smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178146 219094245 /nfs/dbraw/zinc/09/42/45/219094245.db2.gz XBJQBZOXZFLQJW-HDICACEKSA-N 1 0 334.460 2.927 40 0 EFABRO O=S1(=O)CC[C@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000008880122 201763835 /nfs/dbraw/zinc/76/38/35/201763835.db2.gz WBXBKQBYDZUJCB-LBPRGKRZSA-N 1 0 341.379 2.718 40 0 EFABRO CCn1c2cc(C)sc2c2cnn(CC[NH+]3CCCC3)c(=O)c21 ZINC000012142705 201828968 /nfs/dbraw/zinc/82/89/68/201828968.db2.gz ZYOLLSVGEWVKSK-UHFFFAOYSA-N 1 0 330.457 2.837 40 0 EFABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCC[NH2+]C1 ZINC000012157426 201829902 /nfs/dbraw/zinc/82/99/02/201829902.db2.gz HQJWIOJBPGSGDN-LPHOPBHVSA-N 1 0 330.428 2.811 40 0 EFABRO Cc1ccc2c(c1)CN(C(=O)[C@H]1C[C@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000012228251 201834385 /nfs/dbraw/zinc/83/43/85/201834385.db2.gz LWECJDOWUPPAGW-WBVHZDCISA-N 1 0 328.456 2.836 40 0 EFABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292466 201834999 /nfs/dbraw/zinc/83/49/99/201834999.db2.gz COBZOZUKLBCMHH-LJQANCHMSA-N 1 0 345.414 2.851 40 0 EFABRO Cc1ccc2c(c1)CN(C(=O)Cc1ccsc1)[C@@H](C[NH+](C)C)CO2 ZINC000012406619 201845169 /nfs/dbraw/zinc/84/51/69/201845169.db2.gz WAHZDHLWLRFXJU-KRWDZBQOSA-N 1 0 344.480 2.950 40 0 EFABRO FC(F)(F)c1cc(N2CC[NH2+]CC2)nc2nn(C3CCCC3)cc21 ZINC000012398892 282917516 /nfs/dbraw/zinc/91/75/16/282917516.db2.gz SXGDXYOSZBNPNR-UHFFFAOYSA-N 1 0 339.365 2.975 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 ZINC000019238715 202001133 /nfs/dbraw/zinc/00/11/33/202001133.db2.gz USUVGGSUILJEMT-CEXWTWQISA-N 1 0 342.508 2.919 40 0 EFABRO CSc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)cc1 ZINC000019286362 202002684 /nfs/dbraw/zinc/00/26/84/202002684.db2.gz HNLGFJPBYMKRCE-CABCVRRESA-N 1 0 341.480 2.932 40 0 EFABRO O=C(CC1CCCCC1)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019292405 202002945 /nfs/dbraw/zinc/00/29/45/202002945.db2.gz SRSQEVCJZWMZPL-UHFFFAOYSA-N 1 0 342.487 2.799 40 0 EFABRO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](CC2CC2)C1 ZINC000019331702 202003884 /nfs/dbraw/zinc/00/38/84/202003884.db2.gz BHDJNHKPILUUJP-NRFANRHFSA-N 1 0 335.451 2.879 40 0 EFABRO c1csc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c1 ZINC000019343510 202004986 /nfs/dbraw/zinc/00/49/86/202004986.db2.gz VHXTULDTLXDURQ-AWEZNQCLSA-N 1 0 340.456 2.709 40 0 EFABRO O=C(C1CCOCC1)N1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000019372492 202005171 /nfs/dbraw/zinc/00/51/71/202005171.db2.gz QHDBOVHBDMOMLW-VQTJNVASSA-N 1 0 342.483 2.926 40 0 EFABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019345789 202005268 /nfs/dbraw/zinc/00/52/68/202005268.db2.gz JBVCATTYCGLWHJ-BPQIPLTHSA-N 1 0 326.440 2.745 40 0 EFABRO c1ccc(CC[N@@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019371312 202005764 /nfs/dbraw/zinc/00/57/64/202005764.db2.gz BFXMYCRQNVCWFB-SFHVURJKSA-N 1 0 348.454 2.690 40 0 EFABRO CC(C)[NH+]1CCC(CNC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000019447822 202006992 /nfs/dbraw/zinc/00/69/92/202006992.db2.gz RUCQKCSWZHEILR-UHFFFAOYSA-N 1 0 343.471 2.664 40 0 EFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]1C)Cc1ccccc1O2 ZINC000019495831 202008807 /nfs/dbraw/zinc/00/88/07/202008807.db2.gz RULZVUCBNCEQOK-UVYBKSOCSA-N 1 0 328.456 2.964 40 0 EFABRO CC1CC[NH+](CCNC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000019496904 202008852 /nfs/dbraw/zinc/00/88/52/202008852.db2.gz KULWVBIMKSAROD-UHFFFAOYSA-N 1 0 348.472 2.579 40 0 EFABRO CCc1ncc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)cn1 ZINC000019523436 202010037 /nfs/dbraw/zinc/01/00/37/202010037.db2.gz VVQHOLSGJQWGHT-UHFFFAOYSA-N 1 0 336.483 2.888 40 0 EFABRO COc1cccc(-c2ocnc2C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000019566513 202010828 /nfs/dbraw/zinc/01/08/28/202010828.db2.gz YWBCRRVGEYZVOY-UHFFFAOYSA-N 1 0 343.427 2.956 40 0 EFABRO COc1ccc(C(=O)N2CCC[C@H](c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC000019561861 202011696 /nfs/dbraw/zinc/01/16/96/202011696.db2.gz IGKRVAFDOHQOIC-AWEZNQCLSA-N 1 0 336.395 2.986 40 0 EFABRO C[NH+](C)CCN(Cc1ccc2c(c1)OCO2)C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000019582567 202012364 /nfs/dbraw/zinc/01/23/64/202012364.db2.gz HJZSKXWSAJSZGL-MCPYQZEQSA-N 1 0 344.455 2.742 40 0 EFABRO CC(C)n1cc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)c2ccccc21 ZINC000019575322 202013912 /nfs/dbraw/zinc/01/39/12/202013912.db2.gz JXEUDKUXUWNLLD-KBAYOESNSA-N 1 0 327.472 2.862 40 0 EFABRO Cc1cc(C)n(C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000019573643 202014171 /nfs/dbraw/zinc/01/41/71/202014171.db2.gz BGOAWUGSHNHXBH-LPHOPBHVSA-N 1 0 340.471 2.842 40 0 EFABRO Fc1ccc2ccc(NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)nc2c1 ZINC000096427305 283009945 /nfs/dbraw/zinc/00/99/45/283009945.db2.gz RULUYJCLMMASKC-QAPCUYQASA-N 1 0 345.418 2.523 40 0 EFABRO Cc1nc(C2CC[NH+](CCCc3ccccc3)CC2)ncc1C(N)=O ZINC000019753291 202019968 /nfs/dbraw/zinc/01/99/68/202019968.db2.gz ZRNHCRABDADZBW-UHFFFAOYSA-N 1 0 338.455 2.696 40 0 EFABRO CCNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241771 202036701 /nfs/dbraw/zinc/03/67/01/202036701.db2.gz QKELWWBDKCIQOK-UHFFFAOYSA-N 1 0 337.467 2.754 40 0 EFABRO Cc1ccc(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1F ZINC000022038313 202077570 /nfs/dbraw/zinc/07/75/70/202077570.db2.gz XEJRWXMQAKGFLB-GOSISDBHSA-N 1 0 329.419 2.965 40 0 EFABRO COc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000022695543 202089739 /nfs/dbraw/zinc/08/97/39/202089739.db2.gz ZZRJHAODNRPIFA-UHFFFAOYSA-N 1 0 334.460 2.629 40 0 EFABRO O=S(=O)(Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000026843390 202148657 /nfs/dbraw/zinc/14/86/57/202148657.db2.gz UFVUHAQNBFDKQP-UHFFFAOYSA-N 1 0 344.480 2.902 40 0 EFABRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000040013509 202166745 /nfs/dbraw/zinc/16/67/45/202166745.db2.gz BDNZQEFXDKBMTH-QUCCMNQESA-N 1 0 336.435 2.943 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccsc3)cc2)CC1 ZINC000040115281 202171470 /nfs/dbraw/zinc/17/14/70/202171470.db2.gz MRAZPONPVHJTIV-UHFFFAOYSA-N 1 0 343.496 2.816 40 0 EFABRO Cc1sc2ncnc(NCC(C)(C)[NH+]3CCN(C)CC3)c2c1C ZINC000029839763 202191044 /nfs/dbraw/zinc/19/10/44/202191044.db2.gz QMWQCRIRQRVHLL-UHFFFAOYSA-N 1 0 333.505 2.746 40 0 EFABRO C[NH+](C)CCCNC(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000032610804 212817917 /nfs/dbraw/zinc/81/79/17/212817917.db2.gz TWSKFTAWHHRQOT-UHFFFAOYSA-N 1 0 338.354 2.818 40 0 EFABRO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000189717915 237177343 /nfs/dbraw/zinc/17/73/43/237177343.db2.gz OHGJXMYSSRTWNG-RHSMWYFYSA-N 1 0 331.464 2.946 40 0 EFABRO COc1ccccc1C[N@H+](CCCn1ccnc1)C[C@H]1CCOC1 ZINC000036740326 202331093 /nfs/dbraw/zinc/33/10/93/202331093.db2.gz QNRSXRZQERTLCZ-QGZVFWFLSA-N 1 0 329.444 2.821 40 0 EFABRO CCn1nc(C)c(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000071195402 202341711 /nfs/dbraw/zinc/34/17/11/202341711.db2.gz PGYKTHZOIPLOPE-UHFFFAOYSA-N 1 0 334.508 2.878 40 0 EFABRO CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000072555529 202365272 /nfs/dbraw/zinc/36/52/72/202365272.db2.gz SHPNXLMLKGEPAA-UHFFFAOYSA-N 1 0 349.434 2.923 40 0 EFABRO O=c1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccn12 ZINC000072867373 202368920 /nfs/dbraw/zinc/36/89/20/202368920.db2.gz VEOCNSWWVMSCTL-RBUKOAKNSA-N 1 0 349.434 2.783 40 0 EFABRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)c1 ZINC000075838974 202378114 /nfs/dbraw/zinc/37/81/14/202378114.db2.gz OBQXZGQUEKLGRG-IBGZPJMESA-N 1 0 338.455 2.601 40 0 EFABRO Cc1cccc(C(=O)Nc2ccc(CC[NH+]3CCC(O)CC3)cc2)n1 ZINC000075415564 202380901 /nfs/dbraw/zinc/38/09/01/202380901.db2.gz QTEQWTLXICRQJY-UHFFFAOYSA-N 1 0 339.439 2.642 40 0 EFABRO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)Nc1cccnc1 ZINC000075543294 202380933 /nfs/dbraw/zinc/38/09/33/202380933.db2.gz QACISWDCCCKRKU-UHFFFAOYSA-N 1 0 340.427 2.725 40 0 EFABRO Cc1occc1C(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000075415725 202380948 /nfs/dbraw/zinc/38/09/48/202380948.db2.gz SNKDIUWZTSUPTB-UHFFFAOYSA-N 1 0 328.412 2.840 40 0 EFABRO CCOc1ccccc1OCC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000075738286 202382709 /nfs/dbraw/zinc/38/27/09/202382709.db2.gz OLMGAPVXNDGHGC-INIZCTEOSA-N 1 0 332.444 2.551 40 0 EFABRO COc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)cc1O ZINC000078552757 202395948 /nfs/dbraw/zinc/39/59/48/202395948.db2.gz XZOYNEMONYWAFP-UHFFFAOYSA-N 1 0 333.359 2.739 40 0 EFABRO Clc1cccc([C@@H](C[NH2+]Cc2cccnc2)N2CCOCC2)c1 ZINC000078553694 202396380 /nfs/dbraw/zinc/39/63/80/202396380.db2.gz CIWRHUXTIOENBN-GOSISDBHSA-N 1 0 331.847 2.898 40 0 EFABRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000078610607 202397511 /nfs/dbraw/zinc/39/75/11/202397511.db2.gz BEDBXKQVSMMIDF-MRXNPFEDSA-N 1 0 336.863 2.705 40 0 EFABRO COc1ccccc1C[C@@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000078656032 202398155 /nfs/dbraw/zinc/39/81/55/202398155.db2.gz MUVPLEBOSVLKNC-SJLPKXTDSA-N 1 0 330.472 2.961 40 0 EFABRO C[NH+](C)C1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000078657303 202398235 /nfs/dbraw/zinc/39/82/35/202398235.db2.gz IYVGCAXWWZYJCZ-UHFFFAOYSA-N 1 0 345.306 2.996 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCn1ccnc1 ZINC000076387731 202387268 /nfs/dbraw/zinc/38/72/68/202387268.db2.gz CZVSGWYSUOBCKO-GOSISDBHSA-N 1 0 340.471 2.786 40 0 EFABRO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000076981454 202389418 /nfs/dbraw/zinc/38/94/18/202389418.db2.gz OEZHILIETPXKMN-WFASDCNBSA-N 1 0 336.505 2.947 40 0 EFABRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1c(F)cccc1F ZINC000079335674 202432920 /nfs/dbraw/zinc/43/29/20/202432920.db2.gz PEHATEOYRXYVSL-UHFFFAOYSA-N 1 0 345.393 2.797 40 0 EFABRO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000226751662 201038523 /nfs/dbraw/zinc/03/85/23/201038523.db2.gz KGTLYBBHWIXHSZ-RTBURBONSA-N 1 0 337.423 2.929 40 0 EFABRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(Cl)c1 ZINC000188435535 201045943 /nfs/dbraw/zinc/04/59/43/201045943.db2.gz UXOOJIHZEKXGIU-UONOGXRCSA-N 1 0 342.892 2.899 40 0 EFABRO C[C@H](C(=O)N1CCc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439390 212519977 /nfs/dbraw/zinc/51/99/77/212519977.db2.gz MICRESPWJUYESG-QGZVFWFLSA-N 1 0 341.499 2.915 40 0 EFABRO COc1ccc(CN2C[C@@H]3C[N@H+](CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186350 /nfs/dbraw/zinc/18/63/50/201186350.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 1 0 345.531 2.932 40 0 biogenic,in-vitro EFABRO COCc1cc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)ccc1F ZINC000276412100 201296331 /nfs/dbraw/zinc/29/63/31/201296331.db2.gz BJHALZORJNYEMO-UHFFFAOYSA-N 1 0 342.414 2.590 40 0 EFABRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)nn1 ZINC000283227330 201329168 /nfs/dbraw/zinc/32/91/68/201329168.db2.gz TYUVCSSWBHVCSL-JKSUJKDBSA-N 1 0 331.416 2.947 40 0 EFABRO COc1ccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)nn1 ZINC000283323358 201330269 /nfs/dbraw/zinc/33/02/69/201330269.db2.gz ZVBYLBVOOFSRIR-SFHVURJKSA-N 1 0 327.428 2.747 40 0 EFABRO COc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032896 201363581 /nfs/dbraw/zinc/36/35/81/201363581.db2.gz UAFWRUVIBPKRQZ-VQIMIIECSA-N 1 0 340.471 2.828 40 0 EFABRO Cc1cc(NCc2cncn2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679273 239248740 /nfs/dbraw/zinc/24/87/40/239248740.db2.gz JFOHZIVSAHAOOW-UHFFFAOYSA-N 1 0 327.476 2.871 40 0 EFABRO OCC[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000023468979 212378165 /nfs/dbraw/zinc/37/81/65/212378165.db2.gz LEDPMRBLOVESQL-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO COCC[NH+]1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 ZINC000023127926 212352771 /nfs/dbraw/zinc/35/27/71/212352771.db2.gz WVLHDEGIPPQJGD-UHFFFAOYSA-N 1 0 328.815 2.567 40 0 EFABRO Cc1cccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022914705 212333700 /nfs/dbraw/zinc/33/37/00/212333700.db2.gz ZRPSVMMNCZNCST-UHFFFAOYSA-N 1 0 348.450 2.549 40 0 EFABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2ccccc2Cl)cn1 ZINC000257339433 240312512 /nfs/dbraw/zinc/31/25/12/240312512.db2.gz ZBSIOIQMGFBKIE-UHFFFAOYSA-N 1 0 340.814 2.914 40 0 EFABRO C[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000022191508 212281751 /nfs/dbraw/zinc/28/17/51/212281751.db2.gz UNDDCZMQPDTHPR-HNNXBMFYSA-N 1 0 342.270 2.961 40 0 EFABRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)[C@@H](C)C1 ZINC000195552124 241002256 /nfs/dbraw/zinc/00/22/56/241002256.db2.gz GOJPLOCNCHZUAO-YOEHRIQHSA-N 1 0 333.476 2.788 40 0 EFABRO FC(F)(F)CCN1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000195556413 241004091 /nfs/dbraw/zinc/00/40/91/241004091.db2.gz CUZUANDLKFMEMY-HNNXBMFYSA-N 1 0 328.378 2.997 40 0 EFABRO C[C@@H](CC(N)=O)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000195560890 241010418 /nfs/dbraw/zinc/01/04/18/241010418.db2.gz RTAAGJMOAPGYRO-NSHDSACASA-N 1 0 344.286 2.811 40 0 EFABRO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022029783 212272949 /nfs/dbraw/zinc/27/29/49/212272949.db2.gz AJSDXPFEUQMXMR-UZLBHIALSA-N 1 0 337.467 2.857 40 0 EFABRO CC(=O)c1ccc(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC000022030006 212272789 /nfs/dbraw/zinc/27/27/89/212272789.db2.gz GUJKJEIBMNQZDX-IBGZPJMESA-N 1 0 339.439 2.720 40 0 EFABRO [NH3+][C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218637812 241334816 /nfs/dbraw/zinc/33/48/16/241334816.db2.gz CNJSFLJDHFMEFR-ZNMIVQPWSA-N 1 0 325.792 2.746 40 0 EFABRO [NH3+][C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218637898 241335079 /nfs/dbraw/zinc/33/50/79/241335079.db2.gz CNJSFLJDHFMEFR-KKUMJFAQSA-N 1 0 325.792 2.746 40 0 EFABRO O=C(COc1cccc2c1CCCC2)NCCC[NH+]1CCCCC1 ZINC000223091363 241599648 /nfs/dbraw/zinc/59/96/48/241599648.db2.gz UNXMXSOYAUELHA-UHFFFAOYSA-N 1 0 330.472 2.936 40 0 EFABRO O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000225470406 241880829 /nfs/dbraw/zinc/88/08/29/241880829.db2.gz QXXJKZBAXZJDQX-LBPRGKRZSA-N 1 0 337.261 2.597 40 0 EFABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccccc1F ZINC000225566095 241929434 /nfs/dbraw/zinc/92/94/34/241929434.db2.gz GIGUQSDWULUVAK-UHFFFAOYSA-N 1 0 335.423 2.838 40 0 EFABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225736051 242010853 /nfs/dbraw/zinc/01/08/53/242010853.db2.gz SJUXYZBSFWSKSO-CYBMUJFWSA-N 1 0 335.473 2.824 40 0 EFABRO Cc1cc(C)cc([C@H](O)CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000225759199 242020233 /nfs/dbraw/zinc/02/02/33/242020233.db2.gz DCMWURAYZZWYCG-NKELODKYSA-N 1 0 347.503 2.756 40 0 EFABRO Fc1cccnc1OC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000225773071 242028276 /nfs/dbraw/zinc/02/82/76/242028276.db2.gz FDPXZGLDKNNYGF-QGZVFWFLSA-N 1 0 338.423 2.997 40 0 EFABRO CCCc1nnc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000226751531 242113044 /nfs/dbraw/zinc/11/30/44/242113044.db2.gz WCHLFBAYCSVPQD-ZIAGYGMSSA-N 1 0 330.457 2.775 40 0 EFABRO C[N@@H+]1C[C@H](C(=O)NCCc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000230104481 242231933 /nfs/dbraw/zinc/23/19/33/242231933.db2.gz QCHFRUNUBBOCPV-ROUUACIJSA-N 1 0 326.415 2.830 40 0 EFABRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000241816011 243003398 /nfs/dbraw/zinc/00/33/98/243003398.db2.gz SEWGCOZXHISKGV-QGZVFWFLSA-N 1 0 346.814 2.770 40 0 EFABRO Cc1nsc(N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000242346994 243020000 /nfs/dbraw/zinc/02/00/00/243020000.db2.gz ZKXPETXMHOPZPO-QGZVFWFLSA-N 1 0 346.500 2.728 40 0 EFABRO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000020543762 212146199 /nfs/dbraw/zinc/14/61/99/212146199.db2.gz PPOCCALEXFNAMI-UHFFFAOYSA-N 1 0 331.416 2.565 40 0 EFABRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)n(C)n1 ZINC000249188628 243671768 /nfs/dbraw/zinc/67/17/68/243671768.db2.gz MOCVSRPXGNEEGS-UPJWGTAASA-N 1 0 344.381 2.545 40 0 EFABRO CCC1(CNC(=O)c2ccnnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000253415265 243933742 /nfs/dbraw/zinc/93/37/42/243933742.db2.gz RPNHASVRNJXHAF-UHFFFAOYSA-N 1 0 338.455 2.899 40 0 EFABRO Brc1ccnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000253427977 243971790 /nfs/dbraw/zinc/97/17/90/243971790.db2.gz BXEHJDQUSBCYQJ-GFCCVEGCSA-N 1 0 340.265 2.757 40 0 EFABRO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000091335808 203073619 /nfs/dbraw/zinc/07/36/19/203073619.db2.gz SXOLMUXPKFXFCP-UKRRQHHQSA-N 1 0 346.452 2.551 40 0 EFABRO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000091335806 203074287 /nfs/dbraw/zinc/07/42/87/203074287.db2.gz SXOLMUXPKFXFCP-DZGCQCFKSA-N 1 0 346.452 2.551 40 0 EFABRO Fc1ccc(OCCN2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000091676193 203075364 /nfs/dbraw/zinc/07/53/64/203075364.db2.gz YLJBMXFCYCNCCP-AWEZNQCLSA-N 1 0 342.842 2.512 40 0 EFABRO C[C@H]1C[NH+](CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@H](C)O1 ZINC000091478557 203075861 /nfs/dbraw/zinc/07/58/61/203075861.db2.gz AXMATYLRYYJTOV-QWRGUYRKSA-N 1 0 346.447 2.801 40 0 EFABRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@H](C)O1 ZINC000091478551 203076043 /nfs/dbraw/zinc/07/60/43/203076043.db2.gz AXMATYLRYYJTOV-PHIMTYICSA-N 1 0 346.447 2.801 40 0 EFABRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1nccs1 ZINC000091727188 203076185 /nfs/dbraw/zinc/07/61/85/203076185.db2.gz JEHZMIAFPJEELT-JOYOIKCWSA-N 1 0 340.832 2.952 40 0 EFABRO Cc1cc(F)ccc1C[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000091921203 203078915 /nfs/dbraw/zinc/07/89/15/203078915.db2.gz IVSOHUQBXZQAJS-HOTGVXAUSA-N 1 0 348.462 2.982 40 0 EFABRO c1cc2n(c1)C[C@H](OCc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588481 244024710 /nfs/dbraw/zinc/02/47/10/244024710.db2.gz FERCLAANGGFDCA-HXUWFJFHSA-N 1 0 341.455 2.711 40 0 EFABRO CC(C)Cc1nsc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000253630083 244042285 /nfs/dbraw/zinc/04/22/85/244042285.db2.gz AKTKPKTVSJGYAP-HUUCEWRRSA-N 1 0 338.521 2.916 40 0 EFABRO Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257206794 244135464 /nfs/dbraw/zinc/13/54/64/244135464.db2.gz BEXFZPSNRGJVMI-GOSISDBHSA-N 1 0 341.459 2.503 40 0 EFABRO C[N@@H+]1CCCN(C(=O)c2ccnc(Cc3ccc(F)cc3)c2)CC1 ZINC000257200431 244118113 /nfs/dbraw/zinc/11/81/13/244118113.db2.gz ADHWVRWWERUXGZ-UHFFFAOYSA-N 1 0 327.403 2.589 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3ccccc3OC)CCO2)c1 ZINC000257200745 244119105 /nfs/dbraw/zinc/11/91/05/244119105.db2.gz AETAUBRFUIINKG-GOSISDBHSA-N 1 0 341.411 2.654 40 0 EFABRO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1nccnc1-c1nccn1C ZINC000257201206 244120759 /nfs/dbraw/zinc/12/07/59/244120759.db2.gz AGTMHLQEZWVGIX-CYBMUJFWSA-N 1 0 340.456 2.979 40 0 EFABRO CC(=O)N[C@@H]1C[C@H](c2ccc(OCC[NH+](C)C)cc2)O[C@@H]2CCC[C@H]21 ZINC000257203046 244124357 /nfs/dbraw/zinc/12/43/57/244124357.db2.gz AOKQAWWSQDTFBB-MTQWCTHYSA-N 1 0 346.471 2.762 40 0 EFABRO Cn1cncc1C[N@@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257208617 244143200 /nfs/dbraw/zinc/14/32/00/244143200.db2.gz BMWNIPNIUJTYOX-OAHLLOKOSA-N 1 0 325.412 2.857 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)[nH+]1 ZINC000257215004 244163317 /nfs/dbraw/zinc/16/33/17/244163317.db2.gz COGUSOFBGDSDJK-GOSISDBHSA-N 1 0 343.402 2.809 40 0 EFABRO CCc1noc(C)c1C(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257217206 244170160 /nfs/dbraw/zinc/17/01/60/244170160.db2.gz CYABMYAVXZVDAD-KRWDZBQOSA-N 1 0 342.443 2.979 40 0 EFABRO c1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257223862 244193860 /nfs/dbraw/zinc/19/38/60/244193860.db2.gz DZGABJJSFFZRMX-UHFFFAOYSA-N 1 0 340.456 2.778 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257224660 244195341 /nfs/dbraw/zinc/19/53/41/244195341.db2.gz FCTQRARCFMVGIT-MRXNPFEDSA-N 1 0 331.391 2.630 40 0 EFABRO CNc1ncccc1CN1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257224847 244197637 /nfs/dbraw/zinc/19/76/37/244197637.db2.gz FDQYFOXPILTQMB-QGZVFWFLSA-N 1 0 340.475 2.620 40 0 EFABRO C[C@]12CC[N@H+](CCOc3cccc(C(F)(F)F)c3)[C@H]1CCC(=O)N2 ZINC000257226509 244202073 /nfs/dbraw/zinc/20/20/73/244202073.db2.gz FKWXRWIPONXWJC-HOCLYGCPSA-N 1 0 342.361 2.827 40 0 EFABRO Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@@H+]4C)cn21 ZINC000257220067 244182352 /nfs/dbraw/zinc/18/23/52/244182352.db2.gz DJJSSUBZSNOMHL-REGYPHIPSA-N 1 0 338.455 2.730 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000072369999 203209616 /nfs/dbraw/zinc/20/96/16/203209616.db2.gz QAKMIBKMCOXKBF-CYBMUJFWSA-N 1 0 332.835 2.754 40 0 EFABRO Cc1cccnc1Nc1cccc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072375451 203209741 /nfs/dbraw/zinc/20/97/41/203209741.db2.gz FAFGZDCGEZLMFB-INIZCTEOSA-N 1 0 339.443 2.754 40 0 EFABRO Cc1nc(C[NH+](C)C)cc([C@@H]2CCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072387977 203212450 /nfs/dbraw/zinc/21/24/50/203212450.db2.gz IQGDKRKXUVGWNQ-SFHVURJKSA-N 1 0 342.418 2.502 40 0 EFABRO COCCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000072324583 203200626 /nfs/dbraw/zinc/20/06/26/203200626.db2.gz YZIWFRDXIBIWBJ-WMZOPIPTSA-N 1 0 327.472 2.956 40 0 EFABRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)c1F ZINC000257246258 244258517 /nfs/dbraw/zinc/25/85/17/244258517.db2.gz ITICGDSYLDYPLW-VNQPRFMTSA-N 1 0 342.418 2.947 40 0 EFABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)n1 ZINC000072355511 203204090 /nfs/dbraw/zinc/20/40/90/203204090.db2.gz HNERAXXHPDBCMU-SFHVURJKSA-N 1 0 336.443 2.955 40 0 EFABRO CCc1nccn1-c1nccnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000072350566 203204480 /nfs/dbraw/zinc/20/44/80/203204480.db2.gz HZMDXIVQOURJPM-UHFFFAOYSA-N 1 0 348.454 2.999 40 0 EFABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360364 203204699 /nfs/dbraw/zinc/20/46/99/203204699.db2.gz OFVAOTCBTIVOMY-MRXNPFEDSA-N 1 0 340.431 2.635 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363062 203206570 /nfs/dbraw/zinc/20/65/70/203206570.db2.gz SMUBFVOOAOCVJJ-CQSZACIVSA-N 1 0 340.427 2.712 40 0 EFABRO NC(=O)[C@@]1(CCCc2ccccn2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072367237 203207326 /nfs/dbraw/zinc/20/73/26/203207326.db2.gz CLUMCUWEEMTOOK-FQEVSTJZSA-N 1 0 338.455 2.567 40 0 EFABRO Cn1cncc1C[NH+]1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257259541 244294044 /nfs/dbraw/zinc/29/40/44/244294044.db2.gz KYVMALYEHMSTRD-UHFFFAOYSA-N 1 0 349.442 2.728 40 0 EFABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257247030 244261696 /nfs/dbraw/zinc/26/16/96/244261696.db2.gz IXBVPMYUJVTCEN-CQSZACIVSA-N 1 0 338.415 2.536 40 0 EFABRO Cc1cnccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257249979 244264957 /nfs/dbraw/zinc/26/49/57/244264957.db2.gz JKMVBZBMNGNYFF-OALUTQOASA-N 1 0 330.403 2.933 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393211 203212942 /nfs/dbraw/zinc/21/29/42/203212942.db2.gz HCWZKOBMWXMOKV-INIZCTEOSA-N 1 0 347.422 2.607 40 0 EFABRO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC3CC3)CC2)C1 ZINC000072394404 203213146 /nfs/dbraw/zinc/21/31/46/203213146.db2.gz FNVBPBQSYFUAQF-UHFFFAOYSA-N 1 0 328.456 2.981 40 0 EFABRO Cn1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c2nccnc21 ZINC000072393845 203213208 /nfs/dbraw/zinc/21/32/08/203213208.db2.gz BWXMEBICDHBSAB-AWEZNQCLSA-N 1 0 325.391 2.882 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393074 203213296 /nfs/dbraw/zinc/21/32/96/203213296.db2.gz YBFVQCAKRUCDOQ-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO O=C(Nc1nccs1)c1cc([C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000257252328 244272526 /nfs/dbraw/zinc/27/25/26/244272526.db2.gz JUJVOBPZMVJIGV-OAHLLOKOSA-N 1 0 340.408 2.605 40 0 EFABRO CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CC[NH2+]CC1 ZINC000072394328 203214161 /nfs/dbraw/zinc/21/41/61/203214161.db2.gz COESQULDYPJIQA-UHFFFAOYSA-N 1 0 332.375 2.956 40 0 EFABRO Cc1cccc(CCNC(=O)c2cncc([C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000257253900 244275135 /nfs/dbraw/zinc/27/51/35/244275135.db2.gz KASYUSKWCUJFTK-KRWDZBQOSA-N 1 0 338.455 2.567 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2nccnc2[C@H]2CCC[N@@H+](C)C2)s1 ZINC000257258245 244288057 /nfs/dbraw/zinc/28/80/57/244288057.db2.gz KSYKTLLOEAKMAI-LBPRGKRZSA-N 1 0 331.445 2.676 40 0 EFABRO Cc1ccc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257257572 244288083 /nfs/dbraw/zinc/28/80/83/244288083.db2.gz KQEWLRKCJYAFIK-SFHVURJKSA-N 1 0 325.460 2.887 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1 ZINC000257266318 244360260 /nfs/dbraw/zinc/36/02/60/244360260.db2.gz MCMAQIXQRDKBII-AWEZNQCLSA-N 1 0 338.390 2.576 40 0 EFABRO COc1ccccc1CN1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257270830 244377055 /nfs/dbraw/zinc/37/70/55/244377055.db2.gz MVVJHKIMFWYPCK-KRWDZBQOSA-N 1 0 327.428 2.506 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000257260620 244348254 /nfs/dbraw/zinc/34/82/54/244348254.db2.gz LDQQEHAKBPCCLO-CYBMUJFWSA-N 1 0 332.835 2.754 40 0 EFABRO NC(=O)[C@@]1(CCCc2ccccn2)CCC[N@H+](Cc2ccccn2)C1 ZINC000257265020 244357920 /nfs/dbraw/zinc/35/79/20/244357920.db2.gz LWYTYQRXSOZCMB-FQEVSTJZSA-N 1 0 338.455 2.567 40 0 EFABRO CC(C)Cc1cc(C(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257273177 244382670 /nfs/dbraw/zinc/38/26/70/244382670.db2.gz NFOCKYHXPGXXIH-HKUYNNGSSA-N 1 0 332.492 2.708 40 0 EFABRO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)c1cccnc1 ZINC000257278084 244396790 /nfs/dbraw/zinc/39/67/90/244396790.db2.gz OASRRVYWTSDSNF-LFGUQSLTSA-N 1 0 345.487 2.558 40 0 EFABRO COCC[NH+]1[C@@H](C)CN(Cc2cnc(-c3cccnc3)s2)C[C@@H]1C ZINC000093478815 203308091 /nfs/dbraw/zinc/30/80/91/203308091.db2.gz WAXWLPIEPVZGOU-GJZGRUSLSA-N 1 0 346.500 2.746 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130217798 203552186 /nfs/dbraw/zinc/55/21/86/203552186.db2.gz NRQJHCQBBSRBPP-JSGCOSHPSA-N 1 0 336.398 2.725 40 0 EFABRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(c2ncccn2)CC3)cc1 ZINC000096157679 203845429 /nfs/dbraw/zinc/84/54/29/203845429.db2.gz WCFRMCNTMNQMOZ-UHFFFAOYSA-N 1 0 338.455 2.978 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1csnn1)CC2 ZINC000096075288 203825134 /nfs/dbraw/zinc/82/51/34/203825134.db2.gz GUNXQNATNUJCOE-UHFFFAOYSA-N 1 0 347.488 2.774 40 0 EFABRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000096493469 203893240 /nfs/dbraw/zinc/89/32/40/203893240.db2.gz LGMYJLYHTIZIQE-BNOWGMLFSA-N 1 0 329.366 2.876 40 0 EFABRO O=C(Cc1ccccn1)N1CCC2(CCC[N@@H+]2CC2CCC2)CC1 ZINC000096159394 203848632 /nfs/dbraw/zinc/84/86/32/203848632.db2.gz GFNLIULGNZTYBX-UHFFFAOYSA-N 1 0 327.472 2.881 40 0 EFABRO CC(C)NC(=O)C[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096221947 203874814 /nfs/dbraw/zinc/87/48/14/203874814.db2.gz AJQVDFDCTOFABS-SFHVURJKSA-N 1 0 330.472 2.972 40 0 EFABRO Cc1ccc(Nc2ncnc3c2CC[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000096255827 203885123 /nfs/dbraw/zinc/88/51/23/203885123.db2.gz WQIPOSCXOAZSCC-MRXNPFEDSA-N 1 0 338.455 2.966 40 0 EFABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000096486631 203891752 /nfs/dbraw/zinc/89/17/52/203891752.db2.gz LSOZTCQXSJLKQW-GUYCJALGSA-N 1 0 344.459 2.533 40 0 EFABRO O=C(c1cccc(F)c1)N1CCC2(CC([NH+]3CCOCC3)C2)CC1 ZINC000107193781 204226692 /nfs/dbraw/zinc/22/66/92/204226692.db2.gz XAIVQLLIFKMONS-UHFFFAOYSA-N 1 0 332.419 2.543 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107226330 204227624 /nfs/dbraw/zinc/22/76/24/204227624.db2.gz PZKZPORFVLMSDI-PBHICJAKSA-N 1 0 330.457 2.692 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000107226226 204228123 /nfs/dbraw/zinc/22/81/23/204228123.db2.gz SGPXYXMELVKMCZ-KDOFPFPSSA-N 1 0 346.406 2.671 40 0 EFABRO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@H]2CCN1Cc1ccncc1 ZINC000107254388 204229733 /nfs/dbraw/zinc/22/97/33/204229733.db2.gz RYNLUJVHOCQDOL-WBVHZDCISA-N 1 0 327.453 2.624 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)o1 ZINC000107728555 204245185 /nfs/dbraw/zinc/24/51/85/204245185.db2.gz CEUJYYKUQVHSDF-RDTXWAMCSA-N 1 0 331.391 2.968 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cn1 ZINC000107712125 204245942 /nfs/dbraw/zinc/24/59/42/204245942.db2.gz ADQWHPHVUMRGFK-PMACEKPBSA-N 1 0 347.503 2.998 40 0 EFABRO Clc1cncc(C[N@@H+]2CCC3(CC(Nc4ncccn4)C3)C2)c1 ZINC000108526243 204265215 /nfs/dbraw/zinc/26/52/15/204265215.db2.gz WIBBZVGOTDHRLN-UHFFFAOYSA-N 1 0 329.835 2.992 40 0 EFABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000108525253 204265247 /nfs/dbraw/zinc/26/52/47/204265247.db2.gz QIYJJGHYXLKIJP-UHFFFAOYSA-N 1 0 337.414 2.981 40 0 EFABRO COc1ccc(C[NH+]2CCC3(CC(NC(=O)N(C)C)C3)CC2)cc1 ZINC000108533224 204265627 /nfs/dbraw/zinc/26/56/27/204265627.db2.gz FDBFPDWZNIIYEZ-UHFFFAOYSA-N 1 0 331.460 2.711 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532091 204266059 /nfs/dbraw/zinc/26/60/59/204266059.db2.gz LOQWFVZBCMTYCW-QAPCUYQASA-N 1 0 349.425 2.860 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000108528759 204266230 /nfs/dbraw/zinc/26/62/30/204266230.db2.gz QOLSYEQQKSEEJX-SJLPKXTDSA-N 1 0 349.425 2.860 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000108533290 204266349 /nfs/dbraw/zinc/26/63/49/204266349.db2.gz MFUPHFMPOXFAMN-FUHWJXTLSA-N 1 0 349.425 2.988 40 0 EFABRO CC1(C)Cc2cc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)ccc2O1 ZINC000109070792 204276479 /nfs/dbraw/zinc/27/64/79/204276479.db2.gz LTFAINHSRBCMIB-QGZVFWFLSA-N 1 0 338.455 2.949 40 0 EFABRO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000048326066 204345145 /nfs/dbraw/zinc/34/51/45/204345145.db2.gz DTESLWMZJDAFSF-KRWDZBQOSA-N 1 0 333.407 2.891 40 0 EFABRO CC(C)[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)[NH+]1CCCCC1 ZINC000048301464 204345742 /nfs/dbraw/zinc/34/57/42/204345742.db2.gz GAQJNQLSONIPGZ-CXAGYDPISA-N 1 0 345.443 2.855 40 0 EFABRO CC(C)[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)[NH+]1CCCCC1 ZINC000048301466 204346802 /nfs/dbraw/zinc/34/68/02/204346802.db2.gz GAQJNQLSONIPGZ-SUMWQHHRSA-N 1 0 345.443 2.855 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCO2)C1 ZINC000048884547 204356255 /nfs/dbraw/zinc/35/62/55/204356255.db2.gz AYKMYCWTZDMWQL-FCEWJHQRSA-N 1 0 330.472 2.960 40 0 EFABRO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1CC[NH+](C)CC1 ZINC000226331086 205128612 /nfs/dbraw/zinc/12/86/12/205128612.db2.gz GXGKTNJUTYSHCQ-UHFFFAOYSA-N 1 0 342.418 2.720 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1C ZINC000005015114 205746682 /nfs/dbraw/zinc/74/66/82/205746682.db2.gz KGAWJQNCPLJPKH-INIZCTEOSA-N 1 0 325.432 2.777 40 0 EFABRO COc1ccc(OCCCC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156353527 206070976 /nfs/dbraw/zinc/07/09/76/206070976.db2.gz HUGZMOGOJGPALP-UHFFFAOYSA-N 1 0 334.460 2.702 40 0 EFABRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1 ZINC000002510597 206384659 /nfs/dbraw/zinc/38/46/59/206384659.db2.gz WSJKYVHGUCIGPN-HNNXBMFYSA-N 1 0 336.432 2.752 40 0 EFABRO COc1ccccc1C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000095393501 218325400 /nfs/dbraw/zinc/32/54/00/218325400.db2.gz PKCDYKBUNJFTLZ-UHFFFAOYSA-N 1 0 343.471 2.653 40 0 EFABRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000095416615 218355419 /nfs/dbraw/zinc/35/54/19/218355419.db2.gz VCBUIUFDCRSZQI-QGZVFWFLSA-N 1 0 339.487 2.696 40 0 EFABRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)NC1(CO)CCCC1 ZINC000095416123 218355213 /nfs/dbraw/zinc/35/52/13/218355213.db2.gz PXLJBQQWKWKCOY-UHFFFAOYSA-N 1 0 337.508 2.635 40 0 EFABRO CC[C@@H](CNC(=O)C1CC[NH2+]CC1)Oc1cccc(C(F)(F)F)c1 ZINC000095426570 218368443 /nfs/dbraw/zinc/36/84/43/218368443.db2.gz HEUVBIDQLPCDHW-AWEZNQCLSA-N 1 0 344.377 2.979 40 0 EFABRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)c1ccccc1Br ZINC000095433519 218376095 /nfs/dbraw/zinc/37/60/95/218376095.db2.gz ZDYJBHPNMUHTJP-HNNXBMFYSA-N 1 0 338.249 2.738 40 0 EFABRO CSc1cccc(N(C(=O)c2ccnn2C)C2CC[NH+](C)CC2)c1 ZINC000112247593 220272875 /nfs/dbraw/zinc/27/28/75/220272875.db2.gz GVMZVZFEUJRMCU-UHFFFAOYSA-N 1 0 344.484 2.883 40 0 EFABRO C[NH+]1CCC(C(=O)Nc2ccc(I)cc2)CC1 ZINC000174371884 207016753 /nfs/dbraw/zinc/01/67/53/207016753.db2.gz IKLLBWWPFXVXMC-UHFFFAOYSA-N 1 0 344.196 2.572 40 0 EFABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1C[NH2+]CC1CC1 ZINC000096296027 218740203 /nfs/dbraw/zinc/74/02/03/218740203.db2.gz WPDRACFJKQOJHG-CMKODMSKSA-N 1 0 342.439 2.792 40 0 biogenic,in-vitro EFABRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1sc(C)nc1C ZINC000176504982 207233545 /nfs/dbraw/zinc/23/35/45/207233545.db2.gz RASLEFMJGSYVBU-CABCVRRESA-N 1 0 336.505 2.571 40 0 EFABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)c1ccco1 ZINC000096436072 218814346 /nfs/dbraw/zinc/81/43/46/218814346.db2.gz DCZPKESLTDWGOK-AWEZNQCLSA-N 1 0 328.368 2.551 40 0 EFABRO COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096443464 218824458 /nfs/dbraw/zinc/82/44/58/218824458.db2.gz LMEYPNLYQCYLRF-JQHSSLGASA-N 1 0 332.444 2.769 40 0 EFABRO Cc1nccn1CCC[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000096485962 218862391 /nfs/dbraw/zinc/86/23/91/218862391.db2.gz YJTPYTKLBLTKRT-UHFFFAOYSA-N 1 0 340.471 2.957 40 0 EFABRO COc1ccccc1[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096491635 218868548 /nfs/dbraw/zinc/86/85/48/218868548.db2.gz GFQUEAKWQYVZPD-KMFMINBZSA-N 1 0 325.474 2.744 40 0 EFABRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000096491699 218869219 /nfs/dbraw/zinc/86/92/19/218869219.db2.gz UNOBETPBVCWCRN-HOTGVXAUSA-N 1 0 331.522 2.775 40 0 EFABRO C[N@@H+](Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCOC1 ZINC000097379062 219020521 /nfs/dbraw/zinc/02/05/21/219020521.db2.gz DZQDATOXPUTRJZ-NSHDSACASA-N 1 0 326.234 2.852 40 0 EFABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216310 257688283 /nfs/dbraw/zinc/68/82/83/257688283.db2.gz XNGGSATWZRAWNC-MRXNPFEDSA-N 1 0 346.475 2.953 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(Cc2scnc2C)Cc2cncn21 ZINC000306143042 257925134 /nfs/dbraw/zinc/92/51/34/257925134.db2.gz XRONDQFKUSUKSV-HNNXBMFYSA-N 1 0 333.505 2.937 40 0 EFABRO CO[C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000190200776 533333821 /nfs/dbraw/zinc/33/38/21/533333821.db2.gz KIGNILFCAYSNBD-ZDUSSCGKSA-N 1 0 339.867 2.639 40 0 EFABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035093006 132389375 /nfs/dbraw/zinc/38/93/75/132389375.db2.gz WERHEAMZFYEFSA-IPELMVKDSA-N 1 0 336.451 2.514 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccs3)cc2N)CC1 ZINC000226263957 135592543 /nfs/dbraw/zinc/59/25/43/135592543.db2.gz BMQGDFJPKZAHRO-UHFFFAOYSA-N 1 0 330.457 2.725 40 0 EFABRO Cc1ccc(C2(C(=O)N(C)CC[NH+]3CCCCC3)CCOCC2)cc1 ZINC000019657469 292089277 /nfs/dbraw/zinc/08/92/77/292089277.db2.gz DEXSWKFQLNLOFJ-UHFFFAOYSA-N 1 0 344.499 2.988 40 0 EFABRO COCc1ccccc1/C=C(\C)CN1CCN(c2cccnn2)CC1 ZINC000351050090 146108217 /nfs/dbraw/zinc/10/82/17/146108217.db2.gz AAVRONLVIZLQHZ-SAPNQHFASA-N 1 0 338.455 2.849 40 0 EFABRO CO[C@H]1CCCOC12CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC000257199806 286043394 /nfs/dbraw/zinc/04/33/94/286043394.db2.gz AAWYIWYMHGHAOI-SFHVURJKSA-N 1 0 346.471 2.548 40 0 EFABRO CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000000571471 286846257 /nfs/dbraw/zinc/84/62/57/286846257.db2.gz SQXKNNSAQFRJHY-JKSUJKDBSA-N 1 0 330.472 2.550 40 0 EFABRO Cc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)o1 ZINC000122699632 222140117 /nfs/dbraw/zinc/14/01/17/222140117.db2.gz KJQCKADAFSSKBG-UHFFFAOYSA-N 1 0 327.428 2.897 40 0 EFABRO FC(F)(F)c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nn1 ZINC000096489036 544559491 /nfs/dbraw/zinc/55/94/91/544559491.db2.gz MEBRCSVGINZYJF-CYBMUJFWSA-N 1 0 344.381 2.577 40 0 EFABRO Cc1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)no1 ZINC000096487573 544559628 /nfs/dbraw/zinc/55/96/28/544559628.db2.gz GCZFCTMEQCXHAP-UHFFFAOYSA-N 1 0 348.834 2.770 40 0 EFABRO C[N@H+](CC1CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000096487660 544559897 /nfs/dbraw/zinc/55/98/97/544559897.db2.gz CXLJIKJABUGWQQ-HNNXBMFYSA-N 1 0 328.250 2.841 40 0 EFABRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000281073785 273397875 /nfs/dbraw/zinc/39/78/75/273397875.db2.gz TYROQWVKWWUKLH-QWHCGFSZSA-N 1 0 331.865 2.664 40 0 EFABRO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000096479151 273766376 /nfs/dbraw/zinc/76/63/76/273766376.db2.gz WZDWGULRTBJRKJ-QQMNAOGKSA-N 1 0 335.517 2.720 40 0 EFABRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1OCC ZINC000286739584 274263202 /nfs/dbraw/zinc/26/32/02/274263202.db2.gz CCRFGCCFSJLSKH-QGZVFWFLSA-N 1 0 346.471 2.928 40 0 EFABRO Cc1cc(N2CC[NH+](C)CC2)n2nc(-c3cccc(F)c3)cc2n1 ZINC000035315231 274706248 /nfs/dbraw/zinc/70/62/48/274706248.db2.gz ZPEHQZIBFKIHEK-UHFFFAOYSA-N 1 0 325.391 2.596 40 0 EFABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096049335 275014266 /nfs/dbraw/zinc/01/42/66/275014266.db2.gz CUQMCLWEGOKZER-UHFFFAOYSA-N 1 0 325.412 2.945 40 0 EFABRO CC(=O)N1CCC([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000090916616 275760049 /nfs/dbraw/zinc/76/00/49/275760049.db2.gz IIEFULJFXVXEPX-ZWKOTPCHSA-N 1 0 335.879 2.686 40 0 EFABRO CCOC(=O)c1cnc2c(cccc2C(C)C)c1N1CC[NH2+]CC1 ZINC000062719811 276302204 /nfs/dbraw/zinc/30/22/04/276302204.db2.gz GHKAZAUACOLJAD-UHFFFAOYSA-N 1 0 327.428 2.945 40 0 EFABRO CCOc1cccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1OC ZINC000007127471 276381946 /nfs/dbraw/zinc/38/19/46/276381946.db2.gz VDTJTAQXLJCUHQ-MRXNPFEDSA-N 1 0 337.383 2.540 40 0 EFABRO C[NH+](C)Cc1cnc(CC2CCN(C(=O)c3ccsc3)CC2)cn1 ZINC000257264862 276813551 /nfs/dbraw/zinc/81/35/51/276813551.db2.gz LWGZFVJJJWMSRH-UHFFFAOYSA-N 1 0 344.484 2.695 40 0 EFABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000067898605 277027227 /nfs/dbraw/zinc/02/72/27/277027227.db2.gz SHDTZDKYXWZTME-SFHVURJKSA-N 1 0 326.444 2.544 40 0 biogenic,in-vitro EFABRO C[N@@H+]1CCN(Cc2nnc(C3CC3)n2C2CC2)[C@H](c2ccccc2)C1 ZINC000181521575 277109844 /nfs/dbraw/zinc/10/98/44/277109844.db2.gz CJVAHPHSTVTSCN-SFHVURJKSA-N 1 0 337.471 2.979 40 0 EFABRO COC(=O)C1=CO[C@H](C)[C@@H]2C[n+]3ccc4c5ccccc5[nH]c4c3C[C@H]12 ZINC000006930975 277311323 /nfs/dbraw/zinc/31/13/23/277311323.db2.gz WYTGDNHDOZPMIW-KCXAZCMYSA-O 1 0 349.410 2.873 40 0 EFABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096070009 279395724 /nfs/dbraw/zinc/39/57/24/279395724.db2.gz HUKMMDZKCQJQPT-OTWHNJEPSA-N 1 0 330.472 2.575 40 0 EFABRO Cc1cc(C(=O)N2Cc3ccnn3[C@H](C[NH+]3CCCC3)C2)sc1C ZINC000253599559 280345638 /nfs/dbraw/zinc/34/56/38/280345638.db2.gz RDALTSKJNZGRTB-MRXNPFEDSA-N 1 0 344.484 2.854 40 0 EFABRO Cc1cc(NCCNC(=S)Nc2ncccn2)c2ccccc2[nH+]1 ZINC000225216640 280626739 /nfs/dbraw/zinc/62/67/39/280626739.db2.gz IMHINFOXUNHYJG-UHFFFAOYSA-N 1 0 338.440 2.732 40 0 EFABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000225495011 281136957 /nfs/dbraw/zinc/13/69/57/281136957.db2.gz YKWHYZJJPVPERI-IBGZPJMESA-N 1 0 337.467 2.560 40 0 biogenic,in-vitro EFABRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000073131178 282040895 /nfs/dbraw/zinc/04/08/95/282040895.db2.gz LASYEKLGEJDPNJ-JKSUJKDBSA-N 1 0 336.863 2.671 40 0 EFABRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000104273652 289332043 /nfs/dbraw/zinc/33/20/43/289332043.db2.gz WFADLTDLKZGSOQ-DYWHQCQKSA-N 1 0 347.503 2.901 40 0 EFABRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000104273647 289332342 /nfs/dbraw/zinc/33/23/42/289332342.db2.gz WFADLTDLKZGSOQ-GQYGNMKRSA-N 1 0 347.503 2.901 40 0 EFABRO C[C@H]1CCCN(c2ccnc3cc(Br)cnc32)[C@@H]1C[NH3+] ZINC000135530598 290454905 /nfs/dbraw/zinc/45/49/05/290454905.db2.gz IKXUHGKTMLNPDL-IINYFYTJSA-N 1 0 335.249 2.956 40 0 EFABRO COc1ccc2c3c1OC1=C[C@H](C(C)(C)O)C=C4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000096316429 295278460 /nfs/dbraw/zinc/27/84/60/295278460.db2.gz JSOHAHOCGKYFFC-MFLXSWDHSA-N 1 0 339.435 2.797 40 0 biogenic,in-vitro EFABRO COc1ccccc1[C@@H]1C[N@H+](CC2(O)CCCCC2)CCN1C(C)=O ZINC000257324210 295391916 /nfs/dbraw/zinc/39/19/16/295391916.db2.gz WNRRLMHFPFJOGI-SFHVURJKSA-N 1 0 346.471 2.596 40 0 EFABRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000096403562 295578765 /nfs/dbraw/zinc/57/87/65/295578765.db2.gz NKYSXQXPUPTEKW-GOSISDBHSA-N 1 0 346.446 2.571 40 0 EFABRO Cc1cc(CCC(=O)NC(C)(C)CO)cc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366896 301269318 /nfs/dbraw/zinc/26/93/18/301269318.db2.gz PVPZSTQPCJTEET-GOSISDBHSA-N 1 0 347.503 2.755 40 0 EFABRO Cc1cc(CCC(=O)NC(C)(C)CO)cc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366895 301269353 /nfs/dbraw/zinc/26/93/53/301269353.db2.gz PVPZSTQPCJTEET-SFHVURJKSA-N 1 0 347.503 2.755 40 0 EFABRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000155760425 302185864 /nfs/dbraw/zinc/18/58/64/302185864.db2.gz MOCQSSHZFYTMEI-HKUYNNGSSA-N 1 0 332.488 2.916 40 0 EFABRO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245316820 302218088 /nfs/dbraw/zinc/21/80/88/302218088.db2.gz KQUQAUJKYOFORL-SJLPKXTDSA-N 1 0 336.501 2.804 40 0 EFABRO OC[C@H]1CCCN(c2cc(N[C@@H]3CCCC(F)(F)C3)ncn2)C1 ZINC000330172169 311308093 /nfs/dbraw/zinc/30/80/93/311308093.db2.gz GDIXWYDDDJORFA-QWHCGFSZSA-N 1 0 326.391 2.675 40 0 EFABRO CCn1nncc1C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000459433115 313106993 /nfs/dbraw/zinc/10/69/93/313106993.db2.gz BLUWKIIXCZXCRN-SNVBAGLBSA-N 1 0 339.237 2.920 40 0 EFABRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230705 323213877 /nfs/dbraw/zinc/21/38/77/323213877.db2.gz HCARPXJLPRLOCA-ZIAGYGMSSA-N 1 0 344.908 2.722 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000097379168 323214758 /nfs/dbraw/zinc/21/47/58/323214758.db2.gz LARVPSPTOGIXDO-UPJWGTAASA-N 1 0 330.432 2.630 40 0 EFABRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122894874 323216322 /nfs/dbraw/zinc/21/63/22/323216322.db2.gz DHSQHJAZLQFJIM-RBSFLKMASA-N 1 0 349.479 2.881 40 0 EFABRO C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)C1CCS(=O)(=O)CC1 ZINC000192727797 323481686 /nfs/dbraw/zinc/48/16/86/323481686.db2.gz BRLYIKBOFQPQSN-ZDUSSCGKSA-N 1 0 347.484 2.674 40 0 EFABRO CCOC[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000081494424 473208785 /nfs/dbraw/zinc/20/87/85/473208785.db2.gz LBWBXGHOSRDOOB-SJORKVTESA-N 1 0 337.508 2.852 40 0 EFABRO CCOC[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000081494423 473208820 /nfs/dbraw/zinc/20/88/20/473208820.db2.gz LBWBXGHOSRDOOB-DLBZAZTESA-N 1 0 337.508 2.852 40 0 EFABRO COc1cc(CCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000095460441 473209012 /nfs/dbraw/zinc/20/90/12/473209012.db2.gz AWTRXSYEDDBVOF-INIZCTEOSA-N 1 0 349.450 2.504 40 0 EFABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(I)cc2)[nH]1 ZINC000095534755 473224227 /nfs/dbraw/zinc/22/42/27/473224227.db2.gz ZPVAUYLSJXSMMT-SNVBAGLBSA-N 1 0 342.184 2.732 40 0 EFABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000081792437 473253332 /nfs/dbraw/zinc/25/33/32/473253332.db2.gz NJNSQGPZYNBBMI-ZDUSSCGKSA-N 1 0 332.444 2.520 40 0 EFABRO O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccsc2)C1 ZINC000096038957 473258067 /nfs/dbraw/zinc/25/80/67/473258067.db2.gz JTMVNNLEECZKPL-DJIMGWMZSA-N 1 0 343.452 2.761 40 0 EFABRO Cc1nc(-c2noc3ccc(C(=O)NCCC[NH+](C)C)cc32)cs1 ZINC000096037866 473258738 /nfs/dbraw/zinc/25/87/38/473258738.db2.gz AKSGGGGGIVQANC-UHFFFAOYSA-N 1 0 344.440 2.941 40 0 EFABRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096037000 473259166 /nfs/dbraw/zinc/25/91/66/473259166.db2.gz WCRAAXFNRAPWBW-UHFFFAOYSA-N 1 0 328.435 2.767 40 0 EFABRO c1cncc(OC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096039992 473259569 /nfs/dbraw/zinc/25/95/69/473259569.db2.gz HVRVWFYCULTIII-UXHICEINSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)nc1 ZINC000096039989 473260118 /nfs/dbraw/zinc/26/01/18/473260118.db2.gz LKBXVLXHHFAEFN-VQTJNVASSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)nc1 ZINC000096039988 473260203 /nfs/dbraw/zinc/26/02/03/473260203.db2.gz LKBXVLXHHFAEFN-WOJBJXKFSA-N 1 0 339.439 2.927 40 0 EFABRO c1cncc(OC[C@]23CCCO[C@H]2CC[N@H+](CC2CCOCC2)C3)c1 ZINC000096040061 473260499 /nfs/dbraw/zinc/26/04/99/473260499.db2.gz YXNOUDZYINEKGT-VQTJNVASSA-N 1 0 346.471 2.758 40 0 EFABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040671 473261258 /nfs/dbraw/zinc/26/12/58/473261258.db2.gz MFOMPQVJNWRSBT-DBVUQKKJSA-N 1 0 341.455 2.786 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000096041145 473261529 /nfs/dbraw/zinc/26/15/29/473261529.db2.gz SJMULVMVLQLBMI-YESZJQIVSA-N 1 0 334.485 2.516 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096040439 473261653 /nfs/dbraw/zinc/26/16/53/473261653.db2.gz IDSAUYJZXLFONT-AZUAARDMSA-N 1 0 346.471 2.758 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)nc1 ZINC000096040347 473261770 /nfs/dbraw/zinc/26/17/70/473261770.db2.gz PSWGALZZAPIARI-AZUAARDMSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096040350 473261935 /nfs/dbraw/zinc/26/19/35/473261935.db2.gz YBAAHNBWFGSKGV-ICSRJNTNSA-N 1 0 339.439 2.927 40 0 EFABRO CN(Cc1ccco1)[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]2CCCO[C@H]12 ZINC000096040678 473262306 /nfs/dbraw/zinc/26/23/06/473262306.db2.gz MNXOIORSYXLJPH-SXLOBPIMSA-N 1 0 348.487 2.617 40 0 EFABRO O=C(NCc1cccs1)[C@H]1C[C@@H]2CC[N@@H+](C3CCCC3)C[C@H]2O1 ZINC000096042800 473265399 /nfs/dbraw/zinc/26/53/99/473265399.db2.gz WQWHUEGMFLBVOU-IAOVAPTHSA-N 1 0 334.485 2.786 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042555 473265947 /nfs/dbraw/zinc/26/59/47/473265947.db2.gz NJADOERGYDHRNC-NUJGCVRESA-N 1 0 345.468 2.795 40 0 EFABRO Cc1nnc([C@@H]2C[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3O2)[nH]1 ZINC000096045885 473267266 /nfs/dbraw/zinc/26/72/66/473267266.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 1 0 335.411 2.623 40 0 EFABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046667 473267902 /nfs/dbraw/zinc/26/79/02/473267902.db2.gz IKQFLBJGTKPZHW-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO O=C(c1ccoc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046958 473269029 /nfs/dbraw/zinc/26/90/29/473269029.db2.gz GXBNSYFJONHKRS-LJQANCHMSA-N 1 0 325.412 2.803 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048336 473271210 /nfs/dbraw/zinc/27/12/10/473271210.db2.gz YCWLQZVJFMNDNN-NVXWUHKLSA-N 1 0 330.457 2.774 40 0 EFABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096048613 473271606 /nfs/dbraw/zinc/27/16/06/473271606.db2.gz LAYPXOUTCWGUNZ-LJQANCHMSA-N 1 0 325.412 2.689 40 0 EFABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](CC1CCOCC1)C2 ZINC000096048765 473271812 /nfs/dbraw/zinc/27/18/12/473271812.db2.gz AXBILVDNNMIDHB-GOSISDBHSA-N 1 0 334.485 2.994 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048353 473272157 /nfs/dbraw/zinc/27/21/57/473272157.db2.gz IYOXGKSTFBAMBO-HKUYNNGSSA-N 1 0 342.418 2.851 40 0 EFABRO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccco2)C3)nn1 ZINC000096048430 473272467 /nfs/dbraw/zinc/27/24/67/473272467.db2.gz HBVANDHTTWTLFS-CRAIPNDOSA-N 1 0 328.416 2.614 40 0 EFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052102 473275124 /nfs/dbraw/zinc/27/51/24/473275124.db2.gz GVFIONZMZNWWGQ-QGZVFWFLSA-N 1 0 334.435 2.579 40 0 EFABRO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096050207 473273378 /nfs/dbraw/zinc/27/33/78/473273378.db2.gz HFMJLHNLRBLXQZ-IBGZPJMESA-N 1 0 341.480 2.671 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccncc3)CC2)N1Cc1ccncc1 ZINC000096049398 473274074 /nfs/dbraw/zinc/27/40/74/473274074.db2.gz AOENNSDZZURRFE-UHFFFAOYSA-N 1 0 336.439 2.634 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049542 473274283 /nfs/dbraw/zinc/27/42/83/473274283.db2.gz NKCJUSHIGMYRGO-LJQANCHMSA-N 1 0 327.428 2.794 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](CC1CCOCC1)C2 ZINC000096050645 473274354 /nfs/dbraw/zinc/27/43/54/473274354.db2.gz QCUBQHUANMLDCE-FQEVSTJZSA-N 1 0 346.446 2.677 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050620 473274464 /nfs/dbraw/zinc/27/44/64/473274464.db2.gz PBBCMYNAENGKCG-GOSISDBHSA-N 1 0 345.443 2.907 40 0 EFABRO O=C([C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2)N1CCCC1 ZINC000096052186 473276194 /nfs/dbraw/zinc/27/61/94/473276194.db2.gz JUJRAZRCDMXFSD-SFHVURJKSA-N 1 0 346.446 2.677 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053896 473276275 /nfs/dbraw/zinc/27/62/75/473276275.db2.gz SCLLUZLHCYEOKB-HOTGVXAUSA-N 1 0 328.387 2.931 40 0 EFABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052101 473277059 /nfs/dbraw/zinc/27/70/59/473277059.db2.gz GVFIONZMZNWWGQ-KRWDZBQOSA-N 1 0 334.435 2.579 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cc1 ZINC000096055895 473279681 /nfs/dbraw/zinc/27/96/81/473279681.db2.gz VOMCWQGSSHVXST-XUVXKRRUSA-N 1 0 340.423 2.506 40 0 EFABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096055909 473278047 /nfs/dbraw/zinc/27/80/47/473278047.db2.gz ZYYHTFJXKAOQCN-ICSRJNTNSA-N 1 0 345.487 2.567 40 0 EFABRO O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096054145 473279903 /nfs/dbraw/zinc/27/99/03/473279903.db2.gz LFYXPLZGRFKCRM-HUUCEWRRSA-N 1 0 345.443 2.876 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057105 473280291 /nfs/dbraw/zinc/28/02/91/473280291.db2.gz OTXDUNHDKRBOJW-LESCRADOSA-N 1 0 334.485 2.658 40 0 EFABRO c1coc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC000096056421 473281139 /nfs/dbraw/zinc/28/11/39/473281139.db2.gz HEMXYVSIMBJYHA-GUDVDZBRSA-N 1 0 335.444 2.845 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)s1 ZINC000096057166 473281307 /nfs/dbraw/zinc/28/13/07/473281307.db2.gz DMMLPDWWTKNFTC-NUJGCVRESA-N 1 0 348.512 2.667 40 0 EFABRO C[C@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1ccsc1)CC2 ZINC000096062242 473285215 /nfs/dbraw/zinc/28/52/15/473285215.db2.gz NXKACAMLEAFCGA-CQSZACIVSA-N 1 0 334.485 2.740 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)cc1 ZINC000096057519 473281431 /nfs/dbraw/zinc/28/14/31/473281431.db2.gz UPODZLHYGFTDAF-BRWVUGGUSA-N 1 0 329.400 2.881 40 0 EFABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096056373 473281490 /nfs/dbraw/zinc/28/14/90/473281490.db2.gz LKLGFQAYSVQUBZ-QRVBRYPASA-N 1 0 327.428 2.538 40 0 EFABRO c1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)nc1 ZINC000096056427 473281648 /nfs/dbraw/zinc/28/16/48/473281648.db2.gz CHLYWWXZRSXVEM-VAMGGRTRSA-N 1 0 346.471 2.647 40 0 EFABRO Fc1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC000096058720 473283761 /nfs/dbraw/zinc/28/37/61/473283761.db2.gz MAXWMUJMJIRRGG-UHFFFAOYSA-N 1 0 326.419 2.817 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCC2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096061161 473285109 /nfs/dbraw/zinc/28/51/09/473285109.db2.gz QXVNFUMUBPUUSF-INIZCTEOSA-N 1 0 334.485 2.788 40 0 EFABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3ccc(F)cc3)CC2)N1 ZINC000096061546 473285488 /nfs/dbraw/zinc/28/54/88/473285488.db2.gz LNQZWAYDGQKROV-SFHVURJKSA-N 1 0 339.414 2.859 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096065530 473286937 /nfs/dbraw/zinc/28/69/37/473286937.db2.gz LBHNCFCVDKDCJH-BRWVUGGUSA-N 1 0 343.452 2.904 40 0 EFABRO COc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC000096064015 473286959 /nfs/dbraw/zinc/28/69/59/473286959.db2.gz KCWJXMHSDQDNCA-RBUKOAKNSA-N 1 0 337.423 2.579 40 0 EFABRO Cn1cc(C[NH+]2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)cn1 ZINC000096073198 473289907 /nfs/dbraw/zinc/28/99/07/473289907.db2.gz UGNFPMSNHOFMIF-SFHVURJKSA-N 1 0 327.428 2.623 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000096064579 473288119 /nfs/dbraw/zinc/28/81/19/473288119.db2.gz FWSIIRAJITWOJY-AQNXPRMDSA-N 1 0 341.455 2.847 40 0 EFABRO COCCO[C@@H]1CC[N@H+](Cc2cccc(C)n2)[C@H]1Cc1ccncc1 ZINC000096069881 473288691 /nfs/dbraw/zinc/28/86/91/473288691.db2.gz CCNIJKMJVPWTTG-VQTJNVASSA-N 1 0 341.455 2.634 40 0 EFABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000096075456 473290325 /nfs/dbraw/zinc/29/03/25/473290325.db2.gz NHDXFJIPSKJPMB-FOIQADDNSA-N 1 0 341.455 2.741 40 0 EFABRO C[NH+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000096075457 473290797 /nfs/dbraw/zinc/29/07/97/473290797.db2.gz NHDXFJIPSKJPMB-YWZLYKJASA-N 1 0 341.455 2.741 40 0 EFABRO Cc1ccccc1C[NH+]1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 ZINC000096080986 473291044 /nfs/dbraw/zinc/29/10/44/473291044.db2.gz NISIFTQRVPZAGW-HOTGVXAUSA-N 1 0 327.453 2.656 40 0 EFABRO Cc1occc1C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096087581 473292961 /nfs/dbraw/zinc/29/29/61/473292961.db2.gz SDMGQKMEXPFXCZ-ZDUSSCGKSA-N 1 0 330.432 2.842 40 0 EFABRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC000096081480 473294062 /nfs/dbraw/zinc/29/40/62/473294062.db2.gz JVVGHHGMZJBBJE-IAGOWNOFSA-N 1 0 326.419 2.882 40 0 EFABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccccn3)C[C@H]12 ZINC000096100389 473296756 /nfs/dbraw/zinc/29/67/56/473296756.db2.gz DPDSYFWIKNYOCV-LEWJYISDSA-N 1 0 335.451 2.846 40 0 EFABRO c1ccc(C[NH+]2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)nc1 ZINC000096106202 473298781 /nfs/dbraw/zinc/29/87/81/473298781.db2.gz ITYDZTWAOWDMGM-GOSISDBHSA-N 1 0 339.439 2.927 40 0 EFABRO c1cncc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)c1 ZINC000096106089 473299092 /nfs/dbraw/zinc/29/90/92/473299092.db2.gz DNVUQOHEAUEJMI-IBGZPJMESA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(C[NH+]2CCC3(CO[C@H](COc4ccccn4)C3)CC2)nc1 ZINC000096106203 473299196 /nfs/dbraw/zinc/29/91/96/473299196.db2.gz ITYDZTWAOWDMGM-SFHVURJKSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107838 473300409 /nfs/dbraw/zinc/30/04/09/473300409.db2.gz ANCCNKHWGCSPNM-PBHICJAKSA-N 1 0 331.441 2.659 40 0 EFABRO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1)C2 ZINC000096107398 473301013 /nfs/dbraw/zinc/30/10/13/473301013.db2.gz FVUCJSTVWAOMGA-APWZRJJASA-N 1 0 343.402 2.818 40 0 EFABRO Fc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC000096108967 473301443 /nfs/dbraw/zinc/30/14/43/473301443.db2.gz XTMIDILHYGEVSR-UYAOXDASSA-N 1 0 342.414 2.886 40 0 EFABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc3ccccc3o1)CC[C@H]2OC ZINC000096108534 473301626 /nfs/dbraw/zinc/30/16/26/473301626.db2.gz LAQBZIRNBGCPRA-ZMSDIMECSA-N 1 0 328.412 2.614 40 0 EFABRO COc1ncccc1C[NH2+]C[C@H]1COCc2nc3ccc(C)cc3n21 ZINC000096112839 473304963 /nfs/dbraw/zinc/30/49/63/473304963.db2.gz KSZOKLLGXJPQNC-HNNXBMFYSA-N 1 0 338.411 2.609 40 0 biogenic,in-vitro EFABRO c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096110404 473303254 /nfs/dbraw/zinc/30/32/54/473303254.db2.gz POVBPWZBTCSEDF-MOPGFXCFSA-N 1 0 328.412 2.872 40 0 EFABRO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)on2)cn1 ZINC000185023972 473303948 /nfs/dbraw/zinc/30/39/48/473303948.db2.gz MZIYYOPIOIVPCF-PBHICJAKSA-N 1 0 342.399 2.756 40 0 EFABRO c1cncc(OC[C@@]23CCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096110374 473304007 /nfs/dbraw/zinc/30/40/07/473304007.db2.gz SGZKZWQFLKWERW-MOPGFXCFSA-N 1 0 325.412 2.537 40 0 EFABRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096159275 473319610 /nfs/dbraw/zinc/31/96/10/473319610.db2.gz ZSODQLGYVHKSJY-UHFFFAOYSA-N 1 0 341.434 2.892 40 0 EFABRO COCCN1CCC2(CC[NH+](Cc3cc(C)cc(C)c3)CC2)C1=O ZINC000096157760 473315864 /nfs/dbraw/zinc/31/58/64/473315864.db2.gz PEIWJZJKRKXKDW-UHFFFAOYSA-N 1 0 330.472 2.764 40 0 EFABRO CCOCC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096157630 473316604 /nfs/dbraw/zinc/31/66/04/473316604.db2.gz ABIODUZREDDOAX-UHFFFAOYSA-N 1 0 330.472 2.846 40 0 EFABRO Fc1cnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)nc1 ZINC000096158050 473317456 /nfs/dbraw/zinc/31/74/56/473317456.db2.gz DXDLKOYJWDPSMG-SFHVURJKSA-N 1 0 327.407 2.503 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC000096158987 473317564 /nfs/dbraw/zinc/31/75/64/473317564.db2.gz JOABSOGVIHIMQD-UHFFFAOYSA-N 1 0 342.443 2.558 40 0 EFABRO O=C(c1cccnc1)N1CCOC2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096158956 473318299 /nfs/dbraw/zinc/31/82/99/473318299.db2.gz WKEGFTYGBREYPN-UHFFFAOYSA-N 1 0 343.471 2.579 40 0 EFABRO Fc1cnc(N2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158307 473318433 /nfs/dbraw/zinc/31/84/33/473318433.db2.gz WNKXQMLUKLXBNG-GOSISDBHSA-N 1 0 327.407 2.503 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCN(c4cncnc4)C3=O)CC2)s1 ZINC000096157912 473318900 /nfs/dbraw/zinc/31/89/00/473318900.db2.gz NOGJBAXPVWVDJC-UHFFFAOYSA-N 1 0 342.468 2.866 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096159657 473319339 /nfs/dbraw/zinc/31/93/39/473319339.db2.gz DOVXFUYXEADFLK-FQEVSTJZSA-N 1 0 339.414 2.845 40 0 EFABRO Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3ccccn3)CC[N@@H+]2C1 ZINC000096183568 473324895 /nfs/dbraw/zinc/32/48/95/473324895.db2.gz MVXXMXUNPGLFGX-RBUKOAKNSA-N 1 0 341.430 2.696 40 0 EFABRO O=C(c1cccc(F)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184445 473325771 /nfs/dbraw/zinc/32/57/71/473325771.db2.gz DHTOENQOHBSDHP-ZWKOTPCHSA-N 1 0 332.419 2.541 40 0 EFABRO Cc1occc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000096184749 473326433 /nfs/dbraw/zinc/32/64/33/473326433.db2.gz LFBWBGWQVQIJOW-ZWKOTPCHSA-N 1 0 325.412 2.780 40 0 EFABRO CC(C)[N@H+](C)C[C@H]1OC[C@@H]2CCN(C(=O)NCc3ccccc3)C[C@@H]21 ZINC000096185412 473326566 /nfs/dbraw/zinc/32/65/66/473326566.db2.gz YAVNEWBXNVILMV-GBESFXJTSA-N 1 0 345.487 2.573 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186129 473326581 /nfs/dbraw/zinc/32/65/81/473326581.db2.gz RYUXWTXWAILVHM-UFYCRDLUSA-N 1 0 339.439 2.815 40 0 EFABRO c1cncc(C[N@H+]2CC[C@@H]3O[C@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000096186098 473326939 /nfs/dbraw/zinc/32/69/39/473326939.db2.gz JMLYYQHUMWALAU-UFYCRDLUSA-N 1 0 346.471 2.647 40 0 EFABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)n1 ZINC000096184193 473327067 /nfs/dbraw/zinc/32/70/67/473327067.db2.gz XKDKAEHIVITBTB-DLBZAZTESA-N 1 0 327.453 2.827 40 0 EFABRO O=C(c1ccccc1F)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184464 473327209 /nfs/dbraw/zinc/32/72/09/473327209.db2.gz AYKDLUCKTDPADG-ZWKOTPCHSA-N 1 0 332.419 2.541 40 0 EFABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21)c1ccco1 ZINC000096185472 473327471 /nfs/dbraw/zinc/32/74/71/473327471.db2.gz NSYVGADPZLYZTJ-YQQAZPJKSA-N 1 0 346.452 2.608 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096186709 473328366 /nfs/dbraw/zinc/32/83/66/473328366.db2.gz CHLYWWXZRSXVEM-AABGKKOBSA-N 1 0 346.471 2.647 40 0 EFABRO Cc1cccc(CO[C@H]2C[N@H+](CC3CCOCC3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096187151 473329348 /nfs/dbraw/zinc/32/93/48/473329348.db2.gz MGUFJSHYUGNURP-AABGKKOBSA-N 1 0 346.471 2.565 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)o1 ZINC000096196710 473332257 /nfs/dbraw/zinc/33/22/57/473332257.db2.gz LXKXSQONELLZMG-UHFFFAOYSA-N 1 0 349.434 2.794 40 0 EFABRO O=C(c1ccc2[nH]ccc2c1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197239 473332602 /nfs/dbraw/zinc/33/26/02/473332602.db2.gz RKOIMHACMKIOLG-UHFFFAOYSA-N 1 0 349.438 2.616 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096200689 473335040 /nfs/dbraw/zinc/33/50/40/473335040.db2.gz RWLYPCDITKTCEZ-OALUTQOASA-N 1 0 329.444 2.934 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)o1 ZINC000096199906 473335125 /nfs/dbraw/zinc/33/51/25/473335125.db2.gz RAZDPOPSJSBQIP-QGZVFWFLSA-N 1 0 325.412 2.621 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)o1 ZINC000096199905 473336178 /nfs/dbraw/zinc/33/61/78/473336178.db2.gz RAZDPOPSJSBQIP-KRWDZBQOSA-N 1 0 325.412 2.621 40 0 EFABRO Cc1cccc(CN2CCOC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)n1 ZINC000096202134 473336861 /nfs/dbraw/zinc/33/68/61/473336861.db2.gz AZZVLKHUSNNHAE-HXUWFJFHSA-N 1 0 341.455 2.708 40 0 EFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C ZINC000096201222 473336911 /nfs/dbraw/zinc/33/69/11/473336911.db2.gz ZIOQJJCCSAJNEC-CQSZACIVSA-N 1 0 346.500 2.931 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2F)[C@H]1Cc1cccnc1 ZINC000096200851 473337191 /nfs/dbraw/zinc/33/71/91/473337191.db2.gz KRTLIXCRMUFTNA-MSOLQXFVSA-N 1 0 327.403 2.608 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096201007 473337684 /nfs/dbraw/zinc/33/76/84/473337684.db2.gz FLYPODCFMJHUEJ-MOPGFXCFSA-N 1 0 341.430 2.537 40 0 EFABRO c1cc(CN2CCOC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096202100 473338070 /nfs/dbraw/zinc/33/80/70/473338070.db2.gz GOFIWLHKZLSECT-IBGZPJMESA-N 1 0 343.496 2.868 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@H]1Cc1ccncc1 ZINC000096201006 473338874 /nfs/dbraw/zinc/33/88/74/473338874.db2.gz KCUNWEUJUVQELL-UXHICEINSA-N 1 0 348.450 2.950 40 0 EFABRO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+](CC3CC3)C2)O1)c1ccsc1 ZINC000096207813 473343263 /nfs/dbraw/zinc/34/32/63/473343263.db2.gz JMKIGXDKVXNKPS-FUHWJXTLSA-N 1 0 334.485 2.902 40 0 EFABRO COC[C@@H]1C(=O)N(c2ccccc2)CC12CC[NH+](C1CCC1)CC2 ZINC000096206149 473340171 /nfs/dbraw/zinc/34/01/71/473340171.db2.gz RVBXTTGYEBZCAF-GOSISDBHSA-N 1 0 328.456 2.931 40 0 EFABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096208184 473343724 /nfs/dbraw/zinc/34/37/24/473343724.db2.gz AAJQEBCHQCWKDK-FUHWJXTLSA-N 1 0 349.500 2.677 40 0 EFABRO CCOC[C@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)[N@@H+]1C ZINC000096206687 473340296 /nfs/dbraw/zinc/34/02/96/473340296.db2.gz QBUMIMSOMYQVLY-GOSISDBHSA-N 1 0 330.472 2.721 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)o1 ZINC000096205762 473340495 /nfs/dbraw/zinc/34/04/95/473340495.db2.gz IPMIQMCOTPFERN-QZTJIDSGSA-N 1 0 325.412 2.749 40 0 EFABRO CCOC[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@@H+]1CC1CC1 ZINC000096206429 473340946 /nfs/dbraw/zinc/34/09/46/473340946.db2.gz OANOYBGFFNACSH-IBGZPJMESA-N 1 0 346.519 2.666 40 0 EFABRO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096206210 473341022 /nfs/dbraw/zinc/34/10/22/473341022.db2.gz ZYRRSLACTMKSED-PMACEKPBSA-N 1 0 339.439 2.817 40 0 EFABRO c1csc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCOCC2)O3)c1 ZINC000096207021 473341761 /nfs/dbraw/zinc/34/17/61/473341761.db2.gz AXDLWAAJHKDVQF-SJLPKXTDSA-N 1 0 336.501 2.594 40 0 EFABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2O1)NCc1ccco1 ZINC000096207696 473342540 /nfs/dbraw/zinc/34/25/40/473342540.db2.gz SPJOIQNLNWSBCH-YSVLISHTSA-N 1 0 346.452 2.637 40 0 EFABRO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096208579 473345006 /nfs/dbraw/zinc/34/50/06/473345006.db2.gz GBXDPMCSQUDHKN-AEFFLSMTSA-N 1 0 332.375 2.874 40 0 EFABRO COC[C@@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096209176 473345042 /nfs/dbraw/zinc/34/50/42/473345042.db2.gz UFLHGPQZISXEQU-QGZVFWFLSA-N 1 0 348.512 2.845 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21)Nc1cccnc1 ZINC000096208674 473345495 /nfs/dbraw/zinc/34/54/95/473345495.db2.gz IDNVGSQIPKAFTO-KBAYOESNSA-N 1 0 341.411 2.540 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]12)N1CCCC1 ZINC000096209127 473345749 /nfs/dbraw/zinc/34/57/49/473345749.db2.gz ZMVACJKZOQNMGG-BRWVUGGUSA-N 1 0 334.485 2.598 40 0 EFABRO Cc1noc([C@H]2CO[C@@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]23)n1 ZINC000096217093 473348753 /nfs/dbraw/zinc/34/87/53/473348753.db2.gz VNTISFADIIZDNB-SOLBZPMBSA-N 1 0 336.395 2.541 40 0 EFABRO O=C(N[C@H]1COCCC12CC[NH+](CC1CC1)CC2)c1ccccc1 ZINC000096217210 473349198 /nfs/dbraw/zinc/34/91/98/473349198.db2.gz OATCGTZVQHTCAZ-SFHVURJKSA-N 1 0 328.456 2.698 40 0 EFABRO CC(C)[NH+]1CCC2(C[C@@H](COCC3CC3)N(c3ncccn3)C2)CC1 ZINC000096217679 473349368 /nfs/dbraw/zinc/34/93/68/473349368.db2.gz CWSKNNWJTBCNRX-SFHVURJKSA-N 1 0 344.503 2.973 40 0 EFABRO O=C(N[C@@H]1COCCC12CC[NH+](Cc1ccsc1)CC2)C1CC1 ZINC000096216951 473350417 /nfs/dbraw/zinc/35/04/17/473350417.db2.gz XPYBHFNEIYOMDJ-MRXNPFEDSA-N 1 0 334.485 2.645 40 0 EFABRO COc1ccccc1C[N@@H+]1C[C@H]2OC[C@@H](COc3ccncc3)[C@H]2C1 ZINC000096217197 473350586 /nfs/dbraw/zinc/35/05/86/473350586.db2.gz NPCQDDFTBQNUTF-YVWKXTFCSA-N 1 0 340.423 2.616 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)n1 ZINC000096219166 473351364 /nfs/dbraw/zinc/35/13/64/473351364.db2.gz FAJHCCKMABPPJX-QFBILLFUSA-N 1 0 342.418 2.770 40 0 EFABRO c1ccc(CC[N@@H+]2CC[C@]3(C2)C[C@H](Nc2ncccn2)CCO3)cc1 ZINC000096219224 473352173 /nfs/dbraw/zinc/35/21/73/473352173.db2.gz PMBKMRCCAYEXLR-UYAOXDASSA-N 1 0 338.455 2.755 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219178 473352250 /nfs/dbraw/zinc/35/22/50/473352250.db2.gz SGPXYXMELVKMCZ-KBXCAEBGSA-N 1 0 346.406 2.671 40 0 EFABRO CN(C)C(=O)N1CCC2(C[C@@H](COCC3CC3)[N@H+](CC3CC3)C2)CC1 ZINC000096220565 473353786 /nfs/dbraw/zinc/35/37/86/473353786.db2.gz MPXLAEHUTFSVCL-SFHVURJKSA-N 1 0 349.519 2.661 40 0 EFABRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000096221041 473353908 /nfs/dbraw/zinc/35/39/08/473353908.db2.gz LDEIXYRYWCSDGR-SFHVURJKSA-N 1 0 328.456 2.679 40 0 EFABRO Cc1cccc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)c1 ZINC000096220036 473353949 /nfs/dbraw/zinc/35/39/49/473353949.db2.gz NVOIZOWVZIMJKW-PZJWPPBQSA-N 1 0 342.483 2.816 40 0 EFABRO CN(C)C(=O)N1CCC2(C[C@H](COCC3CC3)[N@H+](CC3CC3)C2)CC1 ZINC000096220564 473354017 /nfs/dbraw/zinc/35/40/17/473354017.db2.gz MPXLAEHUTFSVCL-GOSISDBHSA-N 1 0 349.519 2.661 40 0 EFABRO CC[N@H+](C)[C@@H]1COC2(C1)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096220809 473354034 /nfs/dbraw/zinc/35/40/34/473354034.db2.gz SGPLQSCZUYAFIX-KRWDZBQOSA-N 1 0 341.455 2.883 40 0 EFABRO Cc1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)c(C)o1 ZINC000096220066 473354234 /nfs/dbraw/zinc/35/42/34/473354234.db2.gz GXRXYWGUFNCMDB-FXAWDEMLSA-N 1 0 346.471 2.717 40 0 EFABRO CC(C)NC(=O)C[C@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096221943 473354278 /nfs/dbraw/zinc/35/42/78/473354278.db2.gz AJQVDFDCTOFABS-GOSISDBHSA-N 1 0 330.472 2.972 40 0 EFABRO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096220521 473354672 /nfs/dbraw/zinc/35/46/72/473354672.db2.gz YSSJDDZZQRIEKR-PMACEKPBSA-N 1 0 346.471 2.648 40 0 EFABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccsc4)C3)C2=O)cn1 ZINC000096224625 473354913 /nfs/dbraw/zinc/35/49/13/473354913.db2.gz WZNLTOYESMDDDH-QGZVFWFLSA-N 1 0 330.457 2.501 40 0 EFABRO Fc1cccnc1N[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096222985 473355012 /nfs/dbraw/zinc/35/50/12/473355012.db2.gz GSSPPWWXHLZPLB-LPHOPBHVSA-N 1 0 342.418 2.851 40 0 EFABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096224581 473355317 /nfs/dbraw/zinc/35/53/17/473355317.db2.gz NFXLDMDEUSXKIS-LJQANCHMSA-N 1 0 340.402 2.635 40 0 EFABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096224561 473355360 /nfs/dbraw/zinc/35/53/60/473355360.db2.gz NDMXGLVRUUAIBV-QGZVFWFLSA-N 1 0 328.441 2.557 40 0 EFABRO Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cncn2C)C3)c1 ZINC000096222748 473355815 /nfs/dbraw/zinc/35/58/15/473355815.db2.gz GABAZHLYABIGGI-AZUAARDMSA-N 1 0 340.471 2.964 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)NCC4CC4)=NO3)C2)cc1C ZINC000096225501 473356918 /nfs/dbraw/zinc/35/69/18/473356918.db2.gz CFHGIPVVXALZOQ-HXUWFJFHSA-N 1 0 341.455 2.550 40 0 EFABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096241993 473362784 /nfs/dbraw/zinc/36/27/84/473362784.db2.gz WMALKUCGYCAAQO-IAGOWNOFSA-N 1 0 342.483 2.775 40 0 EFABRO c1csc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)n1 ZINC000096229234 473358650 /nfs/dbraw/zinc/35/86/50/473358650.db2.gz DFBFNUDYBGWTEC-GOSISDBHSA-N 1 0 344.484 2.657 40 0 EFABRO O=C(Cc1ccsc1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228806 473358898 /nfs/dbraw/zinc/35/88/98/473358898.db2.gz RQVVAZQGUQZZEC-IBGZPJMESA-N 1 0 348.512 2.642 40 0 EFABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228863 473359477 /nfs/dbraw/zinc/35/94/77/473359477.db2.gz DVBFFPDRUBGLLJ-FQEVSTJZSA-N 1 0 341.455 2.742 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243980 473362724 /nfs/dbraw/zinc/36/27/24/473362724.db2.gz HCTCRCGJIQWVLP-HXUWFJFHSA-N 1 0 338.455 2.525 40 0 EFABRO COc1ccc2c3c1O[C@@]1(C)C(OC)=CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000096316372 473375497 /nfs/dbraw/zinc/37/54/97/473375497.db2.gz KMOSBWXKMZKJPU-UAOJZALGSA-N 1 0 325.408 2.815 40 0 biogenic,in-vitro EFABRO O=C(NCCCCn1ccnc1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000096404843 473381534 /nfs/dbraw/zinc/38/15/34/473381534.db2.gz UXILEYBFDKXHTM-GOSISDBHSA-N 1 0 347.507 2.713 40 0 EFABRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCSCC2)CC1 ZINC000096407820 473385552 /nfs/dbraw/zinc/38/55/52/473385552.db2.gz DPSAJCZRIYADQL-HNNXBMFYSA-N 1 0 333.501 2.970 40 0 EFABRO Cc1cccc(C)c1OCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000096407745 473385861 /nfs/dbraw/zinc/38/58/61/473385861.db2.gz NHIAWQGILCDSGU-HXUWFJFHSA-N 1 0 345.531 2.784 40 0 EFABRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1 ZINC000096407739 473385903 /nfs/dbraw/zinc/38/59/03/473385903.db2.gz OZENNKVRXDGLSA-WMZOPIPTSA-N 1 0 327.403 2.611 40 0 EFABRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H]2CCCO2)cc1Cl ZINC000096408509 473387183 /nfs/dbraw/zinc/38/71/83/473387183.db2.gz WMHCQBGTFFALIF-CYBMUJFWSA-N 1 0 326.824 2.788 40 0 EFABRO CCN(C1CC[NH+](CCSc2ccccc2)CC1)S(C)(=O)=O ZINC000096410336 473388880 /nfs/dbraw/zinc/38/88/80/473388880.db2.gz VSJVIBLUMZFMAY-UHFFFAOYSA-N 1 0 342.530 2.525 40 0 EFABRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1NC(=O)c1ccco1 ZINC000000000039 471317426 /nfs/dbraw/zinc/31/74/26/471317426.db2.gz XBRNQRFNEAHCPR-CYBMUJFWSA-N 1 0 332.400 2.660 40 0 in-man EFABRO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(Cl)c1 ZINC000000098693 471322932 /nfs/dbraw/zinc/32/29/32/471322932.db2.gz CEOWUCQYUSMIJO-HNNXBMFYSA-N 1 0 331.823 2.868 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COC[C@@H]1CC=CCC1 ZINC000000098645 471323348 /nfs/dbraw/zinc/32/33/48/471323348.db2.gz DNWJWTMARZAQCW-SJORKVTESA-N 1 0 329.464 2.762 40 0 EFABRO C[N@@H+]1CCC[C@@H](COC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000177939 471331761 /nfs/dbraw/zinc/33/17/61/471331761.db2.gz BIMNSIZSDYSRHF-QGZVFWFLSA-N 1 0 339.435 2.808 40 0 EFABRO Cc1ccccc1OC[C@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000000307203 471345746 /nfs/dbraw/zinc/34/57/46/471345746.db2.gz XUPJRJCGJBVUDH-QGZVFWFLSA-N 1 0 325.432 2.831 40 0 EFABRO Cc1ccccc1OC[C@@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000000307209 471346247 /nfs/dbraw/zinc/34/62/47/471346247.db2.gz XUPJRJCGJBVUDH-KRWDZBQOSA-N 1 0 325.432 2.831 40 0 EFABRO CCn1c(C)[n+](C[C@@H](O)COc2ccc(F)cc2)c2ccccc21 ZINC000000316260 471347046 /nfs/dbraw/zinc/34/70/46/471347046.db2.gz FUAGPQZBYNQYKA-MRXNPFEDSA-N 1 0 329.395 2.836 40 0 EFABRO CC[N@@H+]1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390428 471354770 /nfs/dbraw/zinc/35/47/70/471354770.db2.gz OJYOTLHNSMYONM-LJQANCHMSA-N 1 0 339.435 2.950 40 0 EFABRO C[NH+](C)CCCNC(=O)c1c2ccccc2ncc1-c1cccnc1 ZINC000001637042 471394887 /nfs/dbraw/zinc/39/48/87/471394887.db2.gz KTYQGPZATNEGHW-UHFFFAOYSA-N 1 0 334.423 2.978 40 0 EFABRO O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@](O)(C1=CCCC1)c1ccccc1 ZINC000001641827 471395146 /nfs/dbraw/zinc/39/51/46/471395146.db2.gz HRGZDUGJXKGXRU-UYAOXDASSA-N 1 0 327.424 2.622 40 0 EFABRO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002701404 471417408 /nfs/dbraw/zinc/41/74/08/471417408.db2.gz MBANWQYXUIBFPL-INIZCTEOSA-N 1 0 349.471 2.643 40 0 EFABRO COc1ccc(Cc2c[n+](C)cc3cc(O)c(OC)cc32)cc1O ZINC000003847284 471455691 /nfs/dbraw/zinc/45/56/91/471455691.db2.gz HGJBJVFLPXTGAF-UHFFFAOYSA-O 1 0 326.372 2.684 40 0 EFABRO O[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(-c2ccccc2)cc1 ZINC000004667230 471471154 /nfs/dbraw/zinc/47/11/54/471471154.db2.gz COQYEOGHDPETNY-AZUAARDMSA-N 1 0 327.424 2.862 40 0 EFABRO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866859 471478068 /nfs/dbraw/zinc/47/80/68/471478068.db2.gz BADSCWFHJCUJTF-ZBFHGGJFSA-N 1 0 349.814 2.509 40 0 EFABRO COc1ccc(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3[C@H]2C)cc1OC ZINC000005758929 471520535 /nfs/dbraw/zinc/52/05/35/471520535.db2.gz GMTIVZXAIAADFX-UAGQMJEPSA-N 1 0 346.471 2.625 40 0 EFABRO CCCCNC(=O)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000006203746 471535370 /nfs/dbraw/zinc/53/53/70/471535370.db2.gz NIIMWVGQLLZJEV-UHFFFAOYSA-N 1 0 334.460 2.832 40 0 EFABRO C[C@H]([NH2+]C1CCCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006284968 471538189 /nfs/dbraw/zinc/53/81/89/471538189.db2.gz MQPXZHZCCKSKBE-HNNXBMFYSA-N 1 0 331.460 2.773 40 0 EFABRO COC(=O)[C@@H](c1ccccc1)C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000006384833 471543441 /nfs/dbraw/zinc/54/34/41/471543441.db2.gz UHQATSRWAFZSAY-LJQANCHMSA-N 1 0 339.435 2.970 40 0 EFABRO COc1ccc([C@@H](Cc2ccccc2Cl)[NH+](CCO)CCO)cc1 ZINC000006484441 471546674 /nfs/dbraw/zinc/54/66/74/471546674.db2.gz OAZIQQIZCPUIDD-LJQANCHMSA-N 1 0 349.858 2.919 40 0 EFABRO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000006790345 471569641 /nfs/dbraw/zinc/56/96/41/471569641.db2.gz CCJAFJNCKBENAB-UONOGXRCSA-N 1 0 329.868 2.872 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000006953141 471580551 /nfs/dbraw/zinc/58/05/51/471580551.db2.gz GTGLRJXSTVNYAM-SNVBAGLBSA-N 1 0 344.242 2.532 40 0 EFABRO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OC ZINC000007126260 471593304 /nfs/dbraw/zinc/59/33/04/471593304.db2.gz LWQTZCKTLMYFCR-INIZCTEOSA-N 1 0 337.383 2.540 40 0 EFABRO COc1ccc(CNC(=S)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000007637296 471625813 /nfs/dbraw/zinc/62/58/13/471625813.db2.gz VHYBDAZDVJOIPA-GOSISDBHSA-N 1 0 343.496 2.962 40 0 EFABRO COc1ccc(CNC(=S)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000007637288 471626077 /nfs/dbraw/zinc/62/60/77/471626077.db2.gz VHYBDAZDVJOIPA-SFHVURJKSA-N 1 0 343.496 2.962 40 0 EFABRO CC(C)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000008559487 471694403 /nfs/dbraw/zinc/69/44/03/471694403.db2.gz XUKODHOJSYWPDW-SJLPKXTDSA-N 1 0 344.455 2.679 40 0 EFABRO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062860 471709124 /nfs/dbraw/zinc/70/91/24/471709124.db2.gz RMBGTLJORZVRKZ-UHFFFAOYSA-N 1 0 337.423 2.636 40 0 EFABRO CCCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000009064321 471709481 /nfs/dbraw/zinc/70/94/81/471709481.db2.gz JDUSRELKDXIYBU-UHFFFAOYSA-N 1 0 348.516 2.832 40 0 EFABRO CC[NH+]1CCN(c2ncnc3c2cnn3-c2cc(C)cc(C)c2)CC1 ZINC000009627452 471720327 /nfs/dbraw/zinc/72/03/27/471720327.db2.gz WFKGZPGXSBNVOF-UHFFFAOYSA-N 1 0 336.443 2.574 40 0 EFABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2c[nH]nc2-c2cccs2)on1 ZINC000012128455 471764710 /nfs/dbraw/zinc/76/47/10/471764710.db2.gz MQWCYUBCYXAUNT-IUODEOHRSA-N 1 0 344.440 2.782 40 0 EFABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012156669 471765783 /nfs/dbraw/zinc/76/57/83/471765783.db2.gz UWPFRUZIJHUSDB-YJBOKZPZSA-N 1 0 334.391 2.642 40 0 EFABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCC[NH2+]C1 ZINC000012157390 471766137 /nfs/dbraw/zinc/76/61/37/471766137.db2.gz YQRDHEBGMHUVLJ-MAUKXSAKSA-N 1 0 334.391 2.642 40 0 EFABRO CCc1[nH]nc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000012147299 471766972 /nfs/dbraw/zinc/76/69/72/471766972.db2.gz NURCLULIPBMRDN-KRWDZBQOSA-N 1 0 344.434 2.987 40 0 EFABRO Cc1cc(C)n(CC[NH2+]Cc2cc(-c3ccc(F)cc3)c[nH]c2=O)n1 ZINC000012184784 471767409 /nfs/dbraw/zinc/76/74/09/471767409.db2.gz GQWXWNINPWJXPD-UHFFFAOYSA-N 1 0 340.402 2.784 40 0 EFABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181027 471767625 /nfs/dbraw/zinc/76/76/25/471767625.db2.gz XYHKPTLJDNZHQN-LIRRHRJNSA-N 1 0 328.456 2.894 40 0 EFABRO C=Cn1ncc(C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1C ZINC000012188191 471767810 /nfs/dbraw/zinc/76/78/10/471767810.db2.gz WNTFTTCTHXCEPQ-UHFFFAOYSA-N 1 0 341.411 2.504 40 0 EFABRO COc1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)ccc1O ZINC000012185618 471768028 /nfs/dbraw/zinc/76/80/28/471768028.db2.gz HDSNZJFTYXKBRK-ZDUSSCGKSA-N 1 0 345.395 2.513 40 0 EFABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1O ZINC000012185621 471768171 /nfs/dbraw/zinc/76/81/71/471768171.db2.gz GABMPNXETZOVJX-CYBMUJFWSA-N 1 0 345.395 2.513 40 0 EFABRO Cc1ncc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)c(C)n1 ZINC000012199398 471768676 /nfs/dbraw/zinc/76/86/76/471768676.db2.gz IJEPIZNCLRAOKA-GOSISDBHSA-N 1 0 342.418 2.799 40 0 EFABRO Cc1ncc(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)c(C)n1 ZINC000012201772 471768910 /nfs/dbraw/zinc/76/89/10/471768910.db2.gz ONGFIASHZBFUBN-UHFFFAOYSA-N 1 0 342.418 2.627 40 0 EFABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000012292391 471770898 /nfs/dbraw/zinc/77/08/98/471770898.db2.gz IEXJXWCUJQTYAV-UYAOXDASSA-N 1 0 345.414 2.851 40 0 EFABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012327759 471772536 /nfs/dbraw/zinc/77/25/36/471772536.db2.gz LYPAUJAVJMFIOB-GOSISDBHSA-N 1 0 345.414 2.851 40 0 EFABRO CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000013447516 471829723 /nfs/dbraw/zinc/82/97/23/471829723.db2.gz NGJWCZYRIKMKEP-VVLHAWIVSA-N 1 0 331.412 2.646 40 0 in-vitro EFABRO COc1cccc(OC)c1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013647899 471836240 /nfs/dbraw/zinc/83/62/40/471836240.db2.gz SJRFRNWQDKSPCX-HUUCEWRRSA-N 1 0 334.460 2.802 40 0 EFABRO CCOC(=O)C1(Cc2ccccc2Br)CC[NH2+]CC1 ZINC000014000386 471848159 /nfs/dbraw/zinc/84/81/59/471848159.db2.gz UXILKXNFHAXVRG-UHFFFAOYSA-N 1 0 326.234 2.925 40 0 EFABRO C[NH+](C)CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740422 471948523 /nfs/dbraw/zinc/94/85/23/471948523.db2.gz FOTLLVBBLHRSJY-UHFFFAOYSA-N 1 0 334.423 2.978 40 0 EFABRO CCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000017072460 471956094 /nfs/dbraw/zinc/95/60/94/471956094.db2.gz HFZLOZJKRWAMHZ-UHFFFAOYSA-N 1 0 348.516 2.832 40 0 EFABRO Cc1ccc(-n2ncc3c2ncnc3NCC[NH+](C)C)cc1Cl ZINC000017120892 471957265 /nfs/dbraw/zinc/95/72/65/471957265.db2.gz HOGZOYJHPCIRJE-UHFFFAOYSA-N 1 0 330.823 2.751 40 0 EFABRO C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000019457737 471979901 /nfs/dbraw/zinc/97/99/01/471979901.db2.gz CYQUFWHZCIXFPK-JKSUJKDBSA-N 1 0 328.460 2.615 40 0 EFABRO c1ccc([C@@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000019369960 471980018 /nfs/dbraw/zinc/98/00/18/471980018.db2.gz VDAIANPEOGZTFZ-LJQANCHMSA-N 1 0 338.455 2.693 40 0 EFABRO CCn1cncc1CN(Cc1ccccn1)C[C@H]1CCC[N@@H+]1CC ZINC000019578563 471981638 /nfs/dbraw/zinc/98/16/38/471981638.db2.gz VRODXLXMQPMBSJ-GOSISDBHSA-N 1 0 327.476 2.785 40 0 EFABRO Cc1nc(-c2cncnc2[C@@H]2CC[N@H+](CCc3ccccc3)C2)no1 ZINC000019693862 471983104 /nfs/dbraw/zinc/98/31/04/471983104.db2.gz CBORJYXZFBQGNH-MRXNPFEDSA-N 1 0 335.411 2.867 40 0 EFABRO CC[N@H+](C)[C@@H]1CN(Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704018 471983284 /nfs/dbraw/zinc/98/32/84/471983284.db2.gz ADCYZWCXILNYCH-KRWDZBQOSA-N 1 0 331.508 2.772 40 0 EFABRO CNc1cc(C[NH2+]C)nc([C@H]2CCCN2Cc2ccccc2C)n1 ZINC000019760619 471984876 /nfs/dbraw/zinc/98/48/76/471984876.db2.gz HLNIEHCTRPBAMS-QGZVFWFLSA-N 1 0 325.460 2.883 40 0 EFABRO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)COC)CC2)C1 ZINC000019712729 471985144 /nfs/dbraw/zinc/98/51/44/471985144.db2.gz IFMGECGRIWANEY-ROUUACIJSA-N 1 0 346.471 2.524 40 0 EFABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2S(C)(=O)=O ZINC000019713446 471985164 /nfs/dbraw/zinc/98/51/64/471985164.db2.gz QKXWSXHCPNCYDL-SQNIBIBYSA-N 1 0 336.501 2.554 40 0 EFABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH2+]CCN(C)C)C=C2C)o1 ZINC000035442616 471996543 /nfs/dbraw/zinc/99/65/43/471996543.db2.gz ACNDWXVHJOGGKH-BZSNNMDCSA-N 1 0 334.508 2.926 40 0 biogenic,in-vitro EFABRO Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2cccs2)n1 ZINC000035426042 471997106 /nfs/dbraw/zinc/99/71/06/471997106.db2.gz WARQNZMYHVROOH-LBPRGKRZSA-N 1 0 328.401 2.507 40 0 biogenic,in-vitro EFABRO COc1cccc(O[C@H](C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000036067892 471997828 /nfs/dbraw/zinc/99/78/28/471997828.db2.gz SMZGGPJQUASUDQ-YESZJQIVSA-N 1 0 348.487 2.947 40 0 EFABRO Cc1nn(C)c2nc(C)cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000024498075 472058480 /nfs/dbraw/zinc/05/84/80/472058480.db2.gz ZPDDXCGBJQRQGY-UHFFFAOYSA-N 1 0 343.475 2.624 40 0 EFABRO O[C@@H](C[NH2+]C1CCCC1)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689949 472079564 /nfs/dbraw/zinc/07/95/64/472079564.db2.gz KFORXACLIQLVLC-DRZUXFPHSA-N 1 0 337.504 2.882 40 0 EFABRO COc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1F ZINC000025738292 472109709 /nfs/dbraw/zinc/10/97/09/472109709.db2.gz FWHFBWQAHWPDGA-UHFFFAOYSA-N 1 0 343.402 2.838 40 0 EFABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N1CCc2ccccc21 ZINC000026439274 472135518 /nfs/dbraw/zinc/13/55/18/472135518.db2.gz FWHZZLRPWLWZRF-UHFFFAOYSA-N 1 0 327.472 2.526 40 0 EFABRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000027530301 472179858 /nfs/dbraw/zinc/17/98/58/472179858.db2.gz RAAQWHZPYFVJFK-WMLDXEAASA-N 1 0 329.396 2.564 40 0 EFABRO CC(C)OC(=O)N1CCC([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000084661740 472205159 /nfs/dbraw/zinc/20/51/59/472205159.db2.gz TUIWKVQDGQAKEC-UHFFFAOYSA-N 1 0 342.443 2.971 40 0 EFABRO COCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000085467933 472250052 /nfs/dbraw/zinc/25/00/52/472250052.db2.gz PYTFDLJDAZQUBW-UHFFFAOYSA-N 1 0 331.243 2.834 40 0 EFABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000085468216 472251648 /nfs/dbraw/zinc/25/16/48/472251648.db2.gz VJCKBMUMTUHZDD-OAHLLOKOSA-N 1 0 349.906 2.828 40 0 EFABRO COc1cccc(CC(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)c1 ZINC000085473200 472253220 /nfs/dbraw/zinc/25/32/20/472253220.db2.gz NJRVNAMDZPERLX-QGZVFWFLSA-N 1 0 348.512 2.668 40 0 EFABRO O=C(NCc1cccs1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473243 472253535 /nfs/dbraw/zinc/25/35/35/472253535.db2.gz PDHKFAMJVPKFIP-AWEZNQCLSA-N 1 0 339.530 2.861 40 0 EFABRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000031091906 472361745 /nfs/dbraw/zinc/36/17/45/472361745.db2.gz BGMJQNIRAJTEAV-UHFFFAOYSA-N 1 0 338.883 2.879 40 0 EFABRO CC[NH+]1CCN(CCNC(=O)Nc2cccc3ccccc32)CC1 ZINC000031794229 472395845 /nfs/dbraw/zinc/39/58/45/472395845.db2.gz KIJCQXNMVFTFDT-UHFFFAOYSA-N 1 0 326.444 2.599 40 0 EFABRO Cc1cccc(Cl)c1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000097095199 472443501 /nfs/dbraw/zinc/44/35/01/472443501.db2.gz WBAZZNRVPWCZOZ-UHFFFAOYSA-N 1 0 339.867 2.959 40 0 EFABRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc2cccnc21 ZINC000097104191 472448806 /nfs/dbraw/zinc/44/88/06/472448806.db2.gz KSPMWNBDRSHDPY-HNNXBMFYSA-N 1 0 347.484 2.529 40 0 EFABRO Cc1cc(F)ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000045744730 472453059 /nfs/dbraw/zinc/45/30/59/472453059.db2.gz YVQCLFWAHQFHGW-CYBMUJFWSA-N 1 0 328.453 2.534 40 0 EFABRO C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)C1CCOCC1 ZINC000089639269 472474620 /nfs/dbraw/zinc/47/46/20/472474620.db2.gz YNEHXNJVMUXWQX-HNNXBMFYSA-N 1 0 337.508 2.898 40 0 EFABRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230726 472484283 /nfs/dbraw/zinc/48/42/83/472484283.db2.gz VACSYAVKZMDUEF-GJZGRUSLSA-N 1 0 342.480 2.516 40 0 EFABRO Cc1noc(C)c1COc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000032963979 472485908 /nfs/dbraw/zinc/48/59/08/472485908.db2.gz HAXKFSMMVZFKIS-UHFFFAOYSA-N 1 0 343.427 2.648 40 0 EFABRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccon2)cc1 ZINC000128707435 472487097 /nfs/dbraw/zinc/48/70/97/472487097.db2.gz CWOIMNOSKARGLL-UHFFFAOYSA-N 1 0 342.399 2.741 40 0 EFABRO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000128755471 472492770 /nfs/dbraw/zinc/49/27/70/472492770.db2.gz DRWYINRMNGGMMU-HZPDHXFCSA-N 1 0 326.448 2.960 40 0 EFABRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377017 472495239 /nfs/dbraw/zinc/49/52/39/472495239.db2.gz ASTWQBIAIVDVTB-QGZVFWFLSA-N 1 0 339.487 2.870 40 0 EFABRO Cc1cc(Cl)ccc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000128844141 472503332 /nfs/dbraw/zinc/50/33/32/472503332.db2.gz DFACNCYCZFAUKR-UHFFFAOYSA-N 1 0 338.860 2.628 40 0 EFABRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2n[nH]nc2c1 ZINC000058154215 472508301 /nfs/dbraw/zinc/50/83/01/472508301.db2.gz YHAKEOHJKIFDMR-QGZVFWFLSA-N 1 0 349.438 2.742 40 0 EFABRO Cc1ccc2nnc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2c1 ZINC000046087921 472510611 /nfs/dbraw/zinc/51/06/11/472510611.db2.gz VUGTVDNADHOIAM-UHFFFAOYSA-N 1 0 326.444 2.977 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000097953788 472511890 /nfs/dbraw/zinc/51/18/90/472511890.db2.gz JKVOWWOLRUWISM-AQNXPRMDSA-N 1 0 339.439 2.734 40 0 EFABRO Cc1nc(-c2cccc(CNC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897659 472538709 /nfs/dbraw/zinc/53/87/09/472538709.db2.gz QKUKMWDIVDITBL-MJBXVCDLSA-N 1 0 341.459 2.658 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130218170 472590378 /nfs/dbraw/zinc/59/03/78/472590378.db2.gz NRQJHCQBBSRBPP-OCCSQVGLSA-N 1 0 336.398 2.725 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CCC2)C1 ZINC000130338968 472598685 /nfs/dbraw/zinc/59/86/85/472598685.db2.gz LGPJOLIPTMYSMO-SFHVURJKSA-N 1 0 329.488 2.993 40 0 EFABRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000130406944 472603391 /nfs/dbraw/zinc/60/33/91/472603391.db2.gz BZCDIQHWHFYPHN-MSOLQXFVSA-N 1 0 344.480 2.802 40 0 EFABRO Cc1cccc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)c1Cl ZINC000120224390 472652908 /nfs/dbraw/zinc/65/29/08/472652908.db2.gz AOYARIGIQDABDT-CQSZACIVSA-N 1 0 337.851 2.834 40 0 EFABRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000090728193 472655318 /nfs/dbraw/zinc/65/53/18/472655318.db2.gz SZRJCXQASWDOMB-VXGBXAGGSA-N 1 0 326.404 2.721 40 0 EFABRO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000072395026 472663290 /nfs/dbraw/zinc/66/32/90/472663290.db2.gz ZFIDETJECHJXEW-NQIIRXRSSA-N 1 0 334.419 2.846 40 0 EFABRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000072347137 472663851 /nfs/dbraw/zinc/66/38/51/472663851.db2.gz CYZDNMDQYWUVSI-OAHLLOKOSA-N 1 0 326.396 2.998 40 0 EFABRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000120799502 472749623 /nfs/dbraw/zinc/74/96/23/472749623.db2.gz AYHYQQYBMHJSJT-CYBMUJFWSA-N 1 0 348.422 2.658 40 0 EFABRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000132923522 472764327 /nfs/dbraw/zinc/76/43/27/472764327.db2.gz VFONZBVXDPGWGX-MHJFOBGBSA-N 1 0 326.440 2.910 40 0 EFABRO Cc1nc(/C=C/C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cs1 ZINC000078871485 472780964 /nfs/dbraw/zinc/78/09/64/472780964.db2.gz YGHOUTLORNWMET-AATRIKPKSA-N 1 0 349.500 2.616 40 0 EFABRO Cc1cc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)on1 ZINC000079096196 472819242 /nfs/dbraw/zinc/81/92/42/472819242.db2.gz FUBTYDNVMMDIRR-OAHLLOKOSA-N 1 0 343.427 2.613 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133707947 472833582 /nfs/dbraw/zinc/83/35/82/472833582.db2.gz PYAOTRVATXGGQH-PCHAPFSGSA-N 1 0 338.398 2.832 40 0 EFABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc(Br)o1 ZINC000073642559 472845726 /nfs/dbraw/zinc/84/57/26/472845726.db2.gz ATGIADWHNXZJMI-UHFFFAOYSA-N 1 0 334.173 2.704 40 0 EFABRO COCC[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000079330257 472848799 /nfs/dbraw/zinc/84/87/99/472848799.db2.gz SUDDLEZUFZLZOG-UHFFFAOYSA-N 1 0 345.270 2.763 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000079336608 472849450 /nfs/dbraw/zinc/84/94/50/472849450.db2.gz LAEKXBIFWWJFMG-IBGZPJMESA-N 1 0 331.504 2.918 40 0 EFABRO CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079391439 472856144 /nfs/dbraw/zinc/85/61/44/472856144.db2.gz GSXPGGCODLWPEZ-CABCVRRESA-N 1 0 341.496 2.608 40 0 EFABRO CC(C)[N@H+](CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391721 472856209 /nfs/dbraw/zinc/85/62/09/472856209.db2.gz HCVVPJASAYKXQG-GOSISDBHSA-N 1 0 334.460 2.880 40 0 EFABRO CC(C)[N@H+](CCN)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391841 472856228 /nfs/dbraw/zinc/85/62/28/472856228.db2.gz OXCIFJVZKXXPSL-GOSISDBHSA-N 1 0 333.476 2.704 40 0 EFABRO CC(C)N(CC[NH3+])[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391851 472856686 /nfs/dbraw/zinc/85/66/86/472856686.db2.gz NSNJJHAYNYRHKN-ROUUACIJSA-N 1 0 333.476 2.893 40 0 EFABRO CC(C)[N@H+](CCO)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391730 472857103 /nfs/dbraw/zinc/85/71/03/472857103.db2.gz MOIGCKVAHGYLNA-ZWKOTPCHSA-N 1 0 334.460 2.927 40 0 EFABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079411327 472859498 /nfs/dbraw/zinc/85/94/98/472859498.db2.gz SYBMOKJOIVMQFC-ROUUACIJSA-N 1 0 332.444 2.681 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Br)nc1)C(C)C ZINC000079421662 472861429 /nfs/dbraw/zinc/86/14/29/472861429.db2.gz IRKDTRKIBZWVGP-ZDUSSCGKSA-N 1 0 328.254 2.564 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000079420671 472861583 /nfs/dbraw/zinc/86/15/83/472861583.db2.gz UVMUMJZAZAXEBO-AWEZNQCLSA-N 1 0 325.250 2.923 40 0 EFABRO COc1ccc2[nH]cc(C3CC[NH+](Cc4cnnn4C)CC3)c2c1 ZINC000092474147 472918512 /nfs/dbraw/zinc/91/85/12/472918512.db2.gz HFOMJHGKTVJMBO-UHFFFAOYSA-N 1 0 325.416 2.685 40 0 EFABRO COc1ccc(CCNC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000109030891 473075806 /nfs/dbraw/zinc/07/58/06/473075806.db2.gz FWSQFPQSUBOLNV-JKSUJKDBSA-N 1 0 349.544 2.965 40 0 EFABRO Fc1ccc(C[N@@H+]2CCCN(Cc3cnc4cnccn34)CC2)cc1 ZINC000123162438 473104597 /nfs/dbraw/zinc/10/45/97/473104597.db2.gz AYYUGEJTQRHZEU-UHFFFAOYSA-N 1 0 339.418 2.576 40 0 EFABRO COC(=O)CN1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000136317812 473151594 /nfs/dbraw/zinc/15/15/94/473151594.db2.gz TUTIMTCTUASVOG-HNNXBMFYSA-N 1 0 338.448 2.590 40 0 EFABRO COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000110607773 473165437 /nfs/dbraw/zinc/16/54/37/473165437.db2.gz HZCOUIMAMBKLQS-WBMJQRKESA-N 1 0 342.443 2.852 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cc1cccnc1 ZINC000110604461 473165552 /nfs/dbraw/zinc/16/55/52/473165552.db2.gz GNLSMPCFSDFWLS-FXAWDEMLSA-N 1 0 337.467 2.993 40 0 EFABRO COc1ncccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000110619626 473166384 /nfs/dbraw/zinc/16/63/84/473166384.db2.gz VDYFGYFKLJHHTM-CJNGLKHVSA-N 1 0 345.468 2.965 40 0 EFABRO C[N@@H+]1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636796 473167397 /nfs/dbraw/zinc/16/73/97/473167397.db2.gz MUAFWYMDBAZTJO-NJAFHUGGSA-N 1 0 343.496 2.947 40 0 EFABRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677945 473170036 /nfs/dbraw/zinc/17/00/36/473170036.db2.gz WEVVDIYGADOERQ-FZKQIMNGSA-N 1 0 338.398 2.597 40 0 EFABRO C[N@H+](CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000110695159 473171255 /nfs/dbraw/zinc/17/12/55/473171255.db2.gz XSHCOXSRGLRSBM-XJKSGUPXSA-N 1 0 344.484 2.664 40 0 EFABRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C(=O)N(C)C ZINC000110686017 473171411 /nfs/dbraw/zinc/17/14/11/473171411.db2.gz SNPZSEBPSANLSW-PBHICJAKSA-N 1 0 346.475 2.501 40 0 EFABRO CC[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000110698434 473172120 /nfs/dbraw/zinc/17/21/20/473172120.db2.gz HOKCWPGYZLFBIT-STQMWFEESA-N 1 0 332.473 2.568 40 0 EFABRO C[N@H+](CC(=O)NCc1cccnc1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000096417448 473397238 /nfs/dbraw/zinc/39/72/38/473397238.db2.gz ZOPSQZLLISJQNH-LJQANCHMSA-N 1 0 327.403 2.920 40 0 EFABRO Cn1cc(CCC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cn1 ZINC000096418425 473397918 /nfs/dbraw/zinc/39/79/18/473397918.db2.gz GZMKNNYWYOEQJX-UHFFFAOYSA-N 1 0 339.443 2.508 40 0 EFABRO CC(C)=CCSc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096420814 473399600 /nfs/dbraw/zinc/39/96/00/473399600.db2.gz FQNFOGPPEIYFPL-MRXNPFEDSA-N 1 0 347.528 2.721 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000096421580 473400281 /nfs/dbraw/zinc/40/02/81/473400281.db2.gz MJDNARJFRRAVJM-OIISXLGYSA-N 1 0 349.450 2.500 40 0 EFABRO COc1ncccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000096423083 473401501 /nfs/dbraw/zinc/40/15/01/473401501.db2.gz VDYFGYFKLJHHTM-CZUORRHYSA-N 1 0 345.468 2.965 40 0 EFABRO Cc1ncsc1CC[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000096424526 473403729 /nfs/dbraw/zinc/40/37/29/473403729.db2.gz FBTLNHPRVRQUMX-UHFFFAOYSA-N 1 0 345.497 2.821 40 0 EFABRO FC(F)(F)c1cccnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000096429490 473408474 /nfs/dbraw/zinc/40/84/74/473408474.db2.gz ITYAZMJOMWQXCY-ZDUSSCGKSA-N 1 0 329.366 2.649 40 0 EFABRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000096432855 473411418 /nfs/dbraw/zinc/41/14/18/473411418.db2.gz YLPNSXBCUXWWLP-SNVBAGLBSA-N 1 0 335.395 2.695 40 0 EFABRO CCS[C@@H]1CCCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000096435372 473414653 /nfs/dbraw/zinc/41/46/53/473414653.db2.gz IQKFFNMATVBTDF-CQSZACIVSA-N 1 0 339.509 2.584 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)NC(C)(C)c2cccc(F)c2)n1 ZINC000096435382 473414743 /nfs/dbraw/zinc/41/47/43/473414743.db2.gz GNYXAFVUDWUCNO-UHFFFAOYSA-N 1 0 333.411 2.641 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCS3)cc2)CC1 ZINC000096436116 473414751 /nfs/dbraw/zinc/41/47/51/473414751.db2.gz NDKKZTXUBMIXHM-KRWDZBQOSA-N 1 0 333.501 2.658 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCS3)cc2)CC1 ZINC000096436117 473415213 /nfs/dbraw/zinc/41/52/13/473415213.db2.gz NDKKZTXUBMIXHM-QGZVFWFLSA-N 1 0 333.501 2.658 40 0 EFABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCNc1ccccn1 ZINC000096435989 473415508 /nfs/dbraw/zinc/41/55/08/473415508.db2.gz FSWHSAFCXPRIAY-UHFFFAOYSA-N 1 0 338.411 2.731 40 0 EFABRO C[C@@H]1C[C@@H](NCc2ccccc2C[N@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437127 473417109 /nfs/dbraw/zinc/41/71/09/473417109.db2.gz DBXJAZGNDQBWLM-RDTXWAMCSA-N 1 0 328.412 2.705 40 0 EFABRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCOC3)cc2)C1 ZINC000096443928 473420930 /nfs/dbraw/zinc/42/09/30/473420930.db2.gz WQABZQZPXXKHAJ-JKSUJKDBSA-N 1 0 332.444 2.772 40 0 EFABRO COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096443462 473421293 /nfs/dbraw/zinc/42/12/93/473421293.db2.gz LMEYPNLYQCYLRF-NXHRZFHOSA-N 1 0 332.444 2.769 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000096445547 473424039 /nfs/dbraw/zinc/42/40/39/473424039.db2.gz FCALPMOWVWGKNR-OXJNMPFZSA-N 1 0 347.478 2.763 40 0 EFABRO O=C(CCOC1CCOCC1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000096460674 473433879 /nfs/dbraw/zinc/43/38/79/473433879.db2.gz HLIYOVZPQAJTFZ-KRWDZBQOSA-N 1 0 344.455 2.583 40 0 EFABRO C[C@@H](CN(C)C1CC[NH+](C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466202 473434928 /nfs/dbraw/zinc/43/49/28/473434928.db2.gz ZOFNTYGVYUKALI-PQUAAJSLSA-N 1 0 344.565 2.642 40 0 EFABRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000096461932 473435218 /nfs/dbraw/zinc/43/52/18/473435218.db2.gz WEVVDIYGADOERQ-ACJLOTCBSA-N 1 0 338.398 2.597 40 0 EFABRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000096478536 473440107 /nfs/dbraw/zinc/44/01/07/473440107.db2.gz SGJIPZHUAOZXMO-STQMWFEESA-N 1 0 349.500 2.722 40 0 EFABRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479373 473441294 /nfs/dbraw/zinc/44/12/94/473441294.db2.gz LCBHFTPLFRMVNO-CJNGLKHVSA-N 1 0 330.428 2.857 40 0 EFABRO COc1cc(F)c(C(=O)NCC[NH2+]C2CCCCCC2)cc1OC ZINC000096482553 473442183 /nfs/dbraw/zinc/44/21/83/473442183.db2.gz WMASFTLENNMTIB-UHFFFAOYSA-N 1 0 338.423 2.885 40 0 EFABRO O=S1(=O)CCC[C@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000096491697 473447472 /nfs/dbraw/zinc/44/74/72/473447472.db2.gz WOZZMLHHZTVXSH-KRWDZBQOSA-N 1 0 333.453 2.776 40 0 EFABRO CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)sc1C ZINC000096491627 473447786 /nfs/dbraw/zinc/44/77/86/473447786.db2.gz WXRUSMMNUSJSMZ-KGLIPLIRSA-N 1 0 330.519 2.502 40 0 EFABRO CCOC(=O)N1CCC([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000125714641 473449629 /nfs/dbraw/zinc/44/96/29/473449629.db2.gz XFZYDLWMUUJGJL-MRXNPFEDSA-N 1 0 328.416 2.710 40 0 EFABRO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000096500607 473452443 /nfs/dbraw/zinc/45/24/43/473452443.db2.gz IEJVPZWHGMVKKS-HNNXBMFYSA-N 1 0 345.464 2.887 40 0 EFABRO Fc1ccc(-n2cc(CNC3CC[NH+](C4CC4)CC3)nn2)cc1Cl ZINC000096501515 473453958 /nfs/dbraw/zinc/45/39/58/473453958.db2.gz GIDSAHHBEKMYCN-UHFFFAOYSA-N 1 0 349.841 2.776 40 0 EFABRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000096503120 473454916 /nfs/dbraw/zinc/45/49/16/473454916.db2.gz SGEJTEPXQJUNIM-GJYPPUQNSA-N 1 0 338.455 2.962 40 0 EFABRO C[NH+]1CCC(NS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000114735606 473500118 /nfs/dbraw/zinc/50/01/18/473500118.db2.gz PEZPLGUQPUMQCJ-UHFFFAOYSA-N 1 0 337.272 2.507 40 0 EFABRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)cc1 ZINC000168242114 473540779 /nfs/dbraw/zinc/54/07/79/473540779.db2.gz GFDTYSQSDBUMMJ-GHMZBOCLSA-N 1 0 337.445 2.611 40 0 EFABRO COC1(C[NH2+][C@@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000153404235 473623261 /nfs/dbraw/zinc/62/32/61/473623261.db2.gz AVUMANKLFQXGOR-CABCVRRESA-N 1 0 342.439 2.753 40 0 EFABRO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCSC2(CCOCC2)C1 ZINC000192193156 473645897 /nfs/dbraw/zinc/64/58/97/473645897.db2.gz PNZWCMAXFFEUPO-MRXNPFEDSA-N 1 0 332.469 2.538 40 0 EFABRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000171000703 473663120 /nfs/dbraw/zinc/66/31/20/473663120.db2.gz XZPJPGCDMPORDS-UHFFFAOYSA-N 1 0 342.530 2.654 40 0 EFABRO O=C(Nc1ccc2nncn2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179628465 473699292 /nfs/dbraw/zinc/69/92/92/473699292.db2.gz BOEDAPMTJQUYTO-MRXNPFEDSA-N 1 0 335.411 2.580 40 0 EFABRO C[C@H](C(=O)N[C@H]1CC[C@H](O)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000245565352 473720722 /nfs/dbraw/zinc/72/07/22/473720722.db2.gz WQNADXJXJMDERL-NSISKUIASA-N 1 0 344.499 2.749 40 0 EFABRO CC[C@H](C)Oc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)ccn1 ZINC000274147755 473743778 /nfs/dbraw/zinc/74/37/78/473743778.db2.gz YQFCJDDNAKUCMV-CFVMTHIKSA-N 1 0 344.415 2.845 40 0 EFABRO CC[C@H](C)Oc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)ccn1 ZINC000274147758 473744229 /nfs/dbraw/zinc/74/42/29/473744229.db2.gz YQFCJDDNAKUCMV-NWANDNLSSA-N 1 0 344.415 2.845 40 0 EFABRO O=C(Cc1cccc(Br)c1)NCCC[NH+]1CCCCC1 ZINC000194768515 473951654 /nfs/dbraw/zinc/95/16/54/473951654.db2.gz QEUVSOZIKIBFKP-UHFFFAOYSA-N 1 0 339.277 2.984 40 0 EFABRO Cc1cc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)s1 ZINC000180755249 473957951 /nfs/dbraw/zinc/95/79/51/473957951.db2.gz IFHOXYBHQNZMTC-BZPMIXESSA-N 1 0 339.505 2.522 40 0 EFABRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061015 473967661 /nfs/dbraw/zinc/96/76/61/473967661.db2.gz ODWZEEZHKXXFOL-WBMJQRKESA-N 1 0 346.862 2.881 40 0 EFABRO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(O)c2)ncn1 ZINC000194921529 473975283 /nfs/dbraw/zinc/97/52/83/473975283.db2.gz VVFGZQLJTZRXHY-ZFWWWQNUSA-N 1 0 327.432 2.544 40 0 EFABRO c1c[nH]c([C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195049190 473998818 /nfs/dbraw/zinc/99/88/18/473998818.db2.gz WTTFEDYHWBMBPK-ZWKOTPCHSA-N 1 0 325.460 2.748 40 0 EFABRO Cc1ccccc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188174241 474008058 /nfs/dbraw/zinc/00/80/58/474008058.db2.gz USQWACXAUJNUNK-OAQYLSRUSA-N 1 0 338.451 2.704 40 0 EFABRO C[C@H]1CN(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000195529380 474088615 /nfs/dbraw/zinc/08/86/15/474088615.db2.gz GOEYPZCIMMXAFT-JYJNAYRXSA-N 1 0 347.459 2.548 40 0 EFABRO COC(=O)c1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000195529197 474089315 /nfs/dbraw/zinc/08/93/15/474089315.db2.gz ORKKBJFDLPYQPL-ZIAGYGMSSA-N 1 0 333.432 2.715 40 0 EFABRO COc1cc(OC)cc([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000195536461 474090074 /nfs/dbraw/zinc/09/00/74/474090074.db2.gz QOPJUWQDWGQKGW-DNVCBOLYSA-N 1 0 340.423 2.720 40 0 EFABRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000195530937 474090458 /nfs/dbraw/zinc/09/04/58/474090458.db2.gz HRZRBEIPJPMQGE-RTBURBONSA-N 1 0 330.472 2.926 40 0 EFABRO COc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1Cc1ccccc1 ZINC000195543099 474092279 /nfs/dbraw/zinc/09/22/79/474092279.db2.gz CNZRMEZRFICFOV-GOSISDBHSA-N 1 0 340.423 2.603 40 0 EFABRO Cc1c(C(=O)N2CCC[C@@H](CCC(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000195543721 474092639 /nfs/dbraw/zinc/09/26/39/474092639.db2.gz LNICXNQPPKTRGD-INIZCTEOSA-N 1 0 347.507 2.799 40 0 EFABRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000195547075 474093354 /nfs/dbraw/zinc/09/33/54/474093354.db2.gz TZYUFVILGXCPOO-JHJVBQTASA-N 1 0 343.290 2.849 40 0 EFABRO C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)n1 ZINC000195544105 474093549 /nfs/dbraw/zinc/09/35/49/474093549.db2.gz KGYYQIWCBVXLQE-UKRRQHHQSA-N 1 0 330.457 2.526 40 0 EFABRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c(Br)c1 ZINC000195550581 474093854 /nfs/dbraw/zinc/09/38/54/474093854.db2.gz LLWMQKBRMARSLQ-QWRGUYRKSA-N 1 0 339.237 2.789 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000195551373 474094038 /nfs/dbraw/zinc/09/40/38/474094038.db2.gz ONXYHBVYGPYILE-BBWFWOEESA-N 1 0 336.476 2.791 40 0 EFABRO CC(C)n1cnnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000195552864 474094793 /nfs/dbraw/zinc/09/47/93/474094793.db2.gz OQXOCJWTLCXXLZ-GOOCMWNKSA-N 1 0 349.479 2.879 40 0 EFABRO Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000195556998 474095052 /nfs/dbraw/zinc/09/50/52/474095052.db2.gz SVCDHVLTFJEZPA-OXJNMPFZSA-N 1 0 346.471 2.559 40 0 EFABRO C[C@H](CO)[NH2+][C@@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558097 474096058 /nfs/dbraw/zinc/09/60/58/474096058.db2.gz CMCGEYPWKDJBIC-ABAIWWIYSA-N 1 0 328.250 2.887 40 0 EFABRO Cn1cc([C@@](C)(O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cn1 ZINC000195560705 474096118 /nfs/dbraw/zinc/09/61/18/474096118.db2.gz DAFVQUIEGGMXLE-MOPGFXCFSA-N 1 0 340.402 2.541 40 0 EFABRO C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558090 474096153 /nfs/dbraw/zinc/09/61/53/474096153.db2.gz CYYRSSQVWKKGHA-XHDPSFHLSA-N 1 0 328.250 2.887 40 0 EFABRO O=C(NCC[NH2+]Cc1sccc1Br)c1ccco1 ZINC000195564493 474097293 /nfs/dbraw/zinc/09/72/93/474097293.db2.gz WOUFWSLGQRLOOK-UHFFFAOYSA-N 1 0 329.219 2.623 40 0 EFABRO O=S1(=O)CC[C@H]([NH2+]CCC[C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000195568630 474097601 /nfs/dbraw/zinc/09/76/01/474097601.db2.gz RWPMSARSHJBIGH-PVAVHDDUSA-N 1 0 337.485 2.826 40 0 EFABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000195566254 474097642 /nfs/dbraw/zinc/09/76/42/474097642.db2.gz DAMFBBBDDJADGM-RDJZCZTQSA-N 1 0 328.460 2.705 40 0 EFABRO C[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1C ZINC000195568837 474097949 /nfs/dbraw/zinc/09/79/49/474097949.db2.gz MICLXXGHIQJXDX-KJWYOANISA-N 1 0 339.501 2.712 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000195570374 474098561 /nfs/dbraw/zinc/09/85/61/474098561.db2.gz JLFHNTFQJPRKBC-ZDUSSCGKSA-N 1 0 348.878 2.957 40 0 EFABRO C[NH2+]Cc1ccc([C@@H]2CC3=C4C(=CC(=O)NC[C@@H]4C2)C(F)=N3)cc1 ZINC000214087284 474137047 /nfs/dbraw/zinc/13/70/47/474137047.db2.gz CCIDINVPNOADML-KBPBESRZSA-N 1 0 325.387 2.592 40 0 EFABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223210057 474180171 /nfs/dbraw/zinc/18/01/71/474180171.db2.gz OJZYXDDGKNTHCS-CVEARBPZSA-N 1 0 330.457 2.599 40 0 EFABRO Fc1cccc(CN2Cc3ccnn3C[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000247556920 474180843 /nfs/dbraw/zinc/18/08/43/474180843.db2.gz XOHHNFSJNODSSH-KRWDZBQOSA-N 1 0 328.435 2.750 40 0 EFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 ZINC000223252802 474181598 /nfs/dbraw/zinc/18/15/98/474181598.db2.gz QJDOVPACXUQICN-HUUCEWRRSA-N 1 0 332.498 2.677 40 0 EFABRO COc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000223262334 474181738 /nfs/dbraw/zinc/18/17/38/474181738.db2.gz MRMVXEFSCBMKJL-UHFFFAOYSA-N 1 0 346.880 2.503 40 0 EFABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1 ZINC000223252383 474182783 /nfs/dbraw/zinc/18/27/83/474182783.db2.gz RKHOSICRNLLGDG-HZPDHXFCSA-N 1 0 330.457 2.517 40 0 EFABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+](C)C)cc1Cl ZINC000225402905 474209319 /nfs/dbraw/zinc/20/93/19/474209319.db2.gz BLIVHDDQFQCXSU-UHFFFAOYSA-N 1 0 343.880 2.755 40 0 EFABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225434207 474212173 /nfs/dbraw/zinc/21/21/73/474212173.db2.gz UCYUWWJJCJSISM-UHFFFAOYSA-N 1 0 349.500 2.944 40 0 EFABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCCC2)c(C)c1 ZINC000225434264 474212244 /nfs/dbraw/zinc/21/22/44/474212244.db2.gz PYTVWOPXJURDSW-UHFFFAOYSA-N 1 0 349.500 2.944 40 0 EFABRO CC[NH+](CC)C[C@@H]1CCC2(CN(C(=O)c3cc(C)oc3C)C2)OC1 ZINC000247816106 474214119 /nfs/dbraw/zinc/21/41/19/474214119.db2.gz CVEMHLIPNNTKBV-INIZCTEOSA-N 1 0 334.460 2.859 40 0 EFABRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000225470836 474214554 /nfs/dbraw/zinc/21/45/54/474214554.db2.gz ZJDKDIRIUKRCFS-VQIMIIECSA-N 1 0 342.414 2.844 40 0 EFABRO C[NH2+]CC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000225471637 474214701 /nfs/dbraw/zinc/21/47/01/474214701.db2.gz SHFTUDUMIMANOW-ISVAXAHUSA-N 1 0 329.263 2.568 40 0 EFABRO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000225472259 474215418 /nfs/dbraw/zinc/21/54/18/474215418.db2.gz SDYGMVOZGWWMKQ-QWRGUYRKSA-N 1 0 343.290 2.655 40 0 EFABRO CC[NH+](CC)C[C@@H]1Cn2nccc2CN(C(=O)c2cc(C)oc2C)C1 ZINC000247844562 474215698 /nfs/dbraw/zinc/21/56/98/474215698.db2.gz RRCMTUJJJCTFKW-INIZCTEOSA-N 1 0 344.459 2.707 40 0 EFABRO [NH3+][C@H](CC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476523 474216919 /nfs/dbraw/zinc/21/69/19/474216919.db2.gz XOUZHTTVFNLXDP-QZTJIDSGSA-N 1 0 328.387 2.816 40 0 EFABRO COC(=O)C[C@]1([NH2+]Cc2ccc3nc(C)ccc3c2)CCCOC1 ZINC000225481807 474217113 /nfs/dbraw/zinc/21/71/13/474217113.db2.gz SEWQXVYHHMTKKF-LJQANCHMSA-N 1 0 328.412 2.745 40 0 EFABRO CC[NH+](CC)[C@@H](CNc1nc2c(cnn2C)c(N)n1)c1ccsc1 ZINC000225511191 474219051 /nfs/dbraw/zinc/21/90/51/474219051.db2.gz PNZKFQKNARSOMO-ZDUSSCGKSA-N 1 0 345.476 2.502 40 0 EFABRO c1ccc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000247879493 474220429 /nfs/dbraw/zinc/22/04/29/474220429.db2.gz PLZZMIGDWZRXFH-YSIASYRMSA-N 1 0 339.439 2.673 40 0 EFABRO O=C(NCc1ccccc1)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225576376 474226756 /nfs/dbraw/zinc/22/67/56/474226756.db2.gz NXVDWCUAOSAODY-KRWDZBQOSA-N 1 0 333.501 2.703 40 0 EFABRO CCS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000225596483 474227570 /nfs/dbraw/zinc/22/75/70/474227570.db2.gz CAZQEQMDWUSJNA-MRXNPFEDSA-N 1 0 333.457 2.654 40 0 EFABRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2nc(C(C)C)no2)C1 ZINC000225603265 474228548 /nfs/dbraw/zinc/22/85/48/474228548.db2.gz LRVLNAMKKHAXFQ-CYBMUJFWSA-N 1 0 335.477 2.916 40 0 EFABRO Cc1cc(C(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)no1 ZINC000225688528 474235288 /nfs/dbraw/zinc/23/52/88/474235288.db2.gz QNXYIVNFLMFPSO-UHFFFAOYSA-N 1 0 331.441 2.707 40 0 EFABRO O=C(c1cc(C2CC2)on1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685337 474236179 /nfs/dbraw/zinc/23/61/79/474236179.db2.gz AVQSFNHVWZTJBO-KRWDZBQOSA-N 1 0 337.423 2.825 40 0 EFABRO CCc1cc(SCC[N@H+](C)Cc2ccccc2)n2ncnc2n1 ZINC000225713959 474238354 /nfs/dbraw/zinc/23/83/54/474238354.db2.gz HWBHUTMOLQNAES-UHFFFAOYSA-N 1 0 327.457 2.911 40 0 EFABRO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000182709814 474238763 /nfs/dbraw/zinc/23/87/63/474238763.db2.gz VNWIHGBLPIQMHJ-DLBZAZTESA-N 1 0 346.452 2.929 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2N)CC1 ZINC000226265296 474240137 /nfs/dbraw/zinc/24/01/37/474240137.db2.gz HAQFKUXXRPTUGD-UHFFFAOYSA-N 1 0 338.455 2.971 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2N)CC1 ZINC000226265309 474240302 /nfs/dbraw/zinc/24/03/02/474240302.db2.gz ZLVKTIQWZJGWSM-UHFFFAOYSA-N 1 0 338.455 2.971 40 0 EFABRO Cc1ncsc1CN1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000248001541 474242379 /nfs/dbraw/zinc/24/23/79/474242379.db2.gz CDEYJMXIRZOHAT-CYBMUJFWSA-N 1 0 333.482 2.985 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 ZINC000248026240 474246089 /nfs/dbraw/zinc/24/60/89/474246089.db2.gz MCBWIDSBSFPQDH-HZPDHXFCSA-N 1 0 340.471 2.527 40 0 EFABRO COc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(C)c1 ZINC000230482554 474260514 /nfs/dbraw/zinc/26/05/14/474260514.db2.gz MXUQVBACCKPJPC-UHFFFAOYSA-N 1 0 338.415 2.811 40 0 EFABRO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000230464392 474260739 /nfs/dbraw/zinc/26/07/39/474260739.db2.gz JSPOWVULJIRHAV-IAGOWNOFSA-N 1 0 331.460 2.629 40 0 EFABRO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccnc1 ZINC000248128813 474263900 /nfs/dbraw/zinc/26/39/00/474263900.db2.gz PSMGYCXHCXOEDX-GYFISPQKSA-N 1 0 327.472 2.797 40 0 EFABRO C[NH+](C)C[C@@H]1Cn2nccc2CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000248137465 474265836 /nfs/dbraw/zinc/26/58/36/474265836.db2.gz SCHCZPQORHXEOR-AWEZNQCLSA-N 1 0 336.842 2.869 40 0 EFABRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21 ZINC000248138275 474269255 /nfs/dbraw/zinc/26/92/55/474269255.db2.gz SIUKPUFXHINZGM-OAHLLOKOSA-N 1 0 340.452 2.857 40 0 EFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)CCc3ccccc3C)C2)C1 ZINC000248150583 474269817 /nfs/dbraw/zinc/26/98/17/474269817.db2.gz TXDASFHSKIHIRS-SFHVURJKSA-N 1 0 344.499 2.887 40 0 EFABRO CCOc1cccc(C(=O)N2CCOC[C@@H](CC[NH+](C)C)[C@@H]2C)c1 ZINC000248152645 474270318 /nfs/dbraw/zinc/27/03/18/474270318.db2.gz YDZVRCDCVITECX-DOTOQJQBSA-N 1 0 334.460 2.514 40 0 EFABRO Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CCN2C ZINC000248161242 474274464 /nfs/dbraw/zinc/27/44/64/474274464.db2.gz XRQCFEOEBCRIIW-INIZCTEOSA-N 1 0 332.444 2.551 40 0 EFABRO COC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248734243 474419122 /nfs/dbraw/zinc/41/91/22/474419122.db2.gz NAKSYSRMAGIPPI-HOTGVXAUSA-N 1 0 337.851 2.517 40 0 EFABRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000237911447 474501537 /nfs/dbraw/zinc/50/15/37/474501537.db2.gz NHLRZTZIHCYDNL-RRFJBIMHSA-N 1 0 342.361 2.733 40 0 EFABRO COc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000238860313 474542956 /nfs/dbraw/zinc/54/29/56/474542956.db2.gz KNORWDOSBUVVGN-LJQANCHMSA-N 1 0 336.435 2.968 40 0 EFABRO O=C([C@H](F)CC1CCCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000241368021 474554225 /nfs/dbraw/zinc/55/42/25/474554225.db2.gz MJJRKGQIRHVGLH-QZTJIDSGSA-N 1 0 340.483 2.866 40 0 EFABRO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000245228132 474572762 /nfs/dbraw/zinc/57/27/62/474572762.db2.gz FZYGLXLTKSKKPV-HBFSDRIKSA-N 1 0 332.488 2.515 40 0 EFABRO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)NC(=O)Nc1ccccc1F ZINC000245285592 474573232 /nfs/dbraw/zinc/57/32/32/474573232.db2.gz XWUQWDSRQZOLTG-KGLIPLIRSA-N 1 0 333.407 2.986 40 0 EFABRO COc1ccccc1[C@H](C)C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245289941 474573688 /nfs/dbraw/zinc/57/36/88/474573688.db2.gz GFQUEAKWQYVZPD-UKPHBRMFSA-N 1 0 325.474 2.744 40 0 EFABRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000245343924 474574438 /nfs/dbraw/zinc/57/44/38/474574438.db2.gz WMLKZBPYNRHQGQ-OZVIIMIRSA-N 1 0 340.826 2.677 40 0 EFABRO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1C[C@H]1CCCO1 ZINC000249686001 474603704 /nfs/dbraw/zinc/60/37/04/474603704.db2.gz GHPVEBCLVHQZML-PWIZWCRZSA-N 1 0 331.504 2.952 40 0 EFABRO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000249685999 474603874 /nfs/dbraw/zinc/60/38/74/474603874.db2.gz GHPVEBCLVHQZML-DBVUQKKJSA-N 1 0 331.504 2.952 40 0 EFABRO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000252477385 474663164 /nfs/dbraw/zinc/66/31/64/474663164.db2.gz MVYDGTGDJMURAC-HPFXQQBRSA-N 1 0 337.508 2.611 40 0 EFABRO C[NH+](C)C1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1 ZINC000252481069 474668040 /nfs/dbraw/zinc/66/80/40/474668040.db2.gz CHLVUBZBRHFWCQ-UHFFFAOYSA-N 1 0 343.471 2.596 40 0 EFABRO COc1ccc(C2(CNC3=[NH+]CCCN3)CCCCC2)cc1OC ZINC000252486896 474673787 /nfs/dbraw/zinc/67/37/87/474673787.db2.gz HQCOBUNZKFVXAE-UHFFFAOYSA-N 1 0 331.460 2.845 40 0 EFABRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490339 474674580 /nfs/dbraw/zinc/67/45/80/474674580.db2.gz KPYJNTFBBJAAGH-BZUAXINKSA-N 1 0 331.522 2.727 40 0 EFABRO CO[C@H](C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489978 474675533 /nfs/dbraw/zinc/67/55/33/474675533.db2.gz KGPAQTQHSRUBCN-RDTXWAMCSA-N 1 0 348.468 2.715 40 0 EFABRO CC(C)n1ncc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1N ZINC000252497266 474680349 /nfs/dbraw/zinc/68/03/49/474680349.db2.gz QCQZAJAVWWBRJB-UHFFFAOYSA-N 1 0 343.475 2.687 40 0 EFABRO COC(=O)C1CCC([NH2+][C@@H](C)[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000252509124 474686808 /nfs/dbraw/zinc/68/68/08/474686808.db2.gz YCVFSNVLFDNCKJ-JJDCNZKSSA-N 1 0 327.371 2.708 40 0 EFABRO COC(=O)C1CCC([NH2+][C@@H](C)[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000252509123 474688042 /nfs/dbraw/zinc/68/80/42/474688042.db2.gz YCVFSNVLFDNCKJ-DIXZTOCJSA-N 1 0 327.371 2.708 40 0 EFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000252518073 474692997 /nfs/dbraw/zinc/69/29/97/474692997.db2.gz ZGUQEAYRRWXYIK-KKUMJFAQSA-N 1 0 341.496 2.654 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@@H](O)C(F)(F)F ZINC000252585738 474699305 /nfs/dbraw/zinc/69/93/05/474699305.db2.gz KSMAZCXJJDTNFJ-FVQBIDKESA-N 1 0 330.394 2.752 40 0 EFABRO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000253398470 474737426 /nfs/dbraw/zinc/73/74/26/474737426.db2.gz RAYWELQYFDFJSX-OAHLLOKOSA-N 1 0 346.562 2.552 40 0 EFABRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@@H](C)C1 ZINC000253404258 474739087 /nfs/dbraw/zinc/73/90/87/474739087.db2.gz IHMGFIHYGMMVKP-BLLLJJGKSA-N 1 0 334.851 2.790 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740851 /nfs/dbraw/zinc/74/08/51/474740851.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 1 0 343.515 2.686 40 0 biogenic,in-vitro EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000253419917 474746893 /nfs/dbraw/zinc/74/68/93/474746893.db2.gz DYGDUMWMNDGAAH-SJLPKXTDSA-N 1 0 346.471 2.545 40 0 EFABRO COc1cc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cc2c1OCCO2 ZINC000253422925 474748302 /nfs/dbraw/zinc/74/83/02/474748302.db2.gz JOQVYTFHXRIOIZ-NSHDSACASA-N 1 0 331.416 2.668 40 0 EFABRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccnn1-c1ccc(F)cc1)CC2 ZINC000253427536 474753421 /nfs/dbraw/zinc/75/34/21/474753421.db2.gz CFULJGYARQWJNM-KRWDZBQOSA-N 1 0 343.402 2.787 40 0 EFABRO COC(=O)[C@H]1C[C@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 ZINC000253433415 474757472 /nfs/dbraw/zinc/75/74/72/474757472.db2.gz WPIPQWWGVTWTLF-IRXDYDNUSA-N 1 0 342.443 2.638 40 0 EFABRO c1nc(N2CCCC2)cc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000253433404 474757642 /nfs/dbraw/zinc/75/76/42/474757642.db2.gz WLSFTMOZXMFUOM-KRWDZBQOSA-N 1 0 346.475 2.631 40 0 EFABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000253612745 474773117 /nfs/dbraw/zinc/77/31/17/474773117.db2.gz IZWKBHMVRKCCRM-RCFCFVIZSA-N 1 0 327.509 2.934 40 0 EFABRO CC(C)[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306125516 474806362 /nfs/dbraw/zinc/80/63/62/474806362.db2.gz CTCCSUXJZMVWKL-UHFFFAOYSA-N 1 0 343.450 2.729 40 0 EFABRO CCCCC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)CC[N@@H+]2C ZINC000306125983 474807048 /nfs/dbraw/zinc/80/70/48/474807048.db2.gz DIGODURQMGDTPW-QGZVFWFLSA-N 1 0 345.487 2.711 40 0 EFABRO Cc1nnc2n1C1(CC[NH+](Cc3cccc(Cl)c3)CC1)CN(C)C2 ZINC000306125414 474807081 /nfs/dbraw/zinc/80/70/81/474807081.db2.gz CPQAJHGFHWGOIB-UHFFFAOYSA-N 1 0 345.878 2.677 40 0 EFABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000306127706 474807326 /nfs/dbraw/zinc/80/73/26/474807326.db2.gz GFGOEDLLSCGTQG-DLBZAZTESA-N 1 0 327.453 2.841 40 0 EFABRO CCC[NH+]1CCC(N2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135943 474809290 /nfs/dbraw/zinc/80/92/90/474809290.db2.gz PEZVVCFAXYMTME-VQIMIIECSA-N 1 0 342.487 2.709 40 0 EFABRO O=C(C1CCC1)N1CC2(C1)C[C@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306134007 474809395 /nfs/dbraw/zinc/80/93/95/474809395.db2.gz NBPZKFNJNOSTQA-GOSISDBHSA-N 1 0 346.515 2.916 40 0 EFABRO Cc1ccsc1C[N@H+]1CCOC[C@H](CC(=O)N2CCCC2)[C@H]1C ZINC000306133934 474809505 /nfs/dbraw/zinc/80/95/05/474809505.db2.gz MZRGLIAIUITGEF-CVEARBPZSA-N 1 0 336.501 2.906 40 0 EFABRO c1cc2c(cccc2C[N@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)[nH]1 ZINC000306134234 474810155 /nfs/dbraw/zinc/81/01/55/474810155.db2.gz NGNBPUZYQDICHX-KVSKMBFKSA-N 1 0 349.438 2.517 40 0 EFABRO CCC[N@@H+]1CCC[C@@H](c2ccnc3c(C(=O)NCC(C)C)cnn32)C1 ZINC000306132586 474810809 /nfs/dbraw/zinc/81/08/09/474810809.db2.gz LMYPFOFTKAHFPP-OAHLLOKOSA-N 1 0 343.475 2.705 40 0 EFABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000306137638 474811237 /nfs/dbraw/zinc/81/12/37/474811237.db2.gz RBZXFKBPRNAVRJ-PKOBYXMFSA-N 1 0 340.448 2.856 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144460 474812326 /nfs/dbraw/zinc/81/23/26/474812326.db2.gz ZFYUASLYBDVJTO-WMZOPIPTSA-N 1 0 333.439 2.588 40 0 EFABRO COc1cccc(O[C@H]2CC[N@H+](Cc3ncccc3C)CC[C@@H]2O)c1 ZINC000257229065 474926776 /nfs/dbraw/zinc/92/67/76/474926776.db2.gz FWOIJZDEFQRIOL-PMACEKPBSA-N 1 0 342.439 2.803 40 0 EFABRO Cc1ncsc1C(=O)N1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257283168 474929093 /nfs/dbraw/zinc/92/90/93/474929093.db2.gz OXAJCGDXFIQJIH-CYBMUJFWSA-N 1 0 330.457 2.851 40 0 EFABRO Cc1nc([C@H]2CCCC[NH2+]2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000257287378 474932427 /nfs/dbraw/zinc/93/24/27/474932427.db2.gz PPRBHJIIAFOULQ-MRXNPFEDSA-N 1 0 328.391 2.669 40 0 EFABRO Cc1ncc(CN2CC[NH2+]C[C@H]2c2ccc(OC(C)C)cc2)cn1 ZINC000257283548 474932811 /nfs/dbraw/zinc/93/28/11/474932811.db2.gz OYUQZAHYIVPTHW-IBGZPJMESA-N 1 0 326.444 2.719 40 0 EFABRO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)c1ccccc1 ZINC000257293366 474936904 /nfs/dbraw/zinc/93/69/04/474936904.db2.gz QPEBSYCGLBCWIH-NRFANRHFSA-N 1 0 340.467 2.684 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCc2cccs2)cc1 ZINC000257295331 474938210 /nfs/dbraw/zinc/93/82/10/474938210.db2.gz QXXDCZXSATZMNV-QGZVFWFLSA-N 1 0 330.453 2.862 40 0 EFABRO c1cc(CC2CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)ccn1 ZINC000257298549 474938569 /nfs/dbraw/zinc/93/85/69/474938569.db2.gz RMEZBRBHZKVIAP-UHFFFAOYSA-N 1 0 337.471 2.927 40 0 EFABRO Cc1cccc(C[N@@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257296249 474939230 /nfs/dbraw/zinc/93/92/30/474939230.db2.gz RBXCFFJZLGWZOU-QGZVFWFLSA-N 1 0 336.439 2.957 40 0 EFABRO FC(F)(F)c1ccc(OCCc2cc([C@@H]3C[NH2+]CCO3)[nH]n2)cc1 ZINC000257300137 474939892 /nfs/dbraw/zinc/93/98/92/474939892.db2.gz RTAXIDKCUHQRML-HNNXBMFYSA-N 1 0 341.333 2.711 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257305480 474943502 /nfs/dbraw/zinc/94/35/02/474943502.db2.gz SQFXVMHXBLBVJK-MRXNPFEDSA-N 1 0 331.391 2.630 40 0 EFABRO Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)n1 ZINC000257307715 474944546 /nfs/dbraw/zinc/94/45/46/474944546.db2.gz SZXSSVDYJRCKQX-YOEHRIQHSA-N 1 0 340.418 2.604 40 0 EFABRO CC(C)Oc1cccc(C[N@@H+]2CCOC[C@@H](Cc3cnccn3)C2)c1 ZINC000257311076 474947476 /nfs/dbraw/zinc/94/74/76/474947476.db2.gz UHUYMNCHKCIINF-SFHVURJKSA-N 1 0 341.455 2.955 40 0 EFABRO Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C[NH+]3CCCC3)cn2)no1 ZINC000257312444 474947608 /nfs/dbraw/zinc/94/76/08/474947608.db2.gz UNZCPJCTPROCQE-SFHVURJKSA-N 1 0 340.427 2.951 40 0 EFABRO COc1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](OC)C3)cc2c1 ZINC000257311287 474947673 /nfs/dbraw/zinc/94/76/73/474947673.db2.gz UIUBJOHWGHPWSO-OALUTQOASA-N 1 0 330.428 2.946 40 0 EFABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257311276 474948172 /nfs/dbraw/zinc/94/81/72/474948172.db2.gz UITJPRPFMTUSPZ-QGZVFWFLSA-N 1 0 336.439 2.731 40 0 EFABRO CNc1cc([C@H]2CCCN2C(=O)c2cccc3c2OCCO3)ccn1 ZINC000257320817 474950863 /nfs/dbraw/zinc/95/08/63/474950863.db2.gz VYTUIBIPDOXBNW-OAHLLOKOSA-N 1 0 339.395 2.872 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257323665 474953766 /nfs/dbraw/zinc/95/37/66/474953766.db2.gz WLHJZBQKJWEKTP-SFHVURJKSA-N 1 0 338.455 2.993 40 0 EFABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000257325362 474955886 /nfs/dbraw/zinc/95/58/86/474955886.db2.gz WSQCJIZGGHJSBT-IBGZPJMESA-N 1 0 339.439 2.886 40 0 EFABRO CC(=O)NCc1nccnc1C1CC[NH+](Cc2ccsc2)CC1 ZINC000257329641 474956525 /nfs/dbraw/zinc/95/65/25/474956525.db2.gz XKVFCTPNVTWJJN-UHFFFAOYSA-N 1 0 330.457 2.554 40 0 EFABRO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3ccsc3)CCN2C)c1 ZINC000257327519 474957144 /nfs/dbraw/zinc/95/71/44/474957144.db2.gz XBRBSZNSKAAYHN-KRWDZBQOSA-N 1 0 329.469 2.596 40 0 EFABRO COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257330174 474957424 /nfs/dbraw/zinc/95/74/24/474957424.db2.gz XNFDIWSRZDXQQS-ICSRJNTNSA-N 1 0 346.471 2.858 40 0 EFABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000257333429 474959087 /nfs/dbraw/zinc/95/90/87/474959087.db2.gz YBMFMOZCGXIQAO-CQSZACIVSA-N 1 0 341.459 2.553 40 0 EFABRO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](N(C)c4ccc(C)nn4)CC[C@@H]3C2)cs1 ZINC000257333882 474959829 /nfs/dbraw/zinc/95/98/29/474959829.db2.gz YDMTZPUPCNDSJQ-HYVNUMGLSA-N 1 0 343.500 2.897 40 0 EFABRO CCn1cc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 ZINC000257336455 474961615 /nfs/dbraw/zinc/96/16/15/474961615.db2.gz YOMUUUNYFCMCKC-PMACEKPBSA-N 1 0 341.455 2.853 40 0 EFABRO Cc1ncc(CNC(=O)c2cc(F)ccc2F)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257335885 474961897 /nfs/dbraw/zinc/96/18/97/474961897.db2.gz YMHKANNPRVRLAT-INIZCTEOSA-N 1 0 346.381 2.760 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257344193 474966018 /nfs/dbraw/zinc/96/60/18/474966018.db2.gz ZWCWTBPIOCBLBQ-OALUTQOASA-N 1 0 330.403 2.933 40 0 EFABRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC(c2ccsc2)CC1 ZINC000333229471 475876566 /nfs/dbraw/zinc/87/65/66/475876566.db2.gz BQDJEXZOWJSLGU-KRWDZBQOSA-N 1 0 344.484 2.889 40 0 EFABRO C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(N2CCSCC2)ncn1 ZINC000302875912 476210798 /nfs/dbraw/zinc/21/07/98/476210798.db2.gz FFORHSZGJXOABG-QWHCGFSZSA-N 1 0 334.445 2.547 40 0 EFABRO CCOc1ccc(C[N@@H+]2C[C@H](SC)C[C@H]2C(=O)NC2CC2)cc1 ZINC000390823288 476799884 /nfs/dbraw/zinc/79/98/84/476799884.db2.gz YCCBECPNXVBVTD-SJORKVTESA-N 1 0 334.485 2.670 40 0 EFABRO [NH3+]Cc1cc(NC(=O)[C@H]2CCc3c[nH]nc3C2)cc(C(F)(F)F)c1 ZINC000390833311 476805063 /nfs/dbraw/zinc/80/50/63/476805063.db2.gz FYLVYPQBBXPLSV-JTQLQIEISA-N 1 0 338.333 2.631 40 0 EFABRO C[C@H]1C[C@@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000390835083 476805998 /nfs/dbraw/zinc/80/59/98/476805998.db2.gz CGRYFZYUAWPFHG-GWCFXTLKSA-N 1 0 343.240 2.730 40 0 EFABRO C[NH+](C)CC[C@H]1Cn2cccc2CN(C(=O)C2CCSCC2)C1 ZINC000585095319 479280209 /nfs/dbraw/zinc/28/02/09/479280209.db2.gz PRYHQKABRMMQFG-HNNXBMFYSA-N 1 0 335.517 2.541 40 0 EFABRO O=C1N(Cc2cncs2)C[C@]12CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000585099704 479282675 /nfs/dbraw/zinc/28/26/75/479282675.db2.gz YTFXQPOCQWWYJF-OAHLLOKOSA-N 1 0 341.427 2.613 40 0 EFABRO Cc1cc(C[N@@H+]2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)n(C)n1 ZINC000585099304 479283231 /nfs/dbraw/zinc/28/32/31/479283231.db2.gz CKNSOLCIYVZZEB-HXUWFJFHSA-N 1 0 344.503 2.733 40 0 EFABRO COCC(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100156 479283490 /nfs/dbraw/zinc/28/34/90/479283490.db2.gz GURKTMIHGPFFJX-LJQANCHMSA-N 1 0 334.435 2.819 40 0 EFABRO Cc1nc(CN2CCC[C@]3(CN(Cc4cncs4)C3=O)C2)cs1 ZINC000585099354 479283591 /nfs/dbraw/zinc/28/35/91/479283591.db2.gz HDEOOGCXMVHORJ-MRXNPFEDSA-N 1 0 348.497 2.533 40 0 EFABRO Cc1cccnc1C[NH+]1CCC2(CC(NC(=O)OCCF)C2)CC1 ZINC000585103010 479283984 /nfs/dbraw/zinc/28/39/84/479283984.db2.gz KXIYNCALPWJGBG-UHFFFAOYSA-N 1 0 335.423 2.830 40 0 EFABRO Cn1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cn1 ZINC000585103479 479284232 /nfs/dbraw/zinc/28/42/32/479284232.db2.gz BIGOQBSMSBKZAY-SFHVURJKSA-N 1 0 333.476 2.608 40 0 EFABRO Cn1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cn1 ZINC000585103468 479284357 /nfs/dbraw/zinc/28/43/57/479284357.db2.gz BIGOQBSMSBKZAY-GOSISDBHSA-N 1 0 333.476 2.608 40 0 EFABRO O=C(NCC[C@H]1C[N@H+](CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111946 479289630 /nfs/dbraw/zinc/28/96/30/479289630.db2.gz FDIHYOMBTOMVCR-KRWDZBQOSA-N 1 0 345.491 2.626 40 0 EFABRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000585123411 479292385 /nfs/dbraw/zinc/29/23/85/479292385.db2.gz OHHMCFKNQUIGFM-CYBMUJFWSA-N 1 0 340.480 2.804 40 0 EFABRO Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000585140703 479298189 /nfs/dbraw/zinc/29/81/89/479298189.db2.gz JKQCUKTWINKWGY-UHFFFAOYSA-N 1 0 349.385 2.581 40 0 EFABRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000585141961 479300113 /nfs/dbraw/zinc/30/01/13/479300113.db2.gz JSLKOYXKJFRMKH-WBVHZDCISA-N 1 0 333.501 2.834 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000585261148 479304058 /nfs/dbraw/zinc/30/40/58/479304058.db2.gz STPKGCAGHRVTHY-HNNXBMFYSA-N 1 0 342.468 2.790 40 0 EFABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cccc3[nH]ccc32)c1 ZINC000585182489 479304104 /nfs/dbraw/zinc/30/41/04/479304104.db2.gz XNUZVUTYXLTQCY-FQEVSTJZSA-N 1 0 348.450 2.674 40 0 EFABRO CO[C@]1(COc2ccc(F)cc2)CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000585273118 479304577 /nfs/dbraw/zinc/30/45/77/479304577.db2.gz ASEYVYISYNDGPL-GOSISDBHSA-N 1 0 333.407 2.917 40 0 EFABRO CO[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585276292 479306176 /nfs/dbraw/zinc/30/61/76/479306176.db2.gz HVRCJPDGKOAQDU-SFHVURJKSA-N 1 0 333.407 2.836 40 0 EFABRO Cc1cccc(N2CCC(O)(C[N@@H+](C)[C@H]3CCCC[C@H]3O)CC2)c1 ZINC000585284599 479307805 /nfs/dbraw/zinc/30/78/05/479307805.db2.gz UBEGIAHHQNQERO-RBUKOAKNSA-N 1 0 332.488 2.562 40 0 EFABRO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@@H+](C3CCCC3)C2)c1 ZINC000585281598 479307912 /nfs/dbraw/zinc/30/79/12/479307912.db2.gz MKTOZBMBSMBPBN-FQEVSTJZSA-N 1 0 333.472 2.997 40 0 EFABRO CCC(CC)[N@@H+]1CCOC[C@@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284336 479308569 /nfs/dbraw/zinc/30/85/69/479308569.db2.gz WYMURISXTXCMAV-QGZVFWFLSA-N 1 0 327.852 2.971 40 0 EFABRO CC(C)c1ncc(C[NH2+]C[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000585286000 479309210 /nfs/dbraw/zinc/30/92/10/479309210.db2.gz HALHEDBDWHODRY-BHIYHBOVSA-N 1 0 341.455 2.908 40 0 EFABRO O[C@@H]1[C@@H](C[NH2+]Cc2cnc[nH]2)CCC[C@H]1Oc1ccc(Cl)cc1 ZINC000585285432 479309336 /nfs/dbraw/zinc/30/93/36/479309336.db2.gz CWHAKGSRRMRFRT-CSMYWGQOSA-N 1 0 335.835 2.761 40 0 EFABRO CC(C)N1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585289158 479309452 /nfs/dbraw/zinc/30/94/52/479309452.db2.gz FMBYOHHVVHZATC-IPMKNSEASA-N 1 0 336.451 2.513 40 0 EFABRO Cc1n[nH]c(C)c1CCC[NH2+][C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H]1O ZINC000585285814 479309801 /nfs/dbraw/zinc/30/98/01/479309801.db2.gz MZULIBWSDKMOJT-QRVBRYPASA-N 1 0 347.434 2.659 40 0 EFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCCn3ccnc3)[C@H]2O)c1 ZINC000585289414 479309910 /nfs/dbraw/zinc/30/99/10/479309910.db2.gz QTDPCUVZCMPMPR-XUVXKRRUSA-N 1 0 343.471 2.922 40 0 EFABRO CCC(CC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2ccc(Cl)c(F)c2)C1 ZINC000585288086 479310089 /nfs/dbraw/zinc/31/00/89/479310089.db2.gz VNMZTVKZHGEQJT-IRXDYDNUSA-N 1 0 345.842 2.844 40 0 EFABRO CO[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)C[C@H]1Cc1ccc(C)cc1 ZINC000585289982 479310572 /nfs/dbraw/zinc/31/05/72/479310572.db2.gz PHTCABKMVQXJKO-ASIGSXEYSA-N 1 0 330.472 2.519 40 0 EFABRO CCOc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291750 479311013 /nfs/dbraw/zinc/31/10/13/479311013.db2.gz CDEXCVPJEHDIMW-VAMGGRTRSA-N 1 0 345.414 2.546 40 0 EFABRO C[NH+](C)C[C@@H]1CCC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)OC1 ZINC000575406716 479439567 /nfs/dbraw/zinc/43/95/67/479439567.db2.gz QYKIGRUOSMVAPG-CCLIWJKGSA-N 1 0 346.515 2.772 40 0 EFABRO COc1ncccc1C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 ZINC000575414710 479442144 /nfs/dbraw/zinc/44/21/44/479442144.db2.gz WHRXBBKQUQZGCM-CQSZACIVSA-N 1 0 336.395 2.836 40 0 EFABRO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000575605987 479450423 /nfs/dbraw/zinc/45/04/23/479450423.db2.gz IUKBQCHUYMIRCQ-CQSZACIVSA-N 1 0 340.826 2.710 40 0 EFABRO O=C(CCCc1ccccc1)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575608803 479451419 /nfs/dbraw/zinc/45/14/19/479451419.db2.gz VHVWCYBIYIZISU-IBGZPJMESA-N 1 0 330.472 2.626 40 0 EFABRO FC(F)(F)c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000664010607 480969340 /nfs/dbraw/zinc/96/93/40/480969340.db2.gz FKQDESWQHJEOGM-UHFFFAOYSA-N 1 0 335.395 2.853 40 0 EFABRO OC1(c2ccccc2)CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190340073 534342684 /nfs/dbraw/zinc/34/26/84/534342684.db2.gz FIXYSHZPBUMGLH-UHFFFAOYSA-N 1 0 331.456 2.903 40 0 EFABRO C[C@@H](Oc1ccccc1)C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225568902 525950280 /nfs/dbraw/zinc/95/02/80/525950280.db2.gz KMGNRVPMBSRLBA-WBVHZDCISA-N 1 0 348.512 2.788 40 0 EFABRO Cc1noc(C2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)n1 ZINC000066872412 526588500 /nfs/dbraw/zinc/58/85/00/526588500.db2.gz DOWJASOXIWKVDP-UHFFFAOYSA-N 1 0 334.464 2.644 40 0 EFABRO CCc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000195557806 535924465 /nfs/dbraw/zinc/92/44/65/535924465.db2.gz KMADVJFAYDUFBD-LJQANCHMSA-N 1 0 338.451 2.746 40 0 EFABRO C[NH+](C)CC[C@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2ccnn21 ZINC000248091209 535926270 /nfs/dbraw/zinc/92/62/70/535926270.db2.gz FQQWMJBSFGGZCY-SFHVURJKSA-N 1 0 349.438 2.580 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257251416 536050374 /nfs/dbraw/zinc/05/03/74/536050374.db2.gz JQRFCOHLURHJRT-DOJUMQAQSA-N 1 0 336.439 2.915 40 0 EFABRO C[N@H+](CCC(=O)N1CCC[C@H](c2nccs2)C1)Cc1ccccn1 ZINC000257259226 536303490 /nfs/dbraw/zinc/30/34/90/536303490.db2.gz KXKAKVIRGDLNGZ-HNNXBMFYSA-N 1 0 344.484 2.766 40 0 EFABRO COc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1Br ZINC000199783554 536533481 /nfs/dbraw/zinc/53/34/81/536533481.db2.gz FKESHNOMXIDNPZ-UHFFFAOYSA-N 1 0 338.205 2.975 40 0 EFABRO COc1ccc([C@H]2C[N@H+](Cc3c(C)nn(C)c3C)CCN2C)cc1 ZINC000257202660 536944327 /nfs/dbraw/zinc/94/43/27/536944327.db2.gz AMTXHHMWMFWNIE-LJQANCHMSA-N 1 0 328.460 2.534 40 0 EFABRO CCn1nncc1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000585087350 546371439 /nfs/dbraw/zinc/37/14/39/546371439.db2.gz SIXQNRPVUQMNGQ-MISYRCLQSA-N 1 0 339.487 2.688 40 0 EFABRO CC[C@@H]1CN(C(=O)c2cccc(C)c2)[C@H](CO)[C@@H]1C[NH+](CC)CC ZINC001772594967 1249141876 /nfs/dbraw/zinc/14/18/76/1249141876.db2.gz LSPJXHQVFNNHDK-BHIYHBOVSA-N 1 0 332.488 2.796 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)NC2CCCCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595904 1249166972 /nfs/dbraw/zinc/16/69/72/1249166972.db2.gz RWFBRGKRDINVOW-RYRKJORJSA-N 1 0 332.419 2.886 40 0 EFABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000952847829 1284864452 /nfs/dbraw/zinc/86/44/52/1284864452.db2.gz ACEKAVQGMPXQCD-IEBWSBKVSA-N 1 0 345.487 2.992 40 0 EFABRO CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCC[N@H+]2CC)c1O ZINC000001997240 1094604893 /nfs/dbraw/zinc/60/48/93/1094604893.db2.gz AADCDMQTJNYOSS-GFCCVEGCSA-N 1 0 340.851 2.831 40 0 world EFABRO C[C@H](C(=O)NC(=O)NC1CCCC1)[N@H+](C)CCCc1ccccc1 ZINC000052802731 214146533 /nfs/dbraw/zinc/14/65/33/214146533.db2.gz NHABFBULDXJPGP-OAHLLOKOSA-N 1 0 331.460 2.708 40 0 EFABRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000052840758 214149990 /nfs/dbraw/zinc/14/99/90/214149990.db2.gz ZYQYUOPHTYUERH-UHFFFAOYSA-N 1 0 343.471 2.809 40 0 EFABRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000053049730 214161527 /nfs/dbraw/zinc/16/15/27/214161527.db2.gz UQXONEJAMWKPLF-UHFFFAOYSA-N 1 0 327.403 2.749 40 0 EFABRO Cc1ncc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)n1 ZINC000180493020 282143730 /nfs/dbraw/zinc/14/37/30/282143730.db2.gz SSIABZYDSKDBKW-HNNXBMFYSA-N 1 0 338.455 2.830 40 0 EFABRO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000055374405 214313863 /nfs/dbraw/zinc/31/38/63/214313863.db2.gz BYZIUDKSAIYKBZ-SQNIBIBYSA-N 1 0 346.496 2.514 40 0 EFABRO Cc1ccc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000174857922 231325704 /nfs/dbraw/zinc/32/57/04/231325704.db2.gz KYNDUJXBGLVBRW-SFHVURJKSA-N 1 0 342.439 2.763 40 0 EFABRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1F ZINC000180937815 529585197 /nfs/dbraw/zinc/58/51/97/529585197.db2.gz RJUWIGVSZITCPR-KRWDZBQOSA-N 1 0 340.464 2.823 40 0 EFABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100177906 219093669 /nfs/dbraw/zinc/09/36/69/219093669.db2.gz WTBOBBBWOOHGGV-HDICACEKSA-N 1 0 334.460 2.927 40 0 EFABRO CC(C)[N@H+](CCN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178104 219094139 /nfs/dbraw/zinc/09/41/39/219094139.db2.gz CMOGGQYLBFWIAU-HDICACEKSA-N 1 0 333.476 2.893 40 0 EFABRO CC(C)(C)[NH2+]C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000004426141 210190716 /nfs/dbraw/zinc/19/07/16/210190716.db2.gz UAODBKBCPMOKSL-VIFPVBQESA-N 1 0 338.192 2.855 40 0 EFABRO CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000004279514 210159759 /nfs/dbraw/zinc/15/97/59/210159759.db2.gz KLYRCBSDCDYZGV-AWEZNQCLSA-N 1 0 328.250 2.921 40 0 EFABRO COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000003999112 210097534 /nfs/dbraw/zinc/09/75/34/210097534.db2.gz CZLWGXKWXLVFJU-SBDPWIONSA-N 1 0 338.451 2.786 40 0 biogenic EFABRO CC(C)Sc1ccccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000067509884 215155633 /nfs/dbraw/zinc/15/56/33/215155633.db2.gz WVWLXXWLRBWYIT-UHFFFAOYSA-N 1 0 335.517 2.554 40 0 EFABRO Cc1cccc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)c1C ZINC000067698629 215189483 /nfs/dbraw/zinc/18/94/83/215189483.db2.gz KCOLWNUFZNRBIK-INIZCTEOSA-N 1 0 341.377 2.967 40 0 EFABRO CN(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccncc3)C2(C)C)no1 ZINC000067889800 215242338 /nfs/dbraw/zinc/24/23/38/215242338.db2.gz FZLNKTGXPVPXIQ-QAPCUYQASA-N 1 0 328.460 2.878 40 0 biogenic,in-vitro EFABRO COc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000038755132 213224030 /nfs/dbraw/zinc/22/40/30/213224030.db2.gz GVXVTZFODCHHGR-MRXNPFEDSA-N 1 0 334.460 2.701 40 0 EFABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000036741278 213116356 /nfs/dbraw/zinc/11/63/56/213116356.db2.gz DWRRNDHXFIIYEN-AZUAARDMSA-N 1 0 327.424 2.712 40 0 EFABRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187652306 236269405 /nfs/dbraw/zinc/26/94/05/236269405.db2.gz AIMXKCVEJKGULI-ZDUSSCGKSA-N 1 0 344.908 2.847 40 0 EFABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000035424939 213027756 /nfs/dbraw/zinc/02/77/56/213027756.db2.gz DRZWVIBCCGIPQQ-HNNXBMFYSA-N 1 0 343.431 2.737 40 0 biogenic,in-vitro EFABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)C)n2)ccn1 ZINC000035424789 213027418 /nfs/dbraw/zinc/02/74/18/213027418.db2.gz WKYVFKXSUZSQSP-HNNXBMFYSA-N 1 0 346.431 2.950 40 0 biogenic,in-vitro EFABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000035424888 213027470 /nfs/dbraw/zinc/02/74/70/213027470.db2.gz ZGOXKBIRBDDVAW-HNNXBMFYSA-N 1 0 345.447 2.983 40 0 biogenic,in-vitro EFABRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000188234400 236483796 /nfs/dbraw/zinc/48/37/96/236483796.db2.gz WWXKRQBGFBHBNP-BXUZGUMPSA-N 1 0 330.291 2.838 40 0 EFABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072355439 216165075 /nfs/dbraw/zinc/16/50/75/216165075.db2.gz ITGLBLUYPJMDHA-QGZVFWFLSA-N 1 0 348.454 2.999 40 0 EFABRO Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000072359761 216166136 /nfs/dbraw/zinc/16/61/36/216166136.db2.gz ZRPPDSQROVZIKQ-KRWDZBQOSA-N 1 0 338.455 2.720 40 0 EFABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358872 216166239 /nfs/dbraw/zinc/16/62/39/216166239.db2.gz PSGPBFGXYXWFTD-OAHLLOKOSA-N 1 0 342.418 2.550 40 0 EFABRO Cc1cc(-c2cnc(NCC[NH+](C)C)nc2-c2ccc(C)o2)on1 ZINC000072340113 216158570 /nfs/dbraw/zinc/15/85/70/216158570.db2.gz SNHMJXCNNIQMJH-UHFFFAOYSA-N 1 0 327.388 2.982 40 0 EFABRO COC[C@@H]1CN(C(=O)C2CCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354427 216161561 /nfs/dbraw/zinc/16/15/61/216161561.db2.gz TUIOGVRFHWPKRB-IBGZPJMESA-N 1 0 344.499 2.826 40 0 EFABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350568 216162376 /nfs/dbraw/zinc/16/23/76/216162376.db2.gz VUAQAYPUXALVGN-INIZCTEOSA-N 1 0 348.454 2.999 40 0 EFABRO C[C@@H](CCO)[NH+]1CCC(c2csc(Nc3cnccn3)n2)CC1 ZINC000072363699 216169922 /nfs/dbraw/zinc/16/99/22/216169922.db2.gz XUFKYDLIXXOOHH-LBPRGKRZSA-N 1 0 333.461 2.627 40 0 EFABRO C[NH2+]CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3C)n2)C1 ZINC000072363309 216170502 /nfs/dbraw/zinc/17/05/02/216170502.db2.gz XIPMMQCBKFSNQO-OAHLLOKOSA-N 1 0 340.427 2.503 40 0 EFABRO Cc1cc(C(=O)N(C)C2CCCCC2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365777 216172057 /nfs/dbraw/zinc/17/20/57/216172057.db2.gz MMOZNROFAHIUEI-OAHLLOKOSA-N 1 0 330.476 2.999 40 0 EFABRO Cc1cc(C(=O)NCc2ccccc2F)nc(C2CC[NH+](C)CC2)n1 ZINC000072365910 216172159 /nfs/dbraw/zinc/17/21/59/216172159.db2.gz XVYCLHBYKUYOMB-UHFFFAOYSA-N 1 0 342.418 2.663 40 0 EFABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)ncn1 ZINC000072377459 216179473 /nfs/dbraw/zinc/17/94/73/216179473.db2.gz VGPHVEOIMHJAJB-CYBMUJFWSA-N 1 0 327.436 2.640 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000072388869 216189151 /nfs/dbraw/zinc/18/91/51/216189151.db2.gz YDFJRZRLNMFGDH-UHFFFAOYSA-N 1 0 326.444 2.665 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1CCc1ccc(F)cc1 ZINC000072388677 216189527 /nfs/dbraw/zinc/18/95/27/216189527.db2.gz UROAPFVEOLDLEV-INIZCTEOSA-N 1 0 330.407 2.630 40 0 EFABRO CC[NH+](CC)CCNC(=O)c1cc(-c2cccnc2)c2cnccc2n1 ZINC000072390603 216190602 /nfs/dbraw/zinc/19/06/02/216190602.db2.gz CZMRQYXGHUNUTA-UHFFFAOYSA-N 1 0 349.438 2.763 40 0 EFABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[NH2+]C1 ZINC000072391926 216190803 /nfs/dbraw/zinc/19/08/03/216190803.db2.gz DYASRGBJQMZALF-FQEVSTJZSA-N 1 0 338.455 2.581 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393208 216191372 /nfs/dbraw/zinc/19/13/72/216191372.db2.gz SZWCZLYNNAXGKF-MRXNPFEDSA-N 1 0 347.422 2.607 40 0 EFABRO COCC(=O)NC1CC[NH+](CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000072393517 216192823 /nfs/dbraw/zinc/19/28/23/216192823.db2.gz VYIIJDZFIMUVQT-UHFFFAOYSA-N 1 0 348.462 2.865 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 ZINC000130220002 223134420 /nfs/dbraw/zinc/13/44/20/223134420.db2.gz GZBYOZGHBWJSMR-NSHDSACASA-N 1 0 345.365 2.520 40 0 EFABRO CCC[C@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000072659331 216288912 /nfs/dbraw/zinc/28/89/12/216288912.db2.gz QGWSXVPMDCADRI-HNNXBMFYSA-N 1 0 334.460 2.975 40 0 EFABRO C[N@H+](Cc1cc(=O)c(O)co1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666709 216289868 /nfs/dbraw/zinc/28/98/68/216289868.db2.gz AJXYWZJAFVFWCK-UHFFFAOYSA-N 1 0 332.375 2.585 40 0 EFABRO CC[C@](C)([NH2+]CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000072684346 216293222 /nfs/dbraw/zinc/29/32/22/216293222.db2.gz WFOUAWHPVJAUGR-KRWDZBQOSA-N 1 0 329.425 2.654 40 0 EFABRO O=c1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccn12 ZINC000072867379 216322490 /nfs/dbraw/zinc/32/24/90/216322490.db2.gz VEOCNSWWVMSCTL-RTBURBONSA-N 1 0 349.434 2.783 40 0 EFABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]21)N1CCCC1 ZINC000096043320 296038960 /nfs/dbraw/zinc/03/89/60/296038960.db2.gz GATFATGCZUPUOX-IXDOHACOSA-N 1 0 334.485 2.598 40 0 EFABRO O=C(C[N@@H+](CCc1cccc(F)c1)C1CC1)NCc1cccnc1 ZINC000072978060 216336150 /nfs/dbraw/zinc/33/61/50/216336150.db2.gz JKYAMPJKYOYSKK-UHFFFAOYSA-N 1 0 327.403 2.544 40 0 EFABRO Cc1n[nH]cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000073303068 216374857 /nfs/dbraw/zinc/37/48/57/216374857.db2.gz RBLSSHNUFCEOMT-CYBMUJFWSA-N 1 0 328.416 2.691 40 0 EFABRO O=S(=O)(NCC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000023127588 212352727 /nfs/dbraw/zinc/35/27/27/212352727.db2.gz ZFVFABAYVCWPSX-UHFFFAOYSA-N 1 0 328.503 2.681 40 0 EFABRO Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023016753 212342590 /nfs/dbraw/zinc/34/25/90/212342590.db2.gz XLNRCMMBUYDLIO-UHFFFAOYSA-N 1 0 342.439 2.995 40 0 EFABRO Cc1cc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c(C)[nH]1 ZINC000022787524 212324478 /nfs/dbraw/zinc/32/44/78/212324478.db2.gz KQRCCJLWEIUDRB-IBGZPJMESA-N 1 0 331.435 2.934 40 0 EFABRO Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000022887518 212331728 /nfs/dbraw/zinc/33/17/28/212331728.db2.gz MPTOGCNXMRAPRI-FQEVSTJZSA-N 1 0 325.456 2.550 40 0 EFABRO CC[NH+]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000022583977 212308988 /nfs/dbraw/zinc/30/89/88/212308988.db2.gz SXMDGPVBQIXKEK-UHFFFAOYSA-N 1 0 344.503 2.643 40 0 EFABRO CCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCCCC2)c1=O ZINC000022697482 212317183 /nfs/dbraw/zinc/31/71/83/212317183.db2.gz INGBKJCJNXKKRB-GOSISDBHSA-N 1 0 327.428 2.853 40 0 EFABRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(=O)[nH]c1 ZINC000022619258 212311025 /nfs/dbraw/zinc/31/10/25/212311025.db2.gz USBLOZYWKISAGL-INIZCTEOSA-N 1 0 345.830 2.595 40 0 EFABRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499639 240307728 /nfs/dbraw/zinc/30/77/28/240307728.db2.gz SDDHHVVWJBUFNQ-RKDXNWHRSA-N 1 0 335.206 2.688 40 0 EFABRO Cc1c[nH]c(-c2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)nc(C)n2)n1 ZINC000257339427 240312798 /nfs/dbraw/zinc/31/27/98/240312798.db2.gz ZBRNJSCNKDOVNO-INIZCTEOSA-N 1 0 334.427 2.868 40 0 EFABRO CCCn1cc(Cl)c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000257326118 240313093 /nfs/dbraw/zinc/31/30/93/240313093.db2.gz WVWXTSPDSULKQC-OAHLLOKOSA-N 1 0 332.835 2.733 40 0 EFABRO CCCN(C(=O)c1cc(C)n(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000195543741 240994654 /nfs/dbraw/zinc/99/46/54/240994654.db2.gz SCBLSNDQRGKBGN-UHFFFAOYSA-N 1 0 326.444 2.785 40 0 EFABRO Brc1cncnc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000195570819 241016396 /nfs/dbraw/zinc/01/63/96/241016396.db2.gz MNILEUYMMKGWNZ-GFCCVEGCSA-N 1 0 325.254 2.694 40 0 EFABRO C[NH2+]CCCN(C)c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799818 241040301 /nfs/dbraw/zinc/04/03/01/241040301.db2.gz RNJRWCRUVTZDFT-UHFFFAOYSA-N 1 0 342.781 2.593 40 0 EFABRO C[NH2+]CCN(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199800383 241040932 /nfs/dbraw/zinc/04/09/32/241040932.db2.gz ITTIBLISGSAFMF-UHFFFAOYSA-N 1 0 327.219 2.578 40 0 EFABRO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022029780 212273245 /nfs/dbraw/zinc/27/32/45/212273245.db2.gz AJSDXPFEUQMXMR-JXFKEZNVSA-N 1 0 337.467 2.857 40 0 EFABRO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022029789 212273059 /nfs/dbraw/zinc/27/30/59/212273059.db2.gz AJSDXPFEUQMXMR-OXQOHEQNSA-N 1 0 337.467 2.857 40 0 EFABRO COC[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048892 241293916 /nfs/dbraw/zinc/29/39/16/241293916.db2.gz MANRXEBQSVJHMS-FHWLQOOXSA-N 1 0 345.464 2.526 40 0 EFABRO Nc1c(F)cc(Cl)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000225801349 242040397 /nfs/dbraw/zinc/04/03/97/242040397.db2.gz IMMNJSIZZAEUAD-UHFFFAOYSA-N 1 0 325.815 2.666 40 0 EFABRO COC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225737108 242011465 /nfs/dbraw/zinc/01/14/65/242011465.db2.gz LTXLDKYFJJJERE-CQSZACIVSA-N 1 0 349.500 2.882 40 0 EFABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCC1 ZINC000225753566 242019410 /nfs/dbraw/zinc/01/94/10/242019410.db2.gz GVANIUALYBTVPZ-INIZCTEOSA-N 1 0 330.472 2.935 40 0 EFABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000230104498 242231790 /nfs/dbraw/zinc/23/17/90/242231790.db2.gz LNUPTHQNWBYSRS-IRXDYDNUSA-N 1 0 338.407 2.742 40 0 EFABRO CCO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969492 243008788 /nfs/dbraw/zinc/00/87/88/243008788.db2.gz UWQORDYKBWRBKB-OALUTQOASA-N 1 0 341.455 2.936 40 0 EFABRO C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000245289553 243102891 /nfs/dbraw/zinc/10/28/91/243102891.db2.gz CPOZXWSTQPAXDA-MNEFBYGVSA-N 1 0 345.487 2.631 40 0 EFABRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000248716857 243610195 /nfs/dbraw/zinc/61/01/95/243610195.db2.gz KXUMOMBMMWATLD-ZRJCITRHSA-N 1 0 340.265 2.581 40 0 EFABRO Cc1ncsc1C[N@H+]1CCC[C@H]1c1nccnc1-c1nccn1C ZINC000257201207 244120669 /nfs/dbraw/zinc/12/06/69/244120669.db2.gz AGTMHLQEZWVGIX-ZDUSSCGKSA-N 1 0 340.456 2.979 40 0 EFABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257207851 244139520 /nfs/dbraw/zinc/13/95/20/244139520.db2.gz BJPKCWMXBYVKJZ-MRXNPFEDSA-N 1 0 338.459 2.768 40 0 EFABRO Cn1nccc1C(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@@H+]2C ZINC000257219595 244176393 /nfs/dbraw/zinc/17/63/93/244176393.db2.gz DHIPENQNQSOBLM-YTQUADARSA-N 1 0 338.455 2.860 40 0 EFABRO Cc1ccc(N(C)[C@H]2COC3(C2)CC[NH+](Cc2c[nH]cn2)CC3)cc1 ZINC000257211540 244153257 /nfs/dbraw/zinc/15/32/57/244153257.db2.gz BZHMIQQIZZPUHV-LJQANCHMSA-N 1 0 340.471 2.978 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000257211955 244154771 /nfs/dbraw/zinc/15/47/71/244154771.db2.gz CBFVFIWTFWYXCY-HNNXBMFYSA-N 1 0 325.412 2.827 40 0 EFABRO Cc1cnccc1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257217244 244171605 /nfs/dbraw/zinc/17/16/05/244171605.db2.gz CYEPZROCGNNFSP-RTBURBONSA-N 1 0 330.403 2.933 40 0 EFABRO c1c[nH]c(-c2nccnc2C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257230377 244211535 /nfs/dbraw/zinc/21/15/35/244211535.db2.gz GCAXHGLOYCPLHV-UHFFFAOYSA-N 1 0 326.429 2.703 40 0 EFABRO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccc(-c3cnn(C)c3)nc2)cn1 ZINC000257230738 244213776 /nfs/dbraw/zinc/21/37/76/244213776.db2.gz GDRQZHOLAHIDIU-LJQANCHMSA-N 1 0 336.443 2.943 40 0 EFABRO Cc1cnccc1C[N@@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257231455 244214173 /nfs/dbraw/zinc/21/41/73/244214173.db2.gz GGTSFUMZKAJSRB-QGZVFWFLSA-N 1 0 336.439 2.729 40 0 EFABRO Cc1ccc(N(C)[C@@H]2CC[C@@H]3C[N@H+](Cc4cncs4)C[C@H]23)nn1 ZINC000257245212 244255459 /nfs/dbraw/zinc/25/54/59/244255459.db2.gz IONJZMYRVCVWEP-VNQPRFMTSA-N 1 0 329.473 2.588 40 0 EFABRO CCN1CCC([N@@H+]2CCC[C@@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246633 244257173 /nfs/dbraw/zinc/25/71/73/244257173.db2.gz IVALTTRWCDBQDZ-MRXNPFEDSA-N 1 0 327.476 2.632 40 0 EFABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)Cc2cccnc2)n1 ZINC000257237732 244231789 /nfs/dbraw/zinc/23/17/89/244231789.db2.gz HHWZLZOXTQVODS-QGZVFWFLSA-N 1 0 335.411 2.729 40 0 EFABRO Cc1cncc([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257239520 244237436 /nfs/dbraw/zinc/23/74/36/244237436.db2.gz HPSLIXMOFGQZLF-INIZCTEOSA-N 1 0 325.412 2.936 40 0 EFABRO COc1cccc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c1 ZINC000257239725 244238938 /nfs/dbraw/zinc/23/89/38/244238938.db2.gz HQNHGPRNLITUTQ-SFHVURJKSA-N 1 0 326.444 2.884 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)[nH+]1 ZINC000257240031 244241645 /nfs/dbraw/zinc/24/16/45/244241645.db2.gz HRTQFFRMAIEVTQ-KRWDZBQOSA-N 1 0 345.830 2.768 40 0 EFABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[NH2+]4)nc32)cc1 ZINC000257241595 244244191 /nfs/dbraw/zinc/24/41/91/244244191.db2.gz HYQDVHYQBZJDEI-KRWDZBQOSA-N 1 0 336.439 2.997 40 0 EFABRO Cc1nc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cs1 ZINC000257249619 244265305 /nfs/dbraw/zinc/26/53/05/244265305.db2.gz JJCGFSWWKMHCLW-MRXNPFEDSA-N 1 0 331.489 2.949 40 0 EFABRO O=C(Nc1nccs1)c1cc([C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000257252327 244272202 /nfs/dbraw/zinc/27/22/02/244272202.db2.gz JUJVOBPZMVJIGV-HNNXBMFYSA-N 1 0 340.408 2.605 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257258344 244290417 /nfs/dbraw/zinc/29/04/17/244290417.db2.gz KTKRUDUXTRMUGB-MRXNPFEDSA-N 1 0 325.460 2.964 40 0 EFABRO CCN1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020044672 212097198 /nfs/dbraw/zinc/09/71/98/212097198.db2.gz RAWYCXMLFRFNSZ-KRWDZBQOSA-N 1 0 329.488 2.696 40 0 EFABRO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](N(C)c4cnc(C)cn4)CC[C@@H]3C2)cs1 ZINC000257266585 244363394 /nfs/dbraw/zinc/36/33/94/244363394.db2.gz MDQIINDHJNIYDJ-HYVNUMGLSA-N 1 0 343.500 2.897 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)c1 ZINC000257268968 244370676 /nfs/dbraw/zinc/37/06/76/244370676.db2.gz MNZVZWHZAUGOLF-QGZVFWFLSA-N 1 0 329.375 2.785 40 0 EFABRO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000095405367 284138959 /nfs/dbraw/zinc/13/89/59/284138959.db2.gz DYDQLEBLACJIKA-RTBURBONSA-N 1 0 349.519 2.852 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)CCc3cccs3)CCO2)[nH+]1 ZINC000257263941 244355056 /nfs/dbraw/zinc/35/50/56/244355056.db2.gz LSDPQMDGQYEWGS-MRXNPFEDSA-N 1 0 331.441 2.566 40 0 EFABRO C[C@@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000019913978 212083969 /nfs/dbraw/zinc/08/39/69/212083969.db2.gz BUXKCOXPBUKEKR-AEFFLSMTSA-N 1 0 336.501 2.713 40 0 EFABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257311275 244492807 /nfs/dbraw/zinc/49/28/07/244492807.db2.gz UITJPRPFMTUSPZ-KRWDZBQOSA-N 1 0 336.439 2.731 40 0 EFABRO Nc1cc(CC[C@@H]2CN(C(=O)CCc3cccs3)CCO2)cc[nH+]1 ZINC000257321410 244517076 /nfs/dbraw/zinc/51/70/76/244517076.db2.gz WBOIEWXBRNTPDX-OAHLLOKOSA-N 1 0 345.468 2.518 40 0 EFABRO CCCn1ncc2ccc([C@@H]3CCC[N@H+](Cc4ccnn4C)C3)nc21 ZINC000019742356 212060582 /nfs/dbraw/zinc/06/05/82/212060582.db2.gz XPQRYXJLUJMKGT-MRXNPFEDSA-N 1 0 338.459 2.954 40 0 EFABRO C[C@@H](NC(=O)CC1CC[NH+](Cc2ccnn2C)CC1)c1ccccc1 ZINC000019748614 212061998 /nfs/dbraw/zinc/06/19/98/212061998.db2.gz VMSDKWLJJJCSSM-MRXNPFEDSA-N 1 0 340.471 2.900 40 0 EFABRO CCCn1ncc2ccc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)nc21 ZINC000019742358 212060218 /nfs/dbraw/zinc/06/02/18/212060218.db2.gz XPQRYXJLUJMKGT-INIZCTEOSA-N 1 0 338.459 2.954 40 0 EFABRO Cn1cc(-c2ccc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)nc2)cn1 ZINC000019689205 212056285 /nfs/dbraw/zinc/05/62/85/212056285.db2.gz FQDZRKNETSZJPJ-INIZCTEOSA-N 1 0 336.443 2.595 40 0 EFABRO COCC[N@@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703665 212055603 /nfs/dbraw/zinc/05/56/03/212055603.db2.gz NNZNNXQXFKLBGP-QGZVFWFLSA-N 1 0 333.407 2.954 40 0 EFABRO Cn1nccc1C[NH+]1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019689066 212055656 /nfs/dbraw/zinc/05/56/56/212055656.db2.gz CQCHYONMGODHAS-UHFFFAOYSA-N 1 0 334.427 2.652 40 0 EFABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000019593524 212050620 /nfs/dbraw/zinc/05/06/20/212050620.db2.gz CDUTVLAGOPRODB-INIZCTEOSA-N 1 0 349.475 2.811 40 0 EFABRO C[N@@H+]1CC[C@H](c2ncc3c(n2)CCN(C(=O)CCC2CCCC2)C3)C1 ZINC000019587937 212048624 /nfs/dbraw/zinc/04/86/24/212048624.db2.gz FUGGSKLQNMFJDE-INIZCTEOSA-N 1 0 342.487 2.751 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 ZINC000019590377 212048245 /nfs/dbraw/zinc/04/82/45/212048245.db2.gz MCBWIDSBSFPQDH-HOTGVXAUSA-N 1 0 340.471 2.527 40 0 EFABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019578076 212047418 /nfs/dbraw/zinc/04/74/18/212047418.db2.gz IZMPISYIFYCJSR-SWLSCSKDSA-N 1 0 340.899 2.590 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(C)c1C ZINC000019577274 212046115 /nfs/dbraw/zinc/04/61/15/212046115.db2.gz ANTKICJGFGMMLM-MRXNPFEDSA-N 1 0 327.428 2.693 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1 ZINC000019555143 212041576 /nfs/dbraw/zinc/04/15/76/212041576.db2.gz GGUDVISNCKKTJO-INIZCTEOSA-N 1 0 339.439 2.578 40 0 EFABRO c1csc(-c2nnn(C[C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000019344956 212019055 /nfs/dbraw/zinc/01/90/55/212019055.db2.gz BQMIRYJBRRSEJZ-OAHLLOKOSA-N 1 0 340.456 2.709 40 0 EFABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339117 212018076 /nfs/dbraw/zinc/01/80/76/212018076.db2.gz HXQDYJNEOQEKDV-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339114 212017504 /nfs/dbraw/zinc/01/75/04/212017504.db2.gz HXQDYJNEOQEKDV-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO Fc1cccc(CN2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019293897 212013395 /nfs/dbraw/zinc/01/33/95/212013395.db2.gz WZYFROYCRYCHLP-OAHLLOKOSA-N 1 0 326.419 2.641 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000019289395 212011546 /nfs/dbraw/zinc/01/15/46/212011546.db2.gz VEOKFCAFTDFZFT-OAHLLOKOSA-N 1 0 337.427 2.752 40 0 EFABRO O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292374 212011036 /nfs/dbraw/zinc/01/10/36/212011036.db2.gz OFNQYBMMAKQGKJ-INIZCTEOSA-N 1 0 342.487 2.799 40 0 EFABRO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[nH]1 ZINC000019285247 212009936 /nfs/dbraw/zinc/00/99/36/212009936.db2.gz SNWYSCRLSBXFFJ-INIZCTEOSA-N 1 0 327.428 2.855 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 ZINC000019238714 212009161 /nfs/dbraw/zinc/00/91/61/212009161.db2.gz USUVGGSUILJEMT-GBESFXJTSA-N 1 0 342.508 2.919 40 0 EFABRO Cc1cnc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)o2)cn1 ZINC000019239191 212008747 /nfs/dbraw/zinc/00/87/47/212008747.db2.gz KVGQNBGCDKABNJ-CQSZACIVSA-N 1 0 339.374 2.964 40 0 EFABRO COc1c(C)cccc1CN1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019236002 212006690 /nfs/dbraw/zinc/00/66/90/212006690.db2.gz AZHHWFCDSFFWRR-GOSISDBHSA-N 1 0 338.455 2.776 40 0 EFABRO Cc1ccc(C[NH+]2CCC(O)(Cn3ccc4ncccc43)CC2)o1 ZINC000019216568 212006168 /nfs/dbraw/zinc/00/61/68/212006168.db2.gz YGZNGNXLZKBTHD-UHFFFAOYSA-N 1 0 325.412 2.965 40 0 EFABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)s1 ZINC000019216929 212005249 /nfs/dbraw/zinc/00/52/49/212005249.db2.gz PQIQASMLSYCTGB-OAHLLOKOSA-N 1 0 342.468 2.812 40 0 EFABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@H+](C)C3)on2)cc1 ZINC000019212262 212003866 /nfs/dbraw/zinc/00/38/66/212003866.db2.gz LMHQLQPXWJSFHD-FQEVSTJZSA-N 1 0 341.455 2.993 40 0 EFABRO CC[NH+]1CCC(N(C)C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000078394444 217046448 /nfs/dbraw/zinc/04/64/48/217046448.db2.gz DBTDIJGXAVIILB-UHFFFAOYSA-N 1 0 344.484 2.690 40 0 EFABRO Cn1cc(C[NH2+]CCOc2ccc(F)cc2F)c(-c2ccncc2)n1 ZINC000078604183 217085542 /nfs/dbraw/zinc/08/55/42/217085542.db2.gz QZEYSNRCLBQDFC-UHFFFAOYSA-N 1 0 344.365 2.929 40 0 EFABRO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)no1 ZINC000078665133 217098224 /nfs/dbraw/zinc/09/82/24/217098224.db2.gz RGUPKMFECKDNLC-UHFFFAOYSA-N 1 0 349.818 2.870 40 0 EFABRO CSc1ncc(C(=O)NC2CC[NH+](C)CC2)n1-c1ccc(F)cc1 ZINC000078973466 217161077 /nfs/dbraw/zinc/16/10/77/217161077.db2.gz JVRVXRPKGRITBE-UHFFFAOYSA-N 1 0 348.447 2.557 40 0 EFABRO Cc1nnc2ccc(NC[C@H]3CCC[N@@H+](C)[C@@H]3c3ccccc3)nn12 ZINC000079089953 217189035 /nfs/dbraw/zinc/18/90/35/217189035.db2.gz AHRGWWBWFOIISE-VQIMIIECSA-N 1 0 336.443 2.928 40 0 EFABRO CC(C)N(C[C@H]1CCCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411705 217221638 /nfs/dbraw/zinc/22/16/38/217221638.db2.gz JRTBETIIYCORLU-SFHVURJKSA-N 1 0 333.476 2.704 40 0 EFABRO [NH3+]CCN1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391033 217217195 /nfs/dbraw/zinc/21/71/95/217217195.db2.gz KVZGVYACXOUDAY-GOSISDBHSA-N 1 0 331.460 2.601 40 0 EFABRO COc1ccc(C2CC[NH+](CC(=O)NCc3cccnc3)CC2)cc1 ZINC000080630161 217321383 /nfs/dbraw/zinc/32/13/83/217321383.db2.gz RINHGTFZKAWZCI-UHFFFAOYSA-N 1 0 339.439 2.586 40 0 EFABRO O=C(c1cc2nccnc2cc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000240707831 296198810 /nfs/dbraw/zinc/19/88/10/296198810.db2.gz HQTHADPJMSGTTO-AWEZNQCLSA-N 1 0 342.418 2.859 40 0 EFABRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000111795206 220191476 /nfs/dbraw/zinc/19/14/76/220191476.db2.gz JYGGNTLMUMEGQE-JTQLQIEISA-N 1 0 331.243 2.939 40 0 EFABRO O=C(c1ccc(F)cc1)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096063061 296213903 /nfs/dbraw/zinc/21/39/03/296213903.db2.gz VWXVVAJOBBOMKN-KRWDZBQOSA-N 1 0 332.419 2.685 40 0 EFABRO COc1cc2cc(C[NH2+]Cc3cccs3)c(=O)[nH]c2cc1OC ZINC000012468851 211390473 /nfs/dbraw/zinc/39/04/73/211390473.db2.gz KZFVLADZUKQEPV-UHFFFAOYSA-N 1 0 330.409 2.897 40 0 EFABRO CC(C)[NH+]1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012441427 211383241 /nfs/dbraw/zinc/38/32/41/211383241.db2.gz IVVTWYPXGDCLLF-UHFFFAOYSA-N 1 0 330.881 2.739 40 0 EFABRO O[C@@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000012327753 211349087 /nfs/dbraw/zinc/34/90/87/211349087.db2.gz JNJFCAZKWYQYOU-SFHVURJKSA-N 1 0 333.378 2.982 40 0 EFABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000012292058 211335597 /nfs/dbraw/zinc/33/55/97/211335597.db2.gz JCYMBCOSAJUFNZ-GOSISDBHSA-N 1 0 327.424 2.712 40 0 EFABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000012188273 211313517 /nfs/dbraw/zinc/31/35/17/211313517.db2.gz YWCYSIFSTOUEPW-FQEVSTJZSA-N 1 0 338.451 2.847 40 0 EFABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012156673 211309934 /nfs/dbraw/zinc/30/99/34/211309934.db2.gz UWPFRUZIJHUSDB-CRAIPNDOSA-N 1 0 334.391 2.642 40 0 EFABRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000090728192 217951191 /nfs/dbraw/zinc/95/11/91/217951191.db2.gz SZRJCXQASWDOMB-NWDGAFQWSA-N 1 0 326.404 2.721 40 0 EFABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCC[NH2+]C1 ZINC000012157391 211309218 /nfs/dbraw/zinc/30/92/18/211309218.db2.gz YQRDHEBGMHUVLJ-YJBOKZPZSA-N 1 0 334.391 2.642 40 0 EFABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccnc2)CC1 ZINC000012219484 211321924 /nfs/dbraw/zinc/32/19/24/211321924.db2.gz NXYYVZXKLFNJSU-UHFFFAOYSA-N 1 0 327.403 2.848 40 0 EFABRO Cc1nn(CCC(=O)NC(C)(C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1C ZINC000012203214 211320616 /nfs/dbraw/zinc/32/06/16/211320616.db2.gz PGFHRVABEYEKGN-CQSZACIVSA-N 1 0 334.508 2.825 40 0 EFABRO CC(C)NC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH2+]CC1 ZINC000012156842 211309175 /nfs/dbraw/zinc/30/91/75/211309175.db2.gz NTPLBXJVCADSHO-MRXNPFEDSA-N 1 0 347.434 2.603 40 0 EFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000012147447 211307271 /nfs/dbraw/zinc/30/72/71/211307271.db2.gz KURVMZXVMYRTKZ-GJZGRUSLSA-N 1 0 341.459 2.570 40 0 EFABRO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000000811859 284713420 /nfs/dbraw/zinc/71/34/20/284713420.db2.gz WVDOYECEGDNFGF-GOSISDBHSA-N 1 0 325.408 2.753 40 0 EFABRO C[C@H]1C[NH+](CC2CCN(c3nnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000091478098 218011723 /nfs/dbraw/zinc/01/17/23/218011723.db2.gz HPCXXIALRHJZDI-STQMWFEESA-N 1 0 336.505 2.741 40 0 EFABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091856120 218077052 /nfs/dbraw/zinc/07/70/52/218077052.db2.gz WOEMIQJUIFOVNN-ZDUSSCGKSA-N 1 0 347.850 2.628 40 0 EFABRO CCN1C[C@H](C[N@H+](C)Cc2ccc(C(N)=O)cc2)Oc2ccccc21 ZINC000011193487 211207189 /nfs/dbraw/zinc/20/71/89/211207189.db2.gz YKDVUZHKLYDKEH-KRWDZBQOSA-N 1 0 339.439 2.505 40 0 EFABRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000010541031 211179830 /nfs/dbraw/zinc/17/98/30/211179830.db2.gz XACSCDFXZGESBC-UHFFFAOYSA-N 1 0 344.908 2.881 40 0 EFABRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CO[C@H]1CCC[C@H]1C)CC2 ZINC000010434944 211172998 /nfs/dbraw/zinc/17/29/98/211172998.db2.gz HZKWJLGDBRNGQP-OLMNPRSZSA-N 1 0 349.471 2.628 40 0 EFABRO Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)ccc1-n1cncn1 ZINC000092808422 218171171 /nfs/dbraw/zinc/17/11/71/218171171.db2.gz ASQGYGFCRZMWJD-UHFFFAOYSA-N 1 0 336.443 2.689 40 0 EFABRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093360815 218218169 /nfs/dbraw/zinc/21/81/69/218218169.db2.gz FSVIGSSOAACHJS-KRWDZBQOSA-N 1 0 339.439 2.619 40 0 EFABRO O=C1c2cccn2CC[C@@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861925 211012980 /nfs/dbraw/zinc/01/29/80/211012980.db2.gz CEIQCDHCBWDJOZ-QUCCMNQESA-N 1 0 333.411 2.760 40 0 EFABRO CC1(C)[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000095400943 218335805 /nfs/dbraw/zinc/33/58/05/218335805.db2.gz RLLSBSHYELXTRJ-KSZLIROESA-N 1 0 349.519 2.754 40 0 EFABRO CCC[C@H]1SCCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000095405608 218341419 /nfs/dbraw/zinc/34/14/19/218341419.db2.gz XGNHWDUGILWCTG-MRXNPFEDSA-N 1 0 336.505 2.684 40 0 EFABRO O=C(Cn1ccnc1)NCc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000095405580 218341425 /nfs/dbraw/zinc/34/14/25/218341425.db2.gz RNWCHRNAWFNWCN-UHFFFAOYSA-N 1 0 340.471 2.966 40 0 EFABRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000095419318 218359393 /nfs/dbraw/zinc/35/93/93/218359393.db2.gz QRQVABPAIBBFID-MRXNPFEDSA-N 1 0 328.460 2.634 40 0 EFABRO Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)nnn1C1CC[NH2+]CC1 ZINC000095427938 218370431 /nfs/dbraw/zinc/37/04/31/218370431.db2.gz NWJRRTKHWHAFFJ-UHFFFAOYSA-N 1 0 333.823 2.725 40 0 EFABRO C[C@@H](Cc1ccc2ccccc2c1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000095421501 218362954 /nfs/dbraw/zinc/36/29/54/218362954.db2.gz SUXQGTPSWARDOP-HNNXBMFYSA-N 1 0 346.496 2.784 40 0 EFABRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000095422436 218364773 /nfs/dbraw/zinc/36/47/73/218364773.db2.gz JFKRZEACWNTUSL-AWEZNQCLSA-N 1 0 345.464 2.918 40 0 EFABRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000095429864 218372737 /nfs/dbraw/zinc/37/27/37/218372737.db2.gz LWMIOBZYFDUIHV-GFCCVEGCSA-N 1 0 343.254 2.977 40 0 EFABRO C[N@H+](CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000095441965 218386232 /nfs/dbraw/zinc/38/62/32/218386232.db2.gz XSHCOXSRGLRSBM-CJNGLKHVSA-N 1 0 344.484 2.664 40 0 EFABRO C[N@H+](CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000095441964 218386482 /nfs/dbraw/zinc/38/64/82/218386482.db2.gz XSHCOXSRGLRSBM-CZUORRHYSA-N 1 0 344.484 2.664 40 0 EFABRO c1csc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)c1 ZINC000096061026 218553914 /nfs/dbraw/zinc/55/39/14/218553914.db2.gz GMNIGSGIGMDMOJ-GFCCVEGCSA-N 1 0 332.454 2.757 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096061165 218554406 /nfs/dbraw/zinc/55/44/06/218554406.db2.gz MJQDWIYGKCJUGE-INIZCTEOSA-N 1 0 334.485 2.788 40 0 EFABRO O=C(c1ccsc1)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096196891 218665484 /nfs/dbraw/zinc/66/54/84/218665484.db2.gz ZBHKUPAPYBAVCW-UHFFFAOYSA-N 1 0 344.484 2.629 40 0 EFABRO CC(C)[NH+]1CCC2(C[C@H](COCC3CC3)N(c3ncccn3)C2)CC1 ZINC000096217678 218692417 /nfs/dbraw/zinc/69/24/17/218692417.db2.gz CWSKNNWJTBCNRX-GOSISDBHSA-N 1 0 344.503 2.973 40 0 EFABRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccnc1-n1cccn1 ZINC000096403266 218751290 /nfs/dbraw/zinc/75/12/90/218751290.db2.gz YOQKDUPSIWDMPO-HNNXBMFYSA-N 1 0 329.448 2.508 40 0 EFABRO Brc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217556807 532958518 /nfs/dbraw/zinc/95/85/18/532958518.db2.gz FEWGSTKAEWMHLW-ZDUSSCGKSA-N 1 0 344.216 2.978 40 0 EFABRO CCN(C[C@@H]1CCC[NH2+]1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000091363815 285022539 /nfs/dbraw/zinc/02/25/39/285022539.db2.gz PKRCUOUOLLWUOE-JTQLQIEISA-N 1 0 337.272 2.756 40 0 EFABRO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(O)(c2ccccc2F)CC1 ZINC000004967553 210342764 /nfs/dbraw/zinc/34/27/64/210342764.db2.gz VBWFUJBANZVJRM-CRAIPNDOSA-N 1 0 348.462 2.804 40 0 EFABRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)cc1Br ZINC000097230511 219000100 /nfs/dbraw/zinc/00/01/00/219000100.db2.gz OWZHZFUFLPRYMA-GFCCVEGCSA-N 1 0 325.250 2.747 40 0 EFABRO CCOc1cccc(CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000097234381 219001690 /nfs/dbraw/zinc/00/16/90/219001690.db2.gz GMNGTXJUZDIFNE-HKUYNNGSSA-N 1 0 345.487 2.754 40 0 EFABRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCSC3)cc2)C[C@H](C)O1 ZINC000097370831 219016517 /nfs/dbraw/zinc/01/65/17/219016517.db2.gz BARYONQRSUIQQI-RVKKMQEKSA-N 1 0 348.512 2.921 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccnn2C)cc1 ZINC000097375030 219018378 /nfs/dbraw/zinc/01/83/78/219018378.db2.gz JLPXCJJTARMXNG-ROUUACIJSA-N 1 0 347.484 2.603 40 0 EFABRO c1cn(Cc2ccccc2)c(CC[NH2+]C2CCC3(CC2)OCCO3)n1 ZINC000155068545 224353688 /nfs/dbraw/zinc/35/36/88/224353688.db2.gz XBSYDGZVRJPGBJ-UHFFFAOYSA-N 1 0 341.455 2.749 40 0 EFABRO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](CC4CC4)C[C@H]32)cs1 ZINC000306132907 257920605 /nfs/dbraw/zinc/92/06/05/257920605.db2.gz LVWYOHUSXZWGLP-DLBZAZTESA-N 1 0 342.468 2.544 40 0 EFABRO O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000330032504 258002654 /nfs/dbraw/zinc/00/26/54/258002654.db2.gz OJLRICGEQIHPFX-SFHVURJKSA-N 1 0 344.455 2.698 40 0 EFABRO O=S(=O)(c1ccccc1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096241360 296470781 /nfs/dbraw/zinc/47/07/81/296470781.db2.gz JWRXCILWZJIRES-UHFFFAOYSA-N 1 0 328.437 2.517 40 0 EFABRO O=C(C[NH2+]CCN1CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000035311435 132389354 /nfs/dbraw/zinc/38/93/54/132389354.db2.gz GJQOMMNMCLDWQO-UHFFFAOYSA-N 1 0 344.503 2.691 40 0 EFABRO OC1(C[NH+]2CCC3(CCO[C@H]3Cc3cncnc3)CC2)CCCCC1 ZINC000257263408 296537705 /nfs/dbraw/zinc/53/77/05/296537705.db2.gz LPUMAZHCXYIGDK-SFHVURJKSA-N 1 0 345.487 2.585 40 0 EFABRO COc1ccccc1CN1Cc2ccnn2C[C@H](C[NH+]2CCCC2)C1 ZINC000248116449 286497633 /nfs/dbraw/zinc/49/76/33/286497633.db2.gz BFSSTRAOADYBHB-QGZVFWFLSA-N 1 0 340.471 2.620 40 0 EFABRO COCC[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244676 274033041 /nfs/dbraw/zinc/03/30/41/274033041.db2.gz AJPVFRMOEPRZGM-HXUWFJFHSA-N 1 0 339.439 2.572 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2n1 ZINC000096486660 274357148 /nfs/dbraw/zinc/35/71/48/274357148.db2.gz UEZXKOOTGCJAOX-PBHICJAKSA-N 1 0 348.454 2.930 40 0 EFABRO CC(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)nc1 ZINC000289421550 274757901 /nfs/dbraw/zinc/75/79/01/274757901.db2.gz COXIZSBPATUXEP-UHFFFAOYSA-N 1 0 339.443 2.604 40 0 EFABRO c1coc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061681 275074570 /nfs/dbraw/zinc/07/45/70/275074570.db2.gz LEVWIGRHPXIPND-UXHICEINSA-N 1 0 326.440 2.797 40 0 EFABRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 ZINC000248256265 276106641 /nfs/dbraw/zinc/10/66/41/276106641.db2.gz OHGBKNZZZSQYMS-QGZVFWFLSA-N 1 0 342.443 2.511 40 0 EFABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012156665 276438913 /nfs/dbraw/zinc/43/89/13/276438913.db2.gz UWPFRUZIJHUSDB-MAUKXSAKSA-N 1 0 334.391 2.642 40 0 EFABRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccccn1)Cc1ccccc12 ZINC000096242390 277035391 /nfs/dbraw/zinc/03/53/91/277035391.db2.gz UABOXPFBSOMQRJ-UHFFFAOYSA-N 1 0 335.451 2.630 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000096424195 277190321 /nfs/dbraw/zinc/19/03/21/277190321.db2.gz CSRGGITVCGAXDQ-DLBZAZTESA-N 1 0 337.508 2.804 40 0 EFABRO COC(=O)C1CCC([NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000192445634 277312341 /nfs/dbraw/zinc/31/23/41/277312341.db2.gz JNLYACQEEUKCGO-VXTDNTOSSA-N 1 0 330.428 2.502 40 0 EFABRO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@H+](CC3CC3)C2)C1 ZINC000012365387 278074053 /nfs/dbraw/zinc/07/40/53/278074053.db2.gz IELQPLVYUSWBSW-HXUWFJFHSA-N 1 0 328.456 2.981 40 0 EFABRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780125 278356516 /nfs/dbraw/zinc/35/65/16/278356516.db2.gz NYOHCPVKYOHNKR-AUUYWEPGSA-N 1 0 345.464 2.575 40 0 EFABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000022927595 278439295 /nfs/dbraw/zinc/43/92/95/278439295.db2.gz UPAMDOYRFUOKHL-IUODEOHRSA-N 1 0 339.867 2.939 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 ZINC000096242704 279262967 /nfs/dbraw/zinc/26/29/67/279262967.db2.gz OXJWOULPFWAEFB-SJLPKXTDSA-N 1 0 344.455 2.660 40 0 EFABRO CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH2+]CC1 ZINC000012156662 279528042 /nfs/dbraw/zinc/52/80/42/279528042.db2.gz FJNYVHRSQFPDHX-OAHLLOKOSA-N 1 0 334.391 2.642 40 0 EFABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000096241995 281938966 /nfs/dbraw/zinc/93/89/66/281938966.db2.gz WMALKUCGYCAAQO-SJORKVTESA-N 1 0 342.483 2.775 40 0 EFABRO Cc1nc([C@H]2CCCN(C(=O)c3cncs3)C2)cc2c[nH+]cn21 ZINC000257299089 282000123 /nfs/dbraw/zinc/00/01/23/282000123.db2.gz RORQTSHUNLRBPL-LBPRGKRZSA-N 1 0 327.413 2.514 40 0 EFABRO Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CC[NH+](C)CC2)c1C ZINC000035314981 282047859 /nfs/dbraw/zinc/04/78/59/282047859.db2.gz WCWXMMSUUZVYRO-UHFFFAOYSA-N 1 0 339.418 2.904 40 0 EFABRO Fc1ccc2ncnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000301266278 311128193 /nfs/dbraw/zinc/12/81/93/311128193.db2.gz HWWGLUGKMFDSGJ-CYBMUJFWSA-N 1 0 330.407 2.682 40 0 EFABRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ncoc1C1CC1 ZINC000329058270 311263766 /nfs/dbraw/zinc/26/37/66/311263766.db2.gz YIQQGNITOYUSGU-UHFFFAOYSA-N 1 0 340.427 2.936 40 0 EFABRO O=C(c1ccc2cc[nH]c2n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329948959 311298827 /nfs/dbraw/zinc/29/88/27/311298827.db2.gz ZNUWFHHDFQMTNH-HDICACEKSA-N 1 0 346.434 2.767 40 0 EFABRO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)C(=O)N1CCCC[C@@H]1C ZINC000097236326 323214305 /nfs/dbraw/zinc/21/43/05/323214305.db2.gz FUAXXSRIZVDXPN-KBPBESRZSA-N 1 0 349.441 2.782 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1F ZINC000097378545 323214661 /nfs/dbraw/zinc/21/46/61/323214661.db2.gz WICHRNNXTMPHDM-AEFFLSMTSA-N 1 0 349.450 2.644 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000097379166 323214956 /nfs/dbraw/zinc/21/49/56/323214956.db2.gz LARVPSPTOGIXDO-XQQFMLRXSA-N 1 0 330.432 2.630 40 0 EFABRO Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)ccn1 ZINC000120325996 323215804 /nfs/dbraw/zinc/21/58/04/323215804.db2.gz PLCWXSPHJNJBNX-UHFFFAOYSA-N 1 0 346.475 2.746 40 0 EFABRO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154462500 323220480 /nfs/dbraw/zinc/22/04/80/323220480.db2.gz CDLBGYJEQKPGSP-DOTOQJQBSA-N 1 0 338.542 2.923 40 0 EFABRO Cc1c(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cnn1C ZINC000181967659 323257281 /nfs/dbraw/zinc/25/72/81/323257281.db2.gz REMKDQMXBIPQAK-UHFFFAOYSA-N 1 0 333.867 2.746 40 0 EFABRO CCN(C(=O)NCc1cc(C)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184609727 323370147 /nfs/dbraw/zinc/37/01/47/323370147.db2.gz DWGHPHDHCYCWFD-KRWDZBQOSA-N 1 0 342.443 2.789 40 0 EFABRO Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000195556996 323529301 /nfs/dbraw/zinc/52/93/01/323529301.db2.gz SVCDHVLTFJEZPA-OXQOHEQNSA-N 1 0 346.471 2.559 40 0 EFABRO COc1cccc(NCCc2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534870 473223655 /nfs/dbraw/zinc/22/36/55/473223655.db2.gz RZMMSCAPKCQUHT-QGZVFWFLSA-N 1 0 337.427 2.710 40 0 EFABRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000081792441 473253757 /nfs/dbraw/zinc/25/37/57/473253757.db2.gz NJNSQGPZYNBBMI-CYBMUJFWSA-N 1 0 332.444 2.520 40 0 EFABRO Cc1noc(C)c1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000190386988 473255999 /nfs/dbraw/zinc/25/59/99/473255999.db2.gz RLRGBECHBLZMOE-UHFFFAOYSA-N 1 0 349.456 2.581 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CCCC2)C1 ZINC000096038950 473258277 /nfs/dbraw/zinc/25/82/77/473258277.db2.gz ZNOQEPGBVAEOCZ-KBAYOESNSA-N 1 0 332.444 2.565 40 0 EFABRO c1cncc(OC[C@@]23CCCO[C@H]2CC[N@H+](CC2CCOCC2)C3)c1 ZINC000096040060 473259974 /nfs/dbraw/zinc/25/99/74/473259974.db2.gz YXNOUDZYINEKGT-PMACEKPBSA-N 1 0 346.471 2.758 40 0 EFABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039147 473260025 /nfs/dbraw/zinc/26/00/25/473260025.db2.gz NUDSVTVLBMFOIE-RBUKOAKNSA-N 1 0 335.444 2.721 40 0 EFABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039145 473260523 /nfs/dbraw/zinc/26/05/23/473260523.db2.gz NUDSVTVLBMFOIE-RTBURBONSA-N 1 0 335.444 2.721 40 0 EFABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)nc1 ZINC000096040346 473261483 /nfs/dbraw/zinc/26/14/83/473261483.db2.gz PSWGALZZAPIARI-UYAOXDASSA-N 1 0 339.439 2.927 40 0 EFABRO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096041008 473262172 /nfs/dbraw/zinc/26/21/72/473262172.db2.gz XBLIIOCWUYBRLM-XIRDDKMYSA-N 1 0 334.485 2.786 40 0 EFABRO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CCCC2)C1 ZINC000096041283 473262397 /nfs/dbraw/zinc/26/23/97/473262397.db2.gz ZNOQEPGBVAEOCZ-CGTJXYLNSA-N 1 0 332.444 2.565 40 0 EFABRO O=C(NCC1CC1)[C@H]1CO[C@H]2CC[N@@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096042634 473266027 /nfs/dbraw/zinc/26/60/27/473266027.db2.gz CUGHOGJMATXPLF-LMMKCTJWSA-N 1 0 346.446 2.579 40 0 EFABRO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cscn2)C3)s1 ZINC000096046437 473267338 /nfs/dbraw/zinc/26/73/38/473267338.db2.gz VFLWQBIHYFGPHZ-UHFFFAOYSA-N 1 0 333.482 2.861 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nc1 ZINC000096048499 473270492 /nfs/dbraw/zinc/27/04/92/473270492.db2.gz OBHLCDRQUBATGK-DOTOQJQBSA-N 1 0 348.447 2.913 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096047049 473268242 /nfs/dbraw/zinc/26/82/42/473268242.db2.gz WBISRNDLRVPEIE-HXUWFJFHSA-N 1 0 336.439 2.605 40 0 EFABRO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096048006 473268351 /nfs/dbraw/zinc/26/83/51/473268351.db2.gz MJXUJYLKLUHPCU-OAHLLOKOSA-N 1 0 347.484 2.992 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nc1 ZINC000096048498 473271321 /nfs/dbraw/zinc/27/13/21/473271321.db2.gz OBHLCDRQUBATGK-RDJZCZTQSA-N 1 0 348.447 2.913 40 0 EFABRO O=C(C[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2)N1CCCC1 ZINC000096048169 473271400 /nfs/dbraw/zinc/27/14/00/473271400.db2.gz BKCFUPFGAKZERU-MRXNPFEDSA-N 1 0 332.444 2.663 40 0 EFABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)nn1 ZINC000096048432 473271855 /nfs/dbraw/zinc/27/18/55/473271855.db2.gz HBVANDHTTWTLFS-QAPCUYQASA-N 1 0 328.416 2.614 40 0 EFABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096048618 473271900 /nfs/dbraw/zinc/27/19/00/473271900.db2.gz ITPMRASWTIXKQB-SFHVURJKSA-N 1 0 342.468 2.553 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048331 473272278 /nfs/dbraw/zinc/27/22/78/473272278.db2.gz GYXAQIDRUQQLRO-WMLDXEAASA-N 1 0 330.457 2.774 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096048259 473272393 /nfs/dbraw/zinc/27/23/93/473272393.db2.gz MJCZYAHKRRAABW-RBUKOAKNSA-N 1 0 325.412 2.679 40 0 EFABRO Cc1ccc(N2C[C@]3(CC[N@H+](CC4CCOCC4)C3)CC2=O)s1 ZINC000096050887 473273106 /nfs/dbraw/zinc/27/31/06/473273106.db2.gz IDWGLQFNYAIOIG-GOSISDBHSA-N 1 0 334.485 2.912 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccncc3)CC2)N1Cc1cccnc1 ZINC000096049381 473273218 /nfs/dbraw/zinc/27/32/18/473273218.db2.gz HNUSFYOYIVVWFG-UHFFFAOYSA-N 1 0 336.439 2.634 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)nc1 ZINC000096049557 473274094 /nfs/dbraw/zinc/27/40/94/473274094.db2.gz VNTIBNKXAOXAKB-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cncnc2)C3)c1 ZINC000096049529 473274563 /nfs/dbraw/zinc/27/45/63/473274563.db2.gz YNCODFZWNYMUAL-GOSISDBHSA-N 1 0 344.484 2.657 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)s1 ZINC000096052184 473275406 /nfs/dbraw/zinc/27/54/06/473275406.db2.gz OABLQQAZSZHJQM-KRWDZBQOSA-N 1 0 348.512 2.908 40 0 EFABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccnnc1)CC2 ZINC000096051589 473275481 /nfs/dbraw/zinc/27/54/81/473275481.db2.gz NGUYORZHAYISQE-KRWDZBQOSA-N 1 0 340.427 2.586 40 0 EFABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2ccco2)CC3)c1 ZINC000096051684 473275944 /nfs/dbraw/zinc/27/59/44/473275944.db2.gz UIAZVRLCWFCXRB-QGZVFWFLSA-N 1 0 327.428 2.793 40 0 EFABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2ccoc2)CC3)c1 ZINC000096051688 473275963 /nfs/dbraw/zinc/27/59/63/473275963.db2.gz YPPRLZZLVMNLGN-QGZVFWFLSA-N 1 0 327.428 2.793 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)s1 ZINC000096052068 473276026 /nfs/dbraw/zinc/27/60/26/473276026.db2.gz CWWDOTJNCULINI-SJLPKXTDSA-N 1 0 347.484 2.561 40 0 EFABRO O=C(NCC1CC1)[C@@H]1C[N@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052124 473276497 /nfs/dbraw/zinc/27/64/97/473276497.db2.gz LTCICUIAGVCCTE-INIZCTEOSA-N 1 0 334.485 2.503 40 0 EFABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2ccccn2)CC3)c1 ZINC000096051700 473276909 /nfs/dbraw/zinc/27/69/09/473276909.db2.gz GIRWBRRBESUHSE-GOSISDBHSA-N 1 0 338.455 2.595 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055026 473277582 /nfs/dbraw/zinc/27/75/82/473277582.db2.gz QAOGTQNLVVYECZ-IRXDYDNUSA-N 1 0 329.469 2.618 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)cs1 ZINC000096055119 473279033 /nfs/dbraw/zinc/27/90/33/473279033.db2.gz OUPCXOYGLAYPHJ-MSOLQXFVSA-N 1 0 329.469 2.618 40 0 EFABRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)N1Cc1cccnc1 ZINC000096056571 473280460 /nfs/dbraw/zinc/28/04/60/473280460.db2.gz UVLXAMTXHRXTGO-RTBURBONSA-N 1 0 339.414 2.986 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1 ZINC000096057734 473281335 /nfs/dbraw/zinc/28/13/35/473281335.db2.gz DIHUDQKMHIJWOJ-IAOVAPTHSA-N 1 0 343.452 2.761 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)s1 ZINC000096057607 473281464 /nfs/dbraw/zinc/28/14/64/473281464.db2.gz QUUZAPGFTBBLEA-USXIJHARSA-N 1 0 334.485 2.658 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096057374 473281626 /nfs/dbraw/zinc/28/16/26/473281626.db2.gz GGQPCPCZUGWXGH-ZACQAIPSSA-N 1 0 346.452 2.779 40 0 EFABRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000096058795 473283596 /nfs/dbraw/zinc/28/35/96/473283596.db2.gz WDEWRWKYKYELJR-UHFFFAOYSA-N 1 0 326.444 2.542 40 0 EFABRO CCOC[C@H]1C[N@H+](CC2CCOCC2)Cc2ncn(CC3CC3)c21 ZINC000096060335 473283851 /nfs/dbraw/zinc/28/38/51/473283851.db2.gz AVQIVGCOCMYBCT-QGZVFWFLSA-N 1 0 333.476 2.655 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096062462 473284888 /nfs/dbraw/zinc/28/48/88/473284888.db2.gz NQSIMQOPOROGTG-LJQANCHMSA-N 1 0 327.428 2.712 40 0 EFABRO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096062406 473285011 /nfs/dbraw/zinc/28/50/11/473285011.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 1 0 343.496 2.868 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)o1 ZINC000096061171 473285801 /nfs/dbraw/zinc/28/58/01/473285801.db2.gz QZBKWBQECLWIRD-KRWDZBQOSA-N 1 0 332.444 2.628 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccoc2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061278 473286009 /nfs/dbraw/zinc/28/60/09/473286009.db2.gz BNZWGNPSEMERGT-BJZITVGISA-N 1 0 332.444 2.565 40 0 EFABRO c1cc(C[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)cs1 ZINC000096061074 473286036 /nfs/dbraw/zinc/28/60/36/473286036.db2.gz ROIQOXJXJLCVEI-HNNXBMFYSA-N 1 0 326.425 2.695 40 0 EFABRO c1cncc(COC[C@H]2CC[C@H]3[C@H](CC[N@@H+]3CC3CCOCC3)O2)c1 ZINC000096064642 473287857 /nfs/dbraw/zinc/28/78/57/473287857.db2.gz KELPCSPSCATSHY-AABGKKOBSA-N 1 0 346.471 2.647 40 0 EFABRO Cc1occc1C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000096063798 473287924 /nfs/dbraw/zinc/28/79/24/473287924.db2.gz LJDPIBSUUSUNDX-DOTOQJQBSA-N 1 0 344.386 2.705 40 0 EFABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]21 ZINC000096066346 473288101 /nfs/dbraw/zinc/28/81/01/473288101.db2.gz DPBLRXMWVMYGPF-FGTMMUONSA-N 1 0 341.411 2.540 40 0 EFABRO C(C1CCOCC1)[N@@H+]1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096070565 473289298 /nfs/dbraw/zinc/28/92/98/473289298.db2.gz DPZVASSNVOMYQJ-HRCADAONSA-N 1 0 333.432 2.526 40 0 EFABRO Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072579 473289410 /nfs/dbraw/zinc/28/94/10/473289410.db2.gz VMVOBMKRPPIXAG-PKOBYXMFSA-N 1 0 326.444 2.574 40 0 EFABRO O=C(c1cscn1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)[C@H]2C1 ZINC000096080531 473290519 /nfs/dbraw/zinc/29/05/19/473290519.db2.gz KCMRLOYMRIECIP-RDJZCZTQSA-N 1 0 327.453 2.532 40 0 EFABRO CC(C)[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3c[nH]cn3)CC2)C1 ZINC000096079524 473290674 /nfs/dbraw/zinc/29/06/74/473290674.db2.gz MJBWPBIFGVIIDF-UHFFFAOYSA-N 1 0 338.455 2.808 40 0 EFABRO COCC[NH+]1CCC2(C[C@@H](NC(=O)C3CC3)c3ccccc32)CC1 ZINC000096079004 473291654 /nfs/dbraw/zinc/29/16/54/473291654.db2.gz ULVYCXYJZIXDJG-GOSISDBHSA-N 1 0 328.456 2.638 40 0 EFABRO C[N@H+](C[C@H]1CO[C@@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000096075659 473291695 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COCC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000096158520 473317549 /nfs/dbraw/zinc/31/75/49/473317549.db2.gz HUEPZFSNKFCKHM-UHFFFAOYSA-N 1 0 330.472 2.846 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096158245 473317809 /nfs/dbraw/zinc/31/78/09/473317809.db2.gz HJZXZEILEGWEBA-HXUWFJFHSA-N 1 0 338.455 2.978 40 0 EFABRO O=C(c1cnccn1)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096158184 473318152 /nfs/dbraw/zinc/31/81/52/473318152.db2.gz CHMNAZQDJSLTCR-GOSISDBHSA-N 1 0 342.468 2.666 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158244 473318497 /nfs/dbraw/zinc/31/84/97/473318497.db2.gz BEIJTJUMNBSURV-SFHVURJKSA-N 1 0 327.432 2.574 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096159655 473319421 /nfs/dbraw/zinc/31/94/21/473319421.db2.gz ILUXHUALXHTBBI-HXUWFJFHSA-N 1 0 339.414 2.845 40 0 EFABRO C[N@H+](Cc1cccnc1)[C@H]1CCC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 ZINC000096182904 473324008 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c1csc(COCc2cncc3c2CC[N@H+](C[C@@H]2CCOC2)C3)n1 ZINC000096189425 473330107 /nfs/dbraw/zinc/33/01/07/473330107.db2.gz IUVHFGHPQSGNCZ-AWEZNQCLSA-N 1 0 345.468 2.650 40 0 EFABRO CCC[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2CCOC ZINC000096199687 473336055 /nfs/dbraw/zinc/33/60/55/473336055.db2.gz XJOBJWKMONTUJQ-SFHVURJKSA-N 1 0 330.472 2.894 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)o1 ZINC000096200867 473336891 /nfs/dbraw/zinc/33/68/91/473336891.db2.gz YAVTYTJFVOCUHH-UXHICEINSA-N 1 0 341.455 2.501 40 0 EFABRO Cc1cccc(CN2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202064 473337063 /nfs/dbraw/zinc/33/70/63/473337063.db2.gz AODHKFAVVHBZCC-NRFANRHFSA-N 1 0 344.499 2.698 40 0 EFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)[C@@H]2C ZINC000096201220 473337485 /nfs/dbraw/zinc/33/74/85/473337485.db2.gz MRRCJFSNTLVCNK-CQSZACIVSA-N 1 0 346.500 2.931 40 0 EFABRO COc1ncccc1CN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096201215 473337666 /nfs/dbraw/zinc/33/76/66/473337666.db2.gz 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CC[NH+](CC)[C@@H]1CCO[C@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)C1 ZINC000096206760 473340235 /nfs/dbraw/zinc/34/02/35/473340235.db2.gz KJXXKTRWRUKWJT-UYAOXDASSA-N 1 0 348.462 2.860 40 0 EFABRO Cc1cc(CN2CCC3(C[C@H](COCC4CC4)[N@H+](C)C3)CC2)no1 ZINC000096206396 473340585 /nfs/dbraw/zinc/34/05/85/473340585.db2.gz ULOCGRWIRWZIGG-GOSISDBHSA-N 1 0 333.476 2.696 40 0 EFABRO O=C(CCc1ccccc1)N1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000083250776 473340908 /nfs/dbraw/zinc/34/09/08/473340908.db2.gz GITWAELRMNQJBT-IBGZPJMESA-N 1 0 330.472 2.723 40 0 EFABRO c1ncn2c1C[N@H+](CCc1ccccc1)C[C@H](COCC1CC1)C2 ZINC000096206230 473341155 /nfs/dbraw/zinc/34/11/55/473341155.db2.gz KOWHMWVMHBYBGD-IBGZPJMESA-N 1 0 325.456 2.984 40 0 EFABRO COCCC(=O)N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096203001 473341350 /nfs/dbraw/zinc/34/13/50/473341350.db2.gz XFQXOEGAJGGCPT-UHFFFAOYSA-N 1 0 336.863 2.801 40 0 EFABRO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)c1ccoc1)CC2 ZINC000096207070 473343776 /nfs/dbraw/zinc/34/37/76/473343776.db2.gz CNIBUONVVNWCHS-QGZVFWFLSA-N 1 0 332.444 2.633 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cc1 ZINC000096208726 473344097 /nfs/dbraw/zinc/34/40/97/473344097.db2.gz XTBLJWUUMIFMSJ-TZIWHRDSSA-N 1 0 342.483 2.995 40 0 EFABRO CCOC[C@@H]1CCC2(CCN(C(=O)C3CCSCC3)CC2)[N@@H+]1C ZINC000096208345 473344381 /nfs/dbraw/zinc/34/43/81/473344381.db2.gz CLWNXHXHBBLNST-INIZCTEOSA-N 1 0 340.533 2.622 40 0 EFABRO COC[C@@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@@H+]1CC1CC1 ZINC000096209508 473344574 /nfs/dbraw/zinc/34/45/74/473344574.db2.gz RGXSZJJTCBBGNG-SFHVURJKSA-N 1 0 332.488 2.979 40 0 EFABRO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)c1cscn1)CC2 ZINC000096209078 473344593 /nfs/dbraw/zinc/34/45/93/473344593.db2.gz INVINRAHBIYCKJ-HNNXBMFYSA-N 1 0 349.500 2.639 40 0 EFABRO Cc1cc(C(=O)N2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)cc(C)n1 ZINC000096209470 473345517 /nfs/dbraw/zinc/34/55/17/473345517.db2.gz XBQUELGDHUPWBG-UYAOXDASSA-N 1 0 343.471 2.558 40 0 EFABRO Fc1cccnc1OC[C@@H]1Cn2cncc2C[N@@H+](C2CCCC2)C1 ZINC000096209169 473345559 /nfs/dbraw/zinc/34/55/59/473345559.db2.gz ORJUZOIGECJXNB-AWEZNQCLSA-N 1 0 330.407 2.871 40 0 EFABRO COC[C@@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@@H+]1C ZINC000096209510 473345840 /nfs/dbraw/zinc/34/58/40/473345840.db2.gz HHRWPTCXAVWTHU-NFAHFFEMSA-N 1 0 334.485 2.863 40 0 EFABRO CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096216360 473346542 /nfs/dbraw/zinc/34/65/42/473346542.db2.gz LIYCGYNPQXQNND-LJQANCHMSA-N 1 0 344.499 2.872 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000096215425 473347097 /nfs/dbraw/zinc/34/70/97/473347097.db2.gz KYFPWPZQYMDSRQ-CQSZACIVSA-N 1 0 338.398 2.538 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000096216087 473347890 /nfs/dbraw/zinc/34/78/90/473347890.db2.gz MOMZTCMMMHOYJH-IBGZPJMESA-N 1 0 331.460 2.906 40 0 EFABRO CO[C@H]1CC[N@H+](Cc2ccoc2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096209889 473348228 /nfs/dbraw/zinc/34/82/28/473348228.db2.gz UWAZPSIDMZEQMT-KSZLIROESA-N 1 0 347.484 2.766 40 0 EFABRO Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349431 /nfs/dbraw/zinc/34/94/31/473349431.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 1 0 339.487 2.612 40 0 EFABRO O=C(N[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2)c1cccs1 ZINC000096221215 473353606 /nfs/dbraw/zinc/35/36/06/473353606.db2.gz BKTROAXCZBJBPD-CQSZACIVSA-N 1 0 346.452 2.895 40 0 EFABRO O=C(CC1CC1)N[C@@H]1COCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096219500 473351734 /nfs/dbraw/zinc/35/17/34/473351734.db2.gz UXCPTYLNNVQNHY-QGZVFWFLSA-N 1 0 332.444 2.567 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096218563 473352095 /nfs/dbraw/zinc/35/20/95/473352095.db2.gz APOZPRWWFAFKPO-MOPGFXCFSA-N 1 0 343.427 2.746 40 0 EFABRO C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096219368 473352334 /nfs/dbraw/zinc/35/23/34/473352334.db2.gz QGEWELSZQYSZKH-UYAOXDASSA-N 1 0 341.455 2.645 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)Cc1ccco1)CC2 ZINC000096219327 473352565 /nfs/dbraw/zinc/35/25/65/473352565.db2.gz NCKSIVMPLNJTFR-INIZCTEOSA-N 1 0 334.460 2.560 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096219771 473353029 /nfs/dbraw/zinc/35/30/29/473353029.db2.gz WDNLJTAXRWXEAW-YJBOKZPZSA-N 1 0 344.484 2.716 40 0 EFABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccc3ccccc3n1)C2 ZINC000096219901 473353517 /nfs/dbraw/zinc/35/35/17/473353517.db2.gz QCIHNZJPPNJGQP-YLJYHZDGSA-N 1 0 325.456 2.635 40 0 EFABRO O=C(N[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2)c1cccs1 ZINC000096221222 473354435 /nfs/dbraw/zinc/35/44/35/473354435.db2.gz CBLFOYXZBJTPRU-HNNXBMFYSA-N 1 0 346.452 2.895 40 0 EFABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096224434 473355423 /nfs/dbraw/zinc/35/54/23/473355423.db2.gz FYHYAVAXNCNVID-IBGZPJMESA-N 1 0 325.412 2.689 40 0 EFABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096224311 473355790 /nfs/dbraw/zinc/35/57/90/473355790.db2.gz UBVXIEVVVLHIDX-IBGZPJMESA-N 1 0 325.412 2.689 40 0 EFABRO CC(C)[N@H+](C)C[C@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)CO1 ZINC000096224949 473357021 /nfs/dbraw/zinc/35/70/21/473357021.db2.gz FQZRRQFOEMBVDK-GOSISDBHSA-N 1 0 345.487 2.823 40 0 EFABRO c1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096229057 473359050 /nfs/dbraw/zinc/35/90/50/473359050.db2.gz DHOJHVAMWYXOBG-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO c1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096229054 473359731 /nfs/dbraw/zinc/35/97/31/473359731.db2.gz UAEKZOHVANEGJB-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO Cc1nc(CN2C[C@@]3(CC[N@H+](Cc4ccco4)C3)CC2=O)cs1 ZINC000096239361 473360866 /nfs/dbraw/zinc/36/08/66/473360866.db2.gz YIUCWUDKKJMTEH-KRWDZBQOSA-N 1 0 331.441 2.669 40 0 EFABRO COc1ccc2c(c1)C1(CCN(C(=O)c3ccoc3)CC1)[N@@H+](C)CC2 ZINC000096242673 473361635 /nfs/dbraw/zinc/36/16/35/473361635.db2.gz OEBNPPJCCBMVGH-UHFFFAOYSA-N 1 0 340.423 2.908 40 0 EFABRO CS(=O)(=O)N1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096241348 473362305 /nfs/dbraw/zinc/36/23/05/473362305.db2.gz GNGQHGNPODIFQJ-UHFFFAOYSA-N 1 0 346.452 2.593 40 0 EFABRO CC(=O)N1CCC2(C[C@H]([NH+]3CCOCC3)c3ccc(C)cc32)CC1 ZINC000096241755 473362431 /nfs/dbraw/zinc/36/24/31/473362431.db2.gz ZGXPGYHHJBWFRX-IBGZPJMESA-N 1 0 328.456 2.652 40 0 EFABRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000096261149 473367417 /nfs/dbraw/zinc/36/74/17/473367417.db2.gz XNWFXWGRUQWEOZ-MJGOQNOKSA-N 1 0 342.483 2.894 40 0 EFABRO c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096251708 473364144 /nfs/dbraw/zinc/36/41/44/473364144.db2.gz GFNQXXROXBVVLH-ACRUOGEOSA-N 1 0 335.451 2.684 40 0 EFABRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096261148 473367829 /nfs/dbraw/zinc/36/78/29/473367829.db2.gz XNWFXWGRUQWEOZ-PKOBYXMFSA-N 1 0 342.483 2.894 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)n1 ZINC000096245317 473364925 /nfs/dbraw/zinc/36/49/25/473364925.db2.gz FANPYNDXYJCLLP-LPHOPBHVSA-N 1 0 339.414 2.620 40 0 EFABRO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CCN1Cc1ccncc1 ZINC000096249091 473364977 /nfs/dbraw/zinc/36/49/77/473364977.db2.gz RYNLUJVHOCQDOL-DOTOQJQBSA-N 1 0 327.453 2.624 40 0 EFABRO Cn1cc(-c2ncnc3c2CC[N@H+](Cc2cccs2)CC3)cn1 ZINC000096255186 473366440 /nfs/dbraw/zinc/36/64/40/473366440.db2.gz FZDBRIJVOGABLG-UHFFFAOYSA-N 1 0 325.441 2.539 40 0 EFABRO CCN1C(=O)C[C@H](c2cnn(C)c2)C12CC[NH+](CC1CCCC1)CC2 ZINC000096261220 473367944 /nfs/dbraw/zinc/36/79/44/473367944.db2.gz WCOZKJPIZLKSDC-GOSISDBHSA-N 1 0 344.503 2.781 40 0 EFABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4C)C[C@@H]32)C(=O)N1C ZINC000096261586 473369127 /nfs/dbraw/zinc/36/91/27/473369127.db2.gz LQUYAYKCTUBAMB-FUHIMQAGSA-N 1 0 325.456 2.856 40 0 EFABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1 ZINC000096261568 473369244 /nfs/dbraw/zinc/36/92/44/473369244.db2.gz FEZXTZCFKKWPPO-QIIPPGSGSA-N 1 0 331.847 2.859 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSC(C)(C)C ZINC000096407626 473386137 /nfs/dbraw/zinc/38/61/37/473386137.db2.gz AAFSRAINGCPTQI-ZBFHGGJFSA-N 1 0 335.517 2.940 40 0 EFABRO CCc1ncncc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000096408500 473387015 /nfs/dbraw/zinc/38/70/15/473387015.db2.gz CEVSRVFGAAVNDG-UHFFFAOYSA-N 1 0 348.834 2.885 40 0 EFABRO COCCC[NH+]1CCC(NC(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000096410106 473388802 /nfs/dbraw/zinc/38/88/02/473388802.db2.gz QOOGADSWKAVIJG-INIZCTEOSA-N 1 0 346.471 2.560 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1 ZINC000096410672 473388923 /nfs/dbraw/zinc/38/89/23/473388923.db2.gz SMUCUZKUIUPFLO-XDHUDOTRSA-N 1 0 345.468 2.848 40 0 EFABRO CSCC[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000096413108 473391954 /nfs/dbraw/zinc/39/19/54/473391954.db2.gz KYCNUUSTHNKUOK-LBPRGKRZSA-N 1 0 327.469 2.828 40 0 EFABRO Nc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000000004748 471317117 /nfs/dbraw/zinc/31/71/17/471317117.db2.gz DLNAKYFPFYUBDR-HDICACEKSA-N 1 0 335.451 2.863 40 0 in-man EFABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000001454862 471392589 /nfs/dbraw/zinc/39/25/89/471392589.db2.gz QXOGOSIEFJJFNU-SFHVURJKSA-N 1 0 347.499 2.929 40 0 EFABRO COc1cc2cccnc2c(NC[C@](C)(O)C[NH+]2CCCCC2)c1 ZINC000001655472 471395100 /nfs/dbraw/zinc/39/51/00/471395100.db2.gz VZGPVEMFEPUXIX-IBGZPJMESA-N 1 0 329.444 2.892 40 0 EFABRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@](O)(C1=CCCC1)c1ccccc1 ZINC000001641825 471395395 /nfs/dbraw/zinc/39/53/95/471395395.db2.gz HRGZDUGJXKGXRU-AZUAARDMSA-N 1 0 327.424 2.622 40 0 EFABRO OCC[NH+](CCO)CCN1c2ccccc2Sc2ccccc21 ZINC000001688188 471397003 /nfs/dbraw/zinc/39/70/03/471397003.db2.gz OEUZTVNAUVDNLM-UHFFFAOYSA-N 1 0 330.453 2.576 40 0 EFABRO CCCCOc1cc(C(=O)NCC[NH+](CC)CC)cc(Cl)n1 ZINC000001676674 471397135 /nfs/dbraw/zinc/39/71/35/471397135.db2.gz PIQTVKKOOIXOBR-UHFFFAOYSA-N 1 0 327.856 2.986 40 0 EFABRO C[N@@H+]1CCC[C@@H](OC(=O)c2ccccc2I)C1 ZINC000003258772 471438472 /nfs/dbraw/zinc/43/84/72/471438472.db2.gz JWNYCJIVZCFMFJ-SNVBAGLBSA-N 1 0 345.180 2.542 40 0 EFABRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000005571619 471511666 /nfs/dbraw/zinc/51/16/66/471511666.db2.gz ZTDSPNOCGBNSNX-UHFFFAOYSA-N 1 0 344.227 2.679 40 0 EFABRO O=c1[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000005595982 471512658 /nfs/dbraw/zinc/51/26/58/471512658.db2.gz CQJZMPNDJNOQEQ-UHFFFAOYSA-N 1 0 338.455 2.725 40 0 EFABRO C=C1[NH+]=C(SC)N[C@@H](c2ccc(O)c(OC)c2)C1C(=O)OCC ZINC000006655365 471557041 /nfs/dbraw/zinc/55/70/41/471557041.db2.gz AADFHRICSHHYLT-AWEZNQCLSA-N 1 0 336.413 2.601 40 0 EFABRO COc1cccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000007105735 471591333 /nfs/dbraw/zinc/59/13/33/471591333.db2.gz BTMJTZXVAXGZCH-UHFFFAOYSA-N 1 0 325.412 2.699 40 0 EFABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OC ZINC000008253658 471674843 /nfs/dbraw/zinc/67/48/43/471674843.db2.gz QQLJRKWEYSRESA-UHFFFAOYSA-N 1 0 342.867 2.559 40 0 EFABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008469960 471689029 /nfs/dbraw/zinc/68/90/29/471689029.db2.gz FCNZWSBJPKDSTG-UHFFFAOYSA-N 1 0 331.368 2.731 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000012292394 471770820 /nfs/dbraw/zinc/77/08/20/471770820.db2.gz IEXJXWCUJQTYAV-QUCCMNQESA-N 1 0 345.414 2.851 40 0 EFABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc(O)cc4)C3)cc(N)n2n1 ZINC000012667343 471788634 /nfs/dbraw/zinc/78/86/34/471788634.db2.gz AJSMCEJNMHBPKG-HNNXBMFYSA-N 1 0 337.427 2.705 40 0 EFABRO CC(C)n1ncc2cc(C(=O)NCC[NH+](C(C)C)C(C)C)cnc21 ZINC000012932206 471807332 /nfs/dbraw/zinc/80/73/32/471807332.db2.gz DNIHWHDDJRLGEZ-UHFFFAOYSA-N 1 0 331.464 2.861 40 0 EFABRO Cc1c(-c2cc(C(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)on2)cnn1C ZINC000013641803 471836158 /nfs/dbraw/zinc/83/61/58/471836158.db2.gz CFLSKOOVGODJAP-CYBMUJFWSA-N 1 0 347.463 2.621 40 0 EFABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000013674414 471837112 /nfs/dbraw/zinc/83/71/12/471837112.db2.gz WGECWCMFARAZIR-UHFFFAOYSA-N 1 0 340.489 2.548 40 0 EFABRO COc1cc2cc(C[NH2+]CCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000013999237 471847881 /nfs/dbraw/zinc/84/78/81/471847881.db2.gz FJSZRMIXEHGCFH-UHFFFAOYSA-N 1 0 338.407 2.878 40 0 EFABRO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674432 471913967 /nfs/dbraw/zinc/91/39/67/471913967.db2.gz QVNSLJIMBSOEGD-CVEARBPZSA-N 1 0 328.416 2.820 40 0 biogenic,in-vitro EFABRO CC(C)/C=C\[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000017249796 471958434 /nfs/dbraw/zinc/95/84/34/471958434.db2.gz LFEGCLWKAFYJIE-NCJCTJFTSA-N 1 0 329.440 2.724 40 0 EFABRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC000017803901 471964706 /nfs/dbraw/zinc/96/47/06/471964706.db2.gz CACBTTLDUVKCOD-IBGZPJMESA-N 1 0 326.440 2.926 40 0 EFABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc2O1 ZINC000019498041 471980115 /nfs/dbraw/zinc/98/01/15/471980115.db2.gz BJZKWRMMJPFFQV-OXQOHEQNSA-N 1 0 338.451 2.866 40 0 EFABRO CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019496726 471980224 /nfs/dbraw/zinc/98/02/24/471980224.db2.gz CVRMGYUNTNXTCP-GHTZIAJQSA-N 1 0 340.467 2.622 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704881 471983403 /nfs/dbraw/zinc/98/34/03/471983403.db2.gz RTLVFXRYIWPSSV-AWEZNQCLSA-N 1 0 335.411 2.605 40 0 EFABRO CNc1cc(C[N@H+](C)CC(C)(C)C)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019759908 471984991 /nfs/dbraw/zinc/98/49/91/471984991.db2.gz KVGJANGNAGMTSS-HNNXBMFYSA-N 1 0 333.480 2.680 40 0 EFABRO C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503484 471990338 /nfs/dbraw/zinc/99/03/38/471990338.db2.gz UTQISLHZBQPBEW-OZRQEOMLSA-N 1 0 340.423 2.586 40 0 biogenic,in-vitro EFABRO CCCCCC(=O)Nc1cc(C(=O)OC)ccc1N1CC[NH+](C)CC1 ZINC000021595891 472002527 /nfs/dbraw/zinc/00/25/27/472002527.db2.gz AWXJAEKCHORVAN-UHFFFAOYSA-N 1 0 347.459 2.744 40 0 EFABRO C[C@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022075789 472009786 /nfs/dbraw/zinc/00/97/86/472009786.db2.gz VMJIFPQUNNAEHM-HNNXBMFYSA-N 1 0 348.874 2.979 40 0 EFABRO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736555 472037328 /nfs/dbraw/zinc/03/73/28/472037328.db2.gz VQEYZCLMKONLAE-RCCFBDPRSA-N 1 0 334.504 2.964 40 0 EFABRO O=S(=O)(Cc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000025767397 472110528 /nfs/dbraw/zinc/11/05/28/472110528.db2.gz MWXAAEROYAPHJJ-UHFFFAOYSA-N 1 0 344.480 2.902 40 0 EFABRO O[C@H](COc1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000026780896 472148546 /nfs/dbraw/zinc/14/85/46/472148546.db2.gz HLWHYSGVJNPWHM-SFHVURJKSA-N 1 0 346.858 2.902 40 0 EFABRO C[NH+](C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000027150674 472164169 /nfs/dbraw/zinc/16/41/69/472164169.db2.gz JDVPRRHKCAZINZ-QGZVFWFLSA-N 1 0 340.423 2.767 40 0 EFABRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000027530303 472179444 /nfs/dbraw/zinc/17/94/44/472179444.db2.gz RAAQWHZPYFVJFK-RHSMWYFYSA-N 1 0 329.396 2.564 40 0 EFABRO CSc1ccc(OCC[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000075717401 472188818 /nfs/dbraw/zinc/18/88/18/472188818.db2.gz WBNKXSPMVLFIBY-UHFFFAOYSA-N 1 0 334.485 2.874 40 0 EFABRO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220954 472216896 /nfs/dbraw/zinc/21/68/96/472216896.db2.gz JTRSLFFZYOZOII-WBVHZDCISA-N 1 0 336.863 2.847 40 0 EFABRO C[NH+](C)CCn1cc(-c2ccc(I)cc2)cn1 ZINC000085393776 472241663 /nfs/dbraw/zinc/24/16/63/472241663.db2.gz AJXGATZGZMJBDA-UHFFFAOYSA-N 1 0 341.196 2.716 40 0 EFABRO C[C@H](Oc1ccccc1)C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085436274 472248276 /nfs/dbraw/zinc/24/82/76/472248276.db2.gz GKHOBZXTFIIKMI-DLBZAZTESA-N 1 0 348.512 2.884 40 0 EFABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)Nc2cccs2)CC1 ZINC000085468306 472251906 /nfs/dbraw/zinc/25/19/06/472251906.db2.gz RKUFYCKPMDVSJX-AWEZNQCLSA-N 1 0 336.505 2.628 40 0 EFABRO CCc1ccc(C(=O)N2CCC(C[N@@H+]3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468152 472251997 /nfs/dbraw/zinc/25/19/97/472251997.db2.gz VYDIUPFTZHBFNC-KRWDZBQOSA-N 1 0 343.515 2.737 40 0 EFABRO COCC[NH+]1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000085467939 472252297 /nfs/dbraw/zinc/25/22/97/472252297.db2.gz ZAODDSYVPBXPJJ-UHFFFAOYSA-N 1 0 330.350 2.546 40 0 EFABRO CCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043959429 472276158 /nfs/dbraw/zinc/27/61/58/472276158.db2.gz VJULNOWQDYORGG-UHFFFAOYSA-N 1 0 342.530 2.560 40 0 EFABRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000044501414 472312196 /nfs/dbraw/zinc/31/21/96/472312196.db2.gz ZZZFDMSHRTWCON-SECBINFHSA-N 1 0 331.641 2.832 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000076317284 472319898 /nfs/dbraw/zinc/31/98/98/472319898.db2.gz IAVVPMVJSGHIQL-MRXNPFEDSA-N 1 0 348.472 2.870 40 0 EFABRO Cc1cc(Cl)ccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000076329918 472321482 /nfs/dbraw/zinc/32/14/82/472321482.db2.gz HDLJFCSSFNCPAZ-CYBMUJFWSA-N 1 0 338.883 2.653 40 0 EFABRO Cc1nccn1Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000044908122 472351591 /nfs/dbraw/zinc/35/15/91/472351591.db2.gz CNGTYDDPRNNWNX-UHFFFAOYSA-N 1 0 340.471 2.846 40 0 EFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000044907938 472351957 /nfs/dbraw/zinc/35/19/57/472351957.db2.gz MOPZDDYYZBQHGP-UHFFFAOYSA-N 1 0 340.471 2.927 40 0 EFABRO CC1CC[NH+](CCCNC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000044914105 472352472 /nfs/dbraw/zinc/35/24/72/472352472.db2.gz MPNNDHMUHNHEDO-UHFFFAOYSA-N 1 0 340.471 2.783 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000076472126 472352423 /nfs/dbraw/zinc/35/24/23/472352423.db2.gz WEMFGYJMXZCRSH-UYAOXDASSA-N 1 0 343.515 2.666 40 0 EFABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000031075261 472361846 /nfs/dbraw/zinc/36/18/46/472361846.db2.gz NNDQUUFMHQUZCL-UHFFFAOYSA-N 1 0 330.453 2.761 40 0 EFABRO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069742365 472416306 /nfs/dbraw/zinc/41/63/06/472416306.db2.gz VDHWOMOEMMJAEW-YZGWKJHDSA-N 1 0 342.483 2.669 40 0 EFABRO Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069742359 472416571 /nfs/dbraw/zinc/41/65/71/472416571.db2.gz VDHWOMOEMMJAEW-HOJAQTOUSA-N 1 0 342.483 2.669 40 0 EFABRO CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C2CC2)no1 ZINC000069762498 472420966 /nfs/dbraw/zinc/42/09/66/472420966.db2.gz BZSXUDHXIINEIN-HNNXBMFYSA-N 1 0 347.463 2.570 40 0 EFABRO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000076981450 472438143 /nfs/dbraw/zinc/43/81/43/472438143.db2.gz OEZHILIETPXKMN-SWLSCSKDSA-N 1 0 336.505 2.947 40 0 EFABRO C[C@H](C[N@@H+]1CCCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103881 472448980 /nfs/dbraw/zinc/44/89/80/472448980.db2.gz ACHHXTRQFJWOEW-OAHLLOKOSA-N 1 0 337.895 2.539 40 0 EFABRO Cc1cc(F)ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000045744729 472452356 /nfs/dbraw/zinc/45/23/56/472452356.db2.gz YVQCLFWAHQFHGW-ZDUSSCGKSA-N 1 0 328.453 2.534 40 0 EFABRO O=C1CC[C@@H]([NH2+]Cc2ccc(O)cc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000057760505 472471585 /nfs/dbraw/zinc/47/15/85/472471585.db2.gz RPYTXVFGHVVWNG-AEFFLSMTSA-N 1 0 332.350 2.780 40 0 EFABRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000032929492 472482845 /nfs/dbraw/zinc/48/28/45/472482845.db2.gz JCHHVVABLIMIRB-HNNXBMFYSA-N 1 0 332.469 2.850 40 0 EFABRO COc1ccccc1C1(C[NH2+][C@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000097230738 472483352 /nfs/dbraw/zinc/48/33/52/472483352.db2.gz XHQLIXZAALMHJN-HNNXBMFYSA-N 1 0 337.485 2.674 40 0 EFABRO c1cnc(N2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)nc1 ZINC000097231026 472483778 /nfs/dbraw/zinc/48/37/78/472483778.db2.gz MDXZKDSZGCEUNV-XDNAFOTISA-N 1 0 342.487 2.630 40 0 EFABRO CC[C@](C)([NH2+]Cc1cc(Br)cc2cccnc21)C(N)=O ZINC000097228049 472484048 /nfs/dbraw/zinc/48/40/48/472484048.db2.gz NLIYCUNNNMYZMU-HNNXBMFYSA-N 1 0 336.233 2.741 40 0 EFABRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccncc1 ZINC000097370681 472491909 /nfs/dbraw/zinc/49/19/09/472491909.db2.gz BMDLIKNSWVSUPP-NSHDSACASA-N 1 0 326.368 2.929 40 0 EFABRO CC(C)[NH+]1CCC(Nc2cc(-c3cccs3)nn2CCO)CC1 ZINC000097371307 472492070 /nfs/dbraw/zinc/49/20/70/472492070.db2.gz LOTXSHSTJTYYAD-UHFFFAOYSA-N 1 0 334.489 2.889 40 0 EFABRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000070173343 472494525 /nfs/dbraw/zinc/49/45/25/472494525.db2.gz LOCIOUDBRIVSEK-NXEZZACHSA-N 1 0 329.213 2.788 40 0 EFABRO Cc1nc(-c2cccc(CNC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897658 472538955 /nfs/dbraw/zinc/53/89/55/472538955.db2.gz QKUKMWDIVDITBL-HZSPNIEDSA-N 1 0 341.459 2.658 40 0 EFABRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000072012768 472629125 /nfs/dbraw/zinc/62/91/25/472629125.db2.gz CIPHESLRTBRJDI-ZDUSSCGKSA-N 1 0 344.846 2.740 40 0 EFABRO Cc1cccc([C@@H](O)C[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000090521097 472630327 /nfs/dbraw/zinc/63/03/27/472630327.db2.gz ZXOVOQXAVPHNDM-FQEVSTJZSA-N 1 0 325.456 2.678 40 0 EFABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000046960534 472632685 /nfs/dbraw/zinc/63/26/85/472632685.db2.gz PGHBYXHEWJIUMG-INIZCTEOSA-N 1 0 343.471 2.665 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216279 472634158 /nfs/dbraw/zinc/63/41/58/472634158.db2.gz NOBPQGFSWSQQOA-OAHLLOKOSA-N 1 0 332.448 2.563 40 0 EFABRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224747 472634231 /nfs/dbraw/zinc/63/42/31/472634231.db2.gz CJPOOZPJZKOGHI-UHFFFAOYSA-N 1 0 348.491 2.945 40 0 EFABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216448 472635254 /nfs/dbraw/zinc/63/52/54/472635254.db2.gz SRTFMEMUFVKIDP-MRXNPFEDSA-N 1 0 346.475 2.905 40 0 EFABRO Cc1cccc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)c1Cl ZINC000120224492 472652140 /nfs/dbraw/zinc/65/21/40/472652140.db2.gz AOYARIGIQDABDT-AWEZNQCLSA-N 1 0 337.851 2.834 40 0 EFABRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780124 472656820 /nfs/dbraw/zinc/65/68/20/472656820.db2.gz NYOHCPVKYOHNKR-IFXJQAMLSA-N 1 0 345.464 2.575 40 0 EFABRO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)CC1 ZINC000072335454 472661680 /nfs/dbraw/zinc/66/16/80/472661680.db2.gz XAKDTXZSFIIPDS-UHFFFAOYSA-N 1 0 344.503 2.945 40 0 EFABRO Cc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34Nc3ccccc3C(=O)N4)C2)n1 ZINC000072326857 472662198 /nfs/dbraw/zinc/66/21/98/472662198.db2.gz QWOWYJYNOKTMEM-YWMUFLPLSA-N 1 0 348.450 2.784 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072359090 472664017 /nfs/dbraw/zinc/66/40/17/472664017.db2.gz ZJCKIXFSVINMPN-OAHLLOKOSA-N 1 0 342.418 2.550 40 0 EFABRO CC(C)OC(=O)N1CCC([NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000091060437 472690735 /nfs/dbraw/zinc/69/07/35/472690735.db2.gz FPUXLTHLNBUBQJ-UHFFFAOYSA-N 1 0 342.443 2.971 40 0 EFABRO Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156312424 472691281 /nfs/dbraw/zinc/69/12/81/472691281.db2.gz VIMVKIUJCMOEST-CQSZACIVSA-N 1 0 338.398 2.819 40 0 EFABRO OC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Cl)c(F)c1 ZINC000156429255 472706038 /nfs/dbraw/zinc/70/60/38/472706038.db2.gz MTUFOYOQDTYILA-OAHLLOKOSA-N 1 0 329.799 2.788 40 0 EFABRO COC(=O)c1c(NC(=O)[C@H]2CCC[N@H+](C)C2)sc2c1CCCC2 ZINC000078578532 472737133 /nfs/dbraw/zinc/73/71/33/472737133.db2.gz XMUDQGQWAITROE-NSHDSACASA-N 1 0 336.457 2.694 40 0 EFABRO COc1cccc([C@@H]2[C@@H]([NH2+]C3CCN(C)CC3)CCN2C2CC2)c1 ZINC000157041273 472778518 /nfs/dbraw/zinc/77/85/18/472778518.db2.gz DILBIQPHBVSQLP-VQTJNVASSA-N 1 0 329.488 2.657 40 0 EFABRO C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000079041070 472809888 /nfs/dbraw/zinc/80/98/88/472809888.db2.gz JZKSVNRXORBCPQ-CABCVRRESA-N 1 0 333.432 2.595 40 0 EFABRO C[C@H]1CCCC[C@H]1OCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000079043873 472810904 /nfs/dbraw/zinc/81/09/04/472810904.db2.gz GKVDJWATDHKXJA-QFBILLFUSA-N 1 0 345.487 2.758 40 0 EFABRO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000157855516 472865764 /nfs/dbraw/zinc/86/57/64/472865764.db2.gz YXZLIXJEDLBQLP-LPHOPBHVSA-N 1 0 344.499 2.962 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743310 472866798 /nfs/dbraw/zinc/86/67/98/472866798.db2.gz LLJQXLOLNPSYTN-MRXNPFEDSA-N 1 0 331.460 2.523 40 0 EFABRO O=C(c1ccc2c(c1)COCO2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000073880562 472894496 /nfs/dbraw/zinc/89/44/96/472894496.db2.gz RZSJGJBSLJKZNY-UHFFFAOYSA-N 1 0 330.428 2.644 40 0 EFABRO O=C(Cn1cccn1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829334 472896451 /nfs/dbraw/zinc/89/64/51/472896451.db2.gz LSGYUUQNHWGXCI-UHFFFAOYSA-N 1 0 346.862 2.565 40 0 EFABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3F)C2)o1 ZINC000049170457 472933442 /nfs/dbraw/zinc/93/34/42/472933442.db2.gz RXCIDISFOWKGLB-ZDUSSCGKSA-N 1 0 327.363 2.599 40 0 biogenic,in-vitro EFABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)n1 ZINC000107226201 472934852 /nfs/dbraw/zinc/93/48/52/472934852.db2.gz FAJHCCKMABPPJX-VQIMIIECSA-N 1 0 342.418 2.770 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000107226570 472935027 /nfs/dbraw/zinc/93/50/27/472935027.db2.gz BSMISWUCEVVFHF-CJNGLKHVSA-N 1 0 334.420 2.523 40 0 EFABRO Fc1cccnc1N[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000107228487 472935146 /nfs/dbraw/zinc/93/51/46/472935146.db2.gz QPMYOHBLITWRLZ-APWZRJJASA-N 1 0 342.418 2.851 40 0 EFABRO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000107271484 472937288 /nfs/dbraw/zinc/93/72/88/472937288.db2.gz RUSURTAEFBHMCT-GOSISDBHSA-N 1 0 338.455 2.644 40 0 EFABRO O=C([C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2CC1CC1)N1CCCC1 ZINC000107274833 472937776 /nfs/dbraw/zinc/93/77/76/472937776.db2.gz AFQPIPVIRUXUAT-ICSRJNTNSA-N 1 0 326.440 2.519 40 0 EFABRO CC[C@H](CNC(=O)C1CC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000121909802 472943348 /nfs/dbraw/zinc/94/33/48/472943348.db2.gz FJQROOVRXKYNEN-CYBMUJFWSA-N 1 0 344.377 2.979 40 0 EFABRO Cc1c(C(=O)N2CCCC2)c(C(F)(F)F)nn1C1CC[NH+](C)CC1 ZINC000049362575 472946364 /nfs/dbraw/zinc/94/63/64/472946364.db2.gz WDYFZPWKBMYXMD-UHFFFAOYSA-N 1 0 344.381 2.713 40 0 EFABRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666329 472957837 /nfs/dbraw/zinc/95/78/37/472957837.db2.gz GOGIOPOTUBKFRB-HDICACEKSA-N 1 0 347.551 2.629 40 0 EFABRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000065514724 472961042 /nfs/dbraw/zinc/96/10/42/472961042.db2.gz CESIPWNCKGHGNU-MRXNPFEDSA-N 1 0 347.418 2.945 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731390 472979358 /nfs/dbraw/zinc/97/93/58/472979358.db2.gz ZSUPZBRVNNTAMD-IEBWSBKVSA-N 1 0 327.428 2.888 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nc1 ZINC000107731191 472979560 /nfs/dbraw/zinc/97/95/60/472979560.db2.gz OBHLCDRQUBATGK-NVXWUHKLSA-N 1 0 348.447 2.913 40 0 EFABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000108524195 473033991 /nfs/dbraw/zinc/03/39/91/473033991.db2.gz CPUYFKBQRFBULB-DLBZAZTESA-N 1 0 335.492 2.628 40 0 EFABRO COCCNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108528747 473035420 /nfs/dbraw/zinc/03/54/20/473035420.db2.gz HCMCOVBFOGMSKY-VQIMIIECSA-N 1 0 334.435 2.581 40 0 EFABRO Fc1cccc(C[N@@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1 ZINC000108531449 473035962 /nfs/dbraw/zinc/03/59/62/473035962.db2.gz YVZPUOSOHKWELG-PMACEKPBSA-N 1 0 341.430 2.696 40 0 EFABRO O=C(N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108533654 473037985 /nfs/dbraw/zinc/03/79/85/473037985.db2.gz VEDYKHWZQXXSHQ-QGZVFWFLSA-N 1 0 346.446 2.866 40 0 EFABRO CC(=O)NC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000074989744 473108155 /nfs/dbraw/zinc/10/81/55/473108155.db2.gz VKQGTOXWGZFGMC-UHFFFAOYSA-N 1 0 346.349 2.565 40 0 EFABRO COc1ccc(OC)c(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)c1 ZINC000136087388 473133694 /nfs/dbraw/zinc/13/36/94/473133694.db2.gz FDSARQCOMLULJX-UHFFFAOYSA-N 1 0 331.392 2.901 40 0 EFABRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000136864342 473181958 /nfs/dbraw/zinc/18/19/58/473181958.db2.gz LVEOPDMEIYJIMW-DLBZAZTESA-N 1 0 344.455 2.575 40 0 EFABRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H](c1cnn(C)c1)N(C)C ZINC000095422630 473201275 /nfs/dbraw/zinc/20/12/75/473201275.db2.gz LKGFPLKSJHXDAJ-ROUUACIJSA-N 1 0 328.460 2.835 40 0 EFABRO C[C@H]1C[C@H](N(C)C(=O)COCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000096413964 473393500 /nfs/dbraw/zinc/39/35/00/473393500.db2.gz GSJZLFRBJYMDHX-QFBILLFUSA-N 1 0 330.472 2.925 40 0 EFABRO CC(C)[C@@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[NH+](C)C ZINC000096417206 473396140 /nfs/dbraw/zinc/39/61/40/473396140.db2.gz KCWPNBDYENQVDR-YOEHRIQHSA-N 1 0 337.439 2.941 40 0 EFABRO CC[C@@]1(C)CN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCO1 ZINC000190822418 473401826 /nfs/dbraw/zinc/40/18/26/473401826.db2.gz GRASBDFWZKUIFY-MDZRGWNJSA-N 1 0 337.508 2.850 40 0 EFABRO C[C@@H](C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1cccs1 ZINC000096425271 473403995 /nfs/dbraw/zinc/40/39/95/473403995.db2.gz VOKOABUEPWNFFA-LLVKDONJSA-N 1 0 331.441 2.651 40 0 EFABRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000096425272 473404118 /nfs/dbraw/zinc/40/41/18/473404118.db2.gz XNQKHADEQBTKLN-UHFFFAOYSA-N 1 0 345.830 2.682 40 0 EFABRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000096432182 473410791 /nfs/dbraw/zinc/41/07/91/473410791.db2.gz GVILURGVPDIHEY-QGZVFWFLSA-N 1 0 343.471 2.608 40 0 EFABRO O=C(CCCc1nc(C2CC2)no1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096431851 473410843 /nfs/dbraw/zinc/41/08/43/473410843.db2.gz RJXAZHQCEUGRAT-INIZCTEOSA-N 1 0 346.475 2.650 40 0 EFABRO Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000096435741 473414974 /nfs/dbraw/zinc/41/49/74/473414974.db2.gz VSDZVYOFASOKCR-SFHVURJKSA-N 1 0 339.439 2.774 40 0 EFABRO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096439870 473417969 /nfs/dbraw/zinc/41/79/69/473417969.db2.gz MUABDEMJMCWDES-QRVBRYPASA-N 1 0 345.487 2.512 40 0 EFABRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C)n(C)n1 ZINC000096441183 473420523 /nfs/dbraw/zinc/42/05/23/473420523.db2.gz MRBMGOBDIHEPAC-GOSISDBHSA-N 1 0 340.471 2.713 40 0 EFABRO Cc1c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cnn1C ZINC000096443921 473420859 /nfs/dbraw/zinc/42/08/59/473420859.db2.gz YVYOSXMDPZCNSW-AWEZNQCLSA-N 1 0 342.443 2.701 40 0 EFABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000096453069 473428370 /nfs/dbraw/zinc/42/83/70/473428370.db2.gz HOTXXKVAQKQVJX-HNNXBMFYSA-N 1 0 342.443 2.825 40 0 EFABRO Cc1cccc([C@H](C)NC(=O)NCCN2CCC([NH+](C)C)CC2)c1C ZINC000096452357 473429207 /nfs/dbraw/zinc/42/92/07/473429207.db2.gz XOOUXBFHXBSWPN-KRWDZBQOSA-N 1 0 346.519 2.690 40 0 EFABRO C[NH+](C)C1(CNc2nc(-c3ccc(Cl)cc3)no2)CCOCC1 ZINC000096452670 473429303 /nfs/dbraw/zinc/42/93/03/473429303.db2.gz PKRHRMKLGHMZEA-UHFFFAOYSA-N 1 0 336.823 2.913 40 0 EFABRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000096466990 473435103 /nfs/dbraw/zinc/43/51/03/473435103.db2.gz WXWLQJZDLYVMSR-SJORKVTESA-N 1 0 347.459 2.504 40 0 EFABRO NC(=O)COc1cccc(C[NH2+]Cc2cc(F)cc3cccnc32)c1 ZINC000096473103 473437077 /nfs/dbraw/zinc/43/70/77/473437077.db2.gz DIVJBWAWUQIQMP-UHFFFAOYSA-N 1 0 339.370 2.528 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000096478129 473439794 /nfs/dbraw/zinc/43/97/94/473439794.db2.gz FTCFBYACFAOOQJ-SCLBCKFNSA-N 1 0 348.468 2.971 40 0 EFABRO Cn1nccc1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000096476605 473439903 /nfs/dbraw/zinc/43/99/03/473439903.db2.gz LSYFUNRXSBGNOI-UHFFFAOYSA-N 1 0 336.842 2.967 40 0 EFABRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479371 473440524 /nfs/dbraw/zinc/44/05/24/473440524.db2.gz LCBHFTPLFRMVNO-BBRMVZONSA-N 1 0 330.428 2.857 40 0 EFABRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000096479292 473441335 /nfs/dbraw/zinc/44/13/35/473441335.db2.gz UACXPIDYKPNTLN-WFASDCNBSA-N 1 0 328.503 2.994 40 0 EFABRO CC(C)(C)c1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)s1 ZINC000096482625 473441951 /nfs/dbraw/zinc/44/19/51/473441951.db2.gz GMWNSZFBXMEWOX-UHFFFAOYSA-N 1 0 344.546 2.807 40 0 EFABRO O=C1[C@@H]([NH2+]CCn2cccn2)CCN1c1ccc(Cl)cc1Cl ZINC000190965764 473443696 /nfs/dbraw/zinc/44/36/96/473443696.db2.gz AQULBYQJXFZHRP-ZDUSSCGKSA-N 1 0 339.226 2.585 40 0 EFABRO Cc1nccn1CCC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000096485960 473445117 /nfs/dbraw/zinc/44/51/17/473445117.db2.gz BINBEMNIZBJOAO-KRWDZBQOSA-N 1 0 332.492 2.743 40 0 EFABRO COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490058 473445529 /nfs/dbraw/zinc/44/55/29/473445529.db2.gz KICXWZNZWHGSPQ-CJNGLKHVSA-N 1 0 325.474 2.901 40 0 EFABRO COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490055 473446918 /nfs/dbraw/zinc/44/69/18/473446918.db2.gz KICXWZNZWHGSPQ-CZUORRHYSA-N 1 0 325.474 2.901 40 0 EFABRO O=S1(=O)CCC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000096491610 473447647 /nfs/dbraw/zinc/44/76/47/473447647.db2.gz DRXMILQSJAJSOY-CYBMUJFWSA-N 1 0 326.849 2.531 40 0 EFABRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000096491698 473448222 /nfs/dbraw/zinc/44/82/22/473448222.db2.gz UNOBETPBVCWCRN-CVEARBPZSA-N 1 0 331.522 2.775 40 0 EFABRO COc1c(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c(C)nn1C ZINC000096494384 473450155 /nfs/dbraw/zinc/45/01/55/473450155.db2.gz CQWQQFPFHOKIFN-CQSZACIVSA-N 1 0 334.851 2.759 40 0 EFABRO C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096500861 473452929 /nfs/dbraw/zinc/45/29/29/473452929.db2.gz CPOZXWSTQPAXDA-LZQZEXGQSA-N 1 0 345.487 2.631 40 0 EFABRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cncc(Br)c1 ZINC000096500850 473453020 /nfs/dbraw/zinc/45/30/20/473453020.db2.gz XLSAJKLHCMIVRY-UHFFFAOYSA-N 1 0 329.242 2.648 40 0 EFABRO COC(=O)c1cccnc1N1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000096503044 473455188 /nfs/dbraw/zinc/45/51/88/473455188.db2.gz JWQFAFQMNVIHTM-AWEZNQCLSA-N 1 0 326.400 2.510 40 0 EFABRO Cc1cc(NC(=O)CN2CC[NH+](C[C@H]3C(C)=CCC[C@H]3C)CC2)no1 ZINC000191044168 473464774 /nfs/dbraw/zinc/46/47/74/473464774.db2.gz RCALACLHHJWBRW-WBVHZDCISA-N 1 0 346.475 2.532 40 0 EFABRO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)C1(N2CCOCC2)CCCC1 ZINC000125929985 473472887 /nfs/dbraw/zinc/47/28/87/473472887.db2.gz XBCBTHMRFMBSFR-HNNXBMFYSA-N 1 0 348.491 2.850 40 0 EFABRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)cc1 ZINC000168242208 473541925 /nfs/dbraw/zinc/54/19/25/473541925.db2.gz GFDTYSQSDBUMMJ-MNOVXSKESA-N 1 0 337.445 2.611 40 0 EFABRO Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000170615864 473567009 /nfs/dbraw/zinc/56/70/09/473567009.db2.gz LGMYJLYHTIZIQE-MRVWCRGKSA-N 1 0 329.366 2.876 40 0 EFABRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000178997039 473607765 /nfs/dbraw/zinc/60/77/65/473607765.db2.gz NBOQZLOIGZXPAW-UHFFFAOYSA-N 1 0 337.414 2.988 40 0 EFABRO O=C(OCc1nc(C2CC2)cs1)c1ccnc(-n2ccnc2)c1 ZINC000127442170 473613281 /nfs/dbraw/zinc/61/32/81/473613281.db2.gz FWIBHCHTMAOHPV-UHFFFAOYSA-N 1 0 326.381 2.958 40 0 EFABRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000192067572 473620168 /nfs/dbraw/zinc/62/01/68/473620168.db2.gz ZZLFYXWBAQBSSA-OALUTQOASA-N 1 0 327.428 2.561 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C(=O)N1CCOCC1 ZINC000127807059 473652148 /nfs/dbraw/zinc/65/21/48/473652148.db2.gz DAIWINBXEDQPJP-JTTJXQCZSA-N 1 0 334.435 2.545 40 0 EFABRO C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186496166 473682052 /nfs/dbraw/zinc/68/20/52/473682052.db2.gz SSOXHVQFKSTVGN-HNAYVOBHSA-N 1 0 349.438 2.689 40 0 EFABRO C[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000245565353 473720263 /nfs/dbraw/zinc/72/02/63/473720263.db2.gz WQNADXJXJMDERL-VDGAXYAQSA-N 1 0 344.499 2.749 40 0 EFABRO C[C@H]1CN(CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000192761979 473720497 /nfs/dbraw/zinc/72/04/97/473720497.db2.gz IUPQPMYXKPLPMG-HOTGVXAUSA-N 1 0 349.544 2.922 40 0 EFABRO CCOc1cncc(N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)n1 ZINC000192790030 473725745 /nfs/dbraw/zinc/72/57/45/473725745.db2.gz BESLGWRWAAJWLP-CQSZACIVSA-N 1 0 347.488 2.599 40 0 EFABRO Cc1cc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C)s1 ZINC000245860034 473752210 /nfs/dbraw/zinc/75/22/10/473752210.db2.gz IFHOXYBHQNZMTC-OBJOEFQTSA-N 1 0 339.505 2.522 40 0 EFABRO COC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194627713 473928915 /nfs/dbraw/zinc/92/89/15/473928915.db2.gz NAKSYSRMAGIPPI-HZPDHXFCSA-N 1 0 337.851 2.517 40 0 EFABRO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000194903747 473973382 /nfs/dbraw/zinc/97/33/82/473973382.db2.gz WPGMFVZJDANDSR-GOSISDBHSA-N 1 0 340.423 2.727 40 0 EFABRO CSC1(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000194911087 473973886 /nfs/dbraw/zinc/97/38/86/473973886.db2.gz DICCRBWKDWNAJZ-UHFFFAOYSA-N 1 0 348.516 2.631 40 0 EFABRO c1c[nH]c([C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048975 473997598 /nfs/dbraw/zinc/99/75/98/473997598.db2.gz WTTFEDYHWBMBPK-QZTJIDSGSA-N 1 0 325.460 2.748 40 0 EFABRO CC(C)n1ccnc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195274303 474045342 /nfs/dbraw/zinc/04/53/42/474045342.db2.gz YIVZZEJXWDTJSK-GOSISDBHSA-N 1 0 327.476 2.813 40 0 EFABRO O=c1[nH]c(N2CCC[N@H+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000195529740 474088981 /nfs/dbraw/zinc/08/89/81/474088981.db2.gz MFWGUIQCEIZOHY-UHFFFAOYSA-N 1 0 334.423 2.635 40 0 EFABRO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000195530709 474090189 /nfs/dbraw/zinc/09/01/89/474090189.db2.gz CDLCUTRHILIPMR-AZUAARDMSA-N 1 0 343.515 2.602 40 0 EFABRO COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000195530787 474090621 /nfs/dbraw/zinc/09/06/21/474090621.db2.gz SZJBLFAIOLAPSK-ZZCKCESHSA-N 1 0 344.455 2.594 40 0 EFABRO C[C@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000195543433 474091654 /nfs/dbraw/zinc/09/16/54/474091654.db2.gz WFXVYEMKVRTUTF-HNAYVOBHSA-N 1 0 346.471 2.509 40 0 EFABRO C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CSc3ccccc32)C[C@@H](C)O1 ZINC000195537295 474092066 /nfs/dbraw/zinc/09/20/66/474092066.db2.gz CQYLRDKBAXXDPX-INMHGKMJSA-N 1 0 348.512 2.882 40 0 EFABRO CCOc1ccccc1OC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000195543338 474092245 /nfs/dbraw/zinc/09/22/45/474092245.db2.gz QVGWSRQUDAKNBG-UHFFFAOYSA-N 1 0 346.471 2.974 40 0 EFABRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)n1 ZINC000195544106 474092976 /nfs/dbraw/zinc/09/29/76/474092976.db2.gz KGYYQIWCBVXLQE-ZFWWWQNUSA-N 1 0 330.457 2.526 40 0 EFABRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073931 474094335 /nfs/dbraw/zinc/09/43/35/474094335.db2.gz XKTKINUAEFXICG-BONVTDFDSA-N 1 0 340.217 2.997 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000195551368 474094515 /nfs/dbraw/zinc/09/45/15/474094515.db2.gz VNKZIBXZXQLWRI-QGZVFWFLSA-N 1 0 346.475 2.507 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 ZINC000195551660 474094991 /nfs/dbraw/zinc/09/49/91/474094991.db2.gz DTYQXVLCKIQUCK-JXFKEZNVSA-N 1 0 325.456 2.939 40 0 EFABRO COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c(Br)c1 ZINC000195550583 474095110 /nfs/dbraw/zinc/09/51/10/474095110.db2.gz LLWMQKBRMARSLQ-MNOVXSKESA-N 1 0 339.237 2.789 40 0 EFABRO CN(C)[C@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086575 474096931 /nfs/dbraw/zinc/09/69/31/474096931.db2.gz KHDXRSRINFFEAL-DLBZAZTESA-N 1 0 332.423 2.665 40 0 EFABRO C[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195565296 474097248 /nfs/dbraw/zinc/09/72/48/474097248.db2.gz LARVPSPTOGIXDO-FRRDWIJNSA-N 1 0 330.432 2.630 40 0 EFABRO O=S1(=O)CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000195568627 474097386 /nfs/dbraw/zinc/09/73/86/474097386.db2.gz RWPMSARSHJBIGH-XIRDDKMYSA-N 1 0 337.485 2.826 40 0 EFABRO Cn1ccc(NC(=O)Nc2cccc(OCC[NH+]3CCCCC3)c2)n1 ZINC000195568674 474097726 /nfs/dbraw/zinc/09/77/26/474097726.db2.gz KQOTWILBQXCRJM-UHFFFAOYSA-N 1 0 343.431 2.929 40 0 EFABRO C[C@H](C[NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000195573290 474098275 /nfs/dbraw/zinc/09/82/75/474098275.db2.gz FBMVFUQOZFDTMM-CQSZACIVSA-N 1 0 337.895 2.586 40 0 EFABRO C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000195570407 474098416 /nfs/dbraw/zinc/09/84/16/474098416.db2.gz MDMGCWPPFVJFQE-DZGCQCFKSA-N 1 0 339.430 2.879 40 0 EFABRO C[C@H](C[NH2+]CC1(S(C)(=O)=O)CCOCC1)c1cccc(Cl)c1 ZINC000195573151 474099150 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COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000225470868 474214954 /nfs/dbraw/zinc/21/49/54/474214954.db2.gz ZJDKDIRIUKRCFS-APWZRJJASA-N 1 0 342.414 2.844 40 0 EFABRO COc1cccc(C(NC(=O)[C@@H]2CC[NH2+]C2)c2cccc(OC)c2)c1 ZINC000225474477 474216293 /nfs/dbraw/zinc/21/62/93/474216293.db2.gz YOZOVEWRRDJTJS-MRXNPFEDSA-N 1 0 340.423 2.519 40 0 EFABRO [NH3+][C@@H](CC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476490 474216333 /nfs/dbraw/zinc/21/63/33/474216333.db2.gz XOUZHTTVFNLXDP-ROUUACIJSA-N 1 0 328.387 2.816 40 0 EFABRO CC(C)Cn1ncnc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000182609406 474217108 /nfs/dbraw/zinc/21/71/08/474217108.db2.gz HSSRUMARQPZLSF-UHFFFAOYSA-N 1 0 345.466 2.781 40 0 EFABRO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000247872868 474218268 /nfs/dbraw/zinc/21/82/68/474218268.db2.gz MJPOGOHNSAYGGM-CIRFHOKZSA-N 1 0 340.471 2.612 40 0 EFABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](CC4CCOCC4)C3)C2)n1 ZINC000247882679 474220922 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EFABRO CNC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000257296747 474938282 /nfs/dbraw/zinc/93/82/82/474938282.db2.gz REFUIYDXRQLQNZ-KRWDZBQOSA-N 1 0 349.438 2.816 40 0 EFABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000257295863 474938902 /nfs/dbraw/zinc/93/89/02/474938902.db2.gz RAEOUJPUXFFCJX-UHFFFAOYSA-N 1 0 340.814 2.914 40 0 EFABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1cccc(F)c1)C2 ZINC000257298637 474941345 /nfs/dbraw/zinc/94/13/45/474941345.db2.gz RMQWNAGDEOCACD-RMRDIRSESA-N 1 0 332.419 2.678 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257305479 474942185 /nfs/dbraw/zinc/94/21/85/474942185.db2.gz SQFXVMHXBLBVJK-INIZCTEOSA-N 1 0 331.391 2.630 40 0 EFABRO Cc1noc(C)c1-c1cccc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257302292 474942340 /nfs/dbraw/zinc/94/23/40/474942340.db2.gz SCIXYDLIRGOJEJ-SFHVURJKSA-N 1 0 343.427 2.906 40 0 EFABRO CC(C)n1nccc1C(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257308621 474945487 /nfs/dbraw/zinc/94/54/87/474945487.db2.gz TXKYEEAYAAEQMQ-KRWDZBQOSA-N 1 0 341.459 2.898 40 0 EFABRO Cn1cncc1C[N@@H+]1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257311115 474946692 /nfs/dbraw/zinc/94/66/92/474946692.db2.gz UHZQXDUSNLIXLJ-QGZVFWFLSA-N 1 0 336.439 2.659 40 0 EFABRO Cc1csc(Nc2nccnc2C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000257310835 474947185 /nfs/dbraw/zinc/94/71/85/474947185.db2.gz UGVFQHKFDCQKOK-AWEZNQCLSA-N 1 0 345.472 2.953 40 0 EFABRO O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1CCN(Cc1ccsc1)C2 ZINC000257313971 474948957 /nfs/dbraw/zinc/94/89/57/474948957.db2.gz UUWKEWXITBPPFX-CQSZACIVSA-N 1 0 330.457 2.617 40 0 EFABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cn3C)C2)cc1CO ZINC000257315668 474950308 /nfs/dbraw/zinc/95/03/08/474950308.db2.gz VCIOAGBTXLXHJT-INIZCTEOSA-N 1 0 329.444 2.609 40 0 EFABRO Cc1cccnc1Nc1nccnc1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000257318022 474951082 /nfs/dbraw/zinc/95/10/82/474951082.db2.gz VMDURURXXPJPPH-MRXNPFEDSA-N 1 0 339.443 2.892 40 0 EFABRO CNc1ncccc1C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257334386 474958970 /nfs/dbraw/zinc/95/89/70/474958970.db2.gz YFRDVBFLGCGSHA-HKUYNNGSSA-N 1 0 327.428 2.528 40 0 EFABRO Cc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CC[NH2+]CC2)n1 ZINC000257331392 474959881 /nfs/dbraw/zinc/95/98/81/474959881.db2.gz XSQZMNDDXWSDBY-UHFFFAOYSA-N 1 0 330.432 2.912 40 0 EFABRO Cn1cc(CN2CC[N@H+](C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343297 474965841 /nfs/dbraw/zinc/96/58/41/474965841.db2.gz ZSHSQAYDLQLHFS-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261602962 474989879 /nfs/dbraw/zinc/98/98/79/474989879.db2.gz ASMUWQXYQRCAKR-GEALJGNFSA-N 1 0 337.467 2.523 40 0 EFABRO O=C(NCc1nnc(C2CC2)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000333940273 476067495 /nfs/dbraw/zinc/06/74/95/476067495.db2.gz NXBOBYNTIYIOKF-UHFFFAOYSA-N 1 0 349.504 2.575 40 0 EFABRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000300421636 476156688 /nfs/dbraw/zinc/15/66/88/476156688.db2.gz AJAANCHXKKRTGO-HZMBPMFUSA-N 1 0 327.222 2.545 40 0 EFABRO OC1(C[NH2+]C2CCN(Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000363556623 476436423 /nfs/dbraw/zinc/43/64/23/476436423.db2.gz KRMHYKSASKWPAH-UHFFFAOYSA-N 1 0 336.479 2.771 40 0 EFABRO C[C@@H]1C[C@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000390835086 476806284 /nfs/dbraw/zinc/80/62/84/476806284.db2.gz CGRYFZYUAWPFHG-ZWNOBZJWSA-N 1 0 343.240 2.730 40 0 EFABRO C[NH+](C)CCCNC(=O)COc1ccc(C2SCCS2)cc1 ZINC000408567882 476968100 /nfs/dbraw/zinc/96/81/00/476968100.db2.gz GQNGPBWOAFMJDU-UHFFFAOYSA-N 1 0 340.514 2.612 40 0 EFABRO Cc1nc2ccccc2n1CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423997915 477252697 /nfs/dbraw/zinc/25/26/97/477252697.db2.gz LYSPCLMSEOQXDY-IBGZPJMESA-N 1 0 334.423 2.518 40 0 EFABRO COCC(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100285 479282592 /nfs/dbraw/zinc/28/25/92/479282592.db2.gz AKYUMNDQLQCHKT-IBGZPJMESA-N 1 0 334.435 2.819 40 0 EFABRO Cc1ncc(C[N@@H+]2CCC[C@]3(CN(Cc4cncs4)C3=O)C2)s1 ZINC000585099415 479283421 /nfs/dbraw/zinc/28/34/21/479283421.db2.gz ISXQCRQVGFATDM-MRXNPFEDSA-N 1 0 348.497 2.533 40 0 EFABRO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC000585104323 479285985 /nfs/dbraw/zinc/28/59/85/479285985.db2.gz YTCMXLBXGUAKQO-GOSISDBHSA-N 1 0 332.488 2.550 40 0 EFABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21)c1ccncc1 ZINC000585109827 479287316 /nfs/dbraw/zinc/28/73/16/479287316.db2.gz YDMJVFVXOYNGAV-SLFFLAALSA-N 1 0 333.435 2.992 40 0 EFABRO Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CC[N@H+]4CCC(C)C)cn2c1 ZINC000585108893 479287727 /nfs/dbraw/zinc/28/77/27/479287727.db2.gz CAEZOTRPUXVVRW-ROUUACIJSA-N 1 0 340.471 2.864 40 0 EFABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](C(C)C)C[C@@H]32)no1 ZINC000585109538 479288026 /nfs/dbraw/zinc/28/80/26/479288026.db2.gz AZKHIPUGPXMMMS-XYJFISCASA-N 1 0 325.412 2.892 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(Cc2scnc2C)Cc2ccnn21 ZINC000585112251 479288532 /nfs/dbraw/zinc/28/85/32/479288532.db2.gz LUJBHKAGZDGEJZ-MRXNPFEDSA-N 1 0 333.505 2.937 40 0 EFABRO O=C(NCC[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21)c1ccsc1 ZINC000585111830 479289507 /nfs/dbraw/zinc/28/95/07/479289507.db2.gz CMVKRXNXMDWETB-INIZCTEOSA-N 1 0 344.484 2.922 40 0 EFABRO Cc1ncsc1CN1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112400 479289662 /nfs/dbraw/zinc/28/96/62/479289662.db2.gz OXPYQCPNFDYFPK-MRXNPFEDSA-N 1 0 331.489 2.691 40 0 EFABRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000585141420 479298623 /nfs/dbraw/zinc/29/86/23/479298623.db2.gz VQEITNZTOBBQAE-HDICACEKSA-N 1 0 346.446 2.617 40 0 EFABRO CCCCOc1ncccc1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC000585141445 479298907 /nfs/dbraw/zinc/29/89/07/479298907.db2.gz UUPDETHZLWERSL-UHFFFAOYSA-N 1 0 330.432 2.817 40 0 EFABRO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585275691 479304523 /nfs/dbraw/zinc/30/45/23/479304523.db2.gz DKLDSCFNBSBLMT-GOSISDBHSA-N 1 0 331.391 2.594 40 0 EFABRO CO[C@@]1(COc2ccc(F)cc2)CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000585273124 479305261 /nfs/dbraw/zinc/30/52/61/479305261.db2.gz ASEYVYISYNDGPL-SFHVURJKSA-N 1 0 333.407 2.917 40 0 EFABRO CNc1ncccc1C[N@@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279503 479306814 /nfs/dbraw/zinc/30/68/14/479306814.db2.gz NHAALQPKOZPNBA-QAPCUYQASA-N 1 0 329.419 2.688 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)[nH]1 ZINC000585277843 479307140 /nfs/dbraw/zinc/30/71/40/479307140.db2.gz QAZZUKPHORINDD-IBGZPJMESA-N 1 0 329.444 2.605 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)[nH]1 ZINC000585278927 479307290 /nfs/dbraw/zinc/30/72/90/479307290.db2.gz IZGUOECRGIQZCR-CRAIPNDOSA-N 1 0 331.435 2.845 40 0 EFABRO O[C@@]1(COc2ccc(F)c(F)c2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585281122 479308002 /nfs/dbraw/zinc/30/80/02/479308002.db2.gz FFRLDMJNUJRECI-GOSISDBHSA-N 1 0 341.398 2.740 40 0 EFABRO CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2)[C@@H]1Cc1ccc(C)cc1 ZINC000585284964 479308486 /nfs/dbraw/zinc/30/84/86/479308486.db2.gz JIYHZFLCDKUYNJ-SFTDATJTSA-N 1 0 343.515 2.602 40 0 EFABRO Cc1nn(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c(C)c1C ZINC000585288998 479309469 /nfs/dbraw/zinc/30/94/69/479309469.db2.gz CRHYVMOTCFTSCX-XUVXKRRUSA-N 1 0 343.471 2.759 40 0 EFABRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289520 479309621 /nfs/dbraw/zinc/30/96/21/479309621.db2.gz QYVKSEPUDILXAV-XUVXKRRUSA-N 1 0 343.471 2.530 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCC2(O)CCCC2)[C@H]1O ZINC000585288719 479310140 /nfs/dbraw/zinc/31/01/40/479310140.db2.gz IRDUJUZLKMHAOQ-QXAKKESOSA-N 1 0 333.472 2.941 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCc2ccccn2)[C@H]1O ZINC000585289595 479310329 /nfs/dbraw/zinc/31/03/29/479310329.db2.gz RYMYIFICQHOJMP-DFQSSKMNSA-N 1 0 326.440 2.883 40 0 EFABRO CCCOc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292217 479310450 /nfs/dbraw/zinc/31/04/50/479310450.db2.gz GEKMFVUFZKVNBT-SFHLNBCPSA-N 1 0 341.451 2.797 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc2ncccc2c1 ZINC000585292986 479310580 /nfs/dbraw/zinc/31/05/80/479310580.db2.gz QOVPNSQFDJCKAR-HMXCVIKNSA-N 1 0 334.419 2.556 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000585292761 479311131 /nfs/dbraw/zinc/31/11/31/479311131.db2.gz NQPXMWRSPCGCEB-MISYRCLQSA-N 1 0 340.398 2.628 40 0 EFABRO Cc1cccc(C(=O)N2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)c1 ZINC000575404342 479439396 /nfs/dbraw/zinc/43/93/96/479439396.db2.gz AYFKSQQJXFJTJI-QGZVFWFLSA-N 1 0 328.456 2.712 40 0 EFABRO CC[C@@H](C(=O)NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000575608371 479451205 /nfs/dbraw/zinc/45/12/05/479451205.db2.gz SKAXBQSIIJANQU-RTBURBONSA-N 1 0 330.472 2.797 40 0 EFABRO CC(C)Oc1ccc(C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575607527 479451469 /nfs/dbraw/zinc/45/14/69/479451469.db2.gz NPQWVWFYIWDLOS-SFHVURJKSA-N 1 0 346.471 2.705 40 0 EFABRO CC(C)Oc1ccc(C(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000575607526 479451712 /nfs/dbraw/zinc/45/17/12/479451712.db2.gz NPQWVWFYIWDLOS-GOSISDBHSA-N 1 0 346.471 2.705 40 0 EFABRO O=C(Cc1csc2ccccc12)N1CCC([NH+]2CCOCC2)CC1 ZINC000628127153 479774599 /nfs/dbraw/zinc/77/45/99/479774599.db2.gz WRJQFAHKUUNOMN-UHFFFAOYSA-N 1 0 344.480 2.767 40 0 EFABRO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1ccc(Cl)cc1 ZINC000130197633 533934516 /nfs/dbraw/zinc/93/45/16/533934516.db2.gz MTUWOOPNVUNWTI-KBPBESRZSA-N 1 0 339.867 2.700 40 0 EFABRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2CCCO2)cc1Cl ZINC000096408508 521799644 /nfs/dbraw/zinc/79/96/44/521799644.db2.gz WMHCQBGTFFALIF-ZDUSSCGKSA-N 1 0 326.824 2.788 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cc(F)cc(F)c2)n1 ZINC000257340042 521934311 /nfs/dbraw/zinc/93/43/11/521934311.db2.gz ZEGMJULESLGYRM-INIZCTEOSA-N 1 0 346.381 2.794 40 0 EFABRO CCCn1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000183305467 528833282 /nfs/dbraw/zinc/83/32/82/528833282.db2.gz KXEQSBXDECBQND-HNNXBMFYSA-N 1 0 341.459 2.644 40 0 EFABRO CC(C)(C)SCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000225786226 535029696 /nfs/dbraw/zinc/02/96/96/535029696.db2.gz YFEFOZGQVUWBSH-UHFFFAOYSA-N 1 0 337.489 2.555 40 0 EFABRO C[NH+](C)CCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000038756090 535890192 /nfs/dbraw/zinc/89/01/92/535890192.db2.gz KDQCMSDPJWXGNI-UHFFFAOYSA-N 1 0 337.467 2.931 40 0 EFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cn1 ZINC000225940332 535906767 /nfs/dbraw/zinc/90/67/67/535906767.db2.gz MITSHIDGQGYURE-UHFFFAOYSA-N 1 0 325.412 2.692 40 0 EFABRO C[N@@H+]1CCC[C@H](c2cncc(C(=O)NCc3ccccc3Cl)n2)C1 ZINC000257211255 536388020 /nfs/dbraw/zinc/38/80/20/536388020.db2.gz BYDXABUNGSLVNS-AWEZNQCLSA-N 1 0 344.846 2.869 40 0 EFABRO COC[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048812 536680157 /nfs/dbraw/zinc/68/01/57/536680157.db2.gz MANRXEBQSVJHMS-CEXWTWQISA-N 1 0 345.464 2.526 40 0 EFABRO CO[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@]12CCCO2 ZINC000257273646 536767516 /nfs/dbraw/zinc/76/75/16/536767516.db2.gz NHOAQZZYPZOSEI-ICSRJNTNSA-N 1 0 339.439 2.914 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCc2ccccc2F)cc1 ZINC000257230825 536944780 /nfs/dbraw/zinc/94/47/80/536944780.db2.gz GEBZCOIHAOFOTO-LJQANCHMSA-N 1 0 342.414 2.940 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2cccc(F)c2)cc1 ZINC000257264795 536945162 /nfs/dbraw/zinc/94/51/62/536945162.db2.gz LWBACSJVXLLRIE-GOSISDBHSA-N 1 0 328.387 2.550 40 0 EFABRO [NH3+][C@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCCC3(F)F)cc2C1 ZINC000333387054 545877559 /nfs/dbraw/zinc/87/75/59/545877559.db2.gz WWWZRRSJZXWMRB-STQMWFEESA-N 1 0 338.402 2.845 40 0 EFABRO CCn1nncc1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087351 546371530 /nfs/dbraw/zinc/37/15/30/546371530.db2.gz SIXQNRPVUQMNGQ-YSIASYRMSA-N 1 0 339.487 2.688 40 0 EFABRO OCC1([NH2+]Cc2cccc(OC3CC3)c2F)Cc2ccccc2C1 ZINC000657366577 547132647 /nfs/dbraw/zinc/13/26/47/547132647.db2.gz NHDRAYVLSVQDHP-UHFFFAOYSA-N 1 0 327.399 2.986 40 0 EFABRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000205394250 563560376 /nfs/dbraw/zinc/56/03/76/563560376.db2.gz CFEDBTFJOMXERG-SYJLOODJSA-N 1 0 336.501 2.597 40 0 EFABRO C[C@@H](C[NH2+][C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000225583146 564149807 /nfs/dbraw/zinc/14/98/07/564149807.db2.gz STQGWJWPAJFOHU-JKSUJKDBSA-N 1 0 349.438 2.988 40 0 EFABRO C[NH+]1CCC(Nc2ncncc2-c2nc(-c3ccsc3)no2)CC1 ZINC000225580172 568423134 /nfs/dbraw/zinc/42/31/34/568423134.db2.gz KNQLPROALRGDMB-UHFFFAOYSA-N 1 0 342.428 2.761 40 0 EFABRO CCCC[N@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)Cc2ccccc2)[C@@H]1CO ZINC001772595107 1249155212 /nfs/dbraw/zinc/15/52/12/1249155212.db2.gz YEJGGFMDVIJUCY-VAMGGRTRSA-N 1 0 346.515 2.807 40 0 EFABRO CCCC[N@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)c2ccccc2)[C@@H]1CO ZINC001772595127 1249156670 /nfs/dbraw/zinc/15/66/70/1249156670.db2.gz ZVCGFFBNJMIWHK-BHIYHBOVSA-N 1 0 332.488 2.878 40 0 EFABRO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2C(c2ccc3c(c2)OCO3)[NH2+]1 ZINC001560406083 1415282838 /nfs/dbraw/zinc/28/28/38/1415282838.db2.gz LWRCRRLURTUNCL-OAHLLOKOSA-N 1 0 349.366 2.512 40 0 EFABRO O=C(C[NH2+]Cc1cccc2[nH]ccc21)N1CCN(c2ccccc2)CC1 ZINC000237945356 729671703 /nfs/dbraw/zinc/67/17/03/729671703.db2.gz OJDBWBMQCIXKMP-UHFFFAOYSA-N 1 0 348.450 2.606 40 0 EFABRO CC(C)Oc1ccc(C[NH2+]CC(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000027666637 1099445725 /nfs/dbraw/zinc/44/57/25/1099445725.db2.gz XQTXPRFMPBUCGP-INIZCTEOSA-N 1 0 334.460 2.637 40 0 EFABRO Cc1ccccc1NC(=O)CC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000028285942 1099451457 /nfs/dbraw/zinc/45/14/57/1099451457.db2.gz KVSKNBQTKPEUCB-HNNXBMFYSA-N 1 0 326.396 2.753 40 0 EFABRO C[NH+](C)CCN(C(=O)Nc1ccccc1Cl)C1CCOCC1 ZINC000675019305 1099650522 /nfs/dbraw/zinc/65/05/22/1099650522.db2.gz MFJJQLLTDWDNAV-UHFFFAOYSA-N 1 0 325.840 2.915 40 0 EFABRO O=C(Cc1ccsc1)N(CC[NH+]1CCCCC1)C1CCOCC1 ZINC000675022660 1099657023 /nfs/dbraw/zinc/65/70/23/1099657023.db2.gz RDLBBQUJVBKMQT-UHFFFAOYSA-N 1 0 336.501 2.784 40 0 EFABRO O=C(CCc1ccccc1)N(CC[NH+]1CCCC1)C1CCOCC1 ZINC000675022440 1099668084 /nfs/dbraw/zinc/66/80/84/1099668084.db2.gz OHLBQZCFUDBMMQ-UHFFFAOYSA-N 1 0 330.472 2.723 40 0 EFABRO COc1ccc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)c(C)c1 ZINC000897892785 1106133559 /nfs/dbraw/zinc/13/35/59/1106133559.db2.gz CDQGHZGXNKIJPA-UHFFFAOYSA-N 1 0 346.471 2.655 40 0 EFABRO c1cnn(CCCO[C@H]2C[N@H+](Cc3cccs3)[C@@H]3CCCO[C@@H]32)c1 ZINC000097953594 219064755 /nfs/dbraw/zinc/06/47/55/219064755.db2.gz QYPZQDQUWPAWIM-SQNIBIBYSA-N 1 0 347.484 2.783 40 0 EFABRO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc4c(c3)OCO4)O2)o1 ZINC000097953581 219065033 /nfs/dbraw/zinc/06/50/33/219065033.db2.gz HXEGTICJPXRZFY-FMKPAKJESA-N 1 0 343.383 2.601 40 0 EFABRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000004429624 210192521 /nfs/dbraw/zinc/19/25/21/210192521.db2.gz VMXCZTWKHLYJMM-ZHALLVOQSA-N 1 0 330.472 2.577 40 0 EFABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cncc(F)c1 ZINC000132472278 529970848 /nfs/dbraw/zinc/97/08/48/529970848.db2.gz FYDBFKMIIFDANU-MRXNPFEDSA-N 1 0 327.403 2.815 40 0 EFABRO Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCC[NH+](C)C)C2=O)cc1 ZINC000102305264 219193568 /nfs/dbraw/zinc/19/35/68/219193568.db2.gz YBRUUQYWOHKPTL-XMHGGMMESA-N 1 0 349.434 2.674 40 0 EFABRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(SC)cc2)c1 ZINC000066988942 215101438 /nfs/dbraw/zinc/10/14/38/215101438.db2.gz XJXHCCZXXGTSAD-UHFFFAOYSA-N 1 0 336.482 2.606 40 0 EFABRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)c(F)c2)c1 ZINC000066988790 215101552 /nfs/dbraw/zinc/10/15/52/215101552.db2.gz QLSFODCVRZJWOW-UHFFFAOYSA-N 1 0 342.823 2.677 40 0 EFABRO COc1ccc(C[NH2+][C@H]2C[C@@H](Cc3cc(CCO)on3)C2(C)C)cc1 ZINC000067889746 215241877 /nfs/dbraw/zinc/24/18/77/215241877.db2.gz NVHHTQFCDBUEGK-BEFAXECRSA-N 1 0 344.455 2.965 40 0 biogenic,in-vitro EFABRO C[NH+](C)[C@H](CNc1cncc(-n2cccn2)n1)c1cccc(F)c1 ZINC000068659159 215324443 /nfs/dbraw/zinc/32/44/43/215324443.db2.gz HMXZEIPTIKFHNK-OAHLLOKOSA-N 1 0 326.379 2.516 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040488198 213317960 /nfs/dbraw/zinc/31/79/60/213317960.db2.gz OILCYJUXEGWKIU-FQEVSTJZSA-N 1 0 348.450 2.834 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040488199 213317500 /nfs/dbraw/zinc/31/75/00/213317500.db2.gz OILCYJUXEGWKIU-HXUWFJFHSA-N 1 0 348.450 2.834 40 0 EFABRO Fc1cnc(N2CCOC3(CC[NH+](Cc4ccsc4)CC3)C2)nc1 ZINC000096049005 283035110 /nfs/dbraw/zinc/03/51/10/283035110.db2.gz UNLMKLFRKBIXEE-UHFFFAOYSA-N 1 0 348.447 2.549 40 0 EFABRO CCNc1cc(NCCNC(=O)c2c[nH]c3ccccc32)nc(C)[nH+]1 ZINC000038670680 213218652 /nfs/dbraw/zinc/21/86/52/213218652.db2.gz KODQKOOMYHMWCM-UHFFFAOYSA-N 1 0 338.415 2.540 40 0 EFABRO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)n1cnc2ccccc21 ZINC000036834366 213121066 /nfs/dbraw/zinc/12/10/66/213121066.db2.gz RRRSWDWXEDUWQA-OAHLLOKOSA-N 1 0 336.439 2.975 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000036741277 213116339 /nfs/dbraw/zinc/11/63/39/213116339.db2.gz DWRRNDHXFIIYEN-ICSRJNTNSA-N 1 0 327.424 2.712 40 0 EFABRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000036734365 213115217 /nfs/dbraw/zinc/11/52/17/213115217.db2.gz JNIBHYAJTCUVJN-HOTGVXAUSA-N 1 0 336.501 2.896 40 0 EFABRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCC(N)=O ZINC000036612899 213101377 /nfs/dbraw/zinc/10/13/77/213101377.db2.gz XTWZSUUJAGBOSX-AWEZNQCLSA-N 1 0 328.412 2.800 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 ZINC000187263961 236162026 /nfs/dbraw/zinc/16/20/26/236162026.db2.gz VPFLNZXZNNKYPO-LJQANCHMSA-N 1 0 345.487 2.849 40 0 EFABRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1c(F)cccc1Cl ZINC000187267151 236163617 /nfs/dbraw/zinc/16/36/17/236163617.db2.gz IFUKSZMVNKRJKS-LBPRGKRZSA-N 1 0 343.830 2.562 40 0 EFABRO Cc1cccc(COc2ccc(NC(=O)[C@H]3C[NH2+]CCO3)c(C)c2)c1 ZINC000187676044 236274265 /nfs/dbraw/zinc/27/42/65/236274265.db2.gz JJVZWDVAVHVOOK-LJQANCHMSA-N 1 0 340.423 2.809 40 0 EFABRO O=C(Cc1ccc(F)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928412 215723838 /nfs/dbraw/zinc/72/38/38/215723838.db2.gz APOAHAUHZJKJAN-UHFFFAOYSA-N 1 0 327.403 2.796 40 0 EFABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000035425031 213027254 /nfs/dbraw/zinc/02/72/54/213027254.db2.gz UWDRKRFSULGYRT-HNNXBMFYSA-N 1 0 344.415 2.704 40 0 biogenic,in-vitro EFABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000035425021 213027112 /nfs/dbraw/zinc/02/71/12/213027112.db2.gz MEYUKPWJHGXXSG-AWEZNQCLSA-N 1 0 332.404 2.702 40 0 biogenic,in-vitro EFABRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000035075010 213007420 /nfs/dbraw/zinc/00/74/20/213007420.db2.gz UUJWJBPJLSKMCI-SJORKVTESA-N 1 0 349.471 2.825 40 0 EFABRO Cn1cncc1C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000189577825 237042209 /nfs/dbraw/zinc/04/22/09/237042209.db2.gz VSHKJQKJRDETTE-UHFFFAOYSA-N 1 0 342.443 2.961 40 0 EFABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000072322074 216150360 /nfs/dbraw/zinc/15/03/60/216150360.db2.gz YDASEVMKTAFCKQ-SFHVURJKSA-N 1 0 344.434 2.683 40 0 biogenic,in-vitro EFABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000072361796 216166785 /nfs/dbraw/zinc/16/67/85/216166785.db2.gz YLFDLZVFZFXKBM-OAHLLOKOSA-N 1 0 327.432 2.749 40 0 EFABRO Cc1nc2cc(C3CCOCC3)nn2c(N[C@@H](C)C[NH+](C)C)c1C ZINC000072337424 216157163 /nfs/dbraw/zinc/15/71/63/216157163.db2.gz GTHMFKCAVMFPHJ-LBPRGKRZSA-N 1 0 331.464 2.602 40 0 EFABRO Cc1sc2c([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)nc(C)n2c1C ZINC000072351269 216162334 /nfs/dbraw/zinc/16/23/34/216162334.db2.gz YOIMWYFOVSNRNJ-CQSZACIVSA-N 1 0 334.489 2.589 40 0 EFABRO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072353678 216162703 /nfs/dbraw/zinc/16/27/03/216162703.db2.gz DWWWKJKISCLECO-INIZCTEOSA-N 1 0 348.454 2.960 40 0 EFABRO Cc1cc(CCC(=O)Nc2nncs2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360562 216167687 /nfs/dbraw/zinc/16/76/87/216167687.db2.gz LAJRBETZWGHTIK-CQSZACIVSA-N 1 0 331.445 2.580 40 0 EFABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2C)n1 ZINC000072355510 216164476 /nfs/dbraw/zinc/16/44/76/216164476.db2.gz HNERAXXHPDBCMU-GOSISDBHSA-N 1 0 336.443 2.955 40 0 EFABRO C[NH2+]CC(=O)N1CCC(c2nc(C)cc(Oc3ccccc3)n2)CC1 ZINC000072363316 216169839 /nfs/dbraw/zinc/16/98/39/216169839.db2.gz VLFHZLYSSLDBTH-UHFFFAOYSA-N 1 0 340.427 2.503 40 0 EFABRO c1ccc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C2CCOCC2)nc1 ZINC000072363638 216170365 /nfs/dbraw/zinc/17/03/65/216170365.db2.gz FRMYPSHFDLBDSV-HNNXBMFYSA-N 1 0 325.416 2.931 40 0 EFABRO NC(=O)CCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072360446 216167958 /nfs/dbraw/zinc/16/79/58/216167958.db2.gz HDIWLCICVZEBJR-SFHVURJKSA-N 1 0 327.403 2.976 40 0 EFABRO Cc1nccc(C2(C)CCN(C(=O)[C@]3(C)CCCC[N@H+]3C)CC2)n1 ZINC000072367338 216174951 /nfs/dbraw/zinc/17/49/51/216174951.db2.gz BFSHSFWPKRWPTD-IBGZPJMESA-N 1 0 330.476 2.540 40 0 EFABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389994 216189504 /nfs/dbraw/zinc/18/95/04/216189504.db2.gz CPMQRLNKUJFRME-OAHLLOKOSA-N 1 0 338.415 2.553 40 0 EFABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2nccnc21 ZINC000072393837 216192008 /nfs/dbraw/zinc/19/20/08/216192008.db2.gz VOTVNDFRZFIFDE-AWEZNQCLSA-N 1 0 325.391 2.882 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000130217967 223133958 /nfs/dbraw/zinc/13/39/58/223133958.db2.gz NRQJHCQBBSRBPP-TZMCWYRMSA-N 1 0 336.398 2.725 40 0 EFABRO Cn1ncc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131592006 223248471 /nfs/dbraw/zinc/24/84/71/223248471.db2.gz ACAHLIPSWKREED-NSHDSACASA-N 1 0 328.844 2.563 40 0 EFABRO C[C@@H](O)C[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022075787 238748820 /nfs/dbraw/zinc/74/88/20/238748820.db2.gz VMJIFPQUNNAEHM-OAHLLOKOSA-N 1 0 348.874 2.979 40 0 EFABRO COCCN1CCCC2(CC[NH+](Cc3ccccc3OC)CC2)C1=O ZINC000108533816 219902157 /nfs/dbraw/zinc/90/21/57/219902157.db2.gz BHUJYGZYQMWPBM-UHFFFAOYSA-N 1 0 346.471 2.546 40 0 EFABRO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)n1ccnc1 ZINC000073102585 216349271 /nfs/dbraw/zinc/34/92/71/216349271.db2.gz UMLIBBIDIPRTTC-AWEZNQCLSA-N 1 0 325.416 2.599 40 0 EFABRO Clc1sc(C[NH2+]CCCn2ccnn2)cc1Br ZINC000191696170 239252702 /nfs/dbraw/zinc/25/27/02/239252702.db2.gz QTDJLFYWIWPVML-UHFFFAOYSA-N 1 0 335.658 2.935 40 0 EFABRO Cc1cc(N(C)C2CC[NH+](CCc3ccccn3)CC2)nc(C)n1 ZINC000132125800 223303367 /nfs/dbraw/zinc/30/33/67/223303367.db2.gz RMYQZBKQZKVSJA-UHFFFAOYSA-N 1 0 325.460 2.632 40 0 EFABRO COC(=O)C1CCC([NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000192445635 283755141 /nfs/dbraw/zinc/75/51/41/283755141.db2.gz JNLYACQEEUKCGO-GIOUXUJVSA-N 1 0 330.428 2.502 40 0 EFABRO Brc1cc(C[NH2+]CCc2ccccn2)cc2c1OCO2 ZINC000023674713 212389224 /nfs/dbraw/zinc/38/92/24/212389224.db2.gz YGKXMBWYNJCZSG-UHFFFAOYSA-N 1 0 335.201 2.905 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc21)c1cccs1 ZINC000022687817 212317358 /nfs/dbraw/zinc/31/73/58/212317358.db2.gz BRHGCOIADKXFEJ-HNNXBMFYSA-N 1 0 341.436 2.622 40 0 EFABRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCCCCF)CC1 ZINC000252497684 240307260 /nfs/dbraw/zinc/30/72/60/240307260.db2.gz QMYKBHQXNZAMOU-HNNXBMFYSA-N 1 0 339.430 2.910 40 0 EFABRO FC(F)(F)CCN1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000195556416 241004441 /nfs/dbraw/zinc/00/44/41/241004441.db2.gz CUZUANDLKFMEMY-OAHLLOKOSA-N 1 0 328.378 2.997 40 0 EFABRO Cc1ccc(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1F ZINC000022038311 212273207 /nfs/dbraw/zinc/27/32/07/212273207.db2.gz XEJRWXMQAKGFLB-SFHVURJKSA-N 1 0 329.419 2.965 40 0 EFABRO COC[C@@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048738 241294082 /nfs/dbraw/zinc/29/40/82/241294082.db2.gz MANRXEBQSVJHMS-QYZOEREBSA-N 1 0 345.464 2.526 40 0 EFABRO CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000021937888 212265696 /nfs/dbraw/zinc/26/56/96/212265696.db2.gz VSPYHYNZJMYBFA-UHFFFAOYSA-N 1 0 345.487 2.659 40 0 EFABRO O=C1CCCN1c1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225434923 241859744 /nfs/dbraw/zinc/85/97/44/241859744.db2.gz PVNITKYVLOHKPU-UHFFFAOYSA-N 1 0 346.500 2.586 40 0 EFABRO O=C(Nc1cnn(-c2ccccc2Br)c1)C1CC[NH2+]CC1 ZINC000225485239 241892001 /nfs/dbraw/zinc/89/20/01/241892001.db2.gz JLZJTRWIQGTCFX-UHFFFAOYSA-N 1 0 349.232 2.573 40 0 EFABRO Cc1cc(C)cc([C@@H](O)CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000225760493 242023920 /nfs/dbraw/zinc/02/39/20/242023920.db2.gz OLFVUAXDZIFSKT-ACBHZAAOSA-N 1 0 345.487 2.653 40 0 EFABRO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1CC[NH+](C)CC1 ZINC000226331015 242098480 /nfs/dbraw/zinc/09/84/80/242098480.db2.gz XIFZQFYBCVUTBA-UHFFFAOYSA-N 1 0 342.418 2.720 40 0 EFABRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000230104504 242231042 /nfs/dbraw/zinc/23/10/42/242231042.db2.gz LNUPTHQNWBYSRS-DLBZAZTESA-N 1 0 338.407 2.742 40 0 EFABRO CN1Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2C1=O ZINC000230104109 242231561 /nfs/dbraw/zinc/23/15/61/242231561.db2.gz LQCSGYIDAUROJJ-RBUKOAKNSA-N 1 0 349.434 2.556 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCC3)C[C@@H]21 ZINC000096043493 284011357 /nfs/dbraw/zinc/01/13/57/284011357.db2.gz MNTNWQFPULQGSD-BRWVUGGUSA-N 1 0 334.485 2.644 40 0 EFABRO CCc1noc(C2CCC([NH2+]Cc3ncnn3C(C)(C)C)CC2)n1 ZINC000242389272 243018901 /nfs/dbraw/zinc/01/89/01/243018901.db2.gz ZVSNOXODNHZKNT-UHFFFAOYSA-N 1 0 332.452 2.795 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCO2)C1 ZINC000245224665 243099320 /nfs/dbraw/zinc/09/93/20/243099320.db2.gz AYKMYCWTZDMWQL-GPMSIDNRSA-N 1 0 330.472 2.960 40 0 EFABRO C[C@@H]1[C@@H](CC(=O)N2CCCC2)COCC[N@@H+]1Cc1cccc(F)c1 ZINC000249701217 243707696 /nfs/dbraw/zinc/70/76/96/243707696.db2.gz YGEZLTZGACGQGD-WBVHZDCISA-N 1 0 334.435 2.675 40 0 EFABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCn3ccnc3)cc2)C1 ZINC000020456315 212131853 /nfs/dbraw/zinc/13/18/53/212131853.db2.gz IHXDDBTYLYCPTA-QGZVFWFLSA-N 1 0 340.471 2.935 40 0 EFABRO COc1ccc(CC[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1OC ZINC000256054159 244067214 /nfs/dbraw/zinc/06/72/14/244067214.db2.gz VDVFXGWUXRDAQU-UHFFFAOYSA-N 1 0 343.349 2.788 40 0 EFABRO O=C(c1cncs1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257205282 244132325 /nfs/dbraw/zinc/13/23/25/244132325.db2.gz AYJKTLBRGHKVDG-OAHLLOKOSA-N 1 0 343.452 2.701 40 0 EFABRO CC(=O)N1CCC[C@@H]1c1cncc(C[N@H+](C)CCc2ccccc2)n1 ZINC000257200641 244116829 /nfs/dbraw/zinc/11/68/29/244116829.db2.gz AEEOLYFEDKQPHY-HXUWFJFHSA-N 1 0 338.455 2.835 40 0 EFABRO CN(C)c1nc([C@@H]2CCC[N@H+](Cc3cnccn3)C2)cn2cccc12 ZINC000257203730 244128460 /nfs/dbraw/zinc/12/84/60/244128460.db2.gz ARKCWYNJYBIRCQ-OAHLLOKOSA-N 1 0 336.443 2.570 40 0 EFABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257207850 244141164 /nfs/dbraw/zinc/14/11/64/244141164.db2.gz BJPKCWMXBYVKJZ-INIZCTEOSA-N 1 0 338.459 2.768 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257212501 244153729 /nfs/dbraw/zinc/15/37/29/244153729.db2.gz CDSJSJRLMWENSN-HNNXBMFYSA-N 1 0 329.448 2.747 40 0 EFABRO O=C(c1ccncc1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257213778 244161087 /nfs/dbraw/zinc/16/10/87/244161087.db2.gz CJAZQASPWCTZFG-GOSISDBHSA-N 1 0 337.423 2.640 40 0 EFABRO CCc1cc(C[C@H]2CCC[N@H+](CC(=O)NC)CC2)c2cnccc2n1 ZINC000257222447 244189921 /nfs/dbraw/zinc/18/99/21/244189921.db2.gz DTIYCXLKCNYNLT-HNNXBMFYSA-N 1 0 340.471 2.583 40 0 EFABRO CC(=O)N1CC2(CC[NH+](Cc3ccccc3C)CC2)C[C@H](O)C1(C)C ZINC000257223000 244192900 /nfs/dbraw/zinc/19/29/00/244192900.db2.gz DVLVEZVFSHSPBP-IBGZPJMESA-N 1 0 344.499 2.969 40 0 EFABRO c1ccc2c(C[N@H+]3CCOC[C@H](Cc4cnccn4)C3)ccnc2c1 ZINC000257230121 244209594 /nfs/dbraw/zinc/20/95/94/244209594.db2.gz GAXWDSWTKNCNKW-MRXNPFEDSA-N 1 0 334.423 2.716 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](N(C)c3cccnn3)CC[C@@H]2C1 ZINC000257231631 244215520 /nfs/dbraw/zinc/21/55/20/244215520.db2.gz GHOHTXFQJUXSBS-QLFBSQMISA-N 1 0 329.473 2.588 40 0 EFABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCc2ccncc2)c1 ZINC000257219266 244178947 /nfs/dbraw/zinc/17/89/47/244178947.db2.gz DGFDDUSYXWDEBE-UHFFFAOYSA-N 1 0 332.407 2.575 40 0 EFABRO C[N@@H+]1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244247982 /nfs/dbraw/zinc/24/79/82/244247982.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 1 0 335.455 2.564 40 0 EFABRO COCC(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257243998 244251654 /nfs/dbraw/zinc/25/16/54/244251654.db2.gz IJLLHVQUWRROSK-HZKQSDJQSA-N 1 0 342.483 2.766 40 0 EFABRO CC1(c2ncc(Cl)s2)CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257239606 244237632 /nfs/dbraw/zinc/23/76/32/244237632.db2.gz HQCIHLVHDQCJPS-UHFFFAOYSA-N 1 0 330.881 2.692 40 0 EFABRO Cn1cc(C[N@@H+]2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cn1 ZINC000257240641 244242927 /nfs/dbraw/zinc/24/29/27/244242927.db2.gz HUMLJQPVSOEDJM-BJLQDIEVSA-N 1 0 338.455 2.795 40 0 EFABRO Cc1ncc(CNC(=O)Cc2ccccc2F)c([C@H]2CCC[N@H+]2C)n1 ZINC000257253449 244276743 /nfs/dbraw/zinc/27/67/43/244276743.db2.gz JYYXAQRPDBCQCW-QGZVFWFLSA-N 1 0 342.418 2.550 40 0 EFABRO CO[C@H]1C[N@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@@]12CCCO2 ZINC000257260175 244292959 /nfs/dbraw/zinc/29/29/59/244292959.db2.gz LBQPAFXLFGMPEB-ICSRJNTNSA-N 1 0 344.455 2.583 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)c1 ZINC000257265550 244360419 /nfs/dbraw/zinc/36/04/19/244360419.db2.gz LZDIOUFWUCNEIQ-QGZVFWFLSA-N 1 0 344.415 2.757 40 0 EFABRO CCCOC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257268394 244365780 /nfs/dbraw/zinc/36/57/80/244365780.db2.gz MLMCNGWZHSVYLJ-SFHVURJKSA-N 1 0 331.460 2.880 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3cccc(OC)c3)CCO2)c1 ZINC000257268166 244365903 /nfs/dbraw/zinc/36/59/03/244365903.db2.gz MKMXLSLMGFHXPE-GOSISDBHSA-N 1 0 341.411 2.654 40 0 EFABRO c1ccc(Nc2cc(CC3CC[NH+]([C@@H]4CCOC4)CC3)ncn2)nc1 ZINC000257261319 244346857 /nfs/dbraw/zinc/34/68/57/244346857.db2.gz LGTAZRRHIYMDSA-QGZVFWFLSA-N 1 0 339.443 2.659 40 0 EFABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257272328 244382480 /nfs/dbraw/zinc/38/24/80/244382480.db2.gz NCADJAOGMZTVGB-QGZVFWFLSA-N 1 0 327.428 2.536 40 0 EFABRO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH2+]CC2 ZINC000257279454 244399941 /nfs/dbraw/zinc/39/99/41/244399941.db2.gz OGTDNPHQMPBLKK-UHFFFAOYSA-N 1 0 342.892 2.883 40 0 EFABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](C)CC3)nc2C)cc1 ZINC000019763853 212063111 /nfs/dbraw/zinc/06/31/11/212063111.db2.gz ZTJKJUJBUHKBPK-UHFFFAOYSA-N 1 0 340.427 2.855 40 0 EFABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000019593523 212049942 /nfs/dbraw/zinc/04/99/42/212049942.db2.gz CDUTVLAGOPRODB-MRXNPFEDSA-N 1 0 349.475 2.811 40 0 EFABRO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019578074 212046945 /nfs/dbraw/zinc/04/69/45/212046945.db2.gz IZMPISYIFYCJSR-DOMZBBRYSA-N 1 0 340.899 2.590 40 0 EFABRO Cc1nn(C)cc1C[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019583772 212046800 /nfs/dbraw/zinc/04/68/00/212046800.db2.gz PUXCUCUPSLMQAW-UHFFFAOYSA-N 1 0 338.415 2.553 40 0 EFABRO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019578079 212046901 /nfs/dbraw/zinc/04/69/01/212046901.db2.gz IZMPISYIFYCJSR-IUODEOHRSA-N 1 0 340.899 2.590 40 0 EFABRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000019581936 212047499 /nfs/dbraw/zinc/04/74/99/212047499.db2.gz AHMIVHPIAUIGEX-CYBMUJFWSA-N 1 0 348.472 2.673 40 0 EFABRO Cc1nn(C[C@H](C)C(=O)NCC[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000019578204 212047404 /nfs/dbraw/zinc/04/74/04/212047404.db2.gz JECUGYHXCDKRRI-ZDUSSCGKSA-N 1 0 340.899 2.638 40 0 EFABRO COc1ccccc1CN1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019570640 212044249 /nfs/dbraw/zinc/04/42/49/212044249.db2.gz VRTPOAGPMHAVGC-OAHLLOKOSA-N 1 0 338.455 2.511 40 0 EFABRO Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019577492 212045027 /nfs/dbraw/zinc/04/50/27/212045027.db2.gz DWMOUHMAZSZJOJ-WFASDCNBSA-N 1 0 340.899 2.905 40 0 EFABRO COc1ccc(C(=O)N2CCC[C@@H](c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC000019561858 212042446 /nfs/dbraw/zinc/04/24/46/212042446.db2.gz IGKRVAFDOHQOIC-CQSZACIVSA-N 1 0 336.395 2.986 40 0 EFABRO CC(C)OCCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000019450411 212028840 /nfs/dbraw/zinc/02/88/40/212028840.db2.gz RZPNIBMXSOHEKB-UHFFFAOYSA-N 1 0 325.416 2.696 40 0 EFABRO C[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000019457739 212030025 /nfs/dbraw/zinc/03/00/25/212030025.db2.gz CYQUFWHZCIXFPK-HZPDHXFCSA-N 1 0 328.460 2.615 40 0 EFABRO O[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372765 212023286 /nfs/dbraw/zinc/02/32/86/212023286.db2.gz MSWUIELLDOVATN-QHAWAJNXSA-N 1 0 340.442 2.688 40 0 EFABRO Fc1cccc(CN2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293893 212013006 /nfs/dbraw/zinc/01/30/06/212013006.db2.gz QHVLKCBFYHAIMJ-SFHVURJKSA-N 1 0 326.419 2.989 40 0 EFABRO Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)s1 ZINC000019217039 212005724 /nfs/dbraw/zinc/00/57/24/212005724.db2.gz USZAPNGIFBRJSP-OAHLLOKOSA-N 1 0 342.468 2.860 40 0 EFABRO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216613 212005197 /nfs/dbraw/zinc/00/51/97/212005197.db2.gz IXPVNGILTFEYSO-AWEZNQCLSA-N 1 0 325.416 2.901 40 0 EFABRO C[NH+]1CCC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000078578837 217079969 /nfs/dbraw/zinc/07/99/69/217079969.db2.gz WJXDKNWQWIEKGK-UHFFFAOYSA-N 1 0 346.452 2.851 40 0 EFABRO Cc1cc(CN2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)on1 ZINC000079096544 217191437 /nfs/dbraw/zinc/19/14/37/217191437.db2.gz NMNXPGWGVJZFTJ-UHFFFAOYSA-N 1 0 326.375 2.993 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2ccncc2)CCOCC1)c1ccccc1 ZINC000079096204 217191480 /nfs/dbraw/zinc/19/14/80/217191480.db2.gz KNRQSPWWQQAMAF-INIZCTEOSA-N 1 0 339.439 2.711 40 0 EFABRO Cn1cc(CCC[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cn1 ZINC000079097366 217191603 /nfs/dbraw/zinc/19/16/03/217191603.db2.gz OSBLBBJJMKEGQV-UHFFFAOYSA-N 1 0 340.471 2.589 40 0 EFABRO CS[C@@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096315 217192215 /nfs/dbraw/zinc/19/22/15/217192215.db2.gz NYXHOAVFJGWXBX-CABCVRRESA-N 1 0 336.501 2.754 40 0 EFABRO CC(=O)Nc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000079311495 217207701 /nfs/dbraw/zinc/20/77/01/217207701.db2.gz FXQHZWQVAZEMDO-HXUWFJFHSA-N 1 0 342.439 2.655 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000079336370 217211062 /nfs/dbraw/zinc/21/10/62/217211062.db2.gz KTOLOAJOHGGXSW-UHFFFAOYSA-N 1 0 348.450 2.923 40 0 EFABRO COc1ccc(C(C)(C)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000079354939 217213973 /nfs/dbraw/zinc/21/39/73/217213973.db2.gz PHMPVLISRQPOGY-AWEZNQCLSA-N 1 0 344.377 2.726 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000079391453 217219524 /nfs/dbraw/zinc/21/95/24/217219524.db2.gz VUYFTMASJWPWDS-GJZGRUSLSA-N 1 0 341.496 2.606 40 0 EFABRO CC(C)N(CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391837 217219542 /nfs/dbraw/zinc/21/95/42/217219542.db2.gz VQHMNCFCSIYECI-GOSISDBHSA-N 1 0 333.476 2.847 40 0 EFABRO CC(C)N(C(=O)OCc1ccccc1)C1CCC([NH2+]CCO)CC1 ZINC000079411194 217221772 /nfs/dbraw/zinc/22/17/72/217221772.db2.gz WTBOBBBWOOHGGV-UHFFFAOYSA-N 1 0 334.460 2.927 40 0 EFABRO [NH3+]CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391870 217218205 /nfs/dbraw/zinc/21/82/05/217218205.db2.gz DJUBMRPYFLJRPC-GOSISDBHSA-N 1 0 331.460 2.601 40 0 EFABRO CC(C)[N@H+](CCO)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391727 217218613 /nfs/dbraw/zinc/21/86/13/217218613.db2.gz XBJQBZOXZFLQJW-UHFFFAOYSA-N 1 0 334.460 2.927 40 0 EFABRO CCN(C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C(=O)OC(C)(C)C ZINC000079410190 217222179 /nfs/dbraw/zinc/22/21/79/217222179.db2.gz SXMZWXDNTFYWMU-CABCVRRESA-N 1 0 341.496 2.608 40 0 EFABRO CC(C)N(CC1CCN(CC[NH3+])CC1)C(=O)OCc1ccccc1 ZINC000079411716 217222293 /nfs/dbraw/zinc/22/22/93/217222293.db2.gz PBAIWENOFXDIPM-UHFFFAOYSA-N 1 0 333.476 2.704 40 0 EFABRO C[C@H]1CCc2onc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C1 ZINC000015726848 211845357 /nfs/dbraw/zinc/84/53/57/211845357.db2.gz AWYPAFUEDUBTQZ-AWEZNQCLSA-N 1 0 331.460 2.890 40 0 EFABRO COc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(F)nc2)CC1 ZINC000081278632 217378670 /nfs/dbraw/zinc/37/86/70/217378670.db2.gz FKFZVCQEMNCRNT-UHFFFAOYSA-N 1 0 343.402 2.624 40 0 EFABRO CCOc1ncc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1Cl ZINC000422627377 246408100 /nfs/dbraw/zinc/40/81/00/246408100.db2.gz ODECBXAMUKMSJO-CYBMUJFWSA-N 1 0 331.803 2.664 40 0 EFABRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377834 211359921 /nfs/dbraw/zinc/35/99/21/211359921.db2.gz XOOKMKTWIXOUPA-GXTWGEPZSA-N 1 0 328.250 2.921 40 0 EFABRO Cc1ccc2c(c1)CN(C(=O)Cc1ccsc1)[C@H](C[NH+](C)C)CO2 ZINC000012406617 211370181 /nfs/dbraw/zinc/37/01/81/211370181.db2.gz WAHZDHLWLRFXJU-QGZVFWFLSA-N 1 0 344.480 2.950 40 0 EFABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)C3CCCC3)CC2)cc1 ZINC000012326405 211349019 /nfs/dbraw/zinc/34/90/19/211349019.db2.gz XMWGUCSMXLAFEJ-UHFFFAOYSA-N 1 0 330.472 2.585 40 0 EFABRO COc1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)c1 ZINC000012292509 211335841 /nfs/dbraw/zinc/33/58/41/211335841.db2.gz WVACHMKWBZWKJU-IBGZPJMESA-N 1 0 345.414 2.851 40 0 EFABRO CCOC(=O)C1(Cc2cc(-c3ccc(OC)cc3)no2)CC[NH2+]CC1 ZINC000012275244 211334137 /nfs/dbraw/zinc/33/41/37/211334137.db2.gz ZNMXCKUQMDTOJN-UHFFFAOYSA-N 1 0 344.411 2.826 40 0 EFABRO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[NH2+]C1 ZINC000012275193 211333714 /nfs/dbraw/zinc/33/37/14/211333714.db2.gz SVCOSIIRXLUCBT-GOSISDBHSA-N 1 0 332.375 2.956 40 0 EFABRO Cc1n[nH]c(C)c1CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012196241 211317525 /nfs/dbraw/zinc/31/75/25/211317525.db2.gz OACQBGTYAVDCPU-UHFFFAOYSA-N 1 0 344.434 2.694 40 0 EFABRO C[C@@H](C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012185062 211312518 /nfs/dbraw/zinc/31/25/18/211312518.db2.gz GWGNBJHBMASGSZ-HNNXBMFYSA-N 1 0 338.455 2.532 40 0 EFABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181030 211311239 /nfs/dbraw/zinc/31/12/39/211311239.db2.gz XYHKPTLJDNZHQN-AUUYWEPGSA-N 1 0 328.456 2.894 40 0 EFABRO Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000012228267 211324983 /nfs/dbraw/zinc/32/49/83/211324983.db2.gz LWECJDOWUPPAGW-DOTOQJQBSA-N 1 0 328.456 2.836 40 0 EFABRO Cc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1 ZINC000012206245 211321286 /nfs/dbraw/zinc/32/12/86/211321286.db2.gz XKGJFKWYUHHBCW-UHFFFAOYSA-N 1 0 341.459 2.521 40 0 EFABRO C[C@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000012148643 211308273 /nfs/dbraw/zinc/30/82/73/211308273.db2.gz NNEGDVHHAAPLRP-HNNXBMFYSA-N 1 0 341.459 2.508 40 0 EFABRO O=c1c2ccccc2nnn1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012145963 211306657 /nfs/dbraw/zinc/30/66/57/211306657.db2.gz KMORJTBLCMNKQT-UHFFFAOYSA-N 1 0 338.386 2.768 40 0 EFABRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000011853297 211259349 /nfs/dbraw/zinc/25/93/49/211259349.db2.gz HRMNOAAPWKIESK-UHFFFAOYSA-N 1 0 329.488 2.895 40 0 EFABRO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)o1 ZINC000091685372 218047252 /nfs/dbraw/zinc/04/72/52/218047252.db2.gz IQFDRMJZJWQJEM-HNNXBMFYSA-N 1 0 343.427 2.980 40 0 EFABRO Cc1cc(F)ccc1C[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091921198 218089470 /nfs/dbraw/zinc/08/94/70/218089470.db2.gz IVSOHUQBXZQAJS-IYBDPMFKSA-N 1 0 348.462 2.982 40 0 EFABRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000092101603 218119910 /nfs/dbraw/zinc/11/99/10/218119910.db2.gz FSOBFVWJFOFZAS-QGZVFWFLSA-N 1 0 340.427 2.569 40 0 EFABRO COCC[N@H+]1[C@H](C)CN(Cc2cnc(-c3cccnc3)s2)C[C@@H]1C ZINC000093478814 218227367 /nfs/dbraw/zinc/22/73/67/218227367.db2.gz WAXWLPIEPVZGOU-GASCZTMLSA-N 1 0 346.500 2.746 40 0 EFABRO Cc1ccccc1C[n+]1ccc([C@@H](O)[C@H]2Cn3cccc3C2=O)cc1 ZINC000009498965 211091612 /nfs/dbraw/zinc/09/16/12/211091612.db2.gz AUWRCNIWUAIITK-UYAOXDASSA-N 1 0 333.411 2.678 40 0 EFABRO C[C@@H]1CCc2onc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2C1 ZINC000009227103 211054625 /nfs/dbraw/zinc/05/46/25/211054625.db2.gz PCMJQWQLPGJZJJ-CQSZACIVSA-N 1 0 331.460 2.890 40 0 EFABRO O=C1c2cccn2CC[C@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861924 211012974 /nfs/dbraw/zinc/01/29/74/211012974.db2.gz CEIQCDHCBWDJOZ-AZUAARDMSA-N 1 0 333.411 2.760 40 0 EFABRO Cc1ccc2c(CCNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c[nH]c2c1 ZINC000095405305 218341366 /nfs/dbraw/zinc/34/13/66/218341366.db2.gz BVSNAHDOELSNLB-SJORKVTESA-N 1 0 340.471 2.897 40 0 EFABRO Cc1c(C(=O)Nc2cccc3c2CCCC3)nnn1C1CC[NH2+]CC1 ZINC000095427942 218370026 /nfs/dbraw/zinc/37/00/26/218370026.db2.gz BCDTZOGJELHDKW-UHFFFAOYSA-N 1 0 339.443 2.642 40 0 EFABRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000095420719 218361669 /nfs/dbraw/zinc/36/16/69/218361669.db2.gz RWEVSHVYQSEIPQ-AWEZNQCLSA-N 1 0 344.480 2.934 40 0 EFABRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000095421326 218363076 /nfs/dbraw/zinc/36/30/76/218363076.db2.gz VSYUIROFCKOOBU-QMTHXVAHSA-N 1 0 327.306 2.759 40 0 EFABRO C[C@@H](NCc1c(Cl)cccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000095423467 218366097 /nfs/dbraw/zinc/36/60/97/218366097.db2.gz LGZNRORHJPWERO-CQSZACIVSA-N 1 0 345.878 2.733 40 0 EFABRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)C3CCOCC3)C2)cc(OC)c1 ZINC000095423682 218366328 /nfs/dbraw/zinc/36/63/28/218366328.db2.gz OBGZEGLFBODIIJ-YJBOKZPZSA-N 1 0 348.487 2.683 40 0 EFABRO O=C(c1ncncc1Cl)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000178610716 296307160 /nfs/dbraw/zinc/30/71/60/296307160.db2.gz ZTAYFVXRXRHLNY-ZDUSSCGKSA-N 1 0 328.803 2.755 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)o1 ZINC000096049229 218539180 /nfs/dbraw/zinc/53/91/80/218539180.db2.gz PXFXXBAWKLXYND-UHFFFAOYSA-N 1 0 340.423 2.986 40 0 EFABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccnc1-n1cccn1 ZINC000096403265 218750961 /nfs/dbraw/zinc/75/09/61/218750961.db2.gz YOQKDUPSIWDMPO-OAHLLOKOSA-N 1 0 329.448 2.508 40 0 EFABRO Cc1nn(CCO)c(C)c1C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000096403422 218752278 /nfs/dbraw/zinc/75/22/78/218752278.db2.gz LKWMITODVKOPSS-UHFFFAOYSA-N 1 0 326.444 2.614 40 0 EFABRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2Br)C1 ZINC000096483949 218860350 /nfs/dbraw/zinc/86/03/50/218860350.db2.gz IYPIYEINEILZCF-ZDUSSCGKSA-N 1 0 325.250 2.858 40 0 EFABRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096497165 218874618 /nfs/dbraw/zinc/87/46/18/218874618.db2.gz GTFWCIKQKQJFNL-HNNXBMFYSA-N 1 0 336.480 2.569 40 0 EFABRO CSc1cncc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000132299428 533067167 /nfs/dbraw/zinc/06/71/67/533067167.db2.gz QTTPLQCQJRXXKO-HIFRSBDPSA-N 1 0 329.473 2.916 40 0 EFABRO Cc1c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCOCC2)cnn1C ZINC000097229841 219000444 /nfs/dbraw/zinc/00/04/44/219000444.db2.gz FYWMQTCZHBDOEE-ZDUSSCGKSA-N 1 0 332.423 2.555 40 0 EFABRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000097375066 219018277 /nfs/dbraw/zinc/01/82/77/219018277.db2.gz CFSOAKNTEIODJR-DLBZAZTESA-N 1 0 344.480 2.717 40 0 EFABRO CC(C)Oc1cccc([C@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117032532 221025781 /nfs/dbraw/zinc/02/57/81/221025781.db2.gz LREZYYSOHHRBNE-YJBOKZPZSA-N 1 0 349.475 2.507 40 0 EFABRO CC[C@@H]([NH3+])c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223662 257686984 /nfs/dbraw/zinc/68/69/84/257686984.db2.gz CMUMALXIMSXDBL-OAHLLOKOSA-N 1 0 334.464 2.857 40 0 EFABRO CC[N@H+](C)Cc1cccc(CNC(=O)CSc2ccncc2)c1 ZINC000096134048 257834708 /nfs/dbraw/zinc/83/47/08/257834708.db2.gz GVOBJMVRDVJWPD-UHFFFAOYSA-N 1 0 329.469 2.942 40 0 EFABRO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306128517 257919008 /nfs/dbraw/zinc/91/90/08/257919008.db2.gz HCWSWOIDALXQKT-LZQZEXGQSA-N 1 0 346.515 2.772 40 0 EFABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035093010 132389718 /nfs/dbraw/zinc/38/97/18/132389718.db2.gz WERHEAMZFYEFSA-KFKAGJAMSA-N 1 0 336.451 2.514 40 0 EFABRO Brc1cc2c(c(C[NH2+]CCCn3ccnc3)c1)OCC2 ZINC000122384502 222076388 /nfs/dbraw/zinc/07/63/88/222076388.db2.gz XPYXBOMXSSWFFX-UHFFFAOYSA-N 1 0 336.233 2.760 40 0 EFABRO Cc1noc(C)c1CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000165987487 544850167 /nfs/dbraw/zinc/85/01/67/544850167.db2.gz JUWPOKPFGZZUSL-HNNXBMFYSA-N 1 0 325.416 2.756 40 0 EFABRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493054 273552562 /nfs/dbraw/zinc/55/25/62/273552562.db2.gz FGSWXICBKPVXMT-KYNGSXCRSA-N 1 0 330.472 2.517 40 0 EFABRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096242695 273872012 /nfs/dbraw/zinc/87/20/12/273872012.db2.gz FUERKZOBMNDWTN-KRWDZBQOSA-N 1 0 337.423 2.800 40 0 EFABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096052508 274035917 /nfs/dbraw/zinc/03/59/17/274035917.db2.gz FOBGRLSWGVWJAC-UHFFFAOYSA-N 1 0 340.423 2.806 40 0 EFABRO CO[C@H]1CCN(Cc2ccsc2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109458 274080924 /nfs/dbraw/zinc/08/09/24/274080924.db2.gz KOCLSUVSOXBCNR-OTWHNJEPSA-N 1 0 343.496 2.864 40 0 EFABRO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000077665029 274317858 /nfs/dbraw/zinc/31/78/58/274317858.db2.gz MVYDGTGDJMURAC-CBZIJGRNSA-N 1 0 337.508 2.611 40 0 EFABRO c1ccc2ncc(C[NH2+]C[C@H]3COCc4nc5cccnc5n43)cc2c1 ZINC000096112787 275072256 /nfs/dbraw/zinc/07/22/56/275072256.db2.gz PWQDJRIEHZSARV-INIZCTEOSA-N 1 0 345.406 2.841 40 0 biogenic,in-vitro EFABRO C[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C2(CCCCC2)C1 ZINC000157762495 277099995 /nfs/dbraw/zinc/09/99/95/277099995.db2.gz FQCBZEWYLDKOQI-UHFFFAOYSA-N 1 0 342.365 2.586 40 0 EFABRO COCC[NH+]1CCC2(C[C@H](N3CCOCC3)c3cc(C)ccc32)CC1 ZINC000096241778 277219899 /nfs/dbraw/zinc/21/98/99/277219899.db2.gz AMBDXJMHGMOLNZ-FQEVSTJZSA-N 1 0 344.499 2.752 40 0 EFABRO CC=C1C[NH2+][C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000001842531 277747737 /nfs/dbraw/zinc/74/77/37/277747737.db2.gz NKTORRNHKYVXSU-IITWYFFZSA-N 1 0 338.407 2.620 40 0 EFABRO COc1ccccc1CN1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000248123449 278049839 /nfs/dbraw/zinc/04/98/39/278049839.db2.gz GFFVJLGHFVUKBU-LJQANCHMSA-N 1 0 340.471 2.935 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000132717762 278089518 /nfs/dbraw/zinc/08/95/18/278089518.db2.gz XSJZBNPYUYMFJU-UHYCVJNDSA-N 1 0 344.455 2.946 40 0 EFABRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000056517466 278195548 /nfs/dbraw/zinc/19/55/48/278195548.db2.gz TXXIQJMGQHYJBI-MGPQQGTHSA-N 1 0 333.432 2.903 40 0 EFABRO CC(C)[N@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccsc2)C1 ZINC000096066929 279384273 /nfs/dbraw/zinc/38/42/73/279384273.db2.gz KRFZNEJUIOCBIL-AWEZNQCLSA-N 1 0 332.473 2.557 40 0 EFABRO CC(C)[N@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2cccs2)C1 ZINC000096188327 279384377 /nfs/dbraw/zinc/38/43/77/279384377.db2.gz QZGNJXGORDDHLG-AWEZNQCLSA-N 1 0 332.473 2.557 40 0 EFABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096070008 279396021 /nfs/dbraw/zinc/39/60/21/279396021.db2.gz HUKMMDZKCQJQPT-QRVBRYPASA-N 1 0 330.472 2.575 40 0 EFABRO CCO[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C12CCC2 ZINC000074605489 279915385 /nfs/dbraw/zinc/91/53/85/279915385.db2.gz LCUWXJGMXHFEFD-SJORKVTESA-N 1 0 335.492 2.604 40 0 EFABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096199897 280269899 /nfs/dbraw/zinc/26/98/99/280269899.db2.gz NMILXDFLCDDVAE-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1cc(C)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000042646593 280389481 /nfs/dbraw/zinc/38/94/81/280389481.db2.gz GQYBKJOVNIBZLR-UHFFFAOYSA-N 1 0 345.487 2.976 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359091 289073535 /nfs/dbraw/zinc/07/35/35/289073535.db2.gz BCVKLHOCQQJECC-AWEZNQCLSA-N 1 0 342.418 2.550 40 0 EFABRO C[C@@H]1CCc2c(C(=O)Nc3ccnn3CC[NH+](C)C)csc2C1 ZINC000294132222 295116374 /nfs/dbraw/zinc/11/63/74/295116374.db2.gz QEJUHKYYOFVUSA-GFCCVEGCSA-N 1 0 332.473 2.883 40 0 EFABRO O=C(C1CCC1)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257327501 295442505 /nfs/dbraw/zinc/44/25/05/295442505.db2.gz XBPGOLGYXPNHEU-KRWDZBQOSA-N 1 0 332.419 2.870 40 0 EFABRO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194004555 304854952 /nfs/dbraw/zinc/85/49/52/304854952.db2.gz ZSYAWSRWXIEWQU-MISYRCLQSA-N 1 0 342.483 2.961 40 0 EFABRO CC(C)n1ncnc1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297605015 310913278 /nfs/dbraw/zinc/91/32/78/310913278.db2.gz KENDAAMRJKXLDQ-UHFFFAOYSA-N 1 0 336.443 2.729 40 0 EFABRO CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC(O)(C[NH3+])CC3)ccc21 ZINC000332509259 311512502 /nfs/dbraw/zinc/51/25/02/311512502.db2.gz HCXXGJQXCGTIHO-UHFFFAOYSA-N 1 0 344.499 2.961 40 0 EFABRO Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)cnc1N1CCCC[C@@H]1C ZINC000333201890 311582078 /nfs/dbraw/zinc/58/20/78/311582078.db2.gz YABIBABFVATISL-HOTGVXAUSA-N 1 0 345.491 2.890 40 0 EFABRO C[C@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c2c(O)cccc21 ZINC000333254863 311590366 /nfs/dbraw/zinc/59/03/66/311590366.db2.gz HQGHQAZOOCOVDP-DZGCQCFKSA-N 1 0 340.427 2.667 40 0 EFABRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)nn1-c1cccc(Cl)c1 ZINC000333319513 311598814 /nfs/dbraw/zinc/59/88/14/311598814.db2.gz UFCLYIMZIMCMNP-SUMWQHHRSA-N 1 0 344.846 2.658 40 0 EFABRO O=C(NCCC[NH2+]Cc1cccnc1)c1csc2c1CCCC2 ZINC000120818301 323215798 /nfs/dbraw/zinc/21/57/98/323215798.db2.gz FLNZAAQBRXIJOL-UHFFFAOYSA-N 1 0 329.469 2.932 40 0 EFABRO Cc1cnccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000122321425 323216187 /nfs/dbraw/zinc/21/61/87/323216187.db2.gz MJTBCAWJPKPGOE-UHFFFAOYSA-N 1 0 346.475 2.746 40 0 EFABRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000127902598 323217768 /nfs/dbraw/zinc/21/77/68/323217768.db2.gz HAFHNRBMUJQACW-KXUCPTDWSA-N 1 0 332.288 2.860 40 0 EFABRO CC(C)c1ccc(CC[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000137555406 323219702 /nfs/dbraw/zinc/21/97/02/323219702.db2.gz RBENRJAILHVZRC-UHFFFAOYSA-N 1 0 343.515 2.593 40 0 EFABRO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000154462719 323220448 /nfs/dbraw/zinc/22/04/48/323220448.db2.gz CDLBGYJEQKPGSP-RDJZCZTQSA-N 1 0 338.542 2.923 40 0 EFABRO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000154462598 323220467 /nfs/dbraw/zinc/22/04/67/323220467.db2.gz CDLBGYJEQKPGSP-WBVHZDCISA-N 1 0 338.542 2.923 40 0 EFABRO C[NH+](C)CCn1ccc(NCc2sccc2Br)n1 ZINC000185043879 323381357 /nfs/dbraw/zinc/38/13/57/323381357.db2.gz SJEQNMSUBZAALQ-UHFFFAOYSA-N 1 0 329.267 2.881 40 0 EFABRO COc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)cc1Cc1ccccc1 ZINC000195543101 323529306 /nfs/dbraw/zinc/52/93/06/323529306.db2.gz CNZRMEZRFICFOV-SFHVURJKSA-N 1 0 340.423 2.603 40 0 EFABRO COCCC[NH+]1CCC(Nc2ccc(Br)cn2)CC1 ZINC000096417292 473396896 /nfs/dbraw/zinc/39/68/96/473396896.db2.gz YRVVJKYXUVOSLM-UHFFFAOYSA-N 1 0 328.254 2.757 40 0 EFABRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1Br ZINC000090189229 472608326 /nfs/dbraw/zinc/60/83/26/472608326.db2.gz UGOPMYXSMUMRGC-VIFPVBQESA-N 1 0 338.242 2.501 40 0 EFABRO CCC[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000095463280 473208951 /nfs/dbraw/zinc/20/89/51/473208951.db2.gz CXWXCXGTWTUWRM-GOSISDBHSA-N 1 0 339.439 2.502 40 0 EFABRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000096432856 473411586 /nfs/dbraw/zinc/41/15/86/473411586.db2.gz YLPNSXBCUXWWLP-JTQLQIEISA-N 1 0 335.395 2.695 40 0 EFABRO CC[C@@H]1[N@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2CCOC ZINC000096038508 473258208 /nfs/dbraw/zinc/25/82/08/473258208.db2.gz YLJARHDOFMXADX-HKUYNNGSSA-N 1 0 334.460 2.970 40 0 EFABRO Cc1cccc(C[N@H+]2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040686 473261165 /nfs/dbraw/zinc/26/11/65/473261165.db2.gz JQMKLLNTBPENCV-HQRMLTQVSA-N 1 0 338.455 2.877 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040440 473262048 /nfs/dbraw/zinc/26/20/48/473262048.db2.gz CAKIHSVVOFRMSV-MJGOQNOKSA-N 1 0 332.444 2.511 40 0 EFABRO O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000190407347 473262834 /nfs/dbraw/zinc/26/28/34/473262834.db2.gz GXVUJKOROBPEGR-QYZOEREBSA-N 1 0 345.487 2.501 40 0 EFABRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096046544 473266337 /nfs/dbraw/zinc/26/63/37/473266337.db2.gz MBVCAFCAMRVRQH-UHFFFAOYSA-N 1 0 342.468 2.666 40 0 EFABRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096046535 473266772 /nfs/dbraw/zinc/26/67/72/473266772.db2.gz CZDZWVHAXGTUJN-UHFFFAOYSA-N 1 0 331.441 2.864 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)s1 ZINC000096047420 473268196 /nfs/dbraw/zinc/26/81/96/473268196.db2.gz UZVQSBZWXJWAAV-MRXNPFEDSA-N 1 0 342.530 2.837 40 0 EFABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096047110 473268669 /nfs/dbraw/zinc/26/86/69/473268669.db2.gz RMOPKOVTZUGEQC-FQEVSTJZSA-N 1 0 339.439 2.732 40 0 EFABRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096047412 473269702 /nfs/dbraw/zinc/26/97/02/473269702.db2.gz LDCJSHHFZZLVPE-HNNXBMFYSA-N 1 0 328.503 2.528 40 0 EFABRO Cn1cc(CN2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046974 473269863 /nfs/dbraw/zinc/26/98/63/473269863.db2.gz ZYLRBUYAAOTOQP-GOSISDBHSA-N 1 0 330.501 2.970 40 0 EFABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047527 473270027 /nfs/dbraw/zinc/27/00/27/473270027.db2.gz MKTHOYTYHHMCNQ-FQEVSTJZSA-N 1 0 346.471 2.689 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096048346 473271268 /nfs/dbraw/zinc/27/12/68/473271268.db2.gz IVEJELFOAQESEA-YJBOKZPZSA-N 1 0 328.416 2.614 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096048621 473271372 /nfs/dbraw/zinc/27/13/72/473271372.db2.gz OSUUBLIAPKMCFK-HXUWFJFHSA-N 1 0 339.439 2.998 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096048620 473271648 /nfs/dbraw/zinc/27/16/48/473271648.db2.gz OSUUBLIAPKMCFK-FQEVSTJZSA-N 1 0 339.439 2.998 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccccn2)CCO3)o1 ZINC000096048958 473272186 /nfs/dbraw/zinc/27/21/86/473272186.db2.gz XCQWXAHADAKBGJ-UHFFFAOYSA-N 1 0 341.455 2.850 40 0 EFABRO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096048263 473272432 /nfs/dbraw/zinc/27/24/32/473272432.db2.gz FPHUCWOELQBEQG-RBUKOAKNSA-N 1 0 325.412 2.679 40 0 EFABRO c1coc(C[NH+]2CCC3(CC2)CN(Cc2ccccn2)CCO3)c1 ZINC000096048954 473272500 /nfs/dbraw/zinc/27/25/00/473272500.db2.gz IRLWZGTWCLEOGR-UHFFFAOYSA-N 1 0 327.428 2.542 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096049511 473273048 /nfs/dbraw/zinc/27/30/48/473273048.db2.gz DQNLYXXVROGSCG-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096049512 473273625 /nfs/dbraw/zinc/27/36/25/473273625.db2.gz DQNLYXXVROGSCG-GOSISDBHSA-N 1 0 344.484 2.657 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccco3)CC2)N1Cc1cccnc1 ZINC000096049372 473274487 /nfs/dbraw/zinc/27/44/87/473274487.db2.gz XWNCOWUGHDADNH-UHFFFAOYSA-N 1 0 325.412 2.832 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2nncs2)C3)o1 ZINC000096049670 473274582 /nfs/dbraw/zinc/27/45/82/473274582.db2.gz RMJUTJRHBSQBQP-KRWDZBQOSA-N 1 0 348.472 2.559 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1cccc(F)c1 ZINC000096050730 473274610 /nfs/dbraw/zinc/27/46/10/473274610.db2.gz YRAZNFYEQXQQBX-LJQANCHMSA-N 1 0 325.387 2.850 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)o1 ZINC000096048933 473270662 /nfs/dbraw/zinc/27/06/62/473270662.db2.gz STQDPGWSAPTNGE-UHFFFAOYSA-N 1 0 341.455 2.850 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@@H](C(=O)NC(C)C)C3(C2)CCOCC3)s1 ZINC000096052100 473275374 /nfs/dbraw/zinc/27/53/74/473275374.db2.gz LIRDJNRXNAWALF-INIZCTEOSA-N 1 0 336.501 2.810 40 0 EFABRO O=C1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053710 473275644 /nfs/dbraw/zinc/27/56/44/473275644.db2.gz UVSMEYANHZOTJD-RDJZCZTQSA-N 1 0 330.428 2.978 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051173 473276580 /nfs/dbraw/zinc/27/65/80/473276580.db2.gz INSPKZCILPDKQD-MRXNPFEDSA-N 1 0 334.370 2.807 40 0 EFABRO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4nccs4)CC[N@@H+]3C2)c1 ZINC000096055146 473277681 /nfs/dbraw/zinc/27/76/81/473277681.db2.gz QGRWLWBWGURQKP-GOEBONIOSA-N 1 0 333.432 2.620 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)s1 ZINC000096055680 473278123 /nfs/dbraw/zinc/27/81/23/473278123.db2.gz WUXAEHYHWVRROU-DLBZAZTESA-N 1 0 327.453 2.827 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000096055123 473278581 /nfs/dbraw/zinc/27/85/81/473278581.db2.gz SQXOYEIHHGXUSK-QZTJIDSGSA-N 1 0 343.496 2.927 40 0 EFABRO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cccs4)CC[N@@H+]3C2)n1 ZINC000096055069 473278787 /nfs/dbraw/zinc/27/87/87/473278787.db2.gz ALPOSNWRPHAPTP-ROUUACIJSA-N 1 0 343.496 2.927 40 0 EFABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000096054582 473279918 /nfs/dbraw/zinc/27/99/18/473279918.db2.gz YUYIWESOKHMODH-QILLFSRXSA-N 1 0 327.428 2.980 40 0 EFABRO c1cnn(CCCO[C@@H]2C[N@H+](Cc3cccs3)[C@@H]3CCCO[C@H]23)c1 ZINC000096058164 473280558 /nfs/dbraw/zinc/28/05/58/473280558.db2.gz QYPZQDQUWPAWIM-KURKYZTESA-N 1 0 347.484 2.783 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC000096058084 473281825 /nfs/dbraw/zinc/28/18/25/473281825.db2.gz LSLDXGVYJXWUKM-UFYCRDLUSA-N 1 0 340.423 2.901 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)cc1 ZINC000096058647 473282736 /nfs/dbraw/zinc/28/27/36/473282736.db2.gz UTAIDLCJUBJTBY-MRXNPFEDSA-N 1 0 339.439 2.590 40 0 EFABRO O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096059351 473283015 /nfs/dbraw/zinc/28/30/15/473283015.db2.gz RIIMXGQIJZLXHN-UHFFFAOYSA-N 1 0 326.415 2.998 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)cc1 ZINC000096058784 473283048 /nfs/dbraw/zinc/28/30/48/473283048.db2.gz MJRPOALBRIFEMG-UHFFFAOYSA-N 1 0 327.428 2.873 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)s1 ZINC000096058640 473283537 /nfs/dbraw/zinc/28/35/37/473283537.db2.gz LZPJGVYOJOYGLH-AWEZNQCLSA-N 1 0 329.469 2.951 40 0 EFABRO c1cc(C[NH2+]C[C@@H]2OCCc3cn(CC4CCOCC4)nc32)cs1 ZINC000096059763 473283624 /nfs/dbraw/zinc/28/36/24/473283624.db2.gz RTNGXRBZFZZRMA-KRWDZBQOSA-N 1 0 347.484 2.775 40 0 EFABRO CN(C)C(=O)[C@@H]1OC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096058364 473284372 /nfs/dbraw/zinc/28/43/72/473284372.db2.gz HHIFFMYLXIQVIC-GOSISDBHSA-N 1 0 340.423 2.930 40 0 EFABRO C[C@@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096062247 473286195 /nfs/dbraw/zinc/28/61/95/473286195.db2.gz JMCNMZROIASAPI-HNNXBMFYSA-N 1 0 346.446 2.818 40 0 EFABRO Cc1oncc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC000096062962 473286578 /nfs/dbraw/zinc/28/65/78/473286578.db2.gz UEOBEMSYZHPSAM-GOSISDBHSA-N 1 0 329.400 2.704 40 0 EFABRO CC(C)[N@H+](C)C[C@H]1Cn2ccnc2CN(CCc2ccccc2)C1 ZINC000096066933 473286815 /nfs/dbraw/zinc/28/68/15/473286815.db2.gz ZYFHPBSTUWITQS-LJQANCHMSA-N 1 0 326.488 2.898 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096066303 473286890 /nfs/dbraw/zinc/28/68/90/473286890.db2.gz NJAYWYBTOBGUDC-UAGQMJEPSA-N 1 0 343.452 2.761 40 0 EFABRO O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]2O1 ZINC000096066235 473287808 /nfs/dbraw/zinc/28/78/08/473287808.db2.gz ALRQYZZNVUXDRB-RRQGHBQHSA-N 1 0 343.452 2.761 40 0 EFABRO CC(C)[N@H+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccsc2)C1 ZINC000096066928 473287954 /nfs/dbraw/zinc/28/79/54/473287954.db2.gz KRFZNEJUIOCBIL-CQSZACIVSA-N 1 0 332.473 2.557 40 0 EFABRO CC(C)[N@H+](C)C[C@@H]1Cn2ccnc2CN(CCc2ccccc2)C1 ZINC000096066932 473287981 /nfs/dbraw/zinc/28/79/81/473287981.db2.gz ZYFHPBSTUWITQS-IBGZPJMESA-N 1 0 326.488 2.898 40 0 EFABRO Cn1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)n1 ZINC000096073145 473289986 /nfs/dbraw/zinc/28/99/86/473289986.db2.gz UEIPPYHIAGKMEQ-LJQANCHMSA-N 1 0 341.455 2.760 40 0 EFABRO Cc1occc1C(=O)N1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096070378 473288635 /nfs/dbraw/zinc/28/86/35/473288635.db2.gz ISWKVIHZQUINLN-LJQANCHMSA-N 1 0 344.411 2.546 40 0 EFABRO Cn1ccc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)n1 ZINC000096073144 473288725 /nfs/dbraw/zinc/28/87/25/473288725.db2.gz UEIPPYHIAGKMEQ-IBGZPJMESA-N 1 0 341.455 2.760 40 0 EFABRO c1csc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)n1 ZINC000096071876 473289206 /nfs/dbraw/zinc/28/92/06/473289206.db2.gz AZRQNNPINRJWRR-UHFFFAOYSA-N 1 0 329.473 2.816 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096073769 473289345 /nfs/dbraw/zinc/28/93/45/473289345.db2.gz NXQJJXWQEMDRAY-WMLDXEAASA-N 1 0 330.457 2.774 40 0 EFABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](Cc3ccc(F)cc3)CC2)N1 ZINC000096061453 473285417 /nfs/dbraw/zinc/28/54/17/473285417.db2.gz HDMLVMDVYQKGQZ-GOSISDBHSA-N 1 0 339.414 2.859 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccno1)c1ccccc1O2 ZINC000096079767 473290764 /nfs/dbraw/zinc/29/07/64/473290764.db2.gz AAGHNTDLAMPKGU-OAHLLOKOSA-N 1 0 341.411 2.783 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@H](NCc1cncn1C)c1ccccc1O2 ZINC000096079754 473291311 /nfs/dbraw/zinc/29/13/11/473291311.db2.gz LJNAWVXYPWOKLI-SFHVURJKSA-N 1 0 340.471 2.888 40 0 EFABRO c1csc(N[C@@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)n1 ZINC000096074230 473292056 /nfs/dbraw/zinc/29/20/56/473292056.db2.gz MVPKIJXHCOHKAA-HNNXBMFYSA-N 1 0 330.457 2.774 40 0 EFABRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)CN1c1ccccn1 ZINC000096090380 473294018 /nfs/dbraw/zinc/29/40/18/473294018.db2.gz AGTJTKZPNAAYSI-IBGZPJMESA-N 1 0 325.387 2.850 40 0 EFABRO COCCC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071056 473290043 /nfs/dbraw/zinc/29/00/43/473290043.db2.gz WSZALTBSWHEWAK-GOSISDBHSA-N 1 0 336.863 2.943 40 0 EFABRO c1ccc(O[C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106962 473298743 /nfs/dbraw/zinc/29/87/43/473298743.db2.gz KBGXTVLQKZONKR-QGZVFWFLSA-N 1 0 325.412 2.679 40 0 EFABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106886 473298828 /nfs/dbraw/zinc/29/88/28/473298828.db2.gz JPJDTZVTHUVDDT-LJQANCHMSA-N 1 0 339.439 2.817 40 0 EFABRO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096107397 473299675 /nfs/dbraw/zinc/29/96/75/473299675.db2.gz KMQBBRYVJCYNBE-APWZRJJASA-N 1 0 343.402 2.818 40 0 EFABRO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096107626 473300674 /nfs/dbraw/zinc/30/06/74/473300674.db2.gz KXZNCQANKDQFDB-ROUUACIJSA-N 1 0 345.468 2.797 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107660 473300988 /nfs/dbraw/zinc/30/09/88/473300988.db2.gz ANCCNKHWGCSPNM-YOEHRIQHSA-N 1 0 331.441 2.659 40 0 EFABRO c1ccc(CC[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108785 473301787 /nfs/dbraw/zinc/30/17/87/473301787.db2.gz RMLPTAMRHLEQCM-NHCUHLMSSA-N 1 0 345.483 2.621 40 0 EFABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 ZINC000096108764 473301979 /nfs/dbraw/zinc/30/19/79/473301979.db2.gz SCLQMTZDFVSYLZ-QZTJIDSGSA-N 1 0 337.485 2.640 40 0 EFABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](Cc2cccnc2)C3)cs1 ZINC000096108910 473302213 /nfs/dbraw/zinc/30/22/13/473302213.db2.gz NLWIRERWUAOVMW-AEFFLSMTSA-N 1 0 345.468 2.512 40 0 EFABRO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108603 473302828 /nfs/dbraw/zinc/30/28/28/473302828.db2.gz JVFLOTWOXFFLDZ-GVDBMIGSSA-N 1 0 346.452 2.703 40 0 EFABRO O=C(NCc1ccco1)[C@H]1CCC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000096109995 473303933 /nfs/dbraw/zinc/30/39/33/473303933.db2.gz XMODVGQVNRRTLR-QGZVFWFLSA-N 1 0 344.411 2.703 40 0 EFABRO Cc1cc2nc(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)[nH]c2cc1C ZINC000096112345 473304657 /nfs/dbraw/zinc/30/46/57/473304657.db2.gz HQCKRQLPEDGKQI-QAPCUYQASA-N 1 0 347.434 2.898 40 0 biogenic,in-vitro EFABRO Cc1occc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161694 473320009 /nfs/dbraw/zinc/32/00/09/473320009.db2.gz IIOQZNRNRVJOOW-IYBDPMFKSA-N 1 0 328.387 2.931 40 0 EFABRO Cc1noc(C)c1CN1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161687 473320165 /nfs/dbraw/zinc/32/01/65/473320165.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 1 0 329.419 2.994 40 0 EFABRO COCC[NH+]1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1 ZINC000096158609 473317617 /nfs/dbraw/zinc/31/76/17/473317617.db2.gz HWWVIHUPHMPAQM-UHFFFAOYSA-N 1 0 334.435 2.819 40 0 EFABRO O=C(Cc1cccc(F)c1)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096158655 473317760 /nfs/dbraw/zinc/31/77/60/473317760.db2.gz IIDBUWUCUWMTES-SFHVURJKSA-N 1 0 346.446 2.614 40 0 EFABRO O=C(c1cscn1)N1CCC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096158119 473317835 /nfs/dbraw/zinc/31/78/35/473317835.db2.gz IVBPQFASJMTRLC-SFHVURJKSA-N 1 0 342.468 2.666 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159510 473320281 /nfs/dbraw/zinc/32/02/81/473320281.db2.gz UHSKLEZLIZCBET-FQEVSTJZSA-N 1 0 337.423 2.719 40 0 EFABRO O=C1COC2(CC[NH+](Cc3ccccn3)CC2)CN1c1ccsc1 ZINC000096159159 473318526 /nfs/dbraw/zinc/31/85/26/473318526.db2.gz PRRLVJUVASIPTL-UHFFFAOYSA-N 1 0 343.452 2.541 40 0 EFABRO Fc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC000096158829 473318694 /nfs/dbraw/zinc/31/86/94/473318694.db2.gz XONNGJVTVSPBAV-UHFFFAOYSA-N 1 0 348.447 2.549 40 0 EFABRO Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3nccs3)CC[N@@H+]2C1 ZINC000096183565 473324600 /nfs/dbraw/zinc/32/46/00/473324600.db2.gz IBTJBHDFKUGYLG-JKSUJKDBSA-N 1 0 347.459 2.758 40 0 EFABRO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccncc4)CC[N@@H+]3C2)c1 ZINC000096183540 473324821 /nfs/dbraw/zinc/32/48/21/473324821.db2.gz GYGBZFITHINBCW-PKOBYXMFSA-N 1 0 327.403 2.558 40 0 EFABRO Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C)C2)s1 ZINC000096185670 473326039 /nfs/dbraw/zinc/32/60/39/473326039.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 1 0 330.501 2.848 40 0 EFABRO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)c(C)o1 ZINC000096184465 473327852 /nfs/dbraw/zinc/32/78/52/473327852.db2.gz ARBQDOCJTQBGOM-ZWKOTPCHSA-N 1 0 332.444 2.612 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3nc(C(=O)N(C)C)sc3CC2)s1 ZINC000096187574 473328945 /nfs/dbraw/zinc/32/89/45/473328945.db2.gz BMAZZQMHPBMIQF-UHFFFAOYSA-N 1 0 335.498 2.816 40 0 EFABRO Fc1cccc(-c2ncnc3c2CC[N@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000096187657 473329104 /nfs/dbraw/zinc/32/91/04/473329104.db2.gz WORYOOSRFHNXBW-AWEZNQCLSA-N 1 0 327.403 2.720 40 0 EFABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(F)c2)O1)N1CCCCO1 ZINC000096186996 473329633 /nfs/dbraw/zinc/32/96/33/473329633.db2.gz FPADHCGGSGVQQM-KURKYZTESA-N 1 0 348.418 2.502 40 0 EFABRO Cc1cccc(Cn2c(=O)ccc3c2CC[N@H+](Cc2ccco2)CC3)n1 ZINC000096196727 473332208 /nfs/dbraw/zinc/33/22/08/473332208.db2.gz VJXBXQCCQFGASM-UHFFFAOYSA-N 1 0 349.434 2.794 40 0 EFABRO CN(Cc1ccco1)Cc1cnc2n1CC[N@@H+](Cc1ccco1)CC2 ZINC000096197089 473332311 /nfs/dbraw/zinc/33/23/11/473332311.db2.gz OXALRNRBDHYANR-UHFFFAOYSA-N 1 0 340.427 2.759 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096199591 473335444 /nfs/dbraw/zinc/33/54/44/473335444.db2.gz GEWIJJXGWDRLRS-SFHVURJKSA-N 1 0 339.439 2.930 40 0 EFABRO CO[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200478 473335973 /nfs/dbraw/zinc/33/59/73/473335973.db2.gz ZRXBVOQJQVRTPQ-IRXDYDNUSA-N 1 0 326.396 2.642 40 0 EFABRO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202175 473336942 /nfs/dbraw/zinc/33/69/42/473336942.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 1 0 343.496 2.868 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccco2)C[C@@]12COCCN(Cc1nccs1)C2 ZINC000096202393 473337361 /nfs/dbraw/zinc/33/73/61/473337361.db2.gz JICZHWVGYATKAY-YJBOKZPZSA-N 1 0 347.484 2.707 40 0 EFABRO O=C1N(Cc2cccnc2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096202870 473339127 /nfs/dbraw/zinc/33/91/27/473339127.db2.gz RBVFRAWQBOMMNT-UHFFFAOYSA-N 1 0 339.414 2.845 40 0 EFABRO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202178 473337845 /nfs/dbraw/zinc/33/78/45/473337845.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 1 0 343.496 2.868 40 0 EFABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000096207532 473343073 /nfs/dbraw/zinc/34/30/73/473343073.db2.gz TYVMBSVWTGPQIL-AZUAARDMSA-N 1 0 328.456 2.741 40 0 EFABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCC1 ZINC000096206925 473343349 /nfs/dbraw/zinc/34/33/49/473343349.db2.gz XLIFRYPYZXPAGC-UYAOXDASSA-N 1 0 343.471 2.616 40 0 EFABRO c1cc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc2c1OCO2 ZINC000096205993 473340147 /nfs/dbraw/zinc/34/01/47/473340147.db2.gz NPAGPIPSDCGTKB-LPHOPBHVSA-N 1 0 331.412 2.575 40 0 EFABRO C[N@@H+]1[C@@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2 ZINC000096206778 473340542 /nfs/dbraw/zinc/34/05/42/473340542.db2.gz CDTOBHZCEGTWOH-LJQANCHMSA-N 1 0 329.488 2.937 40 0 EFABRO CC[NH+](CC)[C@@H]1CCO[C@]2(CCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000096205960 473340850 /nfs/dbraw/zinc/34/08/50/473340850.db2.gz OWACHQCSNQBAOC-UYAOXDASSA-N 1 0 348.462 2.860 40 0 EFABRO CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096207930 473341742 /nfs/dbraw/zinc/34/17/42/473341742.db2.gz MYKPPNYEQNVDRR-KSZLIROESA-N 1 0 344.411 2.543 40 0 EFABRO CCOc1cccc(C(=O)N2CCC3(C[C@@H](COC)[N@H+](C)C3)CC2)c1 ZINC000096207543 473341917 /nfs/dbraw/zinc/34/19/17/473341917.db2.gz ZTYHUPZHMLUIGN-KRWDZBQOSA-N 1 0 346.471 2.658 40 0 EFABRO CN(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)O1 ZINC000096207658 473342453 /nfs/dbraw/zinc/34/24/53/473342453.db2.gz ITZGCKDUCNAKIO-WMLDXEAASA-N 1 0 337.489 2.533 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000096208299 473344523 /nfs/dbraw/zinc/34/45/23/473344523.db2.gz JXPLPCAMSYHLHR-INIZCTEOSA-N 1 0 334.435 2.707 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000096208298 473344779 /nfs/dbraw/zinc/34/47/79/473344779.db2.gz JXPLPCAMSYHLHR-MRXNPFEDSA-N 1 0 334.435 2.707 40 0 EFABRO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccco1)CC2 ZINC000096208684 473345162 /nfs/dbraw/zinc/34/51/62/473345162.db2.gz DSLYXOICOTWLJV-KRWDZBQOSA-N 1 0 346.471 2.704 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c1 ZINC000096209231 473345462 /nfs/dbraw/zinc/34/54/62/473345462.db2.gz HFQMLLOUQDROFV-UYAOXDASSA-N 1 0 328.456 2.741 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@H+](CCc3ccccc3)CC[C@@H]12)N1CCCC1 ZINC000096208960 473345852 /nfs/dbraw/zinc/34/58/52/473345852.db2.gz JLCQVYPFVARFEZ-VAMGGRTRSA-N 1 0 342.483 2.579 40 0 EFABRO c1coc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)c1 ZINC000096215467 473346316 /nfs/dbraw/zinc/34/63/16/473346316.db2.gz KVGGEYVLIAGEQY-BMFZPTHFSA-N 1 0 329.400 2.620 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000096216089 473346961 /nfs/dbraw/zinc/34/69/61/473346961.db2.gz MOMZTCMMMHOYJH-LJQANCHMSA-N 1 0 331.460 2.906 40 0 EFABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000096215781 473347605 /nfs/dbraw/zinc/34/76/05/473347605.db2.gz AHYAYXFPUGXVNK-RHSMWYFYSA-N 1 0 326.843 2.879 40 0 EFABRO Cc1ccc(N2CCC[C@@]3(CC[N@H+](CC4CCOCC4)C3)C2)nn1 ZINC000096217116 473349595 /nfs/dbraw/zinc/34/95/95/473349595.db2.gz WGMRRHXNMOMXSP-IBGZPJMESA-N 1 0 330.476 2.504 40 0 EFABRO CN(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216492 473349790 /nfs/dbraw/zinc/34/97/90/473349790.db2.gz NFVRGRDFZLZWDN-LJQANCHMSA-N 1 0 331.460 2.535 40 0 EFABRO O=C(C[C@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12)Nc1cccnc1 ZINC000096216852 473350320 /nfs/dbraw/zinc/35/03/20/473350320.db2.gz ZIEWPJMHAIPWEB-USXIJHARSA-N 1 0 343.452 2.619 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000096217879 473348890 /nfs/dbraw/zinc/34/88/90/473348890.db2.gz OYOOIUMKNXRHOP-QFBILLFUSA-N 1 0 348.512 2.877 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)cc1 ZINC000096220250 473354084 /nfs/dbraw/zinc/35/40/84/473354084.db2.gz WCIFCUNQLJVTMB-NSISKUIASA-N 1 0 340.423 2.616 40 0 EFABRO c1csc(C[NH+]2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)c1 ZINC000096221546 473354265 /nfs/dbraw/zinc/35/42/65/473354265.db2.gz WGNWCJZXCFZPBC-AWEZNQCLSA-N 1 0 330.457 2.774 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096220602 473354537 /nfs/dbraw/zinc/35/45/37/473354537.db2.gz JPFPAFMVCXCLNA-ICSRJNTNSA-N 1 0 329.488 2.570 40 0 EFABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096224435 473356309 /nfs/dbraw/zinc/35/63/09/473356309.db2.gz FYHYAVAXNCNVID-LJQANCHMSA-N 1 0 325.412 2.689 40 0 EFABRO O=C(NCc1ccco1)C1=NO[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC000096225880 473356745 /nfs/dbraw/zinc/35/67/45/473356745.db2.gz YYEMJPZYRCQFFJ-LJQANCHMSA-N 1 0 345.443 2.697 40 0 EFABRO COCC[NH+]1CCC2(C[C@H](N3CCOCC3)c3ccc(C)cc32)CC1 ZINC000096241753 473361834 /nfs/dbraw/zinc/36/18/34/473361834.db2.gz LTSPMIKKGKMSIY-FQEVSTJZSA-N 1 0 344.499 2.752 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243981 473361962 /nfs/dbraw/zinc/36/19/62/473361962.db2.gz HCTCRCGJIQWVLP-FQEVSTJZSA-N 1 0 338.455 2.525 40 0 EFABRO FC1(F)CC[N@@H+](C2CCOCC2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239601 473362067 /nfs/dbraw/zinc/36/20/67/473362067.db2.gz CLNJPPVBOFYZRL-QGZVFWFLSA-N 1 0 337.414 2.798 40 0 EFABRO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2=O)cs1 ZINC000096245104 473362101 /nfs/dbraw/zinc/36/21/01/473362101.db2.gz CVBPTDBRBHFXDZ-WFASDCNBSA-N 1 0 333.482 2.603 40 0 EFABRO Cc1ccccc1C[N@H+]1CC[C@]2(C1)COCc1cnc(N(C)C)nc12 ZINC000096244005 473362264 /nfs/dbraw/zinc/36/22/64/473362264.db2.gz NLGZXLKGCMGWNV-FQEVSTJZSA-N 1 0 338.455 2.525 40 0 EFABRO Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@H+](Cc2ccccc2)C1 ZINC000096244394 473362282 /nfs/dbraw/zinc/36/22/82/473362282.db2.gz UVVWBBUNEFBCRW-HXUWFJFHSA-N 1 0 338.455 2.525 40 0 EFABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](CC1CC1)CC2 ZINC000096260520 473367563 /nfs/dbraw/zinc/36/75/63/473367563.db2.gz BKFMENKMQNMSGT-UHFFFAOYSA-N 1 0 344.503 2.662 40 0 EFABRO Cc1cccc(CN2CCO[C@H]3C[N@H+](CCc4ccccc4)C[C@H]32)n1 ZINC000096248841 473363433 /nfs/dbraw/zinc/36/34/33/473363433.db2.gz ZCEQTZJJNSPSJU-RTWAWAEBSA-N 1 0 337.467 2.518 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CNC(=O)c4ccsc4)O[C@H]3C2)o1 ZINC000096251664 473363528 /nfs/dbraw/zinc/36/35/28/473363528.db2.gz WTSWCCSNYZRZCA-OIISXLGYSA-N 1 0 346.452 2.669 40 0 EFABRO Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)c1 ZINC000096246151 473364361 /nfs/dbraw/zinc/36/43/61/473364361.db2.gz OZXDVJKMFLKAHS-OTWHNJEPSA-N 1 0 328.456 2.568 40 0 EFABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](CCc1ccccc1)CC2 ZINC000096261173 473367851 /nfs/dbraw/zinc/36/78/51/473367851.db2.gz FCOCNSGVTNMNNM-LJQANCHMSA-N 1 0 335.451 2.762 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC000096246162 473364863 /nfs/dbraw/zinc/36/48/63/473364863.db2.gz QVVJUSPVDSFRIG-ZWKOTPCHSA-N 1 0 339.439 2.886 40 0 EFABRO CCc1ccc(C[N@@H+]2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 ZINC000096255192 473366172 /nfs/dbraw/zinc/36/61/72/473366172.db2.gz IOZFUHIKVIMOKE-UHFFFAOYSA-N 1 0 337.427 2.633 40 0 EFABRO COc1ncccc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255238 473366273 /nfs/dbraw/zinc/36/62/73/473366273.db2.gz FRNODGMCYMAYJD-UHFFFAOYSA-N 1 0 347.422 2.543 40 0 EFABRO Cn1cc(-c2ncnc3c2CC[N@H+](Cc2ccc(F)cc2)CC3)cn1 ZINC000096255195 473366827 /nfs/dbraw/zinc/36/68/27/473366827.db2.gz GAFQQAGYOODWQH-UHFFFAOYSA-N 1 0 337.402 2.617 40 0 EFABRO OCC[NH+]1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC000096260721 473368093 /nfs/dbraw/zinc/36/80/93/473368093.db2.gz IASIBCOOHFCWCT-UHFFFAOYSA-N 1 0 328.441 2.630 40 0 EFABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CCOCC2)C3)cc1 ZINC000096269410 473369018 /nfs/dbraw/zinc/36/90/18/473369018.db2.gz FKOUPSIIVNYYJD-KRWDZBQOSA-N 1 0 327.428 2.526 40 0 biogenic,in-vitro EFABRO c1csc(C[NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)n1 ZINC000096296449 473372570 /nfs/dbraw/zinc/37/25/70/473372570.db2.gz ZBSOSOSLFSWCND-AWEZNQCLSA-N 1 0 326.425 2.695 40 0 biogenic,in-vitro EFABRO Cc1noc(C)c1C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096268260 473369977 /nfs/dbraw/zinc/36/99/77/473369977.db2.gz FFRISHANBNJHRJ-HNNXBMFYSA-N 1 0 341.411 2.667 40 0 EFABRO Cc1n[nH]cc1C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000096403979 473380883 /nfs/dbraw/zinc/38/08/83/473380883.db2.gz QUGMFNYKKLINNF-AWEZNQCLSA-N 1 0 335.249 2.849 40 0 EFABRO COc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000096404179 473381382 /nfs/dbraw/zinc/38/13/82/473381382.db2.gz QBYBMEIHVNAGEZ-DZGCQCFKSA-N 1 0 335.423 2.775 40 0 EFABRO Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n2ncnc2n1 ZINC000096403950 473380291 /nfs/dbraw/zinc/38/02/91/473380291.db2.gz JPUNDEDXFMTMNS-MRXNPFEDSA-N 1 0 328.464 2.525 40 0 EFABRO CCC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000096404169 473380414 /nfs/dbraw/zinc/38/04/14/473380414.db2.gz PUSJZIAQBJSMRJ-INIZCTEOSA-N 1 0 330.432 2.737 40 0 EFABRO CC[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000096406883 473384478 /nfs/dbraw/zinc/38/44/78/473384478.db2.gz DRXLPQPVWKEGFK-XJKSGUPXSA-N 1 0 337.439 2.596 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSC(C)(C)C ZINC000096407627 473385815 /nfs/dbraw/zinc/38/58/15/473385815.db2.gz AAFSRAINGCPTQI-HOCLYGCPSA-N 1 0 335.517 2.940 40 0 EFABRO COC(=O)c1ccc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1 ZINC000096407647 473386092 /nfs/dbraw/zinc/38/60/92/473386092.db2.gz NBFMFDHETWPZTN-AWEZNQCLSA-N 1 0 340.427 2.901 40 0 EFABRO Cc1cc(C)n2cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)nc2n1 ZINC000096412980 473391411 /nfs/dbraw/zinc/39/14/11/473391411.db2.gz GLWCJUMSCNDUKL-UHFFFAOYSA-N 1 0 347.463 2.693 40 0 EFABRO CCn1c(C)[n+](C[C@H](O)COc2ccccc2OC)c2ccccc21 ZINC000000089075 471321661 /nfs/dbraw/zinc/32/16/61/471321661.db2.gz MMBNDMSPWLTNHC-INIZCTEOSA-N 1 0 341.431 2.706 40 0 EFABRO O=C(OCC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000000188746 471332457 /nfs/dbraw/zinc/33/24/57/471332457.db2.gz RZWPJFMNFATBEG-UHFFFAOYSA-N 1 0 339.435 2.952 40 0 in-man EFABRO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000307263 471345742 /nfs/dbraw/zinc/34/57/42/471345742.db2.gz VLPYZYRQQHWHJK-HNNXBMFYSA-N 1 0 331.823 2.868 40 0 EFABRO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000001475540 471392427 /nfs/dbraw/zinc/39/24/27/471392427.db2.gz WPBBXJYMBHPLLZ-KRWDZBQOSA-N 1 0 349.471 2.643 40 0 aggregator EFABRO COc1ccc([C@@H]2C[NH2+]Cc3cc(OC)c(OC)cc32)cc1OC ZINC000003847191 471455381 /nfs/dbraw/zinc/45/53/81/471455381.db2.gz DXGTVOYDVCAEFZ-HNNXBMFYSA-N 1 0 329.396 2.956 40 0 EFABRO COC(=O)[C@H]1C[C@@]23C=C[NH2+][C@@H]4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]43 ZINC000005003943 471483148 /nfs/dbraw/zinc/48/31/48/471483148.db2.gz CMPWHNRHOAEHMK-HXUSYRNMSA-N 1 0 336.435 2.813 40 0 EFABRO CCOCCOc1ccccc1[C@@H](Cc1ccccc1)[NH2+]CCO ZINC000006403927 471544656 /nfs/dbraw/zinc/54/46/56/471544656.db2.gz SHTOTXRMVUPPEF-LJQANCHMSA-N 1 0 329.440 2.968 40 0 EFABRO COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@@H]43 ZINC000006896912 471577469 /nfs/dbraw/zinc/57/74/69/471577469.db2.gz CZLWGXKWXLVFJU-SBTGKJMVSA-N 1 0 338.451 2.786 40 0 EFABRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000007436761 471614259 /nfs/dbraw/zinc/61/42/59/471614259.db2.gz NAWGOABQFTUZPP-CYBMUJFWSA-N 1 0 345.395 2.582 40 0 EFABRO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH+]1CCCCCCC1 ZINC000007582284 471622461 /nfs/dbraw/zinc/62/24/61/471622461.db2.gz VSSLYLMWWXNJLO-UHFFFAOYSA-N 1 0 345.487 2.966 40 0 EFABRO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]Cc1nnc2ccccn21 ZINC000007985284 471653979 /nfs/dbraw/zinc/65/39/79/471653979.db2.gz RTWKLXXSJBZZNH-LBPRGKRZSA-N 1 0 343.818 2.890 40 0 EFABRO CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CC[NH2+]CC1 ZINC000012157457 471766214 /nfs/dbraw/zinc/76/62/14/471766214.db2.gz BERFRTJUJZJAMJ-OAHLLOKOSA-N 1 0 330.428 2.811 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000012292071 471770261 /nfs/dbraw/zinc/77/02/61/471770261.db2.gz DWRRNDHXFIIYEN-QUCCMNQESA-N 1 0 327.424 2.712 40 0 EFABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000012292070 471771035 /nfs/dbraw/zinc/77/10/35/471771035.db2.gz DWRRNDHXFIIYEN-UYAOXDASSA-N 1 0 327.424 2.712 40 0 EFABRO c1cncc(-c2nccc(CN3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000012670923 471788815 /nfs/dbraw/zinc/78/88/15/471788815.db2.gz UZOINTKFTAANSM-UHFFFAOYSA-N 1 0 337.471 2.989 40 0 EFABRO Cc1c(-c2cc(C(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)on2)cnn1C ZINC000013641800 471836142 /nfs/dbraw/zinc/83/61/42/471836142.db2.gz CFLSKOOVGODJAP-ZDUSSCGKSA-N 1 0 347.463 2.621 40 0 EFABRO COc1cccc(OC)c1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013647901 471836711 /nfs/dbraw/zinc/83/67/11/471836711.db2.gz SJRFRNWQDKSPCX-GJZGRUSLSA-N 1 0 334.460 2.802 40 0 EFABRO COc1cc(OC)cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013673433 471837644 /nfs/dbraw/zinc/83/76/44/471837644.db2.gz NOHYCXLNEVFIOY-GASCZTMLSA-N 1 0 334.460 2.802 40 0 EFABRO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674490 471914480 /nfs/dbraw/zinc/91/44/80/471914480.db2.gz QBPSLLOTANDTFZ-CVEARBPZSA-N 1 0 328.416 2.820 40 0 biogenic,in-vitro EFABRO Cc1cccc(OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)c1C ZINC000016779365 471949407 /nfs/dbraw/zinc/94/94/07/471949407.db2.gz GJJXZNMFSGVZOB-IBGZPJMESA-N 1 0 329.440 2.538 40 0 EFABRO O[C@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2 ZINC000019335385 471979893 /nfs/dbraw/zinc/97/98/93/471979893.db2.gz NPPZPAZPNTYELE-LJQANCHMSA-N 1 0 342.414 2.616 40 0 EFABRO Cc1cc(N2CCOCC2)cc([C@H]2CCCN(C(=O)C3CCC3)C2)[nH+]1 ZINC000019570094 471981019 /nfs/dbraw/zinc/98/10/19/471981019.db2.gz GOEXEKPBHJJQPJ-KRWDZBQOSA-N 1 0 343.471 2.733 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)cn1 ZINC000019688573 471982687 /nfs/dbraw/zinc/98/26/87/471982687.db2.gz SOKJNMKGGXHZOF-QGZVFWFLSA-N 1 0 336.443 2.595 40 0 EFABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713234 471983913 /nfs/dbraw/zinc/98/39/13/471983913.db2.gz UDGCMHWCEMZJKE-JKSUJKDBSA-N 1 0 326.444 2.584 40 0 EFABRO CCN1CCc2cc(C[N@@H+]3CC[C@@H](C(=O)NC4CCCC4)C3)ccc21 ZINC000019750379 471984120 /nfs/dbraw/zinc/98/41/20/471984120.db2.gz UZJRGPRKWHFMLL-GOSISDBHSA-N 1 0 341.499 2.950 40 0 EFABRO CCCCCC(=O)NC(=S)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000033760509 471987141 /nfs/dbraw/zinc/98/71/41/471987141.db2.gz MZCUWBLGPWPNCP-UHFFFAOYSA-N 1 0 348.516 2.832 40 0 EFABRO O=C(NC1CC1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684067 471990739 /nfs/dbraw/zinc/99/07/39/471990739.db2.gz UOGBKSVAYYTKMW-UHFFFAOYSA-N 1 0 349.478 2.897 40 0 EFABRO C[C@@H](O)C[NH2+]CCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000022075058 472010282 /nfs/dbraw/zinc/01/02/82/472010282.db2.gz VBCQRLHVCCOGJE-OAHLLOKOSA-N 1 0 348.874 2.979 40 0 EFABRO CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CC[NH2+]CC1 ZINC000040165633 472030350 /nfs/dbraw/zinc/03/03/50/472030350.db2.gz ZYBOXYQTWHFQSY-UHFFFAOYSA-N 1 0 333.819 2.783 40 0 EFABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690224 472079236 /nfs/dbraw/zinc/07/92/36/472079236.db2.gz LGEBOWPOLKLAJM-UXLLHSPISA-N 1 0 325.424 2.845 40 0 EFABRO O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1 ZINC000041689901 472079460 /nfs/dbraw/zinc/07/94/60/472079460.db2.gz OYRZXPDAQHHEPN-WFRNDULYSA-N 1 0 337.504 2.835 40 0 EFABRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccccc1F ZINC000025368722 472093429 /nfs/dbraw/zinc/09/34/29/472093429.db2.gz HJGYNJXFGSIDCR-INIZCTEOSA-N 1 0 347.386 2.564 40 0 EFABRO O=S(=O)(Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000025767260 472110494 /nfs/dbraw/zinc/11/04/94/472110494.db2.gz KXYOBQFDRSGRNX-UHFFFAOYSA-N 1 0 344.480 2.902 40 0 EFABRO COc1ccc(NC(=O)[C@H](C)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000026439336 472135580 /nfs/dbraw/zinc/13/55/80/472135580.db2.gz JSNHYDWRSBVZTL-INIZCTEOSA-N 1 0 345.487 2.973 40 0 EFABRO COc1ccc(/C=C/c2cccc[n+]2C)cc1CN1CCOCC1 ZINC000026441361 472135832 /nfs/dbraw/zinc/13/58/32/472135832.db2.gz XVYNYNQGRTXNBD-SOFGYWHQSA-N 1 0 325.432 2.522 40 0 EFABRO CC[NH+]1CCN(C[C@@H](O)COc2ccc(C)cc2C(C)(C)C)CC1 ZINC000026781107 472147970 /nfs/dbraw/zinc/14/79/70/472147970.db2.gz IZINOHBVYPAOQF-QGZVFWFLSA-N 1 0 334.504 2.670 40 0 EFABRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000042645730 472154886 /nfs/dbraw/zinc/15/48/86/472154886.db2.gz ZNQQMCBTJXAMAG-UHFFFAOYSA-N 1 0 337.851 2.704 40 0 EFABRO CCOc1ccccc1OCCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000075752406 472193870 /nfs/dbraw/zinc/19/38/70/472193870.db2.gz VXYPLTNHHRWKHK-UHFFFAOYSA-N 1 0 348.487 2.651 40 0 EFABRO CCC[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)CC1 ZINC000027969637 472205528 /nfs/dbraw/zinc/20/55/28/472205528.db2.gz XIFDNXFVJXEZSO-UHFFFAOYSA-N 1 0 346.862 2.753 40 0 EFABRO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000028295290 472221414 /nfs/dbraw/zinc/22/14/14/472221414.db2.gz UUJWJBPJLSKMCI-DLBZAZTESA-N 1 0 349.471 2.825 40 0 EFABRO C[C@@H](C[NH3+])n1cc(-c2ccc(I)cc2)cn1 ZINC000085393780 472241087 /nfs/dbraw/zinc/24/10/87/472241087.db2.gz ITHIYZCMPXYOND-VIFPVBQESA-N 1 0 327.169 2.674 40 0 EFABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000085468208 472251291 /nfs/dbraw/zinc/25/12/91/472251291.db2.gz DMLDHVYMILRXSZ-HNNXBMFYSA-N 1 0 349.906 2.828 40 0 EFABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000085468136 472252307 /nfs/dbraw/zinc/25/23/07/472252307.db2.gz GVZSAKIGLXLHSH-KRWDZBQOSA-N 1 0 335.536 2.831 40 0 EFABRO CN(C)c1cccc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)c1 ZINC000085473201 472253716 /nfs/dbraw/zinc/25/37/16/472253716.db2.gz HGMGECGRIQHMBJ-SFHVURJKSA-N 1 0 347.528 2.796 40 0 EFABRO CN(CC[NH+]1CCC(C(=O)Nc2ccccn2)CC1)c1ccccc1 ZINC000085786991 472267053 /nfs/dbraw/zinc/26/70/53/472267053.db2.gz KFABAIDCZXQUSX-UHFFFAOYSA-N 1 0 338.455 2.869 40 0 EFABRO CCS(=O)(=O)c1ccccc1N1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086252251 472276902 /nfs/dbraw/zinc/27/69/02/472276902.db2.gz SQUFCYPPXASUDZ-UHFFFAOYSA-N 1 0 347.484 2.567 40 0 EFABRO CC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000029608403 472285149 /nfs/dbraw/zinc/28/51/49/472285149.db2.gz BPUFMTGQUXRPRY-UHFFFAOYSA-N 1 0 338.455 2.575 40 0 EFABRO CC(C)N(C)C(=O)NCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000086425704 472285265 /nfs/dbraw/zinc/28/52/65/472285265.db2.gz IJFGXGDEKVAYHF-UHFFFAOYSA-N 1 0 338.883 2.642 40 0 EFABRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000056517465 472331188 /nfs/dbraw/zinc/33/11/88/472331188.db2.gz TXXIQJMGQHYJBI-MELADBBJSA-N 1 0 333.432 2.903 40 0 EFABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000044908119 472351295 /nfs/dbraw/zinc/35/12/95/472351295.db2.gz HZYPKZPKVMGACV-UHFFFAOYSA-N 1 0 326.444 2.537 40 0 EFABRO CC[NH+](CC)[C@H](CNC(=O)c1nc(SC)ncc1Cl)C(C)C ZINC000031383953 472375645 /nfs/dbraw/zinc/37/56/45/472375645.db2.gz QIPQMAGPENNUGG-GFCCVEGCSA-N 1 0 344.912 2.948 40 0 EFABRO FC(F)(F)c1cccc(CN2CC[NH+](CCC3OCCO3)CC2)c1 ZINC000097094929 472441638 /nfs/dbraw/zinc/44/16/38/472441638.db2.gz IWJXCHAOYLKVIV-UHFFFAOYSA-N 1 0 344.377 2.586 40 0 EFABRO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000032502461 472441865 /nfs/dbraw/zinc/44/18/65/472441865.db2.gz AFNUIVPQFXGZRD-KRWDZBQOSA-N 1 0 342.443 2.640 40 0 EFABRO Brc1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)nc1 ZINC000097102094 472447594 /nfs/dbraw/zinc/44/75/94/472447594.db2.gz RCAJKOGSLSETGC-ZDUSSCGKSA-N 1 0 325.254 2.694 40 0 EFABRO C[C@@H](C[N@@H+]1CCCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103880 472448871 /nfs/dbraw/zinc/44/88/71/472448871.db2.gz ACHHXTRQFJWOEW-HNNXBMFYSA-N 1 0 337.895 2.539 40 0 EFABRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000032929491 472482775 /nfs/dbraw/zinc/48/27/75/472482775.db2.gz JCHHVVABLIMIRB-OAHLLOKOSA-N 1 0 332.469 2.850 40 0 EFABRO CC(C)[NH+](CCNC(=O)CCCn1c2ccccc2oc1=O)C(C)C ZINC000032989062 472487563 /nfs/dbraw/zinc/48/75/63/472487563.db2.gz UACHUKUKWOKDOM-UHFFFAOYSA-N 1 0 347.459 2.610 40 0 EFABRO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000128755050 472492365 /nfs/dbraw/zinc/49/23/65/472492365.db2.gz DRWYINRMNGGMMU-JKSUJKDBSA-N 1 0 326.448 2.960 40 0 EFABRO CC[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(S(N)(=O)=O)c1 ZINC000097370628 472492736 /nfs/dbraw/zinc/49/27/36/472492736.db2.gz SCACEMKGEVHPMD-SFHVURJKSA-N 1 0 346.452 2.605 40 0 EFABRO COC1CCN(CC[NH2+]Cc2sccc2Br)CC1 ZINC000097378263 472494329 /nfs/dbraw/zinc/49/43/29/472494329.db2.gz KGUKAILCOHLKNY-UHFFFAOYSA-N 1 0 333.295 2.711 40 0 EFABRO COC(=O)c1cc([C@@H](O)C[NH2+][C@@H](C)CCc2ccccc2)ccc1O ZINC000077301679 472496195 /nfs/dbraw/zinc/49/61/95/472496195.db2.gz HDMYIQYFFYISIP-LIRRHRJNSA-N 1 0 343.423 2.823 40 0 in-vitro EFABRO C[C@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1cnccn1 ZINC000090468764 472624001 /nfs/dbraw/zinc/62/40/01/472624001.db2.gz GQKFXJNHHNUBBI-HNNXBMFYSA-N 1 0 345.878 2.603 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCC[NH2+]2)CC1 ZINC000072216474 472634767 /nfs/dbraw/zinc/63/47/67/472634767.db2.gz JETVYJRZYKTTOY-INIZCTEOSA-N 1 0 346.475 2.953 40 0 EFABRO COc1ccc(CCC(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090700043 472653342 /nfs/dbraw/zinc/65/33/42/472653342.db2.gz DSMYPDOQSYNKIC-INIZCTEOSA-N 1 0 336.501 2.524 40 0 EFABRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000156000289 472653707 /nfs/dbraw/zinc/65/37/07/472653707.db2.gz NVTJJBVFLUBCPN-LLVKDONJSA-N 1 0 337.445 2.556 40 0 EFABRO Cc1csc(N2CCC([NH2+]C[C@@]3(O)CCc4ccccc43)CC2)n1 ZINC000090780027 472656746 /nfs/dbraw/zinc/65/67/46/472656746.db2.gz YPIYAWWOIIMIBY-IBGZPJMESA-N 1 0 343.496 2.844 40 0 EFABRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(OC(F)F)c1 ZINC000090882654 472663245 /nfs/dbraw/zinc/66/32/45/472663245.db2.gz RENWPOWJNKSIHY-LLVKDONJSA-N 1 0 333.400 2.763 40 0 EFABRO Cn1cc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000156217679 472678464 /nfs/dbraw/zinc/67/84/64/472678464.db2.gz NALKGIBYIXBWKL-GOSISDBHSA-N 1 0 327.432 2.596 40 0 EFABRO c1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000078394278 472710381 /nfs/dbraw/zinc/71/03/81/472710381.db2.gz ZCYOIRDTNVAWDO-LJQANCHMSA-N 1 0 338.455 2.871 40 0 EFABRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120770462 472743755 /nfs/dbraw/zinc/74/37/55/472743755.db2.gz OCEBEGWGCMYOCL-LBPRGKRZSA-N 1 0 348.422 2.706 40 0 EFABRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120770641 472744217 /nfs/dbraw/zinc/74/42/17/472744217.db2.gz OCEBEGWGCMYOCL-GFCCVEGCSA-N 1 0 348.422 2.706 40 0 EFABRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000091335802 472756836 /nfs/dbraw/zinc/75/68/36/472756836.db2.gz SXOLMUXPKFXFCP-ZFWWWQNUSA-N 1 0 346.452 2.551 40 0 EFABRO O[C@@H](C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000091630549 472787398 /nfs/dbraw/zinc/78/73/98/472787398.db2.gz YPNQCGZQYMBYRB-YOEHRIQHSA-N 1 0 330.407 2.665 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H](CO)c2ccc(Cl)c(F)c2)CC1 ZINC000133346472 472793994 /nfs/dbraw/zinc/79/39/94/472793994.db2.gz FNGWTHULAVIKIM-ZUEPYMLJSA-N 1 0 328.815 2.549 40 0 EFABRO CC[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C(N)=O ZINC000079029803 472808906 /nfs/dbraw/zinc/80/89/06/472808906.db2.gz NPHGUWLWSFUGKS-CQSZACIVSA-N 1 0 344.377 2.607 40 0 EFABRO Cc1ccc([C@H](CNC(=O)CSc2ccncc2)[NH+](C)C)cc1 ZINC000079122092 472823040 /nfs/dbraw/zinc/82/30/40/472823040.db2.gz PMCPLJMRQQLSCE-KRWDZBQOSA-N 1 0 329.469 2.901 40 0 EFABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)COc1ccc(Cl)cc1 ZINC000073642441 472845739 /nfs/dbraw/zinc/84/57/39/472845739.db2.gz RONUHNYSNOAOOJ-UHFFFAOYSA-N 1 0 329.787 2.767 40 0 EFABRO CCOC(=O)c1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000048331632 472858590 /nfs/dbraw/zinc/85/85/90/472858590.db2.gz NBDGSXYYRKZGOV-UHFFFAOYSA-N 1 0 333.432 2.717 40 0 EFABRO O=C(CN(Cc1cccc(F)c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508784 472860285 /nfs/dbraw/zinc/86/02/85/472860285.db2.gz VYJQTKNMWZWNOH-UHFFFAOYSA-N 1 0 345.462 2.533 40 0 EFABRO O=C(CN(Cc1ccco1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508672 472860530 /nfs/dbraw/zinc/86/05/30/472860530.db2.gz ZVOJHVVKMKTMAT-UHFFFAOYSA-N 1 0 345.487 2.767 40 0 EFABRO C[N@H+](CCCc1ccccc1)CC(=O)NC(=O)Nc1ccccc1 ZINC000048367520 472867492 /nfs/dbraw/zinc/86/74/92/472867492.db2.gz YGQHYKBMKRQCMZ-UHFFFAOYSA-N 1 0 325.412 2.899 40 0 EFABRO CCc1noc(C)c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000073826240 472884979 /nfs/dbraw/zinc/88/49/79/472884979.db2.gz DVDNDKLYLUGAIN-UHFFFAOYSA-N 1 0 331.416 2.875 40 0 EFABRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714866 472897688 /nfs/dbraw/zinc/89/76/88/472897688.db2.gz MRDYSRGTRDKAFA-ABAIWWIYSA-N 1 0 329.366 2.932 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000107207621 472933884 /nfs/dbraw/zinc/93/38/84/472933884.db2.gz NJADOERGYDHRNC-RYRKJORJSA-N 1 0 345.468 2.795 40 0 EFABRO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](C3CCOCC3)C2)o1 ZINC000049170049 472933858 /nfs/dbraw/zinc/93/38/58/472933858.db2.gz YCWWVPRUQQNQRC-ZDUSSCGKSA-N 1 0 329.400 2.714 40 0 biogenic,in-vitro EFABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000107229004 472934530 /nfs/dbraw/zinc/93/45/30/472934530.db2.gz DBIIQEDIFLRMMA-UXHICEINSA-N 1 0 339.439 2.988 40 0 EFABRO Fc1cccnc1N[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000107228463 472935662 /nfs/dbraw/zinc/93/56/62/472935662.db2.gz GSSPPWWXHLZPLB-APWZRJJASA-N 1 0 342.418 2.851 40 0 EFABRO Fc1cccnc1N[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000107228456 472935766 /nfs/dbraw/zinc/93/57/66/472935766.db2.gz GSSPPWWXHLZPLB-VQIMIIECSA-N 1 0 342.418 2.851 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107730861 472978567 /nfs/dbraw/zinc/97/85/67/472978567.db2.gz IVEJELFOAQESEA-QAPCUYQASA-N 1 0 328.416 2.614 40 0 EFABRO Fc1ccc(CN2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738797 472980119 /nfs/dbraw/zinc/98/01/19/472980119.db2.gz UBJDVHBBLSDMBF-AZUAARDMSA-N 1 0 348.462 2.529 40 0 EFABRO C[NH+]1CCN(Cc2cccc(NCc3cn4ccccc4n3)c2)CC1 ZINC000080196277 472995034 /nfs/dbraw/zinc/99/50/34/472995034.db2.gz ZJYJUDIDPNSNRJ-UHFFFAOYSA-N 1 0 335.455 2.694 40 0 EFABRO COCCNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108528754 473035519 /nfs/dbraw/zinc/03/55/19/473035519.db2.gz HCMCOVBFOGMSKY-APWZRJJASA-N 1 0 334.435 2.581 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108526618 473035799 /nfs/dbraw/zinc/03/57/99/473035799.db2.gz YKCLXSDABQWLJA-YLJYHZDGSA-N 1 0 343.471 2.936 40 0 EFABRO COc1cccc(C[NH+]2CCC3(CC(Nc4ncccn4)C3)CC2)n1 ZINC000108532012 473035860 /nfs/dbraw/zinc/03/58/60/473035860.db2.gz VEJPSUXUCKJXSH-UHFFFAOYSA-N 1 0 339.443 2.737 40 0 EFABRO COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3C)CC2)C1=O ZINC000108526372 473036300 /nfs/dbraw/zinc/03/63/00/473036300.db2.gz WZOJPPACCGVSIT-FQEVSTJZSA-N 1 0 348.462 2.985 40 0 EFABRO COCCN1CCCC2(CC[NH+](Cc3cc(F)ccc3C)CC2)C1=O ZINC000108531814 473036475 /nfs/dbraw/zinc/03/64/75/473036475.db2.gz GXOPALQUVHLZGS-UHFFFAOYSA-N 1 0 348.462 2.985 40 0 EFABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000108532770 473037360 /nfs/dbraw/zinc/03/73/60/473037360.db2.gz NMTLJINGYAINJD-INIZCTEOSA-N 1 0 349.450 2.611 40 0 EFABRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 ZINC000074944762 473102637 /nfs/dbraw/zinc/10/26/37/473102637.db2.gz SHJNFZOJCJWTHF-NSHDSACASA-N 1 0 345.365 2.663 40 0 EFABRO CC(=O)N1CCC([NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000110704655 473172039 /nfs/dbraw/zinc/17/20/39/473172039.db2.gz IIEFULJFXVXEPX-ROUUACIJSA-N 1 0 335.879 2.686 40 0 EFABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000136909195 473184933 /nfs/dbraw/zinc/18/49/33/473184933.db2.gz KZKDJFFFLUEKPQ-DNVCBOLYSA-N 1 0 339.439 2.894 40 0 EFABRO O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000095405365 473198463 /nfs/dbraw/zinc/19/84/63/473198463.db2.gz DYDQLEBLACJIKA-MOPGFXCFSA-N 1 0 349.519 2.852 40 0 EFABRO C[C@H]([NH2+]Cc1cccnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC000095421770 473201417 /nfs/dbraw/zinc/20/14/17/473201417.db2.gz JMFPVLVYZOLRDW-ZFWWWQNUSA-N 1 0 344.484 2.696 40 0 EFABRO COc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414888 473394231 /nfs/dbraw/zinc/39/42/31/473394231.db2.gz GBWPDXUUCNYZKI-RDJZCZTQSA-N 1 0 339.439 2.584 40 0 EFABRO Cc1cc(NC(=O)[C@H]2CCCO2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190796285 473396272 /nfs/dbraw/zinc/39/62/72/473396272.db2.gz DQKAHXKZNJWZSF-GOSISDBHSA-N 1 0 331.460 2.643 40 0 EFABRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000096418412 473397968 /nfs/dbraw/zinc/39/79/68/473397968.db2.gz QXQWTMVKWHBYRU-BJMVGYQFSA-N 1 0 341.386 2.638 40 0 EFABRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419715 473398568 /nfs/dbraw/zinc/39/85/68/473398568.db2.gz PFWALTLLWHESNK-JKSUJKDBSA-N 1 0 348.491 2.645 40 0 EFABRO COc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000096421880 473400088 /nfs/dbraw/zinc/40/00/88/473400088.db2.gz SOOXHWNJAZNHBM-USXIJHARSA-N 1 0 329.444 2.952 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000096421582 473400910 /nfs/dbraw/zinc/40/09/10/473400910.db2.gz MJDNARJFRRAVJM-UAGQMJEPSA-N 1 0 349.450 2.500 40 0 EFABRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1F ZINC000096426436 473404905 /nfs/dbraw/zinc/40/49/05/473404905.db2.gz ZJQNWCKUFJVASA-AWEZNQCLSA-N 1 0 335.423 2.634 40 0 EFABRO Fc1ccc2ccc(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)nc2c1 ZINC000096427306 473407297 /nfs/dbraw/zinc/40/72/97/473407297.db2.gz RULUYJCLMMASKC-CRAIPNDOSA-N 1 0 345.418 2.523 40 0 EFABRO C[C@@H]1CCN(C(=O)CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000096433126 473411911 /nfs/dbraw/zinc/41/19/11/473411911.db2.gz RNBTYKOFADXXDY-QGZVFWFLSA-N 1 0 330.472 2.926 40 0 EFABRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000096435687 473414702 /nfs/dbraw/zinc/41/47/02/473414702.db2.gz ORZQFRXIYUAZHA-IUYMFKLXSA-N 1 0 341.499 2.718 40 0 EFABRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cn[nH]c1 ZINC000096435673 473415406 /nfs/dbraw/zinc/41/54/06/473415406.db2.gz XJMXNSGBNDSLKH-MRXNPFEDSA-N 1 0 327.432 2.786 40 0 EFABRO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000096439888 473418467 /nfs/dbraw/zinc/41/84/67/473418467.db2.gz GYXGQRAMSJKWEF-OAHLLOKOSA-N 1 0 329.448 2.573 40 0 EFABRO CC[NH+]1CCN(CCC(=O)NC2CC(c3cccc(Cl)c3)C2)CC1 ZINC000096440926 473419354 /nfs/dbraw/zinc/41/93/54/473419354.db2.gz TUYDCYPUKGBINR-UHFFFAOYSA-N 1 0 349.906 2.730 40 0 EFABRO O=C(c1cnc2ccccc2n1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450196 473427261 /nfs/dbraw/zinc/42/72/61/473427261.db2.gz RBZJWUYTACLKKT-QMTMVMCOSA-N 1 0 336.439 2.576 40 0 EFABRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC000096461844 473433158 /nfs/dbraw/zinc/43/31/58/473433158.db2.gz CVRBCIPGIPFITP-INIZCTEOSA-N 1 0 326.462 2.933 40 0 EFABRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000096461937 473434306 /nfs/dbraw/zinc/43/43/06/473434306.db2.gz DAXGSWATMUXOHS-KDOFPFPSSA-N 1 0 336.863 2.972 40 0 EFABRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476457 473439346 /nfs/dbraw/zinc/43/93/46/473439346.db2.gz DHOJUGKNSLRKBS-BEFAXECRSA-N 1 0 329.419 2.945 40 0 EFABRO Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000096479229 473440356 /nfs/dbraw/zinc/44/03/56/473440356.db2.gz HFVDKSORJPLRKB-CYBMUJFWSA-N 1 0 345.384 2.863 40 0 EFABRO C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000096481288 473440457 /nfs/dbraw/zinc/44/04/57/473440457.db2.gz CQPUWCKSAKXXDN-ZOCIIQOWSA-N 1 0 342.414 2.684 40 0 EFABRO Cc1cnn(CC[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190966849 473442846 /nfs/dbraw/zinc/44/28/46/473442846.db2.gz FSVDXHOSFJRKBC-QGZVFWFLSA-N 1 0 326.444 2.512 40 0 EFABRO O=C([C@H]1CCC[N@H+](Cc2coc3ccccc23)C1)N1CCOCC1 ZINC000096489561 473446618 /nfs/dbraw/zinc/44/66/18/473446618.db2.gz DFIFRVXFIOXWPL-HNNXBMFYSA-N 1 0 328.412 2.504 40 0 EFABRO CN(Cc1nccn1C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000096491903 473447803 /nfs/dbraw/zinc/44/78/03/473447803.db2.gz IKHPLEYFMPXTSH-HNNXBMFYSA-N 1 0 349.866 2.518 40 0 EFABRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000096490855 473448159 /nfs/dbraw/zinc/44/81/59/473448159.db2.gz XXBDOCVVWJQFKR-GFCCVEGCSA-N 1 0 332.425 2.752 40 0 EFABRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2nc(C)no2)CC1 ZINC000096491339 473448289 /nfs/dbraw/zinc/44/82/89/473448289.db2.gz KXOQNGWKWWUVEJ-CYBMUJFWSA-N 1 0 347.438 2.510 40 0 EFABRO CN(C(=O)C1CC[NH+](CCCn2ccnc2)CC1)c1ccccc1 ZINC000096493099 473448796 /nfs/dbraw/zinc/44/87/96/473448796.db2.gz APQSGLXPEREDEC-UHFFFAOYSA-N 1 0 326.444 2.648 40 0 EFABRO COc1cccc2cc([C@@H](C)[NH2+]CC3CCS(=O)(=O)CC3)oc21 ZINC000096493495 473449149 /nfs/dbraw/zinc/44/91/49/473449149.db2.gz CLJFKJHGZFXAGY-GFCCVEGCSA-N 1 0 337.441 2.917 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000096493020 473449773 /nfs/dbraw/zinc/44/97/73/473449773.db2.gz DLJWKIZEFOKXEL-QGZVFWFLSA-N 1 0 332.444 2.554 40 0 EFABRO CC[C@@H](C)Oc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000096494935 473451127 /nfs/dbraw/zinc/45/11/27/473451127.db2.gz WGQRNJPOFDYDKK-OAHLLOKOSA-N 1 0 340.427 2.616 40 0 EFABRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000096499770 473451436 /nfs/dbraw/zinc/45/14/36/473451436.db2.gz KJZIICMAGKMOKZ-LZLYRXPVSA-N 1 0 343.471 2.678 40 0 EFABRO COC(=O)c1cccnc1N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000096503045 473454970 /nfs/dbraw/zinc/45/49/70/473454970.db2.gz JWQFAFQMNVIHTM-CQSZACIVSA-N 1 0 326.400 2.510 40 0 EFABRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000152022002 473517689 /nfs/dbraw/zinc/51/76/89/473517689.db2.gz GRQPFWOGASVROY-GOSISDBHSA-N 1 0 344.386 2.722 40 0 EFABRO COC[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000126504713 473522147 /nfs/dbraw/zinc/52/21/47/473522147.db2.gz UJFPOXGMMZKHLS-OCCSQVGLSA-N 1 0 344.249 2.602 40 0 EFABRO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169295222 473547546 /nfs/dbraw/zinc/54/75/46/473547546.db2.gz BYZIUDKSAIYKBZ-RCCFBDPRSA-N 1 0 346.496 2.514 40 0 EFABRO CCOc1ccc(NC(=O)CN2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000178805002 473567366 /nfs/dbraw/zinc/56/73/66/473567366.db2.gz PKGNHGOUEVAMMI-SFHVURJKSA-N 1 0 343.471 2.750 40 0 EFABRO Cn1ccnc1CC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192007040 473604095 /nfs/dbraw/zinc/60/40/95/473604095.db2.gz GOQWGOBXIURQQO-GOSISDBHSA-N 1 0 338.455 2.628 40 0 EFABRO CC(C)CC[NH+]1CCC(CNC(=O)c2cnn3c2CCCC3)CC1 ZINC000127651869 473637593 /nfs/dbraw/zinc/63/75/93/473637593.db2.gz DZNLNVDGPJQETH-UHFFFAOYSA-N 1 0 332.492 2.707 40 0 EFABRO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)C2=O)n1 ZINC000127983603 473669472 /nfs/dbraw/zinc/66/94/72/473669472.db2.gz ULKRQDQKSYNWNT-XQQFMLRXSA-N 1 0 344.381 2.626 40 0 EFABRO C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186496185 473682006 /nfs/dbraw/zinc/68/20/06/473682006.db2.gz SSOXHVQFKSTVGN-DNVCBOLYSA-N 1 0 349.438 2.689 40 0 EFABRO Cc1cc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)s1 ZINC000245860026 473752574 /nfs/dbraw/zinc/75/25/74/473752574.db2.gz IFHOXYBHQNZMTC-DYEKYZERSA-N 1 0 339.505 2.522 40 0 EFABRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000179976883 473767317 /nfs/dbraw/zinc/76/73/17/473767317.db2.gz DFULEHKBTAJYEK-HKUYNNGSSA-N 1 0 345.464 2.948 40 0 EFABRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000179976907 473768056 /nfs/dbraw/zinc/76/80/56/473768056.db2.gz DFULEHKBTAJYEK-MJGOQNOKSA-N 1 0 345.464 2.948 40 0 EFABRO CC(=O)c1ccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000180434217 473877051 /nfs/dbraw/zinc/87/70/51/473877051.db2.gz OMWJUWFBPIJLDC-HUUCEWRRSA-N 1 0 331.460 2.610 40 0 EFABRO Cc1ccc(Cl)cc1N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000173625071 473894990 /nfs/dbraw/zinc/89/49/90/473894990.db2.gz IPKYHCIPVATDDV-UHFFFAOYSA-N 1 0 335.879 2.639 40 0 EFABRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061036 473968478 /nfs/dbraw/zinc/96/84/78/473968478.db2.gz ODWZEEZHKXXFOL-MLGOLLRUSA-N 1 0 346.862 2.881 40 0 EFABRO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(O)c2)ncn1 ZINC000194921540 473975233 /nfs/dbraw/zinc/97/52/33/473975233.db2.gz VVFGZQLJTZRXHY-HIFRSBDPSA-N 1 0 327.432 2.544 40 0 EFABRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(O)c2)ncn1 ZINC000194921564 473976225 /nfs/dbraw/zinc/97/62/25/473976225.db2.gz VVFGZQLJTZRXHY-UKRRQHHQSA-N 1 0 327.432 2.544 40 0 EFABRO CSC1(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000194971485 473985341 /nfs/dbraw/zinc/98/53/41/473985341.db2.gz IINZVIFTRIUKIC-UHFFFAOYSA-N 1 0 339.480 2.972 40 0 EFABRO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000195530181 474089576 /nfs/dbraw/zinc/08/95/76/474089576.db2.gz VDHWOMOEMMJAEW-YSIASYRMSA-N 1 0 342.483 2.669 40 0 EFABRO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000195531471 474090446 /nfs/dbraw/zinc/09/04/46/474090446.db2.gz JULYSHLLHHODDO-IEBWSBKVSA-N 1 0 330.472 2.671 40 0 EFABRO O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)[C@H]1C[NH2+]CCO1 ZINC000195543281 474091112 /nfs/dbraw/zinc/09/11/12/474091112.db2.gz YFVNANHNQKHKQS-SJORKVTESA-N 1 0 348.805 2.673 40 0 EFABRO COc1ccc(C2(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000195539953 474091361 /nfs/dbraw/zinc/09/13/61/474091361.db2.gz CFXVUTXQYGJIPI-SJORKVTESA-N 1 0 343.471 2.605 40 0 EFABRO [NH3+]CCCOC1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000195536816 474092037 /nfs/dbraw/zinc/09/20/37/474092037.db2.gz LMAAEYISOBIACB-UHFFFAOYSA-N 1 0 348.340 2.815 40 0 EFABRO C[C@@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000195543431 474092194 /nfs/dbraw/zinc/09/21/94/474092194.db2.gz WFXVYEMKVRTUTF-DNVCBOLYSA-N 1 0 346.471 2.509 40 0 EFABRO CO[C@@H](C)c1nc(CN(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)cs1 ZINC000195543847 474092444 /nfs/dbraw/zinc/09/24/44/474092444.db2.gz ZQBAVIZWCSHDIT-BLLLJJGKSA-N 1 0 345.468 2.696 40 0 EFABRO C[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CCOC[C@@H]1C ZINC000195553573 474094214 /nfs/dbraw/zinc/09/42/14/474094214.db2.gz NJJJICSXICCCBT-FUHIMQAGSA-N 1 0 325.456 2.870 40 0 EFABRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000195554486 474094596 /nfs/dbraw/zinc/09/45/96/474094596.db2.gz QCRFSTKKDNANQQ-JYJNAYRXSA-N 1 0 348.491 2.884 40 0 EFABRO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000195554505 474094918 /nfs/dbraw/zinc/09/49/18/474094918.db2.gz JSPOWVULJIRHAV-SJORKVTESA-N 1 0 331.460 2.629 40 0 EFABRO COc1ccccc1N1CCC[C@@H]([NH2+]C2CCC(OC)CC2)C1=O ZINC000195560473 474095679 /nfs/dbraw/zinc/09/56/79/474095679.db2.gz VDJPLIGTKSWVDX-UYSNPLJNSA-N 1 0 332.444 2.738 40 0 EFABRO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000195569955 474097454 /nfs/dbraw/zinc/09/74/54/474097454.db2.gz AGNBXKGMVCNJNB-CQSZACIVSA-N 1 0 326.404 2.943 40 0 EFABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000195566257 474097491 /nfs/dbraw/zinc/09/74/91/474097491.db2.gz DAMFBBBDDJADGM-WBVHZDCISA-N 1 0 328.460 2.705 40 0 EFABRO C[C@@H](C[NH2+]CC1(S(C)(=O)=O)CCOCC1)c1cccc(Cl)c1 ZINC000195573149 474099289 /nfs/dbraw/zinc/09/92/89/474099289.db2.gz IMVRDRLLRCXERV-ZDUSSCGKSA-N 1 0 345.892 2.627 40 0 EFABRO COC[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218443867 474144657 /nfs/dbraw/zinc/14/46/57/474144657.db2.gz CMCXQBLTVDMMBV-CEXWTWQISA-N 1 0 345.464 2.526 40 0 EFABRO COc1ccc(F)c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1OC ZINC000188674061 474161125 /nfs/dbraw/zinc/16/11/25/474161125.db2.gz WJPXRAJQDUJYMV-CYBMUJFWSA-N 1 0 338.423 2.837 40 0 EFABRO C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000222202933 474166651 /nfs/dbraw/zinc/16/66/51/474166651.db2.gz JBVCATTYCGLWHJ-CGTJXYLNSA-N 1 0 326.440 2.745 40 0 EFABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)[nH]1 ZINC000223248604 474182433 /nfs/dbraw/zinc/18/24/33/474182433.db2.gz XRFMPGHEMIAVOY-DLBZAZTESA-N 1 0 343.500 2.642 40 0 EFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 ZINC000223252619 474182594 /nfs/dbraw/zinc/18/25/94/474182594.db2.gz QJDOVPACXUQICN-GJZGRUSLSA-N 1 0 332.498 2.677 40 0 EFABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)s1 ZINC000223253142 474182662 /nfs/dbraw/zinc/18/26/62/474182662.db2.gz QFTWNQWPNFVBNJ-HZPDHXFCSA-N 1 0 346.525 2.986 40 0 EFABRO CCCOc1cccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282802051 474200266 /nfs/dbraw/zinc/20/02/66/474200266.db2.gz SWYYDSFFVNPHFY-UHFFFAOYSA-N 1 0 348.491 2.623 40 0 EFABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccco1 ZINC000275483735 474203497 /nfs/dbraw/zinc/20/34/97/474203497.db2.gz OATGHKWLXVUWDB-HOCLYGCPSA-N 1 0 332.425 2.585 40 0 EFABRO S=C(NC1CCCC1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225211910 474203801 /nfs/dbraw/zinc/20/38/01/474203801.db2.gz ITZLGEXYYUNKNM-UHFFFAOYSA-N 1 0 329.513 2.589 40 0 EFABRO S=C(NCc1ccco1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225231190 474205257 /nfs/dbraw/zinc/20/52/57/474205257.db2.gz LCEAEGHJOBNXQF-UHFFFAOYSA-N 1 0 335.498 2.970 40 0 EFABRO O=C1CCCN1c1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1 ZINC000225434319 474211515 /nfs/dbraw/zinc/21/15/15/474211515.db2.gz KONDHERGSIPVFJ-UHFFFAOYSA-N 1 0 346.500 2.586 40 0 EFABRO COCCO[C@@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000247826292 474214170 /nfs/dbraw/zinc/21/41/70/474214170.db2.gz FZFZHVFIHFJOAS-ZWKOTPCHSA-N 1 0 332.469 2.992 40 0 EFABRO C[NH2+]CC(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000225473381 474215254 /nfs/dbraw/zinc/21/52/54/474215254.db2.gz WTSOBKWCZQVITQ-GOSISDBHSA-N 1 0 348.830 2.782 40 0 EFABRO COc1ccccc1COC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000225484264 474215993 /nfs/dbraw/zinc/21/59/93/474215993.db2.gz JXDUTXJYDVNDHY-UHFFFAOYSA-N 1 0 348.834 2.906 40 0 EFABRO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000225474317 474217063 /nfs/dbraw/zinc/21/70/63/474217063.db2.gz NHLRZTZIHCYDNL-KFWWJZLASA-N 1 0 342.361 2.733 40 0 EFABRO [NH3+][C@@H](CC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476456 474217072 /nfs/dbraw/zinc/21/70/72/474217072.db2.gz XOUZHTTVFNLXDP-ZWKOTPCHSA-N 1 0 328.387 2.816 40 0 EFABRO O=C(CC1=CCCCC1)N1Cc2ccnn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247856516 474217201 /nfs/dbraw/zinc/21/72/01/474217201.db2.gz KVYUEWZVIDONSO-SFHVURJKSA-N 1 0 328.460 2.753 40 0 EFABRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000225492825 474217533 /nfs/dbraw/zinc/21/75/33/474217533.db2.gz PCNKWTNYRSCVSE-FUHWJXTLSA-N 1 0 337.508 2.852 40 0 EFABRO Cc1cccc(COC[C@@H]2C[N@H+](CC3CCC3)Cc3ccnn32)n1 ZINC000247867378 474218408 /nfs/dbraw/zinc/21/84/08/474218408.db2.gz JSAGUWRDUNUIDZ-IBGZPJMESA-N 1 0 326.444 2.960 40 0 EFABRO c1ccc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)nc1 ZINC000247879492 474220137 /nfs/dbraw/zinc/22/01/37/474220137.db2.gz PLZZMIGDWZRXFH-MISYRCLQSA-N 1 0 339.439 2.673 40 0 EFABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000225562134 474224980 /nfs/dbraw/zinc/22/49/80/474224980.db2.gz FPZJIKRCTKDPLF-UHFFFAOYSA-N 1 0 336.863 2.961 40 0 EFABRO CN(C)c1cccc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000225568745 474225703 /nfs/dbraw/zinc/22/57/03/474225703.db2.gz TWJISPXRLTVYTI-SFHVURJKSA-N 1 0 347.528 2.700 40 0 EFABRO COc1ccc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000225567615 474225996 /nfs/dbraw/zinc/22/59/96/474225996.db2.gz OAOISRSCOHENNS-INIZCTEOSA-N 1 0 334.485 2.643 40 0 EFABRO Cc1nccn1C[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 ZINC000225596984 474228255 /nfs/dbraw/zinc/22/82/55/474228255.db2.gz OGLCMXIPMLOJQO-ZDUSSCGKSA-N 1 0 326.429 2.774 40 0 EFABRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2nc(C)cnc2C)C1 ZINC000225603452 474229550 /nfs/dbraw/zinc/22/95/50/474229550.db2.gz SRISPMLQGMOWBZ-HNNXBMFYSA-N 1 0 331.489 2.817 40 0 EFABRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000225631458 474230327 /nfs/dbraw/zinc/23/03/27/474230327.db2.gz WSPXGECMPKPNEP-SMDDNHRTSA-N 1 0 346.290 2.547 40 0 EFABRO O=C(Cc1cccc(Br)c1)NCCC[NH+]1CCCC1 ZINC000225617438 474230579 /nfs/dbraw/zinc/23/05/79/474230579.db2.gz YSQAAKAFKBMCRQ-UHFFFAOYSA-N 1 0 325.250 2.594 40 0 EFABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225643522 474231895 /nfs/dbraw/zinc/23/18/95/474231895.db2.gz AAORZBBITHLXRW-LJQANCHMSA-N 1 0 332.444 2.915 40 0 EFABRO COc1cccc2c(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)ccnc12 ZINC000225644597 474232529 /nfs/dbraw/zinc/23/25/29/474232529.db2.gz BVCXKMRVYNXTSL-OAHLLOKOSA-N 1 0 341.455 2.933 40 0 EFABRO Cc1occc1C(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCCC1)CO2 ZINC000248027369 474247590 /nfs/dbraw/zinc/24/75/90/474247590.db2.gz OESNOGBIRWSHNH-INIZCTEOSA-N 1 0 332.444 2.695 40 0 EFABRO Cc1nc(CO[C@H]2Cn3nccc3C[N@@H+](C3CCCC3)C2)cs1 ZINC000248033872 474248547 /nfs/dbraw/zinc/24/85/47/474248547.db2.gz MOHVSRRXCYWAKT-QGZVFWFLSA-N 1 0 332.473 2.992 40 0 EFABRO CCOc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228932756 474251377 /nfs/dbraw/zinc/25/13/77/474251377.db2.gz UWNCKIKFCMWKIW-UHFFFAOYSA-N 1 0 338.415 2.893 40 0 EFABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000248080119 474257169 /nfs/dbraw/zinc/25/71/69/474257169.db2.gz AIJAPGWTKHTUHH-HNNXBMFYSA-N 1 0 334.435 2.565 40 0 EFABRO c1nc2n(n1)CCC[C@H]2N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230463196 474261040 /nfs/dbraw/zinc/26/10/40/474261040.db2.gz FLESUZALCHSUTR-ZSYWTGECSA-N 1 0 337.471 2.613 40 0 EFABRO COc1ccccc1CN1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000248142849 474269134 /nfs/dbraw/zinc/26/91/34/474269134.db2.gz QSTGYMVACKOTGD-QGZVFWFLSA-N 1 0 340.423 2.760 40 0 EFABRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000248711252 474410505 /nfs/dbraw/zinc/41/05/05/474410505.db2.gz COWPMABXBYXKIK-FHWLQOOXSA-N 1 0 327.472 2.950 40 0 EFABRO CC(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000283647193 474457118 /nfs/dbraw/zinc/45/71/18/474457118.db2.gz ZASXBZMCENLZOS-UHFFFAOYSA-N 1 0 328.464 2.527 40 0 EFABRO COc1ccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000238860312 474542238 /nfs/dbraw/zinc/54/22/38/474542238.db2.gz KNORWDOSBUVVGN-IBGZPJMESA-N 1 0 336.435 2.968 40 0 EFABRO O[C@@]1(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CCSC1 ZINC000240626717 474550835 /nfs/dbraw/zinc/55/08/35/474550835.db2.gz HIXDRSRQPPRPST-GFCCVEGCSA-N 1 0 325.327 2.682 40 0 EFABRO C[C@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000249289767 474552422 /nfs/dbraw/zinc/55/24/22/474552422.db2.gz VFGWUMDRYMDIQI-QWFCFKBJSA-N 1 0 345.487 2.644 40 0 EFABRO C[NH2+]CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000241124333 474553557 /nfs/dbraw/zinc/55/35/57/474553557.db2.gz JHJWXMBQERJCCG-CQSZACIVSA-N 1 0 325.412 2.678 40 0 EFABRO Cn1nccc1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000241316783 474554697 /nfs/dbraw/zinc/55/46/97/474554697.db2.gz LUWOZZGAHDBNHZ-GFCCVEGCSA-N 1 0 340.349 2.687 40 0 EFABRO NCC[N@H+](C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242614895 474561131 /nfs/dbraw/zinc/56/11/31/474561131.db2.gz PLGLNKBBQXNZGL-QAQDUYKDSA-N 1 0 331.460 2.647 40 0 EFABRO COc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242723088 474561654 /nfs/dbraw/zinc/56/16/54/474561654.db2.gz YDPRFBSUSXTTCJ-RCCFBDPRSA-N 1 0 331.437 2.518 40 0 EFABRO O=C(/C=C/c1ccoc1)NC[C@@H](c1ccoc1)N1CCSCC1 ZINC000245020838 474569640 /nfs/dbraw/zinc/56/96/40/474569640.db2.gz MJTNJXXLMDQOIW-INIZCTEOSA-N 1 0 332.425 2.792 40 0 EFABRO O=C(COc1ccccc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000244970276 474570125 /nfs/dbraw/zinc/57/01/25/474570125.db2.gz HQVPMXFIWJELLD-UHFFFAOYSA-N 1 0 348.512 2.789 40 0 EFABRO COc1ccc(CCNC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245224823 474571761 /nfs/dbraw/zinc/57/17/61/474571761.db2.gz FWSQFPQSUBOLNV-HZPDHXFCSA-N 1 0 349.544 2.965 40 0 EFABRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000245344191 474574909 /nfs/dbraw/zinc/57/49/09/474574909.db2.gz XZYATIYBAAKDJK-LSDHHAIUSA-N 1 0 344.377 2.514 40 0 EFABRO C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272996424 474661233 /nfs/dbraw/zinc/66/12/33/474661233.db2.gz QRYKBHSRFDPKCB-OAHLLOKOSA-N 1 0 344.455 2.625 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1F ZINC000252477341 474662203 /nfs/dbraw/zinc/66/22/03/474662203.db2.gz MJDNARJFRRAVJM-DJIMGWMZSA-N 1 0 349.450 2.500 40 0 EFABRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000252486603 474672627 /nfs/dbraw/zinc/67/26/27/474672627.db2.gz MHWBMHSPRZHPSB-BWTSREIZSA-N 1 0 328.456 2.824 40 0 EFABRO [NH3+][C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514465 474690318 /nfs/dbraw/zinc/69/03/18/474690318.db2.gz CNJSFLJDHFMEFR-RBSFLKMASA-N 1 0 325.792 2.746 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(CCO)cc1 ZINC000252584917 474697773 /nfs/dbraw/zinc/69/77/73/474697773.db2.gz DTYQXVLCKIQUCK-OXJNMPFZSA-N 1 0 325.456 2.939 40 0 EFABRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)C(F)(F)F ZINC000252585081 474699719 /nfs/dbraw/zinc/69/97/19/474699719.db2.gz FXWDRVDOODGFDE-CLWVCHIJSA-N 1 0 330.394 2.656 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000253370274 474727557 /nfs/dbraw/zinc/72/75/57/474727557.db2.gz ONXYHBVYGPYILE-BRWVUGGUSA-N 1 0 336.476 2.791 40 0 EFABRO c1snnc1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370136 474727758 /nfs/dbraw/zinc/72/77/58/474727758.db2.gz MOODXJKMMJJRAQ-CGTJXYLNSA-N 1 0 328.485 2.928 40 0 EFABRO COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000253370601 474728023 /nfs/dbraw/zinc/72/80/23/474728023.db2.gz SZJBLFAIOLAPSK-NONVJHHQSA-N 1 0 344.455 2.594 40 0 EFABRO Cc1cc(N2CCC(CNC(=O)c3cc(C4CC4)on3)CC2)cc[nH+]1 ZINC000253395357 474734953 /nfs/dbraw/zinc/73/49/53/474734953.db2.gz BVMSTGRFGNIVMB-UHFFFAOYSA-N 1 0 340.427 2.902 40 0 EFABRO O=C(CN1CC[NH+](CCCCCF)CC1)Nc1ccccc1F ZINC000253416333 474742444 /nfs/dbraw/zinc/74/24/44/474742444.db2.gz CRWVAVPCCUWPJC-UHFFFAOYSA-N 1 0 325.403 2.522 40 0 EFABRO Cc1nc(CC[NH+]2CCC(NC(=O)c3ccsc3)CC2)cs1 ZINC000253416856 474743296 /nfs/dbraw/zinc/74/32/96/474743296.db2.gz CVQDLILXOIUZMA-UHFFFAOYSA-N 1 0 335.498 2.950 40 0 EFABRO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418723 474744052 /nfs/dbraw/zinc/74/40/52/474744052.db2.gz NFPXDKKIGMYRHH-CYBMUJFWSA-N 1 0 340.349 2.985 40 0 EFABRO C[N@@H+]1CCCN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000253419239 474747947 /nfs/dbraw/zinc/74/79/47/474747947.db2.gz KXZXPGCOJUPTGT-HNNXBMFYSA-N 1 0 343.393 2.897 40 0 EFABRO COc1cc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cc2c1OCCO2 ZINC000253422923 474749778 /nfs/dbraw/zinc/74/97/78/474749778.db2.gz JOQVYTFHXRIOIZ-LLVKDONJSA-N 1 0 331.416 2.668 40 0 EFABRO COc1ccnc(C[NH+]2CCC(Cc3cccnc3)CC2)c1OC ZINC000253427828 474753077 /nfs/dbraw/zinc/75/30/77/474753077.db2.gz FCEOQIIKJAPGLP-UHFFFAOYSA-N 1 0 327.428 2.949 40 0 EFABRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000253428498 474754912 /nfs/dbraw/zinc/75/49/12/474754912.db2.gz LDPQJFGTOAESDK-DYVFJYSZSA-N 1 0 334.441 2.747 40 0 EFABRO COc1ccc(F)cc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000253432344 474757768 /nfs/dbraw/zinc/75/77/68/474757768.db2.gz JTGICUOFPGQUHP-OAHLLOKOSA-N 1 0 349.450 2.708 40 0 EFABRO c1cc2n(n1)C[C@@H](OCC1CCCC1)C[N@@H+](CC1CCOCC1)C2 ZINC000253478345 474761255 /nfs/dbraw/zinc/76/12/55/474761255.db2.gz KMNYWFOVSMRGAP-IBGZPJMESA-N 1 0 333.476 2.701 40 0 EFABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000253612743 474773143 /nfs/dbraw/zinc/77/31/43/474773143.db2.gz IZWKBHMVRKCCRM-MGYGNFHQSA-N 1 0 327.509 2.934 40 0 EFABRO CCOC[C@@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3occc3C)C2)C1 ZINC000306128594 474806219 /nfs/dbraw/zinc/80/62/19/474806219.db2.gz HFSILBHQIPNYLY-QGZVFWFLSA-N 1 0 346.471 2.941 40 0 EFABRO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306128518 474807473 /nfs/dbraw/zinc/80/74/73/474807473.db2.gz HCWSWOIDALXQKT-MNEFBYGVSA-N 1 0 346.515 2.772 40 0 EFABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1CC1CC1 ZINC000306123873 474807907 /nfs/dbraw/zinc/80/79/07/474807907.db2.gz AZGIQLPHIQRAHG-RTBURBONSA-N 1 0 339.414 2.919 40 0 EFABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1CC1CC1 ZINC000306127709 474807988 /nfs/dbraw/zinc/80/79/88/474807988.db2.gz GFGOEDLLSCGTQG-SJORKVTESA-N 1 0 327.453 2.841 40 0 EFABRO CC(C)CC[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccco3)n12 ZINC000306136355 474809532 /nfs/dbraw/zinc/80/95/32/474809532.db2.gz PQZCOLBXYGTYEQ-UHFFFAOYSA-N 1 0 343.475 2.821 40 0 EFABRO c1cc(N2CCCC2)cn2nc([C@@H]3CCC[N@@H+](CC4CC4)C3)nc12 ZINC000306133088 474809768 /nfs/dbraw/zinc/80/97/68/474809768.db2.gz MBKOFMLBRMRHPG-MRXNPFEDSA-N 1 0 325.460 2.919 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809900 /nfs/dbraw/zinc/80/99/00/474809900.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 1 0 346.450 2.758 40 0 EFABRO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](CC4CC4)C[C@H]32)cs1 ZINC000306132908 474810111 /nfs/dbraw/zinc/81/01/11/474810111.db2.gz LVWYOHUSXZWGLP-IAGOWNOFSA-N 1 0 342.468 2.544 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137197 474810288 /nfs/dbraw/zinc/81/02/88/474810288.db2.gz QOLSYEQQKSEEJX-FUHWJXTLSA-N 1 0 349.425 2.860 40 0 EFABRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)CC4CC4)[C@H]3C2)c1 ZINC000306135114 474810537 /nfs/dbraw/zinc/81/05/37/474810537.db2.gz OIGIICYRKHRWGT-VAMGGRTRSA-N 1 0 342.483 2.667 40 0 EFABRO CCC[N@@H+]1CCC[C@H](c2ccnc3c(C(=O)NCC(C)C)cnn32)C1 ZINC000306132585 474810703 /nfs/dbraw/zinc/81/07/03/474810703.db2.gz LMYPFOFTKAHFPP-HNNXBMFYSA-N 1 0 343.475 2.705 40 0 EFABRO Cc1cnc(N2CC[C@H](F)[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000306143171 474810970 /nfs/dbraw/zinc/81/09/70/474810970.db2.gz XUYSOBWSOWHXHL-FUHWJXTLSA-N 1 0 330.407 2.819 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(Cc2scnc2C)Cc2cncn21 ZINC000306143043 474811198 /nfs/dbraw/zinc/81/11/98/474811198.db2.gz XRONDQFKUSUKSV-OAHLLOKOSA-N 1 0 333.505 2.937 40 0 EFABRO CC(=O)N(C)[C@H]1CCOC2(CC[NH+](CCc3ccccc3)CC2)C1 ZINC000257247704 474926913 /nfs/dbraw/zinc/92/69/13/474926913.db2.gz JACGBHGTCSCNRV-IBGZPJMESA-N 1 0 330.472 2.721 40 0 EFABRO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2Cc2nccn2C(C)C)n1 ZINC000257278634 474926974 /nfs/dbraw/zinc/92/69/74/474926974.db2.gz OCZSQMXNIFKDAL-KRWDZBQOSA-N 1 0 342.491 2.961 40 0 EFABRO COc1ccccc1C(=O)N1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257243890 474927888 /nfs/dbraw/zinc/92/78/88/474927888.db2.gz IJAILWVMUOJSNX-MRXNPFEDSA-N 1 0 340.427 2.524 40 0 EFABRO FC(F)(F)c1cccc(OCCc2cc([C@H]3C[NH2+]CCO3)[nH]n2)c1 ZINC000257283080 474930227 /nfs/dbraw/zinc/93/02/27/474930227.db2.gz OWRZAEPCQLUVCE-OAHLLOKOSA-N 1 0 341.333 2.711 40 0 EFABRO Cc1cc(NC2CC3(C2)CC[N@H+](Cc2ncccc2F)C3)ncn1 ZINC000257280411 474930611 /nfs/dbraw/zinc/93/06/11/474930611.db2.gz OKSQWYRXHJQISI-UHFFFAOYSA-N 1 0 327.407 2.786 40 0 EFABRO O=C(N1CCCC1)[C@@]1(c2cnccn2)CCC[N@@H+]1C1CCCCC1 ZINC000257288940 474934745 /nfs/dbraw/zinc/93/47/45/474934745.db2.gz PWIPBROEAAUGQQ-IBGZPJMESA-N 1 0 328.460 2.723 40 0 EFABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000257290136 474935197 /nfs/dbraw/zinc/93/51/97/474935197.db2.gz QBSOOTUDJJOEBI-LJQANCHMSA-N 1 0 348.462 2.766 40 0 EFABRO Cc1ccc(CC(=O)NCc2nccnc2C2CC[NH+](C)CC2)s1 ZINC000257288243 474935299 /nfs/dbraw/zinc/93/52/99/474935299.db2.gz PTMDPDCBPVMHMX-UHFFFAOYSA-N 1 0 344.484 2.515 40 0 EFABRO FC(F)(F)c1ccc(OCCc2cc([C@H]3C[NH2+]CCO3)[nH]n2)cc1 ZINC000257300138 474941536 /nfs/dbraw/zinc/94/15/36/474941536.db2.gz RTAXIDKCUHQRML-OAHLLOKOSA-N 1 0 341.333 2.711 40 0 EFABRO CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3CC3CC3)ccc2c1N ZINC000257306065 474942144 /nfs/dbraw/zinc/94/21/44/474942144.db2.gz SSTOLYULGADIAH-ZDUSSCGKSA-N 1 0 330.457 2.785 40 0 EFABRO Cn1cc(C[N@@H+]2CCOC[C@H](Cc3cccc4occc43)C2)cn1 ZINC000257307844 474945390 /nfs/dbraw/zinc/94/53/90/474945390.db2.gz TUJGQOGTIXCVSK-OAHLLOKOSA-N 1 0 325.412 2.857 40 0 EFABRO CCc1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257313448 474946722 /nfs/dbraw/zinc/94/67/22/474946722.db2.gz USMPVABJEYRDOL-CYBMUJFWSA-N 1 0 328.416 2.636 40 0 EFABRO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257309795 474947266 /nfs/dbraw/zinc/94/72/66/474947266.db2.gz UCKPVARWGGIYBU-GFCCVEGCSA-N 1 0 326.429 2.703 40 0 EFABRO CCCn1ccc(C(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)n1 ZINC000257315772 474950351 /nfs/dbraw/zinc/95/03/51/474950351.db2.gz VCSGNEUODJMBAW-SFHVURJKSA-N 1 0 341.459 2.727 40 0 EFABRO Cn1cc(C[NH+]2CCC(c3ccnc(Nc4ncccn4)c3)CC2)cn1 ZINC000257317412 474951310 /nfs/dbraw/zinc/95/13/10/474951310.db2.gz VJQMTOUOBYSCAK-UHFFFAOYSA-N 1 0 349.442 2.728 40 0 EFABRO Cc1ncc(-c2nccnc2C2CC[NH+](C3CCOCC3)CC2)n1C ZINC000257318661 474951427 /nfs/dbraw/zinc/95/14/27/474951427.db2.gz VOXRLUJLEITVGJ-UHFFFAOYSA-N 1 0 341.459 2.544 40 0 EFABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257326800 474954659 /nfs/dbraw/zinc/95/46/59/474954659.db2.gz WYPVDPOTVJYVCE-MRXNPFEDSA-N 1 0 334.427 2.950 40 0 EFABRO NC(=O)c1cc(C[C@H]2CCC[N@H+](Cc3ccccc3F)CC2)ncn1 ZINC000257324132 474954862 /nfs/dbraw/zinc/95/48/62/474954862.db2.gz WNHNVONYVNMAQN-AWEZNQCLSA-N 1 0 342.418 2.559 40 0 EFABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2scnc2C)ccn1 ZINC000257325116 474954991 /nfs/dbraw/zinc/95/49/91/474954991.db2.gz WRNOVQJEZNOBTL-INIZCTEOSA-N 1 0 330.457 2.820 40 0 EFABRO COc1ccccc1[C@H]1C[N@H+](CC2(O)CCCCC2)CCN1C(C)=O ZINC000257324209 474955059 /nfs/dbraw/zinc/95/50/59/474955059.db2.gz WNRRLMHFPFJOGI-GOSISDBHSA-N 1 0 346.471 2.596 40 0 EFABRO Nc1cc(CC[C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)cc[nH+]1 ZINC000257326373 474956082 /nfs/dbraw/zinc/95/60/82/474956082.db2.gz WWZIHURPDPZNSY-KOEDOTQGSA-N 1 0 337.423 2.537 40 0 EFABRO COc1ccc([C@@H]2C[N@H+](CC3(O)CCCCC3)CCN2C(C)=O)cc1 ZINC000257332710 474958997 /nfs/dbraw/zinc/95/89/97/474958997.db2.gz XYIVQRDUCCBWTN-IBGZPJMESA-N 1 0 346.471 2.596 40 0 EFABRO Cc1cccnc1C[N@@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257333484 474959251 /nfs/dbraw/zinc/95/92/51/474959251.db2.gz YBSSJAZQTQXJRN-KRWDZBQOSA-N 1 0 336.439 2.729 40 0 EFABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCc2cccs2)c1 ZINC000257332574 474959624 /nfs/dbraw/zinc/95/96/24/474959624.db2.gz XXXNQLFAKSPTSS-UHFFFAOYSA-N 1 0 340.452 2.925 40 0 EFABRO COCCN1C(=O)CCC[C@H]2C[N@@H+](Cc3ccc(OC)cc3)CC[C@H]21 ZINC000257334742 474959981 /nfs/dbraw/zinc/95/99/81/474959981.db2.gz YHEVYRXCIVNMOE-PKOBYXMFSA-N 1 0 346.471 2.545 40 0 EFABRO C[NH+](C)Cc1cnc(CC2CCN(C(=O)c3ccccc3)CC2)cn1 ZINC000257332070 474960295 /nfs/dbraw/zinc/96/02/95/474960295.db2.gz XVQIDYZIYNLFAY-UHFFFAOYSA-N 1 0 338.455 2.633 40 0 EFABRO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257337589 474960813 /nfs/dbraw/zinc/96/08/13/474960813.db2.gz YTKTZGSCNXUISI-INIZCTEOSA-N 1 0 340.475 2.563 40 0 EFABRO c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc([C@H]2CCCOC2)n1 ZINC000257340356 474963522 /nfs/dbraw/zinc/96/35/22/474963522.db2.gz ZFQKAJIKJWDTGN-KRWDZBQOSA-N 1 0 344.503 2.821 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)c(F)c2)cc1 ZINC000257342203 474963601 /nfs/dbraw/zinc/96/36/01/474963601.db2.gz ZNNVEPXFIWHYIH-GOSISDBHSA-N 1 0 346.377 2.689 40 0 EFABRO Cc1cncc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000257338055 474963642 /nfs/dbraw/zinc/96/36/42/474963642.db2.gz YVPDIZXOEBMNEK-KRWDZBQOSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1nccc(C[N@@H+](C)[C@@H]2CCC[C@H](Oc3cccc(F)c3)[C@H]2O)n1 ZINC000257344791 474965288 /nfs/dbraw/zinc/96/52/88/474965288.db2.gz ZYRKPFXAVLPHQS-QYZOEREBSA-N 1 0 345.418 2.717 40 0 EFABRO Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2cncs2)C3)ncn1 ZINC000257343435 474965505 /nfs/dbraw/zinc/96/55/05/474965505.db2.gz ZTAXLVJNAAPKRH-UHFFFAOYSA-N 1 0 329.473 2.732 40 0 EFABRO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261602965 474990826 /nfs/dbraw/zinc/99/08/26/474990826.db2.gz ASMUWQXYQRCAKR-XCLNPWKQSA-N 1 0 337.467 2.523 40 0 EFABRO CSc1ccccc1C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000280388574 475021251 /nfs/dbraw/zinc/02/12/51/475021251.db2.gz KGJIQXYJRVQNFF-CQSZACIVSA-N 1 0 342.530 2.512 40 0 EFABRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccoc1C1CC1 ZINC000390835039 476805938 /nfs/dbraw/zinc/80/59/38/476805938.db2.gz BFWXKSMVIBMEAF-DLBZAZTESA-N 1 0 332.444 2.655 40 0 EFABRO Cc1nc2ccccc2n1CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423997917 477253343 /nfs/dbraw/zinc/25/33/43/477253343.db2.gz LYSPCLMSEOQXDY-LJQANCHMSA-N 1 0 334.423 2.518 40 0 EFABRO O=C(CCn1cnc2ccccc21)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424001604 477255054 /nfs/dbraw/zinc/25/50/54/477255054.db2.gz PJRCCGXISVBEKV-LJQANCHMSA-N 1 0 334.423 2.600 40 0 EFABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CC2CCCC2)CC[C@@]1(C)O ZINC000514289585 479020042 /nfs/dbraw/zinc/02/00/42/479020042.db2.gz LIDWNYAWOKDMLQ-SLFFLAALSA-N 1 0 330.472 2.879 40 0 biogenic,in-vitro EFABRO Cn1cnc2c1C[C@H](COCc1ccncc1)[N@@H+](C1CCCC1)C2 ZINC000585094692 479279862 /nfs/dbraw/zinc/27/98/62/479279862.db2.gz HTSVTIQAWZFIEY-QGZVFWFLSA-N 1 0 326.444 2.701 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 ZINC000585096293 479280313 /nfs/dbraw/zinc/28/03/13/479280313.db2.gz GCMUSEHEKWKADS-MRXNPFEDSA-N 1 0 342.443 2.518 40 0 EFABRO COCC[N@@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585102022 479283578 /nfs/dbraw/zinc/28/35/78/479283578.db2.gz OBCYPYPHBJERHZ-KRWDZBQOSA-N 1 0 340.826 2.806 40 0 EFABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102387 479284148 /nfs/dbraw/zinc/28/41/48/479284148.db2.gz YWQAUYQAPTWUPF-KRWDZBQOSA-N 1 0 334.489 2.752 40 0 EFABRO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585103731 479284370 /nfs/dbraw/zinc/28/43/70/479284370.db2.gz FNYXVIYOFPNUEI-YLJYHZDGSA-N 1 0 330.472 2.955 40 0 EFABRO CC[N@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000585103146 479284649 /nfs/dbraw/zinc/28/46/49/479284649.db2.gz DNVQRVWQFKOOCU-SFHVURJKSA-N 1 0 330.472 2.958 40 0 EFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccoc3)C2)OC1 ZINC000585103460 479285025 /nfs/dbraw/zinc/28/50/25/479285025.db2.gz BHVYMCAUAVFSBY-SFHVURJKSA-N 1 0 341.455 2.788 40 0 EFABRO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(Cc1ccco1)C2 ZINC000585102763 479285127 /nfs/dbraw/zinc/28/51/27/479285127.db2.gz GVFHGMLCKBXKIA-GOSISDBHSA-N 1 0 341.455 2.788 40 0 EFABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1cccnc1OC)CC2 ZINC000585105175 479286409 /nfs/dbraw/zinc/28/64/09/479286409.db2.gz PQAZWTODFVBGOW-QGZVFWFLSA-N 1 0 334.460 2.888 40 0 EFABRO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C(=O)N(C)C)C[C@H]2OCC[C@H]21 ZINC000585108730 479286944 /nfs/dbraw/zinc/28/69/44/479286944.db2.gz NEIRJJMEWJNDLN-YQVWRLOYSA-N 1 0 346.471 2.541 40 0 EFABRO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@H+]2CCC(C)C)C1 ZINC000585107915 479287808 /nfs/dbraw/zinc/28/78/08/479287808.db2.gz FOHHLIJOUQITCQ-DLBZAZTESA-N 1 0 336.501 2.736 40 0 EFABRO Cc1ccccc1C(=O)N1CC[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000585108290 479287925 /nfs/dbraw/zinc/28/79/25/479287925.db2.gz RFQILTURZPEKQT-IEBWSBKVSA-N 1 0 328.456 2.568 40 0 EFABRO COCc1cnc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000585140267 479297052 /nfs/dbraw/zinc/29/70/52/479297052.db2.gz BFJGTXAGQLBQLN-HUUCEWRRSA-N 1 0 331.441 2.921 40 0 EFABRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](c2ncc[nH]2)C1 ZINC000585141154 479299323 /nfs/dbraw/zinc/29/93/23/479299323.db2.gz QKYRMNRCSUVWMN-NEPJUHHUSA-N 1 0 341.440 2.836 40 0 EFABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cccc3[nH]ccc32)c1 ZINC000585182490 479304113 /nfs/dbraw/zinc/30/41/13/479304113.db2.gz XNUZVUTYXLTQCY-HXUWFJFHSA-N 1 0 348.450 2.674 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269483 479304189 /nfs/dbraw/zinc/30/41/89/479304189.db2.gz WHCWITOJBNIZCA-LJQANCHMSA-N 1 0 327.428 2.529 40 0 EFABRO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585275216 479305148 /nfs/dbraw/zinc/30/51/48/479305148.db2.gz ALOVZYOYKPSQOH-IBGZPJMESA-N 1 0 337.435 2.991 40 0 EFABRO COc1ccccc1C[N@H+]1CCC[C@H](OC)[C@@H]1CCC(=O)N(C)C ZINC000585279386 479306897 /nfs/dbraw/zinc/30/68/97/479306897.db2.gz YRXNNGINEJVNPC-WMZOPIPTSA-N 1 0 334.460 2.543 40 0 EFABRO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C[C@H]1Cc1ccccc1 ZINC000585277852 479307513 /nfs/dbraw/zinc/30/75/13/479307513.db2.gz WUFHSHORUZHBJD-MSOLQXFVSA-N 1 0 339.439 2.600 40 0 EFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000585285262 479308113 /nfs/dbraw/zinc/30/81/13/479308113.db2.gz NRRPOWUVIULWKP-IPMKNSEASA-N 1 0 336.451 2.562 40 0 EFABRO O[C@@]1(COc2cc(F)cc(F)c2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585281864 479308626 /nfs/dbraw/zinc/30/86/26/479308626.db2.gz CZFSZWQBBBMFKU-GOSISDBHSA-N 1 0 341.398 2.740 40 0 EFABRO Cc1nnsc1C[NH2+][C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585288807 479309308 /nfs/dbraw/zinc/30/93/08/479309308.db2.gz JPIPJIYWRSVRDW-ZMSDIMECSA-N 1 0 333.457 2.606 40 0 EFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000585288490 479309384 /nfs/dbraw/zinc/30/93/84/479309384.db2.gz BTEAOSSNPRXNFU-YQVWRLOYSA-N 1 0 345.418 2.583 40 0 EFABRO CO[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C[C@H]1Cc1ccc(C)cc1 ZINC000585289983 479310485 /nfs/dbraw/zinc/31/04/85/479310485.db2.gz PHTCABKMVQXJKO-YSKLNCTFSA-N 1 0 330.472 2.519 40 0 EFABRO C[N@H+](CCN1CCCCC1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290085 479310765 /nfs/dbraw/zinc/31/07/65/479310765.db2.gz ZTUJETOZNJYHAQ-XUVXKRRUSA-N 1 0 332.488 2.765 40 0 EFABRO CN1CCC[N@@H+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290323 479310808 /nfs/dbraw/zinc/31/08/08/479310808.db2.gz UZNJCNYNOIITND-RCCFBDPRSA-N 1 0 338.879 2.638 40 0 EFABRO CC[NH+](CC)C[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 ZINC000575406956 479439681 /nfs/dbraw/zinc/43/96/81/479439681.db2.gz ZFLATJILGAVDLM-GOSISDBHSA-N 1 0 326.444 2.730 40 0 EFABRO COc1ncccc1C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 ZINC000575414709 479442386 /nfs/dbraw/zinc/44/23/86/479442386.db2.gz WHRXBBKQUQZGCM-AWEZNQCLSA-N 1 0 336.395 2.836 40 0 EFABRO CCOc1ccc(NC(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575607647 479451660 /nfs/dbraw/zinc/45/16/60/479451660.db2.gz OKACJFIAXRGXIT-KRWDZBQOSA-N 1 0 347.459 2.708 40 0 EFABRO O=C(NC1CCCCC1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575609011 479452737 /nfs/dbraw/zinc/45/27/37/479452737.db2.gz XJFIUNXJNRLDSC-UHFFFAOYSA-N 1 0 325.522 2.932 40 0 EFABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cccs2)CC[C@@]1(C)O ZINC000604382405 479509365 /nfs/dbraw/zinc/50/93/65/479509365.db2.gz QYODLZTZORKQPW-GBESFXJTSA-N 1 0 344.480 2.951 40 0 biogenic,in-vitro EFABRO COc1cccc2c1CC[C@H]2NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187305655 533871863 /nfs/dbraw/zinc/87/18/63/533871863.db2.gz XUHPRDGQYLFKKD-MRXNPFEDSA-N 1 0 331.460 2.808 40 0 EFABRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Br)o2)CC1 ZINC000191617094 533955251 /nfs/dbraw/zinc/95/52/51/533955251.db2.gz JWFRDXOCRJKUDI-JTQLQIEISA-N 1 0 345.237 2.999 40 0 EFABRO CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CC[NH2+]CC1 ZINC000012157448 520461945 /nfs/dbraw/zinc/46/19/45/520461945.db2.gz HCJPCNIRVYXWKD-OAHLLOKOSA-N 1 0 334.391 2.642 40 0 EFABRO C[C@H](CNC(=O)N[C@H](C)c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000048069266 524428109 /nfs/dbraw/zinc/42/81/09/524428109.db2.gz KEGBZQNPBPUPRN-HZPDHXFCSA-N 1 0 338.455 2.889 40 0 EFABRO CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000363630907 534916098 /nfs/dbraw/zinc/91/60/98/534916098.db2.gz BTZVRMYJBJSICW-OAHLLOKOSA-N 1 0 331.464 2.866 40 0 EFABRO CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)[NH3+])C1CC1 ZINC000158748113 528376047 /nfs/dbraw/zinc/37/60/47/528376047.db2.gz WLHOFXMLLCYFMC-SNVBAGLBSA-N 1 0 341.249 2.686 40 0 EFABRO CCCOc1ccccc1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000178332748 528773985 /nfs/dbraw/zinc/77/39/85/528773985.db2.gz OGPXUGXRLCNRQU-UHFFFAOYSA-N 1 0 343.431 2.552 40 0 EFABRO CC[C@](C)(COc1ncccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC000154406185 529365525 /nfs/dbraw/zinc/36/55/25/529365525.db2.gz JEYHNORMWGHHNV-QGZVFWFLSA-N 1 0 339.867 2.741 40 0 EFABRO CC(C)c1ccnc(N2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)n1 ZINC000225772330 535376806 /nfs/dbraw/zinc/37/68/06/535376806.db2.gz SYKNNYQICLQRKZ-GOSISDBHSA-N 1 0 348.491 2.655 40 0 EFABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)nc1 ZINC000257243807 536020885 /nfs/dbraw/zinc/02/08/85/536020885.db2.gz IIQUQDUDMCLFCF-KRWDZBQOSA-N 1 0 340.427 2.986 40 0 EFABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 ZINC000257220336 536040807 /nfs/dbraw/zinc/04/08/07/536040807.db2.gz DKLCULCVRRUKJS-KRWDZBQOSA-N 1 0 340.427 2.986 40 0 EFABRO COc1cc(C)ccc1OCC(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257274984 536669793 /nfs/dbraw/zinc/66/97/93/536669793.db2.gz NNMQURFFJBGGPC-MJGOQNOKSA-N 1 0 332.444 2.516 40 0 EFABRO COc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218125509 536947277 /nfs/dbraw/zinc/94/72/77/536947277.db2.gz YNXZHERJGQKRTC-ARFHVFGLSA-N 1 0 337.828 2.616 40 0 EFABRO COc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218110603 536948219 /nfs/dbraw/zinc/94/82/19/536948219.db2.gz YDPRFBSUSXTTCJ-BZSNNMDCSA-N 1 0 331.437 2.518 40 0 EFABRO CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)CC2CCOCC2)CC1 ZINC000585091037 546371382 /nfs/dbraw/zinc/37/13/82/546371382.db2.gz NHMCDJGCMLXHMS-HNNXBMFYSA-N 1 0 325.497 2.707 40 0 EFABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1 ZINC000679770322 549196714 /nfs/dbraw/zinc/19/67/14/549196714.db2.gz NMEGMVZNDKPXNP-OAHLLOKOSA-N 1 0 341.459 2.624 40 0 EFABRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2C2CC2)C1)C1CC1 ZINC000585084661 564133916 /nfs/dbraw/zinc/13/39/16/564133916.db2.gz JDHCMIRYIXKAPH-HNNXBMFYSA-N 1 0 348.512 2.858 40 0 EFABRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1ccccc1 ZINC001772715308 1249316303 /nfs/dbraw/zinc/31/63/03/1249316303.db2.gz SZXNYMLUTIAJKC-PVAVHDDUSA-N 1 0 334.460 2.955 40 0 EFABRO COCCC1(NC(=O)Cc2ccccc2)CC[NH+](CC2CC2)CC1 ZINC000824378418 1321625146 /nfs/dbraw/zinc/62/51/46/1321625146.db2.gz PZFZGKZZJYYNSO-UHFFFAOYSA-N 1 0 330.472 2.626 40 0 EFABRO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2C)ncn1 ZINC000109069848 724704553 /nfs/dbraw/zinc/70/45/53/724704553.db2.gz ILQULOVLUGSPGQ-INIZCTEOSA-N 1 0 329.423 2.724 40 0 EFABRO Cc1ccccc1NC(=O)CC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000028285940 1099450948 /nfs/dbraw/zinc/45/09/48/1099450948.db2.gz KVSKNBQTKPEUCB-OAHLLOKOSA-N 1 0 326.396 2.753 40 0 EFABRO O=C(N[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC000097953470 219064077 /nfs/dbraw/zinc/06/40/77/219064077.db2.gz BEKKCZOYJUTPHF-UAGQMJEPSA-N 1 0 334.485 2.644 40 0 EFABRO O[C@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(-c2ccccc2)cc1 ZINC000004667227 210241565 /nfs/dbraw/zinc/24/15/65/210241565.db2.gz COQYEOGHDPETNY-UYAOXDASSA-N 1 0 327.424 2.862 40 0 EFABRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1F ZINC000180937834 529682919 /nfs/dbraw/zinc/68/29/19/529682919.db2.gz RJUWIGVSZITCPR-QGZVFWFLSA-N 1 0 340.464 2.823 40 0 EFABRO CC(C)(C)[NH2+]C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000004426144 210190598 /nfs/dbraw/zinc/19/05/98/210190598.db2.gz UAODBKBCPMOKSL-SECBINFHSA-N 1 0 338.192 2.855 40 0 EFABRO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3cc[nH]n3)CC2)nc1 ZINC000066973009 215100171 /nfs/dbraw/zinc/10/01/71/215100171.db2.gz XSYWRRLJPRGBQE-UHFFFAOYSA-N 1 0 325.338 2.582 40 0 EFABRO COCc1ccc(C[NH2+][C@H]2C[C@@H](Cc3cc(CCO)on3)C2(C)C)o1 ZINC000067889700 215242360 /nfs/dbraw/zinc/24/23/60/215242360.db2.gz ABTGLGWGEWIMRF-ACJLOTCBSA-N 1 0 348.443 2.696 40 0 biogenic,in-vitro EFABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690212 213462277 /nfs/dbraw/zinc/46/22/77/213462277.db2.gz VFTHHKBDAZXHKY-INMHGKMJSA-N 1 0 325.424 2.560 40 0 EFABRO Cn1cccc1C(=O)N(Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000068113690 215279978 /nfs/dbraw/zinc/27/99/78/215279978.db2.gz OSVFPVIRZUSUAT-UHFFFAOYSA-N 1 0 329.419 2.901 40 0 EFABRO C[NH+](C)[C@@H](CNc1cncc(-n2cccn2)n1)c1cccc(F)c1 ZINC000068659156 215323926 /nfs/dbraw/zinc/32/39/26/215323926.db2.gz HMXZEIPTIKFHNK-HNNXBMFYSA-N 1 0 326.379 2.516 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000040464893 213309539 /nfs/dbraw/zinc/30/95/39/213309539.db2.gz PMUMUYRGCLZUSL-UHFFFAOYSA-N 1 0 336.233 2.769 40 0 EFABRO C[NH+]1CCN(Cc2ccccc2CNC(=O)c2cccc(F)c2)CC1 ZINC000040089769 213261176 /nfs/dbraw/zinc/26/11/76/213261176.db2.gz YFHIJVKNBMJDSP-UHFFFAOYSA-N 1 0 341.430 2.503 40 0 EFABRO C[N@H+](CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C1CCCC1 ZINC000040019917 213251721 /nfs/dbraw/zinc/25/17/21/213251721.db2.gz QWAQMFBJLRLMMG-FQEVSTJZSA-N 1 0 341.455 2.992 40 0 EFABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000001454863 209751016 /nfs/dbraw/zinc/75/10/16/209751016.db2.gz QXOGOSIEFJJFNU-GOSISDBHSA-N 1 0 347.499 2.929 40 0 EFABRO CC(C)CCC[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000036612908 213102098 /nfs/dbraw/zinc/10/20/98/213102098.db2.gz WRCOLQMMOAXLPQ-UHFFFAOYSA-N 1 0 343.265 2.839 40 0 EFABRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)co1 ZINC000186866404 236048318 /nfs/dbraw/zinc/04/83/18/236048318.db2.gz OWVCTMSOVUUGEZ-UHFFFAOYSA-N 1 0 341.411 2.666 40 0 EFABRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000070173344 215680697 /nfs/dbraw/zinc/68/06/97/215680697.db2.gz LOCIOUDBRIVSEK-UWVGGRQHSA-N 1 0 329.213 2.788 40 0 EFABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000035622925 213042172 /nfs/dbraw/zinc/04/21/72/213042172.db2.gz HLKRLEGOUNMEFF-CABCVRRESA-N 1 0 339.867 2.939 40 0 EFABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCC2)n1 ZINC000035424945 213027649 /nfs/dbraw/zinc/02/76/49/213027649.db2.gz ARPKEFKQKVKXMX-HNNXBMFYSA-N 1 0 343.431 2.879 40 0 biogenic,in-vitro EFABRO Cc1cc(C)n2nc(C(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2n1 ZINC000035315307 213021209 /nfs/dbraw/zinc/02/12/09/213021209.db2.gz XCWLHIZRQUWULN-GASCZTMLSA-N 1 0 343.475 2.729 40 0 EFABRO [NH3+]CCCNc1c2c(nc3cc(-c4cccc(F)c4)nn31)CCC2 ZINC000035315460 213020440 /nfs/dbraw/zinc/02/04/40/213020440.db2.gz ZSOFOTIGYYPRIA-UHFFFAOYSA-N 1 0 325.391 2.785 40 0 EFABRO O=C(C[NH2+]CCc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 ZINC000035311463 213020281 /nfs/dbraw/zinc/02/02/81/213020281.db2.gz DRIMIJNHAGRVGH-UHFFFAOYSA-N 1 0 346.814 2.517 40 0 EFABRO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181033 291163056 /nfs/dbraw/zinc/16/30/56/291163056.db2.gz XYHKPTLJDNZHQN-IFXJQAMLSA-N 1 0 328.456 2.894 40 0 EFABRO COC(=O)c1cccc(OC[C@H](O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000032682338 212825750 /nfs/dbraw/zinc/82/57/50/212825750.db2.gz WBOPWPLYAIEBJQ-QGZVFWFLSA-N 1 0 337.460 2.827 40 0 EFABRO c1cncc(C[NH+]2CCC(c3ccnc(Nc4cncnc4)n3)CC2)c1 ZINC000072354964 216164860 /nfs/dbraw/zinc/16/48/60/216164860.db2.gz RGTMEQRNVQYUGH-UHFFFAOYSA-N 1 0 347.426 2.785 40 0 EFABRO Cc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355434 216165097 /nfs/dbraw/zinc/16/50/97/216165097.db2.gz XHEFFTNOTGMBAR-KRWDZBQOSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360060 216165507 /nfs/dbraw/zinc/16/55/07/216165507.db2.gz SCSKRRIZBGPHDC-OAHLLOKOSA-N 1 0 340.431 2.635 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(OC)c2)C1 ZINC000072358501 216166485 /nfs/dbraw/zinc/16/64/85/216166485.db2.gz BAWOPUSIHODOTI-INIZCTEOSA-N 1 0 327.428 2.978 40 0 EFABRO CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340189 216158502 /nfs/dbraw/zinc/15/85/02/216158502.db2.gz PNPDDXLMSPLHIB-ALKREAHSSA-N 1 0 331.412 2.570 40 0 EFABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350558 216162916 /nfs/dbraw/zinc/16/29/16/216162916.db2.gz FUQDPRGPTWJRAU-KRWDZBQOSA-N 1 0 348.454 2.999 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072362886 216169713 /nfs/dbraw/zinc/16/97/13/216169713.db2.gz COZFJQZXFYDTHW-INIZCTEOSA-N 1 0 344.390 2.633 40 0 EFABRO Cc1cc(Oc2ccccc2C)nc(C2CCN(C(=O)C[NH3+])CC2)n1 ZINC000072363218 216170431 /nfs/dbraw/zinc/17/04/31/216170431.db2.gz CRKFZSZREAMABJ-UHFFFAOYSA-N 1 0 340.427 2.550 40 0 EFABRO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000072379608 216180870 /nfs/dbraw/zinc/18/08/70/216180870.db2.gz YEBGHTZNFCOEFP-LJQANCHMSA-N 1 0 342.418 2.631 40 0 EFABRO Cc1nc([C@H]2CC[N@@H+]2CCc2ccccc2)cc(N2CCOCC2)n1 ZINC000072387528 216186868 /nfs/dbraw/zinc/18/68/68/216186868.db2.gz DVYDVRVDZHALMQ-LJQANCHMSA-N 1 0 338.455 2.611 40 0 EFABRO c1ccc(-c2cc(C[NH2+]CCc3ccccn3)c3nnnn3c2)cc1 ZINC000072392322 216191466 /nfs/dbraw/zinc/19/14/66/216191466.db2.gz BFVAJKFQVXITHI-UHFFFAOYSA-N 1 0 330.395 2.519 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392934 216190503 /nfs/dbraw/zinc/19/05/03/216190503.db2.gz MNUZZJFPOVMYNQ-INIZCTEOSA-N 1 0 347.422 2.607 40 0 EFABRO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc2ncccc2c1 ZINC000072392142 216191270 /nfs/dbraw/zinc/19/12/70/216191270.db2.gz AOQMSRWFMSTNDY-KRWDZBQOSA-N 1 0 335.411 2.534 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392936 216191715 /nfs/dbraw/zinc/19/17/15/216191715.db2.gz FYPICXCXTQULML-MRXNPFEDSA-N 1 0 336.395 2.805 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2)C1 ZINC000129925931 223104926 /nfs/dbraw/zinc/10/49/26/223104926.db2.gz ZPILFKPRZQCDLZ-CYBMUJFWSA-N 1 0 340.265 2.542 40 0 EFABRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130437905 223152032 /nfs/dbraw/zinc/15/20/32/223152032.db2.gz CTZKCRQVCNOQCE-SJLPKXTDSA-N 1 0 336.501 2.726 40 0 EFABRO O=C(NC1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000072667690 216290536 /nfs/dbraw/zinc/29/05/36/216290536.db2.gz NQYQOWMDKQUZKP-HNNXBMFYSA-N 1 0 341.377 2.542 40 0 EFABRO CC(C)(C)[NH2+]C[C@H](O)COCCOc1ccc(Br)cc1 ZINC000026780652 212534264 /nfs/dbraw/zinc/53/42/64/212534264.db2.gz BQMUFWOGUSKRIS-ZDUSSCGKSA-N 1 0 346.265 2.594 40 0 EFABRO O=C1CCCN1CCOc1ccc(C[NH+]2CCCC2)c2cccnc12 ZINC000059474720 238775950 /nfs/dbraw/zinc/77/59/50/238775950.db2.gz JDHDIPJYVWXSDJ-UHFFFAOYSA-N 1 0 339.439 2.832 40 0 EFABRO Cc1nn(C)c(C)c1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102562 216349445 /nfs/dbraw/zinc/34/94/45/216349445.db2.gz LFLNJUUKLLJXQK-UHFFFAOYSA-N 1 0 339.443 2.806 40 0 EFABRO Cc1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)on1 ZINC000073303042 216375817 /nfs/dbraw/zinc/37/58/17/216375817.db2.gz FBCDUWQGOXUFNE-ZDUSSCGKSA-N 1 0 329.400 2.956 40 0 EFABRO CN1CCN([C@@H](C[NH2+]Cc2ccc(O)cc2)c2cccs2)CC1 ZINC000023248973 212363607 /nfs/dbraw/zinc/36/36/07/212363607.db2.gz JNDVVBAJWWJHPX-KRWDZBQOSA-N 1 0 331.485 2.532 40 0 EFABRO COc1cccc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000023181114 212358327 /nfs/dbraw/zinc/35/83/27/212358327.db2.gz IFZBRDYMKVUKLE-IGXNXKSNSA-N 1 0 346.471 2.712 40 0 EFABRO COc1cccc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023128025 212352565 /nfs/dbraw/zinc/35/25/65/212352565.db2.gz KLLQAOJIWVQHKZ-UHFFFAOYSA-N 1 0 328.412 2.930 40 0 EFABRO Cc1cc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c(C)[nH]1 ZINC000022787530 212324749 /nfs/dbraw/zinc/32/47/49/212324749.db2.gz KQRCCJLWEIUDRB-LJQANCHMSA-N 1 0 331.435 2.934 40 0 EFABRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc(F)cc1 ZINC000022089767 212276668 /nfs/dbraw/zinc/27/66/68/212276668.db2.gz NTMFKILWRGKXDA-UHFFFAOYSA-N 1 0 335.423 2.982 40 0 EFABRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000195530980 240984746 /nfs/dbraw/zinc/98/47/46/240984746.db2.gz SWBYJJDDYXSHNL-WMLDXEAASA-N 1 0 347.484 2.586 40 0 EFABRO CC[C@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549850 240999713 /nfs/dbraw/zinc/99/97/13/240999713.db2.gz HJKMKTIOPNQAAW-QWHCGFSZSA-N 1 0 331.865 2.664 40 0 EFABRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000195553794 241001836 /nfs/dbraw/zinc/00/18/36/241001836.db2.gz JAPYHQWKIXNTCY-NWANDNLSSA-N 1 0 334.464 2.550 40 0 EFABRO CC1CC[NH+](CCCNC(=S)Nc2ccc3c(c2)OCO3)CC1 ZINC000225435742 241861915 /nfs/dbraw/zinc/86/19/15/241861915.db2.gz GFJPZOTVCUCNFM-UHFFFAOYSA-N 1 0 335.473 2.824 40 0 EFABRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000225718894 242002253 /nfs/dbraw/zinc/00/22/53/242002253.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 1 0 331.489 2.756 40 0 EFABRO CC1(C)[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H]2CCO[C@H]21 ZINC000230153325 242240239 /nfs/dbraw/zinc/24/02/39/242240239.db2.gz RLLSBSHYELXTRJ-RCCFBDPRSA-N 1 0 349.519 2.754 40 0 EFABRO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000230024072 242225285 /nfs/dbraw/zinc/22/52/85/242225285.db2.gz HNTWGRBLQRTXAK-KURKYZTESA-N 1 0 335.536 2.830 40 0 EFABRO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000230104195 242230843 /nfs/dbraw/zinc/23/08/43/242230843.db2.gz KGTLYBBHWIXHSZ-RBUKOAKNSA-N 1 0 337.423 2.929 40 0 EFABRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCCc2ccccc2F)C1 ZINC000230104489 242231153 /nfs/dbraw/zinc/23/11/53/242231153.db2.gz QCHFRUNUBBOCPV-ZWKOTPCHSA-N 1 0 326.415 2.830 40 0 EFABRO C[N@@H+]1C[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@H](c2ccccc2)C1 ZINC000230104056 242231165 /nfs/dbraw/zinc/23/11/65/242231165.db2.gz XRIYYAKHQNIHSG-KBPBESRZSA-N 1 0 328.441 2.699 40 0 EFABRO CC(C)([NH3+])C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000236798905 242362324 /nfs/dbraw/zinc/36/23/24/242362324.db2.gz ZQHNIYBJFICVCT-UHFFFAOYSA-N 1 0 327.158 2.948 40 0 EFABRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969493 243007453 /nfs/dbraw/zinc/00/74/53/243007453.db2.gz UWQORDYKBWRBKB-RBUKOAKNSA-N 1 0 341.455 2.936 40 0 EFABRO O=C(Nc1ccccc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532035 212144619 /nfs/dbraw/zinc/14/46/19/212144619.db2.gz PVFUKBYWMFDARV-UHFFFAOYSA-N 1 0 337.851 2.916 40 0 EFABRO O=C(c1ccsc1)N1Cc2ccnn2C[C@H](C[NH+]2CCCCC2)C1 ZINC000247874066 243468792 /nfs/dbraw/zinc/46/87/92/243468792.db2.gz SGKKVIHGECOCLS-OAHLLOKOSA-N 1 0 344.484 2.703 40 0 EFABRO COc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000020493080 212139097 /nfs/dbraw/zinc/13/90/97/212139097.db2.gz SMZGGPJQUASUDQ-ZACQAIPSSA-N 1 0 348.487 2.947 40 0 EFABRO c1cc2n(c1)C[C@@H](OCc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588480 244025400 /nfs/dbraw/zinc/02/54/00/244025400.db2.gz FERCLAANGGFDCA-FQEVSTJZSA-N 1 0 341.455 2.711 40 0 EFABRO c1cc2n(c1)C[C@H](Oc1cccnc1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588733 244026285 /nfs/dbraw/zinc/02/62/85/244026285.db2.gz QCWLEARSAIQIRU-LJQANCHMSA-N 1 0 327.428 2.573 40 0 EFABRO CN(C)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cn2nccc12 ZINC000257204690 244130536 /nfs/dbraw/zinc/13/05/36/244130536.db2.gz AVXFJASQGNCICR-UHFFFAOYSA-N 1 0 336.443 2.570 40 0 EFABRO O=C(CC1CC[NH2+]CC1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257197967 244113911 /nfs/dbraw/zinc/11/39/11/244113911.db2.gz OVOBJTMRCMAXSU-UHFFFAOYSA-N 1 0 326.322 2.910 40 0 EFABRO CCN(Cc1ccccc1)C(=O)c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257200448 244118871 /nfs/dbraw/zinc/11/88/71/244118871.db2.gz ADJKAJZVKNOGQF-QGZVFWFLSA-N 1 0 338.455 2.948 40 0 EFABRO c1c[nH]c(-c2cncc(C3CC[NH+](Cc4cncs4)CC3)n2)n1 ZINC000257202834 244123523 /nfs/dbraw/zinc/12/35/23/244123523.db2.gz ANPZOHYTUKHIKJ-UHFFFAOYSA-N 1 0 326.429 2.703 40 0 EFABRO CN(C)c1nc([C@H]2CCC[N@H+](Cc3cnccn3)C2)cn2cccc12 ZINC000257203729 244126943 /nfs/dbraw/zinc/12/69/43/244126943.db2.gz ARKCWYNJYBIRCQ-HNNXBMFYSA-N 1 0 336.443 2.570 40 0 EFABRO C[C@]1(COc2cccnc2)C[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]2O1 ZINC000257208209 244140154 /nfs/dbraw/zinc/14/01/54/244140154.db2.gz BLDWAPGDMPGWOG-YZGWKJHDSA-N 1 0 339.439 2.925 40 0 EFABRO CN(C)C(=O)CC[NH+]1CCC(C)(c2csc3nccnc23)CC1 ZINC000257212286 244154152 /nfs/dbraw/zinc/15/41/52/244154152.db2.gz CCRKEKNAQGMZNJ-UHFFFAOYSA-N 1 0 332.473 2.523 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)/C=C/c3cccnc3)C2)[nH+]1 ZINC000257214476 244164918 /nfs/dbraw/zinc/16/49/18/244164918.db2.gz CMCWYQHNPKFJOV-DKRLNXSXSA-N 1 0 336.439 2.880 40 0 EFABRO Cc1nc[nH]c1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257221645 244185592 /nfs/dbraw/zinc/18/55/92/244185592.db2.gz DPZQXJOFBYMHPR-AYOQOUSVSA-N 1 0 342.443 2.562 40 0 EFABRO CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cc1CO ZINC000257221537 244186467 /nfs/dbraw/zinc/18/64/67/244186467.db2.gz DPMIWJCHCQIHNU-OAHLLOKOSA-N 1 0 329.444 2.755 40 0 EFABRO CC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](CCCc1ccccc1)CC2 ZINC000257222716 244190717 /nfs/dbraw/zinc/19/07/17/244190717.db2.gz DUKXPWDRJNLUGP-FQEVSTJZSA-N 1 0 344.499 2.705 40 0 EFABRO Cc1ccncc1C[N@@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257225844 244202504 /nfs/dbraw/zinc/20/25/04/244202504.db2.gz FIDCKZSGABMPML-QGZVFWFLSA-N 1 0 336.439 2.729 40 0 EFABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCCC[N@H+]3C)cc1 ZINC000257228126 244207443 /nfs/dbraw/zinc/20/74/43/244207443.db2.gz FSKGCLNRKAPINK-QZTJIDSGSA-N 1 0 329.444 2.734 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccccc3F)CCO2)[nH+]1 ZINC000257218978 244178536 /nfs/dbraw/zinc/17/85/36/244178536.db2.gz DFCHCJKWEPRGFF-GOSISDBHSA-N 1 0 343.402 2.809 40 0 EFABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)nc(C)n1 ZINC000257231847 244217988 /nfs/dbraw/zinc/21/79/88/244217988.db2.gz GIJMAMMODICKCM-SFHVURJKSA-N 1 0 342.443 2.535 40 0 EFABRO COc1cc(C[N@H+]2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)ccc1F ZINC000257236742 244232931 /nfs/dbraw/zinc/23/29/31/244232931.db2.gz HDOCWKPHNSHSFI-HLLBOEOZSA-N 1 0 342.418 2.947 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 ZINC000257239339 244238117 /nfs/dbraw/zinc/23/81/17/244238117.db2.gz HOVNQNVWQUGGAB-PMACEKPBSA-N 1 0 341.455 2.760 40 0 EFABRO COc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000020107675 212101523 /nfs/dbraw/zinc/10/15/23/212101523.db2.gz ZDTIVOFXYGSPTB-INIZCTEOSA-N 1 0 334.460 2.845 40 0 EFABRO O[C@@H]1CCCOC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257250613 244267750 /nfs/dbraw/zinc/26/77/50/244267750.db2.gz JNHKSMNMYUYUFR-QGZVFWFLSA-N 1 0 327.428 2.583 40 0 EFABRO CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257250145 244267864 /nfs/dbraw/zinc/26/78/64/244267864.db2.gz JLEZKNVVHXGMAO-ZJOUEHCJSA-N 1 0 344.499 2.850 40 0 EFABRO O[C@H]1CCCOC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257250612 244268878 /nfs/dbraw/zinc/26/88/78/244268878.db2.gz JNHKSMNMYUYUFR-KRWDZBQOSA-N 1 0 327.428 2.583 40 0 EFABRO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CC[N@H+](Cc4cncs4)C3)n2)n1 ZINC000257258426 244289869 /nfs/dbraw/zinc/28/98/69/244289869.db2.gz KTUQOWCBXSUNTM-CYBMUJFWSA-N 1 0 340.456 2.930 40 0 EFABRO Cc1ncsc1C(=O)N1CCC[C@H](c2cc3c[nH+]cn3c(C)n2)C1 ZINC000257258544 244290305 /nfs/dbraw/zinc/29/03/05/244290305.db2.gz KULDPGUKBXRVSQ-ZDUSSCGKSA-N 1 0 341.440 2.822 40 0 EFABRO COc1cccc(CNc2cc(CC3CC[NH2+]CC3)nc(C)n2)c1 ZINC000257269855 244374652 /nfs/dbraw/zinc/37/46/52/244374652.db2.gz MRRBACCZDICXHH-UHFFFAOYSA-N 1 0 326.444 2.948 40 0 EFABRO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257270726 244376843 /nfs/dbraw/zinc/37/68/43/244376843.db2.gz MVKYDYCRRVTPLM-INIZCTEOSA-N 1 0 325.460 2.701 40 0 EFABRO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257270727 244376894 /nfs/dbraw/zinc/37/68/94/244376894.db2.gz MVKYDYCRRVTPLM-MRXNPFEDSA-N 1 0 325.460 2.701 40 0 EFABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2scnc2C)n1 ZINC000257265084 244358739 /nfs/dbraw/zinc/35/87/39/244358739.db2.gz LXGWQFVVCQGPPF-MRXNPFEDSA-N 1 0 330.457 2.820 40 0 EFABRO COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)cc1 ZINC000257271825 244380108 /nfs/dbraw/zinc/38/01/08/244380108.db2.gz MZXWXXPWDDVKIH-ICSRJNTNSA-N 1 0 346.471 2.939 40 0 EFABRO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)n1 ZINC000257272477 244383000 /nfs/dbraw/zinc/38/30/00/244383000.db2.gz NCOCSTKKIDZWEQ-OAHLLOKOSA-N 1 0 334.427 2.950 40 0 EFABRO Cc1c[nH]c(-c2cncc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)n1 ZINC000257272476 244383743 /nfs/dbraw/zinc/38/37/43/244383743.db2.gz NCOCSTKKIDZWEQ-HNNXBMFYSA-N 1 0 334.427 2.950 40 0 EFABRO Cc1nccc([C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257272327 244384122 /nfs/dbraw/zinc/38/41/22/244384122.db2.gz NCADJAOGMZTVGB-KRWDZBQOSA-N 1 0 327.428 2.536 40 0 EFABRO Cc1noc2nc(C)cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)c12 ZINC000257275077 244388259 /nfs/dbraw/zinc/38/82/59/244388259.db2.gz NNURRHZCMRMTPL-FIIQBIKZSA-N 1 0 340.427 2.585 40 0 EFABRO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H](c4ccnc(C)n4)C3)c2n1 ZINC000257277525 244397811 /nfs/dbraw/zinc/39/78/11/244397811.db2.gz NYHDKQFXYSLENU-INIZCTEOSA-N 1 0 336.443 2.824 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746721 212061065 /nfs/dbraw/zinc/06/10/65/212061065.db2.gz BTPICVFFJRDOSP-IBGZPJMESA-N 1 0 330.476 2.784 40 0 EFABRO CCn1cncc1CN(Cc1ccccn1)C[C@@H]1CCC[N@@H+]1CC ZINC000019578566 212047177 /nfs/dbraw/zinc/04/71/77/212047177.db2.gz VRODXLXMQPMBSJ-SFHVURJKSA-N 1 0 327.476 2.785 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590369 212049562 /nfs/dbraw/zinc/04/95/62/212049562.db2.gz OMHVTJPWKDYGGY-INIZCTEOSA-N 1 0 342.487 2.751 40 0 EFABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)CC2CCCC2)C3)CC1 ZINC000019588256 212049202 /nfs/dbraw/zinc/04/92/02/212049202.db2.gz MCDOEZAWBNWRAJ-UHFFFAOYSA-N 1 0 342.487 2.751 40 0 EFABRO COCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019590808 212048217 /nfs/dbraw/zinc/04/82/17/212048217.db2.gz DZWXGGZIWCQZRA-SCTDSRPQSA-N 1 0 334.435 2.641 40 0 EFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079410224 284194036 /nfs/dbraw/zinc/19/40/36/284194036.db2.gz MEELSOBURCLVDH-ILXRZTDVSA-N 1 0 341.496 2.654 40 0 EFABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575280 212045616 /nfs/dbraw/zinc/04/56/16/212045616.db2.gz ZKMWMTWZZGIFCD-KBAYOESNSA-N 1 0 349.478 2.971 40 0 EFABRO Cc1nn([C@@H](C)CC(=O)NCC2CC[NH+](C(C)C)CC2)c(C)c1C ZINC000019556207 212042759 /nfs/dbraw/zinc/04/27/59/212042759.db2.gz OEURWWQZZIINKL-AWEZNQCLSA-N 1 0 334.508 2.996 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)c(C)c(=O)[nH]2)C1 ZINC000019555419 212040313 /nfs/dbraw/zinc/04/03/13/212040313.db2.gz UDLXPAQTRWQGLT-INIZCTEOSA-N 1 0 327.428 2.775 40 0 EFABRO CC[NH+]1CCN([C@@H](CC(C)C)c2nnnn2C2CCCCC2)CC1 ZINC000019527892 212039645 /nfs/dbraw/zinc/03/96/45/212039645.db2.gz GWRITSQFQUDUDK-KRWDZBQOSA-N 1 0 334.512 2.903 40 0 EFABRO CC[C@@H](c1nnnn1CCC(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019500634 212033599 /nfs/dbraw/zinc/03/35/99/212033599.db2.gz PFBVRTGOALXPOW-KRWDZBQOSA-N 1 0 334.512 2.731 40 0 EFABRO CC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019500594 212033442 /nfs/dbraw/zinc/03/34/42/212033442.db2.gz BEXRAVOPCUHJJV-KRWDZBQOSA-N 1 0 332.496 2.800 40 0 EFABRO c1cc(CN2CCCC[C@@H]2C[NH+]2CCCCC2)nc(N2CCCC2)n1 ZINC000019369614 212022730 /nfs/dbraw/zinc/02/27/30/212022730.db2.gz QAWKLLYESJUVRX-LJQANCHMSA-N 1 0 343.519 2.917 40 0 EFABRO Fc1ccc(-c2cc(C[NH2+]CCc3ccco3)c3nnnn3c2)cc1 ZINC000019342281 212018741 /nfs/dbraw/zinc/01/87/41/212018741.db2.gz QMDPUNSACXUKMY-UHFFFAOYSA-N 1 0 337.358 2.856 40 0 EFABRO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000019338744 212017982 /nfs/dbraw/zinc/01/79/82/212017982.db2.gz GHIAPJZHPTYJCS-PMSBKCLSSA-N 1 0 348.450 2.989 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000019334176 212017190 /nfs/dbraw/zinc/01/71/90/212017190.db2.gz QGFQTSUMQAUSNB-QGZVFWFLSA-N 1 0 338.390 2.539 40 0 EFABRO Cc1ccsc1C[N@H+]1CCc2nc3ccccc3c(=O)n2CC1 ZINC000019238710 212008155 /nfs/dbraw/zinc/00/81/55/212008155.db2.gz ZEMRPLWBGCZDJY-UHFFFAOYSA-N 1 0 325.437 2.825 40 0 EFABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019082707 212000242 /nfs/dbraw/zinc/00/02/42/212000242.db2.gz FTYXQYDGLFPITN-CQSZACIVSA-N 1 0 330.476 2.607 40 0 EFABRO CC(C)C(=O)NCCn1nc(-c2ccccc2F)cc1C[NH+](C)C ZINC000019086193 212000097 /nfs/dbraw/zinc/00/00/97/212000097.db2.gz IBEVHVOTAVKPLX-UHFFFAOYSA-N 1 0 332.423 2.523 40 0 EFABRO CCS[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000078289483 217038382 /nfs/dbraw/zinc/03/83/82/217038382.db2.gz SPLRMTLHHABSJG-CVEARBPZSA-N 1 0 325.522 2.977 40 0 EFABRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1OCC1CC1 ZINC000078394143 217046515 /nfs/dbraw/zinc/04/65/15/217046515.db2.gz MLKVXYNPVSSSII-GOSISDBHSA-N 1 0 341.455 2.831 40 0 EFABRO CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000078553430 217075429 /nfs/dbraw/zinc/07/54/29/217075429.db2.gz VRIHTNSFWROWII-UHFFFAOYSA-N 1 0 338.860 2.679 40 0 EFABRO CC(C)Oc1ccccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000078557396 217077351 /nfs/dbraw/zinc/07/73/51/217077351.db2.gz FAPCCBCVJGXDIS-UHFFFAOYSA-N 1 0 325.412 2.831 40 0 EFABRO Cn1cc(C[NH2+]CCOc2ccc(F)c(F)c2)c(-c2ccncc2)n1 ZINC000078604192 217085182 /nfs/dbraw/zinc/08/51/82/217085182.db2.gz ISLUKKTXLLIEOI-UHFFFAOYSA-N 1 0 344.365 2.929 40 0 EFABRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2cccnc2)cc1 ZINC000078663150 217096587 /nfs/dbraw/zinc/09/65/87/217096587.db2.gz MICYBEVQCORDKM-UHFFFAOYSA-N 1 0 332.469 2.943 40 0 EFABRO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000078996647 217169777 /nfs/dbraw/zinc/16/97/77/217169777.db2.gz GEYZLARRRKXHFC-RDTXWAMCSA-N 1 0 340.471 2.879 40 0 EFABRO C[C@@H]([NH2+]Cc1cccnc1N1CCC[C@@H](C(N)=O)C1)c1cccs1 ZINC000110687082 220056723 /nfs/dbraw/zinc/05/67/23/220056723.db2.gz JMFPVLVYZOLRDW-UKRRQHHQSA-N 1 0 344.484 2.696 40 0 EFABRO CC(C)N(CC[NH3+])[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391849 217219387 /nfs/dbraw/zinc/21/93/87/217219387.db2.gz NSNJJHAYNYRHKN-ZWKOTPCHSA-N 1 0 333.476 2.893 40 0 EFABRO CC(C)N(C[C@@H]1CCCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411163 217221470 /nfs/dbraw/zinc/22/14/70/217221470.db2.gz GAVLVXZZRTYWJM-SFHVURJKSA-N 1 0 334.460 2.880 40 0 EFABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000079411216 217222220 /nfs/dbraw/zinc/22/22/20/217222220.db2.gz QAYHTOMTVWMTRT-MSOLQXFVSA-N 1 0 334.460 2.927 40 0 EFABRO O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000079411332 217222223 /nfs/dbraw/zinc/22/22/23/217222223.db2.gz SYBMOKJOIVMQFC-QZTJIDSGSA-N 1 0 332.444 2.681 40 0 EFABRO CC(C)N(CC1CC[NH+](CCO)CC1)C(=O)OCc1ccccc1 ZINC000079411189 217222273 /nfs/dbraw/zinc/22/22/73/217222273.db2.gz HFBNRPBBYMIHAR-UHFFFAOYSA-N 1 0 334.460 2.738 40 0 EFABRO CC[C@@H](NC(=O)NCC[NH+]1CCC(OC)CC1)c1ccc(C)cc1 ZINC000080057158 217275676 /nfs/dbraw/zinc/27/56/76/217275676.db2.gz XVRJZBLWDGXEGL-GOSISDBHSA-N 1 0 333.476 2.856 40 0 EFABRO O=C(c1ccccc1OC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081037467 217355089 /nfs/dbraw/zinc/35/50/89/217355089.db2.gz BPQPEEBBLWXVCE-UHFFFAOYSA-N 1 0 344.455 2.555 40 0 EFABRO Cc1ccc(CC(=O)N2Cc3ccccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000012366112 211356817 /nfs/dbraw/zinc/35/68/17/211356817.db2.gz XSHUCFDXPGHXAG-LJQANCHMSA-N 1 0 338.451 2.889 40 0 EFABRO Cc1ccc(CC(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000012366113 211356827 /nfs/dbraw/zinc/35/68/27/211356827.db2.gz XSHUCFDXPGHXAG-IBGZPJMESA-N 1 0 338.451 2.889 40 0 EFABRO Cn1c2ccc(C[NH2+]C3(c4cccc(F)c4)CC3)cc2n(C)c1=O ZINC000012361998 211355405 /nfs/dbraw/zinc/35/54/05/211355405.db2.gz YKIBSONIEFPUQI-UHFFFAOYSA-N 1 0 325.387 2.795 40 0 EFABRO O=C1CC[C@H](c2nc(C3CC[NH+](Cc4ccccc4F)CC3)no2)N1 ZINC000012337474 211350563 /nfs/dbraw/zinc/35/05/63/211350563.db2.gz YAOKGGXDKHRVSJ-OAHLLOKOSA-N 1 0 344.390 2.539 40 0 EFABRO CC(C)n1nccc1C(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012201664 211318728 /nfs/dbraw/zinc/31/87/28/211318728.db2.gz KWEVRBNQCYUPDN-UHFFFAOYSA-N 1 0 344.434 2.998 40 0 EFABRO CC(C)NC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012220217 211321907 /nfs/dbraw/zinc/32/19/07/211321907.db2.gz RQIPOOFYQMGLBZ-APWZRJJASA-N 1 0 347.434 2.603 40 0 EFABRO Cc1sc2nc(C)n3c(nn(CC[NH+]4CCCCC4)c3=O)c2c1C ZINC000012144888 211304999 /nfs/dbraw/zinc/30/49/99/211304999.db2.gz NLOZUCBXXXKYED-UHFFFAOYSA-N 1 0 345.472 2.517 40 0 EFABRO Cc1cc(C[N@H+](CCO)Cc2cccnc2)c(C)n1-c1cccnc1 ZINC000012144445 211304599 /nfs/dbraw/zinc/30/45/99/211304599.db2.gz WLMQNZFHXJQXML-UHFFFAOYSA-N 1 0 336.439 2.879 40 0 EFABRO Cc1cc2nc(C3CC[NH+](Cc4cccc(O)c4)CC3)cc(N)n2n1 ZINC000012121491 211300470 /nfs/dbraw/zinc/30/04/70/211300470.db2.gz TZWPSGRUQCHQAF-UHFFFAOYSA-N 1 0 337.427 2.705 40 0 EFABRO COCC(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000012127732 211299241 /nfs/dbraw/zinc/29/92/41/211299241.db2.gz SCIBTMNDMKMGIH-UHFFFAOYSA-N 1 0 344.459 2.897 40 0 EFABRO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113981 211292931 /nfs/dbraw/zinc/29/29/31/211292931.db2.gz ZYDQVSHHKIXKGI-HNNXBMFYSA-N 1 0 344.455 2.996 40 0 EFABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCC[NH2+]C1 ZINC000012157434 211308893 /nfs/dbraw/zinc/30/88/93/211308893.db2.gz HQJWIOJBPGSGDN-APWZRJJASA-N 1 0 330.428 2.811 40 0 EFABRO Fc1ccc(OCCN2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000091676197 218046107 /nfs/dbraw/zinc/04/61/07/218046107.db2.gz YLJBMXFCYCNCCP-CQSZACIVSA-N 1 0 342.842 2.512 40 0 EFABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(C)ccc3O)CC2)nc1 ZINC000091687203 218046337 /nfs/dbraw/zinc/04/63/37/218046337.db2.gz SIVKUYGRPBOMDF-UHFFFAOYSA-N 1 0 340.427 2.650 40 0 EFABRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1nccs1 ZINC000091727189 218054518 /nfs/dbraw/zinc/05/45/18/218054518.db2.gz JEHZMIAFPJEELT-BXKDBHETSA-N 1 0 340.832 2.952 40 0 EFABRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666333 218156987 /nfs/dbraw/zinc/15/69/87/218156987.db2.gz GOGIOPOTUBKFRB-ROUUACIJSA-N 1 0 347.551 2.629 40 0 EFABRO O=C(NCCc1cccs1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092853479 218177278 /nfs/dbraw/zinc/17/72/78/218177278.db2.gz ZMQKKCJZDQYHHZ-UHFFFAOYSA-N 1 0 344.484 2.901 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1 ZINC000009834080 211127166 /nfs/dbraw/zinc/12/71/66/211127166.db2.gz RGELVVYLVGWAAW-SFHVURJKSA-N 1 0 334.423 2.905 40 0 EFABRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c(Br)cc1O ZINC000093840416 218252710 /nfs/dbraw/zinc/25/27/10/218252710.db2.gz JIGLTPDLBYPQNM-JTQLQIEISA-N 1 0 330.222 2.632 40 0 EFABRO C[C@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101101 218282078 /nfs/dbraw/zinc/28/20/78/218282078.db2.gz IVMIZRRGJJXTJM-SFHVURJKSA-N 1 0 343.467 2.873 40 0 EFABRO C[NH+]1CCN(c2ccc(F)cc2CNC(=O)CCC(F)(F)F)CC1 ZINC000095403518 218338938 /nfs/dbraw/zinc/33/89/38/218338938.db2.gz VHXDWGFSJFYZIL-UHFFFAOYSA-N 1 0 347.356 2.536 40 0 EFABRO C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000095421325 218362662 /nfs/dbraw/zinc/36/26/62/218362662.db2.gz VSYUIROFCKOOBU-IINYFYTJSA-N 1 0 327.306 2.759 40 0 EFABRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095422517 218365060 /nfs/dbraw/zinc/36/50/60/218365060.db2.gz UHWLZPFAXRIWMN-GXTWGEPZSA-N 1 0 343.393 2.741 40 0 EFABRO C[C@H](C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCSCC1 ZINC000095435616 218377495 /nfs/dbraw/zinc/37/74/95/218377495.db2.gz CKAAUSZZOWAVHS-SOLBZPMBSA-N 1 0 348.512 2.708 40 0 EFABRO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1I ZINC000007990224 210877659 /nfs/dbraw/zinc/87/76/59/210877659.db2.gz FJLHPJNYYFYZHG-UHFFFAOYSA-N 1 0 332.185 2.618 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2nccs2)CCO3)o1 ZINC000096048978 218538618 /nfs/dbraw/zinc/53/86/18/218538618.db2.gz BZMOJMYLDDQKNN-UHFFFAOYSA-N 1 0 347.484 2.912 40 0 EFABRO CCOC[C@H]1CCC2(CCN(C(=O)C3CCSCC3)CC2)[N@@H+]1C ZINC000096208346 218684669 /nfs/dbraw/zinc/68/46/69/218684669.db2.gz CLWNXHXHBBLNST-MRXNPFEDSA-N 1 0 340.533 2.622 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3NC(=O)CC3CC3)CC2)o1 ZINC000096219176 218695009 /nfs/dbraw/zinc/69/50/09/218695009.db2.gz VBMYXVAELSLRTI-SFHVURJKSA-N 1 0 346.471 2.875 40 0 EFABRO O=C1[C@H]2CCCN2C(=O)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000253419948 285007113 /nfs/dbraw/zinc/00/71/13/285007113.db2.gz APFQYFLJFGNVPF-MRXNPFEDSA-N 1 0 347.846 2.731 40 0 EFABRO CC(C)c1nc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cs1 ZINC000096436377 218815275 /nfs/dbraw/zinc/81/52/75/218815275.db2.gz PXKFOBAVIFBWEK-OAHLLOKOSA-N 1 0 339.505 2.676 40 0 EFABRO CC[C@@H](C[NH2+]C1CCN(C(=O)N(C)C)CC1)Oc1ccccc1C ZINC000096490772 218867626 /nfs/dbraw/zinc/86/76/26/218867626.db2.gz XVBYHBDXSAVJKL-KRWDZBQOSA-N 1 0 333.476 2.888 40 0 EFABRO O=C(NCCC[NH2+][C@@H]1CCSC1)c1ccc(Br)cc1 ZINC000096476931 218854293 /nfs/dbraw/zinc/85/42/93/218854293.db2.gz RFUCGNZHOXBKPN-CYBMUJFWSA-N 1 0 343.290 2.664 40 0 EFABRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@H]([NH3+])C2)o1 ZINC000097020000 218917255 /nfs/dbraw/zinc/91/72/55/218917255.db2.gz YEPNNPOVRZKHPR-AWEZNQCLSA-N 1 0 336.395 2.614 40 0 EFABRO CSc1cncc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000132299620 533067219 /nfs/dbraw/zinc/06/72/19/533067219.db2.gz QTTPLQCQJRXXKO-ZFWWWQNUSA-N 1 0 329.473 2.916 40 0 EFABRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000005063843 210380267 /nfs/dbraw/zinc/38/02/67/210380267.db2.gz ITNRFSFKGBWFIP-RTBURBONSA-N 1 0 337.419 2.702 40 0 EFABRO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([N@@H+](C)C3CCCCC3)C2=O)cc1 ZINC000005043862 210372402 /nfs/dbraw/zinc/37/24/02/210372402.db2.gz XUQLWSMKJRNVJF-QGZVFWFLSA-N 1 0 343.427 2.541 40 0 EFABRO C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(O)(c2ccccc2F)CC1 ZINC000004967552 210341828 /nfs/dbraw/zinc/34/18/28/210341828.db2.gz VBWFUJBANZVJRM-YJBOKZPZSA-N 1 0 348.462 2.804 40 0 EFABRO Cc1c(C[NH2+][C@H](C)c2cc(F)ccc2N2CCOCC2)cnn1C ZINC000097229842 219000287 /nfs/dbraw/zinc/00/02/87/219000287.db2.gz FYWMQTCZHBDOEE-CYBMUJFWSA-N 1 0 332.423 2.555 40 0 EFABRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000097375069 219018025 /nfs/dbraw/zinc/01/80/25/219018025.db2.gz CFSOAKNTEIODJR-SJORKVTESA-N 1 0 344.480 2.717 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000097375045 219018494 /nfs/dbraw/zinc/01/84/94/219018494.db2.gz MZEKEGCEEXRPMX-ISARSNTHSA-N 1 0 349.496 2.607 40 0 EFABRO CO[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000190200795 533088950 /nfs/dbraw/zinc/08/89/50/533088950.db2.gz KIGNILFCAYSNBD-CYBMUJFWSA-N 1 0 339.867 2.639 40 0 EFABRO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(O)CC1 ZINC000022011105 285307348 /nfs/dbraw/zinc/30/73/48/285307348.db2.gz YQYMPSBTQIUQPX-LJQANCHMSA-N 1 0 327.424 2.550 40 0 EFABRO CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C2CCCCC2)CC1 ZINC000019527893 285335766 /nfs/dbraw/zinc/33/57/66/285335766.db2.gz GWRITSQFQUDUDK-QGZVFWFLSA-N 1 0 334.512 2.903 40 0 EFABRO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC2)c1 ZINC000036741399 132393105 /nfs/dbraw/zinc/39/31/05/132393105.db2.gz WDFNEEPNPXMREC-HXUWFJFHSA-N 1 0 338.451 2.786 40 0 EFABRO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000036389773 292124019 /nfs/dbraw/zinc/12/40/19/292124019.db2.gz DIQJGOVLBDMMOU-UONOGXRCSA-N 1 0 328.453 2.675 40 0 EFABRO Cc1ccc(OCC(=O)N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169309812 226240034 /nfs/dbraw/zinc/24/00/34/226240034.db2.gz PSSBCZKPPVJWCN-IPMKNSEASA-N 1 0 340.467 2.730 40 0 EFABRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCSCC1 ZINC000171364611 227042625 /nfs/dbraw/zinc/04/26/25/227042625.db2.gz RFRRGTDSFPGSFP-QGZVFWFLSA-N 1 0 347.528 2.746 40 0 EFABRO O=C(NCC1CC[NH2+]CC1)c1cc(Cl)ccc1Br ZINC000120622034 221629868 /nfs/dbraw/zinc/62/98/68/221629868.db2.gz LSDOOCOVHLHHAF-UHFFFAOYSA-N 1 0 331.641 2.832 40 0 EFABRO C[N@H+](CCC1OCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000123912750 222351360 /nfs/dbraw/zinc/35/13/60/222351360.db2.gz UDUITLRQYCVITD-DZGCQCFKSA-N 1 0 332.227 2.646 40 0 EFABRO Cc1cc(N2CCC([N@H+](C)CCn3ccnc3)CC2)nc(C(C)C)n1 ZINC000096487479 544559372 /nfs/dbraw/zinc/55/93/72/544559372.db2.gz WURDGDDOCVBHEH-UHFFFAOYSA-N 1 0 342.491 2.706 40 0 EFABRO FC(F)(F)c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nn1 ZINC000096489035 544559944 /nfs/dbraw/zinc/55/99/44/544559944.db2.gz MEBRCSVGINZYJF-ZDUSSCGKSA-N 1 0 344.381 2.577 40 0 EFABRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000155760097 292642464 /nfs/dbraw/zinc/64/24/64/292642464.db2.gz MOCQSSHZFYTMEI-IEBWSBKVSA-N 1 0 332.488 2.916 40 0 EFABRO COc1cc2cccnc2c(NC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000004522434 274102987 /nfs/dbraw/zinc/10/29/87/274102987.db2.gz YCWCNAAVGPTVAY-GOEBONIOSA-N 1 0 329.444 2.891 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC000096255442 274109990 /nfs/dbraw/zinc/10/99/90/274109990.db2.gz IDCVZXYFAWUUJV-UHFFFAOYSA-N 1 0 338.455 2.686 40 0 EFABRO COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c(Br)c1 ZINC000096493409 274117461 /nfs/dbraw/zinc/11/74/61/274117461.db2.gz GVQQEFUAAJUAFF-QWRGUYRKSA-N 1 0 341.249 2.729 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)[nH+]1 ZINC000257301512 274703146 /nfs/dbraw/zinc/70/31/46/274703146.db2.gz RYUGOKIHRXMJCZ-CQSZACIVSA-N 1 0 338.333 2.964 40 0 EFABRO Cc1nocc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000096079741 274875387 /nfs/dbraw/zinc/87/53/87/274875387.db2.gz VYZHZOOAFIUECN-INIZCTEOSA-N 1 0 341.411 2.701 40 0 EFABRO O=C(c1nc2c(s1)CC[N@H+](CC1CCCC1)CC2)N1CCCC1 ZINC000096187589 275016203 /nfs/dbraw/zinc/01/62/03/275016203.db2.gz JLKJPFBEWSNGEL-UHFFFAOYSA-N 1 0 333.501 2.970 40 0 EFABRO c1ccc(O[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096107352 275068025 /nfs/dbraw/zinc/06/80/25/275068025.db2.gz DZOAMVYRYYSCCL-MJGOQNOKSA-N 1 0 325.412 2.679 40 0 EFABRO c1ccc(O[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096107353 275068136 /nfs/dbraw/zinc/06/81/36/275068136.db2.gz LGLCLGZYKHELCR-MJGOQNOKSA-N 1 0 325.412 2.679 40 0 EFABRO CC[NH+]1CCC2(C[C@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096161254 276152364 /nfs/dbraw/zinc/15/23/64/276152364.db2.gz GGMULQZVHHOTKV-KRWDZBQOSA-N 1 0 342.483 2.776 40 0 EFABRO CN1C(=O)CCC[C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CC[C@H]21 ZINC000257289470 277006355 /nfs/dbraw/zinc/00/63/55/277006355.db2.gz PYTNUJANHKKCDG-ZWKOTPCHSA-N 1 0 326.440 2.795 40 0 EFABRO CO[C@H]1CCCOC12CC[NH+](Cc1c(C)nc3sccn13)CC2 ZINC000257273457 277739945 /nfs/dbraw/zinc/73/99/45/277739945.db2.gz NGQGWGDPWVDZTP-HNNXBMFYSA-N 1 0 335.473 2.864 40 0 EFABRO COc1cc2c(cc1O)C[C@H]1[NH2+]CCc3cc(OC)c(OC)c-2c31 ZINC000002015502 277852750 /nfs/dbraw/zinc/85/27/50/277852750.db2.gz GVVXPMORGFYVOO-CYBMUJFWSA-N 1 0 327.380 2.828 40 0 endogenous,in-man EFABRO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@H+](CC3CC3)C2)C1 ZINC000012365388 278073884 /nfs/dbraw/zinc/07/38/84/278073884.db2.gz IELQPLVYUSWBSW-FQEVSTJZSA-N 1 0 328.456 2.981 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1CN(C(=O)OC(C)(C)C)C(C)C ZINC000079410249 280272871 /nfs/dbraw/zinc/27/28/71/280272871.db2.gz GYIPKTDGVLFJQF-GJZGRUSLSA-N 1 0 341.496 2.606 40 0 EFABRO CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222728104 289860646 /nfs/dbraw/zinc/86/06/46/289860646.db2.gz FFZLJAYGOGLDAP-DLBZAZTESA-N 1 0 335.436 2.870 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)N2CCCCCC2)[C@]2(C1)CCc1ccccc1C2=O ZINC000019590821 290261267 /nfs/dbraw/zinc/26/12/67/290261267.db2.gz SPTWJGWUTKFZQK-GHTZIAJQSA-N 1 0 340.467 2.766 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245952087 293513286 /nfs/dbraw/zinc/51/32/86/293513286.db2.gz LIMXGPNKFZCNHR-ZNMIVQPWSA-N 1 0 349.479 2.704 40 0 EFABRO CO[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000078917882 294193410 /nfs/dbraw/zinc/19/34/10/294193410.db2.gz ZVFUJTDFAFWRMV-SFHVURJKSA-N 1 0 346.471 2.525 40 0 EFABRO Cc1cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc(C)c1F 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340.349 2.574 40 0 EFABRO CCN1CC[C@H]([NH2+]C2CCN(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123696474 323216484 /nfs/dbraw/zinc/21/64/84/323216484.db2.gz VGCPTLVXNDXEMQ-WMZOPIPTSA-N 1 0 341.421 2.923 40 0 EFABRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000127902224 323217765 /nfs/dbraw/zinc/21/77/65/323217765.db2.gz HAFHNRBMUJQACW-OPRDCNLKSA-N 1 0 332.288 2.860 40 0 EFABRO Cn1ccnc1[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000128086065 323217776 /nfs/dbraw/zinc/21/77/76/323217776.db2.gz MKQLNEIKCFAOSB-LSDHHAIUSA-N 1 0 334.464 2.860 40 0 EFABRO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1ccc(Cl)cc1 ZINC000130197862 323218283 /nfs/dbraw/zinc/21/82/83/323218283.db2.gz MTUWOOPNVUNWTI-KGLIPLIRSA-N 1 0 339.867 2.700 40 0 EFABRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000189502836 323447805 /nfs/dbraw/zinc/44/78/05/323447805.db2.gz ZBQUWXVVDYQYBW-ARFHVFGLSA-N 1 0 336.505 2.569 40 0 EFABRO C[C@@H](C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 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339.439 2.927 40 0 EFABRO c1ccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040256 473260856 /nfs/dbraw/zinc/26/08/56/473260856.db2.gz KFKDUGIPYWWTAH-PMACEKPBSA-N 1 0 346.471 2.648 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCC3)C2)cn1 ZINC000096040282 473261959 /nfs/dbraw/zinc/26/19/59/473261959.db2.gz NPZVKGKWKHXSNQ-RTBURBONSA-N 1 0 333.476 2.608 40 0 EFABRO O=C(NCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccco2)C1 ZINC000096041285 473262216 /nfs/dbraw/zinc/26/22/16/473262216.db2.gz JWAYOTIJDABOJV-IAOVAPTHSA-N 1 0 346.452 2.637 40 0 EFABRO O=C(NCc1ccco1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096043248 473264524 /nfs/dbraw/zinc/26/45/24/473264524.db2.gz QTEFTTNHWRFLSB-UAGQMJEPSA-N 1 0 346.452 2.637 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046356 473267427 /nfs/dbraw/zinc/26/74/27/473267427.db2.gz OJBQEPDZUAFZMT-JCGIZDLHSA-N 1 0 328.416 2.742 40 0 EFABRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096047408 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O=C(COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccoc1)C2)N1CCCC1 ZINC000096207090 473343743 /nfs/dbraw/zinc/34/37/43/473343743.db2.gz GHNCEQVPBFABGI-MJGOQNOKSA-N 1 0 332.444 2.521 40 0 EFABRO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000083249870 473340440 /nfs/dbraw/zinc/34/04/40/473340440.db2.gz QOPJUWQDWGQKGW-KXBFYZLASA-N 1 0 340.423 2.720 40 0 EFABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)c1ccco1 ZINC000096205959 473341292 /nfs/dbraw/zinc/34/12/92/473341292.db2.gz PIACLUGHOJPHJY-CRAIPNDOSA-N 1 0 346.452 2.895 40 0 EFABRO Cc1cc(CN2CCC3(C[C@@H](COCC4CC4)[N@H+](C)C3)CC2)no1 ZINC000096206397 473341398 /nfs/dbraw/zinc/34/13/98/473341398.db2.gz ULOCGRWIRWZIGG-SFHVURJKSA-N 1 0 333.476 2.696 40 0 EFABRO COC[C@@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@@H+]1CC1CC1 ZINC000096207351 473341953 /nfs/dbraw/zinc/34/19/53/473341953.db2.gz DACRIBDLQZOVCK-SFHVURJKSA-N 1 0 332.488 2.835 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@@H+]1CC1CC1 ZINC000096207352 473342662 /nfs/dbraw/zinc/34/26/62/473342662.db2.gz DACRIBDLQZOVCK-GOSISDBHSA-N 1 0 332.488 2.835 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@H]21)NCc1cccs1 ZINC000096208634 473345446 /nfs/dbraw/zinc/34/54/46/473345446.db2.gz AKGKPJKZWHJWPF-OIISXLGYSA-N 1 0 334.485 2.501 40 0 EFABRO O=C(C1CCC1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC000096216309 473347561 /nfs/dbraw/zinc/34/75/61/473347561.db2.gz VXHUYHLXWZAGOU-PZJWPPBQSA-N 1 0 346.515 2.774 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccnc2)C1 ZINC000096214902 473347862 /nfs/dbraw/zinc/34/78/62/473347862.db2.gz VRQWZIQBWLJYRX-HXUWFJFHSA-N 1 0 338.455 2.691 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](COc3ccncc3)[C@H]2C1 ZINC000096216559 473349001 /nfs/dbraw/zinc/34/90/01/473349001.db2.gz ZFNCDBKVEXEACW-DJIMGWMZSA-N 1 0 330.453 2.977 40 0 EFABRO c1coc(C[NH+]2CCC3(CCOC[C@H]3COc3cnccn3)CC2)c1 ZINC000096216673 473350068 /nfs/dbraw/zinc/35/00/68/473350068.db2.gz FPTDFSAKXGLJOX-INIZCTEOSA-N 1 0 343.427 2.767 40 0 EFABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)c3cc4ccccc4o3)C2)C1 ZINC000096217841 473350299 /nfs/dbraw/zinc/35/02/99/473350299.db2.gz ZNODPPWYLOXEJV-OXQOHEQNSA-N 1 0 342.439 2.863 40 0 EFABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccc3ccccc3n1)C2 ZINC000096217919 473350492 /nfs/dbraw/zinc/35/04/92/473350492.db2.gz QCIHNZJPPNJGQP-FXAWDEMLSA-N 1 0 325.456 2.635 40 0 EFABRO COc1cc(N2CCC[C@]3(CC[N@H+](Cc4ccoc4)C3)C2)ncn1 ZINC000096216500 473350613 /nfs/dbraw/zinc/35/06/13/473350613.db2.gz ITCAQMSCZCLZRM-GOSISDBHSA-N 1 0 328.416 2.571 40 0 EFABRO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12)Nc1cccnc1 ZINC000096218920 473350956 /nfs/dbraw/zinc/35/09/56/473350956.db2.gz BODVDXAFIMPQCW-KBRIMQKVSA-N 1 0 343.452 2.619 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)o1 ZINC000096219302 473351826 /nfs/dbraw/zinc/35/18/26/473351826.db2.gz AWUXNYMOXHREEV-OTWHNJEPSA-N 1 0 328.412 2.932 40 0 EFABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096219659 473352115 /nfs/dbraw/zinc/35/21/15/473352115.db2.gz FLEVCERPNJKUPS-FUHWJXTLSA-N 1 0 346.381 2.600 40 0 EFABRO Cc1nnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](C)C3)CC2)s1 ZINC000096220784 473353447 /nfs/dbraw/zinc/35/34/47/473353447.db2.gz HVHZKCOPSHQRFX-OAHLLOKOSA-N 1 0 336.505 2.564 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096219912 473353559 /nfs/dbraw/zinc/35/35/59/473353559.db2.gz ZVMUGAHXQGWYKI-UYAOXDASSA-N 1 0 328.456 2.507 40 0 EFABRO CC(C)C(=O)N[C@H]1COC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000096220695 473354360 /nfs/dbraw/zinc/35/43/60/473354360.db2.gz BZTJUOMHXRBHFO-GOSISDBHSA-N 1 0 330.472 2.625 40 0 EFABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096224437 473355215 /nfs/dbraw/zinc/35/52/15/473355215.db2.gz RBJUKRQIBOUTGU-LJQANCHMSA-N 1 0 325.412 2.689 40 0 EFABRO Fc1cccnc1N[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096223003 473355601 /nfs/dbraw/zinc/35/56/01/473355601.db2.gz QPMYOHBLITWRLZ-QFBILLFUSA-N 1 0 342.418 2.851 40 0 EFABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)s1 ZINC000096224635 473355621 /nfs/dbraw/zinc/35/56/21/473355621.db2.gz YLZPALMURUOYER-GOSISDBHSA-N 1 0 344.484 2.809 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096224525 473356030 /nfs/dbraw/zinc/35/60/30/473356030.db2.gz FUSXUWQQOPAMDV-HXUWFJFHSA-N 1 0 336.439 2.804 40 0 EFABRO CC(C)[N@H+](C)C[C@@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)CO1 ZINC000096224948 473357293 /nfs/dbraw/zinc/35/72/93/473357293.db2.gz FQZRRQFOEMBVDK-SFHVURJKSA-N 1 0 345.487 2.823 40 0 EFABRO O=C(Nc1cccnc1)C1=NO[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC000096226046 473357579 /nfs/dbraw/zinc/35/75/79/473357579.db2.gz DSPZUUUFGCXVBM-LJQANCHMSA-N 1 0 342.443 2.821 40 0 EFABRO c1csc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)n1 ZINC000096229235 473358814 /nfs/dbraw/zinc/35/88/14/473358814.db2.gz DFBFNUDYBGWTEC-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228753 473359347 /nfs/dbraw/zinc/35/93/47/473359347.db2.gz YUDPOOJHOYTQKR-SFHVURJKSA-N 1 0 336.501 2.640 40 0 EFABRO O=C(c1ccc(F)cc1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228817 473359382 /nfs/dbraw/zinc/35/93/82/473359382.db2.gz GKBHLEQJIIVECJ-HXUWFJFHSA-N 1 0 346.446 2.790 40 0 EFABRO O=C1CCC2(CC[NH+](C[C@@H]3CCOC3)CC2)N1Cc1cccc(F)c1 ZINC000096228268 473359928 /nfs/dbraw/zinc/35/99/28/473359928.db2.gz AOMQDVYSFLWHEM-KRWDZBQOSA-N 1 0 346.446 2.819 40 0 EFABRO Cc1cnc(N2CC[C@H](F)[C@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000096241253 473362170 /nfs/dbraw/zinc/36/21/70/473362170.db2.gz XUYSOBWSOWHXHL-WMZOPIPTSA-N 1 0 330.407 2.819 40 0 EFABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccco1)CC2 ZINC000096240377 473362352 /nfs/dbraw/zinc/36/23/52/473362352.db2.gz KQPFDUSIKDGERN-INIZCTEOSA-N 1 0 342.443 2.577 40 0 EFABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096241545 473362397 /nfs/dbraw/zinc/36/23/97/473362397.db2.gz YVBUMLQUGVWZTM-SFHVURJKSA-N 1 0 336.439 2.657 40 0 EFABRO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@H+](CCC(C)C)CC2 ZINC000096260421 473367313 /nfs/dbraw/zinc/36/73/13/473367313.db2.gz ZTPZOWMAWWXBDC-UHFFFAOYSA-N 1 0 332.492 2.708 40 0 EFABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096261192 473367390 /nfs/dbraw/zinc/36/73/90/473367390.db2.gz FRTGUQZQBOEASP-WMZOPIPTSA-N 1 0 328.456 2.503 40 0 EFABRO CC(C)C[N@@H+]1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260583 473367584 /nfs/dbraw/zinc/36/75/84/473367584.db2.gz AMRUAMABMRNZQC-UHFFFAOYSA-N 1 0 344.503 2.662 40 0 EFABRO c1coc(C[N@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249374 473363555 /nfs/dbraw/zinc/36/35/55/473363555.db2.gz PNQTYYMGKCOXSE-RBUKOAKNSA-N 1 0 327.428 2.540 40 0 EFABRO Cc1cccc(C(=O)N2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)c1 ZINC000096255893 473366081 /nfs/dbraw/zinc/36/60/81/473366081.db2.gz HPSSYWGOUPWUEZ-UHFFFAOYSA-N 1 0 338.455 2.523 40 0 EFABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096261191 473368228 /nfs/dbraw/zinc/36/82/28/473368228.db2.gz FRTGUQZQBOEASP-FUHWJXTLSA-N 1 0 328.456 2.503 40 0 EFABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccccn2)OC3)cc1 ZINC000096296383 473372277 /nfs/dbraw/zinc/37/22/77/473372277.db2.gz LOUKLFVIRQEPKU-KRWDZBQOSA-N 1 0 338.386 2.773 40 0 biogenic,in-vitro EFABRO CC(C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000096404192 473381353 /nfs/dbraw/zinc/38/13/53/473381353.db2.gz FTZCNZJGXIZJOQ-QGZVFWFLSA-N 1 0 346.475 2.517 40 0 EFABRO COc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000096404180 473381436 /nfs/dbraw/zinc/38/14/36/473381436.db2.gz QBYBMEIHVNAGEZ-UKRRQHHQSA-N 1 0 335.423 2.775 40 0 EFABRO CCOC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000096404170 473380228 /nfs/dbraw/zinc/38/02/28/473380228.db2.gz WITMHNFXCVBMCE-MRXNPFEDSA-N 1 0 346.431 2.957 40 0 EFABRO CC[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000096406885 473383656 /nfs/dbraw/zinc/38/36/56/473383656.db2.gz DRXLPQPVWKEGFK-CZUORRHYSA-N 1 0 337.439 2.596 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000096407621 473385483 /nfs/dbraw/zinc/38/54/83/473385483.db2.gz QHPXNKXRGHIMAE-WHJOBHEISA-N 1 0 336.439 2.517 40 0 EFABRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1 ZINC000096407740 473386159 /nfs/dbraw/zinc/38/61/59/473386159.db2.gz OZENNKVRXDGLSA-FUHWJXTLSA-N 1 0 327.403 2.611 40 0 EFABRO CC(=O)N(C)c1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000096410620 473389092 /nfs/dbraw/zinc/38/90/92/473389092.db2.gz UYVORVGCEMBVKZ-UHFFFAOYSA-N 1 0 332.448 2.665 40 0 EFABRO O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCCC1 ZINC000000230599 471339439 /nfs/dbraw/zinc/33/94/39/471339439.db2.gz RXJUEEPERKGZLZ-SNVBAGLBSA-N 1 0 336.176 2.563 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(F)cc1 ZINC000000316283 471346671 /nfs/dbraw/zinc/34/66/71/471346671.db2.gz YHFCSJRIQROEQM-HNNXBMFYSA-N 1 0 329.395 2.607 40 0 EFABRO C[NH+](C)CCCOC(=O)[C@@H](c1ccccc1)C1(O)CCSCC1 ZINC000001640724 471394902 /nfs/dbraw/zinc/39/49/02/471394902.db2.gz RYKFIZFIXZWKPO-MRXNPFEDSA-N 1 0 337.485 2.523 40 0 EFABRO CC(=O)Nc1ccccc1CC[NH2+]CCc1ccccc1NC(C)=O ZINC000003845602 471455603 /nfs/dbraw/zinc/45/56/03/471455603.db2.gz IMTZZEDLTCTGTM-UHFFFAOYSA-N 1 0 339.439 2.978 40 0 EFABRO COC(=O)[C@H]1C[C@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 ZINC000005393820 471503218 /nfs/dbraw/zinc/50/32/18/471503218.db2.gz IYLRRIUNGGQRTN-JUHPOPGZSA-N 1 0 338.451 2.930 40 0 biogenic,in-vitro EFABRO C[NH+](C)CCC(=O)c1cc2c(cc1Br)OCCCO2 ZINC000005535337 471510348 /nfs/dbraw/zinc/51/03/48/471510348.db2.gz AAUXSCJWHPEDAN-UHFFFAOYSA-N 1 0 328.206 2.745 40 0 EFABRO COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c5ccccc5[nH]c4c3C[C@H]12 ZINC000006066964 471530646 /nfs/dbraw/zinc/53/06/46/471530646.db2.gz WYTGDNHDOZPMIW-RCBQFDQVSA-O 1 0 349.410 2.873 40 0 in-vitro EFABRO Nc1cc(N)[nH+]c(SCC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000006533356 471550042 /nfs/dbraw/zinc/55/00/42/471550042.db2.gz WRVXFFPXKDPZCF-UHFFFAOYSA-N 1 0 329.212 2.923 40 0 EFABRO C[NH+]1CCN(c2nc3ccccc3c3nc(-c4ccccc4)nn32)CC1 ZINC000006805394 471570799 /nfs/dbraw/zinc/57/07/99/471570799.db2.gz WBMIDFKBOJEOLH-UHFFFAOYSA-N 1 0 344.422 2.696 40 0 EFABRO COC(=O)C1=CO[C@H](C)[C@H]2C[n+]3ccc4c5ccccc5[nH]c4c3C[C@H]12 ZINC000006931004 471579056 /nfs/dbraw/zinc/57/90/56/471579056.db2.gz WYTGDNHDOZPMIW-UHOFOFEASA-O 1 0 349.410 2.873 40 0 EFABRO CCOc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000006941811 471579082 /nfs/dbraw/zinc/57/90/82/471579082.db2.gz QFPJEWXUZYWJPJ-HNNXBMFYSA-N 1 0 342.505 2.874 40 0 EFABRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000007436765 471614519 /nfs/dbraw/zinc/61/45/19/471614519.db2.gz NAWGOABQFTUZPP-ZDUSSCGKSA-N 1 0 345.395 2.582 40 0 EFABRO CCOc1cc(CNCCC[NH2+]C)cc(Br)c1OC ZINC000008253592 471674854 /nfs/dbraw/zinc/67/48/54/471674854.db2.gz MXQNKDUQDAOZRU-UHFFFAOYSA-N 1 0 331.254 2.556 40 0 EFABRO Cc1nc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000007996339 471654728 /nfs/dbraw/zinc/65/47/28/471654728.db2.gz ZKOSQLVOKJCLEK-UHFFFAOYSA-N 1 0 330.457 2.764 40 0 EFABRO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCC ZINC000008253842 471675388 /nfs/dbraw/zinc/67/53/88/471675388.db2.gz QVTUJZMEQAQBMQ-JTQLQIEISA-N 1 0 332.238 2.717 40 0 EFABRO c1ccc(-c2cc(C[NH2+]CCC[C@@H]3CCOC3)c3nnnn3c2)cc1 ZINC000012224371 471769742 /nfs/dbraw/zinc/76/97/42/471769742.db2.gz YRFSNOCQZBQJDT-OAHLLOKOSA-N 1 0 337.427 2.698 40 0 EFABRO COc1ccc(C[NH2+][C@H](C)C(=O)N(C)c2ccccc2)cc1OC ZINC000013128344 471817240 /nfs/dbraw/zinc/81/72/40/471817240.db2.gz SEXDERKZDARHHJ-CQSZACIVSA-N 1 0 328.412 2.845 40 0 EFABRO c1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569028 471833978 /nfs/dbraw/zinc/83/39/78/471833978.db2.gz DDWLFKKECFIRTK-UHFFFAOYSA-N 1 0 325.456 2.806 40 0 EFABRO COc1cc(OC)cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000013673429 471837791 /nfs/dbraw/zinc/83/77/91/471837791.db2.gz NOHYCXLNEVFIOY-HUUCEWRRSA-N 1 0 334.460 2.802 40 0 EFABRO CC(C)[NH+]1CCC(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000013995998 471846890 /nfs/dbraw/zinc/84/68/90/471846890.db2.gz BPMWEIVVCWFISH-QGZVFWFLSA-N 1 0 336.863 2.880 40 0 EFABRO CC(C)n1cc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000019575997 471981893 /nfs/dbraw/zinc/98/18/93/471981893.db2.gz JXEUDKUXUWNLLD-CGTJXYLNSA-N 1 0 327.472 2.862 40 0 EFABRO CCCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696498 471983427 /nfs/dbraw/zinc/98/34/27/471983427.db2.gz FMPLVOJZLUOPFR-IBGZPJMESA-N 1 0 327.428 2.841 40 0 EFABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1c(C)nc2sccn12 ZINC000019712543 471984028 /nfs/dbraw/zinc/98/40/28/471984028.db2.gz NFJRJBBDZPNGSU-HUUCEWRRSA-N 1 0 332.473 2.680 40 0 EFABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnc(C(C)C)nc1 ZINC000019712484 471984835 /nfs/dbraw/zinc/98/48/35/471984835.db2.gz WZHJWYOXAAQLEK-MSOLQXFVSA-N 1 0 330.476 2.965 40 0 EFABRO O=C(CCN1CCCc2ccccc21)N1CCCCC[C@H]2[NH2+]CC[C@@H]21 ZINC000019712373 471985166 /nfs/dbraw/zinc/98/51/66/471985166.db2.gz KMOMFNXURPZPSA-QUCCMNQESA-N 1 0 341.499 2.962 40 0 EFABRO CC1(C)OC[C@H]([C@@H]2[C@H]3OC(C)(C)O[C@H]3C[N@@H+]2Cc2ccccc2)O1 ZINC000022012644 472009057 /nfs/dbraw/zinc/00/90/57/472009057.db2.gz FPPCQSGAIOZMJL-HZMVEIRTSA-N 1 0 333.428 2.542 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690206 472078939 /nfs/dbraw/zinc/07/89/39/472078939.db2.gz VFTHHKBDAZXHKY-UXLLHSPISA-N 1 0 325.424 2.560 40 0 EFABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000026842957 472150790 /nfs/dbraw/zinc/15/07/90/472150790.db2.gz UWBQFVPAQBDPMB-UHFFFAOYSA-N 1 0 348.443 2.900 40 0 EFABRO CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000075738288 472191974 /nfs/dbraw/zinc/19/19/74/472191974.db2.gz OLMGAPVXNDGHGC-MRXNPFEDSA-N 1 0 332.444 2.551 40 0 EFABRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000028295288 472220884 /nfs/dbraw/zinc/22/08/84/472220884.db2.gz UUJWJBPJLSKMCI-IAGOWNOFSA-N 1 0 349.471 2.825 40 0 EFABRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000085457823 472250773 /nfs/dbraw/zinc/25/07/73/472250773.db2.gz OORQTFXGOOOKQX-JFIYKMOQSA-N 1 0 346.471 2.558 40 0 EFABRO COc1cccc2cc(C(=O)N3CCCSC[C@H]3C[NH+](C)C)oc21 ZINC000085473115 472253668 /nfs/dbraw/zinc/25/36/68/472253668.db2.gz FYYXTSVLJWPDPC-CQSZACIVSA-N 1 0 348.468 2.951 40 0 EFABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000076317279 472320455 /nfs/dbraw/zinc/32/04/55/472320455.db2.gz IAVVPMVJSGHIQL-INIZCTEOSA-N 1 0 348.472 2.870 40 0 EFABRO COc1ccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000089453787 472442119 /nfs/dbraw/zinc/44/21/19/472442119.db2.gz HZJCXUXVCILVKM-INIZCTEOSA-N 1 0 340.423 2.749 40 0 EFABRO Cc1cccc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000097096534 472444526 /nfs/dbraw/zinc/44/45/26/472444526.db2.gz GTWMWGDNWGAMFG-SFHVURJKSA-N 1 0 338.455 2.699 40 0 EFABRO COc1cc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)ccc1F ZINC000097099496 472446287 /nfs/dbraw/zinc/44/62/87/472446287.db2.gz JEOOYZVUQVWYFU-INIZCTEOSA-N 1 0 349.427 2.885 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000097102553 472446838 /nfs/dbraw/zinc/44/68/38/472446838.db2.gz ZCLANQQUFFFQNM-GPANFISMSA-N 1 0 337.414 2.580 40 0 EFABRO Cc1cc(C)n(-c2ccc(-c3noc(C[N@H+]4CCC[C@H]4C)n3)cn2)n1 ZINC000097104551 472448193 /nfs/dbraw/zinc/44/81/93/472448193.db2.gz GSZJDJLGBRMMSF-CYBMUJFWSA-N 1 0 338.415 2.918 40 0 EFABRO c1cc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc2c1OCC2 ZINC000097103455 472448850 /nfs/dbraw/zinc/44/88/50/472448850.db2.gz SATJHKJSRFJXMF-MRXNPFEDSA-N 1 0 341.411 2.987 40 0 EFABRO CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC000032733730 472460639 /nfs/dbraw/zinc/46/06/39/472460639.db2.gz KBEDORKVUMNQLZ-QUCCMNQESA-N 1 0 338.451 2.972 40 0 EFABRO COc1ccc(CCNC(=[NH2+])NC[C@H](c2cccs2)N(C)C)cc1 ZINC000057752156 472470695 /nfs/dbraw/zinc/47/06/95/472470695.db2.gz UNOPHEOWEALQFW-MRXNPFEDSA-N 1 0 346.500 2.716 40 0 EFABRO COc1ccc2cc(CN(C)C[C@H]3CC[N@H+](C)C3)c(OC)nc2c1 ZINC000057811498 472477830 /nfs/dbraw/zinc/47/78/30/472477830.db2.gz HUKWIGPYICQGLU-AWEZNQCLSA-N 1 0 329.444 2.636 40 0 EFABRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000097230944 472483408 /nfs/dbraw/zinc/48/34/08/472483408.db2.gz MCMBWJBODYWTIW-MRXNPFEDSA-N 1 0 345.468 2.568 40 0 EFABRO CCCc1ccccc1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000097228926 472483926 /nfs/dbraw/zinc/48/39/26/472483926.db2.gz QPZWJJJRIXBJTO-UHFFFAOYSA-N 1 0 327.432 2.716 40 0 EFABRO Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)c2)cn1 ZINC000097230770 472484132 /nfs/dbraw/zinc/48/41/32/472484132.db2.gz QJTVFGUZJBRFLR-QZTJIDSGSA-N 1 0 347.484 2.533 40 0 EFABRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234344 472484942 /nfs/dbraw/zinc/48/49/42/472484942.db2.gz BQKIJFBCRAWMNP-WBVHZDCISA-N 1 0 331.464 2.663 40 0 EFABRO Cc1ccc(F)cc1C[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000097233860 472485080 /nfs/dbraw/zinc/48/50/80/472485080.db2.gz ACHYPUSVZXDALG-HOTGVXAUSA-N 1 0 348.462 2.982 40 0 EFABRO C[C@H](CCn1cccn1)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000097234102 472485208 /nfs/dbraw/zinc/48/52/08/472485208.db2.gz FWOBUNFKKJIXPO-GFCCVEGCSA-N 1 0 348.248 2.862 40 0 EFABRO CC1([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)OCCO1 ZINC000097373159 472493448 /nfs/dbraw/zinc/49/34/48/472493448.db2.gz KEEILDOLBXFEQV-KRWDZBQOSA-N 1 0 331.460 2.657 40 0 EFABRO O=C(COc1ccccc1F)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928503 472524563 /nfs/dbraw/zinc/52/45/63/472524563.db2.gz YFXRVJMERWBHGI-UHFFFAOYSA-N 1 0 343.402 2.632 40 0 EFABRO O=C(NCc1cccs1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928890 472524808 /nfs/dbraw/zinc/52/48/08/472524808.db2.gz MXYZYBWPHABIHR-UHFFFAOYSA-N 1 0 330.457 2.859 40 0 EFABRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000058439165 472570120 /nfs/dbraw/zinc/57/01/20/472570120.db2.gz VNGIVLTWZQTNCN-CYBMUJFWSA-N 1 0 346.443 2.898 40 0 EFABRO Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222660 472634246 /nfs/dbraw/zinc/63/42/46/472634246.db2.gz USBFKPJEQSDKMK-UHFFFAOYSA-N 1 0 348.491 2.945 40 0 EFABRO C[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216387 472634729 /nfs/dbraw/zinc/63/47/29/472634729.db2.gz IJRFQNKSNXWOPR-INIZCTEOSA-N 1 0 346.475 2.905 40 0 EFABRO COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592542 472641341 /nfs/dbraw/zinc/64/13/41/472641341.db2.gz WJOLRJIIOVTNDJ-ZIAGYGMSSA-N 1 0 342.361 2.825 40 0 EFABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000060368134 472647819 /nfs/dbraw/zinc/64/78/19/472647819.db2.gz GDYFPOYNPWIMSN-CQSZACIVSA-N 1 0 331.366 2.807 40 0 EFABRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000060368133 472648699 /nfs/dbraw/zinc/64/86/99/472648699.db2.gz GDYFPOYNPWIMSN-AWEZNQCLSA-N 1 0 331.366 2.807 40 0 EFABRO Cc1csc(N2CCC([NH2+]C[C@]3(O)CCc4ccccc43)CC2)n1 ZINC000090780026 472656192 /nfs/dbraw/zinc/65/61/92/472656192.db2.gz YPIYAWWOIIMIBY-LJQANCHMSA-N 1 0 343.496 2.844 40 0 EFABRO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C2CCCC2)C3)C1 ZINC000072390889 472663928 /nfs/dbraw/zinc/66/39/28/472663928.db2.gz PTSAUMVBWAZQIV-OAHLLOKOSA-N 1 0 328.460 2.503 40 0 EFABRO Cc1nc(CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120476863 472695696 /nfs/dbraw/zinc/69/56/96/472695696.db2.gz XNYDSMYMPFUSHB-GJZGRUSLSA-N 1 0 337.533 2.815 40 0 EFABRO Cc1nc(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000120476724 472696280 /nfs/dbraw/zinc/69/62/80/472696280.db2.gz XNYDSMYMPFUSHB-HUUCEWRRSA-N 1 0 337.533 2.815 40 0 EFABRO CN1C(=O)C2(CC[NH+](Cc3cccnc3)CC2)c2cccc(F)c21 ZINC000104998208 472710977 /nfs/dbraw/zinc/71/09/77/472710977.db2.gz PEZAYPWPSMSFML-UHFFFAOYSA-N 1 0 325.387 2.731 40 0 EFABRO COc1ccccc1[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280562 472751860 /nfs/dbraw/zinc/75/18/60/472751860.db2.gz YWMDSPOCXOKQDJ-KBXCAEBGSA-N 1 0 337.485 2.951 40 0 EFABRO COC(=O)c1cc(NC(=S)NC2CC[NH+](C)CC2)ccc1Cl ZINC000063147580 472757606 /nfs/dbraw/zinc/75/76/06/472757606.db2.gz KNYAQDRNTSFRIB-UHFFFAOYSA-N 1 0 341.864 2.507 40 0 EFABRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000047717341 472759796 /nfs/dbraw/zinc/75/97/96/472759796.db2.gz ICLAVARHRZCILB-GFCCVEGCSA-N 1 0 341.249 2.664 40 0 EFABRO CCOC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000048331812 472858686 /nfs/dbraw/zinc/85/86/86/472858686.db2.gz GJOOBJQOJQNYKF-AWEZNQCLSA-N 1 0 333.432 2.859 40 0 EFABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169845 472934427 /nfs/dbraw/zinc/93/44/27/472934427.db2.gz ILXHSKMPTRPIEZ-INIZCTEOSA-N 1 0 326.444 2.544 40 0 biogenic,in-vitro EFABRO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CCN1Cc1ccncc1 ZINC000107254384 472936387 /nfs/dbraw/zinc/93/63/87/472936387.db2.gz RYNLUJVHOCQDOL-RDJZCZTQSA-N 1 0 327.453 2.624 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000107730603 472978494 /nfs/dbraw/zinc/97/84/94/472978494.db2.gz MJCZYAHKRRAABW-RTBURBONSA-N 1 0 325.412 2.679 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)s1 ZINC000107738961 472979482 /nfs/dbraw/zinc/97/94/82/472979482.db2.gz CWWDOTJNCULINI-WMZOPIPTSA-N 1 0 347.484 2.561 40 0 EFABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)cc1 ZINC000107745967 472980814 /nfs/dbraw/zinc/98/08/14/472980814.db2.gz FTNBYZPKBLBBEZ-REPLKXPHSA-N 1 0 340.423 2.673 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCC2(CC(NC(=O)c3cccnc3)C2)C1 ZINC000108524414 473033917 /nfs/dbraw/zinc/03/39/17/473033917.db2.gz XRTOXQHRWFGBEG-UHFFFAOYSA-N 1 0 342.468 2.631 40 0 EFABRO Cc1nn(C)cc1C[N@@H+]1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108524454 473034545 /nfs/dbraw/zinc/03/45/45/473034545.db2.gz RFWPBDQTQXHMPG-UHFFFAOYSA-N 1 0 344.484 2.575 40 0 EFABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccccn1)CC2)c1ccncc1 ZINC000108528445 473035666 /nfs/dbraw/zinc/03/56/66/473035666.db2.gz DABBLIVLYWEDPO-UHFFFAOYSA-N 1 0 336.439 2.651 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC3(CC(NC(=O)c4cccnc4)C3)C2)n1 ZINC000108528037 473035688 /nfs/dbraw/zinc/03/56/88/473035688.db2.gz HCSLLCAVQQSXDE-UHFFFAOYSA-N 1 0 336.439 2.570 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108526621 473036319 /nfs/dbraw/zinc/03/63/19/473036319.db2.gz YKCLXSDABQWLJA-PXNSSMCTSA-N 1 0 343.471 2.936 40 0 EFABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000108533644 473037444 /nfs/dbraw/zinc/03/74/44/473037444.db2.gz BOKAYVYFLNDCQM-OAHLLOKOSA-N 1 0 337.489 2.533 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108534816 473037662 /nfs/dbraw/zinc/03/76/62/473037662.db2.gz DMIYSAKEXNHGTC-QAPCUYQASA-N 1 0 333.501 2.970 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108536442 473037850 /nfs/dbraw/zinc/03/78/50/473037850.db2.gz WWUUJCWGUKIEBL-YJBOKZPZSA-N 1 0 349.500 2.998 40 0 EFABRO Cc1cccnc1C[N@@H+]1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108534852 473037887 /nfs/dbraw/zinc/03/78/87/473037887.db2.gz WATWTNJSQPHBRH-UHFFFAOYSA-N 1 0 342.468 2.631 40 0 EFABRO CC[NH+]1CCN([C@@H]2CCN(Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133314 473049584 /nfs/dbraw/zinc/04/95/84/473049584.db2.gz ZMDRICKJSUALLN-OAHLLOKOSA-N 1 0 325.859 2.691 40 0 EFABRO CC1(C)Cc2cc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)ccc2O1 ZINC000109070794 473077287 /nfs/dbraw/zinc/07/72/87/473077287.db2.gz LTFAINHSRBCMIB-KRWDZBQOSA-N 1 0 338.455 2.949 40 0 EFABRO C[C@H]1C[N@H+](CC2(O)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000110691864 473171486 /nfs/dbraw/zinc/17/14/86/473171486.db2.gz LJTKZLYXNPAXOS-LSDHHAIUSA-N 1 0 326.481 2.917 40 0 EFABRO CC[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000110698438 473172958 /nfs/dbraw/zinc/17/29/58/473172958.db2.gz HOKCWPGYZLFBIT-QWHCGFSZSA-N 1 0 332.473 2.568 40 0 EFABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000136909264 473184517 /nfs/dbraw/zinc/18/45/17/473184517.db2.gz KZKDJFFFLUEKPQ-BEFAXECRSA-N 1 0 339.439 2.894 40 0 EFABRO Cc1ncsc1CC[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000096414847 473394609 /nfs/dbraw/zinc/39/46/09/473394609.db2.gz IREOIEXNZNPUKZ-UHFFFAOYSA-N 1 0 333.457 2.615 40 0 EFABRO NS(=O)(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096419566 473397802 /nfs/dbraw/zinc/39/78/02/473397802.db2.gz VJQVJEGYRPNTGK-ZDUSSCGKSA-N 1 0 336.379 2.521 40 0 EFABRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000096418702 473398120 /nfs/dbraw/zinc/39/81/20/473398120.db2.gz XPIOZIGQBVOOHE-AWEZNQCLSA-N 1 0 338.883 2.653 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2ccccc2n1 ZINC000096418691 473398690 /nfs/dbraw/zinc/39/86/90/473398690.db2.gz ZTVQWXRBBGMCLA-GOSISDBHSA-N 1 0 327.428 2.967 40 0 EFABRO COc1nc(C)cc(C)c1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000096421699 473400957 /nfs/dbraw/zinc/40/09/57/473400957.db2.gz KDCRWMNDJCMKHN-UHFFFAOYSA-N 1 0 327.428 2.699 40 0 EFABRO Cc1cccnc1[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C(C)C ZINC000096424415 473402810 /nfs/dbraw/zinc/40/28/10/473402810.db2.gz ABJNBSPONLIWRQ-QWHCGFSZSA-N 1 0 329.366 2.840 40 0 EFABRO O=C1OCCN1CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000096424362 473403066 /nfs/dbraw/zinc/40/30/66/473403066.db2.gz PQFWMAJJVFSUJT-UHFFFAOYSA-N 1 0 328.416 2.585 40 0 EFABRO Cc1cc(-n2cncn2)ccc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000096426502 473405248 /nfs/dbraw/zinc/40/52/48/473405248.db2.gz JJNDZQAVPCBXPN-UHFFFAOYSA-N 1 0 341.459 2.522 40 0 EFABRO CCn1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000096431358 473410826 /nfs/dbraw/zinc/41/08/26/473410826.db2.gz RBVQGGJSZOSGKD-KRWDZBQOSA-N 1 0 341.459 2.889 40 0 EFABRO C[C@H]1CCN(C(=O)c2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000096433123 473411473 /nfs/dbraw/zinc/41/14/73/473411473.db2.gz CIAZBVFXNJFUDE-HNNXBMFYSA-N 1 0 327.403 2.957 40 0 EFABRO Cc1cccnc1[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000096435350 473415339 /nfs/dbraw/zinc/41/53/39/473415339.db2.gz BEOZFCIRADKPKU-MRXNPFEDSA-N 1 0 344.463 2.667 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)n1 ZINC000096435363 473415631 /nfs/dbraw/zinc/41/56/31/473415631.db2.gz RZFBSKDKGGUUPJ-UHFFFAOYSA-N 1 0 347.850 2.909 40 0 EFABRO C[C@@H]1C[C@H](NCc2ccccc2C[N@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437125 473416459 /nfs/dbraw/zinc/41/64/59/473416459.db2.gz DBXJAZGNDQBWLM-KDOFPFPSSA-N 1 0 328.412 2.705 40 0 EFABRO CC(C)c1nc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cs1 ZINC000096436378 473416822 /nfs/dbraw/zinc/41/68/22/473416822.db2.gz PXKFOBAVIFBWEK-HNNXBMFYSA-N 1 0 339.505 2.676 40 0 EFABRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOC1 ZINC000096440557 473418758 /nfs/dbraw/zinc/41/87/58/473418758.db2.gz ZWFPFPABFVXBPP-RBUKOAKNSA-N 1 0 345.487 2.719 40 0 EFABRO Cc1nn(C)cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000096443924 473420911 /nfs/dbraw/zinc/42/09/11/473420911.db2.gz RXDAMEUXQNVSLB-CQSZACIVSA-N 1 0 342.443 2.701 40 0 EFABRO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000096445739 473423532 /nfs/dbraw/zinc/42/35/32/473423532.db2.gz ZATBOMPPHZHRCW-NSHDSACASA-N 1 0 335.757 2.626 40 0 EFABRO Cc1ccc(CNC(=O)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000096447082 473424672 /nfs/dbraw/zinc/42/46/72/473424672.db2.gz XLHAKUZXVKGUON-UHFFFAOYSA-N 1 0 337.467 2.961 40 0 EFABRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@H]3CCCCO3)CC2)cc1 ZINC000096447081 473425414 /nfs/dbraw/zinc/42/54/14/473425414.db2.gz PNXNIBVSZNQJBE-LJQANCHMSA-N 1 0 330.472 2.892 40 0 EFABRO CC(C)(C)/C=C/C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000096454417 473429510 /nfs/dbraw/zinc/42/95/10/473429510.db2.gz OTVNWAQTRNXYNA-DHZHZOJOSA-N 1 0 330.472 2.862 40 0 EFABRO NC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000096454188 473429629 /nfs/dbraw/zinc/42/96/29/473429629.db2.gz GAEQWJOOKOHHBE-GFCCVEGCSA-N 1 0 333.407 2.518 40 0 EFABRO C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000096455950 473431044 /nfs/dbraw/zinc/43/10/44/473431044.db2.gz UJPLRWNSYVAXLN-LBPRGKRZSA-N 1 0 342.892 2.828 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096478260 473439226 /nfs/dbraw/zinc/43/92/26/473439226.db2.gz PIMFJUUTLNVARC-FLNBYBTLSA-N 1 0 344.499 2.679 40 0 EFABRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000096476006 473439546 /nfs/dbraw/zinc/43/95/46/473439546.db2.gz SNPZSEBPSANLSW-WMLDXEAASA-N 1 0 346.475 2.501 40 0 EFABRO CC(C)C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476705 473439675 /nfs/dbraw/zinc/43/96/75/473439675.db2.gz IKFXIBVLIMSLOT-OALUTQOASA-N 1 0 349.544 2.966 40 0 EFABRO CC(C)C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476701 473440125 /nfs/dbraw/zinc/44/01/25/473440125.db2.gz IKFXIBVLIMSLOT-RBUKOAKNSA-N 1 0 349.544 2.966 40 0 EFABRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2Br)C1 ZINC000096483950 473441736 /nfs/dbraw/zinc/44/17/36/473441736.db2.gz IYPIYEINEILZCF-CYBMUJFWSA-N 1 0 325.250 2.858 40 0 EFABRO C[C@H](NC(=O)CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000096483372 473442150 /nfs/dbraw/zinc/44/21/50/473442150.db2.gz QLPDOFARRJGHJC-WQCNXYOZSA-N 1 0 330.472 2.999 40 0 EFABRO C[NH+](C)CCN1CCCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000096485501 473444803 /nfs/dbraw/zinc/44/48/03/473444803.db2.gz PLUCACLPAVSESO-UHFFFAOYSA-N 1 0 341.455 2.656 40 0 EFABRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000096490640 473446564 /nfs/dbraw/zinc/44/65/64/473446564.db2.gz JZVVMKUCLPCLNV-RDTXWAMCSA-N 1 0 338.455 2.814 40 0 EFABRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000096491561 473447241 /nfs/dbraw/zinc/44/72/41/473447241.db2.gz PBJLHORNCRPZAF-DLBZAZTESA-N 1 0 332.469 2.723 40 0 EFABRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000096490853 473447262 /nfs/dbraw/zinc/44/72/62/473447262.db2.gz XXBDOCVVWJQFKR-LBPRGKRZSA-N 1 0 332.425 2.752 40 0 EFABRO CN(Cc1nccn1C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000096491904 473447289 /nfs/dbraw/zinc/44/72/89/473447289.db2.gz IKHPLEYFMPXTSH-OAHLLOKOSA-N 1 0 349.866 2.518 40 0 EFABRO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491041 473447334 /nfs/dbraw/zinc/44/73/34/473447334.db2.gz DSCXZOHAXUQHCW-GFCCVEGCSA-N 1 0 343.452 2.600 40 0 EFABRO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1cccc(N2CCCC2=O)c1 ZINC000096491307 473447541 /nfs/dbraw/zinc/44/75/41/473447541.db2.gz IIVZQJWWPNKOMH-GFCCVEGCSA-N 1 0 344.440 2.559 40 0 EFABRO O=S1(=O)CCC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000096491612 473447687 /nfs/dbraw/zinc/44/76/87/473447687.db2.gz DRXMILQSJAJSOY-ZDUSSCGKSA-N 1 0 326.849 2.531 40 0 EFABRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n(C)n1 ZINC000096492410 473447752 /nfs/dbraw/zinc/44/77/52/473447752.db2.gz LNGRJKGKRXRYKV-OAHLLOKOSA-N 1 0 341.459 2.618 40 0 EFABRO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000096491650 473447988 /nfs/dbraw/zinc/44/79/88/473447988.db2.gz ICWUDZDJJLMLLS-CABCVRRESA-N 1 0 325.499 2.867 40 0 EFABRO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491039 473448340 /nfs/dbraw/zinc/44/83/40/473448340.db2.gz DSCXZOHAXUQHCW-LBPRGKRZSA-N 1 0 343.452 2.600 40 0 EFABRO COC(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ccccn3)C2)oc1C ZINC000096493798 473449034 /nfs/dbraw/zinc/44/90/34/473449034.db2.gz BTLWNPKBZOQWAV-CQSZACIVSA-N 1 0 329.400 2.528 40 0 EFABRO CC1(C)[C@H]([NH2+]C[C@H](O)c2cccc(OC(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000096493509 473449639 /nfs/dbraw/zinc/44/96/39/473449639.db2.gz YTUWMSDBGSJBAC-XQLPTFJDSA-N 1 0 327.371 2.725 40 0 EFABRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1 ZINC000096493366 473449745 /nfs/dbraw/zinc/44/97/45/473449745.db2.gz NAAHUFJVSOFOOR-GFCCVEGCSA-N 1 0 336.819 2.986 40 0 EFABRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000152163385 473531418 /nfs/dbraw/zinc/53/14/18/473531418.db2.gz JCUFYJDRJPPACG-ZWKOTPCHSA-N 1 0 349.519 2.535 40 0 EFABRO C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186496149 473681922 /nfs/dbraw/zinc/68/19/22/473681922.db2.gz SSOXHVQFKSTVGN-BEFAXECRSA-N 1 0 349.438 2.689 40 0 EFABRO CC[C@H](C)Oc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)ccn1 ZINC000274147752 473743903 /nfs/dbraw/zinc/74/39/03/473743903.db2.gz YQFCJDDNAKUCMV-AEGPPILISA-N 1 0 344.415 2.845 40 0 EFABRO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194076230 473837664 /nfs/dbraw/zinc/83/76/64/473837664.db2.gz YXJZMUXJPZATRY-XOSAIJSUSA-N 1 0 331.435 2.737 40 0 EFABRO COc1cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)ccc1C ZINC000194246097 473866199 /nfs/dbraw/zinc/86/61/99/473866199.db2.gz NMNMEHOJROZEPB-UHFFFAOYSA-N 1 0 339.439 2.793 40 0 EFABRO CCOc1ncccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246847665 473982916 /nfs/dbraw/zinc/98/29/16/473982916.db2.gz CLFIDMRHBRIWGB-APWZRJJASA-N 1 0 340.471 2.876 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180961482 473993452 /nfs/dbraw/zinc/99/34/52/473993452.db2.gz ZIOHWVFTUBGQDK-FOIQADDNSA-N 1 0 330.472 2.845 40 0 EFABRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000195530324 474090295 /nfs/dbraw/zinc/09/02/95/474090295.db2.gz MRZNTBPLLSWREB-QFBILLFUSA-N 1 0 347.503 2.619 40 0 EFABRO C[NH2+]CC(=O)N[C@H](C)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000195543675 474091058 /nfs/dbraw/zinc/09/10/58/474091058.db2.gz RVKUHKNJLHHJHB-MRVPVSSYSA-N 1 0 327.812 2.999 40 0 EFABRO C[C@@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000195543434 474091217 /nfs/dbraw/zinc/09/12/17/474091217.db2.gz WFXVYEMKVRTUTF-BEFAXECRSA-N 1 0 346.471 2.509 40 0 EFABRO COCC[NH2+]CC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000195543421 474091273 /nfs/dbraw/zinc/09/12/73/474091273.db2.gz BMILDQSQZMYYOS-UHFFFAOYSA-N 1 0 325.459 2.663 40 0 EFABRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000195539851 474091968 /nfs/dbraw/zinc/09/19/68/474091968.db2.gz DPGVMIAPVMTGTQ-OLMNPRSZSA-N 1 0 332.444 2.533 40 0 EFABRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000195539846 474092157 /nfs/dbraw/zinc/09/21/57/474092157.db2.gz DPGVMIAPVMTGTQ-JLSDUUJJSA-N 1 0 332.444 2.533 40 0 EFABRO CS[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549811 474093002 /nfs/dbraw/zinc/09/30/02/474093002.db2.gz HZMOYUDQSCWKEE-ZIAGYGMSSA-N 1 0 333.906 2.911 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1=COCC1 ZINC000195547783 474092929 /nfs/dbraw/zinc/09/29/29/474092929.db2.gz IXPXCEWWDKYHOB-QGZVFWFLSA-N 1 0 330.428 2.509 40 0 EFABRO C[C@H](Cc1ccc2ccccc2c1)NC(=O)COC[C@H]1CCC[NH2+]C1 ZINC000195549516 474093310 /nfs/dbraw/zinc/09/33/10/474093310.db2.gz XKWAXFBYTKSACH-AEFFLSMTSA-N 1 0 340.467 2.903 40 0 EFABRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000195554489 474093778 /nfs/dbraw/zinc/09/37/78/474093778.db2.gz QCRFSTKKDNANQQ-PMPSAXMXSA-N 1 0 348.491 2.884 40 0 EFABRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c(Br)c1 ZINC000195550582 474093832 /nfs/dbraw/zinc/09/38/32/474093832.db2.gz LLWMQKBRMARSLQ-GHMZBOCLSA-N 1 0 339.237 2.789 40 0 EFABRO C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCOC[C@@H]1C ZINC000195553569 474093904 /nfs/dbraw/zinc/09/39/04/474093904.db2.gz NJJJICSXICCCBT-UWVAXJGDSA-N 1 0 325.456 2.870 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000195551378 474094140 /nfs/dbraw/zinc/09/41/40/474094140.db2.gz ONXYHBVYGPYILE-ZACQAIPSSA-N 1 0 336.476 2.791 40 0 EFABRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c(Br)c1 ZINC000195550580 474094446 /nfs/dbraw/zinc/09/44/46/474094446.db2.gz LLWMQKBRMARSLQ-WDEREUQCSA-N 1 0 339.237 2.789 40 0 EFABRO C[C@@H](CO)[NH2+][C@@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558127 474095426 /nfs/dbraw/zinc/09/54/26/474095426.db2.gz CMCGEYPWKDJBIC-NHYWBVRUSA-N 1 0 328.250 2.887 40 0 EFABRO Cc1cc(Cl)c([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557742 474095603 /nfs/dbraw/zinc/09/56/03/474095603.db2.gz NGVMIYHETPZGRM-UONOGXRCSA-N 1 0 344.908 2.889 40 0 EFABRO C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558088 474096244 /nfs/dbraw/zinc/09/62/44/474096244.db2.gz CYYRSSQVWKKGHA-NHYWBVRUSA-N 1 0 328.250 2.887 40 0 EFABRO Cc1ccc(NC2CC[NH+](C(C)C)CC2)c(OCC(=O)N(C)C)c1 ZINC000195557880 474096336 /nfs/dbraw/zinc/09/63/36/474096336.db2.gz RVQZVJLJKKOOMH-UHFFFAOYSA-N 1 0 333.476 2.747 40 0 EFABRO C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000195570404 474098356 /nfs/dbraw/zinc/09/83/56/474098356.db2.gz MDMGCWPPFVJFQE-ZFWWWQNUSA-N 1 0 339.430 2.879 40 0 EFABRO CC1CC[NH+](CCCNC(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000222756261 474174952 /nfs/dbraw/zinc/17/49/52/474174952.db2.gz FAPAEIGULIDDJF-UHFFFAOYSA-N 1 0 344.499 2.973 40 0 EFABRO Fc1cccnc1O[C@H]1Cn2cccc2C[N@H+](CC2CCOCC2)C1 ZINC000247550869 474179894 /nfs/dbraw/zinc/17/98/94/474179894.db2.gz VZAGPVSLJJHIEW-QGZVFWFLSA-N 1 0 345.418 2.712 40 0 EFABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223210251 474180078 /nfs/dbraw/zinc/18/00/78/474180078.db2.gz SFDRTAMIPOYVBA-IAGOWNOFSA-N 1 0 344.484 2.907 40 0 EFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 ZINC000223252678 474182462 /nfs/dbraw/zinc/18/24/62/474182462.db2.gz QJDOVPACXUQICN-CABCVRRESA-N 1 0 332.498 2.677 40 0 EFABRO [NH3+][C@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1 ZINC000225463010 474214395 /nfs/dbraw/zinc/21/43/95/474214395.db2.gz ILKUUKFESJZTHX-SFHVURJKSA-N 1 0 328.387 2.896 40 0 EFABRO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1 ZINC000225462972 474214795 /nfs/dbraw/zinc/21/47/95/474214795.db2.gz ILKUUKFESJZTHX-GOSISDBHSA-N 1 0 328.387 2.896 40 0 EFABRO CC[NH+](CC)C[C@H]1CCC2(CN(C(=O)c3cc(C)oc3C)C2)OC1 ZINC000247816110 474214853 /nfs/dbraw/zinc/21/48/53/474214853.db2.gz CVEMHLIPNNTKBV-MRXNPFEDSA-N 1 0 334.460 2.859 40 0 EFABRO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000225472333 474215358 /nfs/dbraw/zinc/21/53/58/474215358.db2.gz SDYGMVOZGWWMKQ-WDEREUQCSA-N 1 0 343.290 2.655 40 0 EFABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000225492740 474217719 /nfs/dbraw/zinc/21/77/19/474217719.db2.gz PCNKWTNYRSCVSE-AEFFLSMTSA-N 1 0 337.508 2.852 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)cc1 ZINC000225493214 474218397 /nfs/dbraw/zinc/21/83/97/474218397.db2.gz SXRUGWBHJJKBOP-SFHVURJKSA-N 1 0 341.455 2.602 40 0 biogenic,in-vitro EFABRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000225489202 474218597 /nfs/dbraw/zinc/21/85/97/474218597.db2.gz QKNPOPWZXLKKGV-VQIMIIECSA-N 1 0 342.414 2.604 40 0 EFABRO CC[C@@]1(C)CN(C(=O)NCc2ccc(C)nc2N2CCCC2)CCO1 ZINC000225504360 474219668 /nfs/dbraw/zinc/21/96/68/474219668.db2.gz YESWXSRKZZANAT-IBGZPJMESA-N 1 0 346.475 2.701 40 0 EFABRO O=C([C@@H]1CCc2nc[nH]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510366 474220046 /nfs/dbraw/zinc/22/00/46/474220046.db2.gz LTHIDGVGALNVOZ-CYBMUJFWSA-N 1 0 344.846 2.517 40 0 EFABRO C[C@H](Oc1ccccc1)C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225568882 474225583 /nfs/dbraw/zinc/22/55/83/474225583.db2.gz KMGNRVPMBSRLBA-RDJZCZTQSA-N 1 0 348.512 2.788 40 0 EFABRO O=C(NCCc1ccccc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225576668 474226747 /nfs/dbraw/zinc/22/67/47/474226747.db2.gz FGJCRLNOSBUVEZ-GOSISDBHSA-N 1 0 347.528 2.746 40 0 EFABRO c1coc(C[N@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)c1 ZINC000247926117 474227089 /nfs/dbraw/zinc/22/70/89/474227089.db2.gz PNQTYYMGKCOXSE-RTBURBONSA-N 1 0 327.428 2.540 40 0 EFABRO C[NH+](C)CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225589707 474227658 /nfs/dbraw/zinc/22/76/58/474227658.db2.gz DUQIMAWFHGOKDD-UHFFFAOYSA-N 1 0 325.623 2.936 40 0 EFABRO CCOC(=O)c1sc(N2CCC[C@H]2Cn2ccnc2C)nc1C ZINC000225596268 474227981 /nfs/dbraw/zinc/22/79/81/474227981.db2.gz MABMHSHUZZHFCY-ZDUSSCGKSA-N 1 0 334.445 2.802 40 0 EFABRO CC[NH+]1CCN(c2ccccc2CNc2cccc(CO)c2)CC1 ZINC000225601541 474228808 /nfs/dbraw/zinc/22/88/08/474228808.db2.gz WCWGORHWBNHYNG-UHFFFAOYSA-N 1 0 325.456 2.933 40 0 EFABRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ncncc1Cl ZINC000175472483 474229909 /nfs/dbraw/zinc/22/99/09/474229909.db2.gz NIRIRIUNGRQYPM-UHFFFAOYSA-N 1 0 344.846 2.567 40 0 EFABRO Nc1cc(C[NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)ccn1 ZINC000225617630 474230370 /nfs/dbraw/zinc/23/03/70/474230370.db2.gz PDHAKUWJVAAUNV-UHFFFAOYSA-N 1 0 337.349 2.852 40 0 EFABRO CC(C)Cn1ncnc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000182719433 474240805 /nfs/dbraw/zinc/24/08/05/474240805.db2.gz NFGLFJXCWKJARF-SFHVURJKSA-N 1 0 333.524 2.878 40 0 EFABRO Cc1nc(CN2CCO[C@H]3CC[N@H+](Cc4ccoc4)CC[C@H]32)cs1 ZINC000247997418 474242862 /nfs/dbraw/zinc/24/28/62/474242862.db2.gz AQIJKKNHIMJDJT-MSOLQXFVSA-N 1 0 347.484 2.910 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]21 ZINC000248025239 474246606 /nfs/dbraw/zinc/24/66/06/474246606.db2.gz JILHQMTWRIDWPC-ZAAXVRCTSA-N 1 0 341.455 2.548 40 0 EFABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1F ZINC000228936626 474250094 /nfs/dbraw/zinc/25/00/94/474250094.db2.gz CRBVZQVFTBFLMT-UHFFFAOYSA-N 1 0 326.379 2.942 40 0 EFABRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC000248047969 474251473 /nfs/dbraw/zinc/25/14/73/474251473.db2.gz MTCGWDNPIHAOMY-WMZOPIPTSA-N 1 0 344.484 2.798 40 0 EFABRO COc1ccc(C[N@H+](C[C@H]2CCOC2)C[C@H]2CCCO2)c(OC)c1 ZINC000248138221 474265718 /nfs/dbraw/zinc/26/57/18/474265718.db2.gz ODTFRTHVZFTDRK-CRAIPNDOSA-N 1 0 335.444 2.721 40 0 EFABRO C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21 ZINC000248138271 474266585 /nfs/dbraw/zinc/26/65/85/474266585.db2.gz SIUKPUFXHINZGM-HNNXBMFYSA-N 1 0 340.452 2.857 40 0 EFABRO CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000248149992 474269909 /nfs/dbraw/zinc/26/99/09/474269909.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 1 0 341.455 2.701 40 0 EFABRO Cc1ccoc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CCN2C ZINC000248161244 474274000 /nfs/dbraw/zinc/27/40/00/474274000.db2.gz XRQCFEOEBCRIIW-MRXNPFEDSA-N 1 0 332.444 2.551 40 0 EFABRO C[NH+](C)CCS[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189064272 474279864 /nfs/dbraw/zinc/27/98/64/474279864.db2.gz PRFDVHZGBAAIJC-HNNXBMFYSA-N 1 0 328.428 2.751 40 0 EFABRO CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578982 474365281 /nfs/dbraw/zinc/36/52/81/474365281.db2.gz FCAAIRZFWYLOPY-BPUTZDHNSA-N 1 0 334.464 2.638 40 0 EFABRO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189372740 474376090 /nfs/dbraw/zinc/37/60/90/474376090.db2.gz QNSVDGLSSZIJKJ-CQSZACIVSA-N 1 0 348.340 2.790 40 0 EFABRO Cc1cncc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000189937486 474512128 /nfs/dbraw/zinc/51/21/28/474512128.db2.gz UIYNOXJSDBTCEZ-UHFFFAOYSA-N 1 0 330.476 2.986 40 0 EFABRO CCc1nnc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000249115702 474529794 /nfs/dbraw/zinc/52/97/94/474529794.db2.gz YOSOSPQLBLGYPD-JSGCOSHPSA-N 1 0 331.445 2.667 40 0 EFABRO O=C(NCc1ccccc1)NC[C@H](c1ccco1)N1CCSCC1 ZINC000240002245 474547360 /nfs/dbraw/zinc/54/73/60/474547360.db2.gz PPZQJYOFUDWBAH-MRXNPFEDSA-N 1 0 345.468 2.869 40 0 EFABRO O[C@]1(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CCSC1 ZINC000240626718 474550622 /nfs/dbraw/zinc/55/06/22/474550622.db2.gz HIXDRSRQPPRPST-LBPRGKRZSA-N 1 0 325.327 2.682 40 0 EFABRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894828 474552167 /nfs/dbraw/zinc/55/21/67/474552167.db2.gz IQFDQTQVCUKZAR-SUMWQHHRSA-N 1 0 336.842 2.995 40 0 EFABRO O=C([C@@H](F)CC1CCCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000241368022 474554780 /nfs/dbraw/zinc/55/47/80/474554780.db2.gz MJJRKGQIRHVGLH-ROUUACIJSA-N 1 0 340.483 2.866 40 0 EFABRO CC(C)[N@H+](CCO)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242554607 474559653 /nfs/dbraw/zinc/55/96/53/474559653.db2.gz MOIGCKVAHGYLNA-MSOLQXFVSA-N 1 0 334.460 2.927 40 0 EFABRO CC(C)N(CC[NH3+])[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242575122 474561475 /nfs/dbraw/zinc/56/14/75/474561475.db2.gz NSNJJHAYNYRHKN-QZTJIDSGSA-N 1 0 333.476 2.893 40 0 EFABRO c1ccc(N2CCN(C3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC000244914743 474569458 /nfs/dbraw/zinc/56/94/58/474569458.db2.gz BBJCPBRCEJJABO-UHFFFAOYSA-N 1 0 343.515 2.700 40 0 EFABRO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000245265756 474572458 /nfs/dbraw/zinc/57/24/58/474572458.db2.gz HRPBXLQVYZVWKH-WMZOPIPTSA-N 1 0 344.455 2.602 40 0 EFABRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000245358610 474574122 /nfs/dbraw/zinc/57/41/22/474574122.db2.gz ZTLMMPOBYKKATA-MSOLQXFVSA-N 1 0 343.471 2.941 40 0 EFABRO C[C@H](NC(=O)CC[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000245339105 474574318 /nfs/dbraw/zinc/57/43/18/474574318.db2.gz QLPDOFARRJGHJC-WLWJZTKJSA-N 1 0 330.472 2.999 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F ZINC000249507338 474581850 /nfs/dbraw/zinc/58/18/50/474581850.db2.gz YTHGPEYGYJCQAC-ZBFHGGJFSA-N 1 0 330.394 2.896 40 0 EFABRO C[N@H+](CCCCCF)CC(=O)Nc1ccc(Br)cn1 ZINC000252478076 474664346 /nfs/dbraw/zinc/66/43/46/474664346.db2.gz ACECLFBCJWHAIV-UHFFFAOYSA-N 1 0 332.217 2.854 40 0 EFABRO CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252484697 474669836 /nfs/dbraw/zinc/66/98/36/474669836.db2.gz GEYZLWLMUAZWTP-MSOLQXFVSA-N 1 0 345.487 2.908 40 0 EFABRO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000252487556 474673089 /nfs/dbraw/zinc/67/30/89/474673089.db2.gz YXJZMUXJPZATRY-ABFRBSLYSA-N 1 0 331.435 2.737 40 0 EFABRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000252486547 474673116 /nfs/dbraw/zinc/67/31/16/474673116.db2.gz LGMYJLYHTIZIQE-IACUBPJLSA-N 1 0 329.366 2.876 40 0 EFABRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000252486432 474673341 /nfs/dbraw/zinc/67/33/41/474673341.db2.gz JZVVMKUCLPCLNV-KSSFIOAISA-N 1 0 338.455 2.814 40 0 EFABRO CCCCc1nc2cc(NC(=O)[C@H](OC)c3cnn(C)c3)ccc2[nH]1 ZINC000252491735 474677395 /nfs/dbraw/zinc/67/73/95/474677395.db2.gz LRQVUKKWFSURCN-QGZVFWFLSA-N 1 0 341.415 2.965 40 0 EFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514450 474691464 /nfs/dbraw/zinc/69/14/64/474691464.db2.gz CMCXQBLTVDMMBV-IPMKNSEASA-N 1 0 345.464 2.526 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000253369965 474727720 /nfs/dbraw/zinc/72/77/20/474727720.db2.gz KOCWEBUPPALMJV-YXUGBTPSSA-N 1 0 344.455 2.960 40 0 EFABRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)[C@H]1COc2ccccc21 ZINC000253369366 474727822 /nfs/dbraw/zinc/72/78/22/474727822.db2.gz BQTFEDAGKZWASD-PMUMKWKESA-N 1 0 335.411 2.878 40 0 EFABRO C[C@H]1C[C@H]([NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)C[C@@H](C)C1 ZINC000253369682 474728418 /nfs/dbraw/zinc/72/84/18/474728418.db2.gz GQSVWRGSUNKJQX-UKTARXLSSA-N 1 0 333.398 2.974 40 0 EFABRO CCN1CC[C@H]([NH2+]CC(OC)OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253393098 474733304 /nfs/dbraw/zinc/73/33/04/474733304.db2.gz RJRIQPRBSIDRCB-GOEBONIOSA-N 1 0 330.831 2.823 40 0 EFABRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000253406047 474738878 /nfs/dbraw/zinc/73/88/78/474738878.db2.gz VGMZUZCYRHDPQX-INIZCTEOSA-N 1 0 341.459 2.724 40 0 EFABRO Brc1cnn(C2CC[NH+](CC3=CCCOC3)CC2)c1 ZINC000253417364 474743316 /nfs/dbraw/zinc/74/33/16/474743316.db2.gz MGNDKYPSZYBIPN-UHFFFAOYSA-N 1 0 326.238 2.629 40 0 EFABRO COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 ZINC000253433414 474757369 /nfs/dbraw/zinc/75/73/69/474757369.db2.gz WPIPQWWGVTWTLF-IAGOWNOFSA-N 1 0 342.443 2.638 40 0 EFABRO COc1ccc(F)cc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000253432342 474757839 /nfs/dbraw/zinc/75/78/39/474757839.db2.gz JTGICUOFPGQUHP-HNNXBMFYSA-N 1 0 349.450 2.708 40 0 EFABRO CCc1cnc(CCNC(=O)N2CCC(c3c[nH]cn3)CC2)s1 ZINC000253433320 474758373 /nfs/dbraw/zinc/75/83/73/474758373.db2.gz VPMPTFDWWCUXES-UHFFFAOYSA-N 1 0 333.461 2.560 40 0 EFABRO Cn1nccc1[C@H]1[C@H](CNc2ncnc3ccsc32)CCC[N@@H+]1C ZINC000284836534 474790127 /nfs/dbraw/zinc/79/01/27/474790127.db2.gz KUNLMDYSHLMJOA-SWLSCSKDSA-N 1 0 342.472 2.920 40 0 EFABRO CCOC[C@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3occc3C)C2)C1 ZINC000306128593 474807353 /nfs/dbraw/zinc/80/73/53/474807353.db2.gz HFSILBHQIPNYLY-KRWDZBQOSA-N 1 0 346.471 2.941 40 0 EFABRO c1cncc(COCc2cncc3c2CC[N@@H+](C2CCOCC2)C3)c1 ZINC000306131643 474809821 /nfs/dbraw/zinc/80/98/21/474809821.db2.gz KKYQGRCYMQWYGW-UHFFFAOYSA-N 1 0 339.439 2.731 40 0 EFABRO O=C(C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)NCc1ccco1 ZINC000306137061 474809976 /nfs/dbraw/zinc/80/99/76/474809976.db2.gz QKMVPMSZCWCNFS-HNNXBMFYSA-N 1 0 340.423 2.974 40 0 EFABRO O=C(c1cnc2n1C[C@H]([NH2+]CC1CCCC1)CC2)N1CCCCC1 ZINC000306133995 474810256 /nfs/dbraw/zinc/81/02/56/474810256.db2.gz NBINXNJCPWXQSU-MRXNPFEDSA-N 1 0 330.476 2.604 40 0 EFABRO Fc1cc(F)cc(C[NH+]2CCC(n3cnc4nccnc43)CC2)c1 ZINC000306143947 474811148 /nfs/dbraw/zinc/81/11/48/474811148.db2.gz YRLHIIVCNRXNAJ-UHFFFAOYSA-N 1 0 329.354 2.942 40 0 EFABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000306137636 474811164 /nfs/dbraw/zinc/81/11/64/474811164.db2.gz RBZXFKBPRNAVRJ-IEBWSBKVSA-N 1 0 340.448 2.856 40 0 EFABRO c1cc2n(n1)C[C@H](CCNc1ncccn1)C[N@@H+](CC1CCCC1)C2 ZINC000306142908 474811885 /nfs/dbraw/zinc/81/18/85/474811885.db2.gz XNYILMWYHCJOCL-QGZVFWFLSA-N 1 0 340.475 2.797 40 0 EFABRO CCCNC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306140861 474811969 /nfs/dbraw/zinc/81/19/69/474811969.db2.gz VFSXBUUNTGQTRF-UHFFFAOYSA-N 1 0 339.443 2.504 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137198 474812478 /nfs/dbraw/zinc/81/24/78/474812478.db2.gz QOLSYEQQKSEEJX-WMZOPIPTSA-N 1 0 349.425 2.860 40 0 EFABRO CC(C)C[N@@H+]1CC[C@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257210589 474925457 /nfs/dbraw/zinc/92/54/57/474925457.db2.gz BVGYULSEHHKQNZ-LBPRGKRZSA-N 1 0 332.473 2.838 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc12 ZINC000257278891 474927478 /nfs/dbraw/zinc/92/74/78/474927478.db2.gz OECHLVHYBHOOPY-PMACEKPBSA-N 1 0 327.424 2.964 40 0 EFABRO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@H+](Cc4cncs4)C3)n2)n1 ZINC000257281245 474930379 /nfs/dbraw/zinc/93/03/79/474930379.db2.gz OOHKNLROSMRDBT-ZDUSSCGKSA-N 1 0 340.456 2.778 40 0 EFABRO CC(C)[C@H]1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2O[C@@H]1c1ccc(F)cc1 ZINC000257286583 474931554 /nfs/dbraw/zinc/93/15/54/474931554.db2.gz PMDCGRYZVRRBRA-VYCZESIESA-N 1 0 334.435 2.735 40 0 EFABRO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@H+](CCO)C3)n2)sc1C ZINC000257283766 474931681 /nfs/dbraw/zinc/93/16/81/474931681.db2.gz OZUCNBZPIWJXRB-CQSZACIVSA-N 1 0 347.488 2.774 40 0 EFABRO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](Cc4nccn4C)C[C@@H]32)ncn1 ZINC000257288722 474934050 /nfs/dbraw/zinc/93/40/50/474934050.db2.gz PVHXAXXFWHZKKF-JFIYKMOQSA-N 1 0 325.460 2.609 40 0 EFABRO CCc1n[nH]cc1C(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)C[N@@H+]2C ZINC000257290068 474934860 /nfs/dbraw/zinc/93/48/60/474934860.db2.gz QBLJZGWGUQBMIM-ZHALLVOQSA-N 1 0 338.455 2.532 40 0 EFABRO Cc1nc(-c2cncnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000257298094 474937610 /nfs/dbraw/zinc/93/76/10/474937610.db2.gz RKCPNFQYERUDRM-AWEZNQCLSA-N 1 0 336.399 2.610 40 0 EFABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000257295733 474937993 /nfs/dbraw/zinc/93/79/93/474937993.db2.gz QZQBMPBENKBVGS-HXUWFJFHSA-N 1 0 337.423 2.969 40 0 EFABRO Cn1cnc(C[N@@H+]2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)c1 ZINC000257297072 474938065 /nfs/dbraw/zinc/93/80/65/474938065.db2.gz RFRDGJDRZNSWHD-LSTHTHJFSA-N 1 0 341.455 2.869 40 0 EFABRO Cc1cccc(C[N@@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257296248 474938978 /nfs/dbraw/zinc/93/89/78/474938978.db2.gz RBXCFFJZLGWZOU-KRWDZBQOSA-N 1 0 336.439 2.957 40 0 EFABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 ZINC000257296050 474939305 /nfs/dbraw/zinc/93/93/05/474939305.db2.gz RAZREURXXDMFBR-SFHVURJKSA-N 1 0 345.487 2.892 40 0 EFABRO [NH3+]Cc1cn(-c2ccccc2C(=O)N2CCc3ccccc3C2)cn1 ZINC000257299037 474941142 /nfs/dbraw/zinc/94/11/42/474941142.db2.gz ROKRARXXAGBPCZ-UHFFFAOYSA-N 1 0 332.407 2.530 40 0 EFABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](Cc2cc(C(N)=O)nc(C)n2)C1 ZINC000257300582 474941621 /nfs/dbraw/zinc/94/16/21/474941621.db2.gz RUWNWALRKTVCOQ-AWEZNQCLSA-N 1 0 344.484 2.709 40 0 EFABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC2CCOCC2)c1 ZINC000257303522 474942236 /nfs/dbraw/zinc/94/22/36/474942236.db2.gz SHOTWKRQHQIEIM-UHFFFAOYSA-N 1 0 339.439 2.719 40 0 EFABRO Cn1cc(C[N@@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)cn1 ZINC000257307843 474944824 /nfs/dbraw/zinc/94/48/24/474944824.db2.gz TUJGQOGTIXCVSK-HNNXBMFYSA-N 1 0 325.412 2.857 40 0 EFABRO Cn1nccc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257308841 474944853 /nfs/dbraw/zinc/94/48/53/474944853.db2.gz TYIKLUJPTSBFSU-PMACEKPBSA-N 1 0 341.455 2.760 40 0 EFABRO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)ccn1 ZINC000257320791 474951034 /nfs/dbraw/zinc/95/10/34/474951034.db2.gz VYRKENPMRBUBFL-AWEZNQCLSA-N 1 0 325.368 2.829 40 0 EFABRO Cn1cncc1C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257319361 474951485 /nfs/dbraw/zinc/95/14/85/474951485.db2.gz VSBIRKQOZWNRGD-MRXNPFEDSA-N 1 0 325.412 2.857 40 0 EFABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257326799 474955400 /nfs/dbraw/zinc/95/54/00/474955400.db2.gz WYPVDPOTVJYVCE-INIZCTEOSA-N 1 0 334.427 2.950 40 0 EFABRO O=C(c1cc2ccccc2s1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257328994 474957102 /nfs/dbraw/zinc/95/71/02/474957102.db2.gz XHYIRAJNRBZJIZ-GOSISDBHSA-N 1 0 330.453 2.574 40 0 EFABRO Cc1c[nH]c(-c2cnc(C[C@@H]3CC[N@H+](Cc4cncs4)C3)cn2)n1 ZINC000257330197 474957397 /nfs/dbraw/zinc/95/73/97/474957397.db2.gz XNHGPYRVVPKERR-ZDUSSCGKSA-N 1 0 340.456 2.696 40 0 EFABRO Cc1nc([C@@H]2CC[NH2+]C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257329270 474957669 /nfs/dbraw/zinc/95/76/69/474957669.db2.gz XJDLUOXTVQUJDK-OAHLLOKOSA-N 1 0 328.460 2.721 40 0 EFABRO Cc1nccc(C[N@@H+](C)[C@@H]2CCC[C@H](Oc3ccccc3)[C@H]2O)n1 ZINC000257331938 474959953 /nfs/dbraw/zinc/95/99/53/474959953.db2.gz XUZBDEFVTDBOTR-QYZOEREBSA-N 1 0 327.428 2.578 40 0 EFABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](Cc3[nH]cnc3C)CC[C@H]21 ZINC000257331444 474960130 /nfs/dbraw/zinc/96/01/30/474960130.db2.gz XSWIZBFRDSSUAH-QWFCFKBJSA-N 1 0 338.455 2.555 40 0 EFABRO COc1ccc2[nH]c(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)cc2c1 ZINC000257340528 474963329 /nfs/dbraw/zinc/96/33/29/474963329.db2.gz ZGOOITVVOLGOCF-MJGOQNOKSA-N 1 0 327.428 2.923 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)c(F)c2)cc1 ZINC000257342204 474964105 /nfs/dbraw/zinc/96/41/05/474964105.db2.gz ZNNVEPXFIWHYIH-SFHVURJKSA-N 1 0 346.377 2.689 40 0 EFABRO Cc1cnc(N(C)[C@@H]2CC[C@@H]3C[N@H+](Cc4cncs4)C[C@H]23)cn1 ZINC000257338161 474964356 /nfs/dbraw/zinc/96/43/56/474964356.db2.gz YWFFEALDBJVVJM-VNQPRFMTSA-N 1 0 329.473 2.588 40 0 EFABRO COc1ccccc1[C@H]1CNCCN1C(=O)Cc1cccc(F)c1 ZINC000261675802 475019254 /nfs/dbraw/zinc/01/92/54/475019254.db2.gz BOVBSHOPYZBAQZ-QGZVFWFLSA-N 1 0 328.387 2.550 40 0 EFABRO Cc1nc(N2CCOCC2)ccc1NC(=O)N1CCC(C)=C(C)C1 ZINC000281330045 475173847 /nfs/dbraw/zinc/17/38/47/475173847.db2.gz JPPHANZRUSFUNC-UHFFFAOYSA-N 1 0 330.432 2.801 40 0 EFABRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(n2cccn2)CC1 ZINC000363347633 476660934 /nfs/dbraw/zinc/66/09/34/476660934.db2.gz KHWZCAUIKNQMQD-INIZCTEOSA-N 1 0 330.476 2.701 40 0 EFABRO Cc1ccc([C@]23CCC[C@@H]4CN(Cc5cnc(N)nc5)[C@@H](O2)[C@@H]43)cc1 ZINC000409412927 476984344 /nfs/dbraw/zinc/98/43/44/476984344.db2.gz AMHBKTQICGWSHC-LBKNJMOBSA-N 1 0 336.439 2.851 40 0 EFABRO Cc1ccc([C@]23CCC[C@@H]4CN(Cc5cnc(N)nc5)[C@@H](O2)[C@H]43)cc1 ZINC000409412926 476984395 /nfs/dbraw/zinc/98/43/95/476984395.db2.gz AMHBKTQICGWSHC-HYJFEMIMSA-N 1 0 336.439 2.851 40 0 EFABRO O=C(CCn1cnc2ccccc21)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424001601 477254337 /nfs/dbraw/zinc/25/43/37/477254337.db2.gz PJRCCGXISVBEKV-IBGZPJMESA-N 1 0 334.423 2.600 40 0 EFABRO CC(C)(C)n1cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cn1 ZINC000449418435 477563792 /nfs/dbraw/zinc/56/37/92/477563792.db2.gz CWKJJEWQNUCWET-IEBWSBKVSA-N 1 0 331.435 2.938 40 0 EFABRO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000514288651 479020236 /nfs/dbraw/zinc/02/02/36/479020236.db2.gz MJCMXBIETUQVNZ-HIFRSBDPSA-N 1 0 340.345 2.775 40 0 biogenic,in-vitro EFABRO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000514289795 479022616 /nfs/dbraw/zinc/02/26/16/479022616.db2.gz ORRKSYVBCUHDNN-QUCCMNQESA-N 1 0 349.434 2.676 40 0 biogenic,in-vitro EFABRO O=C1CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@@H]([C@@H]2CCCO2)N1 ZINC000529574788 479210991 /nfs/dbraw/zinc/21/09/91/479210991.db2.gz WUWNKTKBCDBFJW-GVXVVHGQSA-N 1 0 348.390 2.683 40 0 EFABRO Cn1cnc2c1C[C@@H](COCc1ccncc1)[N@@H+](C1CCCC1)C2 ZINC000585094691 479280073 /nfs/dbraw/zinc/28/00/73/479280073.db2.gz HTSVTIQAWZFIEY-KRWDZBQOSA-N 1 0 326.444 2.701 40 0 EFABRO C[C@H]1Cc2nnc(COc3ncccc3F)n2CC[N@@H+]1C1CCCC1 ZINC000585098177 479280725 /nfs/dbraw/zinc/28/07/25/479280725.db2.gz QTRRBFIFGPDMAC-ZDUSSCGKSA-N 1 0 345.422 2.580 40 0 EFABRO C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1C1CCC1 ZINC000585097514 479281307 /nfs/dbraw/zinc/28/13/07/479281307.db2.gz KVQYZEPADMHJAO-LBPRGKRZSA-N 1 0 347.850 2.705 40 0 EFABRO CCOCc1nnc2n1CC[N@@H+](Cc1cccc3[nH]ccc31)[C@@H](C)C2 ZINC000585097113 479281322 /nfs/dbraw/zinc/28/13/22/479281322.db2.gz FWJUPKYYTLYILF-AWEZNQCLSA-N 1 0 339.443 2.743 40 0 EFABRO Cc1ncc(C[N@@H+]2CCC[C@@]3(CN(Cc4cncs4)C3=O)C2)s1 ZINC000585099414 479282546 /nfs/dbraw/zinc/28/25/46/479282546.db2.gz ISXQCRQVGFATDM-INIZCTEOSA-N 1 0 348.497 2.533 40 0 EFABRO COCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100839 479283338 /nfs/dbraw/zinc/28/33/38/479283338.db2.gz YNAAEQAYVRWFDP-LJQANCHMSA-N 1 0 334.435 2.819 40 0 EFABRO O=C1N(Cc2cncs2)C[C@@]12CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000585099703 479283460 /nfs/dbraw/zinc/28/34/60/479283460.db2.gz YTFXQPOCQWWYJF-HNNXBMFYSA-N 1 0 341.427 2.613 40 0 EFABRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585103728 479284053 /nfs/dbraw/zinc/28/40/53/479284053.db2.gz FNYXVIYOFPNUEI-PXNSSMCTSA-N 1 0 330.472 2.955 40 0 EFABRO CN1CC[C@@H](COCc2ccncc2)CC12C[NH+](CC1CCC1)C2 ZINC000585102664 479284264 /nfs/dbraw/zinc/28/42/64/479284264.db2.gz FFZPIUZWMAYPRI-LJQANCHMSA-N 1 0 329.488 2.795 40 0 EFABRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585103729 479284450 /nfs/dbraw/zinc/28/44/50/479284450.db2.gz FNYXVIYOFPNUEI-XLIONFOSSA-N 1 0 330.472 2.955 40 0 EFABRO Fc1cccnc1O[C@@H]1CSC2(C[NH+](CC3CCOCC3)C2)C1 ZINC000585105194 479285972 /nfs/dbraw/zinc/28/59/72/479285972.db2.gz PXNURGKEDXSTBR-AWEZNQCLSA-N 1 0 338.448 2.586 40 0 EFABRO Cc1ccccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585104361 479286304 /nfs/dbraw/zinc/28/63/04/479286304.db2.gz LCMDMFXSHBOPAJ-HXUWFJFHSA-N 1 0 330.472 2.702 40 0 EFABRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000585123412 479292438 /nfs/dbraw/zinc/29/24/38/479292438.db2.gz OHHMCFKNQUIGFM-ZDUSSCGKSA-N 1 0 340.480 2.804 40 0 EFABRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](c2ncc[nH]2)C1 ZINC000585141157 479298728 /nfs/dbraw/zinc/29/87/28/479298728.db2.gz QKYRMNRCSUVWMN-NWDGAFQWSA-N 1 0 341.440 2.836 40 0 EFABRO c1nc(Nc2cnc(C[C@H]3CC[NH2+]C3)cn2)sc1-c1ccccc1 ZINC000585263109 479302968 /nfs/dbraw/zinc/30/29/68/479302968.db2.gz LLMCTCNSPHGFRL-CYBMUJFWSA-N 1 0 337.452 3.496 40 0 EFABRO C[N@@H+]1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585182504 479302991 /nfs/dbraw/zinc/30/29/91/479302991.db2.gz NYQTWIJLNUQBEA-INIZCTEOSA-N 1 0 335.455 2.564 40 0 EFABRO COCCOc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OC ZINC000585270378 479304073 /nfs/dbraw/zinc/30/40/73/479304073.db2.gz VPTOKBBZWMZDFV-SFHVURJKSA-N 1 0 345.439 2.886 40 0 EFABRO O[C@]1(COc2cccc(F)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585275350 479304604 /nfs/dbraw/zinc/30/46/04/479304604.db2.gz CWGAOKCSBHSXAD-IBGZPJMESA-N 1 0 337.435 2.991 40 0 EFABRO CO[C@]1(COc2ccc(C)cc2)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585276500 479305941 /nfs/dbraw/zinc/30/59/41/479305941.db2.gz KIQAAZLZYPGTJH-LJQANCHMSA-N 1 0 327.428 2.763 40 0 EFABRO CO[C@@]1(COc2ccccc2C)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585278363 479307604 /nfs/dbraw/zinc/30/76/04/479307604.db2.gz RMGUPCWCKXKSRF-IBGZPJMESA-N 1 0 327.428 2.763 40 0 EFABRO C[C@@]1(C(N)=O)CCC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282270 479307767 /nfs/dbraw/zinc/30/77/67/479307767.db2.gz COFJVRHHJKXIDU-RLLQIKCJSA-N 1 0 330.472 2.663 40 0 EFABRO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@@H+](C3CCCC3)C2)c1 ZINC000585281599 479308242 /nfs/dbraw/zinc/30/82/42/479308242.db2.gz MKTOZBMBSMBPBN-HXUWFJFHSA-N 1 0 333.472 2.997 40 0 EFABRO CCCn1cc(C[NH2+]C[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 ZINC000585286062 479309154 /nfs/dbraw/zinc/30/91/54/479309154.db2.gz ILWREXCQLHZLEL-ATZDWAIDSA-N 1 0 347.434 2.740 40 0 EFABRO Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585287207 479309278 /nfs/dbraw/zinc/30/92/78/479309278.db2.gz UNEKNBDJGRONND-FSPWUOQZSA-N 1 0 334.391 2.739 40 0 EFABRO Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[C@@H](Oc2ccc(C)cc2)[C@@H]1O ZINC000585287357 479309484 /nfs/dbraw/zinc/30/94/84/479309484.db2.gz YPIVQSVCCIGVJP-ATZDWAIDSA-N 1 0 329.444 2.725 40 0 EFABRO Cc1nnsc1C[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288555 479309923 /nfs/dbraw/zinc/30/99/23/479309923.db2.gz DOHWKOZVUGITQI-YSVLISHTSA-N 1 0 333.457 2.606 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH+]2CCN(C(C)C)CC2)[C@H]1O ZINC000585289996 479310730 /nfs/dbraw/zinc/31/07/30/479310730.db2.gz YVDBRIJHSJRCIJ-DFQSSKMNSA-N 1 0 332.488 2.682 40 0 EFABRO CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cc1 ZINC000585293994 479311097 /nfs/dbraw/zinc/31/10/97/479311097.db2.gz CNIOYEKEBKOKEL-NJDAHSKKSA-N 1 0 341.451 2.715 40 0 EFABRO COc1ccc2c(c1)[C@H](C(=O)NCC[N@H+]1CC=C(C)CC1)CCC2 ZINC000655000643 482125752 /nfs/dbraw/zinc/12/57/52/482125752.db2.gz YNUHWFCZRRGRKR-GOSISDBHSA-N 1 0 328.456 2.883 40 0 EFABRO COc1ccccc1CC(=O)N1CCC([NH2+]C2CCSCC2)CC1 ZINC000131585286 534007423 /nfs/dbraw/zinc/00/74/23/534007423.db2.gz CFHQVUADYCCYPF-UHFFFAOYSA-N 1 0 348.512 2.714 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)CCOc3ccccc3)CC2)[N@@H+]1C ZINC000096209541 522811319 /nfs/dbraw/zinc/81/13/19/522811319.db2.gz FCLMSBMIOLUVOV-QGZVFWFLSA-N 1 0 346.471 2.557 40 0 EFABRO CC(C)OC1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000187332023 527885644 /nfs/dbraw/zinc/88/56/44/527885644.db2.gz XMKQJQAEHOWFLT-UHFFFAOYSA-N 1 0 325.497 2.848 40 0 EFABRO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130208929 528490414 /nfs/dbraw/zinc/49/04/14/528490414.db2.gz HRMZKYLWIOJKFA-FUHWJXTLSA-N 1 0 335.467 2.986 40 0 EFABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223210117 535833508 /nfs/dbraw/zinc/83/35/08/535833508.db2.gz OJZYXDDGKNTHCS-JKSUJKDBSA-N 1 0 330.457 2.599 40 0 EFABRO CN(CC[NH+](C)C)c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799513 535854982 /nfs/dbraw/zinc/85/49/82/535854982.db2.gz UXQVQGRMWDNCMN-UHFFFAOYSA-N 1 0 342.781 2.545 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2c(F)cccc2F)n1 ZINC000257276181 536052633 /nfs/dbraw/zinc/05/26/33/536052633.db2.gz NSQMVBSJZDSNBO-OAHLLOKOSA-N 1 0 346.381 2.794 40 0 EFABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2)c1 ZINC000257261917 536060435 /nfs/dbraw/zinc/06/04/35/536060435.db2.gz LJIGRKRODOIQPS-UHFFFAOYSA-N 1 0 334.423 2.864 40 0 EFABRO COC[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289793 536828296 /nfs/dbraw/zinc/82/82/96/536828296.db2.gz FEPMXSHENAYPHZ-GHJWDPDVSA-N 1 0 342.842 2.871 40 0 EFABRO COc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1OC ZINC000217562375 536896705 /nfs/dbraw/zinc/89/67/05/536896705.db2.gz SFLIVQHIJHUOLR-AWEZNQCLSA-N 1 0 339.399 2.623 40 0 EFABRO COc1ccccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257262708 537089052 /nfs/dbraw/zinc/08/90/52/537089052.db2.gz LMMRUENIXOCWPQ-ICSRJNTNSA-N 1 0 346.471 2.939 40 0 EFABRO CCn1nncc1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087352 546371320 /nfs/dbraw/zinc/37/13/20/546371320.db2.gz SIXQNRPVUQMNGQ-YZGWKJHDSA-N 1 0 339.487 2.688 40 0 EFABRO O=C(NC1CCC1)[C@@H]1C[N@H+](CC2CC2)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595887 1249167185 /nfs/dbraw/zinc/16/71/85/1249167185.db2.gz QRFXHUZODSMINX-AOIWGVFYSA-N 1 0 344.430 2.886 40 0 EFABRO Cc1cc2n(n1)C1(CC[NH+](CC3CC3)CC1)CC(=O)N2CC1CC1 ZINC001772596594 1249174413 /nfs/dbraw/zinc/17/44/13/1249174413.db2.gz XGUXYWOFSFWXDZ-UHFFFAOYSA-N 1 0 328.460 2.539 40 0 EFABRO CC(C)(C)c1coc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC001262271861 1316458026 /nfs/dbraw/zinc/45/80/26/1316458026.db2.gz HFRAYXOWRBPDJV-UHFFFAOYSA-N 1 0 340.387 2.875 40 0 EFABRO COCCC1(NC(=O)C2CC2)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000824378299 1321625521 /nfs/dbraw/zinc/62/55/21/1321625521.db2.gz KHCJCNKWEMHVQF-UHFFFAOYSA-N 1 0 330.472 2.892 40 0 EFABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(Br)o1 ZINC000090608904 282128834 /nfs/dbraw/zinc/12/88/34/282128834.db2.gz ZWAFRWYGELTSPG-SNVBAGLBSA-N 1 0 347.278 2.551 40 0 EFABRO Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067206437 282228307 /nfs/dbraw/zinc/22/83/07/282228307.db2.gz FTLHQZXSMRVUGH-OAHLLOKOSA-N 1 0 340.471 2.851 40 0 EFABRO Cc1nc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2[nH]1 ZINC000012147443 201828795 /nfs/dbraw/zinc/82/87/95/201828795.db2.gz YIAYELAYSDQMCB-KBPBESRZSA-N 1 0 328.460 2.969 40 0 EFABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCC[NH2+]C1 ZINC000012157407 201830116 /nfs/dbraw/zinc/83/01/16/201830116.db2.gz KFDMFMOYJPEUJG-KXBFYZLASA-N 1 0 330.428 2.811 40 0 EFABRO O=C(Cn1cccc2cc([C@H]3CCC[NH2+]C3)nc1-2)N1CCCCCC1 ZINC000012234134 201834690 /nfs/dbraw/zinc/83/46/90/201834690.db2.gz JHCAVMSMDTZXTP-KRWDZBQOSA-N 1 0 340.471 2.858 40 0 EFABRO COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cnn(C)c2)cc1 ZINC000012408128 201844776 /nfs/dbraw/zinc/84/47/76/201844776.db2.gz VXGSXMCODLSMLB-FCEWJHQRSA-N 1 0 327.428 2.861 40 0 EFABRO COc1ccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)cc1O ZINC000066974168 215100358 /nfs/dbraw/zinc/10/03/58/215100358.db2.gz WTOQUNNNBWMHIE-UHFFFAOYSA-N 1 0 328.368 2.647 40 0 EFABRO COc1c(C)cccc1CN1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019236001 202001009 /nfs/dbraw/zinc/00/10/09/202001009.db2.gz AZHHWFCDSFFWRR-SFHVURJKSA-N 1 0 338.455 2.776 40 0 EFABRO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)s1 ZINC000019217257 202001168 /nfs/dbraw/zinc/00/11/68/202001168.db2.gz BISIZDJDHNJZBH-GBESFXJTSA-N 1 0 342.508 2.919 40 0 EFABRO COc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291395 202002064 /nfs/dbraw/zinc/00/20/64/202002064.db2.gz KGZMVCMNMYCUAM-XEWABKELSA-N 1 0 341.455 2.548 40 0 EFABRO O=C(CCC1CCCC1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292302 202002847 /nfs/dbraw/zinc/00/28/47/202002847.db2.gz YCDPYPQBYULDJF-INIZCTEOSA-N 1 0 342.487 2.799 40 0 EFABRO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[nH]1 ZINC000019285246 202003080 /nfs/dbraw/zinc/00/30/80/202003080.db2.gz SNWYSCRLSBXFFJ-MRXNPFEDSA-N 1 0 327.428 2.855 40 0 EFABRO Cn1cnc(C(=O)N2CC[C@H](c3ccccc3)[C@H]3[NH2+]CCCC[C@H]32)c1 ZINC000019290785 202003248 /nfs/dbraw/zinc/00/32/48/202003248.db2.gz OTDSCBBNQQVETP-BHIYHBOVSA-N 1 0 338.455 2.561 40 0 EFABRO O=C(CCC1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292348 202003332 /nfs/dbraw/zinc/00/33/32/202003332.db2.gz KMBNQJDLHVMUNQ-KRWDZBQOSA-N 1 0 328.460 2.756 40 0 EFABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccn1-c1ccccc1F ZINC000019368479 202005659 /nfs/dbraw/zinc/00/56/59/202005659.db2.gz CWJOIYNGCMPPAY-SJORKVTESA-N 1 0 343.446 2.647 40 0 EFABRO O=c1cc([C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402855 202006800 /nfs/dbraw/zinc/00/68/00/202006800.db2.gz KWSCHPBLUXFIHA-JKSUJKDBSA-N 1 0 336.439 2.978 40 0 EFABRO [NH3+]CC(=O)N1[C@@H]2CC[C@H]1Cc1nc(C3CC3)nc(Nc3ccccc3)c12 ZINC000019373009 202007922 /nfs/dbraw/zinc/00/79/22/202007922.db2.gz JQLIUIXDRJOVPP-GOEBONIOSA-N 1 0 349.438 2.645 40 0 EFABRO COc1ccc2ccccc2c1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CCO ZINC000019564033 202010963 /nfs/dbraw/zinc/01/09/63/202010963.db2.gz SMYBPMHPKGPSBL-MSOLQXFVSA-N 1 0 340.467 2.879 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)c(C)c(=O)[nH]2)C1 ZINC000019555416 202011679 /nfs/dbraw/zinc/01/16/79/202011679.db2.gz UDLXPAQTRWQGLT-MRXNPFEDSA-N 1 0 327.428 2.775 40 0 EFABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019591930 202012354 /nfs/dbraw/zinc/01/23/54/202012354.db2.gz XITTYVVJNZFZCY-QZTJIDSGSA-N 1 0 340.398 2.503 40 0 EFABRO CN(CCC[NH+]1CCCCC1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000019586082 202012652 /nfs/dbraw/zinc/01/26/52/202012652.db2.gz JADNTNBDUVPRQY-KRWDZBQOSA-N 1 0 336.863 2.978 40 0 EFABRO COCCC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019583990 202013314 /nfs/dbraw/zinc/01/33/14/202013314.db2.gz KMBYBSDCUPKXJY-UHFFFAOYSA-N 1 0 346.471 2.687 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c(C)c1C ZINC000019577276 202013458 /nfs/dbraw/zinc/01/34/58/202013458.db2.gz ANTKICJGFGMMLM-INIZCTEOSA-N 1 0 327.428 2.693 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)ncc2C1 ZINC000019590496 202013813 /nfs/dbraw/zinc/01/38/13/202013813.db2.gz OWNMTGYKSWQOMF-KRWDZBQOSA-N 1 0 328.460 2.708 40 0 EFABRO Cc1nn([C@H](C)CC(=O)N2CCC[C@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019577498 202013874 /nfs/dbraw/zinc/01/38/74/202013874.db2.gz DWMOUHMAZSZJOJ-IUODEOHRSA-N 1 0 340.899 2.905 40 0 EFABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)Cc2ccccc2C)n1 ZINC000019709963 202016439 /nfs/dbraw/zinc/01/64/39/202016439.db2.gz KLZKDBLKGISNAN-MRXNPFEDSA-N 1 0 339.487 2.926 40 0 EFABRO Fc1cnc(N2CCOC3(CC[NH+](Cc4cccs4)CC3)C2)nc1 ZINC000096049004 283035106 /nfs/dbraw/zinc/03/51/06/283035106.db2.gz OELFZWTYRZXUFO-UHFFFAOYSA-N 1 0 348.447 2.549 40 0 EFABRO CCOC1CCN(C(=O)CC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000019748735 202019961 /nfs/dbraw/zinc/01/99/61/202019961.db2.gz UGZDKIKOBPLFQO-UHFFFAOYSA-N 1 0 345.487 2.711 40 0 EFABRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179270 202035679 /nfs/dbraw/zinc/03/56/79/202035679.db2.gz ZDRIFGCXKYIGRW-HNNXBMFYSA-N 1 0 339.867 2.893 40 0 EFABRO CC(C)C[NH2+]C1(Cc2cc(CN(C)Cc3ccccc3)on2)COC1 ZINC000067898122 202038869 /nfs/dbraw/zinc/03/88/69/202038869.db2.gz WLZBDWQZNUXZGX-UHFFFAOYSA-N 1 0 343.471 2.864 40 0 biogenic,in-vitro EFABRO CCN1CCC[C@H]1C[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029793 202078007 /nfs/dbraw/zinc/07/80/07/202078007.db2.gz VHZCEHVYTHWFHP-ZDUSSCGKSA-N 1 0 345.365 2.598 40 0 EFABRO COc1cccc(OC)c1CN(CC[NH+](C)C)Cc1ccncc1 ZINC000022913759 202095830 /nfs/dbraw/zinc/09/58/30/202095830.db2.gz KVWKGEKYMAVZDT-UHFFFAOYSA-N 1 0 329.444 2.663 40 0 EFABRO C[NH+](C)CCN(Cc1cncn1Cc1ccccc1)Cc1ccccn1 ZINC000022913579 202095842 /nfs/dbraw/zinc/09/58/42/202095842.db2.gz VHRKVLCLVBVJNV-UHFFFAOYSA-N 1 0 349.482 2.890 40 0 EFABRO C[NH+](C)CCCNC(=S)Nc1ccc(Br)cc1F ZINC000023102481 202097905 /nfs/dbraw/zinc/09/79/05/202097905.db2.gz LWTIYZXKWVTLHF-UHFFFAOYSA-N 1 0 334.258 2.826 40 0 EFABRO COc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000023233136 202100089 /nfs/dbraw/zinc/10/00/89/202100089.db2.gz HLHYBHZNABCSEC-UHFFFAOYSA-N 1 0 347.459 2.852 40 0 EFABRO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736553 202108782 /nfs/dbraw/zinc/10/87/82/202108782.db2.gz VQEYZCLMKONLAE-KSZLIROESA-N 1 0 334.504 2.964 40 0 EFABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000026843007 202148789 /nfs/dbraw/zinc/14/87/89/202148789.db2.gz KCAJGVATOBORBJ-UHFFFAOYSA-N 1 0 330.453 2.761 40 0 EFABRO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/c1cnn(C)c1 ZINC000030553498 202196004 /nfs/dbraw/zinc/19/60/04/202196004.db2.gz PQKOOSOKZQYDTA-ZHACJKMWSA-N 1 0 326.444 2.592 40 0 EFABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000031075286 202202595 /nfs/dbraw/zinc/20/25/95/202202595.db2.gz KOJNUBZZAHMIJP-UHFFFAOYSA-N 1 0 348.443 2.900 40 0 EFABRO OCC[NH2+]CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000032578088 202227907 /nfs/dbraw/zinc/22/79/07/202227907.db2.gz VQSKKSQOMGUITP-UHFFFAOYSA-N 1 0 329.227 2.925 40 0 EFABRO CC[NH+]1CCN(Cn2nc(C=Cc3ccccc3)[nH]c2=S)CC1 ZINC000032899368 212864336 /nfs/dbraw/zinc/86/43/36/212864336.db2.gz AUSQBNVZSHZTSQ-CMDGGOBGSA-N 1 0 329.473 2.706 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000036741287 202331042 /nfs/dbraw/zinc/33/10/42/202331042.db2.gz IEXJXWCUJQTYAV-ICSRJNTNSA-N 1 0 345.414 2.851 40 0 EFABRO Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000071195852 202342132 /nfs/dbraw/zinc/34/21/32/202342132.db2.gz AVHQPONJYHLZHF-INIZCTEOSA-N 1 0 342.443 2.806 40 0 EFABRO CCN(CC)c1nc(C)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000072240406 202356448 /nfs/dbraw/zinc/35/64/48/202356448.db2.gz ANMNMWGAEVHOHR-UHFFFAOYSA-N 1 0 347.507 2.670 40 0 EFABRO Cc1snnc1C(=O)N[C@H](CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000072244364 202358264 /nfs/dbraw/zinc/35/82/64/202358264.db2.gz XWEXYEXAOZSEAM-CYBMUJFWSA-N 1 0 338.864 2.923 40 0 EFABRO COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1 ZINC000073314478 202369688 /nfs/dbraw/zinc/36/96/88/202369688.db2.gz QAGUOVXXICQQAY-UHFFFAOYSA-N 1 0 334.441 2.866 40 0 EFABRO CC1CC[NH+](CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1 ZINC000072320663 202363363 /nfs/dbraw/zinc/36/33/63/202363363.db2.gz UQUOKGKLRHZAFD-FHWLQOOXSA-N 1 0 346.471 2.656 40 0 biogenic,in-vitro EFABRO CCOC(=O)N(C)C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000075685123 202382052 /nfs/dbraw/zinc/38/20/52/202382052.db2.gz NVTJJOGDNLXSDQ-UHFFFAOYSA-N 1 0 332.444 2.717 40 0 EFABRO NC(=O)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075638773 202382636 /nfs/dbraw/zinc/38/26/36/202382636.db2.gz VHJZZUUSBALUPG-UHFFFAOYSA-N 1 0 330.350 2.715 40 0 EFABRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000075714698 202382846 /nfs/dbraw/zinc/38/28/46/202382846.db2.gz YYMWIOAPRCKAOB-CYBMUJFWSA-N 1 0 330.350 2.858 40 0 EFABRO Cc1cc(CC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000073457596 202370092 /nfs/dbraw/zinc/37/00/92/202370092.db2.gz BXZHMVWPVYPMPP-UHFFFAOYSA-N 1 0 345.418 2.693 40 0 EFABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cncc(Br)c1 ZINC000073642311 202370132 /nfs/dbraw/zinc/37/01/32/202370132.db2.gz ZBFZVNGMENFCMB-UHFFFAOYSA-N 1 0 345.200 2.506 40 0 EFABRO CC[C@H]1c2ccccc2CCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000073678760 202370935 /nfs/dbraw/zinc/37/09/35/202370935.db2.gz ZJVWMGYQYIOMGK-IBGZPJMESA-N 1 0 329.488 2.550 40 0 EFABRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000078552565 202396129 /nfs/dbraw/zinc/39/61/29/202396129.db2.gz SASJHLRJSGFJHN-UHFFFAOYSA-N 1 0 342.395 2.585 40 0 EFABRO CN(Cc1ccco1)C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078550565 202396157 /nfs/dbraw/zinc/39/61/57/202396157.db2.gz CFUFEZWTOKJMRP-UHFFFAOYSA-N 1 0 346.406 2.834 40 0 EFABRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000078610610 202397772 /nfs/dbraw/zinc/39/77/72/202397772.db2.gz BEDBXKQVSMMIDF-INIZCTEOSA-N 1 0 336.863 2.705 40 0 EFABRO Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000076981448 202388455 /nfs/dbraw/zinc/38/84/55/202388455.db2.gz OEZHILIETPXKMN-IUODEOHRSA-N 1 0 336.505 2.947 40 0 EFABRO Fc1cc2ncnc(N3CCC[N@@H+](C4CCOCC4)CC3)c2cc1F ZINC000078294916 202390730 /nfs/dbraw/zinc/39/07/30/202390730.db2.gz YVGCGDHMEBTVBD-UHFFFAOYSA-N 1 0 348.397 2.599 40 0 EFABRO CC[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000077262403 202392076 /nfs/dbraw/zinc/39/20/76/202392076.db2.gz SFHXJVHMHKMIBM-XYJFISCASA-N 1 0 334.391 2.541 40 0 biogenic,in-vitro EFABRO CO[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000078917885 202409649 /nfs/dbraw/zinc/40/96/49/202409649.db2.gz ZVFUJTDFAFWRMV-GOSISDBHSA-N 1 0 346.471 2.525 40 0 EFABRO Cc1ccc(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)c(O)c1 ZINC000079336522 202432705 /nfs/dbraw/zinc/43/27/05/202432705.db2.gz VGLKDMLMEATOTO-UHFFFAOYSA-N 1 0 339.439 2.533 40 0 EFABRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000225631398 201035757 /nfs/dbraw/zinc/03/57/57/201035757.db2.gz WSPXGECMPKPNEP-FZMZJTMJSA-N 1 0 346.290 2.547 40 0 EFABRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000195542886 201149789 /nfs/dbraw/zinc/14/97/89/201149789.db2.gz WOJRBXLIULZFAT-JTQLQIEISA-N 1 0 329.213 2.708 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1 ZINC000245338859 201152281 /nfs/dbraw/zinc/15/22/81/201152281.db2.gz OYGNFFQAQHPKAH-YLFCFFPRSA-N 1 0 349.450 2.541 40 0 EFABRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343963 201152394 /nfs/dbraw/zinc/15/23/94/201152394.db2.gz WQHOGAYPOLSXLI-DAXOMENPSA-N 1 0 340.826 2.767 40 0 EFABRO CCc1oc2ccccc2c1CN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261886122 201199367 /nfs/dbraw/zinc/19/93/67/201199367.db2.gz VBVYSXYOZZZMTQ-GOSISDBHSA-N 1 0 330.428 2.708 40 0 EFABRO C[NH+](C)C[C@](C)(O)CNCc1cc(Br)c(Cl)s1 ZINC000191471521 239130649 /nfs/dbraw/zinc/13/06/49/239130649.db2.gz KEYVXTWKKPCEKA-LLVKDONJSA-N 1 0 341.702 2.566 40 0 EFABRO C[NH+](C)C[C@@](C)(O)CNCc1cc(Br)c(Cl)s1 ZINC000191471534 239131065 /nfs/dbraw/zinc/13/10/65/239131065.db2.gz KEYVXTWKKPCEKA-NSHDSACASA-N 1 0 341.702 2.566 40 0 EFABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)nn1 ZINC000283227329 201329399 /nfs/dbraw/zinc/32/93/99/201329399.db2.gz TYUVCSSWBHVCSL-HZPDHXFCSA-N 1 0 331.416 2.947 40 0 EFABRO CC[C@@](C)(COc1ncccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC000154406062 201395625 /nfs/dbraw/zinc/39/56/25/201395625.db2.gz JEYHNORMWGHHNV-KRWDZBQOSA-N 1 0 339.867 2.741 40 0 EFABRO Cn1ccnc1[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(F)c1 ZINC000155045414 201396070 /nfs/dbraw/zinc/39/60/70/201396070.db2.gz VFBHYVXKTTZISR-QGZVFWFLSA-N 1 0 345.418 2.924 40 0 EFABRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H]2CCO[C@@H]21 ZINC000153607864 201394644 /nfs/dbraw/zinc/39/46/44/201394644.db2.gz RQZNFBLJHSWOJI-CUBALJKWSA-N 1 0 334.847 2.848 40 0 EFABRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191889651 239366311 /nfs/dbraw/zinc/36/63/11/239366311.db2.gz AEGSOODPJZHOGF-SJORKVTESA-N 1 0 326.444 2.966 40 0 EFABRO COc1cccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000047416503 202581676 /nfs/dbraw/zinc/58/16/76/202581676.db2.gz BNUSGXNMKDGQQP-HUUCEWRRSA-N 1 0 334.460 2.802 40 0 EFABRO Cc1cc2c(cc1CN(CC[NH+](C)C)Cc1cccnc1)OCO2 ZINC000022931624 212335857 /nfs/dbraw/zinc/33/58/57/212335857.db2.gz VVTHLNRUVVFQAJ-UHFFFAOYSA-N 1 0 327.428 2.683 40 0 EFABRO Cc1cc2cc(C[NH2+]CCN3CCOCC3)c(Cl)nc2cc1C ZINC000022930572 212335694 /nfs/dbraw/zinc/33/56/94/212335694.db2.gz KPTRFJGCCNANBH-UHFFFAOYSA-N 1 0 333.863 2.927 40 0 EFABRO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022912375 212333040 /nfs/dbraw/zinc/33/30/40/212333040.db2.gz FZYGLXLTKSKKPV-QWFCFKBJSA-N 1 0 332.488 2.515 40 0 EFABRO CCN1CCC[C@H]1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022912378 212332745 /nfs/dbraw/zinc/33/27/45/212332745.db2.gz FZYGLXLTKSKKPV-NLWGTHIKSA-N 1 0 332.488 2.515 40 0 EFABRO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022832022 212326848 /nfs/dbraw/zinc/32/68/48/212326848.db2.gz HKKATMXDCMOYPH-UHFFFAOYSA-N 1 0 337.467 2.802 40 0 EFABRO Nc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccn1 ZINC000193544419 240208562 /nfs/dbraw/zinc/20/85/62/240208562.db2.gz ZYHUEJABEVBHKS-GFCCVEGCSA-N 1 0 325.338 2.716 40 0 EFABRO CCOc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228977056 240234281 /nfs/dbraw/zinc/23/42/81/240234281.db2.gz LCCHICPNYIPZJQ-UHFFFAOYSA-N 1 0 338.415 2.893 40 0 EFABRO CCc1ncc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000193852547 240335472 /nfs/dbraw/zinc/33/54/72/240335472.db2.gz OVQFRQYAYDHEOO-INIZCTEOSA-N 1 0 339.443 2.683 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)n1 ZINC000257341274 240313214 /nfs/dbraw/zinc/31/32/14/240313214.db2.gz ZJPPOYKFCRCDOA-OALUTQOASA-N 1 0 330.403 2.933 40 0 EFABRO CCCn1cc(Cl)c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000257326117 240313543 /nfs/dbraw/zinc/31/35/43/240313543.db2.gz WVWXTSPDSULKQC-HNNXBMFYSA-N 1 0 332.835 2.733 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)CCc3c(C)noc3C)C2)c1 ZINC000257341158 240313783 /nfs/dbraw/zinc/31/37/83/240313783.db2.gz ZJBOUIYLUDHXII-HNNXBMFYSA-N 1 0 342.443 2.985 40 0 EFABRO CCNC(=O)c1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194002109 240395107 /nfs/dbraw/zinc/39/51/07/240395107.db2.gz SJDDENZCGHYWQP-FGTMMUONSA-N 1 0 328.456 2.874 40 0 EFABRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1nccs1 ZINC000192051390 283849905 /nfs/dbraw/zinc/84/99/05/283849905.db2.gz KGAIVEDNCAYOBJ-TZMCWYRMSA-N 1 0 337.832 2.855 40 0 EFABRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000195445650 240963282 /nfs/dbraw/zinc/96/32/82/240963282.db2.gz DPOJDFGWSFMTAN-UHFFFAOYSA-N 1 0 342.892 2.695 40 0 EFABRO FC(F)(F)CCN1CCC([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000195556402 241005393 /nfs/dbraw/zinc/00/53/93/241005393.db2.gz FDRHCFDJQUCGBG-HNNXBMFYSA-N 1 0 328.378 2.997 40 0 EFABRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000195577835 241024289 /nfs/dbraw/zinc/02/42/89/241024289.db2.gz XCDWWROYWGUQCP-CQSZACIVSA-N 1 0 341.402 2.566 40 0 EFABRO CC[NH2+]CCNc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799551 241039393 /nfs/dbraw/zinc/03/93/93/241039393.db2.gz ZQFUHRSEEJPJHK-UHFFFAOYSA-N 1 0 328.754 2.568 40 0 EFABRO Cc1cccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(C)cc2N)c1 ZINC000216867887 241218210 /nfs/dbraw/zinc/21/82/10/241218210.db2.gz JQHYIXSRFYKCCT-UHFFFAOYSA-N 1 0 338.455 2.890 40 0 EFABRO COc1cccc(OC[C@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)c1 ZINC000000316298 201460085 /nfs/dbraw/zinc/46/00/85/201460085.db2.gz JCWKZYLXQAHFSG-MRXNPFEDSA-N 1 0 341.431 2.531 40 0 EFABRO COc1ccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)cc1OC ZINC000000299612 201458160 /nfs/dbraw/zinc/45/81/60/201458160.db2.gz ASJJYZYSDSIDFE-UHFFFAOYSA-N 1 0 334.460 2.831 40 0 EFABRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000225718864 242002720 /nfs/dbraw/zinc/00/27/20/242002720.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 1 0 331.489 2.756 40 0 EFABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCC1 ZINC000225753543 242019027 /nfs/dbraw/zinc/01/90/27/242019027.db2.gz GVANIUALYBTVPZ-MRXNPFEDSA-N 1 0 330.472 2.935 40 0 EFABRO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000035052937 201515967 /nfs/dbraw/zinc/51/59/67/201515967.db2.gz WSYOLZVNRJITHS-INMHGKMJSA-N 1 0 337.460 2.844 40 0 EFABRO CC1CC[NH+](CCCNC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000004991570 201631352 /nfs/dbraw/zinc/63/13/52/201631352.db2.gz VXGXIQHQLXIVIZ-UHFFFAOYSA-N 1 0 343.471 2.665 40 0 EFABRO Cn1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000242191450 243013526 /nfs/dbraw/zinc/01/35/26/243013526.db2.gz XFPBVVPQXKOPMB-INIZCTEOSA-N 1 0 338.377 2.803 40 0 EFABRO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000241775892 243001215 /nfs/dbraw/zinc/00/12/15/243001215.db2.gz RPZLUEYMCCULTN-SOLBZPMBSA-N 1 0 346.471 2.594 40 0 EFABRO CC(C)Oc1ccc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090699827 203005211 /nfs/dbraw/zinc/00/52/11/203005211.db2.gz RSLAXBPUUQYOHD-MRXNPFEDSA-N 1 0 336.501 2.983 40 0 EFABRO c1nnc([C@@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)n1C1CC1 ZINC000091630669 203075723 /nfs/dbraw/zinc/07/57/23/203075723.db2.gz LFASCYHFVVUECD-QGZVFWFLSA-N 1 0 338.455 2.970 40 0 EFABRO c1cc2n(n1)C[C@H](OCc1ccncc1)C[N@@H+](CC1CCCC1)C2 ZINC000253588544 244026984 /nfs/dbraw/zinc/02/69/84/244026984.db2.gz HFJISJMGGRHTOT-LJQANCHMSA-N 1 0 326.444 2.869 40 0 EFABRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC2CCSCC2)C1 ZINC000092160967 203078802 /nfs/dbraw/zinc/07/88/02/203078802.db2.gz LUHUZKCCHGYWJR-OAHLLOKOSA-N 1 0 333.501 2.691 40 0 EFABRO C[NH+](C)CC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000253630004 244042373 /nfs/dbraw/zinc/04/23/73/244042373.db2.gz RBUJNXIODHJGIC-UHFFFAOYSA-N 1 0 325.250 2.717 40 0 EFABRO C[C@]1(c2nccc(CN3CCC([NH+]4CCCCC4)CC3)n2)CCCO1 ZINC000257201894 244120867 /nfs/dbraw/zinc/12/08/67/244120867.db2.gz AJNRRZLPHHRUGT-HXUWFJFHSA-N 1 0 344.503 2.953 40 0 EFABRO CCn1cc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c(C)n1 ZINC000257217943 244174567 /nfs/dbraw/zinc/17/45/67/244174567.db2.gz DBFNQPMEDVOOIN-GOSISDBHSA-N 1 0 342.491 2.709 40 0 EFABRO Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)n1 ZINC000257207823 244140973 /nfs/dbraw/zinc/14/09/73/244140973.db2.gz BJLGRWFKZJGXHZ-YOEHRIQHSA-N 1 0 340.418 2.604 40 0 EFABRO Cc1csc(Nc2cccc(CC3CC[NH+](CCO)CC3)n2)n1 ZINC000257209825 244145205 /nfs/dbraw/zinc/14/52/05/244145205.db2.gz BSADYRNBFWNMQQ-UHFFFAOYSA-N 1 0 332.473 2.837 40 0 EFABRO CN(C)c1nc([C@@H]2CCC[NH2+]C2)ccc1C(=O)NCc1ccccc1 ZINC000257209285 244146877 /nfs/dbraw/zinc/14/68/77/244146877.db2.gz BPTKEHVSBIDCFH-MRXNPFEDSA-N 1 0 338.455 2.545 40 0 EFABRO OCCOc1cccc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)c1 ZINC000257210871 244149326 /nfs/dbraw/zinc/14/93/26/244149326.db2.gz BWMQKOICGGFOJX-GOSISDBHSA-N 1 0 326.440 2.907 40 0 EFABRO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000257211196 244149572 /nfs/dbraw/zinc/14/95/72/244149572.db2.gz BXWAXMIICHGLME-MRXNPFEDSA-N 1 0 334.427 2.570 40 0 EFABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257212622 244157253 /nfs/dbraw/zinc/15/72/53/244157253.db2.gz CEGVDSLLLJSQRF-SCLBCKFNSA-N 1 0 329.419 2.758 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@]1(C)c1ncc(Cc2cccc(F)c2)o1 ZINC000257215109 244163247 /nfs/dbraw/zinc/16/32/47/244163247.db2.gz COSQBGAMDQFMPL-IBGZPJMESA-N 1 0 345.418 2.804 40 0 EFABRO Cn1cncc1CN1CC[N@H+](C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257222647 244187293 /nfs/dbraw/zinc/18/72/93/244187293.db2.gz DUEHPGXCKLVJED-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO CCc1cc(C[C@@H]2CCC[N@H+](CC(=O)NC)CC2)c2cnccc2n1 ZINC000257222448 244189503 /nfs/dbraw/zinc/18/95/03/244189503.db2.gz DTIYCXLKCNYNLT-OAHLLOKOSA-N 1 0 340.471 2.583 40 0 EFABRO NC(=O)C1(CCCc2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000257224258 244195571 /nfs/dbraw/zinc/19/55/71/244195571.db2.gz FAZFKSLXDBMPNC-UHFFFAOYSA-N 1 0 338.455 2.567 40 0 EFABRO CN(Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000257231863 244217191 /nfs/dbraw/zinc/21/71/91/244217191.db2.gz GILRJZOHVIPPQQ-YRXWBPOGSA-N 1 0 346.858 2.680 40 0 EFABRO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2Cc2ncccc2F)n1 ZINC000257230166 244210784 /nfs/dbraw/zinc/21/07/84/244210784.db2.gz GBCYIFFGHGCTGO-KRWDZBQOSA-N 1 0 329.423 2.718 40 0 EFABRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093360814 203185083 /nfs/dbraw/zinc/18/50/83/203185083.db2.gz FSVIGSSOAACHJS-QGZVFWFLSA-N 1 0 339.439 2.619 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384391 203210740 /nfs/dbraw/zinc/21/07/40/203210740.db2.gz ACKGNGQNOTZINI-HNNXBMFYSA-N 1 0 344.390 2.809 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384393 203211122 /nfs/dbraw/zinc/21/11/22/203211122.db2.gz FSIUGCKYGJDXQQ-HNNXBMFYSA-N 1 0 326.400 2.670 40 0 EFABRO Cc1ccc2c(c1)cc(C[NH2+]Cc1ccc3c(c1)OCO3)c1nnnn12 ZINC000020151098 212106667 /nfs/dbraw/zinc/10/66/67/212106667.db2.gz JUOUGPLCSFVKCG-UHFFFAOYSA-N 1 0 347.378 2.604 40 0 EFABRO CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)c1C ZINC000257237283 244233299 /nfs/dbraw/zinc/23/32/99/244233299.db2.gz HFVWHIUKWOQLFJ-AMVTXUCVSA-N 1 0 330.476 2.758 40 0 EFABRO Cc1nc(CC(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)cs1 ZINC000257239020 244237345 /nfs/dbraw/zinc/23/73/45/244237345.db2.gz HNOFZRCCNSYDMZ-KRWDZBQOSA-N 1 0 344.484 2.814 40 0 EFABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349516 203203765 /nfs/dbraw/zinc/20/37/65/203203765.db2.gz GHSPZYDRMAANJQ-SFHVURJKSA-N 1 0 337.467 2.940 40 0 EFABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350567 203204234 /nfs/dbraw/zinc/20/42/34/203204234.db2.gz VUAQAYPUXALVGN-MRXNPFEDSA-N 1 0 348.454 2.999 40 0 EFABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360361 203204919 /nfs/dbraw/zinc/20/49/19/203204919.db2.gz PXVQTDXPOATXCT-INIZCTEOSA-N 1 0 340.431 2.635 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359092 203205360 /nfs/dbraw/zinc/20/53/60/203205360.db2.gz BCVKLHOCQQJECC-CQSZACIVSA-N 1 0 342.418 2.550 40 0 EFABRO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+]2Cc2cccnc2)c1 ZINC000072360467 203205888 /nfs/dbraw/zinc/20/58/88/203205888.db2.gz UDUIGRLPBMEDAO-IBGZPJMESA-N 1 0 338.455 2.801 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072362885 203206623 /nfs/dbraw/zinc/20/66/23/203206623.db2.gz COZFJQZXFYDTHW-MRXNPFEDSA-N 1 0 344.390 2.633 40 0 EFABRO C[NH2+]CC(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000072363312 203206754 /nfs/dbraw/zinc/20/67/54/203206754.db2.gz CZGOFIYJFGIPGZ-HNNXBMFYSA-N 1 0 340.427 2.503 40 0 EFABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257247029 244260567 /nfs/dbraw/zinc/26/05/67/244260567.db2.gz IXBVPMYUJVTCEN-AWEZNQCLSA-N 1 0 338.415 2.536 40 0 EFABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](Cc4cnccn4)C3)ccc12 ZINC000257248143 244264076 /nfs/dbraw/zinc/26/40/76/244264076.db2.gz JCHOBYYAXISMRH-IBGZPJMESA-N 1 0 336.443 2.620 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392916 203213525 /nfs/dbraw/zinc/21/35/25/203213525.db2.gz VTEXRHLRWGMJFA-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO Cc1ncc(CNC(=O)Cc2ccccc2F)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257253448 244275177 /nfs/dbraw/zinc/27/51/77/244275177.db2.gz JYYXAQRPDBCQCW-KRWDZBQOSA-N 1 0 342.418 2.550 40 0 EFABRO c1csc([C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257253664 244276983 /nfs/dbraw/zinc/27/69/83/244276983.db2.gz JZUDZCIHKSLECP-CQSZACIVSA-N 1 0 329.473 2.913 40 0 EFABRO C[C@]1(COc2ccccc2)C[C@@H]2C[N@H+](Cc3cnccn3)CC[C@@H]2O1 ZINC000257266815 244364523 /nfs/dbraw/zinc/36/45/23/244364523.db2.gz MEQJFUQNJSSGIG-LSTHTHJFSA-N 1 0 339.439 2.925 40 0 EFABRO Cc1cnc(C2(C)CC[NH+](Cc3cnc(N(C)C)nc3)CC2)s1 ZINC000257270274 244374384 /nfs/dbraw/zinc/37/43/84/244374384.db2.gz MTMPCEFBZPXHAN-UHFFFAOYSA-N 1 0 331.489 2.861 40 0 EFABRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257271036 244375873 /nfs/dbraw/zinc/37/58/73/244375873.db2.gz MWOCZAZITIRQHF-INIZCTEOSA-N 1 0 338.459 2.555 40 0 EFABRO CCn1cc(C(=O)N2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)c(C)n1 ZINC000257261428 244349781 /nfs/dbraw/zinc/34/97/81/244349781.db2.gz LHGSKCLELRJZKU-AWEZNQCLSA-N 1 0 327.432 2.586 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)[nH+]1 ZINC000257263940 244354985 /nfs/dbraw/zinc/35/49/85/244354985.db2.gz LSDPQMDGQYEWGS-INIZCTEOSA-N 1 0 331.441 2.566 40 0 EFABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257265336 244358667 /nfs/dbraw/zinc/35/86/67/244358667.db2.gz LYGXNVGGHHZBCC-OAHLLOKOSA-N 1 0 334.427 2.950 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257272298 244381936 /nfs/dbraw/zinc/38/19/36/244381936.db2.gz NBWHRNNFKKMVCB-QGZVFWFLSA-N 1 0 334.427 2.745 40 0 EFABRO CCc1ccc([C@H]2CN(C(=O)c3cccnc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257279284 244401676 /nfs/dbraw/zinc/40/16/76/244401676.db2.gz OFXUCDXSOREFKH-VAMGGRTRSA-N 1 0 335.451 2.862 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257323664 244528238 /nfs/dbraw/zinc/52/82/38/244528238.db2.gz WLHJZBQKJWEKTP-GOSISDBHSA-N 1 0 338.455 2.993 40 0 EFABRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130437523 203553542 /nfs/dbraw/zinc/55/35/42/203553542.db2.gz CTZKCRQVCNOQCE-FUHWJXTLSA-N 1 0 336.501 2.726 40 0 EFABRO c1cncc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106691 203834940 /nfs/dbraw/zinc/83/49/40/203834940.db2.gz JHNMBTWXQRIAHG-LJQANCHMSA-N 1 0 346.471 2.648 40 0 EFABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096046570 203804909 /nfs/dbraw/zinc/80/49/09/203804909.db2.gz MCWPBFXISKRFFS-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO O=C([C@@H]1C[N@H+](Cc2ccsc2)CC12CCOCC2)N1CCCC1 ZINC000096052176 203810048 /nfs/dbraw/zinc/81/00/48/203810048.db2.gz RBCDPEFFEJKYEF-INIZCTEOSA-N 1 0 334.485 2.599 40 0 EFABRO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+](C1CCC1)CC2 ZINC000096217314 203870972 /nfs/dbraw/zinc/87/09/72/203870972.db2.gz FCCZYALUSAWUGZ-QGZVFWFLSA-N 1 0 345.487 2.521 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096224524 203875673 /nfs/dbraw/zinc/87/56/73/203875673.db2.gz FUSXUWQQOPAMDV-FQEVSTJZSA-N 1 0 336.439 2.804 40 0 EFABRO Cc1nnc(N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)s1 ZINC000097953500 203974958 /nfs/dbraw/zinc/97/49/58/203974958.db2.gz XPBVHPVHNIWTPL-IMJJTQAJSA-N 1 0 348.472 2.555 40 0 EFABRO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000042646322 204115325 /nfs/dbraw/zinc/11/53/25/204115325.db2.gz RYNYCSOAIVQMHQ-UHFFFAOYSA-N 1 0 331.460 2.667 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730800 204245345 /nfs/dbraw/zinc/24/53/45/204245345.db2.gz GYXAQIDRUQQLRO-RHSMWYFYSA-N 1 0 330.457 2.774 40 0 EFABRO c1cncc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000107712182 204245749 /nfs/dbraw/zinc/24/57/49/204245749.db2.gz TUKOXHNVZJMZNW-UXHICEINSA-N 1 0 339.439 2.927 40 0 EFABRO O=C(Cc1cccs1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000107709552 204246196 /nfs/dbraw/zinc/24/61/96/204246196.db2.gz RGBWDKHDGVTFEF-IAGOWNOFSA-N 1 0 327.453 2.561 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108525041 204265126 /nfs/dbraw/zinc/26/51/26/204265126.db2.gz ZOHLQZWJORVQGB-UHFFFAOYSA-N 1 0 348.497 2.693 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1F)C2)N1CCOCC1 ZINC000108527998 204265563 /nfs/dbraw/zinc/26/55/63/204265563.db2.gz MHQKNBGFFWMCAK-YLJYHZDGSA-N 1 0 346.446 2.677 40 0 EFABRO COCCN1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3C)CC2)C1=O ZINC000108525171 204266492 /nfs/dbraw/zinc/26/64/92/204266492.db2.gz HRLGFJBIPWBGQQ-HXUWFJFHSA-N 1 0 348.462 2.985 40 0 EFABRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889918 204309497 /nfs/dbraw/zinc/30/94/97/204309497.db2.gz QRHFJKHGFIPJSN-SFHVURJKSA-N 1 0 349.434 2.576 40 0 EFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3ccccc3oc2=O)C1 ZINC000047416397 204338662 /nfs/dbraw/zinc/33/86/62/204338662.db2.gz MKMCLOQIGFZIBT-GJZGRUSLSA-N 1 0 342.439 2.891 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000048303120 204346316 /nfs/dbraw/zinc/34/63/16/204346316.db2.gz SYBFTQSYUZTMNH-FCEWJHQRSA-N 1 0 330.472 2.960 40 0 EFABRO Cc1cc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)s1 ZINC000245860042 205161884 /nfs/dbraw/zinc/16/18/84/205161884.db2.gz IFHOXYBHQNZMTC-SCRDCRAPSA-N 1 0 339.505 2.522 40 0 EFABRO Clc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000006622524 205814434 /nfs/dbraw/zinc/81/44/34/205814434.db2.gz ALCXMDVPYISWGU-UHFFFAOYSA-N 1 0 334.851 2.542 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000155498900 206012350 /nfs/dbraw/zinc/01/23/50/206012350.db2.gz YXHFAUNOLWEAIU-GOSISDBHSA-N 1 0 338.455 2.542 40 0 EFABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091856122 218076759 /nfs/dbraw/zinc/07/67/59/218076759.db2.gz WOEMIQJUIFOVNN-CYBMUJFWSA-N 1 0 347.850 2.628 40 0 EFABRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000010051220 211144238 /nfs/dbraw/zinc/14/42/38/211144238.db2.gz YDPIQYTZCXDZFZ-UHFFFAOYSA-N 1 0 325.412 2.535 40 0 EFABRO CNC(=O)Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000095407872 218343926 /nfs/dbraw/zinc/34/39/26/218343926.db2.gz BLLBVYLAHBQMHP-MRXNPFEDSA-N 1 0 343.471 2.568 40 0 EFABRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000095420720 218361735 /nfs/dbraw/zinc/36/17/35/218361735.db2.gz RWEVSHVYQSEIPQ-CQSZACIVSA-N 1 0 344.480 2.934 40 0 EFABRO COC[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)C1CC1 ZINC000095421425 218363125 /nfs/dbraw/zinc/36/31/25/218363125.db2.gz ZOQUKRSHAIBAAA-GOSISDBHSA-N 1 0 325.412 2.849 40 0 EFABRO Cc1cccc(N2CCN(CC[NH2+][C@@H](C)c3cnccn3)CC2)c1C ZINC000095422173 218364279 /nfs/dbraw/zinc/36/42/79/218364279.db2.gz JXNXUFOSXJGDPL-SFHVURJKSA-N 1 0 339.487 2.566 40 0 EFABRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095422519 218365018 /nfs/dbraw/zinc/36/50/18/218365018.db2.gz UHWLZPFAXRIWMN-JSGCOSHPSA-N 1 0 343.393 2.741 40 0 EFABRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)C3CCOCC3)C2)cc(OC)c1 ZINC000095423680 218365902 /nfs/dbraw/zinc/36/59/02/218365902.db2.gz OBGZEGLFBODIIJ-MAUKXSAKSA-N 1 0 348.487 2.683 40 0 EFABRO Cc1nccn1CCCn1c(=O)oc2cc(Br)ccc21 ZINC000095455426 218398425 /nfs/dbraw/zinc/39/84/25/218398425.db2.gz MSVUVUWYGYRWIO-UHFFFAOYSA-N 1 0 336.189 2.952 40 0 EFABRO O=C(Cc1cccs1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011853303 207005128 /nfs/dbraw/zinc/00/51/28/207005128.db2.gz HFIRDBKMWVTWML-UHFFFAOYSA-N 1 0 343.496 2.619 40 0 EFABRO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)[N@@H+]2Cc2ncc[nH]2)N1 ZINC000257249193 296318146 /nfs/dbraw/zinc/31/81/46/296318146.db2.gz JHFQGWZHQDKINV-FGTMMUONSA-N 1 0 338.455 2.654 40 0 EFABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061403 284873660 /nfs/dbraw/zinc/87/36/60/284873660.db2.gz SBEGMQAREYLXRH-SFHVURJKSA-N 1 0 339.414 2.859 40 0 EFABRO CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000096296026 218740049 /nfs/dbraw/zinc/74/00/49/218740049.db2.gz WJXRFTRCGVIYOI-JENIJYKNSA-N 1 0 330.428 2.791 40 0 biogenic,in-vitro EFABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncncc1Cl ZINC000177656727 207369792 /nfs/dbraw/zinc/36/97/92/207369792.db2.gz ILMMFDIHKIDILD-HNNXBMFYSA-N 1 0 344.846 2.724 40 0 EFABRO Brc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217556899 532958615 /nfs/dbraw/zinc/95/86/15/532958615.db2.gz FEWGSTKAEWMHLW-CYBMUJFWSA-N 1 0 344.216 2.978 40 0 EFABRO O=C1[C@@H]2CCCN2C(=O)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000253419946 284985356 /nfs/dbraw/zinc/98/53/56/284985356.db2.gz APFQYFLJFGNVPF-INIZCTEOSA-N 1 0 347.846 2.731 40 0 EFABRO COCC[NH+]1CCC2(CC1)C[C@@H](NC(=O)C(C)C)c1ccccc1O2 ZINC000096242757 285014154 /nfs/dbraw/zinc/01/41/54/285014154.db2.gz LIBOQYXAXITUGW-QGZVFWFLSA-N 1 0 346.471 2.763 40 0 EFABRO CCN(C[C@H]1CCC[NH2+]1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000091363817 285083520 /nfs/dbraw/zinc/08/35/20/285083520.db2.gz PKRCUOUOLLWUOE-SNVBAGLBSA-N 1 0 337.272 2.756 40 0 EFABRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000096461191 218844259 /nfs/dbraw/zinc/84/42/59/218844259.db2.gz CFEDBTFJOMXERG-VBURHUQHSA-N 1 0 336.501 2.597 40 0 EFABRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478759 218854896 /nfs/dbraw/zinc/85/48/96/218854896.db2.gz MRWPCYJNPIGPPW-YVEFUNNKSA-N 1 0 339.447 2.815 40 0 EFABRO CC[C@H](C[NH2+]C1CCN(C(=O)N(C)C)CC1)Oc1ccccc1C ZINC000096490774 218868143 /nfs/dbraw/zinc/86/81/43/218868143.db2.gz XVBYHBDXSAVJKL-QGZVFWFLSA-N 1 0 333.476 2.888 40 0 EFABRO COC(=O)c1cc(C[NH2+][C@H]2CCCN(c3ccccn3)C2)oc1C ZINC000096493800 218871853 /nfs/dbraw/zinc/87/18/53/218871853.db2.gz BTLWNPKBZOQWAV-AWEZNQCLSA-N 1 0 329.400 2.528 40 0 EFABRO COc1cc(Br)ccc1C[NH2+]CC1(OC)CCOCC1 ZINC000096500761 218876262 /nfs/dbraw/zinc/87/62/62/218876262.db2.gz RVIMVUCSGASNER-UHFFFAOYSA-N 1 0 344.249 2.743 40 0 EFABRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)c1 ZINC000097231133 219000442 /nfs/dbraw/zinc/00/04/42/219000442.db2.gz RHDCISFVBFCTAV-ZDUSSCGKSA-N 1 0 336.432 2.627 40 0 EFABRO OC1(C[NH+]2CCC3(CCO[C@@H]3Cc3cncnc3)CC2)CCCCC1 ZINC000257263407 285236109 /nfs/dbraw/zinc/23/61/09/285236109.db2.gz LPUMAZHCXYIGDK-GOSISDBHSA-N 1 0 345.487 2.585 40 0 EFABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2ccccc2)CC1 ZINC000019499711 285336699 /nfs/dbraw/zinc/33/66/99/285336699.db2.gz CYCXEIJRNLUMQO-KRWDZBQOSA-N 1 0 342.491 2.545 40 0 EFABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 ZINC000242648559 257683990 /nfs/dbraw/zinc/68/39/90/257683990.db2.gz RABICIOCUMYJPX-OAGGEKHMSA-N 1 0 339.819 2.994 40 0 EFABRO Cc1nc(-c2noc3ccccc32)sc1C(=O)NCC[NH+](C)C ZINC000206336887 258003776 /nfs/dbraw/zinc/00/37/76/258003776.db2.gz JLOYXABXNJCBJF-UHFFFAOYSA-N 1 0 330.413 2.551 40 0 EFABRO COC(=O)C1CCC([NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000192446219 533282412 /nfs/dbraw/zinc/28/24/12/533282412.db2.gz BULWSZYJWYPYPC-ZBCRRDGASA-N 1 0 348.418 2.643 40 0 EFABRO COC(=O)CC1(CC(=O)N2CCC([NH+]3CCCC3)CC2)CCCC1 ZINC000189139263 533299101 /nfs/dbraw/zinc/29/91/01/533299101.db2.gz BBHSOBNCBRPRCL-UHFFFAOYSA-N 1 0 336.476 2.587 40 0 EFABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000225436779 292019828 /nfs/dbraw/zinc/01/98/28/292019828.db2.gz SXKSSHWVZRQGQQ-UHFFFAOYSA-N 1 0 349.500 2.882 40 0 EFABRO Cc1cc(N2CCC(CNC(=O)COc3ccccc3)CC2)cc[nH+]1 ZINC000253405513 135622449 /nfs/dbraw/zinc/62/24/49/135622449.db2.gz SNSBZMLHGWRGJO-UHFFFAOYSA-N 1 0 339.439 2.802 40 0 EFABRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000120799651 221677844 /nfs/dbraw/zinc/67/78/44/221677844.db2.gz AYHYQQYBMHJSJT-ZDUSSCGKSA-N 1 0 348.422 2.658 40 0 EFABRO CCc1ncnc(N(C)C2CC[NH+](CCc3ccncc3)CC2)c1F ZINC000096489001 544559438 /nfs/dbraw/zinc/55/94/38/544559438.db2.gz ZFOJCQFSBKXAPW-UHFFFAOYSA-N 1 0 343.450 2.716 40 0 EFABRO COc1cccc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)c1 ZINC000012183480 274145255 /nfs/dbraw/zinc/14/52/55/274145255.db2.gz UCTWGSWNZHEVJN-UHFFFAOYSA-N 1 0 338.407 2.810 40 0 EFABRO COc1ncccc1C[N@@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159540 274170372 /nfs/dbraw/zinc/17/03/72/274170372.db2.gz NKRCUQZKMWFTOO-SFHVURJKSA-N 1 0 343.452 2.781 40 0 EFABRO C[C@@H](CCNC(=O)N1CCOCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000096490531 274209940 /nfs/dbraw/zinc/20/99/40/274209940.db2.gz KTNMVUBAXXZAAG-DLBZAZTESA-N 1 0 333.476 2.717 40 0 EFABRO O=C(c1ccco1)N1CCCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096049339 275014294 /nfs/dbraw/zinc/01/42/94/275014294.db2.gz WFEDKQQSQNXGFJ-UHFFFAOYSA-N 1 0 332.444 2.777 40 0 EFABRO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](CC1CCCCC1)CC2 ZINC000019403137 275042303 /nfs/dbraw/zinc/04/23/03/275042303.db2.gz IGGQTFRZEYYZOW-UHFFFAOYSA-N 1 0 338.455 2.813 40 0 EFABRO c1coc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229314 275074535 /nfs/dbraw/zinc/07/45/35/275074535.db2.gz BIHSHVPOSCPDEF-FQEVSTJZSA-N 1 0 341.455 2.789 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccno1)c1ccccc1O2 ZINC000096079766 276152406 /nfs/dbraw/zinc/15/24/06/276152406.db2.gz AAGHNTDLAMPKGU-HNNXBMFYSA-N 1 0 341.411 2.783 40 0 EFABRO CCN1CC[C@]2(C[N@H+](Cc3nccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201871 276236300 /nfs/dbraw/zinc/23/63/00/276236300.db2.gz MIMSUVCWRWOXRU-QFBILLFUSA-N 1 0 341.480 2.981 40 0 EFABRO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@H+](Cc3ccoc3)CC[C@H]2C1=O ZINC000096043537 277192390 /nfs/dbraw/zinc/19/23/90/277192390.db2.gz LFLFPUZIGYORTH-IPMKNSEASA-N 1 0 346.471 2.623 40 0 EFABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000022927599 277204385 /nfs/dbraw/zinc/20/43/85/277204385.db2.gz UPAMDOYRFUOKHL-WFASDCNBSA-N 1 0 339.867 2.939 40 0 EFABRO CNC(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053290 277233841 /nfs/dbraw/zinc/23/38/41/277233841.db2.gz HXUIQKUFWQKUEW-INIZCTEOSA-N 1 0 328.456 2.933 40 0 EFABRO CNC(=O)[C@@]1(CCCc2ccncc2)CCC[N@@H+]1Cc1ccccn1 ZINC000072367252 277247608 /nfs/dbraw/zinc/24/76/08/277247608.db2.gz ZNLBHXIBBRQIAV-HXUWFJFHSA-N 1 0 338.455 2.580 40 0 EFABRO CO[C@@H](C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489977 277278448 /nfs/dbraw/zinc/27/84/48/277278448.db2.gz KGPAQTQHSRUBCN-KSSFIOAISA-N 1 0 348.468 2.715 40 0 EFABRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c(Br)c1 ZINC000096493408 277924664 /nfs/dbraw/zinc/92/46/64/277924664.db2.gz GVQQEFUAAJUAFF-GHMZBOCLSA-N 1 0 341.249 2.729 40 0 EFABRO COc1cccc(C[N@@H+]2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)c1 ZINC000225494354 278011006 /nfs/dbraw/zinc/01/10/06/278011006.db2.gz UMWRALQJKVFGCL-SFHVURJKSA-N 1 0 341.455 2.602 40 0 biogenic,in-vitro EFABRO COc1cccc(C[NH2+]C[C@H]2COCc3nc4cc(C)ccc4n32)n1 ZINC000096112818 278012446 /nfs/dbraw/zinc/01/24/46/278012446.db2.gz JZVRWEJWKHCVBH-HNNXBMFYSA-N 1 0 338.411 2.609 40 0 biogenic,in-vitro EFABRO CC[NH+]1CCN(CCC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000096427143 279354617 /nfs/dbraw/zinc/35/46/17/279354617.db2.gz IQMQUXRRXOBYKJ-LJQANCHMSA-N 1 0 344.503 2.553 40 0 EFABRO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)n1 ZINC000257282644 280278741 /nfs/dbraw/zinc/27/87/41/280278741.db2.gz OUPZMXZHERBBSX-KRWDZBQOSA-N 1 0 340.475 2.715 40 0 EFABRO Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108529299 281342956 /nfs/dbraw/zinc/34/29/56/281342956.db2.gz GNEWESFWWBBJDI-SFTDATJTSA-N 1 0 337.467 2.865 40 0 EFABRO Cc1ccccc1[C@@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000012630172 281377125 /nfs/dbraw/zinc/37/71/25/281377125.db2.gz OIULJUTVYITUCO-QGZVFWFLSA-N 1 0 349.394 2.602 40 0 EFABRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000073131175 289054759 /nfs/dbraw/zinc/05/47/59/289054759.db2.gz LASYEKLGEJDPNJ-HZPDHXFCSA-N 1 0 336.863 2.671 40 0 EFABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 ZINC000257308005 289224737 /nfs/dbraw/zinc/22/47/37/289224737.db2.gz TVBPNUSEZVNXRQ-GOSISDBHSA-N 1 0 345.487 2.892 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096200992 289316154 /nfs/dbraw/zinc/31/61/54/289316154.db2.gz WTCULPTXFVXTRN-MSOLQXFVSA-N 1 0 327.403 2.608 40 0 EFABRO COc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218110528 295232449 /nfs/dbraw/zinc/23/24/49/295232449.db2.gz YDPRFBSUSXTTCJ-KSZLIROESA-N 1 0 331.437 2.518 40 0 EFABRO Cn1cc([C@H]2C[C@H]2C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000096416796 302938811 /nfs/dbraw/zinc/93/88/11/302938811.db2.gz FBQPFBLCORLHIN-RTBURBONSA-N 1 0 338.455 2.653 40 0 EFABRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000329876451 311296045 /nfs/dbraw/zinc/29/60/45/311296045.db2.gz IALZZPHNXWBICJ-MRXNPFEDSA-N 1 0 332.492 2.845 40 0 EFABRO C[C@@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c2c(O)cccc21 ZINC000333254868 311590386 /nfs/dbraw/zinc/59/03/86/311590386.db2.gz HQGHQAZOOCOVDP-UKRRQHHQSA-N 1 0 340.427 2.667 40 0 EFABRO [NH3+][C@H]1CCc2ncc(NC(=O)NC[C@H]3CCCCC3(F)F)cc2C1 ZINC000333387051 311607831 /nfs/dbraw/zinc/60/78/31/311607831.db2.gz WWWZRRSJZXWMRB-OLZOCXBDSA-N 1 0 338.402 2.845 40 0 EFABRO O=C(NCc1nnc(C2CC2)s1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000333944125 311678036 /nfs/dbraw/zinc/67/80/36/311678036.db2.gz RQBRJQRNGSKEPC-AWEZNQCLSA-N 1 0 349.504 2.575 40 0 EFABRO O=C(NCc1nnc(C2CC2)s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000333944126 311678223 /nfs/dbraw/zinc/67/82/23/311678223.db2.gz RQBRJQRNGSKEPC-CQSZACIVSA-N 1 0 349.504 2.575 40 0 EFABRO Cc1cccc([C@H](NC(=O)N2CCC[N@@H+](C)CC2)C(F)(F)F)c1 ZINC000097100124 323213364 /nfs/dbraw/zinc/21/33/64/323213364.db2.gz PKQGBSBZWKRCCG-AWEZNQCLSA-N 1 0 329.366 2.946 40 0 EFABRO Cc1cccc([C@@H](NC(=O)N2CCC[N@@H+](C)CC2)C(F)(F)F)c1 ZINC000097100125 323213457 /nfs/dbraw/zinc/21/34/57/323213457.db2.gz PKQGBSBZWKRCCG-CQSZACIVSA-N 1 0 329.366 2.946 40 0 EFABRO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)C(=O)N1CCCC[C@H]1C ZINC000097236325 323214426 /nfs/dbraw/zinc/21/44/26/323214426.db2.gz FUAXXSRIZVDXPN-KGLIPLIRSA-N 1 0 349.441 2.782 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC000097378548 323214626 /nfs/dbraw/zinc/21/46/26/323214626.db2.gz WICHRNNXTMPHDM-FUHWJXTLSA-N 1 0 349.450 2.644 40 0 EFABRO Cc1c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cccc1N(C)C ZINC000102317116 323215066 /nfs/dbraw/zinc/21/50/66/323215066.db2.gz SPZAKIVGEHBEBU-UHFFFAOYSA-N 1 0 328.460 2.929 40 0 EFABRO CNC(=O)Cc1nc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cs1 ZINC000133470506 323219520 /nfs/dbraw/zinc/21/95/20/323219520.db2.gz XOZVDVREVKNUHQ-CVEARBPZSA-N 1 0 329.469 2.858 40 0 EFABRO CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000156007134 323221417 /nfs/dbraw/zinc/22/14/17/323221417.db2.gz XZIIWDPRQDSMFB-LBPRGKRZSA-N 1 0 339.308 2.771 40 0 EFABRO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc(Cl)c1F ZINC000161559165 323222556 /nfs/dbraw/zinc/22/25/56/323222556.db2.gz SNSDNTSHTHRHRE-OAHLLOKOSA-N 1 0 341.858 2.730 40 0 EFABRO NC(=O)C[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181940362 323256542 /nfs/dbraw/zinc/25/65/42/323256542.db2.gz QQLFAIOHXZNEPT-ZDUSSCGKSA-N 1 0 339.277 2.969 40 0 EFABRO C[C@H]1C[NH+](CCCCNC(=O)N(C)c2ccc(F)cc2)C[C@H](C)O1 ZINC000190775991 323462300 /nfs/dbraw/zinc/46/23/00/323462300.db2.gz WOVYAIWTKCATRS-GJZGRUSLSA-N 1 0 337.439 2.861 40 0 EFABRO FC(F)(F)CCN1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000195556396 323529166 /nfs/dbraw/zinc/52/91/66/323529166.db2.gz YZBZPKAZRCMCBC-CQSZACIVSA-N 1 0 344.377 2.833 40 0 EFABRO Fc1ccc(Br)c(C[NH2+]CCc2nncn2C2CC2)c1 ZINC000090186583 472608033 /nfs/dbraw/zinc/60/80/33/472608033.db2.gz DRAMAKFYPSZRRA-UHFFFAOYSA-N 1 0 339.212 2.847 40 0 EFABRO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2[C@H](c3ccccc3)C[NH2+][C@@H]2C1 ZINC000095951365 473228023 /nfs/dbraw/zinc/22/80/23/473228023.db2.gz KXOLUHUGZLWYPO-UXLLHSPISA-N 1 0 330.428 2.568 40 0 EFABRO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)cc1F ZINC000096038560 473258477 /nfs/dbraw/zinc/25/84/77/473258477.db2.gz ZFNPKJYWXDCWQL-RBUKOAKNSA-N 1 0 346.446 2.850 40 0 EFABRO O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096038796 473258514 /nfs/dbraw/zinc/25/85/14/473258514.db2.gz GLQPAMCXSVUHBA-SJLPKXTDSA-N 1 0 346.452 2.639 40 0 EFABRO COC[C@]12CCCO[C@H]1CC[N@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039151 473259943 /nfs/dbraw/zinc/25/99/43/473259943.db2.gz LVPJSJSMPHZSRT-VQTJNVASSA-N 1 0 349.471 2.764 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)O1 ZINC000096040897 473261920 /nfs/dbraw/zinc/26/19/20/473261920.db2.gz BOILGZOGLUJDIU-ZACQAIPSSA-N 1 0 334.485 2.786 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040443 473262134 /nfs/dbraw/zinc/26/21/34/473262134.db2.gz CAKIHSVVOFRMSV-PKOBYXMFSA-N 1 0 332.444 2.511 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042445 473263839 /nfs/dbraw/zinc/26/38/39/473263839.db2.gz OXOGDDNTBGRWRG-INMHGKMJSA-N 1 0 331.441 2.657 40 0 EFABRO c1cnn(CCCO[C@@H]2C[N@H+](Cc3ccsc3)[C@@H]3CCCO[C@H]23)c1 ZINC000096042565 473264467 /nfs/dbraw/zinc/26/44/67/473264467.db2.gz HDXBUSZDJVJVPB-KURKYZTESA-N 1 0 347.484 2.783 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CC[N@H+](CC3CC3)C[C@@H]21 ZINC000096043491 473265259 /nfs/dbraw/zinc/26/52/59/473265259.db2.gz CKNCKMYWNFJYAA-BRWVUGGUSA-N 1 0 334.485 2.501 40 0 EFABRO O=C(c1ccoc1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046515 473266731 /nfs/dbraw/zinc/26/67/31/473266731.db2.gz OKFSCTRFLLTKFM-UHFFFAOYSA-N 1 0 325.412 2.803 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cn1 ZINC000096046996 473268222 /nfs/dbraw/zinc/26/82/22/473268222.db2.gz FNLKNYKIXFRNRR-GOSISDBHSA-N 1 0 344.484 2.610 40 0 EFABRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096047423 473268710 /nfs/dbraw/zinc/26/87/10/473268710.db2.gz PMQWFVXLGHYRPF-QGZVFWFLSA-N 1 0 340.464 2.606 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096047052 473268730 /nfs/dbraw/zinc/26/87/30/473268730.db2.gz SUZAUJYHXFGXDB-FQEVSTJZSA-N 1 0 336.439 2.605 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096047031 473269612 /nfs/dbraw/zinc/26/96/12/473269612.db2.gz UVRHSCORVZRIGU-LJQANCHMSA-N 1 0 325.412 2.803 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269633 /nfs/dbraw/zinc/26/96/33/473269633.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 1 0 328.460 2.810 40 0 EFABRO c1cncc(O[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096048284 473270716 /nfs/dbraw/zinc/27/07/16/473270716.db2.gz HQMFHDUGDMPZQL-MOPGFXCFSA-N 1 0 332.444 2.511 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000096048504 473271835 /nfs/dbraw/zinc/27/18/35/473271835.db2.gz QGHHWOWFABPJQQ-YJBOKZPZSA-N 1 0 346.406 2.753 40 0 EFABRO O=C(C[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2)N1CCCC1 ZINC000096048168 473271934 /nfs/dbraw/zinc/27/19/34/473271934.db2.gz BKCFUPFGAKZERU-INIZCTEOSA-N 1 0 332.444 2.663 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048337 473272062 /nfs/dbraw/zinc/27/20/62/473272062.db2.gz YCWLQZVJFMNDNN-DOTOQJQBSA-N 1 0 330.457 2.774 40 0 EFABRO c1cc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)co1 ZINC000096048931 473272214 /nfs/dbraw/zinc/27/22/14/473272214.db2.gz AOLPBHSTGXVGNQ-UHFFFAOYSA-N 1 0 327.428 2.542 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048351 473272259 /nfs/dbraw/zinc/27/22/59/473272259.db2.gz IYOXGKSTFBAMBO-PKOBYXMFSA-N 1 0 342.418 2.851 40 0 EFABRO c1cncc(O[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096048262 473272483 /nfs/dbraw/zinc/27/24/83/473272483.db2.gz FPHUCWOELQBEQG-RTBURBONSA-N 1 0 325.412 2.679 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048350 473272568 /nfs/dbraw/zinc/27/25/68/473272568.db2.gz IYOXGKSTFBAMBO-IEBWSBKVSA-N 1 0 342.418 2.851 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccccn3)CC2)N1Cc1ccncc1 ZINC000096049396 473273006 /nfs/dbraw/zinc/27/30/06/473273006.db2.gz HJEQQRNKBVGLHD-UHFFFAOYSA-N 1 0 336.439 2.634 40 0 EFABRO O=C1COC2(CC[NH+](Cc3ccoc3)CC2)CN1c1ccsc1 ZINC000096049246 473273244 /nfs/dbraw/zinc/27/32/44/473273244.db2.gz UFHCGGCFMHOTJF-UHFFFAOYSA-N 1 0 332.425 2.739 40 0 EFABRO COc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050650 473273651 /nfs/dbraw/zinc/27/36/51/473273651.db2.gz YMMHPAJFEYUELG-HXUWFJFHSA-N 1 0 340.423 2.913 40 0 EFABRO CC(C)CN1CCN(C)C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096050053 473274135 /nfs/dbraw/zinc/27/41/35/473274135.db2.gz JPRRIKLLKMLWPJ-UHFFFAOYSA-N 1 0 347.478 2.590 40 0 EFABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096051610 473276077 /nfs/dbraw/zinc/27/60/77/473276077.db2.gz BATKMDFKMSCNAP-GOSISDBHSA-N 1 0 346.471 2.909 40 0 EFABRO O=C(NCC1CC1)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052136 473276290 /nfs/dbraw/zinc/27/62/90/473276290.db2.gz LKXKMDISYSVDPV-SFHVURJKSA-N 1 0 346.446 2.581 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)o1 ZINC000096050947 473276369 /nfs/dbraw/zinc/27/63/69/473276369.db2.gz FSWFVKBKQBPBDO-LJQANCHMSA-N 1 0 343.427 2.817 40 0 EFABRO Cc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)s1 ZINC000096053933 473276701 /nfs/dbraw/zinc/27/67/01/473276701.db2.gz GEXLIMJDIPTMLO-CHWSQXEVSA-N 1 0 333.482 2.717 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051166 473276764 /nfs/dbraw/zinc/27/67/64/473276764.db2.gz IWZZAPXPOKORIP-MRXNPFEDSA-N 1 0 334.370 2.807 40 0 EFABRO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cccs4)CC[N@@H+]3C2)n1 ZINC000096055067 473278248 /nfs/dbraw/zinc/27/82/48/473278248.db2.gz ALPOSNWRPHAPTP-MSOLQXFVSA-N 1 0 343.496 2.927 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055024 473279468 /nfs/dbraw/zinc/27/94/68/473279468.db2.gz QAOGTQNLVVYECZ-SJORKVTESA-N 1 0 329.469 2.618 40 0 EFABRO CN(C)C(=O)[C@H]1OC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096058363 473283239 /nfs/dbraw/zinc/28/32/39/473283239.db2.gz HHIFFMYLXIQVIC-SFHVURJKSA-N 1 0 340.423 2.930 40 0 EFABRO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000096059952 473283695 /nfs/dbraw/zinc/28/36/95/473283695.db2.gz IPTGXWSECPHGNP-SFHVURJKSA-N 1 0 333.476 2.655 40 0 EFABRO Fc1ccc(C[N@@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)cc1 ZINC000096058646 473283959 /nfs/dbraw/zinc/28/39/59/473283959.db2.gz VVCAVEACOUPCTC-HNNXBMFYSA-N 1 0 327.403 2.720 40 0 EFABRO O=C([C@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096061236 473284816 /nfs/dbraw/zinc/28/48/16/473284816.db2.gz PTGLLGMSJUYPQV-GOSISDBHSA-N 1 0 346.446 2.962 40 0 EFABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061380 473285073 /nfs/dbraw/zinc/28/50/73/473285073.db2.gz HJQQJGSWESQCIZ-SFHVURJKSA-N 1 0 339.414 2.859 40 0 EFABRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](CC3CCOCC3)CC2)N1 ZINC000096061427 473285876 /nfs/dbraw/zinc/28/58/76/473285876.db2.gz JPFBIHTXYXYKCN-GOSISDBHSA-N 1 0 328.456 2.551 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)o1 ZINC000096061170 473285947 /nfs/dbraw/zinc/28/59/47/473285947.db2.gz QZBKWBQECLWIRD-QGZVFWFLSA-N 1 0 332.444 2.628 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccco2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061274 473286093 /nfs/dbraw/zinc/28/60/93/473286093.db2.gz BPZPTDPECSBJIN-POZUXBRTSA-N 1 0 332.444 2.565 40 0 EFABRO O=C1C[C@H](c2ccncc2)C2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096061543 473286241 /nfs/dbraw/zinc/28/62/41/473286241.db2.gz QRVFLJFDEZSOIU-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO O=C(NCc1cccs1)[C@H]1CO[C@H]2CC[N@@H+](C3CCC3)C[C@H]2C1 ZINC000096066029 473287042 /nfs/dbraw/zinc/28/70/42/473287042.db2.gz TWBCBKXXMBIQAV-CPUCHLNUSA-N 1 0 334.485 2.644 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)n1 ZINC000096064041 473287167 /nfs/dbraw/zinc/28/71/67/473287167.db2.gz UUVQAWAWYZTDTD-ZWKOTPCHSA-N 1 0 328.460 2.691 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)o1 ZINC000096069569 473288511 /nfs/dbraw/zinc/28/85/11/473288511.db2.gz JGYWKVVJVAFMQJ-SFHVURJKSA-N 1 0 339.439 2.875 40 0 EFABRO Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072578 473289066 /nfs/dbraw/zinc/28/90/66/473289066.db2.gz VMVOBMKRPPIXAG-IEBWSBKVSA-N 1 0 326.444 2.574 40 0 EFABRO Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072581 473289527 /nfs/dbraw/zinc/28/95/27/473289527.db2.gz VMVOBMKRPPIXAG-HKUYNNGSSA-N 1 0 326.444 2.574 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cncc(C)c1)CC2 ZINC000096078388 473290813 /nfs/dbraw/zinc/29/08/13/473290813.db2.gz OHQKYOAEMBPNQH-GOSISDBHSA-N 1 0 345.487 2.742 40 0 EFABRO CC(=O)N1CCC2(CC1)C[C@@H]([NH2+]C1CCOCC1)c1ccccc1O2 ZINC000096079711 473291251 /nfs/dbraw/zinc/29/12/51/473291251.db2.gz XGBXHXOPRBLTMV-GOSISDBHSA-N 1 0 344.455 2.660 40 0 EFABRO O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096081021 473292800 /nfs/dbraw/zinc/29/28/00/473292800.db2.gz LTSLDESIHMXOAN-CALCHBBNSA-N 1 0 341.842 2.939 40 0 EFABRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H](OCc4cccnc4)[C@@H]3C2)cn1 ZINC000096081862 473292846 /nfs/dbraw/zinc/29/28/46/473292846.db2.gz YVMMARZUXDINIP-IPMKNSEASA-N 1 0 326.444 2.632 40 0 EFABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1C ZINC000096087538 473293175 /nfs/dbraw/zinc/29/31/75/473293175.db2.gz VIUYWDLJPQKVSA-UWWQBHOKSA-N 1 0 331.847 2.811 40 0 EFABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1=O ZINC000096100300 473296092 /nfs/dbraw/zinc/29/60/92/473296092.db2.gz UTASYXCXAYHDPO-HXUWFJFHSA-N 1 0 338.455 2.566 40 0 EFABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccn3)C[C@@H]12 ZINC000096100392 473296548 /nfs/dbraw/zinc/29/65/48/473296548.db2.gz DPDSYFWIKNYOCV-RTWAWAEBSA-N 1 0 335.451 2.846 40 0 EFABRO Fc1cccnc1O[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096107032 473299930 /nfs/dbraw/zinc/29/99/30/473299930.db2.gz QEGHARXBGRBITA-INIZCTEOSA-N 1 0 343.402 2.818 40 0 EFABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)nc1 ZINC000096106923 473298697 /nfs/dbraw/zinc/29/86/97/473298697.db2.gz SFJBETRXUYRXIN-IBGZPJMESA-N 1 0 346.471 2.648 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)o1 ZINC000096107140 473299601 /nfs/dbraw/zinc/29/96/01/473299601.db2.gz NJLMCNDQXYDFAQ-SJORKVTESA-N 1 0 346.452 2.903 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107351 473300330 /nfs/dbraw/zinc/30/03/30/473300330.db2.gz BVHCOLONSPYTNS-APWZRJJASA-N 1 0 343.427 2.889 40 0 EFABRO COc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1 ZINC000096108845 473301317 /nfs/dbraw/zinc/30/13/17/473301317.db2.gz IDXZAQVTCRLXIL-XLIONFOSSA-N 1 0 340.423 2.618 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108892 473301493 /nfs/dbraw/zinc/30/14/93/473301493.db2.gz RGPUGFSNRCZTMC-SJLPKXTDSA-N 1 0 345.468 2.512 40 0 EFABRO Cc1cccnc1C[NH2+]C[C@H]1COCc2nc3cc(F)ccc3n21 ZINC000096112737 473304980 /nfs/dbraw/zinc/30/49/80/473304980.db2.gz GFLSYQPPICOODZ-AWEZNQCLSA-N 1 0 326.375 2.740 40 0 biogenic,in-vitro EFABRO CO[C@@H]1CCN(Cc2ccsc2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108588 473302132 /nfs/dbraw/zinc/30/21/32/473302132.db2.gz FCVPLHBAZSKJQU-IPMKNSEASA-N 1 0 343.496 2.864 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N(C)C)C2)s1 ZINC000096109163 473302518 /nfs/dbraw/zinc/30/25/18/473302518.db2.gz RRNZUGCVLVUPEW-QAPCUYQASA-N 1 0 336.501 2.763 40 0 EFABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccccn2)C3)cs1 ZINC000096108909 473302611 /nfs/dbraw/zinc/30/26/11/473302611.db2.gz GZHGWEHNLFXNMG-QAPCUYQASA-N 1 0 345.468 2.512 40 0 EFABRO c1ccc(CC[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cc1 ZINC000096108889 473302662 /nfs/dbraw/zinc/30/26/62/473302662.db2.gz HREMSENBMGGXQT-NHCUHLMSSA-N 1 0 338.451 2.789 40 0 EFABRO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000096109171 473302699 /nfs/dbraw/zinc/30/26/99/473302699.db2.gz HOQGDMXLUHNUBQ-APWZRJJASA-N 1 0 334.435 2.533 40 0 EFABRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccs2)cs1 ZINC000096110711 473303622 /nfs/dbraw/zinc/30/36/22/473303622.db2.gz UAHFSJQIXZPRBY-LSDHHAIUSA-N 1 0 333.482 2.888 40 0 EFABRO Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096111004 473303690 /nfs/dbraw/zinc/30/36/90/473303690.db2.gz ITPMINVWGQKTKE-NHCUHLMSSA-N 1 0 345.483 2.887 40 0 EFABRO Cc1csc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)n1 ZINC000096111128 473303722 /nfs/dbraw/zinc/30/37/22/473303722.db2.gz RRPSRBBWECISJA-OAHLLOKOSA-N 1 0 349.500 2.588 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096110004 473303779 /nfs/dbraw/zinc/30/37/79/473303779.db2.gz NIVXYBIZPXTUOS-INIZCTEOSA-N 1 0 334.485 2.788 40 0 EFABRO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000096110440 473304186 /nfs/dbraw/zinc/30/41/86/473304186.db2.gz OMFAUVINGHCEKU-MJGOQNOKSA-N 1 0 343.402 2.676 40 0 EFABRO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)nc2c1 ZINC000096112313 473305409 /nfs/dbraw/zinc/30/54/09/473305409.db2.gz DIDYXFDRJGDCHH-PBHICJAKSA-N 1 0 333.407 2.589 40 0 biogenic,in-vitro EFABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccncc2F)COC1 ZINC000096112735 473305890 /nfs/dbraw/zinc/30/58/90/473305890.db2.gz GCCJCFHRDNZIOL-ZDUSSCGKSA-N 1 0 330.338 2.571 40 0 biogenic,in-vitro EFABRO CCN(CC)c1ccc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cn21 ZINC000096146199 473312299 /nfs/dbraw/zinc/31/22/99/473312299.db2.gz LIRMIJUIAXEMBU-QGZVFWFLSA-N 1 0 328.460 2.562 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)s1 ZINC000096160334 473319958 /nfs/dbraw/zinc/31/99/58/473319958.db2.gz FXMNTOFPJLRWJJ-AEFFLSMTSA-N 1 0 347.484 2.703 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159511 473320070 /nfs/dbraw/zinc/32/00/70/473320070.db2.gz UHSKLEZLIZCBET-HXUWFJFHSA-N 1 0 337.423 2.719 40 0 EFABRO COc1cccc(C[N@@H+]2CCC3(C2)CCN(c2ncccn2)CC3)c1 ZINC000096157460 473316249 /nfs/dbraw/zinc/31/62/49/473316249.db2.gz PCCFUHIEUTZRLD-UHFFFAOYSA-N 1 0 338.455 2.978 40 0 EFABRO CCOCC(=O)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157595 473316350 /nfs/dbraw/zinc/31/63/50/473316350.db2.gz RCTOYPIGFULZLL-UHFFFAOYSA-N 1 0 334.435 2.677 40 0 EFABRO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 ZINC000096161821 473320293 /nfs/dbraw/zinc/32/02/93/473320293.db2.gz GNXOOZFOZQFKHV-OKILXGFUSA-N 1 0 331.441 2.557 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2ncccn2)CCO3)cc1 ZINC000096159022 473318347 /nfs/dbraw/zinc/31/83/47/473318347.db2.gz KLYXYQSTGLPAHM-UHFFFAOYSA-N 1 0 338.455 2.656 40 0 EFABRO Fc1cnc(N2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC000096158305 473318716 /nfs/dbraw/zinc/31/87/16/473318716.db2.gz XFCAVVSOSQIWBB-GOSISDBHSA-N 1 0 327.407 2.503 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC000096158816 473318830 /nfs/dbraw/zinc/31/88/30/473318830.db2.gz QHPHSHFOMVELCF-UHFFFAOYSA-N 1 0 345.443 2.751 40 0 EFABRO Fc1cnc(N2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158308 473318959 /nfs/dbraw/zinc/31/89/59/473318959.db2.gz WNKXQMLUKLXBNG-SFHVURJKSA-N 1 0 327.407 2.503 40 0 EFABRO O=C(c1ccc(F)cc1)N1CCC2(CC([NH+]3CCOCC3)C2)CC1 ZINC000096159241 473320588 /nfs/dbraw/zinc/32/05/88/473320588.db2.gz LFICPZKLLMVWOI-UHFFFAOYSA-N 1 0 332.419 2.543 40 0 EFABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]21)c1ccsc1 ZINC000096185477 473325864 /nfs/dbraw/zinc/32/58/64/473325864.db2.gz KSJDXKJSYIMQTE-BHYGNILZSA-N 1 0 346.452 2.608 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC000096186117 473326167 /nfs/dbraw/zinc/32/61/67/473326167.db2.gz HCHNYUHCVNVWSH-UFYCRDLUSA-N 1 0 339.439 2.986 40 0 EFABRO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)c1 ZINC000096184641 473326764 /nfs/dbraw/zinc/32/67/64/473326764.db2.gz HYAGSNJINORQGN-MSOLQXFVSA-N 1 0 337.423 2.659 40 0 EFABRO C[N@@H+](Cc1ccco1)C[C@@H]1OC[C@H]2CN(C(=O)C3CC=CC3)CC[C@@H]12 ZINC000096185359 473327286 /nfs/dbraw/zinc/32/72/86/473327286.db2.gz JGYKULYOIBMBIA-QRQLOZEOSA-N 1 0 344.455 2.541 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNc3ncccn3)C2)o1 ZINC000096187337 473328422 /nfs/dbraw/zinc/32/84/22/473328422.db2.gz AEAJXQBTAKTXSR-ZTFGCOKTSA-N 1 0 342.443 2.581 40 0 EFABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccoc2)n1 ZINC000096186525 473328757 /nfs/dbraw/zinc/32/87/57/473328757.db2.gz CCVZKBHYDLKFOF-QZTJIDSGSA-N 1 0 325.412 2.749 40 0 EFABRO O=C(c1ccccc1)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096196894 473333164 /nfs/dbraw/zinc/33/31/64/473333164.db2.gz STOIAAJKPMHDRB-UHFFFAOYSA-N 1 0 338.455 2.568 40 0 EFABRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200137 473335161 /nfs/dbraw/zinc/33/51/61/473335161.db2.gz ZRXBVOQJQVRTPQ-DLBZAZTESA-N 1 0 326.396 2.642 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)o1 ZINC000096199907 473335617 /nfs/dbraw/zinc/33/56/17/473335617.db2.gz ZACLRKOKROXAJD-SFHVURJKSA-N 1 0 339.439 2.875 40 0 EFABRO COCCO[C@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096200504 473336073 /nfs/dbraw/zinc/33/60/73/473336073.db2.gz GCAWPFMUUQEESH-ROUUACIJSA-N 1 0 332.469 2.992 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)o1 ZINC000096199908 473336349 /nfs/dbraw/zinc/33/63/49/473336349.db2.gz ZACLRKOKROXAJD-GOSISDBHSA-N 1 0 339.439 2.875 40 0 EFABRO O=C1COC2(CC[NH+](Cc3ccsc3)CC2)CN1c1cccnc1 ZINC000096201435 473337555 /nfs/dbraw/zinc/33/75/55/473337555.db2.gz CIEXMINRLXKVPD-UHFFFAOYSA-N 1 0 343.452 2.541 40 0 EFABRO CCOc1cccc(C(=O)N2CCC3(CC[C@H](COC)[N@@H+]3C)CC2)c1 ZINC000096208028 473343164 /nfs/dbraw/zinc/34/31/64/473343164.db2.gz XKHOEWMIQGTPAP-QGZVFWFLSA-N 1 0 346.471 2.801 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21)Nc1cccnc1 ZINC000096207439 473343369 /nfs/dbraw/zinc/34/33/69/473343369.db2.gz OSIDPKIQNZHWCU-OLMNPRSZSA-N 1 0 329.444 2.690 40 0 EFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)[C@H]2C ZINC000096201239 473339234 /nfs/dbraw/zinc/33/92/34/473339234.db2.gz SUAZVMIMXXKUCY-AWEZNQCLSA-N 1 0 333.480 2.752 40 0 EFABRO c1cc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)co1 ZINC000096206499 473340397 /nfs/dbraw/zinc/34/03/97/473340397.db2.gz NEIRNDPGHBGDCD-GOSISDBHSA-N 1 0 335.444 2.846 40 0 EFABRO COC[C@H]1C(=O)N(c2ccccc2)CC12CC[NH+](CC1CC1)CC2 ZINC000096206127 473340804 /nfs/dbraw/zinc/34/08/04/473340804.db2.gz CGDOIKCVIANASR-SFHVURJKSA-N 1 0 328.456 2.788 40 0 EFABRO CCN1CC2(CC[NH+](Cc3ccccc3F)CC2)[C@@H](COC)C1=O ZINC000096205826 473341135 /nfs/dbraw/zinc/34/11/35/473341135.db2.gz JMQBOHDOCYTROJ-INIZCTEOSA-N 1 0 334.435 2.533 40 0 EFABRO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)co1 ZINC000096206193 473341435 /nfs/dbraw/zinc/34/14/35/473341435.db2.gz PRAHDOLRSGTLJI-MOPGFXCFSA-N 1 0 335.444 2.846 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21)NCc1cccs1 ZINC000096207615 473341835 /nfs/dbraw/zinc/34/18/35/473341835.db2.gz AMOHLNHKAWJMTQ-XYPHTWIQSA-N 1 0 334.485 2.644 40 0 EFABRO CO[C@@H]1CCN(Cc2nc(C)cs2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096207302 473342702 /nfs/dbraw/zinc/34/27/02/473342702.db2.gz BQZYEIBVBKTPNM-GVDBMIGSSA-N 1 0 347.484 2.766 40 0 EFABRO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096209334 473344013 /nfs/dbraw/zinc/34/40/13/473344013.db2.gz APVRFTWYTWMWDO-SFHVURJKSA-N 1 0 343.471 2.577 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1=CCCC1)CC2 ZINC000096208287 473345056 /nfs/dbraw/zinc/34/50/56/473345056.db2.gz FQSBTMJPKQLMRG-GOSISDBHSA-N 1 0 332.488 2.836 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1=CCCC1)CC2 ZINC000096208286 473345127 /nfs/dbraw/zinc/34/51/27/473345127.db2.gz FQSBTMJPKQLMRG-SFHVURJKSA-N 1 0 332.488 2.836 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(OC)cc1)C2 ZINC000096216480 473346610 /nfs/dbraw/zinc/34/66/10/473346610.db2.gz JRKPDSZNGWBQBG-CTNGQTDRSA-N 1 0 344.499 2.876 40 0 EFABRO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]23)c1 ZINC000096216000 473346917 /nfs/dbraw/zinc/34/69/17/473346917.db2.gz LLPSCPMTGQXWJE-JCURWCKSSA-N 1 0 333.819 2.589 40 0 EFABRO c1ccc(NC[C@H]2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)O2)nc1 ZINC000096215631 473347312 /nfs/dbraw/zinc/34/73/12/473347312.db2.gz GYNYOHMKJNBHJD-IEBWSBKVSA-N 1 0 331.460 2.686 40 0 EFABRO Cc1cccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)n1 ZINC000096216105 473347465 /nfs/dbraw/zinc/34/74/65/473347465.db2.gz UDVKUOMWIMGUMZ-QUCCMNQESA-N 1 0 345.487 2.533 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(c3ncc(C)cn3)C2)C1 ZINC000096216002 473347946 /nfs/dbraw/zinc/34/79/46/473347946.db2.gz AVRAJBOBQKYZGR-IBGZPJMESA-N 1 0 341.459 2.882 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3NC(=O)C3CC3)CC2)s1 ZINC000096216359 473347998 /nfs/dbraw/zinc/34/79/98/473347998.db2.gz ODLSHIJFHQHAPK-QGZVFWFLSA-N 1 0 348.512 2.954 40 0 EFABRO O=C1CCCN1C[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)O1 ZINC000096215735 473348274 /nfs/dbraw/zinc/34/82/74/473348274.db2.gz UHDAZJVKSFWWCW-FUHWJXTLSA-N 1 0 334.485 2.884 40 0 EFABRO CO[C@@H]1CC[N@H+](Cc2ccoc2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096218152 473349045 /nfs/dbraw/zinc/34/90/45/473349045.db2.gz UWAZPSIDMZEQMT-RCCFBDPRSA-N 1 0 347.484 2.766 40 0 EFABRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349278 /nfs/dbraw/zinc/34/92/78/473349278.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 1 0 339.487 2.612 40 0 EFABRO c1cc(C[NH+]2CCC3(CCOC[C@H]3COc3cnccn3)CC2)co1 ZINC000096216681 473349925 /nfs/dbraw/zinc/34/99/25/473349925.db2.gz JMVPFIHNKUHRPJ-KRWDZBQOSA-N 1 0 343.427 2.767 40 0 EFABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350528 /nfs/dbraw/zinc/35/05/28/473350528.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 1 0 338.879 2.619 40 0 EFABRO O=C(N[C@@H]1COCCC12CC[NH+](CCc1ccccc1)CC2)C1CC1 ZINC000096216934 473350633 /nfs/dbraw/zinc/35/06/33/473350633.db2.gz BVYHOSMEFVNXMW-LJQANCHMSA-N 1 0 342.483 2.626 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cc(C)oc1C)C2 ZINC000096218849 473352236 /nfs/dbraw/zinc/35/22/36/473352236.db2.gz ZFVLSKHZVPXGIM-FXAWDEMLSA-N 1 0 346.471 2.717 40 0 EFABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)/C=C/c3cccs3)C2)C1 ZINC000096219839 473353408 /nfs/dbraw/zinc/35/34/08/473353408.db2.gz WFOUFZBOGCHYEN-XDWWLABZSA-N 1 0 334.485 2.578 40 0 EFABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1oc3ccccc3c1C)C2 ZINC000096219842 473354142 /nfs/dbraw/zinc/35/41/42/473354142.db2.gz DNHASKUWUNPHDK-FOIQADDNSA-N 1 0 342.439 2.782 40 0 EFABRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)N1CCCO1 ZINC000096220299 473354521 /nfs/dbraw/zinc/35/45/21/473354521.db2.gz RHZAGEAPKSYNGH-KRWDZBQOSA-N 1 0 348.418 2.503 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cn1 ZINC000096224593 473355772 /nfs/dbraw/zinc/35/57/72/473355772.db2.gz HXARIHXWTGTVPS-QGZVFWFLSA-N 1 0 330.457 2.501 40 0 EFABRO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)s1 ZINC000096224634 473356008 /nfs/dbraw/zinc/35/60/08/473356008.db2.gz YLZPALMURUOYER-SFHVURJKSA-N 1 0 344.484 2.809 40 0 EFABRO c1coc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229021 473358540 /nfs/dbraw/zinc/35/85/40/473358540.db2.gz DENSVSAETHIMLW-LJQANCHMSA-N 1 0 327.428 2.794 40 0 EFABRO c1cncc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)c1 ZINC000096229022 473358564 /nfs/dbraw/zinc/35/85/64/473358564.db2.gz HZZUWOUHZWEJTO-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC000096229118 473359362 /nfs/dbraw/zinc/35/93/62/473359362.db2.gz WZEDPDPAMYUNAJ-GOSISDBHSA-N 1 0 344.484 2.657 40 0 EFABRO O=C1C[C@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239047 473360414 /nfs/dbraw/zinc/36/04/14/473360414.db2.gz RSBVLUVIUNHMQM-IBGZPJMESA-N 1 0 343.377 2.989 40 0 EFABRO c1csc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)n1 ZINC000096251706 473363904 /nfs/dbraw/zinc/36/39/04/473363904.db2.gz XBNOBTDNULGNAS-LNLFQRSKSA-N 1 0 341.480 2.746 40 0 EFABRO O=C(c1ccco1)N1CCO[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC000096249874 473364389 /nfs/dbraw/zinc/36/43/89/473364389.db2.gz FLSWYMSELQXDDH-NVXWUHKLSA-N 1 0 346.452 2.704 40 0 EFABRO O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000096261697 473368745 /nfs/dbraw/zinc/36/87/45/473368745.db2.gz WGOSWVRAJQLFKA-XQBPLPMBSA-N 1 0 345.446 2.844 40 0 EFABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261462 473369718 /nfs/dbraw/zinc/36/97/18/473369718.db2.gz IMVPFPJAICHXLA-SVFBPWRDSA-N 1 0 337.467 2.938 40 0 EFABRO O=C(c1n[nH]c2c1CCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000096402341 473379528 /nfs/dbraw/zinc/37/95/28/473379528.db2.gz FACIGLQBZWODNY-UHFFFAOYSA-N 1 0 330.476 2.627 40 0 EFABRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000096403561 473379811 /nfs/dbraw/zinc/37/98/11/473379811.db2.gz NKYSXQXPUPTEKW-SFHVURJKSA-N 1 0 346.446 2.571 40 0 EFABRO CN(CC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCN(C)CC2)cc1 ZINC000096403447 473380039 /nfs/dbraw/zinc/38/00/39/473380039.db2.gz WYWQNBTWXGQUAL-UHFFFAOYSA-N 1 0 346.519 2.986 40 0 EFABRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000096403564 473380170 /nfs/dbraw/zinc/38/01/70/473380170.db2.gz ZZFPVYYLGIKGMS-GOSISDBHSA-N 1 0 346.446 2.571 40 0 EFABRO CCc1ncc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)s1 ZINC000084018595 473383587 /nfs/dbraw/zinc/38/35/87/473383587.db2.gz WUZVOLCBNJXKIZ-NSHDSACASA-N 1 0 339.486 2.928 40 0 EFABRO Cc1cccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000096406856 473383898 /nfs/dbraw/zinc/38/38/98/473383898.db2.gz UDFMVZKKXAOYAG-BBWFWOEESA-N 1 0 331.460 2.527 40 0 EFABRO O=C(C[N@H+](Cc1ccc(F)cc1)CC1CC1)NCc1ccccn1 ZINC000096406630 473384147 /nfs/dbraw/zinc/38/41/47/473384147.db2.gz CSSKZFBNSYBJBC-UHFFFAOYSA-N 1 0 327.403 2.749 40 0 EFABRO C[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000096407768 473385587 /nfs/dbraw/zinc/38/55/87/473385587.db2.gz BYIXRQLBLJJBJR-AWEZNQCLSA-N 1 0 340.345 2.972 40 0 EFABRO COCCC[NH+]1CCC(NC(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000096410107 473389741 /nfs/dbraw/zinc/38/97/41/473389741.db2.gz QOOGADSWKAVIJG-MRXNPFEDSA-N 1 0 346.471 2.560 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@H]1CC=CCC1 ZINC000000098653 471323447 /nfs/dbraw/zinc/32/34/47/471323447.db2.gz DNWJWTMARZAQCW-DLBZAZTESA-N 1 0 329.464 2.762 40 0 EFABRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000000166999 471329873 /nfs/dbraw/zinc/32/98/73/471329873.db2.gz OXXHXPODIXKWPP-GDBMZVCRSA-N 1 0 331.412 2.794 40 0 EFABRO O=c1oc2ccccc2c(N2CCOCC2)c1C[NH+]1CCCCC1 ZINC000000272761 471342356 /nfs/dbraw/zinc/34/23/56/471342356.db2.gz GQIDLFCWFDHGDI-UHFFFAOYSA-N 1 0 328.412 2.616 40 0 biogenic EFABRO CC[C@H](CO)[NH2+]C[C@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000000571470 471371890 /nfs/dbraw/zinc/37/18/90/471371890.db2.gz SQXKNNSAQFRJHY-CVEARBPZSA-N 1 0 330.472 2.550 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000900569 471377356 /nfs/dbraw/zinc/37/73/56/471377356.db2.gz LMXFPUVUUSHCMM-IBGZPJMESA-N 1 0 338.451 2.523 40 0 in-man EFABRO COC(=O)[C@H](c1ccccc1)C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000001664549 471395175 /nfs/dbraw/zinc/39/51/75/471395175.db2.gz UHQATSRWAFZSAY-IBGZPJMESA-N 1 0 339.435 2.970 40 0 EFABRO C[C@@H]([NH2+]C[C@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686933 471415853 /nfs/dbraw/zinc/41/58/53/471415853.db2.gz KIHNKUWMHHYLRO-PBHICJAKSA-N 1 0 329.396 2.644 40 0 EFABRO CC[N@@H+]1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003635100 471455962 /nfs/dbraw/zinc/45/59/62/471455962.db2.gz LINSZIYEKJQFMG-SFHVURJKSA-N 1 0 325.408 2.560 40 0 in-vitro EFABRO CC[NH+](CC)CCOC(=O)C[C@@](C)(O)[C@@H]1CCO[C@@](C)(CC)C1 ZINC000004027464 471458794 /nfs/dbraw/zinc/45/87/94/471458794.db2.gz NJVWNHTWZNLWLA-BPQIPLTHSA-N 1 0 329.481 2.608 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004908051 471479127 /nfs/dbraw/zinc/47/91/27/471479127.db2.gz UITMDFSXBGPNRC-LBPRGKRZSA-N 1 0 348.834 2.787 40 0 EFABRO CCOCCC[NH2+]CC(=O)Nc1ccc(C)c(Br)c1 ZINC000005000569 471483204 /nfs/dbraw/zinc/48/32/04/471483204.db2.gz ZOEFAEWUCMCANQ-UHFFFAOYSA-N 1 0 329.238 2.712 40 0 EFABRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000005063844 471485774 /nfs/dbraw/zinc/48/57/74/471485774.db2.gz ITNRFSFKGBWFIP-MOPGFXCFSA-N 1 0 337.419 2.702 40 0 EFABRO CC[C@@]1(c2ccc(-[n+]3c(C)cc(C)cc3C)cc2)CCC(=O)NC1=O ZINC000005469159 471508347 /nfs/dbraw/zinc/50/83/47/471508347.db2.gz GQUDCTVSRRIFII-NRFANRHFSA-O 1 0 337.443 2.973 40 0 EFABRO COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3[C@@H]2C)cc1OC ZINC000005758924 471520134 /nfs/dbraw/zinc/52/01/34/471520134.db2.gz GMTIVZXAIAADFX-DJIMGWMZSA-N 1 0 346.471 2.625 40 0 EFABRO COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3[C@H]2C)cc1OC ZINC000005758926 471520594 /nfs/dbraw/zinc/52/05/94/471520594.db2.gz GMTIVZXAIAADFX-USXIJHARSA-N 1 0 346.471 2.625 40 0 EFABRO OCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1Cl ZINC000006495897 471546940 /nfs/dbraw/zinc/54/69/40/471546940.db2.gz CGMKQAKELINUJV-INIZCTEOSA-N 1 0 335.831 2.574 40 0 EFABRO CC[C@H](CO)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000006790343 471569171 /nfs/dbraw/zinc/56/91/71/471569171.db2.gz CCJAFJNCKBENAB-KGLIPLIRSA-N 1 0 329.868 2.872 40 0 EFABRO CCOc1ccc(S(=O)(=O)N[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000006941802 471579031 /nfs/dbraw/zinc/57/90/31/471579031.db2.gz QFPJEWXUZYWJPJ-OAHLLOKOSA-N 1 0 342.505 2.874 40 0 EFABRO Cc1ccccc1C[N@H+](C)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000006939109 471579236 /nfs/dbraw/zinc/57/92/36/471579236.db2.gz JALBKWKSWPPHMG-GOSISDBHSA-N 1 0 343.423 2.733 40 0 EFABRO NC(=O)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000007016382 471584581 /nfs/dbraw/zinc/58/45/81/471584581.db2.gz NDACNJXGOOOJIY-UHFFFAOYSA-N 1 0 337.423 2.636 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007224760 471599416 /nfs/dbraw/zinc/59/94/16/471599416.db2.gz YRSCEPYBHFNSHI-BBWFWOEESA-N 1 0 345.487 2.828 40 0 EFABRO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008267651 471676070 /nfs/dbraw/zinc/67/60/70/471676070.db2.gz HRPBXLQVYZVWKH-FUHWJXTLSA-N 1 0 344.455 2.602 40 0 EFABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Br)c1OC ZINC000008326258 471681685 /nfs/dbraw/zinc/68/16/85/471681685.db2.gz LOIHJAMYBYAOEQ-NSHDSACASA-N 1 0 332.238 2.717 40 0 EFABRO COc1ccc(CC(=O)NCCC[NH+]2CCCCCC2)cc1OC ZINC000010111111 471728114 /nfs/dbraw/zinc/72/81/14/471728114.db2.gz ZPWFSSHWVTZTJV-UHFFFAOYSA-N 1 0 334.460 2.629 40 0 EFABRO O=C(CC[N@@H+]1CCc2sccc2C1)NC(=O)NCc1ccccc1 ZINC000010093013 471728289 /nfs/dbraw/zinc/72/82/89/471728289.db2.gz MYTPSVNDWICJSS-UHFFFAOYSA-N 1 0 343.452 2.522 40 0 EFABRO C[NH+](C)CCCNC(=O)CSCc1ccccc1Br ZINC000010111337 471728484 /nfs/dbraw/zinc/72/84/84/471728484.db2.gz RAGQTYPNBCJDNX-UHFFFAOYSA-N 1 0 345.306 2.750 40 0 EFABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(=O)[nH]c1 ZINC000010281802 471732328 /nfs/dbraw/zinc/73/23/28/471732328.db2.gz MRTYASFLEZYOQQ-UHFFFAOYSA-N 1 0 325.412 2.703 40 0 EFABRO Cc1cc2nc(C3CC[NH+](Cc4cccc(C)n4)CC3)cc(N)n2n1 ZINC000012088795 471763621 /nfs/dbraw/zinc/76/36/21/471763621.db2.gz YTXDSYBOOZIWOM-UHFFFAOYSA-N 1 0 336.443 2.703 40 0 EFABRO C[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)C1 ZINC000012113982 471764594 /nfs/dbraw/zinc/76/45/94/471764594.db2.gz ASOWSYGVBJYMRG-OAHLLOKOSA-N 1 0 344.455 2.853 40 0 EFABRO CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CC[NH2+]CC1 ZINC000012157439 471766009 /nfs/dbraw/zinc/76/60/09/471766009.db2.gz XEEZPWYTHFHYST-ZDUSSCGKSA-N 1 0 334.391 2.642 40 0 EFABRO CCOC(=O)[C@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCC[NH2+]C1 ZINC000012157399 471766309 /nfs/dbraw/zinc/76/63/09/471766309.db2.gz YQRDHEBGMHUVLJ-QAPCUYQASA-N 1 0 334.391 2.642 40 0 EFABRO COc1ccc(C2([NH2+]Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000012238676 471769057 /nfs/dbraw/zinc/76/90/57/471769057.db2.gz SKRWWYNSMAJPLY-UHFFFAOYSA-N 1 0 337.423 2.665 40 0 EFABRO CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)no2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241813 471769297 /nfs/dbraw/zinc/76/92/97/471769297.db2.gz DEEHMBVTJNFSLF-SJORKVTESA-N 1 0 343.427 2.599 40 0 EFABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292463 471770533 /nfs/dbraw/zinc/77/05/33/471770533.db2.gz COBZOZUKLBCMHH-IBGZPJMESA-N 1 0 345.414 2.851 40 0 EFABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[NH2+]C1 ZINC000012275205 471770851 /nfs/dbraw/zinc/77/08/51/471770851.db2.gz BBBNUWJZKFDDBS-SFHVURJKSA-N 1 0 332.375 2.956 40 0 EFABRO CCCO[C@@H]1CCC[N@H+](Cc2c(C)n(CC(N)=O)c3ccccc32)C1 ZINC000012364449 471773355 /nfs/dbraw/zinc/77/33/55/471773355.db2.gz GZGHZXPHWFJBEX-MRXNPFEDSA-N 1 0 343.471 2.826 40 0 EFABRO CCOc1cc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)ccc1OC ZINC000012366575 471773376 /nfs/dbraw/zinc/77/33/76/471773376.db2.gz XOMUFYYQLDHJDG-NVXWUHKLSA-N 1 0 346.427 2.738 40 0 EFABRO C[NH+](C)CCN(Cc1cccnc1)C(=O)C1(c2ccccc2F)CC1 ZINC000012360989 471773641 /nfs/dbraw/zinc/77/36/41/471773641.db2.gz RZUSWURNESRPHU-UHFFFAOYSA-N 1 0 341.430 2.843 40 0 EFABRO CC(C)n1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C(F)(F)F ZINC000012398927 471775315 /nfs/dbraw/zinc/77/53/15/471775315.db2.gz ZDTONFBHHVRCBP-UHFFFAOYSA-N 1 0 327.354 2.959 40 0 EFABRO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCC(C)CC3)C2=O)cc1 ZINC000013404038 471828806 /nfs/dbraw/zinc/82/88/06/471828806.db2.gz MYXUSYFLIBIYLP-MQBCKMQZSA-N 1 0 330.428 2.886 40 0 EFABRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccccc1 ZINC000014775988 471878574 /nfs/dbraw/zinc/87/85/74/471878574.db2.gz UIKKRTUUKOKKCH-GOSISDBHSA-N 1 0 325.412 2.711 40 0 EFABRO C[C@@H]1CCc2onc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C1 ZINC000015726847 471915565 /nfs/dbraw/zinc/91/55/65/471915565.db2.gz AWYPAFUEDUBTQZ-CQSZACIVSA-N 1 0 331.460 2.890 40 0 EFABRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000017296890 471960187 /nfs/dbraw/zinc/96/01/87/471960187.db2.gz RGKJDDDODPIFDE-QZTJIDSGSA-N 1 0 349.471 2.627 40 0 EFABRO Cc1ccc([C@@H](O)CN2CCO[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000019132523 471977484 /nfs/dbraw/zinc/97/74/84/471977484.db2.gz BOPTVRBZIJZKMO-ICSRJNTNSA-N 1 0 332.488 2.524 40 0 EFABRO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc1 ZINC000019210396 471978627 /nfs/dbraw/zinc/97/86/27/471978627.db2.gz XUKQBDGSRNKRIX-BHIFYINESA-N 1 0 336.479 2.857 40 0 EFABRO CN1C(=O)c2ccccc2[C@H](O)[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000019461862 471979322 /nfs/dbraw/zinc/97/93/22/471979322.db2.gz CDVBKHQCSLCOAU-SVFBPWRDSA-N 1 0 336.435 2.696 40 0 EFABRO O[C@@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2 ZINC000019335381 471979598 /nfs/dbraw/zinc/97/95/98/471979598.db2.gz NPPZPAZPNTYELE-IBGZPJMESA-N 1 0 342.414 2.616 40 0 EFABRO COCCn1cc(C(=O)N2CCC[C@@H](C[NH+](C)C)C2)c2ccccc21 ZINC000019582066 471981231 /nfs/dbraw/zinc/98/12/31/471981231.db2.gz ZIBXDJMIWQWYLZ-INIZCTEOSA-N 1 0 343.471 2.702 40 0 EFABRO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@@H+](CC1CC1)C2 ZINC000019701567 471982563 /nfs/dbraw/zinc/98/25/63/471982563.db2.gz CLLPLSFSQNVTJX-AWEZNQCLSA-N 1 0 328.391 2.507 40 0 EFABRO COCCn1cncc1-c1cn(CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000019696572 471983263 /nfs/dbraw/zinc/98/32/63/471983263.db2.gz JNJWMHJEJOTYEZ-UHFFFAOYSA-N 1 0 345.834 2.672 40 0 EFABRO Cc1nc(-c2cncnc2[C@H]2CC[N@H+](CCc3ccccc3)C2)no1 ZINC000019693863 471983635 /nfs/dbraw/zinc/98/36/35/471983635.db2.gz CBORJYXZFBQGNH-INIZCTEOSA-N 1 0 335.411 2.867 40 0 EFABRO Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CC[NH+](C)CC1 ZINC000020662002 471992545 /nfs/dbraw/zinc/99/25/45/471992545.db2.gz NHHIKROAARKSQZ-UHFFFAOYSA-N 1 0 342.834 2.529 40 0 EFABRO S=C(NC1CC1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000036569277 472001782 /nfs/dbraw/zinc/00/17/82/472001782.db2.gz PGSDIRMFGYBOJM-MVJTYMMSSA-N 1 0 331.529 2.918 40 0 EFABRO Cc1ccccc1C(=O)NCCNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC000036708049 472004152 /nfs/dbraw/zinc/00/41/52/472004152.db2.gz LYQVEPJYEWWXEC-UHFFFAOYSA-N 1 0 339.443 2.536 40 0 EFABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000025368666 472093520 /nfs/dbraw/zinc/09/35/20/472093520.db2.gz SGSAEOMMBTURCY-MRXNPFEDSA-N 1 0 329.396 2.595 40 0 EFABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(F)cc1F ZINC000026439379 472135847 /nfs/dbraw/zinc/13/58/47/472135847.db2.gz FMIXHAPGEHQRRH-UHFFFAOYSA-N 1 0 337.414 2.854 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(SC)n3C)C2)cc1 ZINC000026441088 472136221 /nfs/dbraw/zinc/13/62/21/472136221.db2.gz DWADXOMINRMLEG-AWEZNQCLSA-N 1 0 332.473 2.925 40 0 EFABRO C[C@@H](Oc1ccccc1)C(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085436273 472247940 /nfs/dbraw/zinc/24/79/40/472247940.db2.gz GKHOBZXTFIIKMI-SJORKVTESA-N 1 0 348.512 2.884 40 0 EFABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085468127 472251435 /nfs/dbraw/zinc/25/14/35/472251435.db2.gz VSCLUJBLGNSVCM-QGZVFWFLSA-N 1 0 335.536 2.831 40 0 EFABRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000029712414 472290945 /nfs/dbraw/zinc/29/09/45/472290945.db2.gz DDQNLAGDQHTBGX-MRXNPFEDSA-N 1 0 346.452 2.505 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCCO3)CC2)cc1 ZINC000087052226 472301296 /nfs/dbraw/zinc/30/12/96/472301296.db2.gz HMUVZGNUPUSNNX-LJQANCHMSA-N 1 0 346.471 2.689 40 0 EFABRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000056517464 472331292 /nfs/dbraw/zinc/33/12/92/472331292.db2.gz TXXIQJMGQHYJBI-HZSPNIEDSA-N 1 0 333.432 2.903 40 0 EFABRO Cc1cc(NC(=O)CCN2CCC[N@H+](Cc3ccccc3)CC2)no1 ZINC000044895968 472349409 /nfs/dbraw/zinc/34/94/09/472349409.db2.gz ZJTBMEZAEPRYJN-UHFFFAOYSA-N 1 0 342.443 2.520 40 0 EFABRO C1CC2CCC1CN([C@H]1CO[C@@H]([NH+]3CC4CCC(CC4)C3)CO1)C2 ZINC000031688081 472388615 /nfs/dbraw/zinc/38/86/15/472388615.db2.gz KMYPMHHZMQKXPU-MHUBRMLGSA-N 1 0 334.504 2.929 40 0 EFABRO C[N@H+](CCN[C@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098752 472445503 /nfs/dbraw/zinc/44/55/03/472445503.db2.gz RFEIESOJRRFCSX-KRWDZBQOSA-N 1 0 336.501 2.759 40 0 EFABRO COc1cc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)ccc1F ZINC000097099492 472446264 /nfs/dbraw/zinc/44/62/64/472446264.db2.gz JEOOYZVUQVWYFU-MRXNPFEDSA-N 1 0 349.427 2.885 40 0 EFABRO CC1(C)C[C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C(C)(C)O1 ZINC000089624263 472471386 /nfs/dbraw/zinc/47/13/86/472471386.db2.gz PRYFPBWJVKENJO-ZDUSSCGKSA-N 1 0 326.387 2.630 40 0 EFABRO O=c1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)nc2ccccn12 ZINC000032851120 472473928 /nfs/dbraw/zinc/47/39/28/472473928.db2.gz LTXMBGQXEDSYGL-UHFFFAOYSA-N 1 0 333.391 2.689 40 0 EFABRO CCOc1ncccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000097228282 472483304 /nfs/dbraw/zinc/48/33/04/472483304.db2.gz CLFIDMRHBRIWGB-LPHOPBHVSA-N 1 0 340.471 2.876 40 0 EFABRO O=C(OCc1cncc(Br)c1)c1ccn2c[nH+]cc2c1 ZINC000097230492 472483615 /nfs/dbraw/zinc/48/36/15/472483615.db2.gz SNCNHKXRUIXYNY-UHFFFAOYSA-N 1 0 332.157 2.849 40 0 EFABRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230724 472483823 /nfs/dbraw/zinc/48/38/23/472483823.db2.gz VACSYAVKZMDUEF-CABCVRRESA-N 1 0 342.480 2.516 40 0 EFABRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234784 472484760 /nfs/dbraw/zinc/48/47/60/472484760.db2.gz YTRFPJBQKVLZHG-JGGQBBKZSA-N 1 0 334.464 2.645 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000097375044 472493062 /nfs/dbraw/zinc/49/30/62/472493062.db2.gz MZEKEGCEEXRPMX-QFHJOOASSA-N 1 0 349.496 2.607 40 0 EFABRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000058156286 472508672 /nfs/dbraw/zinc/50/86/72/472508672.db2.gz GAWZGWOXTCQEEL-KBXCAEBGSA-N 1 0 349.450 2.945 40 0 EFABRO Cc1cccc(CO[C@@H]2C[N@H+](Cc3ccoc3)[C@@H]3CCCO[C@H]23)n1 ZINC000097953790 472512709 /nfs/dbraw/zinc/51/27/09/472512709.db2.gz FFRXIDNNNPIFGH-QRVBRYPASA-N 1 0 328.412 2.932 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 ZINC000097953394 472512895 /nfs/dbraw/zinc/51/28/95/472512895.db2.gz DYYJXMWAGWRZEE-ARFHVFGLSA-N 1 0 334.485 2.516 40 0 EFABRO O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)COc1ccc(F)cc1 ZINC000089866610 472527458 /nfs/dbraw/zinc/52/74/58/472527458.db2.gz LHXKEASIOJXLRC-INIZCTEOSA-N 1 0 328.387 2.879 40 0 EFABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000101039131 472529982 /nfs/dbraw/zinc/52/99/82/472529982.db2.gz PVHYSIRBQBWLRV-LSDHHAIUSA-N 1 0 339.867 2.939 40 0 EFABRO CC(C)COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn1 ZINC000102716150 472589881 /nfs/dbraw/zinc/58/98/81/472589881.db2.gz CETJYRWIYLJYFX-MRXNPFEDSA-N 1 0 330.432 2.594 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130217578 472590797 /nfs/dbraw/zinc/59/07/97/472590797.db2.gz NRQJHCQBBSRBPP-GXTWGEPZSA-N 1 0 336.398 2.725 40 0 EFABRO CSC1(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)CCOCC1 ZINC000090112111 472597418 /nfs/dbraw/zinc/59/74/18/472597418.db2.gz KLLMZCASCILWMS-OAHLLOKOSA-N 1 0 328.522 2.669 40 0 EFABRO C[NH+]1CCN(c2ccc([C@H]3CCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000072216519 472634327 /nfs/dbraw/zinc/63/43/27/472634327.db2.gz ARDHRWXDWVGYPJ-MRXNPFEDSA-N 1 0 346.475 2.905 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000072216384 472634523 /nfs/dbraw/zinc/63/45/23/472634523.db2.gz HYCVXABUFWOJAL-HNNXBMFYSA-N 1 0 332.448 2.563 40 0 EFABRO NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000072228508 472635624 /nfs/dbraw/zinc/63/56/24/472635624.db2.gz ZHRZBANEDKNUDH-UHFFFAOYSA-N 1 0 326.469 2.664 40 0 EFABRO CCOc1ccccc1NC(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090608926 472642616 /nfs/dbraw/zinc/64/26/16/472642616.db2.gz OPNLBDMMRVDLHD-CQSZACIVSA-N 1 0 337.489 2.986 40 0 EFABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC000072374025 472663799 /nfs/dbraw/zinc/66/37/99/472663799.db2.gz BPNWSYIUOBTNHI-MRXNPFEDSA-N 1 0 345.491 2.748 40 0 EFABRO CCOc1cc(C[NH2+]C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000060815302 472678888 /nfs/dbraw/zinc/67/88/88/472678888.db2.gz VYSKDAYXMARFKK-UHFFFAOYSA-N 1 0 332.444 2.729 40 0 EFABRO O=C(COc1ccc2c(c1)CCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000078265919 472685022 /nfs/dbraw/zinc/68/50/22/472685022.db2.gz VCPDNFAJHWJAAI-UHFFFAOYSA-N 1 0 328.456 2.641 40 0 EFABRO [NH3+]C1(CC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)CCC1 ZINC000156321040 472693020 /nfs/dbraw/zinc/69/30/20/472693020.db2.gz YVOIHIBNBKPTCH-UHFFFAOYSA-N 1 0 340.427 2.714 40 0 EFABRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2cccc(F)c2)CC1 ZINC000078394296 472710637 /nfs/dbraw/zinc/71/06/37/472710637.db2.gz FUXSBMDPGQNCPW-UHFFFAOYSA-N 1 0 341.430 2.784 40 0 EFABRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000132129538 472716363 /nfs/dbraw/zinc/71/63/63/472716363.db2.gz DTOLDTVRJDJQLO-GRTSSRMGSA-N 1 0 340.489 2.673 40 0 EFABRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000132129755 472716955 /nfs/dbraw/zinc/71/69/55/472716955.db2.gz DTOLDTVRJDJQLO-LRVUVFPRSA-N 1 0 340.489 2.673 40 0 EFABRO CC1=C2C[C@@H]3[C@H](C[N@H+](C)CC4OCCO4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000061992827 472727502 /nfs/dbraw/zinc/72/75/02/472727502.db2.gz NXXCEAWRSOBYOT-DOHHPOSVSA-N 1 0 349.471 2.749 40 0 biogenic EFABRO COc1ccccc1[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280565 472751486 /nfs/dbraw/zinc/75/14/86/472751486.db2.gz YWMDSPOCXOKQDJ-KDOFPFPSSA-N 1 0 337.485 2.951 40 0 EFABRO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000091302891 472753255 /nfs/dbraw/zinc/75/32/55/472753255.db2.gz MMBTYHLAANACEW-JKSUJKDBSA-N 1 0 330.428 2.697 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000133110464 472774771 /nfs/dbraw/zinc/77/47/71/472774771.db2.gz OTRNOZPCSXBKKQ-NNGSBXSVSA-N 1 0 326.444 2.970 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000133110674 472774910 /nfs/dbraw/zinc/77/49/10/472774910.db2.gz OTRNOZPCSXBKKQ-RWBZWWBESA-N 1 0 326.444 2.970 40 0 EFABRO COc1ccccc1C[N@H+](C)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000078921821 472789274 /nfs/dbraw/zinc/78/92/74/472789274.db2.gz PCPHIODLUJAFES-UHFFFAOYSA-N 1 0 334.441 2.699 40 0 EFABRO C[C@@H]1CCCC[C@H]1OCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000079043868 472809700 /nfs/dbraw/zinc/80/97/00/472809700.db2.gz GKVDJWATDHKXJA-VQIMIIECSA-N 1 0 345.487 2.758 40 0 EFABRO O=C(CCN1CCSC1=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000079041174 472810010 /nfs/dbraw/zinc/81/00/10/472810010.db2.gz NILOUOFLMXPWST-UHFFFAOYSA-N 1 0 334.445 2.569 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2cccn2C)CCOCC1)c1ccccc1 ZINC000079096319 472819480 /nfs/dbraw/zinc/81/94/80/472819480.db2.gz YYZGQYYKOSTZCD-INIZCTEOSA-N 1 0 341.455 2.655 40 0 EFABRO CSCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079311096 472847132 /nfs/dbraw/zinc/84/71/32/472847132.db2.gz GEJGNQVQKFTPHQ-CYBMUJFWSA-N 1 0 332.391 2.759 40 0 EFABRO CC(C)[N@H+](CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391726 472856612 /nfs/dbraw/zinc/85/66/12/472856612.db2.gz GCSPURZGHRMZLX-UHFFFAOYSA-N 1 0 334.460 2.738 40 0 EFABRO O=C(OCc1ccccc1)N1CCCC[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000079390923 472857311 /nfs/dbraw/zinc/85/73/11/472857311.db2.gz CLIGMJYADFFTGY-GOSISDBHSA-N 1 0 332.444 2.634 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N1CCC(N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000079410276 472859800 /nfs/dbraw/zinc/85/98/00/472859800.db2.gz JUEIUPNCAWEGRD-HNNXBMFYSA-N 1 0 341.496 2.606 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743279 472866434 /nfs/dbraw/zinc/86/64/34/472866434.db2.gz NVFXMJRRAQMWFI-AWEZNQCLSA-N 1 0 331.460 2.523 40 0 EFABRO C[NH+](C)Cc1ccc(NC(=O)c2cn(Cc3cccs3)nn2)cc1 ZINC000079451117 472867150 /nfs/dbraw/zinc/86/71/50/472867150.db2.gz BVUHZAUXGMYACA-UHFFFAOYSA-N 1 0 341.440 2.702 40 0 EFABRO CSCC[C@H]([NH3+])C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000157986513 472880729 /nfs/dbraw/zinc/88/07/29/472880729.db2.gz AVIZZFGSGACPKU-AWEZNQCLSA-N 1 0 342.892 2.790 40 0 EFABRO Cc1ccc(OCC[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000049605831 472954911 /nfs/dbraw/zinc/95/49/11/472954911.db2.gz MGGBMINGCIQACU-SFHVURJKSA-N 1 0 340.423 2.603 40 0 EFABRO CCCN(C(=O)Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000050041888 472976667 /nfs/dbraw/zinc/97/66/67/472976667.db2.gz NLVGPZVAQXXKLP-UHFFFAOYSA-N 1 0 339.277 2.982 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000108531085 473036122 /nfs/dbraw/zinc/03/61/22/473036122.db2.gz BFHLDJFMYZFNKP-FUHWJXTLSA-N 1 0 349.425 2.988 40 0 EFABRO c1ccc(-c2cccc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)c2)nc1 ZINC000093664895 473133503 /nfs/dbraw/zinc/13/35/03/473133503.db2.gz XJBPCPLBULENAR-IBGZPJMESA-N 1 0 337.467 2.903 40 0 EFABRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000136411649 473157415 /nfs/dbraw/zinc/15/74/15/473157415.db2.gz PLMPURYYIXPODW-AWEZNQCLSA-N 1 0 344.480 2.949 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)n1cccn1 ZINC000110647771 473168775 /nfs/dbraw/zinc/16/87/75/473168775.db2.gz XGSWOUTZOZZLSF-HOTGVXAUSA-N 1 0 342.443 2.803 40 0 EFABRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000110674618 473169790 /nfs/dbraw/zinc/16/97/90/473169790.db2.gz CQYLRDKBAXXDPX-UXLLHSPISA-N 1 0 348.512 2.882 40 0 EFABRO Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)no1 ZINC000110686005 473171142 /nfs/dbraw/zinc/17/11/42/473171142.db2.gz NAZLVLZCJLFUDR-WBMJQRKESA-N 1 0 343.431 2.849 40 0 EFABRO CCS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000110705124 473172168 /nfs/dbraw/zinc/17/21/68/473172168.db2.gz OSDZAUNXMHVQCK-MRVWCRGKSA-N 1 0 328.503 2.659 40 0 EFABRO COc1ccc(C[C@@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000110695711 473172936 /nfs/dbraw/zinc/17/29/36/473172936.db2.gz GCBRCEYZHIMEER-GJYPPUQNSA-N 1 0 347.503 2.855 40 0 EFABRO Cn1cccc1CNC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095404483 473197997 /nfs/dbraw/zinc/19/79/97/473197997.db2.gz JBSLYYSAPDFABN-UHFFFAOYSA-N 1 0 344.434 2.628 40 0 EFABRO CCn1nc(C)cc1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000096414011 473392785 /nfs/dbraw/zinc/39/27/85/473392785.db2.gz VTMHXGQPJNPHFX-UHFFFAOYSA-N 1 0 330.432 2.713 40 0 EFABRO COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414890 473393648 /nfs/dbraw/zinc/39/36/48/473393648.db2.gz GBWPDXUUCNYZKI-DOTOQJQBSA-N 1 0 339.439 2.584 40 0 EFABRO Cc1ncsc1CC[NH+]1CCN(CCOc2ccccc2C)CC1 ZINC000096414873 473394494 /nfs/dbraw/zinc/39/44/94/473394494.db2.gz LVURWGRGYPCFJZ-UHFFFAOYSA-N 1 0 345.512 2.999 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000096421583 473400309 /nfs/dbraw/zinc/40/03/09/473400309.db2.gz MJDNARJFRRAVJM-XIRDDKMYSA-N 1 0 349.450 2.500 40 0 EFABRO CC[C@]1(C)CN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCO1 ZINC000190822369 473401935 /nfs/dbraw/zinc/40/19/35/473401935.db2.gz GRASBDFWZKUIFY-FRQCXROJSA-N 1 0 337.508 2.850 40 0 EFABRO C[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1C ZINC000163007635 473405800 /nfs/dbraw/zinc/40/58/00/473405800.db2.gz MICLXXGHIQJXDX-KNCCTNLNSA-N 1 0 339.501 2.712 40 0 EFABRO Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000096427107 473406072 /nfs/dbraw/zinc/40/60/72/473406072.db2.gz FZYXNNOJWUNXBG-UHFFFAOYSA-N 1 0 347.422 2.538 40 0 EFABRO Cc1cncc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000096430761 473409785 /nfs/dbraw/zinc/40/97/85/473409785.db2.gz JBKRHLWQWBCACM-UHFFFAOYSA-N 1 0 333.382 2.872 40 0 EFABRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cn[nH]c1 ZINC000096435674 473415020 /nfs/dbraw/zinc/41/50/20/473415020.db2.gz XJMXNSGBNDSLKH-INIZCTEOSA-N 1 0 327.432 2.786 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000096435379 473415135 /nfs/dbraw/zinc/41/51/35/473415135.db2.gz FNJJLXIUGSEMNP-QGZVFWFLSA-N 1 0 341.459 2.541 40 0 EFABRO CC1CCC(O)(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)CC1 ZINC000096435742 473415366 /nfs/dbraw/zinc/41/53/66/473415366.db2.gz LILNLNMLHLDOIL-UHFFFAOYSA-N 1 0 331.460 2.673 40 0 EFABRO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000096443304 473420871 /nfs/dbraw/zinc/42/08/71/473420871.db2.gz DBOSNMQGTFPKOV-MRXNPFEDSA-N 1 0 331.460 2.560 40 0 EFABRO C[NH+](C)CCn1ccc2ccc(NC(=O)CC3CCOCC3)cc21 ZINC000096443721 473421004 /nfs/dbraw/zinc/42/10/04/473421004.db2.gz OYOXCLVLWFUJBD-UHFFFAOYSA-N 1 0 329.444 2.958 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000096445548 473423379 /nfs/dbraw/zinc/42/33/79/473423379.db2.gz FCALPMOWVWGKNR-OXQOHEQNSA-N 1 0 347.478 2.763 40 0 EFABRO C[NH+]1CCC(NC(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000113932694 473424370 /nfs/dbraw/zinc/42/43/70/473424370.db2.gz ZBUYVRKMZYPAOU-UHFFFAOYSA-N 1 0 330.856 2.923 40 0 EFABRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3csc(C)n3)C2)c1 ZINC000096449339 473426274 /nfs/dbraw/zinc/42/62/74/473426274.db2.gz MNPLKOORYSXUOS-CYBMUJFWSA-N 1 0 333.457 2.837 40 0 EFABRO CCO[C@H](CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000096447377 473426610 /nfs/dbraw/zinc/42/66/10/473426610.db2.gz ZZKAAJQENLMIMB-QZTJIDSGSA-N 1 0 337.508 2.852 40 0 EFABRO O=C(NCC[S@@](=O)c1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452091 473428298 /nfs/dbraw/zinc/42/82/98/473428298.db2.gz VMNNAMKUSSWFAV-FYSMJZIKSA-N 1 0 348.512 2.565 40 0 EFABRO CCS[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000096452312 473428847 /nfs/dbraw/zinc/42/88/47/473428847.db2.gz GBQFUICDPAJRPJ-GOEBONIOSA-N 1 0 325.522 2.977 40 0 EFABRO Cc1cc2cc(C[NH2+]C3CCN(CC(=O)N(C)C)CC3)oc2cc1C ZINC000096453975 473430087 /nfs/dbraw/zinc/43/00/87/473430087.db2.gz PIUINJOQEXVUMR-UHFFFAOYSA-N 1 0 343.471 2.692 40 0 EFABRO Cc1ccc(O)c(CNc2ccccc2C[NH+]2CCC(CO)CC2)n1 ZINC000096461406 473433974 /nfs/dbraw/zinc/43/39/74/473433974.db2.gz GAKKSSGOUFKNPE-UHFFFAOYSA-N 1 0 341.455 2.912 40 0 EFABRO O=C(N1CC[NH+](C2CCOCC2)CC1)C1(Cc2ccccc2)CCC1 ZINC000096462914 473435171 /nfs/dbraw/zinc/43/51/71/473435171.db2.gz UWRCDSGSNHQJBO-UHFFFAOYSA-N 1 0 342.483 2.723 40 0 EFABRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](c2ccsc2)O1 ZINC000096469923 473435993 /nfs/dbraw/zinc/43/59/93/473435993.db2.gz GQCYJVWDMBUWCW-DZUCGIPZSA-N 1 0 349.500 2.846 40 0 EFABRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476459 473439859 /nfs/dbraw/zinc/43/98/59/473439859.db2.gz DHOJUGKNSLRKBS-HNAYVOBHSA-N 1 0 329.419 2.945 40 0 EFABRO C[C@H]1C[N@H+](CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000096483369 473441761 /nfs/dbraw/zinc/44/17/61/473441761.db2.gz LJTKZLYXNPAXOS-GJZGRUSLSA-N 1 0 326.481 2.917 40 0 EFABRO CC(C)[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000096492299 473447498 /nfs/dbraw/zinc/44/74/98/473447498.db2.gz VJBAAVNQCQZCAI-QGZVFWFLSA-N 1 0 326.387 2.500 40 0 EFABRO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1cccc(N2CCCC2=O)c1 ZINC000096491306 473447526 /nfs/dbraw/zinc/44/75/26/473447526.db2.gz IIVZQJWWPNKOMH-LBPRGKRZSA-N 1 0 344.440 2.559 40 0 EFABRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(=O)NC[C@@H]1CCCO1 ZINC000096491161 473447675 /nfs/dbraw/zinc/44/76/75/473447675.db2.gz GPPQTQQXPCOYMH-GVXVVHGQSA-N 1 0 328.815 2.813 40 0 EFABRO Cc1cnccc1CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096500581 473452478 /nfs/dbraw/zinc/45/24/78/473452478.db2.gz GIYAOVZRINYMLA-FUHWJXTLSA-N 1 0 344.503 2.885 40 0 EFABRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000096500979 473453315 /nfs/dbraw/zinc/45/33/15/473453315.db2.gz SDGRACYZYRQCRE-IBGZPJMESA-N 1 0 330.472 2.840 40 0 EFABRO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H]3C(C)=CCC[C@H]3C)CC2)no1 ZINC000191044179 473464587 /nfs/dbraw/zinc/46/45/87/473464587.db2.gz RCALACLHHJWBRW-NVXWUHKLSA-N 1 0 346.475 2.532 40 0 EFABRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC000191905930 473588819 /nfs/dbraw/zinc/58/88/19/473588819.db2.gz ZKNNXGPNWWGBDS-DZGCQCFKSA-N 1 0 338.835 2.977 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)n1 ZINC000192278090 473662620 /nfs/dbraw/zinc/66/26/20/473662620.db2.gz NEJPMPUGVPWIOX-UHFFFAOYSA-N 1 0 347.850 2.688 40 0 EFABRO CCOc1cncc(N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)n1 ZINC000192790050 473726504 /nfs/dbraw/zinc/72/65/04/473726504.db2.gz BESLGWRWAAJWLP-AWEZNQCLSA-N 1 0 347.488 2.599 40 0 EFABRO O=C(CN1CC[C@@H](CO)C1)N1c2ccccc2CCc2ccccc21 ZINC000193379264 473783140 /nfs/dbraw/zinc/78/31/40/473783140.db2.gz YPOLLBFMPPOMGK-MRXNPFEDSA-N 1 0 336.435 2.764 40 0 EFABRO CSC1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000194817449 473957787 /nfs/dbraw/zinc/95/77/87/473957787.db2.gz QDAMCACSYGXASO-UHFFFAOYSA-N 1 0 333.501 2.977 40 0 EFABRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061082 473968054 /nfs/dbraw/zinc/96/80/54/473968054.db2.gz ODWZEEZHKXXFOL-BLLLJJGKSA-N 1 0 346.862 2.881 40 0 EFABRO c1c[nH]c([C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048961 473998171 /nfs/dbraw/zinc/99/81/71/473998171.db2.gz WTTFEDYHWBMBPK-MSOLQXFVSA-N 1 0 325.460 2.748 40 0 EFABRO Cc1ccccc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188174260 474008504 /nfs/dbraw/zinc/00/85/04/474008504.db2.gz USQWACXAUJNUNK-NRFANRHFSA-N 1 0 338.451 2.704 40 0 EFABRO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195298466 474053732 /nfs/dbraw/zinc/05/37/32/474053732.db2.gz NLNMBJCSRMRDGL-FQEVSTJZSA-N 1 0 325.456 2.528 40 0 EFABRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000188414363 474087747 /nfs/dbraw/zinc/08/77/47/474087747.db2.gz TZJCDZOWFPSARL-JTQLQIEISA-N 1 0 337.217 2.862 40 0 EFABRO CCOc1c(Cl)cccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000195543289 474091447 /nfs/dbraw/zinc/09/14/47/474091447.db2.gz CYALWBMFUIVPGN-UHFFFAOYSA-N 1 0 349.822 2.507 40 0 EFABRO CCc1ccc([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2cccs2)cc1 ZINC000195543084 474091524 /nfs/dbraw/zinc/09/15/24/474091524.db2.gz PQNRMGBCQITENJ-DOTOQJQBSA-N 1 0 330.453 2.505 40 0 EFABRO C[C@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000195543436 474091701 /nfs/dbraw/zinc/09/17/01/474091701.db2.gz WFXVYEMKVRTUTF-KXBFYZLASA-N 1 0 346.471 2.509 40 0 EFABRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000195541271 474092089 /nfs/dbraw/zinc/09/20/89/474092089.db2.gz HEBOVJSZCSHYDP-CZUORRHYSA-N 1 0 340.514 2.773 40 0 EFABRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H](c2ccsc2)O1 ZINC000195539312 474092292 /nfs/dbraw/zinc/09/22/92/474092292.db2.gz GQCYJVWDMBUWCW-SIXLDLHFSA-N 1 0 349.500 2.846 40 0 EFABRO O=C([C@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000195546003 474092785 /nfs/dbraw/zinc/09/27/85/474092785.db2.gz SVUJICIXFKKLSI-MANSERQUSA-N 1 0 334.504 2.774 40 0 EFABRO O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000195549783 474092797 /nfs/dbraw/zinc/09/27/97/474092797.db2.gz QBLSPKRSNOTXSP-SFHVURJKSA-N 1 0 345.464 2.932 40 0 EFABRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)n1 ZINC000195544103 474093372 /nfs/dbraw/zinc/09/33/72/474093372.db2.gz KGYYQIWCBVXLQE-DZGCQCFKSA-N 1 0 330.457 2.526 40 0 EFABRO CS[C@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549814 474093446 /nfs/dbraw/zinc/09/34/46/474093446.db2.gz HZMOYUDQSCWKEE-UONOGXRCSA-N 1 0 333.906 2.911 40 0 EFABRO C[C@@H](Cc1ccc2ccccc2c1)NC(=O)COC[C@H]1CCC[NH2+]C1 ZINC000195549514 474093482 /nfs/dbraw/zinc/09/34/82/474093482.db2.gz XKWAXFBYTKSACH-WMZOPIPTSA-N 1 0 340.467 2.903 40 0 EFABRO OC[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557679 474094559 /nfs/dbraw/zinc/09/45/59/474094559.db2.gz VBHFUSNAXDMQBH-KDOFPFPSSA-N 1 0 330.403 2.875 40 0 EFABRO CN(Cc1cn(C)nc1C1CCCCC1)CC(C)(C)S(C)(=O)=O ZINC000195560406 474096213 /nfs/dbraw/zinc/09/62/13/474096213.db2.gz LLRJEBQNUNSWSQ-UHFFFAOYSA-N 1 0 341.521 2.723 40 0 EFABRO CN(CCc1ccc(Br)cc1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000195559533 474096396 /nfs/dbraw/zinc/09/63/96/474096396.db2.gz LVNCJGCXPKBEJX-CQSZACIVSA-N 1 0 325.250 2.577 40 0 EFABRO Cc1ncsc1C[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000195566494 474097735 /nfs/dbraw/zinc/09/77/35/474097735.db2.gz AIWWQNFBOJYMFV-LLVKDONJSA-N 1 0 329.425 2.616 40 0 EFABRO C[C@H](CCc1ccc(F)c(F)c1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000195570406 474098903 /nfs/dbraw/zinc/09/89/03/474098903.db2.gz MDMGCWPPFVJFQE-HIFRSBDPSA-N 1 0 339.430 2.879 40 0 EFABRO O=C(NCCc1cn2c(n1)CCCC2)c1cccnc1C(F)(F)F ZINC000195578010 474099859 /nfs/dbraw/zinc/09/98/59/474099859.db2.gz DVWZQLREIUXAHP-UHFFFAOYSA-N 1 0 338.333 2.606 40 0 EFABRO O=S(=O)(c1cc(F)ccc1OCC1CC1)N1CCc2cnccc21 ZINC000195578815 474100321 /nfs/dbraw/zinc/10/03/21/474100321.db2.gz RNSVWUDQKOXXMY-UHFFFAOYSA-N 1 0 348.399 2.761 40 0 EFABRO CC(C)[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000182165678 474112839 /nfs/dbraw/zinc/11/28/39/474112839.db2.gz DZPHWHRECHSTIL-LRDDRELGSA-N 1 0 346.443 2.533 40 0 EFABRO C[NH2+]Cc1ccc([C@@H]2CC3=C4C(=CC(=O)NC[C@H]4C2)C(F)=N3)cc1 ZINC000214087167 474136258 /nfs/dbraw/zinc/13/62/58/474136258.db2.gz CCIDINVPNOADML-UONOGXRCSA-N 1 0 325.387 2.592 40 0 EFABRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000188598164 474137552 /nfs/dbraw/zinc/13/75/52/474137552.db2.gz IEQNZQBPNXCQNX-IJEWVQPXSA-N 1 0 327.421 2.595 40 0 EFABRO [NH3+]CCCNc1ccnc2ccc(I)cc21 ZINC000222679275 474172618 /nfs/dbraw/zinc/17/26/18/474172618.db2.gz YQULFTOWFZFFIA-UHFFFAOYSA-N 1 0 327.169 2.600 40 0 EFABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CC[NH+](C)CC1 ZINC000222881134 474175263 /nfs/dbraw/zinc/17/52/63/474175263.db2.gz SHSRTPZCMNQILF-IBGZPJMESA-N 1 0 330.472 2.933 40 0 EFABRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1 ZINC000223252435 474181797 /nfs/dbraw/zinc/18/17/97/474181797.db2.gz RKHOSICRNLLGDG-CVEARBPZSA-N 1 0 330.457 2.517 40 0 EFABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1 ZINC000223252541 474182278 /nfs/dbraw/zinc/18/22/78/474182278.db2.gz RKHOSICRNLLGDG-HOTGVXAUSA-N 1 0 330.457 2.517 40 0 EFABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)[nH]1 ZINC000223248659 474182556 /nfs/dbraw/zinc/18/25/56/474182556.db2.gz XRFMPGHEMIAVOY-IRXDYDNUSA-N 1 0 343.500 2.642 40 0 EFABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225410034 474210531 /nfs/dbraw/zinc/21/05/31/474210531.db2.gz DCNPQGNXQZTNPO-UHFFFAOYSA-N 1 0 349.500 2.944 40 0 EFABRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccoc3)cc2)CC1 ZINC000225458022 474213812 /nfs/dbraw/zinc/21/38/12/474213812.db2.gz NSKXIJAPCBCHSQ-UHFFFAOYSA-N 1 0 343.427 2.752 40 0 EFABRO C[NH2+]CC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000225471689 474214605 /nfs/dbraw/zinc/21/46/05/474214605.db2.gz SHFTUDUMIMANOW-SDBXPKJASA-N 1 0 329.263 2.568 40 0 EFABRO O=C(CC1=CCCCC1)N1Cc2ccnn2[C@H](C[NH+]2CCCC2)C1 ZINC000247856512 474216796 /nfs/dbraw/zinc/21/67/96/474216796.db2.gz KVYUEWZVIDONSO-GOSISDBHSA-N 1 0 328.460 2.753 40 0 EFABRO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549813 474223683 /nfs/dbraw/zinc/22/36/83/474223683.db2.gz YOFMMBOGDCXWQS-UONOGXRCSA-N 1 0 332.213 2.780 40 0 EFABRO Cc1ccccc1OCC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225568984 474225045 /nfs/dbraw/zinc/22/50/45/474225045.db2.gz ACNHFZCVLJOAGW-QGZVFWFLSA-N 1 0 348.512 2.708 40 0 EFABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000225562201 474225506 /nfs/dbraw/zinc/22/55/06/474225506.db2.gz WXUQUAMQSKZEIB-UHFFFAOYSA-N 1 0 338.398 2.586 40 0 EFABRO CCOc1ccccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225562525 474225643 /nfs/dbraw/zinc/22/56/43/474225643.db2.gz NPPQLZZMEJMPEK-UHFFFAOYSA-N 1 0 346.471 2.706 40 0 EFABRO COc1cccc(CC(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000225568856 474225742 /nfs/dbraw/zinc/22/57/42/474225742.db2.gz WGWOIGFPXNYOJQ-QGZVFWFLSA-N 1 0 348.512 2.571 40 0 EFABRO c1coc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3Cc2cccnc2)c1 ZINC000247926112 474228279 /nfs/dbraw/zinc/22/82/79/474228279.db2.gz PNQTYYMGKCOXSE-MOPGFXCFSA-N 1 0 327.428 2.540 40 0 EFABRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1F ZINC000225609171 474228499 /nfs/dbraw/zinc/22/84/99/474228499.db2.gz NCKFVOZWAJNQIU-CYBMUJFWSA-N 1 0 328.453 2.534 40 0 EFABRO C[NH+](C)CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000247969992 474234725 /nfs/dbraw/zinc/23/47/25/474234725.db2.gz HJZSKXWSAJSZGL-MNZLEMJZSA-N 1 0 344.455 2.742 40 0 EFABRO Cc1ncsc1CN1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000248001543 474242694 /nfs/dbraw/zinc/24/26/94/474242694.db2.gz CDEYJMXIRZOHAT-ZDUSSCGKSA-N 1 0 333.482 2.985 40 0 EFABRO Cc1occc1C(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCCC1)CO2 ZINC000248027371 474247668 /nfs/dbraw/zinc/24/76/68/474247668.db2.gz OESNOGBIRWSHNH-MRXNPFEDSA-N 1 0 332.444 2.695 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070643 474254838 /nfs/dbraw/zinc/25/48/38/474254838.db2.gz GESCCDCBNGHGCD-ZWKOTPCHSA-N 1 0 343.496 2.927 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)s1 ZINC000248070156 474255242 /nfs/dbraw/zinc/25/52/42/474255242.db2.gz FXMNTOFPJLRWJJ-WMZOPIPTSA-N 1 0 347.484 2.703 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117078 474261236 /nfs/dbraw/zinc/26/12/36/474261236.db2.gz SQXOYEIHHGXUSK-ROUUACIJSA-N 1 0 343.496 2.927 40 0 EFABRO CCc1nnc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000189447727 474401863 /nfs/dbraw/zinc/40/18/63/474401863.db2.gz YOSOSPQLBLGYPD-GXTWGEPZSA-N 1 0 331.445 2.667 40 0 EFABRO O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000248884301 474471267 /nfs/dbraw/zinc/47/12/67/474471267.db2.gz GXVUJKOROBPEGR-GUDVDZBRSA-N 1 0 345.487 2.501 40 0 EFABRO OCc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)o1 ZINC000240465978 474548751 /nfs/dbraw/zinc/54/87/51/474548751.db2.gz GBVSXVMPBMJXET-UHFFFAOYSA-N 1 0 329.322 2.824 40 0 EFABRO CCN(CC)C(=O)c1cccc(NC(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000240244180 474549444 /nfs/dbraw/zinc/54/94/44/474549444.db2.gz DKQQJAATSIGQBO-UHFFFAOYSA-N 1 0 346.475 2.774 40 0 EFABRO Cc1ccc2ncc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3=O)n2c1 ZINC000241470681 474555524 /nfs/dbraw/zinc/55/55/24/474555524.db2.gz NWZQNPJQFYPGCY-SFHVURJKSA-N 1 0 334.423 2.533 40 0 EFABRO COC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242548901 474559306 /nfs/dbraw/zinc/55/93/06/474559306.db2.gz MANRXEBQSVJHMS-IPMKNSEASA-N 1 0 345.464 2.526 40 0 EFABRO [NH3+][C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242463414 474560552 /nfs/dbraw/zinc/56/05/52/474560552.db2.gz DAILXBGNKDRPOR-RBSFLKMASA-N 1 0 325.792 2.746 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000245289568 474573092 /nfs/dbraw/zinc/57/30/92/474573092.db2.gz CSRGGITVCGAXDQ-IRXDYDNUSA-N 1 0 337.508 2.804 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000245289569 474573569 /nfs/dbraw/zinc/57/35/69/474573569.db2.gz CSRGGITVCGAXDQ-SJORKVTESA-N 1 0 337.508 2.804 40 0 EFABRO CCO[C@@H](CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000245358638 474574356 /nfs/dbraw/zinc/57/43/56/474574356.db2.gz ZZKAAJQENLMIMB-ROUUACIJSA-N 1 0 337.508 2.852 40 0 EFABRO C[N@H+](CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000245344129 474574525 /nfs/dbraw/zinc/57/45/25/474574525.db2.gz XSHCOXSRGLRSBM-BBRMVZONSA-N 1 0 344.484 2.664 40 0 EFABRO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000245344036 474574775 /nfs/dbraw/zinc/57/47/75/474574775.db2.gz WZDWGULRTBJRKJ-QZMQVMSPSA-N 1 0 335.517 2.720 40 0 EFABRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc(O[C@@H]2CCOC2)n1 ZINC000252486710 474673677 /nfs/dbraw/zinc/67/36/77/474673677.db2.gz MJJHHRVEIZDTTJ-UKBAYJJMSA-N 1 0 344.455 2.687 40 0 EFABRO c1ccc(C[NH+]2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000252488906 474675850 /nfs/dbraw/zinc/67/58/50/474675850.db2.gz JBKLVKMRSJDFEB-UHFFFAOYSA-N 1 0 336.483 2.868 40 0 EFABRO CC(C)(C)SCC[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000252494411 474678740 /nfs/dbraw/zinc/67/87/40/474678740.db2.gz NURZPVCCPZOSCY-NSHDSACASA-N 1 0 326.428 2.909 40 0 EFABRO CC(C)(C)SCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000252502623 474682993 /nfs/dbraw/zinc/68/29/93/474682993.db2.gz URSKYIDFNNQIMX-UHFFFAOYSA-N 1 0 332.464 2.928 40 0 EFABRO C[C@@H]1C[C@H](CNC(=O)NCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000252509605 474687578 /nfs/dbraw/zinc/68/75/78/474687578.db2.gz YRHIYRIADNKISI-SJLPKXTDSA-N 1 0 345.487 2.501 40 0 EFABRO COC(=O)CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252511299 474689655 /nfs/dbraw/zinc/68/96/55/474689655.db2.gz ZXGVCFUBRPSVAM-DOTOQJQBSA-N 1 0 346.471 2.745 40 0 EFABRO C[N@@H+]1CC[C@H](Nc2nccn3c2nnc3C2CC2)[C@H]1c1ccccc1 ZINC000252540592 474696260 /nfs/dbraw/zinc/69/62/60/474696260.db2.gz PPAIESSKKICYPF-JKSUJKDBSA-N 1 0 334.427 2.859 40 0 EFABRO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252581806 474697577 /nfs/dbraw/zinc/69/75/77/474697577.db2.gz MUABDEMJMCWDES-CEXWTWQISA-N 1 0 345.487 2.512 40 0 EFABRO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252572224 474698393 /nfs/dbraw/zinc/69/83/93/474698393.db2.gz YZSFABCRSHPGQK-CZUORRHYSA-N 1 0 344.484 2.829 40 0 EFABRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000252587349 474699449 /nfs/dbraw/zinc/69/94/49/474699449.db2.gz XQDRJLYGENAHLF-HIFRSBDPSA-N 1 0 328.503 2.557 40 0 EFABRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000252587350 474699822 /nfs/dbraw/zinc/69/98/22/474699822.db2.gz XQDRJLYGENAHLF-ZFWWWQNUSA-N 1 0 328.503 2.557 40 0 EFABRO C[C@@H]1CC[C@H]([NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)C[C@H]1C ZINC000253370301 474727414 /nfs/dbraw/zinc/72/74/14/474727414.db2.gz PANPJNAPCFQZKI-GUIRCDHDSA-N 1 0 333.398 2.974 40 0 EFABRO CSc1cncc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000253370422 474727607 /nfs/dbraw/zinc/72/76/07/474727607.db2.gz QTTPLQCQJRXXKO-UKRRQHHQSA-N 1 0 329.473 2.916 40 0 EFABRO COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1=O ZINC000253370599 474728105 /nfs/dbraw/zinc/72/81/05/474728105.db2.gz SZJBLFAIOLAPSK-LBTBCDHLSA-N 1 0 344.455 2.594 40 0 EFABRO O=S1(=O)CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000253370513 474728177 /nfs/dbraw/zinc/72/81/77/474728177.db2.gz RWPMSARSHJBIGH-BHYGNILZSA-N 1 0 337.485 2.826 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000253369963 474728853 /nfs/dbraw/zinc/72/88/53/474728853.db2.gz KOCWEBUPPALMJV-RAKLQZGLSA-N 1 0 344.455 2.960 40 0 EFABRO Cc1cc(N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)cc[nH+]1 ZINC000253417165 474742415 /nfs/dbraw/zinc/74/24/15/474742415.db2.gz ISIXECAMIGVLTA-KRWDZBQOSA-N 1 0 341.459 2.633 40 0 EFABRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ncccc2OC)cc1 ZINC000253418369 474745081 /nfs/dbraw/zinc/74/50/81/474745081.db2.gz MZZOMSZDCBSXNK-OAHLLOKOSA-N 1 0 344.415 2.523 40 0 EFABRO Cc1nc(C2CC2)oc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000253420189 474746330 /nfs/dbraw/zinc/74/63/30/474746330.db2.gz VBGQKRUYKBGSPB-UHFFFAOYSA-N 1 0 347.459 2.625 40 0 EFABRO Cn1cc(CCC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000253419156 474746949 /nfs/dbraw/zinc/74/69/49/474746949.db2.gz KAURBZDLHIRLQL-QAPCUYQASA-N 1 0 346.500 2.614 40 0 EFABRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](C)C2)s1 ZINC000253419939 474747310 /nfs/dbraw/zinc/74/73/10/474747310.db2.gz SYWVYLUYTKRSJE-JOYOIKCWSA-N 1 0 335.395 2.731 40 0 EFABRO Cn1cc(CCC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000253419153 474747919 /nfs/dbraw/zinc/74/79/19/474747919.db2.gz KAURBZDLHIRLQL-CRAIPNDOSA-N 1 0 346.500 2.614 40 0 EFABRO COC(=O)c1cccc(-c2nc(CN3CCCC[C@H]3CO)cs2)c1 ZINC000253425708 474751515 /nfs/dbraw/zinc/75/15/15/474751515.db2.gz DRACQNOTCPBXBJ-INIZCTEOSA-N 1 0 346.452 2.944 40 0 EFABRO COC[C@H]1CC[N@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000306127866 474806528 /nfs/dbraw/zinc/80/65/28/474806528.db2.gz GJNUMUMHJUZHRV-INIZCTEOSA-N 1 0 325.456 2.777 40 0 EFABRO CC[C@H](C)C[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccco3)n12 ZINC000306128926 474807856 /nfs/dbraw/zinc/80/78/56/474807856.db2.gz HOMAUCPGNWBLJN-HNNXBMFYSA-N 1 0 343.475 2.821 40 0 EFABRO CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000306134176 474808781 /nfs/dbraw/zinc/80/87/81/474808781.db2.gz NFDNXTGZJFUROZ-MRXNPFEDSA-N 1 0 340.471 2.640 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141489 474811477 /nfs/dbraw/zinc/81/14/77/474811477.db2.gz VXUVCJLCDWCHPP-GOEBONIOSA-N 1 0 339.468 2.649 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141491 474811711 /nfs/dbraw/zinc/81/17/11/474811711.db2.gz VXUVCJLCDWCHPP-ZBFHGGJFSA-N 1 0 339.468 2.649 40 0 EFABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cncs2)cc1 ZINC000257257926 474928193 /nfs/dbraw/zinc/92/81/93/474928193.db2.gz KRRHDIKFJSPJKO-OAHLLOKOSA-N 1 0 331.441 2.717 40 0 EFABRO Cc1ncc(CN2CC[NH2+]C[C@@H]2c2ccc(OC(C)C)cc2)cn1 ZINC000257283549 474931447 /nfs/dbraw/zinc/93/14/47/474931447.db2.gz OYUQZAHYIVPTHW-LJQANCHMSA-N 1 0 326.444 2.719 40 0 EFABRO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@H+](CCO)C3)n2)sc1C ZINC000257283765 474931984 /nfs/dbraw/zinc/93/19/84/474931984.db2.gz OZUCNBZPIWJXRB-AWEZNQCLSA-N 1 0 347.488 2.774 40 0 EFABRO C[N@@H+]1CCCN(C(=O)c2ccc(Cc3cccc(F)c3)nc2)CC1 ZINC000257285623 474932147 /nfs/dbraw/zinc/93/21/47/474932147.db2.gz PIAAXFUFGQVMQT-UHFFFAOYSA-N 1 0 327.403 2.589 40 0 EFABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000257285952 474932579 /nfs/dbraw/zinc/93/25/79/474932579.db2.gz PJNMQJOYLAMLMU-KRWDZBQOSA-N 1 0 339.439 2.719 40 0 EFABRO COCCN1C(=O)CCC[C@H]2C[N@@H+](Cc3ccccc3OC)CC[C@H]21 ZINC000257288713 474933670 /nfs/dbraw/zinc/93/36/70/474933670.db2.gz PVGPZKBWSPAHLT-FUHWJXTLSA-N 1 0 346.471 2.545 40 0 EFABRO O=C(N1CCCC1)[C@]1(c2cnccn2)CCC[N@@H+]1C1CCCCC1 ZINC000257288941 474934610 /nfs/dbraw/zinc/93/46/10/474934610.db2.gz PWIPBROEAAUGQQ-LJQANCHMSA-N 1 0 328.460 2.723 40 0 EFABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000257290135 474935395 /nfs/dbraw/zinc/93/53/95/474935395.db2.gz QBSOOTUDJJOEBI-IBGZPJMESA-N 1 0 348.462 2.766 40 0 EFABRO Cn1cncc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257294817 474936065 /nfs/dbraw/zinc/93/60/65/474936065.db2.gz QVWGTDIDOYKBGN-CYBMUJFWSA-N 1 0 340.456 2.713 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(C)s2)cc1 ZINC000257293694 474937235 /nfs/dbraw/zinc/93/72/35/474937235.db2.gz QQTAQGDCUDACKJ-KRWDZBQOSA-N 1 0 330.453 2.781 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 ZINC000257295400 474938811 /nfs/dbraw/zinc/93/88/11/474938811.db2.gz QYDZFUMTKLISAY-KRWDZBQOSA-N 1 0 342.418 2.584 40 0 EFABRO Cn1cncc1-c1cncc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257300762 474940217 /nfs/dbraw/zinc/94/02/17/474940217.db2.gz RVPCCTOOHPQWFG-INIZCTEOSA-N 1 0 334.427 2.652 40 0 EFABRO Cc1nc([C@@H]2CCCN(C(=O)c3cncs3)C2)cc2c[nH+]cn21 ZINC000257299088 474941058 /nfs/dbraw/zinc/94/10/58/474941058.db2.gz RORQTSHUNLRBPL-GFCCVEGCSA-N 1 0 327.413 2.514 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)[nH+]1 ZINC000257309080 474944630 /nfs/dbraw/zinc/94/46/30/474944630.db2.gz TZLMMPYGELBZQV-IBGZPJMESA-N 1 0 348.406 2.734 40 0 EFABRO C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257311735 474948125 /nfs/dbraw/zinc/94/81/25/474948125.db2.gz UKUBNRZSTKLCQQ-MRXNPFEDSA-N 1 0 335.455 2.564 40 0 EFABRO CCCn1ccc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)n1 ZINC000257315771 474949160 /nfs/dbraw/zinc/94/91/60/474949160.db2.gz VCSGNEUODJMBAW-GOSISDBHSA-N 1 0 341.459 2.727 40 0 EFABRO Cc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257314039 474949431 /nfs/dbraw/zinc/94/94/31/474949431.db2.gz UVCQORSALYQSLU-KRWDZBQOSA-N 1 0 342.418 2.550 40 0 EFABRO CNc1cc([C@@H]2CCCN2C(=O)c2cccc3c2OCCO3)ccn1 ZINC000257320816 474950594 /nfs/dbraw/zinc/95/05/94/474950594.db2.gz VYTUIBIPDOXBNW-HNNXBMFYSA-N 1 0 339.395 2.872 40 0 EFABRO Cc1nc(C(=O)N(c2ccccc2)[C@H]2COC3(C2)CC[NH2+]CC3)co1 ZINC000257319613 474951911 /nfs/dbraw/zinc/95/19/11/474951911.db2.gz VTGXUKZBSJZJSC-MRXNPFEDSA-N 1 0 341.411 2.541 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)c1 ZINC000257317500 474952039 /nfs/dbraw/zinc/95/20/39/474952039.db2.gz VJYUCVMXZGZPKB-SFHVURJKSA-N 1 0 343.402 2.713 40 0 EFABRO Cc1cccnc1Nc1nccnc1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000257318021 474952235 /nfs/dbraw/zinc/95/22/35/474952235.db2.gz VMDURURXXPJPPH-INIZCTEOSA-N 1 0 339.443 2.892 40 0 EFABRO C[C@]1(COc2cccnc2)C[C@@H]2C[N@H+](Cc3cncs3)CC[C@@H]2O1 ZINC000257320848 474953825 /nfs/dbraw/zinc/95/38/25/474953825.db2.gz VYVGOYYOECYOLD-FHLIZLRMSA-N 1 0 345.468 2.987 40 0 EFABRO C[N@H+](CCC(=O)N1CCC[C@H](c2nccs2)C1)Cc1cccnc1 ZINC000257323280 474954158 /nfs/dbraw/zinc/95/41/58/474954158.db2.gz WJMIKVOOGZUDCY-INIZCTEOSA-N 1 0 344.484 2.766 40 0 EFABRO c1cc(CN2CCC([NH+]3CCCCC3)CC2)nc([C@H]2CCCO2)n1 ZINC000257329304 474956703 /nfs/dbraw/zinc/95/67/03/474956703.db2.gz XJHNOAAEPOAJTQ-GOSISDBHSA-N 1 0 330.476 2.778 40 0 EFABRO Cn1cc(C[N@H+]2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cn1 ZINC000257331389 474959675 /nfs/dbraw/zinc/95/96/75/474959675.db2.gz XSQJSDAAJVJUMQ-QYZOEREBSA-N 1 0 338.455 2.795 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257336993 474961097 /nfs/dbraw/zinc/96/10/97/474961097.db2.gz YQXPBYDXPCXVDE-LJQANCHMSA-N 1 0 348.406 2.734 40 0 EFABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257337590 474961453 /nfs/dbraw/zinc/96/14/53/474961453.db2.gz YTKTZGSCNXUISI-MRXNPFEDSA-N 1 0 340.475 2.563 40 0 EFABRO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cs1 ZINC000257337600 474962142 /nfs/dbraw/zinc/96/21/42/474962142.db2.gz YTMVAGQMMLTRSF-BFYDXBDKSA-N 1 0 336.501 2.931 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)c3)C2)cn1 ZINC000257338617 474963165 /nfs/dbraw/zinc/96/31/65/474963165.db2.gz YYEIZIVDHPUWSE-KRWDZBQOSA-N 1 0 349.442 2.728 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257340719 474963802 /nfs/dbraw/zinc/96/38/02/474963802.db2.gz ZHHDHIJNRSIVQJ-GOSISDBHSA-N 1 0 338.455 2.993 40 0 EFABRO Brc1cccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000330031902 475187584 /nfs/dbraw/zinc/18/75/84/475187584.db2.gz FRXPFVQAEIWIBW-CYBMUJFWSA-N 1 0 325.250 2.608 40 0 EFABRO Brc1cccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000330031903 475188291 /nfs/dbraw/zinc/18/82/91/475188291.db2.gz FRXPFVQAEIWIBW-ZDUSSCGKSA-N 1 0 325.250 2.608 40 0 EFABRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000333646456 475991177 /nfs/dbraw/zinc/99/11/77/475991177.db2.gz JAYAWJODNLQVRH-KEYYUXOJSA-N 1 0 341.459 2.927 40 0 EFABRO COCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000390833302 476805231 /nfs/dbraw/zinc/80/52/31/476805231.db2.gz FUKBRGUGVVWCDB-RTBURBONSA-N 1 0 342.483 2.926 40 0 EFABRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Nc1ccccc1C(C)(F)F ZINC000455791157 477753034 /nfs/dbraw/zinc/75/30/34/477753034.db2.gz OLZKIOIWMBQTGV-IUODEOHRSA-N 1 0 341.402 2.717 40 0 EFABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3F)CCN2C(C)(C)C1 ZINC000514288738 479021356 /nfs/dbraw/zinc/02/13/56/479021356.db2.gz DIRHFRQFRFGCSQ-MRXNPFEDSA-N 1 0 347.478 2.702 40 0 biogenic,in-vitro EFABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288599 479021501 /nfs/dbraw/zinc/02/15/01/479021501.db2.gz FPUDQXNMIKSCQI-OCCSQVGLSA-N 1 0 328.334 2.633 40 0 biogenic,in-vitro EFABRO Cc1ccccc1C(=O)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000585099992 479282442 /nfs/dbraw/zinc/28/24/42/479282442.db2.gz CWWPWPYJHCMXIA-QGZVFWFLSA-N 1 0 328.456 2.855 40 0 EFABRO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3C)CC2)nc2ccccn12 ZINC000585100741 479282758 /nfs/dbraw/zinc/28/27/58/479282758.db2.gz VCFKWYFVSOMCOZ-LJQANCHMSA-N 1 0 326.444 2.620 40 0 EFABRO Cc1ccc(C[N@H+]2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)o1 ZINC000585099052 479282862 /nfs/dbraw/zinc/28/28/62/479282862.db2.gz GWSLNNBSIBDDEH-QGZVFWFLSA-N 1 0 341.455 2.938 40 0 EFABRO CC[N@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1O)CC2 ZINC000585103005 479284636 /nfs/dbraw/zinc/28/46/36/479284636.db2.gz BAJJCAHTEODVBK-MRXNPFEDSA-N 1 0 346.471 2.664 40 0 EFABRO CC[N@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103086 479284945 /nfs/dbraw/zinc/28/49/45/479284945.db2.gz CPOUTDGAUIOLLG-GOSISDBHSA-N 1 0 330.472 2.958 40 0 EFABRO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585104360 479285932 /nfs/dbraw/zinc/28/59/32/479285932.db2.gz LCMDMFXSHBOPAJ-FQEVSTJZSA-N 1 0 330.472 2.702 40 0 EFABRO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C[N@H+]2CCC(C)C)C1 ZINC000585107916 479286965 /nfs/dbraw/zinc/28/69/65/479286965.db2.gz FOHHLIJOUQITCQ-IAGOWNOFSA-N 1 0 336.501 2.736 40 0 EFABRO CC[C@@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109731 479287547 /nfs/dbraw/zinc/28/75/47/479287547.db2.gz MJGBJUAWEMFZMO-MMYVSLSJSA-N 1 0 342.483 2.690 40 0 EFABRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](c2ncc[nH]2)C1 ZINC000585141160 479298674 /nfs/dbraw/zinc/29/86/74/479298674.db2.gz QKYRMNRCSUVWMN-RYUDHWBXSA-N 1 0 341.440 2.836 40 0 EFABRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](c2ncc[nH]2)C1 ZINC000585141161 479298922 /nfs/dbraw/zinc/29/89/22/479298922.db2.gz QKYRMNRCSUVWMN-VXGBXAGGSA-N 1 0 341.440 2.836 40 0 EFABRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2ncccn2)[C@@H]1C ZINC000585141590 479299293 /nfs/dbraw/zinc/29/92/93/479299293.db2.gz DDVLYRWZHZUYFE-RBSFLKMASA-N 1 0 334.464 2.990 40 0 EFABRO COc1ncc(C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cn1 ZINC000585269434 479303166 /nfs/dbraw/zinc/30/31/66/479303166.db2.gz UGLTVECHCZCDOO-NVXWUHKLSA-N 1 0 347.846 2.564 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000585261149 479303257 /nfs/dbraw/zinc/30/32/57/479303257.db2.gz STPKGCAGHRVTHY-OAHLLOKOSA-N 1 0 342.468 2.790 40 0 EFABRO CCn1nc(C)c(C[N@@H+]2CC[C@](O)(COc3cccc(F)c3)C2)c1C ZINC000585273392 479305113 /nfs/dbraw/zinc/30/51/13/479305113.db2.gz ULHQOSFCCZTBFY-LJQANCHMSA-N 1 0 347.434 2.675 40 0 EFABRO CC(C)N1CC[NH+]([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585284432 479308068 /nfs/dbraw/zinc/30/80/68/479308068.db2.gz IKZJHUWMUVUTPR-IPMKNSEASA-N 1 0 336.451 2.513 40 0 EFABRO O[C@]1(COc2ccc(F)c(F)c2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585281127 479308085 /nfs/dbraw/zinc/30/80/85/479308085.db2.gz FFRLDMJNUJRECI-SFHVURJKSA-N 1 0 341.398 2.740 40 0 EFABRO Cc1cc(OC[C@@]2(O)C[N@@H+](C3CCCCC3)CC[C@@H]2O)ccc1F ZINC000585283642 479308266 /nfs/dbraw/zinc/30/82/66/479308266.db2.gz SUDILHCFSCPMFP-OALUTQOASA-N 1 0 337.435 2.643 40 0 EFABRO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@@H+](C2CCCC2)C1 ZINC000585281773 479308354 /nfs/dbraw/zinc/30/83/54/479308354.db2.gz APLFVKRCCBRCQI-KRWDZBQOSA-N 1 0 343.826 2.864 40 0 EFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000585289417 479309294 /nfs/dbraw/zinc/30/92/94/479309294.db2.gz QTGPGFIWWQQSDP-IPMKNSEASA-N 1 0 347.434 2.753 40 0 EFABRO CNC(=O)[C@]1(C)CCC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585285361 479309855 /nfs/dbraw/zinc/30/98/55/479309855.db2.gz XYBGETDCYJOAOD-NRSPTQNISA-N 1 0 344.499 2.923 40 0 EFABRO Cc1ccc(O[C@@H]2CCC[C@H](C[NH2+]C3CCN(C)CC3)[C@H]2O)cc1 ZINC000585285496 479309983 /nfs/dbraw/zinc/30/99/83/479309983.db2.gz DUDXDSMTAPIDAK-NSISKUIASA-N 1 0 332.488 2.587 40 0 EFABRO C[NH+](C)C/C=C/C(=O)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000585290110 479310559 /nfs/dbraw/zinc/31/05/59/479310559.db2.gz SGFYTYNGABEGDP-YEOQHMQRSA-N 1 0 328.456 2.558 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1ccnc2ccccc12 ZINC000585293367 479310609 /nfs/dbraw/zinc/31/06/09/479310609.db2.gz VPZGUJIENIAZLN-HMXCVIKNSA-N 1 0 334.419 2.556 40 0 EFABRO Cc1cc(C)n(CC[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)n1 ZINC000585290066 479310948 /nfs/dbraw/zinc/31/09/48/479310948.db2.gz ZLILFAZFHPKCOZ-IPMKNSEASA-N 1 0 347.434 2.590 40 0 EFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCC1(O)CCCC1 ZINC000585289948 479311201 /nfs/dbraw/zinc/31/12/01/479311201.db2.gz YCVLHPPCFFZERJ-RCCFBDPRSA-N 1 0 337.435 2.771 40 0 EFABRO Cc1ccoc1C(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCCCC1)CO2 ZINC000575402791 479437215 /nfs/dbraw/zinc/43/72/15/479437215.db2.gz CTRZGMIMILQDEI-INIZCTEOSA-N 1 0 332.444 2.695 40 0 EFABRO CCN(C(=O)c1ccncc1)[C@@H]1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000257288562 535703289 /nfs/dbraw/zinc/70/32/89/535703289.db2.gz PURRHSWINKAQIJ-GOSISDBHSA-N 1 0 345.487 2.966 40 0 EFABRO CCn1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)c(C)n1 ZINC000257221530 536029862 /nfs/dbraw/zinc/02/98/62/536029862.db2.gz DPLGSOYQYZVFPM-OAHLLOKOSA-N 1 0 341.459 2.611 40 0 EFABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 ZINC000257220337 536039846 /nfs/dbraw/zinc/03/98/46/536039846.db2.gz DKLCULCVRRUKJS-QGZVFWFLSA-N 1 0 340.427 2.986 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2ccccc2F)n1 ZINC000257265989 536049729 /nfs/dbraw/zinc/04/97/29/536049729.db2.gz MBDNRAIJZDQRQG-INIZCTEOSA-N 1 0 328.391 2.655 40 0 EFABRO CN1C(=O)CCC[C@@H]2C[N@@H+](CCCOc3ccccc3F)CC[C@H]21 ZINC000257266110 536306901 /nfs/dbraw/zinc/30/69/01/536306901.db2.gz MBPZXQZOKQIUDG-NVXWUHKLSA-N 1 0 334.435 2.927 40 0 EFABRO CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)CC2CCOCC2)CC1 ZINC000585091038 546371019 /nfs/dbraw/zinc/37/10/19/546371019.db2.gz NHMCDJGCMLXHMS-OAHLLOKOSA-N 1 0 325.497 2.707 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595868 1249167271 /nfs/dbraw/zinc/16/72/71/1249167271.db2.gz PKSYFZBTYFLDFX-DYXWJJEUSA-N 1 0 348.446 2.883 40 0 EFABRO CCc1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC000104488056 722012603 /nfs/dbraw/zinc/01/26/03/722012603.db2.gz RLWIFUPNIAYBOS-UHFFFAOYSA-N 1 0 337.471 2.927 40 0 EFABRO CC(C)OCCC[NH2+][C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000017084934 1099328906 /nfs/dbraw/zinc/32/89/06/1099328906.db2.gz QQGIRFUVNRRIQV-QGZVFWFLSA-N 1 0 332.444 2.847 40 0 EFABRO CCn1nc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000028239722 1099450744 /nfs/dbraw/zinc/45/07/44/1099450744.db2.gz QIJZESBDYBSBKN-UHFFFAOYSA-N 1 0 341.459 2.524 40 0 EFABRO c1cncc(-c2nc(CC[C@H]3CCC[N@@H+](C4CCOCC4)C3)no2)c1 ZINC000675024433 1099682261 /nfs/dbraw/zinc/68/22/61/1099682261.db2.gz GZLUHILNDRHHPC-OAHLLOKOSA-N 1 0 342.443 2.955 40 0 EFABRO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000055374408 214313978 /nfs/dbraw/zinc/31/39/78/214313978.db2.gz BYZIUDKSAIYKBZ-FGTMMUONSA-N 1 0 346.496 2.514 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000173929575 231073364 /nfs/dbraw/zinc/07/33/64/231073364.db2.gz YIGDQVPYCDZSSH-CYBMUJFWSA-N 1 0 333.461 2.875 40 0 EFABRO Cc1ncsc1C[N@H+]1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953507 219063905 /nfs/dbraw/zinc/06/39/05/219063905.db2.gz LRYJCRAMEBDRJN-DAYGRLMNSA-N 1 0 344.484 2.938 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]2O1 ZINC000097953807 219064571 /nfs/dbraw/zinc/06/45/71/219064571.db2.gz ALRQYZZNVUXDRB-IAOVAPTHSA-N 1 0 343.452 2.761 40 0 EFABRO C[N@@H+]1CCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000098079106 219080274 /nfs/dbraw/zinc/08/02/74/219080274.db2.gz TXKCWCNSBCSLFF-UHFFFAOYSA-N 1 0 334.423 2.803 40 0 EFABRO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000004395054 210188003 /nfs/dbraw/zinc/18/80/03/210188003.db2.gz RBEGQGAMZNZTNU-UHFFFAOYSA-N 1 0 336.482 2.691 40 0 EFABRO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000004279507 210160276 /nfs/dbraw/zinc/16/02/76/210160276.db2.gz XOOKMKTWIXOUPA-JSGCOSHPSA-N 1 0 328.250 2.921 40 0 EFABRO Cc1cccc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)c1 ZINC000004116276 210123685 /nfs/dbraw/zinc/12/36/85/210123685.db2.gz RSLLALOQYURUGS-KRWDZBQOSA-N 1 0 325.432 2.831 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1cccc(C)c1 ZINC000004116269 210123749 /nfs/dbraw/zinc/12/37/49/210123749.db2.gz UIAXCPGPZMQWRW-MRXNPFEDSA-N 1 0 325.432 2.777 40 0 EFABRO COC(=O)[C@@H]1C[C@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 ZINC000003786417 210075217 /nfs/dbraw/zinc/07/52/17/210075217.db2.gz IYLRRIUNGGQRTN-KJRRRBQDSA-N 1 0 338.451 2.930 40 0 biogenic,in-vitro EFABRO CC[N@@H+]1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003635095 210068656 /nfs/dbraw/zinc/06/86/56/210068656.db2.gz LINSZIYEKJQFMG-GOSISDBHSA-N 1 0 325.408 2.560 40 0 in-vitro EFABRO Cc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CC[NH2+]CC3)n2)cc1 ZINC000067898690 215245196 /nfs/dbraw/zinc/24/51/96/215245196.db2.gz AIMNYODWXASLKS-SFHVURJKSA-N 1 0 326.444 2.510 40 0 biogenic,in-vitro EFABRO O=C(Nc1ccc2nncn2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179628446 233254319 /nfs/dbraw/zinc/25/43/19/233254319.db2.gz BOEDAPMTJQUYTO-INIZCTEOSA-N 1 0 335.411 2.580 40 0 EFABRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)cc(Br)c1 ZINC000040107258 213266157 /nfs/dbraw/zinc/26/61/57/213266157.db2.gz SRXTYKRZCKPAJQ-UHFFFAOYSA-N 1 0 331.229 2.906 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCC(C)C)cc2)CC1 ZINC000040115275 213268626 /nfs/dbraw/zinc/26/86/26/213268626.db2.gz CNAFBEXFRXBWOE-UHFFFAOYSA-N 1 0 331.504 2.877 40 0 EFABRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000040089748 213261720 /nfs/dbraw/zinc/26/17/20/213261720.db2.gz JLMSUJXNEVMFKR-UHFFFAOYSA-N 1 0 327.403 2.825 40 0 EFABRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000040013511 213249607 /nfs/dbraw/zinc/24/96/07/213249607.db2.gz BDNZQEFXDKBMTH-UYAOXDASSA-N 1 0 336.435 2.943 40 0 EFABRO Oc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000036740086 213114524 /nfs/dbraw/zinc/11/45/24/213114524.db2.gz NYMVPJYCHDXHOF-UHFFFAOYSA-N 1 0 341.455 2.512 40 0 EFABRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000036612905 213101574 /nfs/dbraw/zinc/10/15/74/213101574.db2.gz IEWGKPRVTPOPGO-SNVBAGLBSA-N 1 0 328.840 2.737 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000187263941 236161694 /nfs/dbraw/zinc/16/16/94/236161694.db2.gz VPFLNZXZNNKYPO-IBGZPJMESA-N 1 0 345.487 2.849 40 0 EFABRO Cc1ccccc1OCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928483 215724365 /nfs/dbraw/zinc/72/43/65/215724365.db2.gz DBTAVVGPUTZRKS-UHFFFAOYSA-N 1 0 339.439 2.802 40 0 EFABRO CC[NH+](CC)CCNC(=O)c1ccn(COc2cc(C)ccc2C)n1 ZINC000035670821 213045306 /nfs/dbraw/zinc/04/53/06/213045306.db2.gz GELVHIUNNCUNFV-UHFFFAOYSA-N 1 0 344.459 2.608 40 0 EFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4cc(C)ccc4o3)C2)CC1 ZINC000035446525 213029287 /nfs/dbraw/zinc/02/92/87/213029287.db2.gz UCGUIIUUKGUZRY-HNNXBMFYSA-N 1 0 327.428 2.936 40 0 biogenic,in-vitro EFABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000035189290 213013546 /nfs/dbraw/zinc/01/35/46/213013546.db2.gz IZWKBHMVRKCCRM-DTXAGUPXSA-N 1 0 327.509 2.934 40 0 EFABRO OCC[NH2+]CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000032578087 212812191 /nfs/dbraw/zinc/81/21/91/212812191.db2.gz ZUDRXSBOADJAHG-UHFFFAOYSA-N 1 0 329.227 2.925 40 0 EFABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355422 216164960 /nfs/dbraw/zinc/16/49/60/216164960.db2.gz DPSMOCSTKPTINE-MRXNPFEDSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1ccsc1C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000072339848 216156932 /nfs/dbraw/zinc/15/69/32/216156932.db2.gz CEFGMRJGCXYCRI-UHFFFAOYSA-N 1 0 338.436 2.760 40 0 EFABRO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1cccc(O)c1)CC2 ZINC000072339840 216158179 /nfs/dbraw/zinc/15/81/79/216158179.db2.gz SMPMRPPSJBXSBW-UHFFFAOYSA-N 1 0 334.379 2.508 40 0 EFABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350564 216161653 /nfs/dbraw/zinc/16/16/53/216161653.db2.gz LSIKAEWBUTWBDU-MRXNPFEDSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072353677 216162171 /nfs/dbraw/zinc/16/21/71/216162171.db2.gz DWWWKJKISCLECO-MRXNPFEDSA-N 1 0 348.454 2.960 40 0 EFABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355435 216163841 /nfs/dbraw/zinc/16/38/41/216163841.db2.gz ODWUFHNZWHXGQD-QGZVFWFLSA-N 1 0 348.454 2.999 40 0 EFABRO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365923 216171788 /nfs/dbraw/zinc/17/17/88/216171788.db2.gz GRSRQKLZASBSIE-HNNXBMFYSA-N 1 0 342.418 2.663 40 0 EFABRO Cc1cc(C(=O)NCCc2ccccc2)nc(C2CC[NH+](C)CC2)n1 ZINC000072365771 216172228 /nfs/dbraw/zinc/17/22/28/216172228.db2.gz MSEGTOHPHVUEGY-UHFFFAOYSA-N 1 0 338.455 2.567 40 0 EFABRO NC(=O)CCc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000072360824 216167865 /nfs/dbraw/zinc/16/78/65/216167865.db2.gz OJCHSVWETBMLQX-GOSISDBHSA-N 1 0 327.403 2.976 40 0 EFABRO Cc1nccc(C2(C)CCN(C(=O)[C@@]3(C)CCCC[N@H+]3C)CC2)n1 ZINC000072367339 216175151 /nfs/dbraw/zinc/17/51/51/216175151.db2.gz BFSHSFWPKRWPTD-LJQANCHMSA-N 1 0 330.476 2.540 40 0 EFABRO Cc1cc(CCC(=O)Nc2cn[nH]c2)nc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366857 216173395 /nfs/dbraw/zinc/17/33/95/216173395.db2.gz NCBDGSLFXYVIEC-INIZCTEOSA-N 1 0 342.447 2.625 40 0 EFABRO c1cncc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)c1 ZINC000072377645 216178808 /nfs/dbraw/zinc/17/88/08/216178808.db2.gz ICBOTLZQBXJAKQ-INIZCTEOSA-N 1 0 347.426 2.785 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384390 216185750 /nfs/dbraw/zinc/18/57/50/216185750.db2.gz ACKGNGQNOTZINI-OAHLLOKOSA-N 1 0 344.390 2.809 40 0 EFABRO C[NH2+]CC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccccc2)n1 ZINC000072384513 216185854 /nfs/dbraw/zinc/18/58/54/216185854.db2.gz XCXVRLPWQMGBEB-INIZCTEOSA-N 1 0 340.427 2.850 40 0 EFABRO COCCNc1cc([C@H]2CC[N@@H+]2CCc2ccccc2)nc(C)n1 ZINC000072387526 216186219 /nfs/dbraw/zinc/18/62/19/216186219.db2.gz IPAAEZFEXUDHHG-GOSISDBHSA-N 1 0 326.444 2.833 40 0 EFABRO Cc1ncc(CN2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)n1C ZINC000072394181 216192100 /nfs/dbraw/zinc/19/21/00/216192100.db2.gz JFGRJNGVMQOZAP-UHFFFAOYSA-N 1 0 340.471 2.588 40 0 EFABRO Cc1cc(-c2cc3nc(C)c(C)c(NCCC[NH+](C)C)n3n2)no1 ZINC000072396610 216192597 /nfs/dbraw/zinc/19/25/97/216192597.db2.gz DBHODSZQUHILAO-UHFFFAOYSA-N 1 0 328.420 2.673 40 0 EFABRO CN1CCC[NH+]=C1COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000000057439 209392936 /nfs/dbraw/zinc/39/29/36/209392936.db2.gz DUDKAZCAISNGQN-FQEVSTJZSA-N 1 0 344.455 2.732 40 0 world EFABRO CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000129771466 223090285 /nfs/dbraw/zinc/09/02/85/223090285.db2.gz YKDWXLJRCRRJQD-UHFFFAOYSA-N 1 0 339.852 2.884 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 ZINC000130220180 223134635 /nfs/dbraw/zinc/13/46/35/223134635.db2.gz GZBYOZGHBWJSMR-LLVKDONJSA-N 1 0 345.365 2.520 40 0 EFABRO Oc1cccc([C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190283875 238358254 /nfs/dbraw/zinc/35/82/54/238358254.db2.gz CLJFFXGASRBAJM-SFHVURJKSA-N 1 0 333.428 2.699 40 0 EFABRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)cc(Cl)c1OCC(N)=O ZINC000027396282 212555412 /nfs/dbraw/zinc/55/54/12/212555412.db2.gz JKXQPLJRARLPSN-BXUZGUMPSA-N 1 0 340.851 2.881 40 0 EFABRO COc1cc(C[NH2+][C@@H](C)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000072727490 216299556 /nfs/dbraw/zinc/29/95/56/216299556.db2.gz XERGJYFTSIRHTQ-AWEZNQCLSA-N 1 0 332.444 2.585 40 0 EFABRO CN(C)c1ccc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000026439264 212519757 /nfs/dbraw/zinc/51/97/57/212519757.db2.gz VOXIGLILQGVZGA-UHFFFAOYSA-N 1 0 344.503 2.641 40 0 EFABRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CSc1ccncc1 ZINC000065940349 238783816 /nfs/dbraw/zinc/78/38/16/238783816.db2.gz TVUPFZBIHHDWQJ-UHFFFAOYSA-N 1 0 347.459 2.903 40 0 EFABRO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000073309102 216376409 /nfs/dbraw/zinc/37/64/09/216376409.db2.gz BHVNZKMAUFNESQ-UHFFFAOYSA-N 1 0 337.895 2.719 40 0 EFABRO C[NH+](C)CCc1ccc(NC(=O)c2ccc3c(c2)COCO3)cc1 ZINC000073338030 216379009 /nfs/dbraw/zinc/37/90/09/216379009.db2.gz GKRGABQIGCKSEE-UHFFFAOYSA-N 1 0 326.396 2.910 40 0 EFABRO COc1cccc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023181118 212358408 /nfs/dbraw/zinc/35/84/08/212358408.db2.gz IFZBRDYMKVUKLE-UETGSQEOSA-N 1 0 346.471 2.712 40 0 EFABRO Cc1ccc(OCC(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023016758 212342752 /nfs/dbraw/zinc/34/27/52/212342752.db2.gz CXVYFWJIOPGYLI-UHFFFAOYSA-N 1 0 342.439 2.995 40 0 EFABRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C ZINC000193343562 240121935 /nfs/dbraw/zinc/12/19/35/240121935.db2.gz CZWVLVKDIBMRHU-LRDDRELGSA-N 1 0 348.397 2.540 40 0 EFABRO O=C(NCc1cccs1)NCc1ccc(CN2CCOCC2)cc1 ZINC000022437103 212297024 /nfs/dbraw/zinc/29/70/24/212297024.db2.gz CXNRBHFGNIAUAZ-UHFFFAOYSA-N 1 0 345.468 2.580 40 0 EFABRO Cc1ccc(F)cc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228940094 240234136 /nfs/dbraw/zinc/23/41/36/240234136.db2.gz DPBWNOBICGMDGV-UHFFFAOYSA-N 1 0 326.379 2.942 40 0 EFABRO COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC000195549402 241000295 /nfs/dbraw/zinc/00/02/95/241000295.db2.gz GXESMGQYKJWSJG-DZGCQCFKSA-N 1 0 330.384 2.984 40 0 EFABRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c(Br)c1 ZINC000195558775 241006102 /nfs/dbraw/zinc/00/61/02/241006102.db2.gz OARJPKQSLMKIRE-SECBINFHSA-N 1 0 329.238 2.620 40 0 EFABRO Clc1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)c(Cl)c1 ZINC000216642126 241202344 /nfs/dbraw/zinc/20/23/44/241202344.db2.gz OHNITFBLCPCUFJ-UHFFFAOYSA-N 1 0 329.256 2.845 40 0 EFABRO [NH3+]C[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663945 241337388 /nfs/dbraw/zinc/33/73/88/241337388.db2.gz RABICIOCUMYJPX-ARFHVFGLSA-N 1 0 339.819 2.994 40 0 EFABRO CC1(C)[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H]2CCO[C@H]21 ZINC000230153335 242238843 /nfs/dbraw/zinc/23/88/43/242238843.db2.gz RLLSBSHYELXTRJ-KZNAEPCWSA-N 1 0 349.519 2.754 40 0 EFABRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ncco3)CC2)cc1 ZINC000241930381 243005440 /nfs/dbraw/zinc/00/54/40/243005440.db2.gz UIBLSGBEGBLXAX-UHFFFAOYSA-N 1 0 345.468 2.810 40 0 EFABRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCOC3)cc2)C1 ZINC000245343960 243104546 /nfs/dbraw/zinc/10/45/46/243104546.db2.gz WQABZQZPXXKHAJ-HOTGVXAUSA-N 1 0 332.444 2.772 40 0 EFABRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248716848 243612036 /nfs/dbraw/zinc/61/20/36/243612036.db2.gz KXUMOMBMMWATLD-FMKGYKFTSA-N 1 0 340.265 2.581 40 0 EFABRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1F ZINC000253430776 243981898 /nfs/dbraw/zinc/98/18/98/243981898.db2.gz OAHYVPQPFBBVSG-OAHLLOKOSA-N 1 0 330.407 2.773 40 0 EFABRO c1cc2n(c1)C[C@@H](Oc1cccnc1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588732 244025788 /nfs/dbraw/zinc/02/57/88/244025788.db2.gz QCWLEARSAIQIRU-IBGZPJMESA-N 1 0 327.428 2.573 40 0 EFABRO c1cc2n(n1)[C@H](C[NH+]1CCCC1)CN(CCOCc1ccccc1)C2 ZINC000253603343 244033680 /nfs/dbraw/zinc/03/36/80/244033680.db2.gz DHHHSRVPBNWULF-HXUWFJFHSA-N 1 0 340.471 2.552 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccoc2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000253603156 244034613 /nfs/dbraw/zinc/03/46/13/244034613.db2.gz BNZWGNPSEMERGT-LJHODMEESA-N 1 0 332.444 2.565 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)c1 ZINC000257217818 244174289 /nfs/dbraw/zinc/17/42/89/244174289.db2.gz DATJJRBSFWXTLU-QGZVFWFLSA-N 1 0 347.365 2.924 40 0 EFABRO C[N@@H+]1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257217577 244174779 /nfs/dbraw/zinc/17/47/79/244174779.db2.gz CZOFTVGFBCCRHA-INIZCTEOSA-N 1 0 335.455 2.564 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)[nH+]1 ZINC000257219600 244176559 /nfs/dbraw/zinc/17/65/59/244176559.db2.gz DHJJAVJQAQPJLU-CQSZACIVSA-N 1 0 340.427 2.951 40 0 EFABRO NC(=O)CCc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000257210374 244147859 /nfs/dbraw/zinc/14/78/59/244147859.db2.gz BUIQKFIIAVPVGI-SFHVURJKSA-N 1 0 327.403 2.976 40 0 EFABRO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000257211195 244149999 /nfs/dbraw/zinc/14/99/99/244149999.db2.gz BXWAXMIICHGLME-INIZCTEOSA-N 1 0 334.427 2.570 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257212502 244154444 /nfs/dbraw/zinc/15/44/44/244154444.db2.gz CDSJSJRLMWENSN-OAHLLOKOSA-N 1 0 329.448 2.747 40 0 EFABRO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257215141 244164912 /nfs/dbraw/zinc/16/49/12/244164912.db2.gz COWPCRDUWYOSNB-FQEVSTJZSA-N 1 0 341.455 2.621 40 0 EFABRO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2Cc2ccc(F)cn2)n1 ZINC000257215759 244166466 /nfs/dbraw/zinc/16/64/66/244166466.db2.gz CRMYALACBSSWNP-QGZVFWFLSA-N 1 0 329.423 2.718 40 0 EFABRO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000257216545 244169635 /nfs/dbraw/zinc/16/96/35/244169635.db2.gz CUZKDWMZJXQNQO-XKGZKEIXSA-N 1 0 342.439 2.627 40 0 EFABRO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257222855 244192162 /nfs/dbraw/zinc/19/21/62/244192162.db2.gz DUXKFEORDBMEAT-HXUWFJFHSA-N 1 0 349.438 2.931 40 0 EFABRO CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](CCCc1ccccc1)CC2 ZINC000257222717 244192825 /nfs/dbraw/zinc/19/28/25/244192825.db2.gz DUKXPWDRJNLUGP-HXUWFJFHSA-N 1 0 344.499 2.705 40 0 EFABRO Cc1nccc(C[C@H]2CCC[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)n1 ZINC000257226164 244201498 /nfs/dbraw/zinc/20/14/98/244201498.db2.gz FJKHURSXCXPHRR-ZHALLVOQSA-N 1 0 325.460 2.609 40 0 EFABRO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2Cc2ncccc2F)n1 ZINC000257230167 244210426 /nfs/dbraw/zinc/21/04/26/244210426.db2.gz GBCYIFFGHGCTGO-QGZVFWFLSA-N 1 0 329.423 2.718 40 0 EFABRO Cc1cnccc1C[N@@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257231454 244212328 /nfs/dbraw/zinc/21/23/28/244212328.db2.gz GGTSFUMZKAJSRB-KRWDZBQOSA-N 1 0 336.439 2.729 40 0 EFABRO c1csc(C[N@H+]2CCC[C@@H]2c2cncc(CN3CCOCC3)n2)c1 ZINC000257231208 244213289 /nfs/dbraw/zinc/21/32/89/244213289.db2.gz GFUIIKMPIBKBOX-GOSISDBHSA-N 1 0 344.484 2.707 40 0 EFABRO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccc(-c3cnn(C)c3)nc2)cn1 ZINC000257230737 244214768 /nfs/dbraw/zinc/21/47/68/244214768.db2.gz GDRQZHOLAHIDIU-IBGZPJMESA-N 1 0 336.443 2.943 40 0 EFABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cc1CO ZINC000257221536 244184627 /nfs/dbraw/zinc/18/46/27/244184627.db2.gz DPMIWJCHCQIHNU-HNNXBMFYSA-N 1 0 329.444 2.755 40 0 EFABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257244754 244253085 /nfs/dbraw/zinc/25/30/85/244253085.db2.gz IMQCNTPAWKQIOZ-MRXNPFEDSA-N 1 0 341.459 2.781 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)c1 ZINC000257246812 244258430 /nfs/dbraw/zinc/25/84/30/244258430.db2.gz IVYAJHXIKBUBGE-AWEZNQCLSA-N 1 0 343.402 2.966 40 0 EFABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)nc(C)n1 ZINC000257231846 244217563 /nfs/dbraw/zinc/21/75/63/244217563.db2.gz GIJMAMMODICKCM-GOSISDBHSA-N 1 0 342.443 2.535 40 0 EFABRO CCCn1cc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257276818 284131175 /nfs/dbraw/zinc/13/11/75/284131175.db2.gz NVGHUUKVBNANBD-GOSISDBHSA-N 1 0 342.491 2.790 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH+]1 ZINC000257246388 244258697 /nfs/dbraw/zinc/25/86/97/244258697.db2.gz ITYANZLAIPRJQX-KRWDZBQOSA-N 1 0 345.468 2.660 40 0 EFABRO c1ncc(C[NH+]2CCC(c3ccnc(Nc4ncccn4)c3)CC2)[nH]1 ZINC000257249009 244264226 /nfs/dbraw/zinc/26/42/26/244264226.db2.gz JGHHRMRVUBQYES-UHFFFAOYSA-N 1 0 335.415 2.718 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257249262 244265719 /nfs/dbraw/zinc/26/57/19/244265719.db2.gz JHMYVFMYCBMQQB-CQSZACIVSA-N 1 0 340.456 2.807 40 0 EFABRO C[C@]12CCCN(C(=O)c3cccnc3-c3cncs3)[C@@H]1CCC[NH2+]2 ZINC000257249276 244265918 /nfs/dbraw/zinc/26/59/18/244265918.db2.gz JHNQQUQMTDJHBT-QAPCUYQASA-N 1 0 342.468 2.952 40 0 EFABRO C[C@@]12C[C@H]3CN(C(=O)COc4cccc(F)c4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257249301 244266540 /nfs/dbraw/zinc/26/65/40/244266540.db2.gz JHPDZAODZSZODN-RMRDIRSESA-N 1 0 332.419 2.726 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)c3)C2)n[nH]1 ZINC000257254393 244278672 /nfs/dbraw/zinc/27/86/72/244278672.db2.gz KCWFEEICINFKGW-HNNXBMFYSA-N 1 0 335.415 2.718 40 0 EFABRO Cc1noc(C)c1C(=O)N1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257258241 244288283 /nfs/dbraw/zinc/28/82/83/244288283.db2.gz KSYHNHXOHGVHSH-AWEZNQCLSA-N 1 0 328.416 2.691 40 0 EFABRO COC(=O)c1cc([C@H](O)C[NH2+][C@@H](C)CCc2ccccc2)ccc1O ZINC000077301689 216867583 /nfs/dbraw/zinc/86/75/83/216867583.db2.gz HDMYIQYFFYISIP-IFXJQAMLSA-N 1 0 343.423 2.823 40 0 in-vitro EFABRO C[NH+](C)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020041038 212097299 /nfs/dbraw/zinc/09/72/99/212097299.db2.gz VUUNCEMDPLXXQS-UHFFFAOYSA-N 1 0 334.441 2.709 40 0 EFABRO Cc1c[nH]c(-c2cncc(C[C@@H]3CC[N@H+](Cc4cncs4)C3)n2)n1 ZINC000257266394 244363300 /nfs/dbraw/zinc/36/33/00/244363300.db2.gz MCVFXAVEFZOOAX-ZDUSSCGKSA-N 1 0 340.456 2.696 40 0 EFABRO COc1ccc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257266636 244364780 /nfs/dbraw/zinc/36/47/80/244364780.db2.gz MDVGUHPHVBBMSN-SFHVURJKSA-N 1 0 326.444 2.884 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3cccs3)CCO2)[nH+]1 ZINC000257269368 244369823 /nfs/dbraw/zinc/36/98/23/244369823.db2.gz MPQZJMLSZKQXRK-QGZVFWFLSA-N 1 0 345.468 2.660 40 0 EFABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257270328 244373196 /nfs/dbraw/zinc/37/31/96/244373196.db2.gz MTTGXBARHUWZJF-MRXNPFEDSA-N 1 0 325.412 2.936 40 0 EFABRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257270327 244374444 /nfs/dbraw/zinc/37/44/44/244374444.db2.gz MTTGXBARHUWZJF-INIZCTEOSA-N 1 0 325.412 2.936 40 0 EFABRO Cc1cncc(C[N@@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)c1 ZINC000257261100 244347575 /nfs/dbraw/zinc/34/75/75/244347575.db2.gz LFSBJDNQYNSQCC-SFHVURJKSA-N 1 0 336.439 2.729 40 0 EFABRO CC(=O)N1CC2(CC[NH+](Cc3ccc(C)cc3)CC2)C[C@H](O)C1(C)C ZINC000257264480 244355229 /nfs/dbraw/zinc/35/52/29/244355229.db2.gz LUNXAYSRMZTAIM-IBGZPJMESA-N 1 0 344.499 2.969 40 0 EFABRO NC(=O)[C@]1(CCCc2ccccn2)CCC[N@H+](Cc2ccccn2)C1 ZINC000257265021 244358045 /nfs/dbraw/zinc/35/80/45/244358045.db2.gz LWYTYQRXSOZCMB-HXUWFJFHSA-N 1 0 338.455 2.567 40 0 EFABRO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257272989 244381824 /nfs/dbraw/zinc/38/18/24/244381824.db2.gz NEUZQYZXMUAZPL-FQEVSTJZSA-N 1 0 349.438 2.931 40 0 EFABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cc1CO ZINC000257273604 244386654 /nfs/dbraw/zinc/38/66/54/244386654.db2.gz NHJAJXXFUUUMAJ-MRXNPFEDSA-N 1 0 327.428 2.747 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257274177 244389303 /nfs/dbraw/zinc/38/93/03/244389303.db2.gz NJWKJZBQNWMLNL-ZDUSSCGKSA-N 1 0 340.456 2.696 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)[nH+]1 ZINC000257274799 244389806 /nfs/dbraw/zinc/38/98/06/244389806.db2.gz NMRVUPVHJVXVMM-GOSISDBHSA-N 1 0 343.402 2.644 40 0 EFABRO Cn1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@@H+]3C)n1 ZINC000257277919 244398418 /nfs/dbraw/zinc/39/84/18/244398418.db2.gz OABCOAMTAKXMPH-GBESFXJTSA-N 1 0 338.455 2.860 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@@H]1c1ccnc(C[NH+]2CCCC2)c1 ZINC000257279083 244399986 /nfs/dbraw/zinc/39/99/86/244399986.db2.gz OEYPCHDMKQSEFJ-GOSISDBHSA-N 1 0 338.455 2.993 40 0 EFABRO Cc1cccc2nc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+]C4)cn21 ZINC000257284346 244415588 /nfs/dbraw/zinc/41/55/88/244415588.db2.gz PCHIHNGKNBXMCY-DZIWXPPMSA-N 1 0 338.455 2.778 40 0 EFABRO CC(=O)N1CC2(CC[NH+](Cc3cccc(C)c3)CC2)C[C@@H](O)C1(C)C ZINC000257310137 244491099 /nfs/dbraw/zinc/49/10/99/244491099.db2.gz UDUSGEKSSCKCTJ-LJQANCHMSA-N 1 0 344.499 2.969 40 0 EFABRO c1cc(CN2CCC([NH+]3CCCCC3)CC2)nc([C@@H]2CCCO2)n1 ZINC000257329305 244543088 /nfs/dbraw/zinc/54/30/88/244543088.db2.gz XJHNOAAEPOAJTQ-SFHVURJKSA-N 1 0 330.476 2.778 40 0 EFABRO Cn1nc2c(c1C(=O)N1CCC([C@H]3CCCC[N@@H+]3C)CC1)CCCC2 ZINC000019747008 212061520 /nfs/dbraw/zinc/06/15/20/212061520.db2.gz PNPUFNPCHCSIEJ-GOSISDBHSA-N 1 0 344.503 2.635 40 0 EFABRO CN(Cc1cc([C@H]2CCC[NH2+]C2)nn1C)C(=O)CC1CCCCC1 ZINC000019709102 212056099 /nfs/dbraw/zinc/05/60/99/212056099.db2.gz VGKIHHUQBSXBCZ-INIZCTEOSA-N 1 0 332.492 2.816 40 0 EFABRO CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079410209 284193127 /nfs/dbraw/zinc/19/31/27/284193127.db2.gz ZGUQEAYRRWXYIK-NRXISQOPSA-N 1 0 341.496 2.654 40 0 EFABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019588548 212049322 /nfs/dbraw/zinc/04/93/22/212049322.db2.gz BXYSHAVMXAXDPP-MRXNPFEDSA-N 1 0 342.487 2.751 40 0 EFABRO Cc1noc(C)c1CC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000019580868 212047534 /nfs/dbraw/zinc/04/75/34/212047534.db2.gz WXPYNGGTTOYYCH-UHFFFAOYSA-N 1 0 348.410 2.728 40 0 EFABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)c1 ZINC000019555394 212040576 /nfs/dbraw/zinc/04/05/76/212040576.db2.gz YZOYXAIZQVCKSL-INIZCTEOSA-N 1 0 327.428 2.775 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019554935 212041659 /nfs/dbraw/zinc/04/16/59/212041659.db2.gz UZOCJEHNEOCOMC-AWEZNQCLSA-N 1 0 337.383 2.525 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019554932 212041671 /nfs/dbraw/zinc/04/16/71/212041671.db2.gz UZOCJEHNEOCOMC-CQSZACIVSA-N 1 0 337.383 2.525 40 0 EFABRO COc1ccc(CN2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019555595 212042560 /nfs/dbraw/zinc/04/25/60/212042560.db2.gz OMHCWBBXZJUFHK-UHFFFAOYSA-N 1 0 338.455 2.511 40 0 EFABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000019528048 212039810 /nfs/dbraw/zinc/03/98/10/212039810.db2.gz CMYYIHIXAHKWOR-SFHVURJKSA-N 1 0 340.475 2.515 40 0 EFABRO CCc1nnsc1C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019521867 212036480 /nfs/dbraw/zinc/03/64/80/212036480.db2.gz SXBMFYYKBOURJD-CQSZACIVSA-N 1 0 336.505 2.971 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1 ZINC000019453763 212028534 /nfs/dbraw/zinc/02/85/34/212028534.db2.gz NZDUGHDEQOOGLP-UHFFFAOYSA-N 1 0 327.428 2.503 40 0 EFABRO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000019374800 212024809 /nfs/dbraw/zinc/02/48/09/212024809.db2.gz LSRFQANUOPYWGL-HXUWFJFHSA-N 1 0 340.398 2.983 40 0 EFABRO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC000019405148 212026066 /nfs/dbraw/zinc/02/60/66/212026066.db2.gz AORNWPYYYOKQFM-PMSBKCLSSA-N 1 0 348.450 2.989 40 0 EFABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1)N1CCCC1 ZINC000019339074 212018397 /nfs/dbraw/zinc/01/83/97/212018397.db2.gz HMHIFGGQVUETPY-MRXNPFEDSA-N 1 0 340.427 2.685 40 0 EFABRO O=C(CCC1CCCC1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292346 212012093 /nfs/dbraw/zinc/01/20/93/212012093.db2.gz KMBNQJDLHVMUNQ-QGZVFWFLSA-N 1 0 328.460 2.756 40 0 EFABRO O=C(CCC1CCCC1)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292301 212011641 /nfs/dbraw/zinc/01/16/41/212011641.db2.gz YCDPYPQBYULDJF-MRXNPFEDSA-N 1 0 342.487 2.799 40 0 EFABRO COc1ccccc1C[NH+]1CCC(c2nn(C)c3nccnc23)CC1 ZINC000019289452 212011382 /nfs/dbraw/zinc/01/13/82/212011382.db2.gz SAESXELSCSOUJB-UHFFFAOYSA-N 1 0 337.427 2.752 40 0 EFABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[nH]1 ZINC000019285271 212010210 /nfs/dbraw/zinc/01/02/10/212010210.db2.gz RNARUPPGFFIUQF-MRXNPFEDSA-N 1 0 338.455 2.668 40 0 EFABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)C(C)(C)C ZINC000019082169 212000132 /nfs/dbraw/zinc/00/01/32/212000132.db2.gz OBRZEVNXKRFAEU-UHFFFAOYSA-N 1 0 346.450 2.913 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)s1 ZINC000019217238 212005639 /nfs/dbraw/zinc/00/56/39/212005639.db2.gz FKGYVDQSGKHGKM-UHFFFAOYSA-N 1 0 338.436 2.760 40 0 EFABRO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc1 ZINC000019210393 212004552 /nfs/dbraw/zinc/00/45/52/212004552.db2.gz XUKQBDGSRNKRIX-FDFHNCONSA-N 1 0 336.479 2.857 40 0 EFABRO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@H+](C)C3)on2)cc1 ZINC000019212264 212003986 /nfs/dbraw/zinc/00/39/86/212003986.db2.gz LMHQLQPXWJSFHD-HXUWFJFHSA-N 1 0 341.455 2.993 40 0 EFABRO CCS[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000078289474 217038778 /nfs/dbraw/zinc/03/87/78/217038778.db2.gz SPLRMTLHHABSJG-JKSUJKDBSA-N 1 0 325.522 2.977 40 0 EFABRO CC(C)c1nn(C)cc1C[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000078552736 217074094 /nfs/dbraw/zinc/07/40/94/217074094.db2.gz QDCHOBZYPLFREN-UHFFFAOYSA-N 1 0 333.407 2.881 40 0 EFABRO Cc1cn2c(C[NH2+]CC(=O)N3CCc4ccccc43)c(C)nc2s1 ZINC000078553595 217075320 /nfs/dbraw/zinc/07/53/20/217075320.db2.gz TXJWFMYUUXRGPX-UHFFFAOYSA-N 1 0 340.452 2.692 40 0 EFABRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000078602396 217084375 /nfs/dbraw/zinc/08/43/75/217084375.db2.gz WTQUOEVRVNBQDS-UHFFFAOYSA-N 1 0 341.379 2.537 40 0 EFABRO Fc1ccc(OCC[NH2+]Cc2c[nH]nc2-c2cccnc2)c(F)c1 ZINC000078604177 217085647 /nfs/dbraw/zinc/08/56/47/217085647.db2.gz ILJSHTNXWXCYKI-UHFFFAOYSA-N 1 0 330.338 2.919 40 0 EFABRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776780 217119604 /nfs/dbraw/zinc/11/96/04/217119604.db2.gz ZARGOPYAOVGVTO-AWEZNQCLSA-N 1 0 342.468 2.974 40 0 EFABRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2ccccn2)cc1 ZINC000079039351 217180015 /nfs/dbraw/zinc/18/00/15/217180015.db2.gz VOJMGKDUIACNQS-UHFFFAOYSA-N 1 0 327.428 2.983 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000079336610 217211695 /nfs/dbraw/zinc/21/16/95/217211695.db2.gz LAEKXBIFWWJFMG-LJQANCHMSA-N 1 0 331.504 2.918 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)n1cccn1 ZINC000110647768 220051054 /nfs/dbraw/zinc/05/10/54/220051054.db2.gz XGSWOUTZOZZLSF-CVEARBPZSA-N 1 0 342.443 2.803 40 0 EFABRO O=C(N[C@@H]1CCCC[C@@H]1[N@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390934 217217498 /nfs/dbraw/zinc/21/74/98/217217498.db2.gz NZZLMXNIPUTZKV-MSOLQXFVSA-N 1 0 332.444 2.681 40 0 EFABRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677960 220055818 /nfs/dbraw/zinc/05/58/18/220055818.db2.gz DAXGSWATMUXOHS-KBXCAEBGSA-N 1 0 336.863 2.972 40 0 EFABRO [NH3+]CCN(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079391883 217219033 /nfs/dbraw/zinc/21/90/33/217219033.db2.gz ASJWIBRFFMOXHH-QZTJIDSGSA-N 1 0 331.460 2.647 40 0 EFABRO O=C(OCc1ccccc1)N(C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000079411277 217222206 /nfs/dbraw/zinc/22/22/06/217222206.db2.gz DPUUHHOOVQEUHA-SFHVURJKSA-N 1 0 332.444 2.634 40 0 EFABRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000081361320 217388761 /nfs/dbraw/zinc/38/87/61/217388761.db2.gz XVFGDUUNCHGBED-MRXNPFEDSA-N 1 0 326.444 2.676 40 0 EFABRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000081361319 217386794 /nfs/dbraw/zinc/38/67/94/217386794.db2.gz XVFGDUUNCHGBED-INIZCTEOSA-N 1 0 326.444 2.676 40 0 EFABRO O=C(/C=C/c1ccc2c(c1)OCO2)NCCC[NH+]1CCCCCC1 ZINC000013632855 211593783 /nfs/dbraw/zinc/59/37/83/211593783.db2.gz SRQJXAJNFWQZQB-VQHVLOKHSA-N 1 0 330.428 2.811 40 0 EFABRO Cc1cc(=O)n2c(n1)NC(=[NH+]C1CCCCC1)N[C@H]2c1ccccc1 ZINC000101983226 291657402 /nfs/dbraw/zinc/65/74/02/291657402.db2.gz SUZKFBJRQCKGAY-QGZVFWFLSA-N 1 0 337.427 2.802 40 0 EFABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1cccs1)OCCO3 ZINC000012468846 211391016 /nfs/dbraw/zinc/39/10/16/211391016.db2.gz KCEQLCUAYAAPRN-UHFFFAOYSA-N 1 0 328.393 2.651 40 0 EFABRO CCCO[C@H]1CCC[N@H+](Cc2c(C)n(CC(N)=O)c3ccccc32)C1 ZINC000012364451 211356226 /nfs/dbraw/zinc/35/62/26/211356226.db2.gz GZGHZXPHWFJBEX-INIZCTEOSA-N 1 0 343.471 2.826 40 0 EFABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000012292059 211335181 /nfs/dbraw/zinc/33/51/81/211335181.db2.gz JCYMBCOSAJUFNZ-SFHVURJKSA-N 1 0 327.424 2.712 40 0 EFABRO CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CC[NH2+]CC1 ZINC000012275252 211333173 /nfs/dbraw/zinc/33/31/73/211333173.db2.gz MRESPBABLAJGFR-UHFFFAOYSA-N 1 0 332.375 2.956 40 0 EFABRO COc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1CO ZINC000012240623 211328439 /nfs/dbraw/zinc/32/84/39/211328439.db2.gz YBIHKFLXNQZJAL-UHFFFAOYSA-N 1 0 345.414 2.810 40 0 EFABRO C[NH+](C)CCNC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 ZINC000012222342 211324091 /nfs/dbraw/zinc/32/40/91/211324091.db2.gz NOBZSWGIAUWDDC-UHFFFAOYSA-N 1 0 340.402 2.520 40 0 EFABRO C[NH+](C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000012222337 211324007 /nfs/dbraw/zinc/32/40/07/211324007.db2.gz IIRDCWGYNXLUHK-UHFFFAOYSA-N 1 0 337.467 2.703 40 0 EFABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4ccn[nH]4)CC3)CC2)cc1 ZINC000012221547 211323731 /nfs/dbraw/zinc/32/37/31/211323731.db2.gz SUSMYTIBLBKCQW-UHFFFAOYSA-N 1 0 338.455 2.644 40 0 EFABRO Cc1nc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)ccc2[nH]1 ZINC000012147440 211307990 /nfs/dbraw/zinc/30/79/90/211307990.db2.gz YIAYELAYSDQMCB-ZIAGYGMSSA-N 1 0 328.460 2.969 40 0 EFABRO CCS[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091349557 217996126 /nfs/dbraw/zinc/99/61/26/217996126.db2.gz OSDZAUNXMHVQCK-UBHSHLNASA-N 1 0 328.503 2.659 40 0 EFABRO C[C@@H]1C[N@@H+](C2CCN(c3cncc(Br)c3)CC2)CCO1 ZINC000091453645 218009034 /nfs/dbraw/zinc/00/90/34/218009034.db2.gz SHVZQTDDEYRXEJ-GFCCVEGCSA-N 1 0 340.265 2.534 40 0 EFABRO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)o1 ZINC000091685370 218046522 /nfs/dbraw/zinc/04/65/22/218046522.db2.gz IQFDRMJZJWQJEM-OAHLLOKOSA-N 1 0 343.427 2.980 40 0 EFABRO CCN1C[C@@H](C[N@H+](C)Cc2ccc(C(N)=O)cc2)Oc2ccccc21 ZINC000011193488 211207466 /nfs/dbraw/zinc/20/74/66/211207466.db2.gz YKDVUZHKLYDKEH-QGZVFWFLSA-N 1 0 339.439 2.505 40 0 EFABRO CC1(C)CC(NC(=O)c2ccc(Cn3cccn3)cc2)CC(C)(C)[NH2+]1 ZINC000010404958 211170415 /nfs/dbraw/zinc/17/04/15/211170415.db2.gz XASWPJZTUCCTTH-UHFFFAOYSA-N 1 0 340.471 2.970 40 0 EFABRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c(Br)cc1O ZINC000093840417 218253129 /nfs/dbraw/zinc/25/31/29/218253129.db2.gz JIGLTPDLBYPQNM-SNVBAGLBSA-N 1 0 330.222 2.632 40 0 EFABRO C[NH+](C)C/C=C/C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000095399345 218333045 /nfs/dbraw/zinc/33/30/45/218333045.db2.gz GFFXIDLJXINFSO-IZZDOVSWSA-N 1 0 348.450 2.819 40 0 EFABRO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000095409686 218346133 /nfs/dbraw/zinc/34/61/33/218346133.db2.gz ZJEVVRJGGITSDO-LZLYRXPVSA-N 1 0 333.476 2.826 40 0 EFABRO Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)no1 ZINC000095418297 218357591 /nfs/dbraw/zinc/35/75/91/218357591.db2.gz NAZLVLZCJLFUDR-BLLLJJGKSA-N 1 0 343.431 2.849 40 0 EFABRO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000095418907 218358570 /nfs/dbraw/zinc/35/85/70/218358570.db2.gz RDSUPURHQBAGSY-BJOOFOGMSA-N 1 0 327.403 2.863 40 0 EFABRO COc1cc(OC)cc(C2(O)CC[NH+](Cc3cccnc3)CC2)c1 ZINC000095414064 218352133 /nfs/dbraw/zinc/35/21/33/218352133.db2.gz IZFMRRNHUCKWFV-UHFFFAOYSA-N 1 0 328.412 2.582 40 0 EFABRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC1(CO)CCCC1 ZINC000095416121 218354806 /nfs/dbraw/zinc/35/48/06/218354806.db2.gz KMSZOKWMQNOQEX-GOSISDBHSA-N 1 0 345.487 2.503 40 0 EFABRO Cc1cc([C@](C)(O)C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423152 218365515 /nfs/dbraw/zinc/36/55/15/218365515.db2.gz AOHFCWQZFRMTTR-IFXJQAMLSA-N 1 0 336.476 2.875 40 0 EFABRO CC[C@H](CNC(=O)C1CC[NH2+]CC1)Oc1cccc(C(F)(F)F)c1 ZINC000095426571 218368833 /nfs/dbraw/zinc/36/88/33/218368833.db2.gz HEUVBIDQLPCDHW-CQSZACIVSA-N 1 0 344.377 2.979 40 0 EFABRO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000095443580 218388171 /nfs/dbraw/zinc/38/81/71/218388171.db2.gz GCBRCEYZHIMEER-BXWFABGCSA-N 1 0 347.503 2.855 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@@H+](C3CCCC3)C[C@H]2O1 ZINC000096043032 218527608 /nfs/dbraw/zinc/52/76/08/218527608.db2.gz WQWHUEGMFLBVOU-RRQGHBQHSA-N 1 0 334.485 2.786 40 0 EFABRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000152163307 223919354 /nfs/dbraw/zinc/91/93/54/223919354.db2.gz JCUFYJDRJPPACG-ROUUACIJSA-N 1 0 349.519 2.535 40 0 EFABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1ccsc1)CC2 ZINC000096061396 218554843 /nfs/dbraw/zinc/55/48/43/218554843.db2.gz BHPQAPLDDCIEPH-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1cccc(C[NH+]2CCC3(CCN3C(=O)c3ccco3)CC2)n1 ZINC000096078017 218577848 /nfs/dbraw/zinc/57/78/48/218577848.db2.gz NEGOHVVIYAVTDY-UHFFFAOYSA-N 1 0 325.412 2.864 40 0 EFABRO CC(C)(C)n1cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cn1 ZINC000449418436 251019287 /nfs/dbraw/zinc/01/92/87/251019287.db2.gz CWKJJEWQNUCWET-MJGOQNOKSA-N 1 0 331.435 2.938 40 0 EFABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2cccnc2)OC3)cc1 ZINC000096112938 218609321 /nfs/dbraw/zinc/60/93/21/218609321.db2.gz DFYLVNIGCPSMRA-KRWDZBQOSA-N 1 0 338.386 2.773 40 0 biogenic,in-vitro EFABRO Cc1ccc(N2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)nn1 ZINC000096158486 218632600 /nfs/dbraw/zinc/63/26/00/218632600.db2.gz PBGQTJWXOKGKNH-KRWDZBQOSA-N 1 0 330.476 2.504 40 0 EFABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1ccsc1)CC2 ZINC000096061397 284873540 /nfs/dbraw/zinc/87/35/40/284873540.db2.gz BHPQAPLDDCIEPH-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1cccc(CO[C@@H]2COC3(C2)CC[NH+](C2CCOCC2)CC3)n1 ZINC000096217164 218691481 /nfs/dbraw/zinc/69/14/81/218691481.db2.gz MGDRUUJEELKOIL-IBGZPJMESA-N 1 0 346.471 2.709 40 0 EFABRO CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079391436 285022597 /nfs/dbraw/zinc/02/25/97/285022597.db2.gz GSXPGGCODLWPEZ-GJZGRUSLSA-N 1 0 341.496 2.608 40 0 EFABRO COCCNC(=O)c1sc2ncccc2c1C1CCC(C[NH3+])CC1 ZINC000257268740 285073144 /nfs/dbraw/zinc/07/31/44/285073144.db2.gz MMYWNGAODXSHOE-UHFFFAOYSA-N 1 0 347.484 2.905 40 0 EFABRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cnc2ccccc12 ZINC000096451256 218834300 /nfs/dbraw/zinc/83/43/00/218834300.db2.gz GYGHFXWCBBYKQR-INIZCTEOSA-N 1 0 341.455 2.726 40 0 EFABRO O=C(CCC(F)(F)F)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000096459206 218842413 /nfs/dbraw/zinc/84/24/13/218842413.db2.gz MNKZFLLUTPOIML-UHFFFAOYSA-N 1 0 336.398 2.728 40 0 EFABRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(Cl)cn1 ZINC000096461398 218844254 /nfs/dbraw/zinc/84/42/54/218844254.db2.gz HBLSBOZBVWEVCR-UHFFFAOYSA-N 1 0 345.830 2.944 40 0 EFABRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478762 218855298 /nfs/dbraw/zinc/85/52/98/218855298.db2.gz MRWPCYJNPIGPPW-PXAZEXFGSA-N 1 0 339.447 2.815 40 0 EFABRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n(C)n1 ZINC000096492408 218869483 /nfs/dbraw/zinc/86/94/83/218869483.db2.gz LNGRJKGKRXRYKV-HNNXBMFYSA-N 1 0 341.459 2.618 40 0 EFABRO CCOC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(=O)OCC ZINC000005385409 210454501 /nfs/dbraw/zinc/45/45/01/210454501.db2.gz JALPQYLINKUOPW-QKPAOTATSA-N 1 0 325.449 2.820 40 0 EFABRO COc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000097101354 218953750 /nfs/dbraw/zinc/95/37/50/218953750.db2.gz MSZAMOBBKBSQQA-OAHLLOKOSA-N 1 0 332.448 2.738 40 0 EFABRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)cc1Br ZINC000097230509 219000085 /nfs/dbraw/zinc/00/00/85/219000085.db2.gz OWZHZFUFLPRYMA-LBPRGKRZSA-N 1 0 325.250 2.747 40 0 EFABRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)c1 ZINC000097231135 219000308 /nfs/dbraw/zinc/00/03/08/219000308.db2.gz RHDCISFVBFCTAV-CYBMUJFWSA-N 1 0 336.432 2.627 40 0 EFABRO C[N@@H+]1CCCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000097235715 219001903 /nfs/dbraw/zinc/00/19/03/219001903.db2.gz YZOBVQVSAGNAMI-UHFFFAOYSA-N 1 0 348.191 2.897 40 0 EFABRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCSC3)cc2)C[C@@H](C)O1 ZINC000097370833 219016457 /nfs/dbraw/zinc/01/64/57/219016457.db2.gz BARYONQRSUIQQI-IIDMSEBBSA-N 1 0 348.512 2.921 40 0 EFABRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000097375068 219018131 /nfs/dbraw/zinc/01/81/31/219018131.db2.gz CFSOAKNTEIODJR-IRXDYDNUSA-N 1 0 344.480 2.717 40 0 EFABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1ccc(F)cc1)OCCO3 ZINC000004132781 285198998 /nfs/dbraw/zinc/19/89/98/285198998.db2.gz IPMVYRIQMIGHEZ-UHFFFAOYSA-N 1 0 340.354 2.728 40 0 EFABRO Cn1ccc(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)n1 ZINC000119155142 221254644 /nfs/dbraw/zinc/25/46/44/221254644.db2.gz MQLFCHFLQIMXGN-UHFFFAOYSA-N 1 0 343.431 2.929 40 0 EFABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2ccccc2)CC1 ZINC000019499712 285333141 /nfs/dbraw/zinc/33/31/41/285333141.db2.gz CYCXEIJRNLUMQO-QGZVFWFLSA-N 1 0 342.491 2.545 40 0 EFABRO COc1ccc([C@H](NC(=O)NC2CC[NH+](C)CC2)C(F)(F)F)cc1 ZINC000155145782 224366039 /nfs/dbraw/zinc/36/60/39/224366039.db2.gz DGYTYUKWGYRGKN-AWEZNQCLSA-N 1 0 345.365 2.692 40 0 EFABRO CC(=O)N(C)c1cccc(NC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281510462 257986874 /nfs/dbraw/zinc/98/68/74/257986874.db2.gz XJAPGCDCGIKPMS-UHFFFAOYSA-N 1 0 332.448 2.619 40 0 EFABRO O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000330032503 258002608 /nfs/dbraw/zinc/00/26/08/258002608.db2.gz OJLRICGEQIHPFX-GOSISDBHSA-N 1 0 344.455 2.698 40 0 EFABRO COC(=O)C1CCC([NH2+][C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000192446220 533282295 /nfs/dbraw/zinc/28/22/95/533282295.db2.gz BULWSZYJWYPYPC-XUJLQICISA-N 1 0 348.418 2.643 40 0 EFABRO COc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc(Cl)c1O ZINC000135138704 533551631 /nfs/dbraw/zinc/55/16/31/533551631.db2.gz DZECFKFXWCAPTR-SNVBAGLBSA-N 1 0 328.840 2.760 40 0 EFABRO COC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048968 285483567 /nfs/dbraw/zinc/48/35/67/285483567.db2.gz MANRXEBQSVJHMS-GBESFXJTSA-N 1 0 345.464 2.526 40 0 EFABRO C[NH+]1CCN(c2ccccc2NC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000039983280 132398486 /nfs/dbraw/zinc/39/84/86/132398486.db2.gz PTTRAOPDAMLDPC-UHFFFAOYSA-N 1 0 349.434 2.853 40 0 EFABRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CC[NH3+])CC2 ZINC000095426180 286259697 /nfs/dbraw/zinc/25/96/97/286259697.db2.gz IWZUQBVWTIPTOF-HXUWFJFHSA-N 1 0 340.423 2.527 40 0 EFABRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1c(F)cccc1Br ZINC000122435579 222088472 /nfs/dbraw/zinc/08/84/72/222088472.db2.gz GIMDSWZKTQMYGN-JTQLQIEISA-N 1 0 329.213 2.708 40 0 EFABRO C[C@@H](C[N@H+](C1CCC(C)CC1)C1CCC(O)CC1)CS(C)(=O)=O ZINC000096486849 544558688 /nfs/dbraw/zinc/55/86/88/544558688.db2.gz OGZIRSDYQUFTHX-MVHQMTIDSA-N 1 0 345.549 2.851 40 0 EFABRO O=C(NC[C@@H]1CC=CCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000096487010 544558967 /nfs/dbraw/zinc/55/89/67/544558967.db2.gz QRBFSADNDKLRRE-QGZVFWFLSA-N 1 0 342.483 2.977 40 0 EFABRO C[N@H+](CC1CCOCC1)[C@H](CO)c1cccc(Br)c1 ZINC000096487661 544559834 /nfs/dbraw/zinc/55/98/34/544559834.db2.gz CXLJIKJABUGWQQ-OAHLLOKOSA-N 1 0 328.250 2.841 40 0 EFABRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1ccoc1)c1ccccc1O2 ZINC000129470664 544646414 /nfs/dbraw/zinc/64/64/14/544646414.db2.gz MWXZRKZHQVTFIO-QGZVFWFLSA-N 1 0 340.423 2.927 40 0 EFABRO CC(C)c1occc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000280081625 273288615 /nfs/dbraw/zinc/28/86/15/273288615.db2.gz RHBMAAUNFNBELX-UHFFFAOYSA-N 1 0 328.416 2.802 40 0 EFABRO CC(C)NC(=O)c1ccc2c(c1)C1(CC[NH+](CC3CC3)CC1)C(=O)N2 ZINC000101915964 273539689 /nfs/dbraw/zinc/53/96/89/273539689.db2.gz ZEILSOIMVLKFNI-UHFFFAOYSA-N 1 0 341.455 2.521 40 0 EFABRO COCC[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244677 274033347 /nfs/dbraw/zinc/03/33/47/274033347.db2.gz AJPVFRMOEPRZGM-FQEVSTJZSA-N 1 0 339.439 2.572 40 0 EFABRO COCCNC(=O)C1=CC2(CC[NH+](CC(C)C)CC2)c2ccccc21 ZINC000096241611 274035948 /nfs/dbraw/zinc/03/59/48/274035948.db2.gz DPAYXHLAVXSPKA-UHFFFAOYSA-N 1 0 342.483 2.836 40 0 EFABRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccncc1)CC2 ZINC000253418783 274100785 /nfs/dbraw/zinc/10/07/85/274100785.db2.gz VDLDBGXTSVFKOH-UHFFFAOYSA-N 1 0 328.412 2.708 40 0 EFABRO O[C@@H](C[N@@H+]1CCCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000019656844 275051037 /nfs/dbraw/zinc/05/10/37/275051037.db2.gz ZELPTZHGNDWTRR-KRWDZBQOSA-N 1 0 331.847 2.981 40 0 EFABRO Brc1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc1 ZINC000097102092 275376242 /nfs/dbraw/zinc/37/62/42/275376242.db2.gz RCAJKOGSLSETGC-CYBMUJFWSA-N 1 0 325.254 2.694 40 0 EFABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000035622926 275523244 /nfs/dbraw/zinc/52/32/44/275523244.db2.gz HLKRLEGOUNMEFF-GJZGRUSLSA-N 1 0 339.867 2.939 40 0 EFABRO CCCC(=O)N[C@@H]1CC2(CC[NH+](CCOC)CC2)Oc2ccccc21 ZINC000096242759 276224003 /nfs/dbraw/zinc/22/40/03/276224003.db2.gz DKIGCUVYKCPDRV-QGZVFWFLSA-N 1 0 346.471 2.908 40 0 EFABRO CCS(=O)(=O)N1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241361 276390097 /nfs/dbraw/zinc/39/00/97/276390097.db2.gz XQHLQFRTEXVKHD-UHFFFAOYSA-N 1 0 334.485 2.600 40 0 EFABRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096242696 277035509 /nfs/dbraw/zinc/03/55/09/277035509.db2.gz FUERKZOBMNDWTN-QGZVFWFLSA-N 1 0 337.423 2.800 40 0 EFABRO CC(=O)c1c(F)cc(F)cc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000095439112 277102517 /nfs/dbraw/zinc/10/25/17/277102517.db2.gz MHRWLYGZIWETLC-AWEZNQCLSA-N 1 0 327.371 2.639 40 0 EFABRO CN1CC[C@]2(C[N@H+](Cc3nccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201843 277186852 /nfs/dbraw/zinc/18/68/52/277186852.db2.gz CWFQEGODXIPTIU-MAUKXSAKSA-N 1 0 327.453 2.591 40 0 EFABRO COCC[NH+]1CCC2(C[C@@H](NC(=O)C(C)C)c3ccccc32)CC1 ZINC000096241448 277219950 /nfs/dbraw/zinc/21/99/50/277219950.db2.gz PJGOOVIKWMJZEZ-GOSISDBHSA-N 1 0 330.472 2.884 40 0 EFABRO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000077261897 277430387 /nfs/dbraw/zinc/43/03/87/277430387.db2.gz XSHHHLLUBSGLSI-NCXUSEDFSA-N 1 0 347.842 2.716 40 0 biogenic,in-vitro EFABRO COCC[NH+]1CCC2(C[C@H](NC(=O)C3CC3)c3ccccc32)CC1 ZINC000096079003 277515002 /nfs/dbraw/zinc/51/50/02/277515002.db2.gz ULVYCXYJZIXDJG-SFHVURJKSA-N 1 0 328.456 2.638 40 0 EFABRO COc1ccc(C[NH2+]C[C@H]2COCc3nc4cc(C)ccc4n32)cn1 ZINC000096112822 277896610 /nfs/dbraw/zinc/89/66/10/277896610.db2.gz MSFVSJAVXXBNSB-HNNXBMFYSA-N 1 0 338.411 2.609 40 0 biogenic,in-vitro EFABRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c(Br)c1 ZINC000096493410 277924952 /nfs/dbraw/zinc/92/49/52/277924952.db2.gz GVQQEFUAAJUAFF-MNOVXSKESA-N 1 0 341.249 2.729 40 0 EFABRO COc1cccc(C[NH+]2CCC3(CC2)OCCc2cnc(C)nc23)c1 ZINC000012126178 278010342 /nfs/dbraw/zinc/01/03/42/278010342.db2.gz IQFRKIRLEPCKSY-UHFFFAOYSA-N 1 0 339.439 2.858 40 0 EFABRO CC(C)c1nccn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257243503 278080850 /nfs/dbraw/zinc/08/08/50/278080850.db2.gz IHIAFFKPWXDYJX-QGZVFWFLSA-N 1 0 326.444 2.570 40 0 EFABRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179272 278400176 /nfs/dbraw/zinc/40/01/76/278400176.db2.gz ZDRIFGCXKYIGRW-OAHLLOKOSA-N 1 0 339.867 2.893 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000096436014 279902817 /nfs/dbraw/zinc/90/28/17/279902817.db2.gz ABZACMXNDGUIAM-QGZVFWFLSA-N 1 0 340.414 2.716 40 0 EFABRO CCc1ccc([C@H]2CN(C(=O)c3ccccn3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257237530 281429486 /nfs/dbraw/zinc/42/94/86/281429486.db2.gz HGXVZRZEPAARQA-QWFCFKBJSA-N 1 0 335.451 2.862 40 0 EFABRO CN1CN(c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000001698079 290259795 /nfs/dbraw/zinc/25/97/95/290259795.db2.gz UYFYPEANMLJLKO-UHFFFAOYSA-N 1 0 335.451 2.957 40 0 EFABRO Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223253006 302312166 /nfs/dbraw/zinc/31/21/66/302312166.db2.gz BWFULUAQLLIRFM-GJZGRUSLSA-N 1 0 346.525 2.986 40 0 EFABRO OC[C@@H]1CCCN(c2cc(N[C@@H]3CCCC(F)(F)C3)ncn2)C1 ZINC000330172167 311308068 /nfs/dbraw/zinc/30/80/68/311308068.db2.gz GDIXWYDDDJORFA-CHWSQXEVSA-N 1 0 326.391 2.675 40 0 EFABRO Cc1cc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n(C)n1 ZINC000417751365 312265451 /nfs/dbraw/zinc/26/54/51/312265451.db2.gz PHJSJXQDJCNZRP-UHFFFAOYSA-N 1 0 336.443 2.893 40 0 EFABRO CCn1nncc1C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000459433105 313106905 /nfs/dbraw/zinc/10/69/05/313106905.db2.gz BLUWKIIXCZXCRN-JTQLQIEISA-N 1 0 339.237 2.920 40 0 EFABRO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)C(=O)N1CCCC[C@@H]1C ZINC000097236323 323214216 /nfs/dbraw/zinc/21/42/16/323214216.db2.gz FUAXXSRIZVDXPN-UONOGXRCSA-N 1 0 349.441 2.782 40 0 EFABRO O=C1[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000127902432 323217763 /nfs/dbraw/zinc/21/77/63/323217763.db2.gz HAFHNRBMUJQACW-LPEHRKFASA-N 1 0 332.288 2.860 40 0 EFABRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000081659441 473240578 /nfs/dbraw/zinc/24/05/78/473240578.db2.gz CFZCTVXRIDOKNS-UHFFFAOYSA-N 1 0 342.443 2.558 40 0 EFABRO c1cc(N2CCCC2)cn2nc(C3CC[NH+](CC4CC4)CC3)nc12 ZINC000096038283 473259104 /nfs/dbraw/zinc/25/91/04/473259104.db2.gz NUFWMUGMLIZSBH-UHFFFAOYSA-N 1 0 325.460 2.919 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040441 473261066 /nfs/dbraw/zinc/26/10/66/473261066.db2.gz CAKIHSVVOFRMSV-IEBWSBKVSA-N 1 0 332.444 2.511 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCC3)C2)cn1 ZINC000096040283 473262253 /nfs/dbraw/zinc/26/22/53/473262253.db2.gz NPZVKGKWKHXSNQ-RBUKOAKNSA-N 1 0 333.476 2.608 40 0 EFABRO O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000190407325 473262517 /nfs/dbraw/zinc/26/25/17/473262517.db2.gz GXVUJKOROBPEGR-QRVBRYPASA-N 1 0 345.487 2.501 40 0 EFABRO COC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044688 473265889 /nfs/dbraw/zinc/26/58/89/473265889.db2.gz UUHCTWIMIPMDRW-AWEZNQCLSA-N 1 0 335.835 2.698 40 0 EFABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096046562 473266867 /nfs/dbraw/zinc/26/68/67/473266867.db2.gz XSISIFQTPOQYPK-UHFFFAOYSA-N 1 0 325.412 2.803 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(CCN(c3ncccn3)C2)CC1 ZINC000096046596 473267476 /nfs/dbraw/zinc/26/74/76/473267476.db2.gz YHLQUXYWQLCLNW-UHFFFAOYSA-N 1 0 327.432 2.574 40 0 EFABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096046560 473267491 /nfs/dbraw/zinc/26/74/91/473267491.db2.gz NSPBXMLWXNVCSS-UHFFFAOYSA-N 1 0 325.412 2.803 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)o1 ZINC000096047073 473268430 /nfs/dbraw/zinc/26/84/30/473268430.db2.gz CIKPKFPYRVMNCG-LJQANCHMSA-N 1 0 340.427 2.506 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096047050 473268885 /nfs/dbraw/zinc/26/88/85/473268885.db2.gz WBISRNDLRVPEIE-FQEVSTJZSA-N 1 0 336.439 2.605 40 0 EFABRO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC000096048023 473268987 /nfs/dbraw/zinc/26/89/87/473268987.db2.gz RJAOKRDHQMQYCT-INIZCTEOSA-N 1 0 344.411 2.768 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000096047267 473269147 /nfs/dbraw/zinc/26/91/47/473269147.db2.gz XTFKCSXCJBOPGP-UHFFFAOYSA-N 1 0 336.501 2.633 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096047035 473269432 /nfs/dbraw/zinc/26/94/32/473269432.db2.gz SCSXIMAXTOOFDK-LJQANCHMSA-N 1 0 325.412 2.803 40 0 EFABRO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC000096048020 473269920 /nfs/dbraw/zinc/26/99/20/473269920.db2.gz APFNEPJLSDTSCE-OAHLLOKOSA-N 1 0 344.411 2.768 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC(C)C)CO3)CC2)o1 ZINC000096048163 473271503 /nfs/dbraw/zinc/27/15/03/473271503.db2.gz MFBDXZISCUJJQD-MRXNPFEDSA-N 1 0 334.460 2.874 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048339 473271673 /nfs/dbraw/zinc/27/16/73/473271673.db2.gz YCWLQZVJFMNDNN-RDJZCZTQSA-N 1 0 330.457 2.774 40 0 EFABRO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccco2)C3)nn1 ZINC000096048431 473272550 /nfs/dbraw/zinc/27/25/50/473272550.db2.gz HBVANDHTTWTLFS-MAUKXSAKSA-N 1 0 328.416 2.614 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096049627 473273439 /nfs/dbraw/zinc/27/34/39/473273439.db2.gz DVFAHDVHXIXTDY-GOSISDBHSA-N 1 0 344.484 2.657 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096050506 473273962 /nfs/dbraw/zinc/27/39/62/473273962.db2.gz KQLZPUQISUJZHO-LJQANCHMSA-N 1 0 325.412 2.608 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096049547 473274114 /nfs/dbraw/zinc/27/41/14/473274114.db2.gz ZMMGWAKRKPPLCA-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096050505 473274244 /nfs/dbraw/zinc/27/42/44/473274244.db2.gz KQLZPUQISUJZHO-IBGZPJMESA-N 1 0 325.412 2.608 40 0 EFABRO CC(C)CN1CCN(C)C2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096050048 473274331 /nfs/dbraw/zinc/27/43/31/473274331.db2.gz CXXYWZMYSXNNFB-UHFFFAOYSA-N 1 0 335.517 2.513 40 0 EFABRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC000096054039 473275412 /nfs/dbraw/zinc/27/54/12/473275412.db2.gz PAUBMIAOLPNFEQ-OALUTQOASA-N 1 0 339.414 2.905 40 0 EFABRO Fc1ccc(CN2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052338 473275718 /nfs/dbraw/zinc/27/57/18/473275718.db2.gz WDBLFMSDUUZMCM-WOJBJXKFSA-N 1 0 348.462 2.672 40 0 EFABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2ccoc2)CC3)c1 ZINC000096051689 473276516 /nfs/dbraw/zinc/27/65/16/473276516.db2.gz YPPRLZZLVMNLGN-KRWDZBQOSA-N 1 0 327.428 2.793 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)s1 ZINC000096055893 473278224 /nfs/dbraw/zinc/27/82/24/473278224.db2.gz WAUGNEXGTYOPHC-RCCFBDPRSA-N 1 0 330.453 2.868 40 0 EFABRO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)n1 ZINC000096055075 473278352 /nfs/dbraw/zinc/27/83/52/473278352.db2.gz QZYJRGYUHLKPJL-MOPGFXCFSA-N 1 0 343.496 2.927 40 0 EFABRO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4nccs4)CC[N@@H+]3C2)c1 ZINC000096055145 473278929 /nfs/dbraw/zinc/27/89/29/473278929.db2.gz QGRWLWBWGURQKP-ZBFHGGJFSA-N 1 0 333.432 2.620 40 0 EFABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC000096055763 473279183 /nfs/dbraw/zinc/27/91/83/473279183.db2.gz PAUBMIAOLPNFEQ-RBUKOAKNSA-N 1 0 339.414 2.905 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)s1 ZINC000096057209 473280543 /nfs/dbraw/zinc/28/05/43/473280543.db2.gz ZYBADBZAIAQWGU-NUJGCVRESA-N 1 0 348.512 2.763 40 0 EFABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccco2)cs1 ZINC000096056573 473281279 /nfs/dbraw/zinc/28/12/79/473281279.db2.gz IAYRWFKODQAGGY-HZPDHXFCSA-N 1 0 331.441 2.810 40 0 EFABRO O=C1C[C@@H](c2ccncc2)C2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096061542 473285226 /nfs/dbraw/zinc/28/52/26/473285226.db2.gz QRVFLJFDEZSOIU-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1ccc(C[N@H+]2CCc3nnc(CN(C)C(C)C)n3CC2)s1 ZINC000096058952 473283258 /nfs/dbraw/zinc/28/32/58/473283258.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 1 0 333.505 2.547 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccco2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000096061309 473284758 /nfs/dbraw/zinc/28/47/58/473284758.db2.gz OASXTPQNZBHMCN-VDZJLULYSA-N 1 0 332.444 2.662 40 0 EFABRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096061237 473285824 /nfs/dbraw/zinc/28/58/24/473285824.db2.gz PTGLLGMSJUYPQV-SFHVURJKSA-N 1 0 346.446 2.962 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccco2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000096061308 473286023 /nfs/dbraw/zinc/28/60/23/473286023.db2.gz OASXTPQNZBHMCN-KVSKMBFKSA-N 1 0 332.444 2.662 40 0 EFABRO C[C@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096062246 473286275 /nfs/dbraw/zinc/28/62/75/473286275.db2.gz JMCNMZROIASAPI-OAHLLOKOSA-N 1 0 346.446 2.818 40 0 EFABRO Cc1oncc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC000096062961 473286517 /nfs/dbraw/zinc/28/65/17/473286517.db2.gz UEOBEMSYZHPSAM-SFHVURJKSA-N 1 0 329.400 2.704 40 0 EFABRO C[N@H+](Cc1ccccn1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096063163 473286727 /nfs/dbraw/zinc/28/67/27/473286727.db2.gz QPJFZSMXPVMWMZ-UHFFFAOYSA-N 1 0 341.434 2.892 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccc2)C1 ZINC000096064944 473287561 /nfs/dbraw/zinc/28/75/61/473287561.db2.gz SIKDEQIYGYPMAA-BHIYHBOVSA-N 1 0 340.423 2.575 40 0 EFABRO Cc1ccsc1C(=O)N1CC[C@@H]2CO[C@@H](C[NH+]3CCCC3)[C@@H]2C1 ZINC000096064331 473288186 /nfs/dbraw/zinc/28/81/86/473288186.db2.gz KFJLQVOOMILVII-OAGGEKHMSA-N 1 0 334.485 2.629 40 0 EFABRO CC(C)C[N@@H+]1CCC[C@]12CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096071085 473289703 /nfs/dbraw/zinc/28/97/03/473289703.db2.gz HPNXVOLXJOFNDI-GOSISDBHSA-N 1 0 336.501 2.713 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291544 /nfs/dbraw/zinc/29/15/44/473291544.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 1 0 346.450 2.758 40 0 EFABRO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2CCCc2ccccc2)C1 ZINC000096080532 473291616 /nfs/dbraw/zinc/29/16/16/473291616.db2.gz KCMRLOYMRIECIP-WBVHZDCISA-N 1 0 327.453 2.532 40 0 EFABRO CN(C)CC[NH+]1CCC2(CCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000096089589 473292780 /nfs/dbraw/zinc/29/27/80/473292780.db2.gz JNUFLOSRPAQNBB-UHFFFAOYSA-N 1 0 347.478 2.706 40 0 EFABRO CC(C)n1nc(C[N@H+](C)C(C)C)c2c1CN(Cc1cnn(C)c1)CC2 ZINC000096084218 473293893 /nfs/dbraw/zinc/29/38/93/473293893.db2.gz JJBWMFSDXFBECN-UHFFFAOYSA-N 1 0 344.507 2.596 40 0 EFABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cnn(C)c3)C2)C1=O ZINC000096100301 473295863 /nfs/dbraw/zinc/29/58/63/473295863.db2.gz UTASYXCXAYHDPO-FQEVSTJZSA-N 1 0 338.455 2.566 40 0 EFABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096100332 473296127 /nfs/dbraw/zinc/29/61/27/473296127.db2.gz IGHZLYVOKCIVGS-NRFANRHFSA-N 1 0 333.435 2.982 40 0 EFABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1cccnc1)C2 ZINC000096100334 473296246 /nfs/dbraw/zinc/29/62/46/473296246.db2.gz LONSGYSJFKQVQX-NRFANRHFSA-N 1 0 333.435 2.982 40 0 EFABRO O=C(c1ccsc1)N1CCO[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096108078 473300066 /nfs/dbraw/zinc/30/00/66/473300066.db2.gz BVNJVPHQPPNNQP-GDBMZVCRSA-N 1 0 348.493 2.783 40 0 EFABRO c1ccc(OC[C@H]2CC3(CO2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106205 473298074 /nfs/dbraw/zinc/29/80/74/473298074.db2.gz LNCAMRFTNWPHKK-GOSISDBHSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096107786 473300198 /nfs/dbraw/zinc/30/01/98/473300198.db2.gz KXZNCQANKDQFDB-MSOLQXFVSA-N 1 0 345.468 2.797 40 0 EFABRO c1ccc(CC[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cc1 ZINC000096108968 473302017 /nfs/dbraw/zinc/30/20/17/473302017.db2.gz XHNFGAMKWWVDNR-NHCUHLMSSA-N 1 0 338.451 2.789 40 0 EFABRO Fc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096109014 473302234 /nfs/dbraw/zinc/30/22/34/473302234.db2.gz ZAGZQINTMUEOBE-XLIONFOSSA-N 1 0 342.414 2.886 40 0 EFABRO Fc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108771 473302497 /nfs/dbraw/zinc/30/24/97/473302497.db2.gz RBXBNUGNORSYPE-UYAOXDASSA-N 1 0 349.446 2.717 40 0 EFABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cs1 ZINC000096108865 473302535 /nfs/dbraw/zinc/30/25/35/473302535.db2.gz UVASNBUKXHQEGJ-QZTJIDSGSA-N 1 0 330.453 2.808 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000096111109 473303223 /nfs/dbraw/zinc/30/32/23/473303223.db2.gz PPHMEFYLWRJMFB-SFHVURJKSA-N 1 0 346.446 2.866 40 0 EFABRO c1cncc(C[N@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096110373 473304111 /nfs/dbraw/zinc/30/41/11/473304111.db2.gz ISSNADORRNDPRM-MOPGFXCFSA-N 1 0 325.412 2.537 40 0 EFABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2OC)cc1 ZINC000096110547 473304236 /nfs/dbraw/zinc/30/42/36/473304236.db2.gz FMQZHCPUZRIZHS-HKUYNNGSSA-N 1 0 329.444 2.508 40 0 EFABRO c1cncc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096110407 473304398 /nfs/dbraw/zinc/30/43/98/473304398.db2.gz XIAWANXCMYESDT-UXHICEINSA-N 1 0 339.439 2.674 40 0 EFABRO O=C(NCCc1ccccc1)[C@@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096110014 473304428 /nfs/dbraw/zinc/30/44/28/473304428.db2.gz FQBFYEYUIUKKAU-IBGZPJMESA-N 1 0 342.483 2.769 40 0 EFABRO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](CCC(C)C)C2 ZINC000096111940 473304815 /nfs/dbraw/zinc/30/48/15/473304815.db2.gz YQNFIRHNTZBJLD-RDJZCZTQSA-N 1 0 332.444 2.547 40 0 biogenic,in-vitro EFABRO COCCC(=O)N1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC000096157463 473315800 /nfs/dbraw/zinc/31/58/00/473315800.db2.gz GPQLEDRHZCRQLA-UHFFFAOYSA-N 1 0 346.471 2.546 40 0 EFABRO O=C(N1CCCC1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096157429 473316128 /nfs/dbraw/zinc/31/61/28/473316128.db2.gz CMMXDLWSIGFESJ-UHFFFAOYSA-N 1 0 328.460 2.585 40 0 EFABRO COCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096158427 473318050 /nfs/dbraw/zinc/31/80/50/473318050.db2.gz FDHJYFMSLWSEOV-UHFFFAOYSA-N 1 0 330.472 2.846 40 0 EFABRO Cc1cccc(C[NH+]2CCC3(CCN(c4cccnc4)C3=O)CC2)n1 ZINC000096157887 473318081 /nfs/dbraw/zinc/31/80/81/473318081.db2.gz XHRCYCKCHIZGDO-UHFFFAOYSA-N 1 0 336.439 2.804 40 0 EFABRO Cn1cccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096158142 473318401 /nfs/dbraw/zinc/31/84/01/473318401.db2.gz FFEUSRXZANGJQI-HXUWFJFHSA-N 1 0 338.455 2.548 40 0 EFABRO Fc1cnc(N2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000096158376 473318929 /nfs/dbraw/zinc/31/89/29/473318929.db2.gz XNYAQJMLYIBBBU-UHFFFAOYSA-N 1 0 341.434 2.893 40 0 EFABRO Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3cccnc3)CC[N@@H+]2C1 ZINC000096183571 473324767 /nfs/dbraw/zinc/32/47/67/473324767.db2.gz XAGDKUWLADAVDA-RBUKOAKNSA-N 1 0 341.430 2.696 40 0 EFABRO Cc1cnc(N2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2ccccn2)nc1 ZINC000096183051 473324839 /nfs/dbraw/zinc/32/48/39/473324839.db2.gz FFHMTAVDRKLYBU-NZSAHSFTSA-N 1 0 337.471 2.917 40 0 EFABRO O=C1N(c2cccnc2)CC[C@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096159508 473320323 /nfs/dbraw/zinc/32/03/23/473320323.db2.gz IHEFVGKIVMFGGT-IBGZPJMESA-N 1 0 325.387 2.850 40 0 EFABRO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184470 473325987 /nfs/dbraw/zinc/32/59/87/473325987.db2.gz JSOFYVYVZUIKMC-JKSUJKDBSA-N 1 0 334.485 2.772 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1 ZINC000096184571 473326097 /nfs/dbraw/zinc/32/60/97/473326097.db2.gz HQCVBAGRCDGBIT-SJORKVTESA-N 1 0 327.453 2.941 40 0 EFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)N1CC1CCOCC1 ZINC000096186324 473326418 /nfs/dbraw/zinc/32/64/18/473326418.db2.gz JPGXVLORPDCDNA-IRXDYDNUSA-N 1 0 334.485 2.740 40 0 EFABRO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184444 473327489 /nfs/dbraw/zinc/32/74/89/473327489.db2.gz KFFXDRPFTHOQQR-ZWKOTPCHSA-N 1 0 332.419 2.541 40 0 EFABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccoc2)cs1 ZINC000096186368 473328785 /nfs/dbraw/zinc/32/87/85/473328785.db2.gz MVEVJTLXOYCLIT-HZPDHXFCSA-N 1 0 331.441 2.810 40 0 EFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)N1Cc1ccncc1 ZINC000096186391 473329772 /nfs/dbraw/zinc/32/97/72/473329772.db2.gz XBRPXFAVCCYGIQ-IRXDYDNUSA-N 1 0 327.453 2.909 40 0 EFABRO O=C(NCc1cncc2c1CC[N@H+](Cc1ccncc1)C2)c1ccco1 ZINC000096189506 473330735 /nfs/dbraw/zinc/33/07/35/473330735.db2.gz PTFAQCXFAKNQIE-UHFFFAOYSA-N 1 0 348.406 2.558 40 0 EFABRO CC(C)[N@H+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2cccs2)C1 ZINC000096188326 473331541 /nfs/dbraw/zinc/33/15/41/473331541.db2.gz QZGNJXGORDDHLG-CQSZACIVSA-N 1 0 332.473 2.557 40 0 EFABRO Cc1ccc(C[NH2+][C@@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)o1 ZINC000096196588 473333243 /nfs/dbraw/zinc/33/32/43/473333243.db2.gz LQIVSCBADAMRHV-GOSISDBHSA-N 1 0 349.434 2.840 40 0 EFABRO O=C1N(c2cccnc2)CC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096202956 473336793 /nfs/dbraw/zinc/33/67/93/473336793.db2.gz LZEUKNCEQVCNOC-UHFFFAOYSA-N 1 0 325.387 2.850 40 0 EFABRO C[C@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1cccs1)CC2 ZINC000096201556 473337462 /nfs/dbraw/zinc/33/74/62/473337462.db2.gz URGHEUUDQCTFMI-CQSZACIVSA-N 1 0 334.485 2.740 40 0 EFABRO O=C1N(Cc2cccnc2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000096202867 473337513 /nfs/dbraw/zinc/33/75/13/473337513.db2.gz GDAVSDFZUFPJGB-UHFFFAOYSA-N 1 0 327.453 2.768 40 0 EFABRO c1csc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)n1 ZINC000096200810 473337699 /nfs/dbraw/zinc/33/76/99/473337699.db2.gz YNXJACPRSKXBNM-MSOLQXFVSA-N 1 0 343.496 2.661 40 0 EFABRO O=C(c1cccs1)N1CCOC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202150 473337722 /nfs/dbraw/zinc/33/77/22/473337722.db2.gz YEUSXSCYSAGFHS-SFHVURJKSA-N 1 0 346.452 2.706 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]21)N1CCCC1 ZINC000096207031 473342994 /nfs/dbraw/zinc/34/29/94/473342994.db2.gz JLCQVYPFVARFEZ-AQNXPRMDSA-N 1 0 342.483 2.579 40 0 EFABRO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)[N@@H+]1C ZINC000096208204 473343226 /nfs/dbraw/zinc/34/32/26/473343226.db2.gz MOJHSIBNSSGRJS-KRWDZBQOSA-N 1 0 334.435 2.931 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C3CC3)C2)s1 ZINC000096207195 473343688 /nfs/dbraw/zinc/34/36/88/473343688.db2.gz LTBKOTQRYJJULF-MJGOQNOKSA-N 1 0 348.512 2.954 40 0 EFABRO COC[C@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096206419 473339858 /nfs/dbraw/zinc/33/98/58/473339858.db2.gz NBHRHWFDIVTDCX-SFHVURJKSA-N 1 0 346.471 2.685 40 0 EFABRO COCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096203117 473339885 /nfs/dbraw/zinc/33/98/85/473339885.db2.gz XIRGNBZNYCVMAY-GOSISDBHSA-N 1 0 336.863 2.801 40 0 EFABRO c1cncc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096205854 473340571 /nfs/dbraw/zinc/34/05/71/473340571.db2.gz MILGTVIWQBMGBY-LJQANCHMSA-N 1 0 339.439 2.817 40 0 EFABRO CCOC[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@@H+]1CC1CC1 ZINC000096206430 473340666 /nfs/dbraw/zinc/34/06/66/473340666.db2.gz OANOYBGFFNACSH-LJQANCHMSA-N 1 0 346.519 2.666 40 0 EFABRO c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)co1 ZINC000096207541 473341710 /nfs/dbraw/zinc/34/17/10/473341710.db2.gz VXENZBMFKDUWLA-OAGGEKHMSA-N 1 0 329.400 2.620 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cccc(C)n1)CC2 ZINC000096207258 473342290 /nfs/dbraw/zinc/34/22/90/473342290.db2.gz MJPPASGXKBTXNN-KRWDZBQOSA-N 1 0 345.487 2.742 40 0 EFABRO CCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@@H+]1CC1CC1 ZINC000096208258 473342311 /nfs/dbraw/zinc/34/23/11/473342311.db2.gz HWDCBZWFNHOZMD-KRWDZBQOSA-N 1 0 348.466 2.866 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)o1 ZINC000096208068 473342819 /nfs/dbraw/zinc/34/28/19/473342819.db2.gz XIUNXRCSOGEAFA-KDOFPFPSSA-N 1 0 329.400 2.540 40 0 EFABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096216914 473348693 /nfs/dbraw/zinc/34/86/93/473348693.db2.gz QGEWELSZQYSZKH-AZUAARDMSA-N 1 0 341.455 2.645 40 0 EFABRO COC[C@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096209177 473344283 /nfs/dbraw/zinc/34/42/83/473344283.db2.gz UFLHGPQZISXEQU-KRWDZBQOSA-N 1 0 348.512 2.845 40 0 EFABRO CN(C)C(=O)CO[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1Cc1ccccc1 ZINC000096208768 473344810 /nfs/dbraw/zinc/34/48/10/473344810.db2.gz JAAGCVITJCSCLO-HKUYNNGSSA-N 1 0 330.472 2.577 40 0 EFABRO Cc1cncc(C(=O)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCCC2)O3)c1 ZINC000096209180 473345743 /nfs/dbraw/zinc/34/57/43/473345743.db2.gz IMRMURMPAOXZKM-UYAOXDASSA-N 1 0 343.471 2.640 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3NC(=O)C3CC3)CC2)s1 ZINC000096216356 473346941 /nfs/dbraw/zinc/34/69/41/473346941.db2.gz ODLSHIJFHQHAPK-KRWDZBQOSA-N 1 0 348.512 2.954 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000096217644 473349093 /nfs/dbraw/zinc/34/90/93/473349093.db2.gz OYOOIUMKNXRHOP-VQIMIIECSA-N 1 0 348.512 2.877 40 0 EFABRO O=C([C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)N1CCCO1 ZINC000096216616 473349212 /nfs/dbraw/zinc/34/92/12/473349212.db2.gz FHFCIDQLSJEOIQ-QGZVFWFLSA-N 1 0 348.418 2.503 40 0 EFABRO COc1ccc(CN2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)cc1 ZINC000096217626 473349227 /nfs/dbraw/zinc/34/92/27/473349227.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 1 0 344.499 2.876 40 0 EFABRO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CC)C[C@H]3COC)cc1 ZINC000096217655 473350370 /nfs/dbraw/zinc/35/03/70/473350370.db2.gz XXEMCOMRTJCRNV-AZUAARDMSA-N 1 0 330.472 2.679 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)s1 ZINC000096220246 473353636 /nfs/dbraw/zinc/35/36/36/473353636.db2.gz CLIUNKFIPAYNDZ-ZTFGCOKTSA-N 1 0 330.453 2.977 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)Cc1ccco1)CC2 ZINC000096219326 473351402 /nfs/dbraw/zinc/35/14/02/473351402.db2.gz NCKSIVMPLNJTFR-MRXNPFEDSA-N 1 0 334.460 2.560 40 0 EFABRO Cc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219498 473352378 /nfs/dbraw/zinc/35/23/78/473352378.db2.gz DAJPQBWOAQOSTH-WMLDXEAASA-N 1 0 330.457 2.692 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096220296 473353204 /nfs/dbraw/zinc/35/32/04/473353204.db2.gz JPFPAFMVCXCLNA-QUCCMNQESA-N 1 0 329.488 2.570 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1scnc1C)C2 ZINC000096220096 473354153 /nfs/dbraw/zinc/35/41/53/473354153.db2.gz MKZLHDFNAFOHLO-WMZOPIPTSA-N 1 0 335.517 2.632 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NCC(C)C)=NO3)C2)cc1C ZINC000096225469 473357562 /nfs/dbraw/zinc/35/75/62/473357562.db2.gz QVFOXQFYUFSDIU-HXUWFJFHSA-N 1 0 343.471 2.796 40 0 EFABRO c1coc(CN2CCO[C@@]3(CCC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC000096226746 473358081 /nfs/dbraw/zinc/35/80/81/473358081.db2.gz YUADQZOXEVAWCY-LJQANCHMSA-N 1 0 327.428 2.542 40 0 EFABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccoc1)CC2 ZINC000096240380 473362866 /nfs/dbraw/zinc/36/28/66/473362866.db2.gz FKHUBGBNUNXBIT-QGZVFWFLSA-N 1 0 342.443 2.577 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000096229123 473358710 /nfs/dbraw/zinc/35/87/10/473358710.db2.gz SYCVCOTZZULENO-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)c1 ZINC000096229150 473358837 /nfs/dbraw/zinc/35/88/37/473358837.db2.gz RVUQQGHMZBXFND-GOSISDBHSA-N 1 0 344.484 2.657 40 0 EFABRO c1coc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229020 473358925 /nfs/dbraw/zinc/35/89/25/473358925.db2.gz DENSVSAETHIMLW-IBGZPJMESA-N 1 0 327.428 2.794 40 0 EFABRO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096230257 473358944 /nfs/dbraw/zinc/35/89/44/473358944.db2.gz KYCBIOBVZGZTEN-UHFFFAOYSA-N 1 0 347.478 2.590 40 0 EFABRO COCC[NH+]1CCC2(C[C@H](NC(=O)C(C)C)c3ccccc32)CC1 ZINC000096241449 473362996 /nfs/dbraw/zinc/36/29/96/473362996.db2.gz PJGOOVIKWMJZEZ-SFHVURJKSA-N 1 0 330.472 2.884 40 0 EFABRO O=C1C[C@]2(CC[N@@H+](C3CCOCC3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239071 473360886 /nfs/dbraw/zinc/36/08/86/473360886.db2.gz FTPQSFZGTLZNIJ-SFHVURJKSA-N 1 0 336.382 2.573 40 0 EFABRO Cc1noc(C)c1CN1C[C@@]2(CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000096239401 473361167 /nfs/dbraw/zinc/36/11/67/473361167.db2.gz RBRAMJDCPQANCJ-FQEVSTJZSA-N 1 0 339.439 2.916 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccncc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239722 473361713 /nfs/dbraw/zinc/36/17/13/473361713.db2.gz XNGUCMVYVJNLLP-QGZVFWFLSA-N 1 0 345.397 2.609 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3C)CC2)o1 ZINC000096261163 473367276 /nfs/dbraw/zinc/36/72/76/473367276.db2.gz JSTYXJRJUYFKEI-GOSISDBHSA-N 1 0 339.439 2.964 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239673 473363174 /nfs/dbraw/zinc/36/31/74/473363174.db2.gz GKUCXUDWXLPSCA-KRWDZBQOSA-N 1 0 345.397 2.609 40 0 EFABRO Cc1ccc(CN2CCO[C@H]3C[N@H+](CCc4ccccc4)C[C@H]32)o1 ZINC000096248804 473365012 /nfs/dbraw/zinc/36/50/12/473365012.db2.gz UPDYHUQDPNJACS-UXHICEINSA-N 1 0 326.440 2.716 40 0 EFABRO Cc1ccsc1C(=O)N1CCc2c(C[NH+]3CCCC3)nn(C)c2C1 ZINC000096255894 473366797 /nfs/dbraw/zinc/36/67/97/473366797.db2.gz DKFHDDLRHQODEU-UHFFFAOYSA-N 1 0 344.484 2.584 40 0 EFABRO Cc1ccc(C(C)(C)C[NH2+]Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000096403987 473380779 /nfs/dbraw/zinc/38/07/79/473380779.db2.gz KENHETFGMCGBGC-UHFFFAOYSA-N 1 0 340.471 2.689 40 0 EFABRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(N(C)C)nc3)C2)CC1 ZINC000096402558 473378771 /nfs/dbraw/zinc/37/87/71/473378771.db2.gz NZUFSBZKYORSMF-QGZVFWFLSA-N 1 0 344.503 2.732 40 0 EFABRO CC(C)NC(=O)CC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000096403963 473379979 /nfs/dbraw/zinc/37/99/79/473379979.db2.gz AIDOOQCIPUQFTC-UHFFFAOYSA-N 1 0 347.440 2.543 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([S@](C)=O)c1)c1ccccc1 ZINC000096410671 473389950 /nfs/dbraw/zinc/38/99/50/473389950.db2.gz SMUCUZKUIUPFLO-MZNJEOGPSA-N 1 0 345.468 2.848 40 0 EFABRO O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171452111 473391113 /nfs/dbraw/zinc/39/11/13/473391113.db2.gz MZTFBHVVPOAGFP-MRXNPFEDSA-N 1 0 331.847 2.991 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@@H]1CC=CCC1 ZINC000000098647 471322675 /nfs/dbraw/zinc/32/26/75/471322675.db2.gz DNWJWTMARZAQCW-IAGOWNOFSA-N 1 0 329.464 2.762 40 0 EFABRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000000166992 471330106 /nfs/dbraw/zinc/33/01/06/471330106.db2.gz OXXHXPODIXKWPP-ZBFHGGJFSA-N 1 0 331.412 2.794 40 0 EFABRO CN1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000000532340 471369036 /nfs/dbraw/zinc/36/90/36/471369036.db2.gz KYKIBSVDQXLYGU-UHFFFAOYSA-N 1 0 349.478 2.633 40 0 EFABRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000000785812 471376343 /nfs/dbraw/zinc/37/63/43/471376343.db2.gz MHYDAXNKZOWAKA-UHFFFAOYSA-N 1 0 334.460 2.784 40 0 EFABRO Cc1cc(CSC2=[NH+]CCN2)c(C)cc1CSC1=[NH+]CCN1 ZINC000001735873 471396558 /nfs/dbraw/zinc/39/65/58/471396558.db2.gz SDDKFWPFLNGNMY-UHFFFAOYSA-N 1 0 334.514 2.688 40 0 EFABRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000002637463 471414061 /nfs/dbraw/zinc/41/40/61/471414061.db2.gz TZPYFSIWPKZFSP-UHFFFAOYSA-N 1 0 339.288 2.860 40 0 EFABRO COC(=O)c1ccc(CSc2n[n+]3c(nccc3C)s2)cc1 ZINC000003226843 471435874 /nfs/dbraw/zinc/43/58/74/471435874.db2.gz JVOZVTCNLWQBOR-UHFFFAOYSA-N 1 0 332.430 2.664 40 0 EFABRO CC1(C)[C@@]2(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[C@]1(C)C(=O)O2 ZINC000004041562 471458217 /nfs/dbraw/zinc/45/82/17/471458217.db2.gz CUZDFAGGVFIPNK-MOPGFXCFSA-N 1 0 336.476 2.534 40 0 EFABRO CCC[NH+](CCC)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000004552583 471468597 /nfs/dbraw/zinc/46/85/97/471468597.db2.gz BKGPCIQNPIZWBT-UHFFFAOYSA-N 1 0 332.488 2.973 40 0 EFABRO O=C(C[NH2+]C1CCCCCC1)Nc1ccccc1N1CCOCC1 ZINC000004896087 471477937 /nfs/dbraw/zinc/47/79/37/471477937.db2.gz RMTFUNLFRSYKTC-UHFFFAOYSA-N 1 0 331.460 2.774 40 0 EFABRO CC(C)/C=C/[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000005440257 471505680 /nfs/dbraw/zinc/50/56/80/471505680.db2.gz LFEGCLWKAFYJIE-YGQKLEOUSA-N 1 0 329.440 2.724 40 0 EFABRO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000008253782 471674831 /nfs/dbraw/zinc/67/48/31/471674831.db2.gz OCCJKHXPTFHZTK-UHFFFAOYSA-N 1 0 348.830 2.893 40 0 EFABRO CCOc1cc(CNCCC[NH2+]C)cc(Br)c1OCC ZINC000008253822 471675009 /nfs/dbraw/zinc/67/50/09/471675009.db2.gz VGLLIMRSDAQDFG-UHFFFAOYSA-N 1 0 345.281 2.946 40 0 EFABRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1F ZINC000008267183 471676841 /nfs/dbraw/zinc/67/68/41/471676841.db2.gz XWUQWDSRQZOLTG-UONOGXRCSA-N 1 0 333.407 2.986 40 0 EFABRO C[NH+](C)CCCNC(=O)CSCc1ccc(Br)cc1 ZINC000010111346 471728170 /nfs/dbraw/zinc/72/81/70/471728170.db2.gz VWRQGNAABJVOHQ-UHFFFAOYSA-N 1 0 345.306 2.750 40 0 EFABRO Cc1ccccc1CS(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000010544101 471738353 /nfs/dbraw/zinc/73/83/53/471738353.db2.gz DBYGZYSSUAEMKE-HOTGVXAUSA-N 1 0 338.517 2.782 40 0 EFABRO COc1ccc2c(c1)OCC([C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)=C2 ZINC000011035657 471745645 /nfs/dbraw/zinc/74/56/45/471745645.db2.gz PJNGRJOZLNKVED-QGZVFWFLSA-N 1 0 347.378 2.569 40 0 EFABRO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cc1 ZINC000012142455 471766383 /nfs/dbraw/zinc/76/63/83/471766383.db2.gz BPEHZVGLGTTZJB-QFBILLFUSA-N 1 0 336.439 2.575 40 0 EFABRO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC000012183097 471767284 /nfs/dbraw/zinc/76/72/84/471767284.db2.gz QHZFOGDNLITSDF-OAHLLOKOSA-N 1 0 338.455 2.565 40 0 EFABRO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000012183061 471767556 /nfs/dbraw/zinc/76/75/56/471767556.db2.gz ICMGDSZASDYBPS-UHFFFAOYSA-N 1 0 338.455 2.565 40 0 EFABRO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)CC1 ZINC000012185069 471767824 /nfs/dbraw/zinc/76/78/24/471767824.db2.gz GXCWRGUGHWWQCU-UHFFFAOYSA-N 1 0 344.484 2.626 40 0 EFABRO COc1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)nc3)CC2)cc1 ZINC000012238692 471769604 /nfs/dbraw/zinc/76/96/04/471769604.db2.gz HCVLYXCAZXULGN-UHFFFAOYSA-N 1 0 339.439 2.706 40 0 EFABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1ccc(F)cc1)OCO3 ZINC000012706419 471790451 /nfs/dbraw/zinc/79/04/51/471790451.db2.gz RELKURIRFFHHGF-UHFFFAOYSA-N 1 0 326.327 2.686 40 0 EFABRO Cc1cc2nc(C3CC[NH+](Cc4ccc(C)o4)CC3)cc(N)n2n1 ZINC000013227371 471822337 /nfs/dbraw/zinc/82/23/37/471822337.db2.gz CAXPKAMAKAWNQV-UHFFFAOYSA-N 1 0 325.416 2.901 40 0 EFABRO COc1ccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013668352 471836899 /nfs/dbraw/zinc/83/68/99/471836899.db2.gz ROQDLMQEDBQJBM-INIZCTEOSA-N 1 0 334.460 2.845 40 0 EFABRO Cc1ccc(C[NH2+]Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000013999179 471848049 /nfs/dbraw/zinc/84/80/49/471848049.db2.gz IKHBFIPPYPXVGB-UHFFFAOYSA-N 1 0 336.391 2.898 40 0 EFABRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc(OC)cc1)CN2 ZINC000018164906 471971136 /nfs/dbraw/zinc/97/11/36/471971136.db2.gz DNVPMVJYQWFBIK-UHFFFAOYSA-N 1 0 341.371 2.787 40 0 EFABRO COc1cc(C)ccc1CN1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019134111 471977361 /nfs/dbraw/zinc/97/73/61/471977361.db2.gz YSMYCFBFYMBYPU-GOSISDBHSA-N 1 0 338.455 2.776 40 0 EFABRO Fc1cccc(C2([NH2+]Cc3ccc(N4CCOCC4)nc3)CC2)c1 ZINC000019293620 471978600 /nfs/dbraw/zinc/97/86/00/471978600.db2.gz GXIQDENRCMBODD-UHFFFAOYSA-N 1 0 327.403 2.836 40 0 EFABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)OCCO2 ZINC000019712133 471983455 /nfs/dbraw/zinc/98/34/55/471983455.db2.gz OKAUWIHZKOQRPA-JKSUJKDBSA-N 1 0 330.428 2.547 40 0 EFABRO COCC(=O)N1CCCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@]21C ZINC000019713443 471984390 /nfs/dbraw/zinc/98/43/90/471984390.db2.gz LLFIFFSGTBHMJM-HBFSDRIKSA-N 1 0 330.472 2.767 40 0 EFABRO CNc1cc(C[N@H+](C)CC(C)(C)C)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759910 471984933 /nfs/dbraw/zinc/98/49/33/471984933.db2.gz KVGJANGNAGMTSS-OAHLLOKOSA-N 1 0 333.480 2.680 40 0 EFABRO Cc1ccc(N2C(=O)c3ccccc3/C(=C/NCC[NH+](C)C)C2=O)cc1 ZINC000020815751 471993740 /nfs/dbraw/zinc/99/37/40/471993740.db2.gz YBRUUQYWOHKPTL-RGEXLXHISA-N 1 0 349.434 2.674 40 0 EFABRO Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067206439 472005206 /nfs/dbraw/zinc/00/52/06/472005206.db2.gz FTLHQZXSMRVUGH-HNNXBMFYSA-N 1 0 340.471 2.851 40 0 EFABRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC(C)(C)C)CC1 ZINC000041578045 472070598 /nfs/dbraw/zinc/07/05/98/472070598.db2.gz MXPPEOFAZFBLRO-UHFFFAOYSA-N 1 0 331.504 2.877 40 0 EFABRO COc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000025313807 472090646 /nfs/dbraw/zinc/09/06/46/472090646.db2.gz FSUAYQZRORTJRY-KRWDZBQOSA-N 1 0 327.428 2.990 40 0 EFABRO COc1ccc(NC(=O)[C@@H](C)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000026439334 472136253 /nfs/dbraw/zinc/13/62/53/472136253.db2.gz JSNHYDWRSBVZTL-MRXNPFEDSA-N 1 0 345.487 2.973 40 0 EFABRO Cc1csc(N2CC[NH+]([C@H](C)Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000026892432 472154600 /nfs/dbraw/zinc/15/46/00/472154600.db2.gz ZDFJACWXFWFFKY-CQSZACIVSA-N 1 0 345.468 2.933 40 0 in-man EFABRO Cc1cccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000042646318 472154866 /nfs/dbraw/zinc/15/48/66/472154866.db2.gz VIOGMRXEERNSFD-UHFFFAOYSA-N 1 0 331.460 2.667 40 0 EFABRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000075862089 472212573 /nfs/dbraw/zinc/21/25/73/472212573.db2.gz SQLYOORZGMLKSP-CYBMUJFWSA-N 1 0 329.366 2.704 40 0 EFABRO OCC[NH+](CCO)CCc1ccc(CSc2ccccc2)cc1 ZINC000068606139 472218420 /nfs/dbraw/zinc/21/84/20/472218420.db2.gz OVRSJALEMYZBSV-UHFFFAOYSA-N 1 0 331.481 2.808 40 0 EFABRO C[C@H](C[NH3+])n1cc(-c2ccc(I)cc2)cn1 ZINC000085393784 472241697 /nfs/dbraw/zinc/24/16/97/472241697.db2.gz ITHIYZCMPXYOND-SECBINFHSA-N 1 0 327.169 2.674 40 0 EFABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000085468218 472251847 /nfs/dbraw/zinc/25/18/47/472251847.db2.gz VJCKBMUMTUHZDD-HNNXBMFYSA-N 1 0 349.906 2.828 40 0 EFABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)Nc2cccs2)CC1 ZINC000085468303 472252018 /nfs/dbraw/zinc/25/20/18/472252018.db2.gz RKUFYCKPMDVSJX-CQSZACIVSA-N 1 0 336.505 2.628 40 0 EFABRO Cc1csc(C(=O)N2CCC(C[N@H+]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000085468124 472252158 /nfs/dbraw/zinc/25/21/58/472252158.db2.gz HXIOKPOLMKOWHF-HNNXBMFYSA-N 1 0 335.517 2.545 40 0 EFABRO COCC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000085467941 472252408 /nfs/dbraw/zinc/25/24/08/472252408.db2.gz RQVJYBUJXLGOKA-UHFFFAOYSA-N 1 0 330.350 2.546 40 0 EFABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000085468211 472252457 /nfs/dbraw/zinc/25/24/57/472252457.db2.gz KYQMSCAJKFHCIW-HNNXBMFYSA-N 1 0 349.906 2.828 40 0 EFABRO O=C1[C@@H]([NH2+]Cc2cc[nH]c2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000086254157 472277589 /nfs/dbraw/zinc/27/75/89/472277589.db2.gz JTEQMXPDVRFUDA-AWEZNQCLSA-N 1 0 339.317 2.808 40 0 EFABRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000029712410 472290798 /nfs/dbraw/zinc/29/07/98/472290798.db2.gz DDQNLAGDQHTBGX-INIZCTEOSA-N 1 0 346.452 2.505 40 0 EFABRO CCn1nc(C)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076388907 472337163 /nfs/dbraw/zinc/33/71/63/472337163.db2.gz GLBNDSQBTKFOAO-KRWDZBQOSA-N 1 0 340.471 2.948 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000076472127 472352648 /nfs/dbraw/zinc/35/26/48/472352648.db2.gz WEMFGYJMXZCRSH-ICSRJNTNSA-N 1 0 343.515 2.666 40 0 EFABRO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC000032267877 472420062 /nfs/dbraw/zinc/42/00/62/472420062.db2.gz BZXNDSRPLPWUHM-INIZCTEOSA-N 1 0 341.455 2.630 40 0 EFABRO COC1(C[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)CCOCC1 ZINC000097095363 472443214 /nfs/dbraw/zinc/44/32/14/472443214.db2.gz OUJPJRPDTADOFI-HKUYNNGSSA-N 1 0 332.488 2.682 40 0 EFABRO COc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000097101356 472446855 /nfs/dbraw/zinc/44/68/55/472446855.db2.gz MSZAMOBBKBSQQA-HNNXBMFYSA-N 1 0 332.448 2.738 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(F)c1 ZINC000032729478 472460080 /nfs/dbraw/zinc/46/00/80/472460080.db2.gz KETHDPXFSGAIKF-WMZOPIPTSA-N 1 0 328.387 2.548 40 0 EFABRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCN1CCCCCC1=O ZINC000032740413 472463383 /nfs/dbraw/zinc/46/33/83/472463383.db2.gz CJQRZZBDXCSNLL-MRXNPFEDSA-N 1 0 331.460 2.786 40 0 EFABRO COc1cc2c(cc1CN(CCC[NH+](C)C)Cc1ccco1)OCO2 ZINC000057810874 472478333 /nfs/dbraw/zinc/47/83/33/472478333.db2.gz RQGSWMFBWWBFBO-UHFFFAOYSA-N 1 0 346.427 2.971 40 0 EFABRO COc1ccc2cc(CN(C)C[C@@H]3CC[N@H+](C)C3)c(OC)nc2c1 ZINC000057811503 472478600 /nfs/dbraw/zinc/47/86/00/472478600.db2.gz HUKWIGPYICQGLU-CQSZACIVSA-N 1 0 329.444 2.636 40 0 EFABRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230721 472483589 /nfs/dbraw/zinc/48/35/89/472483589.db2.gz VACSYAVKZMDUEF-HUUCEWRRSA-N 1 0 342.480 2.516 40 0 EFABRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC000097230599 472484381 /nfs/dbraw/zinc/48/43/81/472484381.db2.gz BQTFEDAGKZWASD-DEYYWGMASA-N 1 0 335.411 2.878 40 0 EFABRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234347 472485139 /nfs/dbraw/zinc/48/51/39/472485139.db2.gz BQKIJFBCRAWMNP-RDJZCZTQSA-N 1 0 331.464 2.663 40 0 EFABRO Cc1cc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000097237534 472486496 /nfs/dbraw/zinc/48/64/96/472486496.db2.gz WGOWRHXZCKFLCB-HNNXBMFYSA-N 1 0 336.863 2.940 40 0 EFABRO COC(=O)C1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000077247144 472487346 /nfs/dbraw/zinc/48/73/46/472487346.db2.gz OVVLNJRMTQDUQG-UHFFFAOYSA-N 1 0 349.818 2.818 40 0 EFABRO O=C(Oc1ccccc1)N1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000077276323 472491195 /nfs/dbraw/zinc/49/11/95/472491195.db2.gz USPJDUCNZYZPOV-UHFFFAOYSA-N 1 0 331.460 2.679 40 0 EFABRO CC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(S(N)(=O)=O)c1 ZINC000097370629 472492638 /nfs/dbraw/zinc/49/26/38/472492638.db2.gz SCACEMKGEVHPMD-GOSISDBHSA-N 1 0 346.452 2.605 40 0 EFABRO COC(=O)c1coc(C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)c1 ZINC000097376435 472492862 /nfs/dbraw/zinc/49/28/62/472492862.db2.gz JUEWTWYIQHWLRQ-HNNXBMFYSA-N 1 0 334.416 2.547 40 0 EFABRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000070173345 472494463 /nfs/dbraw/zinc/49/44/63/472494463.db2.gz LOCIOUDBRIVSEK-ZJUUUORDSA-N 1 0 329.213 2.788 40 0 EFABRO Cc1csc(N2CCC[N@@H+](Cc3cnccc3N(C)C)CC2)n1 ZINC000097377058 472494534 /nfs/dbraw/zinc/49/45/34/472494534.db2.gz JQYZZVYWVMHYCH-UHFFFAOYSA-N 1 0 331.489 2.625 40 0 EFABRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2n[nH]nc2c1 ZINC000058154218 472507606 /nfs/dbraw/zinc/50/76/06/472507606.db2.gz YHAKEOHJKIFDMR-KRWDZBQOSA-N 1 0 349.438 2.742 40 0 EFABRO [NH2+]=C(NCCCNc1ccc(C(F)(F)F)cn1)NC1CCCC1 ZINC000058162946 472512164 /nfs/dbraw/zinc/51/21/64/472512164.db2.gz OOTHLBFWKNBDKQ-UHFFFAOYSA-N 1 0 329.370 2.959 40 0 EFABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]C[C@H](c1ccccn1)O2 ZINC000098186056 472524219 /nfs/dbraw/zinc/52/42/19/472524219.db2.gz IZMQEYHBCVPOJA-OAHLLOKOSA-N 1 0 333.432 2.512 40 0 EFABRO C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928477 472524657 /nfs/dbraw/zinc/52/46/57/472524657.db2.gz JHDWWVPVWHMAPS-INIZCTEOSA-N 1 0 339.439 2.882 40 0 EFABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000101039124 472530047 /nfs/dbraw/zinc/53/00/47/472530047.db2.gz HLKRLEGOUNMEFF-LSDHHAIUSA-N 1 0 339.867 2.939 40 0 EFABRO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000129779664 472564695 /nfs/dbraw/zinc/56/46/95/472564695.db2.gz YPKBINRBYAPMQJ-UHFFFAOYSA-N 1 0 344.846 2.833 40 0 EFABRO C[C@@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1cnccn1 ZINC000090468765 472624530 /nfs/dbraw/zinc/62/45/30/472624530.db2.gz GQKFXJNHHNUBBI-OAHLLOKOSA-N 1 0 345.878 2.603 40 0 EFABRO CC(C)NC(=O)Nc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000059403174 472627072 /nfs/dbraw/zinc/62/70/72/472627072.db2.gz IIHXSBDTOUHIRQ-UHFFFAOYSA-N 1 0 346.475 2.822 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCC[NH2+]2)CC1 ZINC000072216445 472634587 /nfs/dbraw/zinc/63/45/87/472634587.db2.gz SGYAYKXEKWFVFV-OAHLLOKOSA-N 1 0 332.448 2.563 40 0 EFABRO CC[C@H]([NH3+])c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C ZINC000072224706 472635128 /nfs/dbraw/zinc/63/51/28/472635128.db2.gz NSESTFBJLVDLOI-HNNXBMFYSA-N 1 0 334.464 2.857 40 0 EFABRO CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216371 472635175 /nfs/dbraw/zinc/63/51/75/472635175.db2.gz CITOPIJCOKCLLB-INIZCTEOSA-N 1 0 346.475 2.953 40 0 EFABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Cc1ccccc1Cl ZINC000090700076 472653463 /nfs/dbraw/zinc/65/34/63/472653463.db2.gz NOSAJZSBVNTMRT-CQSZACIVSA-N 1 0 326.893 2.778 40 0 EFABRO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2ccsc2S1 ZINC000090799419 472658156 /nfs/dbraw/zinc/65/81/56/472658156.db2.gz QPDXMSKYRPUMOM-LOWVWBTDSA-N 1 0 346.543 2.687 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1CCc1ccc(F)cc1 ZINC000072388678 472663143 /nfs/dbraw/zinc/66/31/43/472663143.db2.gz UROAPFVEOLDLEV-MRXNPFEDSA-N 1 0 330.407 2.630 40 0 EFABRO C[C@@](O)(C[NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000090909260 472664554 /nfs/dbraw/zinc/66/45/54/472664554.db2.gz OQVVAQYLBFITCR-LJQANCHMSA-N 1 0 329.419 2.687 40 0 EFABRO CC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000090916615 472664718 /nfs/dbraw/zinc/66/47/18/472664718.db2.gz IIEFULJFXVXEPX-QZTJIDSGSA-N 1 0 335.879 2.686 40 0 EFABRO CCc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)ncn1 ZINC000078294225 472689183 /nfs/dbraw/zinc/68/91/83/472689183.db2.gz RHVOQZVYLIOWMK-UHFFFAOYSA-N 1 0 326.444 2.676 40 0 EFABRO Fc1cc2ncnc(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)c2cc1F ZINC000078303393 472691601 /nfs/dbraw/zinc/69/16/01/472691601.db2.gz ZEEMXXMUYPRTBB-XTQGRXLLSA-N 1 0 330.382 2.829 40 0 EFABRO OC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Cl)c(F)c1 ZINC000156429386 472706936 /nfs/dbraw/zinc/70/69/36/472706936.db2.gz MTUFOYOQDTYILA-HNNXBMFYSA-N 1 0 329.799 2.788 40 0 EFABRO Cc1ccn(-c2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)n1 ZINC000156758139 472749077 /nfs/dbraw/zinc/74/90/77/472749077.db2.gz HQMPODCETXFSGF-UHFFFAOYSA-N 1 0 327.428 2.956 40 0 EFABRO O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]cnc2c1 ZINC000091261096 472750829 /nfs/dbraw/zinc/75/08/29/472750829.db2.gz MDPNNURJKFWGIY-UHFFFAOYSA-N 1 0 349.438 2.994 40 0 EFABRO COc1ccc(CNC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000105723465 472770891 /nfs/dbraw/zinc/77/08/91/472770891.db2.gz YANUBGBGZZCCFQ-LSDHHAIUSA-N 1 0 335.517 2.922 40 0 EFABRO C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000079041082 472810086 /nfs/dbraw/zinc/81/00/86/472810086.db2.gz JZKSVNRXORBCPQ-HUUCEWRRSA-N 1 0 333.432 2.595 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000133707714 472833075 /nfs/dbraw/zinc/83/30/75/472833075.db2.gz PYAOTRVATXGGQH-JOCCRWCTSA-N 1 0 338.398 2.832 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743057 472866154 /nfs/dbraw/zinc/86/61/54/472866154.db2.gz DDHBTZLDQXTPIE-ZDUSSCGKSA-N 1 0 344.242 2.532 40 0 EFABRO C[NH+]1CCC(CCNC(=O)c2ccccc2Br)CC1 ZINC000134045397 472869410 /nfs/dbraw/zinc/86/94/10/472869410.db2.gz MFCNKFKWCNJIOJ-UHFFFAOYSA-N 1 0 325.250 2.911 40 0 EFABRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 ZINC000107203587 472934016 /nfs/dbraw/zinc/93/40/16/472934016.db2.gz SPCQSYFAZDFJLA-IKGGRYGDSA-N 1 0 345.516 2.713 40 0 EFABRO COc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)cc1 ZINC000049170147 472934036 /nfs/dbraw/zinc/93/40/36/472934036.db2.gz IAYSPIKBXOMTIA-AWEZNQCLSA-N 1 0 329.400 2.714 40 0 biogenic,in-vitro EFABRO Cc1nc(CN2CC[N@H+](C[C@H]3CCOC3)Cc3cccnc32)cs1 ZINC000107214917 472934078 /nfs/dbraw/zinc/93/40/78/472934078.db2.gz QELUBOHZKLFBBU-OAHLLOKOSA-N 1 0 344.484 2.705 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107226750 472934790 /nfs/dbraw/zinc/93/47/90/472934790.db2.gz WDNLJTAXRWXEAW-QAPCUYQASA-N 1 0 344.484 2.716 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccs2)C3)nc1 ZINC000107228700 472935264 /nfs/dbraw/zinc/93/52/64/472935264.db2.gz BIYGMVOIBRKRIP-PBHICJAKSA-N 1 0 348.447 2.913 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107226324 472935684 /nfs/dbraw/zinc/93/56/84/472935684.db2.gz PZKZPORFVLMSDI-RHSMWYFYSA-N 1 0 330.457 2.692 40 0 EFABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)nc1 ZINC000107712620 472977273 /nfs/dbraw/zinc/97/72/73/472977273.db2.gz PSWGALZZAPIARI-QUCCMNQESA-N 1 0 339.439 2.927 40 0 EFABRO O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]12)Nc1cccnc1 ZINC000107746013 472979461 /nfs/dbraw/zinc/97/94/61/472979461.db2.gz CEQDWPKAJZOLBT-BCDXTJNWSA-N 1 0 325.387 2.927 40 0 EFABRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000107731477 472979976 /nfs/dbraw/zinc/97/99/76/472979976.db2.gz CCTBFLIAOOSLLU-APWZRJJASA-N 1 0 342.443 2.638 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nc1 ZINC000107731198 472980467 /nfs/dbraw/zinc/98/04/67/472980467.db2.gz OBHLCDRQUBATGK-WBVHZDCISA-N 1 0 348.447 2.913 40 0 EFABRO Cc1cccnc1C[N@@H+]1CCC2(CC(NC(=O)c3ccncc3)C2)C1 ZINC000108530005 473035786 /nfs/dbraw/zinc/03/57/86/473035786.db2.gz OQHGQSCOTKMHSE-UHFFFAOYSA-N 1 0 336.439 2.570 40 0 EFABRO COCCN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3C)CC2)C1=O ZINC000108526369 473035845 /nfs/dbraw/zinc/03/58/45/473035845.db2.gz WZOJPPACCGVSIT-HXUWFJFHSA-N 1 0 348.462 2.985 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530122 473036190 /nfs/dbraw/zinc/03/61/90/473036190.db2.gz INIVVPBLGMPUPM-QUCCMNQESA-N 1 0 343.471 2.936 40 0 EFABRO O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000135455755 473075380 /nfs/dbraw/zinc/07/53/80/473075380.db2.gz KOKBAMHDXOFCSN-OAHLLOKOSA-N 1 0 329.375 2.791 40 0 EFABRO Cc1cccc(NC[C@@H]2CCN(c3ncc(Br)cn3)C2)[nH+]1 ZINC000109129304 473082131 /nfs/dbraw/zinc/08/21/31/473082131.db2.gz FSZRRTUASOVNQW-LBPRGKRZSA-N 1 0 348.248 2.881 40 0 EFABRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000135952095 473122270 /nfs/dbraw/zinc/12/22/70/473122270.db2.gz KPKNLMWZVVIHKP-UHFFFAOYSA-N 1 0 339.439 2.875 40 0 EFABRO COC(=O)CN1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000136317770 473151732 /nfs/dbraw/zinc/15/17/32/473151732.db2.gz TUTIMTCTUASVOG-OAHLLOKOSA-N 1 0 338.448 2.590 40 0 EFABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000136909235 473184157 /nfs/dbraw/zinc/18/41/57/473184157.db2.gz KZKDJFFFLUEKPQ-KXBFYZLASA-N 1 0 339.439 2.894 40 0 EFABRO Cc1ccc(NC(=O)/C=C/c2cccnc2)c(OCC[NH+](C)C)c1 ZINC000096414010 473393482 /nfs/dbraw/zinc/39/34/82/473393482.db2.gz QRBDXPZEYVXPGI-VQHVLOKHSA-N 1 0 325.412 2.982 40 0 EFABRO Cn1cc([C@H]2C[C@@H]2C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000096416794 473395939 /nfs/dbraw/zinc/39/59/39/473395939.db2.gz FBQPFBLCORLHIN-MOPGFXCFSA-N 1 0 338.455 2.653 40 0 EFABRO CC[C@]1(C)CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000190799965 473397836 /nfs/dbraw/zinc/39/78/36/473397836.db2.gz XIRMEAJBNBLRKH-LJQANCHMSA-N 1 0 346.475 2.509 40 0 EFABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2ccccc2n1 ZINC000096418690 473397893 /nfs/dbraw/zinc/39/78/93/473397893.db2.gz ZTVQWXRBBGMCLA-SFHVURJKSA-N 1 0 327.428 2.967 40 0 EFABRO C[C@H](C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1cccs1 ZINC000096425270 473403933 /nfs/dbraw/zinc/40/39/33/473403933.db2.gz VOKOABUEPWNFFA-NSHDSACASA-N 1 0 331.441 2.651 40 0 EFABRO COCC[N@@H+]1CC[C@H](NC(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000096426450 473405399 /nfs/dbraw/zinc/40/53/99/473405399.db2.gz IKBKHKOTODAANT-ZDUSSCGKSA-N 1 0 348.468 2.669 40 0 EFABRO CCN(C1CCN(c2cc(C)[nH+]c3ccccc32)CC1)S(C)(=O)=O ZINC000096429451 473408801 /nfs/dbraw/zinc/40/88/01/473408801.db2.gz QMYVVSNQNQPJEB-UHFFFAOYSA-N 1 0 347.484 2.794 40 0 EFABRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096430899 473409473 /nfs/dbraw/zinc/40/94/73/473409473.db2.gz OXPSKNNQQNLIFW-ZDUSSCGKSA-N 1 0 340.427 2.638 40 0 EFABRO CC[C@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCS1 ZINC000096433885 473412587 /nfs/dbraw/zinc/41/25/87/473412587.db2.gz BAPPTWIYRUDAPS-HNNXBMFYSA-N 1 0 348.516 2.798 40 0 EFABRO CC1CCC(O)(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000096435775 473415195 /nfs/dbraw/zinc/41/51/95/473415195.db2.gz ZWEJNJXQGZPDAF-UHFFFAOYSA-N 1 0 336.501 2.837 40 0 EFABRO C[C@H]1C[C@@H](NCc2ccccc2C[N@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437129 473416251 /nfs/dbraw/zinc/41/62/51/473416251.db2.gz DBXJAZGNDQBWLM-KBXCAEBGSA-N 1 0 328.412 2.705 40 0 EFABRO Cc1cnc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000096440067 473418728 /nfs/dbraw/zinc/41/87/28/473418728.db2.gz RRMWKBGDEOUPBP-ZDUSSCGKSA-N 1 0 332.473 2.771 40 0 EFABRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOC1 ZINC000096440556 473418841 /nfs/dbraw/zinc/41/88/41/473418841.db2.gz ZWFPFPABFVXBPP-RTBURBONSA-N 1 0 345.487 2.719 40 0 EFABRO CSc1ccc(OCC[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000096441422 473419877 /nfs/dbraw/zinc/41/98/77/473419877.db2.gz POKGDIBRLBVYFO-HNNXBMFYSA-N 1 0 334.485 2.874 40 0 EFABRO Cc1csc(C(C)(C)[NH2+]CCn2cc(Br)cn2)n1 ZINC000096443390 473421636 /nfs/dbraw/zinc/42/16/36/473421636.db2.gz GMOIJWYBKOLOEX-UHFFFAOYSA-N 1 0 329.267 2.935 40 0 EFABRO Cc1nn(C)cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000096443923 473421846 /nfs/dbraw/zinc/42/18/46/473421846.db2.gz RXDAMEUXQNVSLB-AWEZNQCLSA-N 1 0 342.443 2.701 40 0 EFABRO O=C(c1cnc2ccccc2n1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450198 473427708 /nfs/dbraw/zinc/42/77/08/473427708.db2.gz RBZJWUYTACLKKT-KHYOSLBOSA-N 1 0 336.439 2.576 40 0 EFABRO CN(C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000096452098 473428559 /nfs/dbraw/zinc/42/85/59/473428559.db2.gz IGIHMBMIGJSZIN-INIZCTEOSA-N 1 0 339.443 2.515 40 0 EFABRO Cc1cc2cc(C[NH2+]C3CCN(S(C)(=O)=O)CC3)oc2cc1C ZINC000096453971 473429383 /nfs/dbraw/zinc/42/93/83/473429383.db2.gz UJJNVQOUASRUJY-UHFFFAOYSA-N 1 0 336.457 2.563 40 0 EFABRO C[C@H](CN(C)C1CC[NH+](C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466200 473434575 /nfs/dbraw/zinc/43/45/75/473434575.db2.gz ZOFNTYGVYUKALI-UPTPFMHGSA-N 1 0 344.565 2.642 40 0 EFABRO CC(C)CO[C@H](C)c1noc(CN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000096473708 473437381 /nfs/dbraw/zinc/43/73/81/473437381.db2.gz XVAZSEZAKHKBBB-OAHLLOKOSA-N 1 0 345.447 2.520 40 0 EFABRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000096473622 473437540 /nfs/dbraw/zinc/43/75/40/473437540.db2.gz DPGVMIAPVMTGTQ-WBAXXEDZSA-N 1 0 332.444 2.533 40 0 EFABRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476507 473439712 /nfs/dbraw/zinc/43/97/12/473439712.db2.gz PMHZTJWRBTWSNF-WFASDCNBSA-N 1 0 349.427 2.884 40 0 EFABRO C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000096481292 473440721 /nfs/dbraw/zinc/44/07/21/473440721.db2.gz CQPUWCKSAKXXDN-JVPBZIDWSA-N 1 0 342.414 2.684 40 0 EFABRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C)c(C)c1 ZINC000096478743 473440757 /nfs/dbraw/zinc/44/07/57/473440757.db2.gz NZWFRDKMRWNLOL-OAHLLOKOSA-N 1 0 333.476 2.772 40 0 EFABRO Cc1ccc(CNCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000096483932 473442545 /nfs/dbraw/zinc/44/25/45/473442545.db2.gz VNUBUAOOCMYFGU-UHFFFAOYSA-N 1 0 341.293 2.958 40 0 EFABRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000096485572 473444307 /nfs/dbraw/zinc/44/43/07/473444307.db2.gz SYAVMTSBIDGSMN-SKDRFNHKSA-N 1 0 329.213 2.722 40 0 EFABRO CC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000096486591 473444404 /nfs/dbraw/zinc/44/44/04/473444404.db2.gz HOKCWPGYZLFBIT-OLZOCXBDSA-N 1 0 332.473 2.568 40 0 EFABRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485942 473444492 /nfs/dbraw/zinc/44/44/92/473444492.db2.gz WQHOGAYPOLSXLI-RCBQFDQVSA-N 1 0 340.826 2.767 40 0 EFABRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2nc(C)no2)CC1 ZINC000096491341 473447822 /nfs/dbraw/zinc/44/78/22/473447822.db2.gz KXOQNGWKWWUVEJ-ZDUSSCGKSA-N 1 0 347.438 2.510 40 0 EFABRO C[C@H](C[NH2+]C1(CO)CCOCC1)c1cccc(Br)c1 ZINC000096493571 473448817 /nfs/dbraw/zinc/44/88/17/473448817.db2.gz REMSAHGHCRAHEK-GFCCVEGCSA-N 1 0 328.250 2.684 40 0 EFABRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000096494389 473450334 /nfs/dbraw/zinc/45/03/34/473450334.db2.gz ZMUNPWGFZVOMBD-LJQANCHMSA-N 1 0 348.450 2.886 40 0 EFABRO CC[C@H](C)Oc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000096494937 473450487 /nfs/dbraw/zinc/45/04/87/473450487.db2.gz WGQRNJPOFDYDKK-HNNXBMFYSA-N 1 0 340.427 2.616 40 0 EFABRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000096495626 473450731 /nfs/dbraw/zinc/45/07/31/473450731.db2.gz WMLKZBPYNRHQGQ-HWWQOWPSSA-N 1 0 340.826 2.677 40 0 EFABRO Cc1ccc2ncc(C[NH2+]Cc3ccc(N4CCOC4=O)cc3)n2c1 ZINC000096501568 473454518 /nfs/dbraw/zinc/45/45/18/473454518.db2.gz YPMFBYCWXDEYFZ-UHFFFAOYSA-N 1 0 336.395 2.889 40 0 EFABRO CSc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000191052452 473466310 /nfs/dbraw/zinc/46/63/10/473466310.db2.gz XVASMMKSIUZZBM-KRWDZBQOSA-N 1 0 334.485 2.668 40 0 EFABRO c1ccc(C2CC([NH2+]C[C@]3(N4CCOCC4)CCSC3)C2)cc1 ZINC000127224806 473590130 /nfs/dbraw/zinc/59/01/30/473590130.db2.gz PODBQFQOWPEQMG-CTWPCTMYSA-N 1 0 332.513 2.730 40 0 EFABRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000170713853 473593215 /nfs/dbraw/zinc/59/32/15/473593215.db2.gz PGSGMYJCPNKAHM-ZDUSSCGKSA-N 1 0 325.815 2.588 40 0 EFABRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccco1 ZINC000192024485 473609688 /nfs/dbraw/zinc/60/96/88/473609688.db2.gz DILZWZQQUDITCT-WBVHZDCISA-N 1 0 334.803 2.669 40 0 EFABRO COC1(C[NH2+][C@@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000153404470 473622629 /nfs/dbraw/zinc/62/26/29/473622629.db2.gz AVUMANKLFQXGOR-HUUCEWRRSA-N 1 0 342.439 2.753 40 0 EFABRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)C2=O)n(C)n1 ZINC000127989933 473670207 /nfs/dbraw/zinc/67/02/07/473670207.db2.gz MOCVSRPXGNEEGS-XQQFMLRXSA-N 1 0 344.381 2.545 40 0 EFABRO C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186496131 473681964 /nfs/dbraw/zinc/68/19/64/473681964.db2.gz SSOXHVQFKSTVGN-KXBFYZLASA-N 1 0 349.438 2.689 40 0 EFABRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccnn3C)CC2)cc1 ZINC000192809953 473728815 /nfs/dbraw/zinc/72/88/15/473728815.db2.gz BPBPORJWUOTUDK-HNNXBMFYSA-N 1 0 326.444 2.684 40 0 EFABRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000179976895 473767630 /nfs/dbraw/zinc/76/76/30/473767630.db2.gz DFULEHKBTAJYEK-IEBWSBKVSA-N 1 0 345.464 2.948 40 0 EFABRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)NC3CCCC3)ccc2NC1=O ZINC000180030307 473782000 /nfs/dbraw/zinc/78/20/00/473782000.db2.gz FFCRWNASXAYBTL-BLLLJJGKSA-N 1 0 345.443 2.506 40 0 EFABRO CC(=O)c1ccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000180434188 473877183 /nfs/dbraw/zinc/87/71/83/473877183.db2.gz OMWJUWFBPIJLDC-GASCZTMLSA-N 1 0 331.460 2.610 40 0 EFABRO Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000188173836 474008146 /nfs/dbraw/zinc/00/81/46/474008146.db2.gz BOIQWBIZGYDEAI-IBGZPJMESA-N 1 0 344.480 2.766 40 0 EFABRO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195267081 474043780 /nfs/dbraw/zinc/04/37/80/474043780.db2.gz NQVBJXQZCMJSHG-SFHVURJKSA-N 1 0 345.512 2.898 40 0 EFABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000195304067 474053666 /nfs/dbraw/zinc/05/36/66/474053666.db2.gz HCRJKXOEZLJWKE-UHFFFAOYSA-N 1 0 336.819 2.940 40 0 EFABRO Cc1c[nH+]ccc1N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000195342037 474061906 /nfs/dbraw/zinc/06/19/06/474061906.db2.gz YXCZELIVKHBGHP-AWEZNQCLSA-N 1 0 338.411 2.590 40 0 EFABRO C[Si](C)(C)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000195529954 474088575 /nfs/dbraw/zinc/08/85/75/474088575.db2.gz XJSHTJVMNDZHAM-UHFFFAOYSA-N 1 0 339.943 2.774 40 0 EFABRO Cc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)c(SC(F)(F)F)c1 ZINC000195543369 474091094 /nfs/dbraw/zinc/09/10/94/474091094.db2.gz YAMQGMSEWSYAHP-JTQLQIEISA-N 1 0 334.363 2.924 40 0 EFABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000195543398 474091679 /nfs/dbraw/zinc/09/16/79/474091679.db2.gz YEOLRONMJRGIAS-UONOGXRCSA-N 1 0 328.815 2.752 40 0 EFABRO O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000195543277 474091858 /nfs/dbraw/zinc/09/18/58/474091858.db2.gz YFVNANHNQKHKQS-IRXDYDNUSA-N 1 0 348.805 2.673 40 0 EFABRO Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000195542967 474092076 /nfs/dbraw/zinc/09/20/76/474092076.db2.gz WHRDEXFPRXLPDY-YVEFUNNKSA-N 1 0 330.407 2.519 40 0 EFABRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000195542966 474092084 /nfs/dbraw/zinc/09/20/84/474092084.db2.gz WHRDEXFPRXLPDY-SJKOYZFVSA-N 1 0 330.407 2.519 40 0 EFABRO C[C@@H](Cc1ccc2ccccc2c1)NC(=O)COC[C@@H]1CCC[NH2+]C1 ZINC000195549507 474092857 /nfs/dbraw/zinc/09/28/57/474092857.db2.gz XKWAXFBYTKSACH-FUHWJXTLSA-N 1 0 340.467 2.903 40 0 EFABRO O=C(Cc1ccccc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000195549170 474093263 /nfs/dbraw/zinc/09/32/63/474093263.db2.gz RLVFYDGGDXYAHA-UHFFFAOYSA-N 1 0 346.228 2.671 40 0 EFABRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073913 474094221 /nfs/dbraw/zinc/09/42/21/474094221.db2.gz XKTKINUAEFXICG-MEBBXXQBSA-N 1 0 340.217 2.997 40 0 EFABRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000195554506 474094494 /nfs/dbraw/zinc/09/44/94/474094494.db2.gz JSPOWVULJIRHAV-IRXDYDNUSA-N 1 0 331.460 2.629 40 0 EFABRO CSc1ccccc1C[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000195558715 474095939 /nfs/dbraw/zinc/09/59/39/474095939.db2.gz QBMSJLTWGJNNFV-ZDUSSCGKSA-N 1 0 327.515 2.754 40 0 EFABRO COC1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000195560467 474096453 /nfs/dbraw/zinc/09/64/53/474096453.db2.gz XFJHLAAPJDUAEE-IUDNXUCKSA-N 1 0 340.489 2.545 40 0 EFABRO CN(C)[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086591 474096917 /nfs/dbraw/zinc/09/69/17/474096917.db2.gz KHDXRSRINFFEAL-IRXDYDNUSA-N 1 0 332.423 2.665 40 0 EFABRO CCN1CC[NH+](C[C@H](C)CNc2cncc(Br)c2)CC1 ZINC000195575057 474098752 /nfs/dbraw/zinc/09/87/52/474098752.db2.gz QGIGPZCZRHLEPW-CYBMUJFWSA-N 1 0 341.297 2.530 40 0 EFABRO CCC[N@@H+]1CCC[C@H]1c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000195569958 474099240 /nfs/dbraw/zinc/09/92/40/474099240.db2.gz AGNBXKGMVCNJNB-AWEZNQCLSA-N 1 0 326.404 2.943 40 0 EFABRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000182130638 474105309 /nfs/dbraw/zinc/10/53/09/474105309.db2.gz BDJKYHUVEAFNKG-KRWDZBQOSA-N 1 0 328.387 2.971 40 0 EFABRO CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222728161 474172213 /nfs/dbraw/zinc/17/22/13/474172213.db2.gz FFZLJAYGOGLDAP-IAGOWNOFSA-N 1 0 335.436 2.870 40 0 EFABRO Fc1cccc(CN2Cc3ccnn3C[C@H](C[NH+]3CCCC3)C2)c1 ZINC000247556930 474181227 /nfs/dbraw/zinc/18/12/27/474181227.db2.gz XOHHNFSJNODSSH-QGZVFWFLSA-N 1 0 328.435 2.750 40 0 EFABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)[nH]1 ZINC000223255336 474182446 /nfs/dbraw/zinc/18/24/46/474182446.db2.gz AHCFLZCPLSPMNI-IAGOWNOFSA-N 1 0 343.500 2.561 40 0 EFABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCCC1 ZINC000224302293 474196445 /nfs/dbraw/zinc/19/64/45/474196445.db2.gz JYEXXVNUJCXBHX-MRXNPFEDSA-N 1 0 330.472 2.935 40 0 EFABRO CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000224680148 474199741 /nfs/dbraw/zinc/19/97/41/474199741.db2.gz AXFSFHONHUWIDA-LJQANCHMSA-N 1 0 348.443 2.719 40 0 EFABRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@H]2CCCOC2)cc1 ZINC000225423144 474212226 /nfs/dbraw/zinc/21/22/26/474212226.db2.gz HPQBTNJYRQYEOM-VQIMIIECSA-N 1 0 346.471 2.765 40 0 EFABRO C[NH2+]CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000225470712 474215178 /nfs/dbraw/zinc/21/51/78/474215178.db2.gz XRIAADMLRSIDNF-UHFFFAOYSA-N 1 0 340.246 2.654 40 0 EFABRO COc1ccc(C2(CNC(=O)[C@H]3CC[NH2+]C3)CCCCC2)cc1OC ZINC000225472840 474215685 /nfs/dbraw/zinc/21/56/85/474215685.db2.gz SGHBRUDKLJGETI-HNNXBMFYSA-N 1 0 346.471 2.631 40 0 EFABRO C[NH+]1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225473720 474216777 /nfs/dbraw/zinc/21/67/77/474216777.db2.gz IILBNLIXCGJKSS-UHFFFAOYSA-N 1 0 343.496 2.615 40 0 biogenic,in-vitro EFABRO CSc1cncc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000225513887 474219133 /nfs/dbraw/zinc/21/91/33/474219133.db2.gz OLYCYCLPMSHDAJ-MRXNPFEDSA-N 1 0 344.484 2.767 40 0 EFABRO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCc2nc[nH]c2C1 ZINC000225511436 474219909 /nfs/dbraw/zinc/21/99/09/474219909.db2.gz YTQLHRDYOXHOQO-SNVBAGLBSA-N 1 0 339.317 2.730 40 0 EFABRO Cc1cccc(CO[C@H]2CCOC3(C[NH+](CC4CCOCC4)C3)C2)n1 ZINC000247877197 474219981 /nfs/dbraw/zinc/21/99/81/474219981.db2.gz PELFSHZXVFJRFF-IBGZPJMESA-N 1 0 346.471 2.567 40 0 EFABRO Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000225522601 474221291 /nfs/dbraw/zinc/22/12/91/474221291.db2.gz LRGGKSLNPZNJMS-MRXNPFEDSA-N 1 0 336.439 2.903 40 0 EFABRO C[C@@H](c1nnnn1C)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000225545296 474223631 /nfs/dbraw/zinc/22/36/31/474223631.db2.gz VDPPDYBHXJGMBK-INIZCTEOSA-N 1 0 342.491 2.505 40 0 EFABRO O=C(NCc1ccc(F)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225566271 474225285 /nfs/dbraw/zinc/22/52/85/474225285.db2.gz UXZDXXTZINMJFT-UHFFFAOYSA-N 1 0 349.450 2.516 40 0 EFABRO C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000225571315 474225360 /nfs/dbraw/zinc/22/53/60/474225360.db2.gz NQUJIBFSHIZXMR-QFBILLFUSA-N 1 0 345.487 2.585 40 0 EFABRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000225567822 474225553 /nfs/dbraw/zinc/22/55/53/474225553.db2.gz LILTYIQXFGVJFD-LBPRGKRZSA-N 1 0 341.249 2.923 40 0 EFABRO C[C@H](Oc1ccccc1)C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225568924 474225831 /nfs/dbraw/zinc/22/58/31/474225831.db2.gz KMGNRVPMBSRLBA-DOTOQJQBSA-N 1 0 348.512 2.788 40 0 EFABRO C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000225571288 474225928 /nfs/dbraw/zinc/22/59/28/474225928.db2.gz NQUJIBFSHIZXMR-LPHOPBHVSA-N 1 0 345.487 2.585 40 0 EFABRO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000182709849 474239322 /nfs/dbraw/zinc/23/93/22/474239322.db2.gz VNWIHGBLPIQMHJ-IAGOWNOFSA-N 1 0 346.452 2.929 40 0 EFABRO CCCOC(=O)c1cc(-n2cccc2)ccc1N1CC[NH+](C)CC1 ZINC000226277789 474239438 /nfs/dbraw/zinc/23/94/38/474239438.db2.gz OBGPLSZGUJMGFU-UHFFFAOYSA-N 1 0 327.428 2.796 40 0 EFABRO Cc1c(F)cccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228935846 474251280 /nfs/dbraw/zinc/25/12/80/474251280.db2.gz NUUVSJZVJFUWGU-UHFFFAOYSA-N 1 0 326.379 2.942 40 0 EFABRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000230464356 474260785 /nfs/dbraw/zinc/26/07/85/474260785.db2.gz JSPOWVULJIRHAV-DLBZAZTESA-N 1 0 331.460 2.629 40 0 EFABRO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccnc1 ZINC000248128814 474263736 /nfs/dbraw/zinc/26/37/36/474263736.db2.gz PSMGYCXHCXOEDX-RXABAKJHSA-N 1 0 327.472 2.797 40 0 EFABRO C[NH+](C)C[C@H]1Cn2nccc2CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000248137466 474265703 /nfs/dbraw/zinc/26/57/03/474265703.db2.gz SCHCZPQORHXEOR-CQSZACIVSA-N 1 0 336.842 2.869 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 ZINC000248277520 474286718 /nfs/dbraw/zinc/28/67/18/474286718.db2.gz ZEXKVAHCLPOABA-INIZCTEOSA-N 1 0 346.500 2.803 40 0 EFABRO O=C(NCCOCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000183053527 474314318 /nfs/dbraw/zinc/31/43/18/474314318.db2.gz HABPYFOTMNZTHC-UHFFFAOYSA-N 1 0 331.243 2.626 40 0 EFABRO COc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221897 474342561 /nfs/dbraw/zinc/34/25/61/474342561.db2.gz SVGWSHQWTWDSEB-QFBILLFUSA-N 1 0 340.471 2.970 40 0 EFABRO CCCn1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000183305488 474371597 /nfs/dbraw/zinc/37/15/97/474371597.db2.gz KXEQSBXDECBQND-OAHLLOKOSA-N 1 0 341.459 2.644 40 0 EFABRO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)on2)cn1 ZINC000249001108 474502897 /nfs/dbraw/zinc/50/28/97/474502897.db2.gz MZIYYOPIOIVPCF-RHSMWYFYSA-N 1 0 342.399 2.756 40 0 EFABRO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)C12CCC[NH+]1CCC2 ZINC000239672481 474546782 /nfs/dbraw/zinc/54/67/82/474546782.db2.gz BTGDUUTWBAITCA-UHFFFAOYSA-N 1 0 341.455 2.880 40 0 EFABRO C[NH2+]CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000241124332 474553663 /nfs/dbraw/zinc/55/36/63/474553663.db2.gz JHJWXMBQERJCCG-AWEZNQCLSA-N 1 0 325.412 2.678 40 0 EFABRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245266887 474572477 /nfs/dbraw/zinc/57/24/77/474572477.db2.gz KNUMYPWPQPYLBT-YCPHGPKFSA-N 1 0 329.444 2.625 40 0 EFABRO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245339197 474574225 /nfs/dbraw/zinc/57/42/25/474574225.db2.gz RDSUPURHQBAGSY-IWEFOYFVSA-N 1 0 327.403 2.863 40 0 EFABRO Cc1cccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000245339513 474574247 /nfs/dbraw/zinc/57/42/47/474574247.db2.gz UDFMVZKKXAOYAG-YESZJQIVSA-N 1 0 331.460 2.527 40 0 EFABRO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245344177 474575021 /nfs/dbraw/zinc/57/50/21/474575021.db2.gz XXWCEVFUUALOIO-WDYCEAGBSA-N 1 0 338.455 2.794 40 0 EFABRO CC(C)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000250584058 474633592 /nfs/dbraw/zinc/63/35/92/474633592.db2.gz XUKODHOJSYWPDW-FUHWJXTLSA-N 1 0 344.455 2.679 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000251552300 474638285 /nfs/dbraw/zinc/63/82/85/474638285.db2.gz HQUAQNVUUFZYSE-FHWLQOOXSA-N 1 0 329.488 2.991 40 0 EFABRO CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252484698 474669743 /nfs/dbraw/zinc/66/97/43/474669743.db2.gz GEYZLWLMUAZWTP-QZTJIDSGSA-N 1 0 345.487 2.908 40 0 EFABRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000252486430 474673879 /nfs/dbraw/zinc/67/38/79/474673879.db2.gz JZVVMKUCLPCLNV-KDOFPFPSSA-N 1 0 338.455 2.814 40 0 EFABRO CC[C@@H](O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000252494941 474678535 /nfs/dbraw/zinc/67/85/35/474678535.db2.gz OIRAFPDYCAXCOH-QGZVFWFLSA-N 1 0 347.459 2.601 40 0 EFABRO COc1ccc(C(=O)N2CCC(Oc3ccncc3)CC2)cc1F ZINC000252508400 474685309 /nfs/dbraw/zinc/68/53/09/474685309.db2.gz XMUGYVJQXBADHD-UHFFFAOYSA-N 1 0 330.359 2.913 40 0 EFABRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000252510080 474686981 /nfs/dbraw/zinc/68/69/81/474686981.db2.gz ZBCULKXRINWBSK-QMMMGPOBSA-N 1 0 327.144 2.768 40 0 EFABRO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000252510079 474687480 /nfs/dbraw/zinc/68/74/80/474687480.db2.gz ZBCULKXRINWBSK-MRVPVSSYSA-N 1 0 327.144 2.768 40 0 EFABRO COC(=O)CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252511300 474689994 /nfs/dbraw/zinc/68/99/94/474689994.db2.gz ZXGVCFUBRPSVAM-NVXWUHKLSA-N 1 0 346.471 2.745 40 0 EFABRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000252585510 474699791 /nfs/dbraw/zinc/69/97/91/474699791.db2.gz JAPYHQWKIXNTCY-QEJZJMRPSA-N 1 0 334.464 2.550 40 0 EFABRO Cc1csc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)n1 ZINC000253370174 474727987 /nfs/dbraw/zinc/72/79/87/474727987.db2.gz NGXXIEKAGZTNRK-BZUAXINKSA-N 1 0 333.501 2.968 40 0 EFABRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000253369909 474728426 /nfs/dbraw/zinc/72/84/26/474728426.db2.gz JRPUQTPPRBRAKD-NSISKUIASA-N 1 0 337.467 2.885 40 0 EFABRO C[C@H]1C[C@H]([NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)C[C@@H](C)C1 ZINC000253369680 474728734 /nfs/dbraw/zinc/72/87/34/474728734.db2.gz GQSVWRGSUNKJQX-JLNYLFASSA-N 1 0 333.398 2.974 40 0 EFABRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000253370960 474730764 /nfs/dbraw/zinc/73/07/64/474730764.db2.gz YTRFPJBQKVLZHG-DUVNUKRYSA-N 1 0 334.464 2.645 40 0 EFABRO CCN1CC[C@@H]([NH2+]CC(OC)OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000253393102 474734229 /nfs/dbraw/zinc/73/42/29/474734229.db2.gz RJRIQPRBSIDRCB-ZBFHGGJFSA-N 1 0 330.831 2.823 40 0 EFABRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@@H](C)C1 ZINC000253404265 474739618 /nfs/dbraw/zinc/73/96/18/474739618.db2.gz IHMGFIHYGMMVKP-LRDDRELGSA-N 1 0 334.851 2.790 40 0 EFABRO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000253417109 474742628 /nfs/dbraw/zinc/74/26/28/474742628.db2.gz RFPFHASDVDPAOT-CQSZACIVSA-N 1 0 332.835 2.733 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000253419922 474746802 /nfs/dbraw/zinc/74/68/02/474746802.db2.gz DYGDUMWMNDGAAH-WMZOPIPTSA-N 1 0 346.471 2.545 40 0 EFABRO Cc1nc2c(cccc2C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000253421133 474749733 /nfs/dbraw/zinc/74/97/33/474749733.db2.gz QTYRRXGJVWCGSA-IRXDYDNUSA-N 1 0 335.407 2.964 40 0 EFABRO Cn1ccnc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1=O ZINC000253428715 474754778 /nfs/dbraw/zinc/75/47/78/474754778.db2.gz NVYVNQACCVSSOT-UHFFFAOYSA-N 1 0 346.862 2.758 40 0 EFABRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000253430962 474757045 /nfs/dbraw/zinc/75/70/45/474757045.db2.gz PHOUKRPYNWSEIM-INIZCTEOSA-N 1 0 343.471 2.948 40 0 EFABRO C[NH+](C)Cc1ccc(N2CCN(c3ncc(Cl)cc3F)CC2)nc1 ZINC000253432837 474758692 /nfs/dbraw/zinc/75/86/92/474758692.db2.gz OQAGASNZQJPVGN-UHFFFAOYSA-N 1 0 349.841 2.657 40 0 EFABRO c1cc2n(n1)C[C@H](OCC1CCCC1)C[N@@H+](CC1CCOCC1)C2 ZINC000253478346 474761449 /nfs/dbraw/zinc/76/14/49/474761449.db2.gz KMNYWFOVSMRGAP-LJQANCHMSA-N 1 0 333.476 2.701 40 0 EFABRO CN(C)c1nccc(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000340909693 474770384 /nfs/dbraw/zinc/77/03/84/474770384.db2.gz GVSGZVFUAKHEHM-UHFFFAOYSA-N 1 0 326.444 2.724 40 0 EFABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1CC1CC1 ZINC000306127708 474806732 /nfs/dbraw/zinc/80/67/32/474806732.db2.gz GFGOEDLLSCGTQG-IRXDYDNUSA-N 1 0 327.453 2.841 40 0 EFABRO CCC[NH+]1CCC(N2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135942 474810415 /nfs/dbraw/zinc/81/04/15/474810415.db2.gz PEZVVCFAXYMTME-QFBILLFUSA-N 1 0 342.487 2.709 40 0 EFABRO Cn1cc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132749 474810646 /nfs/dbraw/zinc/81/06/46/474810646.db2.gz LQZGHNKFJDDYIA-MSOLQXFVSA-N 1 0 333.439 2.588 40 0 EFABRO CC(C)CC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)CC[N@@H+]2C ZINC000306144942 474811333 /nfs/dbraw/zinc/81/13/33/474811333.db2.gz ZSWCTUTVYUTPJL-QGZVFWFLSA-N 1 0 345.487 2.567 40 0 EFABRO CC(C)CC(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CC[N@@H+]2C ZINC000306144941 474812053 /nfs/dbraw/zinc/81/20/53/474812053.db2.gz ZSWCTUTVYUTPJL-KRWDZBQOSA-N 1 0 345.487 2.567 40 0 EFABRO CCCCC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@@H+]2C ZINC000306139853 474812207 /nfs/dbraw/zinc/81/22/07/474812207.db2.gz UCKTUEZTZWINLS-SFHVURJKSA-N 1 0 345.487 2.711 40 0 EFABRO c1csc(C[N@@H+]2CCO[C@@]3(C2)CCCN(c2ncccn2)CC3)c1 ZINC000306137615 474812257 /nfs/dbraw/zinc/81/22/57/474812257.db2.gz RBJSEYRIPDGROO-SFHVURJKSA-N 1 0 344.484 2.800 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000257283062 474930013 /nfs/dbraw/zinc/93/00/13/474930013.db2.gz OWPXRSDDYDKQHT-SFHVURJKSA-N 1 0 338.455 2.835 40 0 EFABRO Cc1cncc(C2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)n1 ZINC000257293129 474937087 /nfs/dbraw/zinc/93/70/87/474937087.db2.gz QOGPWSXMFFYFSC-UHFFFAOYSA-N 1 0 338.455 2.866 40 0 EFABRO Cn1cncc1C[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257296112 474938752 /nfs/dbraw/zinc/93/87/52/474938752.db2.gz RBHZLJPWLTVQIA-UHFFFAOYSA-N 1 0 349.442 2.728 40 0 EFABRO Cc1csc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)c1 ZINC000257300314 474940059 /nfs/dbraw/zinc/94/00/59/474940059.db2.gz RTUUPTQBLOLNRO-CQSZACIVSA-N 1 0 331.441 2.508 40 0 EFABRO CC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2CCO ZINC000257305246 474942504 /nfs/dbraw/zinc/94/25/04/474942504.db2.gz SPBNYQFXCPTLPD-UFYCRDLUSA-N 1 0 330.472 2.976 40 0 EFABRO Cn1nccc1C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257302290 474943991 /nfs/dbraw/zinc/94/39/91/474943991.db2.gz SCIUYXPWRHWWBP-MRXNPFEDSA-N 1 0 325.412 2.857 40 0 EFABRO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257308580 474945333 /nfs/dbraw/zinc/94/53/33/474945333.db2.gz TXGWDAMUVIIPIR-INIZCTEOSA-N 1 0 325.412 2.854 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)cn1 ZINC000257307360 474945509 /nfs/dbraw/zinc/94/55/09/474945509.db2.gz SYHWSBORMHWGSY-OALUTQOASA-N 1 0 330.403 2.933 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)CCc2cccs2)n1 ZINC000257309974 474946838 /nfs/dbraw/zinc/94/68/38/474946838.db2.gz UDDHOIZIPOWNOR-MRXNPFEDSA-N 1 0 344.484 2.896 40 0 EFABRO CCc1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257313449 474947004 /nfs/dbraw/zinc/94/70/04/474947004.db2.gz USMPVABJEYRDOL-ZDUSSCGKSA-N 1 0 328.416 2.636 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257312395 474947847 /nfs/dbraw/zinc/94/78/47/474947847.db2.gz UNTCMOFXBZZEJK-IRXDYDNUSA-N 1 0 336.432 2.995 40 0 EFABRO Cn1cc(CN2CC[N@H+](C)C[C@@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316623 474948675 /nfs/dbraw/zinc/94/86/75/474948675.db2.gz VGJCDWDPXRSQDO-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257314727 474949129 /nfs/dbraw/zinc/94/91/29/474949129.db2.gz UYFGLSOKEMJFAV-INIZCTEOSA-N 1 0 334.427 2.745 40 0 EFABRO COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2nc(C)c[nH]2)C1 ZINC000257320318 474950805 /nfs/dbraw/zinc/95/08/05/474950805.db2.gz VWFWYYXIUXKWBR-HNNXBMFYSA-N 1 0 327.428 2.984 40 0 EFABRO CNc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)ccn1 ZINC000257320792 474951044 /nfs/dbraw/zinc/95/10/44/474951044.db2.gz VYRKENPMRBUBFL-CQSZACIVSA-N 1 0 325.368 2.829 40 0 EFABRO CN(CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C)Cc1ccc(F)cc1 ZINC000257318088 474951594 /nfs/dbraw/zinc/95/15/94/474951594.db2.gz VMLQQBPWLNPUGH-ICSRJNTNSA-N 1 0 347.478 2.733 40 0 EFABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000257322543 474952508 /nfs/dbraw/zinc/95/25/08/474952508.db2.gz WGKACZNLGVCUEH-IBGZPJMESA-N 1 0 330.472 2.626 40 0 EFABRO Nc1cc(CC[C@H]2CN(C(=O)CCc3cccs3)CCO2)cc[nH+]1 ZINC000257321409 474953447 /nfs/dbraw/zinc/95/34/47/474953447.db2.gz WBOIEWXBRNTPDX-HNNXBMFYSA-N 1 0 345.468 2.518 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000257322063 474954284 /nfs/dbraw/zinc/95/42/84/474954284.db2.gz WELNMNZURMJGPD-QGZVFWFLSA-N 1 0 342.418 2.584 40 0 EFABRO CC1CCC([NH+]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)CC2)CC1 ZINC000345167771 474956276 /nfs/dbraw/zinc/95/62/76/474956276.db2.gz DDXKWIVUHNTPAZ-UHFFFAOYSA-N 1 0 343.427 2.870 40 0 EFABRO Cc1nc([C@H]2CC[NH2+]C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257329269 474956828 /nfs/dbraw/zinc/95/68/28/474956828.db2.gz XJDLUOXTVQUJDK-HNNXBMFYSA-N 1 0 328.460 2.721 40 0 EFABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(C)s2)c1 ZINC000257330247 474957876 /nfs/dbraw/zinc/95/78/76/474957876.db2.gz XNOIADIHAFJVJW-KRWDZBQOSA-N 1 0 329.469 2.563 40 0 EFABRO CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257332991 474958612 /nfs/dbraw/zinc/95/86/12/474958612.db2.gz XZPIHLWPPSPGSN-LKCYJCQHSA-N 1 0 330.476 2.941 40 0 EFABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(C)n1 ZINC000257336972 474962272 /nfs/dbraw/zinc/96/22/72/474962272.db2.gz YQVYLDNDBOTYGT-IBGZPJMESA-N 1 0 341.459 2.580 40 0 EFABRO Cc1ncc(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000332826297 475754726 /nfs/dbraw/zinc/75/47/26/475754726.db2.gz KPBBQIVUOKHPGT-RDJZCZTQSA-N 1 0 348.397 2.950 40 0 EFABRO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289357 479020597 /nfs/dbraw/zinc/02/05/97/479020597.db2.gz IVAUOKOQYBBWSX-ZBFHGGJFSA-N 1 0 336.382 2.782 40 0 biogenic,in-vitro EFABRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 ZINC000514288733 479020806 /nfs/dbraw/zinc/02/08/06/479020806.db2.gz DIKCWRNZTMATGS-GOSISDBHSA-N 1 0 329.488 2.563 40 0 biogenic,in-vitro EFABRO C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1CC1CC1 ZINC000585097919 479281917 /nfs/dbraw/zinc/28/19/17/479281917.db2.gz PDKUXLMDPJFIRQ-LBPRGKRZSA-N 1 0 347.850 2.562 40 0 EFABRO CNC(=O)C[C@H]1Cn2cccc2CN(Cc2cccc3[nH]ccc32)C1 ZINC000585099092 479282498 /nfs/dbraw/zinc/28/24/98/479282498.db2.gz KUNVHXHYNQETFI-OAHLLOKOSA-N 1 0 336.439 2.738 40 0 EFABRO COCC(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100154 479282972 /nfs/dbraw/zinc/28/29/72/479282972.db2.gz GURKTMIHGPFFJX-IBGZPJMESA-N 1 0 334.435 2.819 40 0 EFABRO COCC[N@@H+]1CC[C@]12CCCN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000585101929 479283081 /nfs/dbraw/zinc/28/30/81/479283081.db2.gz LVHPJOIJFUNZHB-FQEVSTJZSA-N 1 0 342.483 2.740 40 0 EFABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000585102838 479284601 /nfs/dbraw/zinc/28/46/01/479284601.db2.gz KCLDXJYZAYXEFX-MRXNPFEDSA-N 1 0 333.428 2.823 40 0 EFABRO CC[N@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103088 479284858 /nfs/dbraw/zinc/28/48/58/479284858.db2.gz CPOUTDGAUIOLLG-SFHVURJKSA-N 1 0 330.472 2.958 40 0 EFABRO COC[C@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](C(C)C)CC2 ZINC000585102895 479285099 /nfs/dbraw/zinc/28/50/99/479285099.db2.gz HFMAIOMTYGVSFM-MRXNPFEDSA-N 1 0 336.501 2.957 40 0 EFABRO COC[C@@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](C(C)C)CC2 ZINC000585102894 479285143 /nfs/dbraw/zinc/28/51/43/479285143.db2.gz HFMAIOMTYGVSFM-INIZCTEOSA-N 1 0 336.501 2.957 40 0 EFABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104679 479286290 /nfs/dbraw/zinc/28/62/90/479286290.db2.gz QTPMQYVAUUPJEM-HXUWFJFHSA-N 1 0 330.472 2.763 40 0 EFABRO O=C(NCC[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21)c1ccsc1 ZINC000585111831 479288393 /nfs/dbraw/zinc/28/83/93/479288393.db2.gz CMVKRXNXMDWETB-MRXNPFEDSA-N 1 0 344.484 2.922 40 0 EFABRO C[NH+](C)CCCC(C)(C)NC(=O)c1csc(N2CCCCC2)n1 ZINC000585140497 479297157 /nfs/dbraw/zinc/29/71/57/479297157.db2.gz GAWWBNVWSUDIOT-UHFFFAOYSA-N 1 0 338.521 2.984 40 0 EFABRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1nncn1-c1ccccc1 ZINC000585140612 479297717 /nfs/dbraw/zinc/29/77/17/479297717.db2.gz HJXRHOYYTPFEHN-CQSZACIVSA-N 1 0 345.447 2.518 40 0 EFABRO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000585141386 479299509 /nfs/dbraw/zinc/29/95/09/479299509.db2.gz VEDSSXVVUDHLIL-GOEBONIOSA-N 1 0 326.444 2.724 40 0 EFABRO Clc1ccc2ncc(-c3cncc(C[C@@H]4CCC[NH2+]C4)n3)n2c1 ZINC000585263354 479303093 /nfs/dbraw/zinc/30/30/93/479303093.db2.gz WPRCIEPWDBTCQY-LBPRGKRZSA-N 1 0 327.819 2.987 40 0 EFABRO Clc1ccc2ncc(-c3cccc(C[C@H]4C[NH2+]CCOC4)n3)n2c1 ZINC000585262767 479303249 /nfs/dbraw/zinc/30/32/49/479303249.db2.gz DFHIMQPAUOCGCW-ZDUSSCGKSA-N 1 0 342.830 2.828 40 0 EFABRO Cc1nccc(C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccc(Cl)cc3)C2)n1 ZINC000585269252 479303870 /nfs/dbraw/zinc/30/38/70/479303870.db2.gz MWSVQIBVEJISTG-CRAIPNDOSA-N 1 0 331.847 2.864 40 0 EFABRO CO[C@@]1(COc2ccc(F)cc2)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585275693 479304675 /nfs/dbraw/zinc/30/46/75/479304675.db2.gz DKLDSCFNBSBLMT-SFHVURJKSA-N 1 0 331.391 2.594 40 0 EFABRO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C[C@H]1Cc1ccccc1 ZINC000585277861 479306716 /nfs/dbraw/zinc/30/67/16/479306716.db2.gz WUFHSHORUZHBJD-QZTJIDSGSA-N 1 0 339.439 2.600 40 0 EFABRO CO[C@]1(COc2ccccc2C)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585278366 479307440 /nfs/dbraw/zinc/30/74/40/479307440.db2.gz RMGUPCWCKXKSRF-LJQANCHMSA-N 1 0 327.428 2.763 40 0 EFABRO CNc1ncccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585279885 479308463 /nfs/dbraw/zinc/30/84/63/479308463.db2.gz SIUFCCUWFVRDIU-QAPCUYQASA-N 1 0 329.419 2.688 40 0 EFABRO O[C@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCCC2)C1 ZINC000585281711 479308593 /nfs/dbraw/zinc/30/85/93/479308593.db2.gz PXLYQPGBIIFAGK-KRWDZBQOSA-N 1 0 325.836 2.725 40 0 EFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCn3cccn3)[C@H]2O)c1 ZINC000585288794 479309424 /nfs/dbraw/zinc/30/94/24/479309424.db2.gz JIYFXBQYUIFEBD-IPMKNSEASA-N 1 0 329.444 2.532 40 0 EFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCc3ccccn3)[C@H]2O)c1 ZINC000585289006 479310017 /nfs/dbraw/zinc/31/00/17/479310017.db2.gz MEZNVWDWPHIJDH-XUVXKRRUSA-N 1 0 326.440 2.883 40 0 EFABRO CN1CCC[N@@H+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585290649 479310341 /nfs/dbraw/zinc/31/03/41/479310341.db2.gz ZLGDYUAEELERLT-RCCFBDPRSA-N 1 0 338.879 2.638 40 0 EFABRO OCCC1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585290476 479310566 /nfs/dbraw/zinc/31/05/66/479310566.db2.gz WTMPLUOOXIHFTQ-IPMKNSEASA-N 1 0 337.435 2.581 40 0 EFABRO Cc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)cc(-c2cccnc2)n1 ZINC000599710202 479403013 /nfs/dbraw/zinc/40/30/13/479403013.db2.gz AZCKGAMUXPGCIM-MRXNPFEDSA-N 1 0 325.460 3.379 40 0 EFABRO O=C(CCCc1ccccc1)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575608809 479451334 /nfs/dbraw/zinc/45/13/34/479451334.db2.gz VHVWCYBIYIZISU-LJQANCHMSA-N 1 0 330.472 2.626 40 0 EFABRO CC[C@H](C(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000575608369 479451739 /nfs/dbraw/zinc/45/17/39/479451739.db2.gz SKAXBQSIIJANQU-OALUTQOASA-N 1 0 330.472 2.797 40 0 EFABRO COCC[NH+]1CCC(NC(=O)c2ccc(F)c3ccccc23)CC1 ZINC000253428792 523816704 /nfs/dbraw/zinc/81/67/04/523816704.db2.gz FCBJCAQWDPHECX-UHFFFAOYSA-N 1 0 330.403 2.820 40 0 EFABRO CN(Cc1ccc(Cl)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257207259 536468109 /nfs/dbraw/zinc/46/81/09/536468109.db2.gz BHAJUEYNBKQCQG-YRXWBPOGSA-N 1 0 346.858 2.680 40 0 EFABRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000245316728 536474903 /nfs/dbraw/zinc/47/49/03/536474903.db2.gz KJZIICMAGKMOKZ-JFIYKMOQSA-N 1 0 343.471 2.678 40 0 EFABRO CC[NH2+]CC1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000129952196 528280394 /nfs/dbraw/zinc/28/03/94/528280394.db2.gz BHJVVKOUJQBQOT-UHFFFAOYSA-N 1 0 339.277 2.840 40 0 EFABRO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)n(C)n1 ZINC000257258114 535358566 /nfs/dbraw/zinc/35/85/66/535358566.db2.gz KSLCBXVNJURDCC-KUZCPNRJSA-N 1 0 330.476 2.631 40 0 EFABRO CCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n(C)n1 ZINC000257330838 535386998 /nfs/dbraw/zinc/38/69/98/535386998.db2.gz XQGAYXRYCOTNSR-RMRDIRSESA-N 1 0 330.476 2.508 40 0 EFABRO CN(CC[NH+](C)C)C(=O)Cn1cccc2cc(-c3ccccc3)nc1-2 ZINC000257229309 535847943 /nfs/dbraw/zinc/84/79/43/535847943.db2.gz FXOWWKITLVCPNA-UHFFFAOYSA-N 1 0 336.439 2.675 40 0 EFABRO C[N@H+](CCC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1ccccn1 ZINC000257259227 536303819 /nfs/dbraw/zinc/30/38/19/536303819.db2.gz KXKAKVIRGDLNGZ-OAHLLOKOSA-N 1 0 344.484 2.766 40 0 EFABRO COC(=O)c1ccc(Cl)c(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000225800062 536712435 /nfs/dbraw/zinc/71/24/35/536712435.db2.gz LBASYPAQDVJZJZ-UHFFFAOYSA-N 1 0 341.864 2.507 40 0 EFABRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)c1ccccc1 ZINC001772715307 1249316425 /nfs/dbraw/zinc/31/64/25/1249316425.db2.gz SZXNYMLUTIAJKC-HYVNUMGLSA-N 1 0 334.460 2.955 40 0 EFABRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000146230747 1296574591 /nfs/dbraw/zinc/57/45/91/1296574591.db2.gz FPLKLNINPXCYAO-FQEVSTJZSA-N 1 0 338.451 2.936 40 0 EFABRO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2C)ncn1 ZINC000109069850 724704483 /nfs/dbraw/zinc/70/44/83/724704483.db2.gz ILQULOVLUGSPGQ-MRXNPFEDSA-N 1 0 329.423 2.724 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000092866615 720994595 /nfs/dbraw/zinc/99/45/95/720994595.db2.gz HNSFOLBRBCWJLO-SFHVURJKSA-N 1 0 345.487 2.814 40 0 EFABRO Cc1cc2c(ncnc2N2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000179500855 722007930 /nfs/dbraw/zinc/00/79/30/722007930.db2.gz GQUYLPUXFUSKRQ-UHFFFAOYSA-N 1 0 339.468 2.759 40 0 EFABRO C[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000000017950 1093225292 /nfs/dbraw/zinc/22/52/92/1093225292.db2.gz QEMSVZNTSXPFJA-BEFAXECRSA-N 1 0 327.424 2.798 40 0 EFABRO C[NH+](C)CCNc1nc2c(-c3ccccc3)nnn2c2ccccc21 ZINC000067262230 1101509232 /nfs/dbraw/zinc/50/92/32/1101509232.db2.gz CJLKAIJMEBVTTO-UHFFFAOYSA-N 1 0 332.411 2.918 40 0 EFABRO CC(C)(Nc1ccccc1)C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000899925760 1109551334 /nfs/dbraw/zinc/55/13/34/1109551334.db2.gz HASZGCGNQCRWPB-SFHVURJKSA-N 1 0 345.487 2.637 40 0 EFABRO C[NH+](C)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000054362928 214234688 /nfs/dbraw/zinc/23/46/88/214234688.db2.gz XFHRYUIKIWEQHF-UHFFFAOYSA-N 1 0 345.679 2.877 40 0 EFABRO Cc1noc2nc(C)cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c12 ZINC000055193749 214285855 /nfs/dbraw/zinc/28/58/55/214285855.db2.gz RQNKNIYBKUSMNC-CYBMUJFWSA-N 1 0 330.432 2.834 40 0 EFABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 ZINC000257296049 282149740 /nfs/dbraw/zinc/14/97/40/282149740.db2.gz RAZREURXXDMFBR-GOSISDBHSA-N 1 0 345.487 2.892 40 0 EFABRO C[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1cccnc1 ZINC000174826614 231319877 /nfs/dbraw/zinc/31/98/77/231319877.db2.gz GBZFCWMFLYGHII-OAHLLOKOSA-N 1 0 327.428 2.901 40 0 EFABRO O=C(c1ncncc1Cl)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000178610704 232300496 /nfs/dbraw/zinc/30/04/96/232300496.db2.gz ZTAYFVXRXRHLNY-CYBMUJFWSA-N 1 0 328.803 2.755 40 0 EFABRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178993479 232670295 /nfs/dbraw/zinc/67/02/95/232670295.db2.gz SVUJICIXFKKLSI-INDMIFKZSA-N 1 0 334.504 2.774 40 0 EFABRO CC(C)COc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1 ZINC000102716146 219224545 /nfs/dbraw/zinc/22/45/45/219224545.db2.gz CETJYRWIYLJYFX-INIZCTEOSA-N 1 0 330.432 2.594 40 0 EFABRO Cc1ccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)cc1C ZINC000067698739 215189925 /nfs/dbraw/zinc/18/99/25/215189925.db2.gz ZEOMRKSRMVKZPU-MRXNPFEDSA-N 1 0 341.377 2.967 40 0 EFABRO O=C(NCc1ccco1)c1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000069249931 215372930 /nfs/dbraw/zinc/37/29/30/215372930.db2.gz CHGCJDRXWZQHCM-GOSISDBHSA-N 1 0 342.439 2.947 40 0 EFABRO CCc1cnc(N2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000104487741 219389830 /nfs/dbraw/zinc/38/98/30/219389830.db2.gz BLXFKVUHACMRMZ-UHFFFAOYSA-N 1 0 337.471 2.927 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180961519 234045156 /nfs/dbraw/zinc/04/51/56/234045156.db2.gz ZIOHWVFTUBGQDK-MGPUTAFESA-N 1 0 330.472 2.845 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180961497 234045200 /nfs/dbraw/zinc/04/52/00/234045200.db2.gz ZIOHWVFTUBGQDK-QRWLVFNGSA-N 1 0 330.472 2.845 40 0 EFABRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000040013510 213250143 /nfs/dbraw/zinc/25/01/43/213250143.db2.gz BDNZQEFXDKBMTH-ICSRJNTNSA-N 1 0 336.435 2.943 40 0 EFABRO COc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000038755134 213224600 /nfs/dbraw/zinc/22/46/00/213224600.db2.gz GVXVTZFODCHHGR-INIZCTEOSA-N 1 0 334.460 2.701 40 0 EFABRO COc1ccc(COC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000037530439 213154376 /nfs/dbraw/zinc/15/43/76/213154376.db2.gz PDGLJUZHLDWIOM-ZOBUZTSGSA-N 1 0 337.460 2.559 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(Br)c1 ZINC000036393523 213095921 /nfs/dbraw/zinc/09/59/21/213095921.db2.gz VQNFDHWHYYBVAM-CYBMUJFWSA-N 1 0 329.213 2.802 40 0 EFABRO Cc1cc(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)co1 ZINC000187735347 236287041 /nfs/dbraw/zinc/28/70/41/236287041.db2.gz NJDHKHVBPNRZAD-LJQANCHMSA-N 1 0 342.439 2.763 40 0 EFABRO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)c1 ZINC000035425119 213027744 /nfs/dbraw/zinc/02/77/44/213027744.db2.gz LLHBNUCBUGPOCM-HNNXBMFYSA-N 1 0 332.404 2.702 40 0 biogenic,in-vitro EFABRO Cc1cccc(OCc2nnc(SCC[NH+]3CCCC3)n2C)c1 ZINC000035311652 213019900 /nfs/dbraw/zinc/01/99/00/213019900.db2.gz VDPLJOZFRFKCAA-UHFFFAOYSA-N 1 0 332.473 2.890 40 0 EFABRO NC(=O)c1c2c(sc1NC(=O)C[NH2+]C1CCCCC1)CCCC2 ZINC000035316171 213020711 /nfs/dbraw/zinc/02/07/11/213020711.db2.gz XYGVCIRVHKMEHQ-UHFFFAOYSA-N 1 0 335.473 2.587 40 0 EFABRO Cc1c(C)n(C)c2ccc(C(=O)Nc3cnn(CC[NH+](C)C)c3)cc12 ZINC000072246672 216082113 /nfs/dbraw/zinc/08/21/13/216082113.db2.gz MJWXUTSFHXXISY-UHFFFAOYSA-N 1 0 339.443 2.806 40 0 EFABRO COCCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c2ccccc21 ZINC000072324734 216151575 /nfs/dbraw/zinc/15/15/75/216151575.db2.gz YZIWFRDXIBIWBJ-AEFFLSMTSA-N 1 0 327.472 2.956 40 0 EFABRO Oc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 ZINC000072327121 216152132 /nfs/dbraw/zinc/15/21/32/216152132.db2.gz FPKZGOKYPUTZJJ-UHFFFAOYSA-N 1 0 348.450 2.872 40 0 EFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000072324538 216151361 /nfs/dbraw/zinc/15/13/61/216151361.db2.gz HEMNDFAKYONICJ-KBPBESRZSA-N 1 0 330.457 2.889 40 0 EFABRO COc1ccccc1C(=O)N1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000072343221 216159208 /nfs/dbraw/zinc/15/92/08/216159208.db2.gz YOAMNXPBHVYGCM-UHFFFAOYSA-N 1 0 338.407 2.570 40 0 EFABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350557 216162486 /nfs/dbraw/zinc/16/24/86/216162486.db2.gz FUQDPRGPTWJRAU-QGZVFWFLSA-N 1 0 348.454 2.999 40 0 EFABRO Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350556 216162875 /nfs/dbraw/zinc/16/28/75/216162875.db2.gz ZPEZRUHLRNNDNZ-KRWDZBQOSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355433 216163466 /nfs/dbraw/zinc/16/34/66/216163466.db2.gz XHEFFTNOTGMBAR-QGZVFWFLSA-N 1 0 334.427 2.745 40 0 EFABRO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355436 216164619 /nfs/dbraw/zinc/16/46/19/216164619.db2.gz ODWUFHNZWHXGQD-KRWDZBQOSA-N 1 0 348.454 2.999 40 0 EFABRO CC(C)[NH+]1CCC(c2nccnc2Oc2ccc(C(N)=O)cc2)CC1 ZINC000072361656 216167787 /nfs/dbraw/zinc/16/77/87/216167787.db2.gz BVXJECUOINWMGJ-UHFFFAOYSA-N 1 0 340.427 2.956 40 0 EFABRO COCC[NH+]1CCC(c2nccnc2Nc2ncccc2C)CC1 ZINC000072367901 216175185 /nfs/dbraw/zinc/17/51/85/216175185.db2.gz QTIWWZOCLAXOCR-UHFFFAOYSA-N 1 0 327.432 2.749 40 0 EFABRO C[N@@H+]1CCC[C@@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1 ZINC000072369350 216175890 /nfs/dbraw/zinc/17/58/90/216175890.db2.gz URMYALMELUKNRL-INIZCTEOSA-N 1 0 330.476 2.767 40 0 EFABRO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000072379607 216180557 /nfs/dbraw/zinc/18/05/57/216180557.db2.gz YEBGHTZNFCOEFP-IBGZPJMESA-N 1 0 342.418 2.631 40 0 EFABRO CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072379014 216181884 /nfs/dbraw/zinc/18/18/84/216181884.db2.gz GAHLDZFNHROUOC-INIZCTEOSA-N 1 0 341.459 2.616 40 0 EFABRO Cc1nc(C(=O)NCc2ccc(F)cc2)cc(C2CC[NH+](C)CC2)n1 ZINC000072382886 216184486 /nfs/dbraw/zinc/18/44/86/216184486.db2.gz QDPDXOZOFGFNPG-UHFFFAOYSA-N 1 0 342.418 2.663 40 0 EFABRO c1cc(N2CCOCC2)nnc1C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072387265 216186899 /nfs/dbraw/zinc/18/68/99/216186899.db2.gz OIPQOFXEYOPCJS-INIZCTEOSA-N 1 0 330.476 2.510 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1 ZINC000072390926 216191282 /nfs/dbraw/zinc/19/12/82/216191282.db2.gz RKLVOYCZARZNHG-MRXNPFEDSA-N 1 0 342.487 2.751 40 0 EFABRO c1cncc(C[N@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)c1 ZINC000072387313 216186750 /nfs/dbraw/zinc/18/67/50/216186750.db2.gz MPHVPCQNYCTHMO-QGZVFWFLSA-N 1 0 337.471 2.927 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393076 216191494 /nfs/dbraw/zinc/19/14/94/216191494.db2.gz BEMSKFYODNEQOH-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc2ncccc2c1 ZINC000072392141 216191526 /nfs/dbraw/zinc/19/15/26/216191526.db2.gz AOQMSRWFMSTNDY-QGZVFWFLSA-N 1 0 335.411 2.534 40 0 EFABRO COCCN1CC[NH+](Cc2c3cccnc3[nH]c2C(C)(C)C)CC1 ZINC000072393633 216192323 /nfs/dbraw/zinc/19/23/23/216192323.db2.gz VPFOMPDLWIOUSU-UHFFFAOYSA-N 1 0 330.476 2.624 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000130076315 223118666 /nfs/dbraw/zinc/11/86/66/223118666.db2.gz HQUAQNVUUFZYSE-OTWHNJEPSA-N 1 0 329.488 2.991 40 0 EFABRO CC(=O)N(C)c1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000072596421 216279309 /nfs/dbraw/zinc/27/93/09/216279309.db2.gz BYWLPEBYAUOSSM-UHFFFAOYSA-N 1 0 344.459 2.761 40 0 EFABRO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000153356789 296037262 /nfs/dbraw/zinc/03/72/62/296037262.db2.gz ADEKDESWGLRTFH-UKRRQHHQSA-N 1 0 337.261 2.592 40 0 EFABRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000073131181 216353569 /nfs/dbraw/zinc/35/35/69/216353569.db2.gz LASYEKLGEJDPNJ-HOTGVXAUSA-N 1 0 336.863 2.671 40 0 EFABRO Cc1cccc(OCC(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023128039 212352531 /nfs/dbraw/zinc/35/25/31/212352531.db2.gz RDBMRXGOYGDQRL-UHFFFAOYSA-N 1 0 342.439 2.995 40 0 EFABRO Cc1cccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023127675 212351858 /nfs/dbraw/zinc/35/18/58/212351858.db2.gz ITCREQFVKKNBQW-UHFFFAOYSA-N 1 0 348.468 2.779 40 0 EFABRO CN(C)CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000022804831 212326314 /nfs/dbraw/zinc/32/63/14/212326314.db2.gz ZHGJNFMLJLTVGT-UHFFFAOYSA-N 1 0 335.455 2.645 40 0 EFABRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000022787385 212324751 /nfs/dbraw/zinc/32/47/51/212324751.db2.gz IINQORGUSWRWTQ-ZDUSSCGKSA-N 1 0 339.867 2.622 40 0 EFABRO C[NH+]1CCN([C@H](CNC(=O)C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000022794701 212324775 /nfs/dbraw/zinc/32/47/75/212324775.db2.gz TZUQONKMWAIXPZ-LJQANCHMSA-N 1 0 347.478 2.811 40 0 EFABRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1nccs1 ZINC000192051402 283852329 /nfs/dbraw/zinc/85/23/29/283852329.db2.gz KGAIVEDNCAYOBJ-GXTWGEPZSA-N 1 0 337.832 2.855 40 0 EFABRO O[C@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000195549431 241000078 /nfs/dbraw/zinc/00/00/78/241000078.db2.gz YPNQCGZQYMBYRB-RHSMWYFYSA-N 1 0 330.407 2.665 40 0 EFABRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)[C@@H](C)C1 ZINC000195552122 241000992 /nfs/dbraw/zinc/00/09/92/241000992.db2.gz GOJPLOCNCHZUAO-WMLDXEAASA-N 1 0 333.476 2.788 40 0 EFABRO C[NH+](C)CCNc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799486 241039747 /nfs/dbraw/zinc/03/97/47/241039747.db2.gz HMMYCKOYHFSTTA-UHFFFAOYSA-N 1 0 328.754 2.520 40 0 EFABRO FC(F)(F)c1cccc(Cc2nsc(N3CC[NH2+]CC3)n2)c1 ZINC000216642196 241202466 /nfs/dbraw/zinc/20/24/66/241202466.db2.gz KFMKKHIEOZZLIR-UHFFFAOYSA-N 1 0 328.363 2.557 40 0 EFABRO Cc1ccccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)c(C)cc1N ZINC000216867851 241218285 /nfs/dbraw/zinc/21/82/85/241218285.db2.gz NQHRAUHGBUSDSQ-UHFFFAOYSA-N 1 0 338.455 2.890 40 0 EFABRO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000022057243 212274261 /nfs/dbraw/zinc/27/42/61/212274261.db2.gz QXIKMOVFJXJCIG-GFCCVEGCSA-N 1 0 330.350 2.933 40 0 EFABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037781 241292695 /nfs/dbraw/zinc/29/26/95/241292695.db2.gz LJBXAPWNYOTERF-FHWLQOOXSA-N 1 0 345.464 2.608 40 0 EFABRO [NH3+]C[C@@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663748 241336401 /nfs/dbraw/zinc/33/64/01/241336401.db2.gz RABICIOCUMYJPX-OWCLPIDISA-N 1 0 339.819 2.994 40 0 EFABRO [NH3+]C[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663891 241337356 /nfs/dbraw/zinc/33/73/56/241337356.db2.gz RABICIOCUMYJPX-BZUAXINKSA-N 1 0 339.819 2.994 40 0 EFABRO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549780 241923519 /nfs/dbraw/zinc/92/35/19/241923519.db2.gz YOFMMBOGDCXWQS-KGLIPLIRSA-N 1 0 332.213 2.780 40 0 EFABRO Cc1ccc(C)c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225561947 241927774 /nfs/dbraw/zinc/92/77/74/241927774.db2.gz XDANZQYOAICVNS-UHFFFAOYSA-N 1 0 330.472 2.924 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000226752806 242112592 /nfs/dbraw/zinc/11/25/92/242112592.db2.gz LNUPTHQNWBYSRS-IAGOWNOFSA-N 1 0 338.407 2.742 40 0 EFABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2N)CC1 ZINC000226263481 242093308 /nfs/dbraw/zinc/09/33/08/242093308.db2.gz XLYSTXNOUAGQNE-UHFFFAOYSA-N 1 0 344.846 2.926 40 0 EFABRO Cc1nsc(N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000242346993 243019219 /nfs/dbraw/zinc/01/92/19/243019219.db2.gz ZKXPETXMHOPZPO-KRWDZBQOSA-N 1 0 346.500 2.728 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCO2)C1 ZINC000245224666 243101400 /nfs/dbraw/zinc/10/14/00/243101400.db2.gz AYKMYCWTZDMWQL-JTDSTZFVSA-N 1 0 330.472 2.960 40 0 EFABRO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000020532069 212144486 /nfs/dbraw/zinc/14/44/86/212144486.db2.gz LAOOGKXUXNSGSY-UHFFFAOYSA-N 1 0 335.423 2.710 40 0 EFABRO CC(C)Cc1nsc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000253630084 244041900 /nfs/dbraw/zinc/04/19/00/244041900.db2.gz AKTKPKTVSJGYAP-LSDHHAIUSA-N 1 0 338.521 2.916 40 0 EFABRO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412280 212127237 /nfs/dbraw/zinc/12/72/37/212127237.db2.gz ZUKCIQSRUJAJJS-YNVMFWSZSA-N 1 0 332.488 2.692 40 0 biogenic EFABRO COc1ccc(CC[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1OC ZINC000256053695 244066954 /nfs/dbraw/zinc/06/69/54/244066954.db2.gz SMAYLTVCAATOKR-UHFFFAOYSA-N 1 0 343.349 2.788 40 0 EFABRO COc1ccc(CC[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1OC ZINC000256051830 244067077 /nfs/dbraw/zinc/06/70/77/244067077.db2.gz KQWSPFKGJPZSHL-UHFFFAOYSA-N 1 0 343.349 2.788 40 0 EFABRO Cn1cc(C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257206174 244132389 /nfs/dbraw/zinc/13/23/89/244132389.db2.gz BCEHDEMYZMXGHZ-MRXNPFEDSA-N 1 0 325.412 2.857 40 0 EFABRO O=C(c1cncs1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257205281 244133640 /nfs/dbraw/zinc/13/36/40/244133640.db2.gz AYJKTLBRGHKVDG-HNNXBMFYSA-N 1 0 343.452 2.701 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3ccccc3OC)CCO2)c1 ZINC000257200746 244117561 /nfs/dbraw/zinc/11/75/61/244117561.db2.gz AETAUBRFUIINKG-SFHVURJKSA-N 1 0 341.411 2.654 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)/C=C/c3cccnc3)C2)[nH+]1 ZINC000257214477 244162478 /nfs/dbraw/zinc/16/24/78/244162478.db2.gz CMCWYQHNPKFJOV-LXXRFIIISA-N 1 0 336.439 2.880 40 0 EFABRO O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257221016 244185474 /nfs/dbraw/zinc/18/54/74/244185474.db2.gz DNEGLRLLYVPCMN-UXLLHSPISA-N 1 0 332.419 2.537 40 0 EFABRO Cn1cc(CN2CC[N@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231371 244214000 /nfs/dbraw/zinc/21/40/00/244214000.db2.gz GGKJSMKVUXBHRD-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO Cn1cncc1C[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257244199 244252821 /nfs/dbraw/zinc/25/28/21/244252821.db2.gz IKIWNZKFUGVPGB-BJLQDIEVSA-N 1 0 338.455 2.795 40 0 EFABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257235923 244229837 /nfs/dbraw/zinc/22/98/37/244229837.db2.gz HACFBNAMRYWXFM-INIZCTEOSA-N 1 0 334.427 2.950 40 0 EFABRO O=C1OC[C@H](Cc2ccccc2)N1c1cncc(C2CC[NH2+]CC2)n1 ZINC000257237239 244233522 /nfs/dbraw/zinc/23/35/22/244233522.db2.gz HFSHNDCVPWRLLS-INIZCTEOSA-N 1 0 338.411 2.512 40 0 EFABRO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257240212 244240569 /nfs/dbraw/zinc/24/05/69/244240569.db2.gz HSOOCVPZKYZYLR-QGZVFWFLSA-N 1 0 348.454 2.960 40 0 EFABRO Cc1ncc(-c2nccnc2C2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000257241981 244244451 /nfs/dbraw/zinc/24/44/51/244244451.db2.gz IAMYWHUKJYUPOK-UHFFFAOYSA-N 1 0 348.454 2.960 40 0 EFABRO C[NH2+]C(C)(C)c1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc21 ZINC000077287051 216863365 /nfs/dbraw/zinc/86/33/65/216863365.db2.gz JTKLUEVZWJJXNS-UHFFFAOYSA-N 1 0 335.473 2.548 40 0 in-vitro EFABRO Cc1ccc(C(=O)NCc2cnc(C)nc2[C@H]2CCC[N@H+]2C)cc1F ZINC000257251138 244268347 /nfs/dbraw/zinc/26/83/47/244268347.db2.gz JPNPHTPVSGNAOV-QGZVFWFLSA-N 1 0 342.418 2.929 40 0 EFABRO Cc1cnc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCC[C@@H]32)cn1 ZINC000257252462 244272367 /nfs/dbraw/zinc/27/23/67/244272367.db2.gz JUVJFZJOWYMXAT-WDSOQIARSA-N 1 0 336.439 2.535 40 0 EFABRO COC(=O)c1cc([C@@H](O)C[NH2+][C@H](C)CCc2ccccc2)ccc1O ZINC000077301685 216867896 /nfs/dbraw/zinc/86/78/96/216867896.db2.gz HDMYIQYFFYISIP-KUHUBIRLSA-N 1 0 343.423 2.823 40 0 in-vitro EFABRO CCCOC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257268393 244367035 /nfs/dbraw/zinc/36/70/35/244367035.db2.gz MLMCNGWZHSVYLJ-GOSISDBHSA-N 1 0 331.460 2.880 40 0 EFABRO c1ccc(Nc2cc(CC3CC[NH+]([C@H]4CCOC4)CC3)ncn2)nc1 ZINC000257261318 244346384 /nfs/dbraw/zinc/34/63/84/244346384.db2.gz LGTAZRRHIYMDSA-KRWDZBQOSA-N 1 0 339.443 2.659 40 0 EFABRO Cc1n[nH]cc1CN1CC[N@@H+](C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257271555 244380460 /nfs/dbraw/zinc/38/04/60/244380460.db2.gz MYUHBMWESXGPLZ-QGZVFWFLSA-N 1 0 349.482 2.873 40 0 EFABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)cn1 ZINC000257272324 244381888 /nfs/dbraw/zinc/38/18/88/244381888.db2.gz NBZZCYBBJAEJHV-UHFFFAOYSA-N 1 0 340.814 2.914 40 0 EFABRO C[C@H](NC(=O)CC1CC[NH+](Cc2ccnn2C)CC1)c1ccccc1 ZINC000019748615 212062374 /nfs/dbraw/zinc/06/23/74/212062374.db2.gz VMSDKWLJJJCSSM-INIZCTEOSA-N 1 0 340.471 2.900 40 0 EFABRO Cc1cccc(CNC(=O)CC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000019748352 212061055 /nfs/dbraw/zinc/06/10/55/212061055.db2.gz QHXVKKFKDUZSOE-UHFFFAOYSA-N 1 0 338.455 2.704 40 0 EFABRO O=C(CC1CC[NH+](CCc2ccccc2)CC1)NC1CCOCC1 ZINC000019748327 212061009 /nfs/dbraw/zinc/06/10/09/212061009.db2.gz XRTJEGLVFGGPMZ-UHFFFAOYSA-N 1 0 330.472 2.626 40 0 EFABRO Cn1nccc1C[N@@H+]1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019689207 212055301 /nfs/dbraw/zinc/05/53/01/212055301.db2.gz HZGVPTJQGQTGSN-MRXNPFEDSA-N 1 0 334.427 2.652 40 0 EFABRO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019689209 212055198 /nfs/dbraw/zinc/05/51/98/212055198.db2.gz HZGVPTJQGQTGSN-INIZCTEOSA-N 1 0 334.427 2.652 40 0 EFABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079410221 284193278 /nfs/dbraw/zinc/19/32/78/284193278.db2.gz MEELSOBURCLVDH-KFWWJZLASA-N 1 0 341.496 2.654 40 0 EFABRO COc1cccc(CN2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019565447 212043640 /nfs/dbraw/zinc/04/36/40/212043640.db2.gz WZEGBWAUFWBHPV-LJQANCHMSA-N 1 0 338.455 2.858 40 0 EFABRO Cc1nn([C@H](C)CC(=O)NCC2CC[NH+](C(C)C)CC2)c(C)c1C ZINC000019556204 212042582 /nfs/dbraw/zinc/04/25/82/212042582.db2.gz OEURWWQZZIINKL-CQSZACIVSA-N 1 0 334.508 2.996 40 0 EFABRO CCCn1cc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000019526075 212037570 /nfs/dbraw/zinc/03/75/70/212037570.db2.gz CZQHKJLDODTLBU-CGTJXYLNSA-N 1 0 327.472 2.691 40 0 EFABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000019528049 212039412 /nfs/dbraw/zinc/03/94/12/212039412.db2.gz CMYYIHIXAHKWOR-GOSISDBHSA-N 1 0 340.475 2.515 40 0 EFABRO CCc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3ccccc3OC)C2)n1 ZINC000019522516 212036617 /nfs/dbraw/zinc/03/66/17/212036617.db2.gz KGMHPOAKDQRLFT-OAHLLOKOSA-N 1 0 327.428 2.721 40 0 EFABRO CCc1nnsc1C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019521868 212036424 /nfs/dbraw/zinc/03/64/24/212036424.db2.gz SXBMFYYKBOURJD-AWEZNQCLSA-N 1 0 336.505 2.971 40 0 EFABRO CC1CC[NH+](CCNC(=O)CCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000019496903 212031748 /nfs/dbraw/zinc/03/17/48/212031748.db2.gz ZKBUUQMYRNHFBA-UHFFFAOYSA-N 1 0 348.878 2.997 40 0 EFABRO CC(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019453747 212028803 /nfs/dbraw/zinc/02/88/03/212028803.db2.gz QULMWNKPLGXAPG-UHFFFAOYSA-N 1 0 333.382 2.772 40 0 EFABRO O=C(c1cnccn1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373929 212024702 /nfs/dbraw/zinc/02/47/02/212024702.db2.gz KSEGEGLTADGGQD-ZHALLVOQSA-N 1 0 336.439 2.617 40 0 EFABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1)N1CCCC1 ZINC000019401658 212025932 /nfs/dbraw/zinc/02/59/32/212025932.db2.gz AKCSPLPDODSSFU-OAHLLOKOSA-N 1 0 340.427 2.685 40 0 EFABRO O[C@@H]1C[C@H]2CN(Cc3cccc(F)c3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372789 212023128 /nfs/dbraw/zinc/02/31/28/212023128.db2.gz OGTLWVMXVMKMQK-PCCBWWKXSA-N 1 0 340.442 2.688 40 0 EFABRO O=C1NC2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Nc2ncccc21 ZINC000019371551 212022806 /nfs/dbraw/zinc/02/28/06/212022806.db2.gz KYIZZHYPWGRGTR-NYTJIUQPSA-N 1 0 334.423 2.760 40 0 EFABRO C[NH+]1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019361276 212020638 /nfs/dbraw/zinc/02/06/38/212020638.db2.gz LSWZUMYYYMPZFA-IBGZPJMESA-N 1 0 332.488 2.721 40 0 EFABRO c1csc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c1 ZINC000019341587 212017809 /nfs/dbraw/zinc/01/78/09/212017809.db2.gz PAPMYWQIEZIQLB-AWEZNQCLSA-N 1 0 340.456 2.709 40 0 EFABRO Fc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)cc1F ZINC000019292829 212012984 /nfs/dbraw/zinc/01/29/84/212012984.db2.gz LAJNUZGDMRUPFN-MCPYQZEQSA-N 1 0 336.426 2.898 40 0 EFABRO O=C(CC1CCCCC1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292345 212012195 /nfs/dbraw/zinc/01/21/95/212012195.db2.gz HKRXPBDLLWXMSX-KRWDZBQOSA-N 1 0 328.460 2.756 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)s1 ZINC000019217241 212005986 /nfs/dbraw/zinc/00/59/86/212005986.db2.gz CZIRXXFFQGRYTN-UHFFFAOYSA-N 1 0 338.436 2.760 40 0 EFABRO Cc1nn(C)cc1CN1CC[NH+](CC2(c3ccc(C)cc3)CC2)CC1 ZINC000019208426 212004728 /nfs/dbraw/zinc/00/47/28/212004728.db2.gz MHRCQSSWGKHJJO-UHFFFAOYSA-N 1 0 338.499 2.886 40 0 EFABRO Cc1c(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)cnn1C ZINC000019208446 212004504 /nfs/dbraw/zinc/00/45/04/212004504.db2.gz ZBEGGDNPTQODEB-UHFFFAOYSA-N 1 0 338.499 2.886 40 0 EFABRO CC[NH+]1CCN(CCC(=O)NCCc2cccc3ccccc32)CC1 ZINC000078394352 217046858 /nfs/dbraw/zinc/04/68/58/217046858.db2.gz SLOJCHDSXFYPQU-UHFFFAOYSA-N 1 0 339.483 2.526 40 0 EFABRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cn2ccnc2C)c1 ZINC000078498585 217062984 /nfs/dbraw/zinc/06/29/84/217062984.db2.gz UZQHBTBGQCXYLF-LJQANCHMSA-N 1 0 340.471 2.730 40 0 EFABRO Cn1cc(C[NH2+]Cc2ccccc2-n2ccnc2)c(-c2ccncc2)n1 ZINC000078612730 217087408 /nfs/dbraw/zinc/08/74/08/217087408.db2.gz BKWCKYYZFFYGRL-UHFFFAOYSA-N 1 0 344.422 2.958 40 0 EFABRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000078656938 217097252 /nfs/dbraw/zinc/09/72/52/217097252.db2.gz MZMLCCLRTXPOGU-INIZCTEOSA-N 1 0 326.444 2.781 40 0 EFABRO O=C1OCCN1CCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000078665128 217098243 /nfs/dbraw/zinc/09/82/43/217098243.db2.gz JNITYMBPXDMTJP-UHFFFAOYSA-N 1 0 338.835 2.778 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2ccccn2)CCOCC1)c1ccccc1 ZINC000079096378 217191531 /nfs/dbraw/zinc/19/15/31/217191531.db2.gz AZFVICWMUCJMPM-INIZCTEOSA-N 1 0 339.439 2.711 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2ccncc2)CCOCC1)c1ccccc1 ZINC000079096207 217191797 /nfs/dbraw/zinc/19/17/97/217191797.db2.gz KNRQSPWWQQAMAF-MRXNPFEDSA-N 1 0 339.439 2.711 40 0 EFABRO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n2ncnc2n1 ZINC000110627405 220049746 /nfs/dbraw/zinc/04/97/46/220049746.db2.gz QJLQQKPCMNBFNY-CZUORRHYSA-N 1 0 342.472 2.989 40 0 EFABRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000110674648 220053902 /nfs/dbraw/zinc/05/39/02/220053902.db2.gz OORQTFXGOOOKQX-JZXOWHBKSA-N 1 0 346.471 2.558 40 0 EFABRO COc1ccc(C[C@@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000110695707 220056386 /nfs/dbraw/zinc/05/63/86/220056386.db2.gz GCBRCEYZHIMEER-JTDSTZFVSA-N 1 0 347.503 2.855 40 0 EFABRO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CCCO1 ZINC000110704571 220059209 /nfs/dbraw/zinc/05/92/09/220059209.db2.gz WMRGCRJMFHHSRZ-UGFHNGPFSA-N 1 0 329.437 2.837 40 0 EFABRO CC(C)N(C[C@@H]1CCC[N@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411176 217221983 /nfs/dbraw/zinc/22/19/83/217221983.db2.gz YNNSDPVHILXRRQ-GOSISDBHSA-N 1 0 334.460 2.738 40 0 EFABRO CC[C@H](NC(=O)NCC[NH+]1CCC(OC)CC1)c1ccc(C)cc1 ZINC000080057156 217275638 /nfs/dbraw/zinc/27/56/38/217275638.db2.gz XVRJZBLWDGXEGL-SFHVURJKSA-N 1 0 333.476 2.856 40 0 EFABRO C[C@@H]1C[C@H](Nc2cnn(C)c(=O)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000080230945 217290503 /nfs/dbraw/zinc/29/05/03/217290503.db2.gz QOSYQRQEPYPZQG-UKRRQHHQSA-N 1 0 346.862 2.899 40 0 EFABRO O=C(c1cc2nccnc2cc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000240707833 296198879 /nfs/dbraw/zinc/19/88/79/296198879.db2.gz HQTHADPJMSGTTO-CQSZACIVSA-N 1 0 342.418 2.859 40 0 EFABRO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000012327757 211349527 /nfs/dbraw/zinc/34/95/27/211349527.db2.gz JNJFCAZKWYQYOU-GOSISDBHSA-N 1 0 333.378 2.982 40 0 EFABRO COc1cccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)c1 ZINC000012292512 211335261 /nfs/dbraw/zinc/33/52/61/211335261.db2.gz WVACHMKWBZWKJU-LJQANCHMSA-N 1 0 345.414 2.851 40 0 EFABRO COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1CO ZINC000012292977 211335233 /nfs/dbraw/zinc/33/52/33/211335233.db2.gz UXPYFFHYGRNUQP-UHFFFAOYSA-N 1 0 341.451 2.980 40 0 EFABRO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[NH2+]C1 ZINC000012275194 211333937 /nfs/dbraw/zinc/33/39/37/211333937.db2.gz SVCOSIIRXLUCBT-SFHVURJKSA-N 1 0 332.375 2.956 40 0 EFABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)C1CCOCC1 ZINC000012187150 211313978 /nfs/dbraw/zinc/31/39/78/211313978.db2.gz KTRBCPXNUDAQJM-UHFFFAOYSA-N 1 0 342.483 2.725 40 0 EFABRO CC1CC[NH+](C[C@H](O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000012181048 211310821 /nfs/dbraw/zinc/31/08/21/211310821.db2.gz CXEQDEYROKSWSL-IBGZPJMESA-N 1 0 328.456 2.751 40 0 EFABRO COc1ccc(COC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000012172165 211310497 /nfs/dbraw/zinc/31/04/97/211310497.db2.gz PDGLJUZHLDWIOM-UXLLHSPISA-N 1 0 337.460 2.559 40 0 EFABRO COC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000090717911 217949884 /nfs/dbraw/zinc/94/98/84/217949884.db2.gz NAQHUJNHJSMBJO-QGZVFWFLSA-N 1 0 336.863 2.959 40 0 EFABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCC[NH2+]C1 ZINC000012157387 211309707 /nfs/dbraw/zinc/30/97/07/211309707.db2.gz HROBTYJZQSTEFW-ACJLOTCBSA-N 1 0 334.391 2.642 40 0 EFABRO C[C@H](C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012220721 211322265 /nfs/dbraw/zinc/32/22/65/211322265.db2.gz PTNBHISUDWAWEG-CQSZACIVSA-N 1 0 347.422 2.801 40 0 EFABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)C(C)C)CC3)CC2)cc1 ZINC000012220091 211321757 /nfs/dbraw/zinc/32/17/57/211321757.db2.gz PBOWUWKQKUFBSH-UHFFFAOYSA-N 1 0 330.472 2.963 40 0 EFABRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000090891683 217955545 /nfs/dbraw/zinc/95/55/45/217955545.db2.gz JLPBCFNTBOBVIM-HXUWFJFHSA-N 1 0 343.446 2.682 40 0 EFABRO c1nnc([C@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)n1C1CC1 ZINC000091630668 218035856 /nfs/dbraw/zinc/03/58/56/218035856.db2.gz LFASCYHFVVUECD-KRWDZBQOSA-N 1 0 338.455 2.970 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000010051756 211144165 /nfs/dbraw/zinc/14/41/65/211144165.db2.gz KCHDBRQCWCWCCN-GASCZTMLSA-N 1 0 329.444 2.730 40 0 EFABRO CN1CCN(c2ncc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439501 218226120 /nfs/dbraw/zinc/22/61/20/218226120.db2.gz KELSAXKCKBOSSW-HXUWFJFHSA-N 1 0 341.503 2.551 40 0 EFABRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000009112149 211040133 /nfs/dbraw/zinc/04/01/33/211040133.db2.gz CKSROPOIMVGMFC-UHFFFAOYSA-N 1 0 336.482 2.822 40 0 EFABRO O=C1c2cccn2CC[C@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861923 211012283 /nfs/dbraw/zinc/01/22/83/211012283.db2.gz CEIQCDHCBWDJOZ-ICSRJNTNSA-N 1 0 333.411 2.760 40 0 EFABRO Cc1nc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000095393068 218325410 /nfs/dbraw/zinc/32/54/10/218325410.db2.gz KYJZDFMNSJVWBU-CQSZACIVSA-N 1 0 342.443 2.897 40 0 EFABRO CCC[C@@H]1SCCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000095405609 218341402 /nfs/dbraw/zinc/34/14/02/218341402.db2.gz XGNHWDUGILWCTG-INIZCTEOSA-N 1 0 336.505 2.684 40 0 EFABRO CNC(=O)Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000095407873 218343839 /nfs/dbraw/zinc/34/38/39/218343839.db2.gz BLLBVYLAHBQMHP-INIZCTEOSA-N 1 0 343.471 2.568 40 0 EFABRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000095423596 218365835 /nfs/dbraw/zinc/36/58/35/218365835.db2.gz XYJOFDQWOZUOFN-LBPRGKRZSA-N 1 0 345.353 2.670 40 0 EFABRO COc1ccc2cccc(CC(=O)N(C)C[C@@H]3CC[N@H+](C)C3)c2c1 ZINC000095435959 218378273 /nfs/dbraw/zinc/37/82/73/218378273.db2.gz XGWFKZRNVHNMPY-OAHLLOKOSA-N 1 0 326.440 2.801 40 0 EFABRO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000095443579 218387879 /nfs/dbraw/zinc/38/78/79/218387879.db2.gz GCBRCEYZHIMEER-FCEWJHQRSA-N 1 0 347.503 2.855 40 0 EFABRO c1csc(CN2CCOC3(CC[NH+](Cc4ccoc4)CC3)C2)n1 ZINC000096048974 218537530 /nfs/dbraw/zinc/53/75/30/218537530.db2.gz AHCJGZKUNTZQMJ-UHFFFAOYSA-N 1 0 333.457 2.603 40 0 EFABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000096058330 218550258 /nfs/dbraw/zinc/55/02/58/218550258.db2.gz WCFHXINSHDBHCF-FHWLQOOXSA-N 1 0 336.439 2.727 40 0 EFABRO Cc1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)o1 ZINC000096061044 218554353 /nfs/dbraw/zinc/55/43/53/218554353.db2.gz DAIGTNGNKXWZRV-CQSZACIVSA-N 1 0 330.413 2.597 40 0 EFABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1cc3ccccc3s1)C2 ZINC000096219835 218696119 /nfs/dbraw/zinc/69/61/19/218696119.db2.gz NOFCCXCZAZOCSF-HNAYVOBHSA-N 1 0 344.480 2.942 40 0 EFABRO Cc1cccc(C(=O)N2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)c1 ZINC000096220771 218697008 /nfs/dbraw/zinc/69/70/08/218697008.db2.gz RRIUICPSYGBLAE-GOSISDBHSA-N 1 0 328.456 2.855 40 0 EFABRO CCCCS[C@@H](C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096412692 218768695 /nfs/dbraw/zinc/76/86/95/218768695.db2.gz HVKHWXPFNAUADR-GJZGRUSLSA-N 1 0 328.522 2.525 40 0 EFABRO Brc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217557407 532958905 /nfs/dbraw/zinc/95/89/05/532958905.db2.gz QULDMIPQJBLIAB-LLVKDONJSA-N 1 0 344.216 2.631 40 0 EFABRO Brc1cccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)c1 ZINC000217557289 532967135 /nfs/dbraw/zinc/96/71/35/532967135.db2.gz NKZNVTCJWPZVLZ-NSHDSACASA-N 1 0 344.216 2.631 40 0 EFABRO COCCN1CC2(CC1=O)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000108531165 285008328 /nfs/dbraw/zinc/00/83/28/285008328.db2.gz ZBZLEUDIGYDOGT-UHFFFAOYSA-N 1 0 336.863 2.801 40 0 EFABRO Cc1nc(-c2cccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2)no1 ZINC000096423593 218791105 /nfs/dbraw/zinc/79/11/05/218791105.db2.gz WFOFIQAWTKUISI-CQSZACIVSA-N 1 0 342.443 2.897 40 0 EFABRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000096434682 218811744 /nfs/dbraw/zinc/81/17/44/218811744.db2.gz KHZAYRWSRLLTQJ-INIZCTEOSA-N 1 0 344.459 2.544 40 0 EFABRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000096478127 218855160 /nfs/dbraw/zinc/85/51/60/218855160.db2.gz FTCFBYACFAOOQJ-ACJLOTCBSA-N 1 0 348.468 2.971 40 0 EFABRO C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(O)(c2ccccc2F)CC1 ZINC000004967554 210342074 /nfs/dbraw/zinc/34/20/74/210342074.db2.gz VBWFUJBANZVJRM-MAUKXSAKSA-N 1 0 348.462 2.804 40 0 EFABRO CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1C[NH2+]C ZINC000004950155 210337536 /nfs/dbraw/zinc/33/75/36/210337536.db2.gz AXPJMIKGUGFBST-UHFFFAOYSA-N 1 0 341.205 2.543 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004908046 210319669 /nfs/dbraw/zinc/31/96/69/210319669.db2.gz UITMDFSXBGPNRC-GFCCVEGCSA-N 1 0 348.834 2.787 40 0 EFABRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000097230942 219000511 /nfs/dbraw/zinc/00/05/11/219000511.db2.gz MCMBWJBODYWTIW-INIZCTEOSA-N 1 0 345.468 2.568 40 0 EFABRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000097238284 219003423 /nfs/dbraw/zinc/00/34/23/219003423.db2.gz LZPQDRRCBQAENV-IBGZPJMESA-N 1 0 342.414 2.712 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCn2ccnc2)cc1 ZINC000097375025 219018459 /nfs/dbraw/zinc/01/84/59/219018459.db2.gz KOOADZUSHYLTKD-MSOLQXFVSA-N 1 0 347.484 2.566 40 0 EFABRO C[C@@H](O)C[N@H+](C[C@H](C)O)[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000004782934 210276415 /nfs/dbraw/zinc/27/64/15/210276415.db2.gz ONNLDWXJRIGIMG-FVJLSDCUSA-N 1 0 341.451 2.603 40 0 EFABRO c1cnn(Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000154973963 224336705 /nfs/dbraw/zinc/33/67/05/224336705.db2.gz BEWJYHUXHHBIHI-UHFFFAOYSA-N 1 0 327.428 2.707 40 0 EFABRO C[NH+]1CCN(c2ncccc2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000072216580 257687849 /nfs/dbraw/zinc/68/78/49/257687849.db2.gz XOXAKEPNDMRDLQ-INIZCTEOSA-N 1 0 346.475 2.905 40 0 EFABRO O[C@H](C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000006536065 285349196 /nfs/dbraw/zinc/34/91/96/285349196.db2.gz AUMJBIPLLCCDSA-CYBMUJFWSA-N 1 0 331.197 2.811 40 0 EFABRO C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@@H](C)O1 ZINC000097044933 258068025 /nfs/dbraw/zinc/06/80/25/258068025.db2.gz YUHXPZZFASYIRI-NXEZZACHSA-N 1 0 348.274 2.939 40 0 EFABRO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC2)c1 ZINC000036741398 132392445 /nfs/dbraw/zinc/39/24/45/132392445.db2.gz WDFNEEPNPXMREC-FQEVSTJZSA-N 1 0 338.451 2.786 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2N)CC1 ZINC000226263450 135592652 /nfs/dbraw/zinc/59/26/52/135592652.db2.gz XHUZBWCNSWAERQ-UHFFFAOYSA-N 1 0 342.418 2.802 40 0 EFABRO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[C@@H](C[NH+](C)C)O3)cc1F ZINC000096206755 292063297 /nfs/dbraw/zinc/06/32/97/292063297.db2.gz YKGIYXJVFDIGJI-QFBILLFUSA-N 1 0 334.435 2.850 40 0 EFABRO COc1cc(OC)nc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342353149 145107058 /nfs/dbraw/zinc/10/70/58/145107058.db2.gz VZPDHAMMZDDZLV-HNNXBMFYSA-N 1 0 342.443 2.595 40 0 EFABRO C[C@H](C[N@H+](C1CCC(C)CC1)C1CCC(O)CC1)CS(C)(=O)=O ZINC000096486848 544558991 /nfs/dbraw/zinc/55/89/91/544558991.db2.gz OGZIRSDYQUFTHX-YRNZIALDSA-N 1 0 345.549 2.851 40 0 EFABRO CCn1nc(C)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000271535455 266003017 /nfs/dbraw/zinc/00/30/17/266003017.db2.gz CPCNQMYRAZOWFE-UHFFFAOYSA-N 1 0 341.459 2.561 40 0 EFABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]CC(C)(C)C)COC1 ZINC000096112747 274005430 /nfs/dbraw/zinc/00/54/30/274005430.db2.gz CVZDUIIBUDZYPW-ZDUSSCGKSA-N 1 0 331.416 2.530 40 0 biogenic,in-vitro EFABRO COCCC(=O)N1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096075196 274018543 /nfs/dbraw/zinc/01/85/43/274018543.db2.gz VVTQNZKBHNTMSG-UHFFFAOYSA-N 1 0 334.435 2.819 40 0 EFABRO COCC[NH+]1CCC2(CN(C(=O)C3CC3)c3ccc(F)cc32)CC1 ZINC000096161040 274026093 /nfs/dbraw/zinc/02/60/93/274026093.db2.gz YKMGBTFFYZVLPY-UHFFFAOYSA-N 1 0 332.419 2.562 40 0 EFABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[NH2+]1 ZINC000072352971 274035926 /nfs/dbraw/zinc/03/59/26/274035926.db2.gz MGXWUGVCSOHZFS-CYBMUJFWSA-N 1 0 332.469 2.962 40 0 EFABRO CO[C@H]1CC[N@H+](Cc2cccs2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109457 274080880 /nfs/dbraw/zinc/08/08/80/274080880.db2.gz BJXXWUSNCNMZCF-OTWHNJEPSA-N 1 0 343.496 2.864 40 0 EFABRO COc1cc2c(c(OC)c1OC)CC[N@H+](CCc1ccccn1)CC2 ZINC000253433082 274100683 /nfs/dbraw/zinc/10/06/83/274100683.db2.gz RPOJBHNPDZBVAL-UHFFFAOYSA-N 1 0 342.439 2.751 40 0 EFABRO COc1cccc([C@H]2Cn3ccnc3CN2C2CC[NH+](C)CC2)c1 ZINC000257216168 274149228 /nfs/dbraw/zinc/14/92/28/274149228.db2.gz CTKVDDZGZODDQL-GOSISDBHSA-N 1 0 326.444 2.543 40 0 EFABRO Cc1occc1-c1cc2nc(C)c(C)c(N3CC[NH+](C)CC3)n2n1 ZINC000072336844 274877897 /nfs/dbraw/zinc/87/78/97/274877897.db2.gz HNYISDXYBRYRDF-UHFFFAOYSA-N 1 0 325.416 2.666 40 0 EFABRO O=C([C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2CC1CC1)N1CCCC1 ZINC000096262465 275010186 /nfs/dbraw/zinc/01/01/86/275010186.db2.gz AFQPIPVIRUXUAT-QUCCMNQESA-N 1 0 326.440 2.519 40 0 EFABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096100336 275021373 /nfs/dbraw/zinc/02/13/73/275021373.db2.gz QKDJZCKEFKQOMM-NRFANRHFSA-N 1 0 333.435 2.982 40 0 EFABRO CC(C)(C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C(N)=O ZINC000195558816 275549539 /nfs/dbraw/zinc/54/95/39/275549539.db2.gz XCETYRJPSWZLON-GFCCVEGCSA-N 1 0 329.213 2.677 40 0 EFABRO CC(=O)c1c(F)cc(F)cc1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000095439113 277102467 /nfs/dbraw/zinc/10/24/67/277102467.db2.gz MHRWLYGZIWETLC-CQSZACIVSA-N 1 0 327.371 2.639 40 0 EFABRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000195561660 277284592 /nfs/dbraw/zinc/28/45/92/277284592.db2.gz KLVIAGOJILPPTJ-USXIJHARSA-N 1 0 325.474 2.704 40 0 EFABRO CO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108600 277292871 /nfs/dbraw/zinc/29/28/71/277292871.db2.gz QIMBVBVNQVOALR-IPMKNSEASA-N 1 0 345.443 2.606 40 0 EFABRO COc1ccccc1CN1Cc2ccnn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000248116445 278049801 /nfs/dbraw/zinc/04/98/01/278049801.db2.gz BFSSTRAOADYBHB-KRWDZBQOSA-N 1 0 340.471 2.620 40 0 EFABRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000188598208 278116066 /nfs/dbraw/zinc/11/60/66/278116066.db2.gz IEQNZQBPNXCQNX-IIAWOOMASA-N 1 0 327.421 2.595 40 0 EFABRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1N(C)C ZINC000078048056 278310686 /nfs/dbraw/zinc/31/06/86/278310686.db2.gz LHNWGZXZTFNMOT-CQSZACIVSA-N 1 0 347.484 2.593 40 0 EFABRO CC[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000245380369 281059216 /nfs/dbraw/zinc/05/92/16/281059216.db2.gz XSNMHHKCQGMGIY-RDJZCZTQSA-N 1 0 343.427 2.541 40 0 EFABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096241994 281941390 /nfs/dbraw/zinc/94/13/90/281941390.db2.gz WMALKUCGYCAAQO-DLBZAZTESA-N 1 0 342.483 2.775 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000248757259 290032695 /nfs/dbraw/zinc/03/26/95/290032695.db2.gz VJLVPKAVHYJZTB-DXEWXGHRSA-N 1 0 335.469 2.698 40 0 EFABRO O=C(C1CCOCC1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257294647 295451628 /nfs/dbraw/zinc/45/16/28/295451628.db2.gz QVBDALWLXJDHQF-UFYCRDLUSA-N 1 0 342.483 2.940 40 0 EFABRO Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc[nH+]1 ZINC000302252221 311187340 /nfs/dbraw/zinc/18/73/40/311187340.db2.gz ASTSIQVYAHYIBO-UHFFFAOYSA-N 1 0 345.468 2.518 40 0 EFABRO C[C@@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000331318281 311367344 /nfs/dbraw/zinc/36/73/44/311367344.db2.gz DMOYUGHOELRZMA-HNNXBMFYSA-N 1 0 331.503 2.573 40 0 EFABRO C[C@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000331318282 311367363 /nfs/dbraw/zinc/36/73/63/311367363.db2.gz DMOYUGHOELRZMA-OAHLLOKOSA-N 1 0 331.503 2.573 40 0 EFABRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230732 323214010 /nfs/dbraw/zinc/21/40/10/323214010.db2.gz XUJUSWYKPOFPKS-HOCLYGCPSA-N 1 0 342.480 2.516 40 0 EFABRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122894506 323216314 /nfs/dbraw/zinc/21/63/14/323216314.db2.gz DHSQHJAZLQFJIM-QLFBSQMISA-N 1 0 349.479 2.881 40 0 EFABRO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000128086283 323217773 /nfs/dbraw/zinc/21/77/73/323217773.db2.gz MKQLNEIKCFAOSB-GJZGRUSLSA-N 1 0 334.464 2.860 40 0 EFABRO Cc1cccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)n1 ZINC000183379520 323332840 /nfs/dbraw/zinc/33/28/40/323332840.db2.gz CDPQBXCMRPVZIG-FQEVSTJZSA-N 1 0 325.456 2.862 40 0 EFABRO CC(C)n1nnnc1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189947309 323453428 /nfs/dbraw/zinc/45/34/28/323453428.db2.gz LOMOJHHAWGZQQJ-HOTGVXAUSA-N 1 0 342.491 2.500 40 0 EFABRO C[C@@H](C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000195573028 323530079 /nfs/dbraw/zinc/53/00/79/323530079.db2.gz RQLATJJWCVVRDF-IRXDYDNUSA-N 1 0 347.478 2.558 40 0 EFABRO C[C@H](C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000195573030 323530231 /nfs/dbraw/zinc/53/02/31/323530231.db2.gz RQLATJJWCVVRDF-SJORKVTESA-N 1 0 347.478 2.558 40 0 EFABRO C[NH+](C)CCn1cc(NCc2cc(F)ccc2Br)cn1 ZINC000090184667 472607956 /nfs/dbraw/zinc/60/79/56/472607956.db2.gz WIYVQHKJSUOQCQ-UHFFFAOYSA-N 1 0 341.228 2.958 40 0 EFABRO CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000081494422 473208684 /nfs/dbraw/zinc/20/86/84/473208684.db2.gz LBWBXGHOSRDOOB-IAGOWNOFSA-N 1 0 337.508 2.852 40 0 EFABRO O=C(Nc1ccccc1O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161666434 473251399 /nfs/dbraw/zinc/25/13/99/473251399.db2.gz WNYPAKAHCDRYNI-UHFFFAOYSA-N 1 0 345.487 2.919 40 0 EFABRO CC[NH+](CC)CCCNC(=O)c1ccn(-c2ccc3ccccn32)n1 ZINC000096038048 473258751 /nfs/dbraw/zinc/25/87/51/473258751.db2.gz CYUZKTNDSDUDHZ-UHFFFAOYSA-N 1 0 339.443 2.587 40 0 EFABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039148 473259723 /nfs/dbraw/zinc/25/97/23/473259723.db2.gz LVPJSJSMPHZSRT-UXHICEINSA-N 1 0 349.471 2.764 40 0 EFABRO COC[C@@]12CCCO[C@H]1CC[N@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039150 473259790 /nfs/dbraw/zinc/25/97/90/473259790.db2.gz LVPJSJSMPHZSRT-PMACEKPBSA-N 1 0 349.471 2.764 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096040348 473260834 /nfs/dbraw/zinc/26/08/34/473260834.db2.gz YBAAHNBWFGSKGV-QUCCMNQESA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040255 473261580 /nfs/dbraw/zinc/26/15/80/473261580.db2.gz 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ZINC000096047109 473269007 /nfs/dbraw/zinc/26/90/07/473269007.db2.gz RMOPKOVTZUGEQC-HXUWFJFHSA-N 1 0 339.439 2.732 40 0 EFABRO Cn1cc(CN2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269066 /nfs/dbraw/zinc/26/90/66/473269066.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 1 0 330.501 2.970 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@H](N4CCOCC4)CO3)CC2)s1 ZINC000096047966 473269369 /nfs/dbraw/zinc/26/93/69/473269369.db2.gz RCFNDJRDYRTNMM-INIZCTEOSA-N 1 0 336.501 2.512 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048338 473271722 /nfs/dbraw/zinc/27/17/22/473271722.db2.gz YCWLQZVJFMNDNN-WBVHZDCISA-N 1 0 330.457 2.774 40 0 EFABRO COc1ccc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)cc1 ZINC000096048918 473271742 /nfs/dbraw/zinc/27/17/42/473271742.db2.gz RTBGGFAFXQXYCZ-UHFFFAOYSA-N 1 0 330.472 2.772 40 0 EFABRO O=C(c1ccccc1)N1CCOC2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000096049000 473271998 /nfs/dbraw/zinc/27/19/98/473271998.db2.gz OFJNWSOWGHNBGD-UHFFFAOYSA-N 1 0 340.423 2.787 40 0 EFABRO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)nn1 ZINC000096048438 473272133 /nfs/dbraw/zinc/27/21/33/473272133.db2.gz NQBVHPHEFQBGNR-SJLPKXTDSA-N 1 0 328.416 2.614 40 0 EFABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](CC4CCOCC4)C3)C2=O)c1 ZINC000096050600 473273302 /nfs/dbraw/zinc/27/33/02/473273302.db2.gz KBUMPSBMIVXARB-OAQYLSRUSA-N 1 0 342.483 2.846 40 0 EFABRO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000096050208 473273607 /nfs/dbraw/zinc/27/36/07/473273607.db2.gz HFMJLHNLRBLXQZ-LJQANCHMSA-N 1 0 341.480 2.671 40 0 EFABRO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096050209 473273694 /nfs/dbraw/zinc/27/36/94/473273694.db2.gz STKUFVPFRNPCCH-IBGZPJMESA-N 1 0 341.480 2.671 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cncnc2)C3)c1 ZINC000096049530 473273735 /nfs/dbraw/zinc/27/37/35/473273735.db2.gz YNCODFZWNYMUAL-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](CC3CCOCC3)C2)CN1c1cccc(F)c1 ZINC000096050754 473273899 /nfs/dbraw/zinc/27/38/99/473273899.db2.gz XRDFXTRDRAEUFY-LJQANCHMSA-N 1 0 332.419 2.681 40 0 EFABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096051587 473274957 /nfs/dbraw/zinc/27/49/57/473274957.db2.gz YCUOXXRMZPZGMA-KRWDZBQOSA-N 1 0 340.427 2.586 40 0 EFABRO O=C(NCC1CC1)[C@@H]1C[N@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052126 473274977 /nfs/dbraw/zinc/27/49/77/473274977.db2.gz SSJGZSOELUWJAD-INIZCTEOSA-N 1 0 334.485 2.503 40 0 EFABRO Cc1noc(C)c1CN1C[C@]2(CC[N@H+](Cc3cccs3)C2)CC1=O ZINC000096050943 473275273 /nfs/dbraw/zinc/27/52/73/473275273.db2.gz CDBSZTQTHGNOJC-GOSISDBHSA-N 1 0 345.468 2.978 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)cc1 ZINC000096053686 473275344 /nfs/dbraw/zinc/27/53/44/473275344.db2.gz GEMKIUUZWCEECW-YOEHRIQHSA-N 1 0 328.437 2.852 40 0 EFABRO O=C(N[C@@H]1CCC12CC[NH+](Cc1ccsc1)CC2)c1cnccn1 ZINC000096051483 473276435 /nfs/dbraw/zinc/27/64/35/473276435.db2.gz LRRRJLOIPZPEDG-MRXNPFEDSA-N 1 0 342.468 2.713 40 0 EFABRO O=C(N[C@H]1CCC12CC[NH+](Cc1ccsc1)CC2)c1cnccn1 ZINC000096051482 473276670 /nfs/dbraw/zinc/27/66/70/473276670.db2.gz LRRRJLOIPZPEDG-INIZCTEOSA-N 1 0 342.468 2.713 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)o1 ZINC000096050907 473276958 /nfs/dbraw/zinc/27/69/58/473276958.db2.gz JLUOZIJIANMXDK-GOSISDBHSA-N 1 0 345.468 2.978 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)s1 ZINC000096054357 473277888 /nfs/dbraw/zinc/27/78/88/473277888.db2.gz LVVPYLRTPCKFOY-MSOLQXFVSA-N 1 0 347.484 2.747 40 0 EFABRO Cc1nc(CO[C@@H]2C[N@H+](Cc3cccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096055875 473278428 /nfs/dbraw/zinc/27/84/28/473278428.db2.gz JRGKXUSAMDGBDB-ARFHVFGLSA-N 1 0 336.482 2.929 40 0 EFABRO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)cc1 ZINC000096055808 473279239 /nfs/dbraw/zinc/27/92/39/473279239.db2.gz QZFCQIHWMLCSAS-UXHICEINSA-N 1 0 330.472 2.770 40 0 EFABRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cccs4)CC[N@@H+]3C2)n1 ZINC000096055066 473279305 /nfs/dbraw/zinc/27/93/05/473279305.db2.gz ALPOSNWRPHAPTP-QZTJIDSGSA-N 1 0 343.496 2.927 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096055120 473279374 /nfs/dbraw/zinc/27/93/74/473279374.db2.gz OUPCXOYGLAYPHJ-ZWKOTPCHSA-N 1 0 329.469 2.618 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)cs1 ZINC000096055118 473279864 /nfs/dbraw/zinc/27/98/64/473279864.db2.gz OUPCXOYGLAYPHJ-QZTJIDSGSA-N 1 0 329.469 2.618 40 0 EFABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1ccc(C)s1)C2 ZINC000096059347 473282517 /nfs/dbraw/zinc/28/25/17/473282517.db2.gz WDUKOSYNLTXJAM-OAHLLOKOSA-N 1 0 332.469 2.512 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)s1 ZINC000096058288 473283519 /nfs/dbraw/zinc/28/35/19/473283519.db2.gz VMKSKLQATUTMNM-IXDOHACOSA-N 1 0 334.485 2.562 40 0 EFABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](CC3CCOCC3)CC2)N1 ZINC000096061426 473284913 /nfs/dbraw/zinc/28/49/13/473284913.db2.gz JPFBIHTXYXYKCN-SFHVURJKSA-N 1 0 328.456 2.551 40 0 EFABRO Fc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096062471 473285457 /nfs/dbraw/zinc/28/54/57/473285457.db2.gz MPQIKMFGBJFJGM-HXUWFJFHSA-N 1 0 341.430 2.950 40 0 EFABRO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096062407 473285657 /nfs/dbraw/zinc/28/56/57/473285657.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 1 0 343.496 2.868 40 0 EFABRO c1cc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cs1 ZINC000096061035 473285703 /nfs/dbraw/zinc/28/57/03/473285703.db2.gz QACDYBDTQXLUAM-ZDUSSCGKSA-N 1 0 332.454 2.757 40 0 EFABRO c1csc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)c1 ZINC000096061027 473285741 /nfs/dbraw/zinc/28/57/41/473285741.db2.gz GMNIGSGIGMDMOJ-LBPRGKRZSA-N 1 0 332.454 2.757 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1 ZINC000096064942 473286389 /nfs/dbraw/zinc/28/63/89/473286389.db2.gz IAMYBYOGFYLVJO-KBRIMQKVSA-N 1 0 346.452 2.637 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096065946 473287297 /nfs/dbraw/zinc/28/72/97/473287297.db2.gz ZDNLCQWJCQHOFI-QRVBRYPASA-N 1 0 343.427 2.635 40 0 EFABRO O=C(c1ccncc1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096062847 473288164 /nfs/dbraw/zinc/28/81/64/473288164.db2.gz CKUHOUIIFYWQST-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072580 473289229 /nfs/dbraw/zinc/28/92/29/473289229.db2.gz VMVOBMKRPPIXAG-MJGOQNOKSA-N 1 0 326.444 2.574 40 0 EFABRO COCCC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071055 473289372 /nfs/dbraw/zinc/28/93/72/473289372.db2.gz OUOPVPNNLITTLM-SFHVURJKSA-N 1 0 336.863 2.943 40 0 EFABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076256 473290466 /nfs/dbraw/zinc/29/04/66/473290466.db2.gz AWZLXMTXKQSXHK-FQEVSTJZSA-N 1 0 330.472 2.579 40 0 EFABRO Cc1oncc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000096079736 473290898 /nfs/dbraw/zinc/29/08/98/473290898.db2.gz VLWKTVRWVGWHTK-MRXNPFEDSA-N 1 0 341.411 2.701 40 0 EFABRO CCC[NH+]1CCC(N2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080584 473291434 /nfs/dbraw/zinc/29/14/34/473291434.db2.gz PEZVVCFAXYMTME-LPHOPBHVSA-N 1 0 342.487 2.709 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccc(C)o1)CC2 ZINC000096078391 473292015 /nfs/dbraw/zinc/29/20/15/473292015.db2.gz XRKISKJGBCHQFZ-INIZCTEOSA-N 1 0 334.460 2.940 40 0 EFABRO CC(C)Nc1nc2c(c(NC(C)C)n1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096083845 473292346 /nfs/dbraw/zinc/29/23/46/473292346.db2.gz XWRITROSWQMLIS-OAHLLOKOSA-N 1 0 347.507 2.554 40 0 EFABRO O=C(c1ccncc1)N1C[C@H]2C[NH+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096081023 473292893 /nfs/dbraw/zinc/29/28/93/473292893.db2.gz LTSLDESIHMXOAN-IAGOWNOFSA-N 1 0 341.842 2.939 40 0 EFABRO c1ccc(OC[C@@H]2CC3(CO2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106204 473298421 /nfs/dbraw/zinc/29/84/21/473298421.db2.gz LNCAMRFTNWPHKK-SFHVURJKSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(C[NH+]2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)nc1 ZINC000096106961 473298497 /nfs/dbraw/zinc/29/84/97/473298497.db2.gz JQQJGLJHHICXCQ-QGZVFWFLSA-N 1 0 325.412 2.679 40 0 EFABRO c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108770 473301612 /nfs/dbraw/zinc/30/16/12/473301612.db2.gz QYUOIZVBZOBULQ-WOJBJXKFSA-N 1 0 331.456 2.578 40 0 EFABRO O=C(C1=CCCC1)N1C[C@@H]2C[N@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108184 473302943 /nfs/dbraw/zinc/30/29/43/473302943.db2.gz MEGPGZACOFAJTB-DOTOQJQBSA-N 1 0 332.469 2.518 40 0 EFABRO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4cccnc4)CC[N@@H+]3C2)c1 ZINC000096110703 473303346 /nfs/dbraw/zinc/30/33/46/473303346.db2.gz JSBVORPPEWRCAE-MJGOQNOKSA-N 1 0 327.403 2.558 40 0 EFABRO O=C(NCCc1cccs1)[C@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096110011 473303481 /nfs/dbraw/zinc/30/34/81/473303481.db2.gz MJWGIDSLGLYWQR-QGZVFWFLSA-N 1 0 348.512 2.830 40 0 EFABRO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4cccnc4)CC[N@@H+]3C2)c1 ZINC000096110702 473303596 /nfs/dbraw/zinc/30/35/96/473303596.db2.gz JSBVORPPEWRCAE-IEBWSBKVSA-N 1 0 327.403 2.558 40 0 EFABRO c1ccc(OC[C@@]23CCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096110420 473304076 /nfs/dbraw/zinc/30/40/76/473304076.db2.gz MABDHEABYQYRKO-MJGOQNOKSA-N 1 0 325.412 2.537 40 0 EFABRO O=C(NCc1cccs1)[C@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096110005 473304099 /nfs/dbraw/zinc/30/40/99/473304099.db2.gz NIVXYBIZPXTUOS-MRXNPFEDSA-N 1 0 334.485 2.788 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)s1 ZINC000096110761 473304208 /nfs/dbraw/zinc/30/42/08/473304208.db2.gz LBDVDBLIQREAKM-HZPDHXFCSA-N 1 0 330.457 2.560 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC000096109911 473304447 /nfs/dbraw/zinc/30/44/47/473304447.db2.gz QRSSNDBOIHEEOV-SFHVURJKSA-N 1 0 346.446 2.866 40 0 EFABRO COc1ccc(O[C@H]2COCC[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000096113227 473305856 /nfs/dbraw/zinc/30/58/56/473305856.db2.gz MCZHBZXLOLHVJR-HXUWFJFHSA-N 1 0 343.423 2.984 40 0 biogenic,in-vitro EFABRO O=C(c1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161489 473319693 /nfs/dbraw/zinc/31/96/93/473319693.db2.gz QHKIGGPWDAZWMR-CALCHBBNSA-N 1 0 341.842 2.939 40 0 EFABRO Cc1nc(C[N@@H+]2CCC3(C2)CCN(c2ncccn2)CC3)cs1 ZINC000096157431 473316519 /nfs/dbraw/zinc/31/65/19/473316519.db2.gz NZWMKCVADKFVLT-UHFFFAOYSA-N 1 0 329.473 2.734 40 0 EFABRO O=C(C1CC=CC1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096157424 473316684 /nfs/dbraw/zinc/31/66/84/473316684.db2.gz WTCXCIIDZYVYAQ-UHFFFAOYSA-N 1 0 325.456 2.862 40 0 EFABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3nccs3)C2)CC1 ZINC000096157450 473316855 /nfs/dbraw/zinc/31/68/55/473316855.db2.gz KUSBTNZFCWAEQP-UHFFFAOYSA-N 1 0 342.468 2.666 40 0 EFABRO Cc1ccc(N2CCC3(CC2)CC[NH+](C2CCOCC2)CC3)nn1 ZINC000096158490 473317776 /nfs/dbraw/zinc/31/77/76/473317776.db2.gz NMYATZQPTOQGRU-UHFFFAOYSA-N 1 0 330.476 2.646 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096158246 473318326 /nfs/dbraw/zinc/31/83/26/473318326.db2.gz HJZXZEILEGWEBA-FQEVSTJZSA-N 1 0 338.455 2.978 40 0 EFABRO Cn1cccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158056 473318477 /nfs/dbraw/zinc/31/84/77/473318477.db2.gz DJRYUYPQBYEDDY-FQEVSTJZSA-N 1 0 338.455 2.548 40 0 EFABRO Fc1cnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)nc1 ZINC000096158051 473318544 /nfs/dbraw/zinc/31/85/44/473318544.db2.gz DXDLKOYJWDPSMG-GOSISDBHSA-N 1 0 327.407 2.503 40 0 EFABRO O=C(c1cnccn1)N1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096158180 473318637 /nfs/dbraw/zinc/31/86/37/473318637.db2.gz ZDDOGURFCWRHAW-GOSISDBHSA-N 1 0 342.468 2.666 40 0 EFABRO O=C(NC1CCCCCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000124904711 473324780 /nfs/dbraw/zinc/32/47/80/473324780.db2.gz SDYVFSJQCSCKIC-UHFFFAOYSA-N 1 0 337.508 2.853 40 0 EFABRO O=C(c1cccc(Cl)c1)N1CC[C@H]2CO[C@H](C[NH+]3CCCC3)[C@H]2C1 ZINC000096185416 473326187 /nfs/dbraw/zinc/32/61/87/473326187.db2.gz YRWPVQBLSJRXHR-RYQLBKOJSA-N 1 0 348.874 2.913 40 0 EFABRO C[N@@H+](Cc1ccco1)C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000096185354 473327097 /nfs/dbraw/zinc/32/70/97/473327097.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 1 0 347.484 2.705 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096184197 473327881 /nfs/dbraw/zinc/32/78/81/473327881.db2.gz WBCUVVHJHZRSGA-ZWKOTPCHSA-N 1 0 325.412 2.667 40 0 EFABRO c1coc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000096186707 473328733 /nfs/dbraw/zinc/32/87/33/473328733.db2.gz HEMXYVSIMBJYHA-QYZOEREBSA-N 1 0 335.444 2.845 40 0 EFABRO Cc1nc(CN2CCc3ncc(C[N@@H+](C)C(C)C)n3CC2)cs1 ZINC000096196842 473332846 /nfs/dbraw/zinc/33/28/46/473332846.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 1 0 333.505 2.547 40 0 EFABRO Cc1ccc(C[NH2+][C@@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)o1 ZINC000096196612 473332945 /nfs/dbraw/zinc/33/29/45/473332945.db2.gz BTFKYNODWDCFQD-GOSISDBHSA-N 1 0 349.434 2.840 40 0 EFABRO O=C1C[C@@H](c2cccnc2)C2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096199695 473335463 /nfs/dbraw/zinc/33/54/63/473335463.db2.gz YSDFWAFEMSXFJZ-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1noc(C)c1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096201206 473337002 /nfs/dbraw/zinc/33/70/02/473337002.db2.gz JQQYHIVJFRDEER-AWEZNQCLSA-N 1 0 331.464 2.905 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096202208 473337427 /nfs/dbraw/zinc/33/74/27/473337427.db2.gz OUYUCWYYRMADGF-GOSISDBHSA-N 1 0 347.484 2.769 40 0 EFABRO O=C(c1cccs1)N1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202149 473338418 /nfs/dbraw/zinc/33/84/18/473338418.db2.gz YEUSXSCYSAGFHS-GOSISDBHSA-N 1 0 346.452 2.706 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096207586 473343835 /nfs/dbraw/zinc/34/38/35/473343835.db2.gz BNWJMVUCEIXTBU-INIZCTEOSA-N 1 0 336.863 2.913 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21)NCCc1cccs1 ZINC000096208151 473343562 /nfs/dbraw/zinc/34/35/62/473343562.db2.gz QZEAVXCOFQPMIW-OLMNPRSZSA-N 1 0 348.512 2.686 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]12)NCCc1cccs1 ZINC000096205931 473340100 /nfs/dbraw/zinc/34/01/00/473340100.db2.gz QZEAVXCOFQPMIW-ZTFGCOKTSA-N 1 0 348.512 2.686 40 0 EFABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3cccs3)C2)C1)c1ccco1 ZINC000096205932 473340620 /nfs/dbraw/zinc/34/06/20/473340620.db2.gz ZTLIWMTZPIUJKR-RDTXWAMCSA-N 1 0 346.452 2.895 40 0 EFABRO Cn1cccc1C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)O1 ZINC000096207787 473342801 /nfs/dbraw/zinc/34/28/01/473342801.db2.gz JLYYKCJSSLIQTC-YLJYHZDGSA-N 1 0 345.487 2.711 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@@H+]1CC1CC1 ZINC000096209509 473344164 /nfs/dbraw/zinc/34/41/64/473344164.db2.gz RGXSZJJTCBBGNG-GOSISDBHSA-N 1 0 332.488 2.979 40 0 EFABRO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096209181 473344199 /nfs/dbraw/zinc/34/41/99/473344199.db2.gz YNMBNVRMUXFUEZ-PMACEKPBSA-N 1 0 339.439 2.817 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c1 ZINC000096208704 473344854 /nfs/dbraw/zinc/34/48/54/473344854.db2.gz HFQMLLOUQDROFV-AZUAARDMSA-N 1 0 328.456 2.741 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096209609 473344871 /nfs/dbraw/zinc/34/48/71/473344871.db2.gz BVHCOLONSPYTNS-LPHOPBHVSA-N 1 0 343.427 2.889 40 0 EFABRO COC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3C)CC2)[N@@H+]1C ZINC000096209329 473345074 /nfs/dbraw/zinc/34/50/74/473345074.db2.gz GCHWBLVXCWILCE-INIZCTEOSA-N 1 0 334.435 2.850 40 0 EFABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000096209212 473345342 /nfs/dbraw/zinc/34/53/42/473345342.db2.gz TYVMBSVWTGPQIL-UYAOXDASSA-N 1 0 328.456 2.741 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]12)NCc1cccs1 ZINC000096209126 473345729 /nfs/dbraw/zinc/34/57/29/473345729.db2.gz AMOHLNHKAWJMTQ-KBRIMQKVSA-N 1 0 334.485 2.644 40 0 EFABRO COC[C@@H]1CCC2(CCN(C(=O)c3cscn3)CC2)[N@@H+]1CC1CC1 ZINC000096209925 473346152 /nfs/dbraw/zinc/34/61/52/473346152.db2.gz IWTNYXCMJIBLDL-HNNXBMFYSA-N 1 0 349.500 2.639 40 0 EFABRO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000096217240 473349334 /nfs/dbraw/zinc/34/93/34/473349334.db2.gz DSZWEIHALCTBFQ-ZTFGCOKTSA-N 1 0 345.830 2.656 40 0 EFABRO O=C(N[C@H]1COCCC12CC[NH+](CCc1ccccc1)CC2)C1CC1 ZINC000096216933 473350407 /nfs/dbraw/zinc/35/04/07/473350407.db2.gz BVYHOSMEFVNXMW-IBGZPJMESA-N 1 0 342.483 2.626 40 0 EFABRO Cc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219504 473350978 /nfs/dbraw/zinc/35/09/78/473350978.db2.gz DAJPQBWOAQOSTH-YOEHRIQHSA-N 1 0 330.457 2.692 40 0 EFABRO Cc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219502 473350999 /nfs/dbraw/zinc/35/09/99/473350999.db2.gz DAJPQBWOAQOSTH-PBHICJAKSA-N 1 0 330.457 2.692 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096219312 473351581 /nfs/dbraw/zinc/35/15/81/473351581.db2.gz PZKZPORFVLMSDI-WMLDXEAASA-N 1 0 330.457 2.692 40 0 EFABRO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4cccs4)C[C@H]23)cn1 ZINC000096219452 473351625 /nfs/dbraw/zinc/35/16/25/473351625.db2.gz CDCXYJYIWOEZIK-ZTFGCOKTSA-N 1 0 330.453 2.977 40 0 EFABRO CC[NH+](CC)[C@H]1CCO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096218476 473352583 /nfs/dbraw/zinc/35/25/83/473352583.db2.gz PVHIBULETVHJAK-FUHWJXTLSA-N 1 0 336.501 2.783 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219175 473352691 /nfs/dbraw/zinc/35/26/91/473352691.db2.gz SGPXYXMELVKMCZ-KSSFIOAISA-N 1 0 346.406 2.671 40 0 EFABRO c1ncn2c1C[N@H+](CC1CCC1)C[C@H](COCc1ccccn1)C2 ZINC000096219864 473353727 /nfs/dbraw/zinc/35/37/27/473353727.db2.gz KSMLABYYTZIDMD-KRWDZBQOSA-N 1 0 326.444 2.727 40 0 EFABRO O=C([C@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)N1CCCO1 ZINC000096220298 473353251 /nfs/dbraw/zinc/35/32/51/473353251.db2.gz RHZAGEAPKSYNGH-QGZVFWFLSA-N 1 0 348.418 2.503 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cccc(C)c1)C2 ZINC000096219895 473354606 /nfs/dbraw/zinc/35/46/06/473354606.db2.gz AVRTVGRDSJUOLA-TZIWHRDSSA-N 1 0 342.483 2.816 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccs2)C3)nc1 ZINC000096223254 473355035 /nfs/dbraw/zinc/35/50/35/473355035.db2.gz BIYGMVOIBRKRIP-WMLDXEAASA-N 1 0 348.447 2.913 40 0 EFABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096224563 473355504 /nfs/dbraw/zinc/35/55/04/473355504.db2.gz ONPLKKXABNBYMZ-QGZVFWFLSA-N 1 0 328.441 2.557 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096223643 473355852 /nfs/dbraw/zinc/35/58/52/473355852.db2.gz DBIIQEDIFLRMMA-VQTJNVASSA-N 1 0 339.439 2.988 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)s1 ZINC000096224566 473356021 /nfs/dbraw/zinc/35/60/21/473356021.db2.gz CHNUCXXEKYAWAZ-SFHVURJKSA-N 1 0 342.468 2.866 40 0 EFABRO Cc1cnc(N2CC[C@@H](F)[C@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000096241254 473362845 /nfs/dbraw/zinc/36/28/45/473362845.db2.gz XUYSOBWSOWHXHL-AEFFLSMTSA-N 1 0 330.407 2.819 40 0 EFABRO c1coc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229315 473359871 /nfs/dbraw/zinc/35/98/71/473359871.db2.gz BIHSHVPOSCPDEF-HXUWFJFHSA-N 1 0 341.455 2.789 40 0 EFABRO CCCC(=O)N[C@H]1CC2(CC[NH+](CCOC)CC2)Oc2ccccc21 ZINC000096242760 473362489 /nfs/dbraw/zinc/36/24/89/473362489.db2.gz DKIGCUVYKCPDRV-KRWDZBQOSA-N 1 0 346.471 2.908 40 0 EFABRO FCC[N@@H+]1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 ZINC000096242565 473362542 /nfs/dbraw/zinc/36/25/42/473362542.db2.gz NVUZCUMRYAGIJS-UHFFFAOYSA-N 1 0 326.419 2.800 40 0 EFABRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2=O)n1 ZINC000096245364 473363577 /nfs/dbraw/zinc/36/35/77/473363577.db2.gz LZQRSPUVVDZGQF-RDJZCZTQSA-N 1 0 327.453 2.542 40 0 EFABRO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CCN1Cc1ccncc1 ZINC000096249092 473364327 /nfs/dbraw/zinc/36/43/27/473364327.db2.gz RYNLUJVHOCQDOL-NVXWUHKLSA-N 1 0 327.453 2.624 40 0 EFABRO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2=O)cs1 ZINC000096245217 473364407 /nfs/dbraw/zinc/36/44/07/473364407.db2.gz RWUWFVBIGZCPOL-ZFWWWQNUSA-N 1 0 333.482 2.603 40 0 EFABRO O=C(c1ccsc1)N1CCO[C@@H]2C[N@H+](Cc3ccco3)CC[C@@H]2C1 ZINC000096249885 473364561 /nfs/dbraw/zinc/36/45/61/473364561.db2.gz ZTDLTTDZNWAPTP-RHSMWYFYSA-N 1 0 346.452 2.704 40 0 EFABRO Cc1nc(CN2CCO[C@H]3CC[N@H+](Cc4ccoc4)CC[C@@H]32)cs1 ZINC000096249399 473364685 /nfs/dbraw/zinc/36/46/85/473364685.db2.gz AQIJKKNHIMJDJT-ROUUACIJSA-N 1 0 347.484 2.910 40 0 EFABRO O=C(c1ccncc1)N1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245566 473365144 /nfs/dbraw/zinc/36/51/44/473365144.db2.gz OAHKYJBBMWDKNQ-IRXDYDNUSA-N 1 0 341.842 2.939 40 0 EFABRO Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000096246152 473365290 /nfs/dbraw/zinc/36/52/90/473365290.db2.gz OZXDVJKMFLKAHS-IPMKNSEASA-N 1 0 328.456 2.568 40 0 EFABRO COC1=C[C@@]2(C)Oc3c4c(ccc3OC)C[C@@H]3C(=C1)[C@@]42CC[N@@H+]3C ZINC000096316409 473375069 /nfs/dbraw/zinc/37/50/69/473375069.db2.gz OCGWLMGQNPQBHG-YSGRDPCXSA-N 1 0 325.408 2.815 40 0 biogenic,in-vitro EFABRO CC(C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000096404191 473382145 /nfs/dbraw/zinc/38/21/45/473382145.db2.gz FTZCNZJGXIZJOQ-KRWDZBQOSA-N 1 0 346.475 2.517 40 0 EFABRO COCC[NH+]1CCC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000096402384 473378616 /nfs/dbraw/zinc/37/86/16/473378616.db2.gz NKHQXHNHRMXTSK-UHFFFAOYSA-N 1 0 348.340 2.685 40 0 EFABRO Cn1cc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cn1 ZINC000096402680 473378868 /nfs/dbraw/zinc/37/88/68/473378868.db2.gz KNQROPZSHDKCOT-UHFFFAOYSA-N 1 0 325.460 2.564 40 0 EFABRO CC[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000096406884 473384598 /nfs/dbraw/zinc/38/45/98/473384598.db2.gz DRXLPQPVWKEGFK-BBRMVZONSA-N 1 0 337.439 2.596 40 0 EFABRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000162809333 473384824 /nfs/dbraw/zinc/38/48/24/473384824.db2.gz XIYLWXADFXVIQY-UHFFFAOYSA-N 1 0 348.809 2.664 40 0 EFABRO COC(=O)c1ccc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000096407648 473385364 /nfs/dbraw/zinc/38/53/64/473385364.db2.gz NBFMFDHETWPZTN-CQSZACIVSA-N 1 0 340.427 2.901 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000096407629 473385791 /nfs/dbraw/zinc/38/57/91/473385791.db2.gz VRAUXVFFZSRMEU-KSSFIOAISA-N 1 0 327.403 2.861 40 0 EFABRO CCCCCC[N@H+](C)CC(=O)Nc1ccccc1-c1nncn1C ZINC000096411189 473389802 /nfs/dbraw/zinc/38/98/02/473389802.db2.gz QSVLDEAITGEVAN-UHFFFAOYSA-N 1 0 329.448 2.933 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COC[C@H]1CC=CCC1 ZINC000000098651 471323263 /nfs/dbraw/zinc/32/32/63/471323263.db2.gz DNWJWTMARZAQCW-IRXDYDNUSA-N 1 0 329.464 2.762 40 0 EFABRO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1cccc(Cl)c1 ZINC000000098696 471323526 /nfs/dbraw/zinc/32/35/26/471323526.db2.gz CEOWUCQYUSMIJO-OAHLLOKOSA-N 1 0 331.823 2.868 40 0 EFABRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000000166988 471329952 /nfs/dbraw/zinc/32/99/52/471329952.db2.gz OXXHXPODIXKWPP-HOCLYGCPSA-N 1 0 331.412 2.794 40 0 EFABRO CCn1c(C)[n+](C[C@H](O)COc2ccc(F)cc2)c2ccccc21 ZINC000000316256 471346835 /nfs/dbraw/zinc/34/68/35/471346835.db2.gz FUAGPQZBYNQYKA-INIZCTEOSA-N 1 0 329.395 2.836 40 0 EFABRO CC[N@@H+]1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390430 471354323 /nfs/dbraw/zinc/35/43/23/471354323.db2.gz OJYOTLHNSMYONM-IBGZPJMESA-N 1 0 339.435 2.950 40 0 EFABRO COC(=O)[C@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000001280293 471385355 /nfs/dbraw/zinc/38/53/55/471385355.db2.gz CZLWGXKWXLVFJU-JBJYXUDUSA-N 1 0 338.451 2.786 40 0 EFABRO O=C(COc1ccc(Cl)cc1Cl)NCC[NH+]1CCCCC1 ZINC000001569030 471393371 /nfs/dbraw/zinc/39/33/71/471393371.db2.gz DCPFLSPOQBDRON-UHFFFAOYSA-N 1 0 331.243 2.974 40 0 EFABRO O=C(OCC[NH+]1CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001602793 471394089 /nfs/dbraw/zinc/39/40/89/471394089.db2.gz PWSPYDPXLSEQQH-UHFFFAOYSA-N 1 0 325.408 2.562 40 0 EFABRO COc1ccc([C@H]2C[NH2+]Cc3cc(OC)c(OC)cc32)cc1OC ZINC000003847192 471455415 /nfs/dbraw/zinc/45/54/15/471455415.db2.gz DXGTVOYDVCAEFZ-OAHLLOKOSA-N 1 0 329.396 2.956 40 0 EFABRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3F)cc2)CC1 ZINC000005172736 471489413 /nfs/dbraw/zinc/48/94/13/471489413.db2.gz WVSGHGFTZXVYNU-UHFFFAOYSA-N 1 0 327.403 2.759 40 0 EFABRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(=O)OCC ZINC000005385410 471502435 /nfs/dbraw/zinc/50/24/35/471502435.db2.gz JALPQYLINKUOPW-CAOSSQGBSA-N 1 0 325.449 2.820 40 0 EFABRO CC[N@@H+]1CC[C@@](O)(c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)C1 ZINC000005807732 471520942 /nfs/dbraw/zinc/52/09/42/471520942.db2.gz MCZXWOOFKFFDNJ-AZUAARDMSA-N 1 0 341.407 2.510 40 0 EFABRO S=C(NCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006332724 471540290 /nfs/dbraw/zinc/54/02/90/471540290.db2.gz KDJBHSAQVBZLKU-UHFFFAOYSA-N 1 0 329.469 2.908 40 0 EFABRO Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000006556785 471551358 /nfs/dbraw/zinc/55/13/58/471551358.db2.gz PSSBCZKPPVJWCN-OTWHNJEPSA-N 1 0 340.467 2.730 40 0 EFABRO CCOc1cccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1OC ZINC000007127479 471593455 /nfs/dbraw/zinc/59/34/55/471593455.db2.gz VDTJTAQXLJCUHQ-INIZCTEOSA-N 1 0 337.383 2.540 40 0 EFABRO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000008126597 471663973 /nfs/dbraw/zinc/66/39/73/471663973.db2.gz GAYFHICMHXUKBG-GOSISDBHSA-N 1 0 337.423 2.733 40 0 EFABRO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008267661 471675881 /nfs/dbraw/zinc/67/58/81/471675881.db2.gz HRPBXLQVYZVWKH-SJLPKXTDSA-N 1 0 344.455 2.602 40 0 EFABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCn2ccnc2)CC1 ZINC000009062981 471709849 /nfs/dbraw/zinc/70/98/49/471709849.db2.gz UZTAKWHLCXLAPI-UHFFFAOYSA-N 1 0 340.471 2.610 40 0 EFABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccoc3)n2)CC1 ZINC000012252351 471770299 /nfs/dbraw/zinc/77/02/99/471770299.db2.gz ADSPFNJWWSYUPK-UHFFFAOYSA-N 1 0 339.399 2.842 40 0 EFABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)on1 ZINC000013226071 471822908 /nfs/dbraw/zinc/82/29/08/471822908.db2.gz NFIQCQLVOZRRFG-QWHCGFSZSA-N 1 0 334.445 2.717 40 0 EFABRO c1csc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569027 471833815 /nfs/dbraw/zinc/83/38/15/471833815.db2.gz QNABMOLIQKEKET-UHFFFAOYSA-N 1 0 331.485 2.868 40 0 EFABRO Cc1cccc2c(=O)c(NC(=O)NCC[NH+]3CCCCC3)c[nH]c12 ZINC000013565893 471833985 /nfs/dbraw/zinc/83/39/85/471833985.db2.gz QAUOHHQQHIQAFX-UHFFFAOYSA-N 1 0 328.416 2.856 40 0 EFABRO COc1ccccc1C[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013998421 471846977 /nfs/dbraw/zinc/84/69/77/471846977.db2.gz VXLHZAKDEOGQCZ-UHFFFAOYSA-N 1 0 338.363 2.555 40 0 EFABRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccccc1 ZINC000014775991 471878345 /nfs/dbraw/zinc/87/83/45/471878345.db2.gz UIKKRTUUKOKKCH-SFHVURJKSA-N 1 0 325.412 2.711 40 0 EFABRO Cc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019237265 471978579 /nfs/dbraw/zinc/97/85/79/471978579.db2.gz HWCRZKYADOESCK-FDFHNCONSA-N 1 0 336.479 2.857 40 0 EFABRO c1cnn(-c2ccccc2C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000066990959 471979491 /nfs/dbraw/zinc/97/94/91/471979491.db2.gz VUAKHXVMOYNLDM-UHFFFAOYSA-N 1 0 348.450 2.999 40 0 EFABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1)N1CCCC1 ZINC000019401661 471979807 /nfs/dbraw/zinc/97/98/07/471979807.db2.gz AKCSPLPDODSSFU-HNNXBMFYSA-N 1 0 340.427 2.685 40 0 EFABRO O[C@@H]1C[C@H]2CN(Cc3ccsc3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372796 471980042 /nfs/dbraw/zinc/98/00/42/471980042.db2.gz DTPXCMUJTPLMIX-GBESFXJTSA-N 1 0 328.481 2.610 40 0 EFABRO C[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000019457743 471980051 /nfs/dbraw/zinc/98/00/51/471980051.db2.gz CYQUFWHZCIXFPK-CVEARBPZSA-N 1 0 328.460 2.615 40 0 EFABRO CCc1cc(N2CC[NH+](CC)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000019522190 471980213 /nfs/dbraw/zinc/98/02/13/471980213.db2.gz HWVZCYAPMJQZEN-UHFFFAOYSA-N 1 0 338.459 2.599 40 0 EFABRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000019342966 471980325 /nfs/dbraw/zinc/98/03/25/471980325.db2.gz JNIBHYAJTCUVJN-HZPDHXFCSA-N 1 0 336.501 2.896 40 0 EFABRO Cc1nn(C[C@H](C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)c1C ZINC000019556863 471981299 /nfs/dbraw/zinc/98/12/99/471981299.db2.gz GYBBRLXAZXFZSV-GJZGRUSLSA-N 1 0 334.508 2.825 40 0 EFABRO COc1cc2c(cc1CN1CC[C@@H]3[NH2+]CCCCC[C@H]31)OCCCO2 ZINC000019712070 471982612 /nfs/dbraw/zinc/98/26/12/471982612.db2.gz UOJKAVSYNLSPRT-DLBZAZTESA-N 1 0 346.471 2.963 40 0 EFABRO CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CC[N@H+](CC(C)(C)C)C2)n1 ZINC000019693753 471982753 /nfs/dbraw/zinc/98/27/53/471982753.db2.gz WLNRFYIBOLVYQI-AWEZNQCLSA-N 1 0 342.491 2.779 40 0 EFABRO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000019696563 471982837 /nfs/dbraw/zinc/98/28/37/471982837.db2.gz RLAOAIKIEVUWNF-LJQANCHMSA-N 1 0 327.428 2.875 40 0 EFABRO CC[N@H+](C)[C@@H]1CN(C(=O)CCn2nc(C)nc2C)C2(C1)CCCCC2 ZINC000019703942 471982882 /nfs/dbraw/zinc/98/28/82/471982882.db2.gz XFNSIFGUEJAZPL-KRWDZBQOSA-N 1 0 347.507 2.541 40 0 EFABRO COc1cccc(OC)c1C[N@@H+]1CCCC[C@@H]2[C@H]1CCN2C(C)=O ZINC000019712362 471982923 /nfs/dbraw/zinc/98/29/23/471982923.db2.gz LXSDDONGPUUWKT-IAGOWNOFSA-N 1 0 332.444 2.679 40 0 EFABRO COc1ccc(C[N@@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1OC ZINC000019712584 471984069 /nfs/dbraw/zinc/98/40/69/471984069.db2.gz QDWGJUXBQIHJEI-IAGOWNOFSA-N 1 0 332.444 2.679 40 0 EFABRO CCC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000020139160 471986492 /nfs/dbraw/zinc/98/64/92/471986492.db2.gz FSUIZSDCYKZCRD-INIZCTEOSA-N 1 0 334.512 2.830 40 0 EFABRO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CC(C)C ZINC000054473396 472090345 /nfs/dbraw/zinc/09/03/45/472090345.db2.gz QTWYZLDQQDUUIS-UHFFFAOYSA-N 1 0 340.471 2.599 40 0 EFABRO COc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc(OC)c1OC ZINC000025407714 472094812 /nfs/dbraw/zinc/09/48/12/472094812.db2.gz KBMWUPWYQFAOJG-CYBMUJFWSA-N 1 0 336.432 2.915 40 0 EFABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(Cl)Cl ZINC000025464986 472098064 /nfs/dbraw/zinc/09/80/64/472098064.db2.gz ROAKOJPZCODBQM-AWEZNQCLSA-N 1 0 327.255 2.961 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(SC)n3C)C2)cc1 ZINC000026441085 472135455 /nfs/dbraw/zinc/13/54/55/472135455.db2.gz DWADXOMINRMLEG-CQSZACIVSA-N 1 0 332.473 2.925 40 0 EFABRO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000026780895 472148255 /nfs/dbraw/zinc/14/82/55/472148255.db2.gz HLWHYSGVJNPWHM-GOSISDBHSA-N 1 0 346.858 2.902 40 0 EFABRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000084157323 472152429 /nfs/dbraw/zinc/15/24/29/472152429.db2.gz HILXCUYLIQNYJQ-KBPBESRZSA-N 1 0 333.398 2.987 40 0 EFABRO Cc1csc(=O)n1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000084267989 472160985 /nfs/dbraw/zinc/16/09/85/472160985.db2.gz ORVLOTPLDGASHN-UHFFFAOYSA-N 1 0 332.469 2.899 40 0 EFABRO CCOc1ccccc1OCC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000075644815 472175153 /nfs/dbraw/zinc/17/51/53/472175153.db2.gz KCTNKKUNXZGTLP-QGZVFWFLSA-N 1 0 348.487 2.649 40 0 EFABRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000027396275 472175701 /nfs/dbraw/zinc/17/57/01/472175701.db2.gz JKXQPLJRARLPSN-SMDDNHRTSA-N 1 0 340.851 2.881 40 0 EFABRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000087293274 472322244 /nfs/dbraw/zinc/32/22/44/472322244.db2.gz YSUUKHAWCCYRGV-OAHLLOKOSA-N 1 0 349.450 2.701 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1cccnc1 ZINC000076480434 472352875 /nfs/dbraw/zinc/35/28/75/472352875.db2.gz GNLSMPCFSDFWLS-PXNSSMCTSA-N 1 0 337.467 2.993 40 0 EFABRO COc1cc(C)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1OC ZINC000097095450 472444039 /nfs/dbraw/zinc/44/40/39/472444039.db2.gz AYASKLXTJOQWDL-UHFFFAOYSA-N 1 0 333.350 2.901 40 0 EFABRO CC(=O)N1CC[C@H](C[N@H+](C)CCc2cccc(Br)c2)C1 ZINC000097095446 472444155 /nfs/dbraw/zinc/44/41/55/472444155.db2.gz KZVVEWDQEHQGQQ-OAHLLOKOSA-N 1 0 339.277 2.792 40 0 EFABRO CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC000032733732 472460773 /nfs/dbraw/zinc/46/07/73/472460773.db2.gz KBEDORKVUMNQLZ-ICSRJNTNSA-N 1 0 338.451 2.972 40 0 EFABRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCN1CCCCCC1=O ZINC000032740412 472462358 /nfs/dbraw/zinc/46/23/58/472462358.db2.gz CJQRZZBDXCSNLL-INIZCTEOSA-N 1 0 331.460 2.786 40 0 EFABRO CN(C)c1ncc(CN2CCCC[C@H]2CC[NH+]2CCCCC2)cn1 ZINC000057823260 472479912 /nfs/dbraw/zinc/47/99/12/472479912.db2.gz ZRBZSAHFBHBGEV-SFHVURJKSA-N 1 0 331.508 2.773 40 0 EFABRO CCOc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000097228280 472483987 /nfs/dbraw/zinc/48/39/87/472483987.db2.gz CLFIDMRHBRIWGB-QFBILLFUSA-N 1 0 340.471 2.876 40 0 EFABRO Fc1ccc(OCC[NH2+]C2CCN(Cc3cccnc3)CC2)c(F)c1 ZINC000097228504 472484388 /nfs/dbraw/zinc/48/43/88/472484388.db2.gz GQMHZLSAAQXHRI-UHFFFAOYSA-N 1 0 347.409 2.993 40 0 EFABRO Cc1csc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)n1 ZINC000097237686 472485806 /nfs/dbraw/zinc/48/58/06/472485806.db2.gz NGXXIEKAGZTNRK-XHSDSOJGSA-N 1 0 333.501 2.968 40 0 EFABRO Cc1csc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)n1 ZINC000097237688 472485960 /nfs/dbraw/zinc/48/59/60/472485960.db2.gz NGXXIEKAGZTNRK-OAGGEKHMSA-N 1 0 333.501 2.968 40 0 EFABRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccncc1 ZINC000097370682 472491710 /nfs/dbraw/zinc/49/17/10/472491710.db2.gz BMDLIKNSWVSUPP-LLVKDONJSA-N 1 0 326.368 2.929 40 0 EFABRO Cn1cc(-c2cccc(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)c2)cn1 ZINC000097376506 472492994 /nfs/dbraw/zinc/49/29/94/472492994.db2.gz RFEOZXKLZLSJEH-LJQANCHMSA-N 1 0 338.455 2.578 40 0 EFABRO c1snnc1CN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000097373133 472493562 /nfs/dbraw/zinc/49/35/62/472493562.db2.gz MOODXJKMMJJRAQ-JQHSSLGASA-N 1 0 328.485 2.928 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC1=CCOCC1 ZINC000097378423 472494675 /nfs/dbraw/zinc/49/46/75/472494675.db2.gz VVUZWWUATXCKBM-APWZRJJASA-N 1 0 343.471 2.543 40 0 EFABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000058156284 472508688 /nfs/dbraw/zinc/50/86/88/472508688.db2.gz GAWZGWOXTCQEEL-RDTXWAMCSA-N 1 0 349.450 2.945 40 0 EFABRO CC[N@@H+]1CCC[C@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000046087866 472509854 /nfs/dbraw/zinc/50/98/54/472509854.db2.gz PFVZJFGECIWPMA-LJQANCHMSA-N 1 0 331.435 2.512 40 0 EFABRO C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928481 472524107 /nfs/dbraw/zinc/52/41/07/472524107.db2.gz JHDWWVPVWHMAPS-MRXNPFEDSA-N 1 0 339.439 2.882 40 0 EFABRO COc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000077457129 472529841 /nfs/dbraw/zinc/52/98/41/472529841.db2.gz XGIJFSNXTLWGBM-RYUDHWBXSA-N 1 0 331.865 2.794 40 0 EFABRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000058439167 472570239 /nfs/dbraw/zinc/57/02/39/472570239.db2.gz VNGIVLTWZQTNCN-ZDUSSCGKSA-N 1 0 346.443 2.898 40 0 EFABRO Cc1cccc([C@H](O)C[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000090521096 472630817 /nfs/dbraw/zinc/63/08/17/472630817.db2.gz ZXOVOQXAVPHNDM-HXUWFJFHSA-N 1 0 325.456 2.678 40 0 EFABRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592539 472641142 /nfs/dbraw/zinc/64/11/42/472641142.db2.gz WJOLRJIIOVTNDJ-UONOGXRCSA-N 1 0 342.361 2.825 40 0 EFABRO CC(C)Oc1ccc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1 ZINC000090699826 472653257 /nfs/dbraw/zinc/65/32/57/472653257.db2.gz RSLAXBPUUQYOHD-INIZCTEOSA-N 1 0 336.501 2.983 40 0 EFABRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000156000163 472653505 /nfs/dbraw/zinc/65/35/05/472653505.db2.gz NVTJJBVFLUBCPN-NSHDSACASA-N 1 0 337.445 2.556 40 0 EFABRO O=C(COc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCC1 ZINC000061547514 472706612 /nfs/dbraw/zinc/70/66/12/472706612.db2.gz JBKMJERVQJEUMY-UHFFFAOYSA-N 1 0 330.350 2.686 40 0 EFABRO NC(=O)N1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132964430 472766321 /nfs/dbraw/zinc/76/63/21/472766321.db2.gz CUHGXRWGBQZHPJ-AWEZNQCLSA-N 1 0 342.365 2.611 40 0 EFABRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000073131176 472775260 /nfs/dbraw/zinc/77/52/60/472775260.db2.gz LASYEKLGEJDPNJ-CVEARBPZSA-N 1 0 336.863 2.671 40 0 EFABRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)s1 ZINC000091630987 472787599 /nfs/dbraw/zinc/78/75/99/472787599.db2.gz BVBZBTLDOYSICK-GFCCVEGCSA-N 1 0 346.456 2.841 40 0 EFABRO Cn1cc(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cn1 ZINC000079032888 472808786 /nfs/dbraw/zinc/80/87/86/472808786.db2.gz JGXRQIJWOCNKIB-UHFFFAOYSA-N 1 0 340.471 2.655 40 0 EFABRO O=C(CN(Cc1ccc(F)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064507759 472859405 /nfs/dbraw/zinc/85/94/05/472859405.db2.gz SLMCGDHHCDZZCG-UHFFFAOYSA-N 1 0 345.462 2.533 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3occc3C)cc2)CC1 ZINC000048345148 472861765 /nfs/dbraw/zinc/86/17/65/472861765.db2.gz PTEKNLLBTHFPRF-UHFFFAOYSA-N 1 0 341.455 2.656 40 0 EFABRO O=C1N(c2cncnc2)CCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000107191319 472932888 /nfs/dbraw/zinc/93/28/88/472932888.db2.gz OZYMILLSLJDRTP-UHFFFAOYSA-N 1 0 340.402 2.635 40 0 EFABRO CCCc1nnc([C@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)o1 ZINC000049170346 472933994 /nfs/dbraw/zinc/93/39/94/472933994.db2.gz RDQOSXJMXBUNOJ-HNNXBMFYSA-N 1 0 328.416 2.970 40 0 biogenic,in-vitro EFABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)CC1 ZINC000049170555 472934556 /nfs/dbraw/zinc/93/45/56/472934556.db2.gz ZDJGEUQJYIWLTI-ZDUSSCGKSA-N 1 0 330.407 2.759 40 0 biogenic,in-vitro EFABRO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000074064502 472935178 /nfs/dbraw/zinc/93/51/78/472935178.db2.gz BIYFEYDDTSUFLM-CVEARBPZSA-N 1 0 340.471 2.897 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccs2)C3)nc1 ZINC000107228693 472935354 /nfs/dbraw/zinc/93/53/54/472935354.db2.gz BIYGMVOIBRKRIP-RHSMWYFYSA-N 1 0 348.447 2.913 40 0 EFABRO CC[C@@H](CNC(=O)C1CC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000121909637 472943067 /nfs/dbraw/zinc/94/30/67/472943067.db2.gz FJQROOVRXKYNEN-ZDUSSCGKSA-N 1 0 344.377 2.979 40 0 EFABRO COCCN(C)c1nc(C2CC[NH2+]CC2)cc2c1ncn2C(C)C ZINC000107491713 472958349 /nfs/dbraw/zinc/95/83/49/472958349.db2.gz AOBCBMQYJAGVEJ-UHFFFAOYSA-N 1 0 331.464 2.562 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cn1 ZINC000107712123 472976913 /nfs/dbraw/zinc/97/69/13/472976913.db2.gz ADQWHPHVUMRGFK-UXHICEINSA-N 1 0 347.503 2.998 40 0 EFABRO O=C(Cc1cccs1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC000107709546 472977990 /nfs/dbraw/zinc/97/79/90/472977990.db2.gz RGBWDKHDGVTFEF-SJORKVTESA-N 1 0 327.453 2.561 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730808 472978690 /nfs/dbraw/zinc/97/86/90/472978690.db2.gz GYXAQIDRUQQLRO-PBHICJAKSA-N 1 0 330.457 2.774 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107787677 472983045 /nfs/dbraw/zinc/98/30/45/472983045.db2.gz NXQJJXWQEMDRAY-PBHICJAKSA-N 1 0 330.457 2.774 40 0 EFABRO Cc1cccc(C)c1C[N@@H+]1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 ZINC000108525037 473034018 /nfs/dbraw/zinc/03/40/18/473034018.db2.gz NWEVBGCZPPXXEA-UHFFFAOYSA-N 1 0 348.512 2.740 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108527582 473035392 /nfs/dbraw/zinc/03/53/92/473035392.db2.gz WWUUJCWGUKIEBL-CRAIPNDOSA-N 1 0 349.500 2.998 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532084 473035473 /nfs/dbraw/zinc/03/54/73/473035473.db2.gz LOQWFVZBCMTYCW-CRAIPNDOSA-N 1 0 349.425 2.860 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2)N1CCCCO1 ZINC000108532747 473035733 /nfs/dbraw/zinc/03/57/33/473035733.db2.gz BHMXYDYNSYLRLL-IEBWSBKVSA-N 1 0 329.444 2.628 40 0 EFABRO COCCN1CC2(CC1=O)CC[NH+](Cc1cc(C)ccc1F)CC2 ZINC000108531827 473035915 /nfs/dbraw/zinc/03/59/15/473035915.db2.gz DMPUKLIFTGXNOJ-UHFFFAOYSA-N 1 0 334.435 2.595 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108536437 473037235 /nfs/dbraw/zinc/03/72/35/473037235.db2.gz WWUUJCWGUKIEBL-MAUKXSAKSA-N 1 0 349.500 2.998 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108536445 473037646 /nfs/dbraw/zinc/03/76/46/473037646.db2.gz WWUUJCWGUKIEBL-QAPCUYQASA-N 1 0 349.500 2.998 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108534808 473037814 /nfs/dbraw/zinc/03/78/14/473037814.db2.gz DMIYSAKEXNHGTC-MAUKXSAKSA-N 1 0 333.501 2.970 40 0 EFABRO Cc1cccc(NC[C@H]2CCN(c3ncc(Br)cn3)C2)[nH+]1 ZINC000109129305 473081619 /nfs/dbraw/zinc/08/16/19/473081619.db2.gz FSZRRTUASOVNQW-GFCCVEGCSA-N 1 0 348.248 2.881 40 0 EFABRO C[NH+]1CCC(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000074920958 473094879 /nfs/dbraw/zinc/09/48/79/473094879.db2.gz NUHKVAWKEVWHCJ-UHFFFAOYSA-N 1 0 335.879 2.721 40 0 EFABRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 ZINC000074944761 473102923 /nfs/dbraw/zinc/10/29/23/473102923.db2.gz SHJNFZOJCJWTHF-LLVKDONJSA-N 1 0 345.365 2.663 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)C2=COCCO2)CCCC1)c1ccccc1 ZINC000109696450 473113728 /nfs/dbraw/zinc/11/37/28/473113728.db2.gz MYEBNDODAGPNOY-HNNXBMFYSA-N 1 0 330.428 2.654 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)C2=COCCO2)CCCC1)c1ccccc1 ZINC000109696454 473114096 /nfs/dbraw/zinc/11/40/96/473114096.db2.gz MYEBNDODAGPNOY-OAHLLOKOSA-N 1 0 330.428 2.654 40 0 EFABRO CC[C@@H](C(=O)N1CCC[N@H+](CCn2cccn2)CC1)c1ccccc1 ZINC000075162618 473142798 /nfs/dbraw/zinc/14/27/98/473142798.db2.gz LSLWXCROHMOCIX-LJQANCHMSA-N 1 0 340.471 2.611 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1 ZINC000110597955 473164874 /nfs/dbraw/zinc/16/48/74/473164874.db2.gz VRAUXVFFZSRMEU-KBXCAEBGSA-N 1 0 327.403 2.861 40 0 EFABRO Cn1cc(C[NH2+]Cc2cccc(C(N)=O)c2)c(-c2cccs2)n1 ZINC000093947048 473165579 /nfs/dbraw/zinc/16/55/79/473165579.db2.gz AOUWRWSGTNIEED-UHFFFAOYSA-N 1 0 326.425 2.537 40 0 EFABRO CC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000110704660 473172302 /nfs/dbraw/zinc/17/23/02/473172302.db2.gz IIEFULJFXVXEPX-MSOLQXFVSA-N 1 0 335.879 2.686 40 0 EFABRO NC(=O)[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC000096415085 473394170 /nfs/dbraw/zinc/39/41/70/473394170.db2.gz PTMPWFUFZNOIMA-SFHVURJKSA-N 1 0 327.403 2.611 40 0 EFABRO COc1ccc(OC)c2c1C[N@H+](CCc1scnc1C)C[C@@H]2O ZINC000096414822 473394646 /nfs/dbraw/zinc/39/46/46/473394646.db2.gz AHTUNKJKMIGCAZ-ZDUSSCGKSA-N 1 0 334.441 2.560 40 0 EFABRO CCOC(=O)CCCC[N@@H+]1CCCN(c2nc(C)cs2)CC1 ZINC000096417408 473397428 /nfs/dbraw/zinc/39/74/28/473397428.db2.gz LMVSRQWVILNBBJ-UHFFFAOYSA-N 1 0 325.478 2.697 40 0 EFABRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCc1cccc(F)c1 ZINC000096418504 473397840 /nfs/dbraw/zinc/39/78/40/473397840.db2.gz OXRSLDBSALDOOB-UHFFFAOYSA-N 1 0 343.402 2.558 40 0 EFABRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419717 473397976 /nfs/dbraw/zinc/39/79/76/473397976.db2.gz PFWALTLLWHESNK-HZPDHXFCSA-N 1 0 348.491 2.645 40 0 EFABRO Cc1cccnc1[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C(C)C ZINC000096424414 473402691 /nfs/dbraw/zinc/40/26/91/473402691.db2.gz ABJNBSPONLIWRQ-OLZOCXBDSA-N 1 0 329.366 2.840 40 0 EFABRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426855 473406091 /nfs/dbraw/zinc/40/60/91/473406091.db2.gz HRZRBEIPJPMQGE-OALUTQOASA-N 1 0 330.472 2.926 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000096427144 473406137 /nfs/dbraw/zinc/40/61/37/473406137.db2.gz IQMQUXRRXOBYKJ-IBGZPJMESA-N 1 0 344.503 2.553 40 0 EFABRO O=S(=O)(/C=C/c1ccccc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000096427699 473407085 /nfs/dbraw/zinc/40/70/85/473407085.db2.gz NATFHJZQAOHGAK-FROQITRMSA-N 1 0 340.876 2.714 40 0 EFABRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc4cc[nH]c43)CC2)c1 ZINC000096430911 473409038 /nfs/dbraw/zinc/40/90/38/473409038.db2.gz UAOGEYIUVVMPJH-UHFFFAOYSA-N 1 0 336.395 2.534 40 0 EFABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nncs2)[C@@H]1c1cccs1 ZINC000096433596 473413121 /nfs/dbraw/zinc/41/31/21/473413121.db2.gz NJAUXFJJLLIZJE-CMPLNLGQSA-N 1 0 337.474 2.804 40 0 EFABRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000096435685 473414880 /nfs/dbraw/zinc/41/48/80/473414880.db2.gz ORZQFRXIYUAZHA-ZAOIQFLMSA-N 1 0 341.499 2.718 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000096436663 473416219 /nfs/dbraw/zinc/41/62/19/473416219.db2.gz AEUYFSJWEHSCDP-QGZVFWFLSA-N 1 0 334.464 2.799 40 0 EFABRO Cc1cccc(OCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000096437496 473418131 /nfs/dbraw/zinc/41/81/31/473418131.db2.gz WOVDREMGHKDONV-ALOPSCKCSA-N 1 0 331.460 2.688 40 0 EFABRO C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000096440437 473418776 /nfs/dbraw/zinc/41/87/76/473418776.db2.gz FHQLWACCBOVRQM-CVEARBPZSA-N 1 0 337.508 2.755 40 0 EFABRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000096441677 473419780 /nfs/dbraw/zinc/41/97/80/473419780.db2.gz XZYATIYBAAKDJK-HUUCEWRRSA-N 1 0 344.377 2.514 40 0 EFABRO COCCOC1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000096441438 473419947 /nfs/dbraw/zinc/41/99/47/473419947.db2.gz KTSAYIYUOMAVEF-IBGZPJMESA-N 1 0 346.471 2.618 40 0 EFABRO Cc1ccc(CC[N@@H+](Cc2cc(=O)c(O)co2)C[C@@H]2CCCO2)cc1 ZINC000096441664 473419992 /nfs/dbraw/zinc/41/99/92/473419992.db2.gz NVMSKSPHUGTPJS-KRWDZBQOSA-N 1 0 343.423 2.878 40 0 EFABRO CSC[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000096441317 473420391 /nfs/dbraw/zinc/42/03/91/473420391.db2.gz RCIDZIOFVMDWRS-AWEZNQCLSA-N 1 0 336.501 2.623 40 0 EFABRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000096443734 473421455 /nfs/dbraw/zinc/42/14/55/473421455.db2.gz YOQGCUDBPSKPPK-MRXNPFEDSA-N 1 0 344.459 2.592 40 0 EFABRO CCS[C@@H]1CCCCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000096447212 473424557 /nfs/dbraw/zinc/42/45/57/473424557.db2.gz TXQPBMZOMUXCSG-OAHLLOKOSA-N 1 0 339.509 2.584 40 0 EFABRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000096453070 473428532 /nfs/dbraw/zinc/42/85/32/473428532.db2.gz HOTXXKVAQKQVJX-OAHLLOKOSA-N 1 0 342.443 2.825 40 0 EFABRO CCS[C@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000096452313 473428817 /nfs/dbraw/zinc/42/88/17/473428817.db2.gz GBQFUICDPAJRPJ-HOCLYGCPSA-N 1 0 325.522 2.977 40 0 EFABRO CN(C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000096452099 473429043 /nfs/dbraw/zinc/42/90/43/473429043.db2.gz IGIHMBMIGJSZIN-MRXNPFEDSA-N 1 0 339.443 2.515 40 0 EFABRO CC[C@@H](CNC(=O)NC1CC[NH+](C)CC1)Oc1ccccc1Cl ZINC000096452301 473429069 /nfs/dbraw/zinc/42/90/69/473429069.db2.gz ZSIIMVLHKYUNDS-AWEZNQCLSA-N 1 0 339.867 2.891 40 0 EFABRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000096461087 473433127 /nfs/dbraw/zinc/43/31/27/473433127.db2.gz KXNNOKBQXNUZBE-CQSZACIVSA-N 1 0 336.457 2.785 40 0 EFABRO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)O2 ZINC000096466719 473434419 /nfs/dbraw/zinc/43/44/19/473434419.db2.gz ZINRTCHDNVDFGC-INIZCTEOSA-N 1 0 325.412 2.611 40 0 EFABRO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)O2 ZINC000096466720 473435012 /nfs/dbraw/zinc/43/50/12/473435012.db2.gz ZINRTCHDNVDFGC-MRXNPFEDSA-N 1 0 325.412 2.611 40 0 EFABRO O=C([C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)N1CCCCCC1 ZINC000096468505 473436194 /nfs/dbraw/zinc/43/61/94/473436194.db2.gz OQFVNRCYCYWROJ-KRWDZBQOSA-N 1 0 340.471 2.949 40 0 EFABRO CC(C)CO[C@@H](C)c1noc(CN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000096473705 473437205 /nfs/dbraw/zinc/43/72/05/473437205.db2.gz XVAZSEZAKHKBBB-HNNXBMFYSA-N 1 0 345.447 2.520 40 0 EFABRO C[NH+]1CCN(c2ccc(NCc3csc(C4CC4)n3)cn2)CC1 ZINC000096476202 473439603 /nfs/dbraw/zinc/43/96/03/473439603.db2.gz RZGWZGNAXJZILG-UHFFFAOYSA-N 1 0 329.473 2.779 40 0 EFABRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000096479294 473441474 /nfs/dbraw/zinc/44/14/74/473441474.db2.gz UACXPIDYKPNTLN-IUODEOHRSA-N 1 0 328.503 2.994 40 0 EFABRO O=C1[C@H]([NH2+]CCn2cccn2)CCN1c1ccc(Cl)cc1Cl ZINC000190965750 473443282 /nfs/dbraw/zinc/44/32/82/473443282.db2.gz AQULBYQJXFZHRP-CYBMUJFWSA-N 1 0 339.226 2.585 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2n1 ZINC000096486661 473444646 /nfs/dbraw/zinc/44/46/46/473444646.db2.gz UEZXKOOTGCJAOX-YOEHRIQHSA-N 1 0 348.454 2.930 40 0 EFABRO Cc1ncccc1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000096489757 473446448 /nfs/dbraw/zinc/44/64/48/473446448.db2.gz CJPWAMDPVVSSRW-UHFFFAOYSA-N 1 0 327.403 2.924 40 0 EFABRO O=C(CSC(F)(F)F)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000096492486 473448076 /nfs/dbraw/zinc/44/80/76/473448076.db2.gz NPMCBMNUIJTMPS-UHFFFAOYSA-N 1 0 348.390 2.835 40 0 EFABRO CC1(C)[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)[C@H]2CCO[C@@H]21 ZINC000096493461 473449049 /nfs/dbraw/zinc/44/90/49/473449049.db2.gz MESKWGARZPHVJP-MKXGPGLRSA-N 1 0 342.483 2.623 40 0 EFABRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493056 473449264 /nfs/dbraw/zinc/44/92/64/473449264.db2.gz FGSWXICBKPVXMT-JVPBZIDWSA-N 1 0 330.472 2.517 40 0 EFABRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000096494388 473450062 /nfs/dbraw/zinc/45/00/62/473450062.db2.gz ZMUNPWGFZVOMBD-IBGZPJMESA-N 1 0 348.450 2.886 40 0 EFABRO Cc1ncc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)n1-c1ccccc1 ZINC000096494400 473450515 /nfs/dbraw/zinc/45/05/15/473450515.db2.gz UIPJHGBMMDPZDZ-QGZVFWFLSA-N 1 0 333.439 2.944 40 0 EFABRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000096495630 473450773 /nfs/dbraw/zinc/45/07/73/473450773.db2.gz WMLKZBPYNRHQGQ-MQIPJXDCSA-N 1 0 340.826 2.677 40 0 EFABRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000096500978 473453248 /nfs/dbraw/zinc/45/32/48/473453248.db2.gz SDGRACYZYRQCRE-LJQANCHMSA-N 1 0 330.472 2.840 40 0 EFABRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000096503121 473455658 /nfs/dbraw/zinc/45/56/58/473455658.db2.gz SGEJTEPXQJUNIM-BXWFABGCSA-N 1 0 338.455 2.962 40 0 EFABRO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)C1(N2CCOCC2)CCCC1 ZINC000125930221 473472414 /nfs/dbraw/zinc/47/24/14/473472414.db2.gz XBCBTHMRFMBSFR-OAHLLOKOSA-N 1 0 348.491 2.850 40 0 EFABRO O=C(Nc1cccc(COCCOc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000151620164 473478712 /nfs/dbraw/zinc/47/87/12/473478712.db2.gz ZCZYTEQQDGEFKA-KRWDZBQOSA-N 1 0 340.423 2.830 40 0 EFABRO C[N@@H+]1CC[C@@H](CSc2ncnc3c2cnn3Cc2ccccc2)C1 ZINC000191204101 473506396 /nfs/dbraw/zinc/50/63/96/473506396.db2.gz VWDKEQQXMQNFKU-OAHLLOKOSA-N 1 0 339.468 2.918 40 0 EFABRO CC(C)n1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cn1 ZINC000179749543 473718217 /nfs/dbraw/zinc/71/82/17/473718217.db2.gz ACDGOKBYHFRILC-UHFFFAOYSA-N 1 0 340.471 2.992 40 0 EFABRO COc1cc[nH+]c(N2CCN(C(=O)NCC(C)(C)C(C)C)CC2)c1 ZINC000186875128 473773811 /nfs/dbraw/zinc/77/38/11/473773811.db2.gz SIVIPWGXWCZLCU-UHFFFAOYSA-N 1 0 334.464 2.604 40 0 EFABRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000194448370 473899549 /nfs/dbraw/zinc/89/95/49/473899549.db2.gz COWPMABXBYXKIK-QRVBRYPASA-N 1 0 327.472 2.950 40 0 EFABRO Cc1c(Cl)cccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000194599896 473924448 /nfs/dbraw/zinc/92/44/48/473924448.db2.gz RFOMSWGEXLJXRY-HNNXBMFYSA-N 1 0 336.863 2.833 40 0 EFABRO Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000188173814 474008606 /nfs/dbraw/zinc/00/86/06/474008606.db2.gz BOIQWBIZGYDEAI-LJQANCHMSA-N 1 0 344.480 2.766 40 0 EFABRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccccc1-c1ccncc1 ZINC000188178893 474009455 /nfs/dbraw/zinc/00/94/55/474009455.db2.gz FGKAOYOWPFUZIQ-UHFFFAOYSA-N 1 0 340.427 2.592 40 0 EFABRO CC(C)n1ccnc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195274314 474045448 /nfs/dbraw/zinc/04/54/48/474045448.db2.gz YIVZZEJXWDTJSK-SFHVURJKSA-N 1 0 327.476 2.813 40 0 EFABRO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000195530708 474090524 /nfs/dbraw/zinc/09/05/24/474090524.db2.gz CDLCUTRHILIPMR-UYAOXDASSA-N 1 0 343.515 2.602 40 0 EFABRO CCc1ccc([C@H](NC(=O)[C@H]2C[NH2+]CCO2)c2cccs2)cc1 ZINC000195543092 474091139 /nfs/dbraw/zinc/09/11/39/474091139.db2.gz PQNRMGBCQITENJ-WBVHZDCISA-N 1 0 330.453 2.505 40 0 EFABRO CC(C)(NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(F)cc1Cl ZINC000195543520 474091332 /nfs/dbraw/zinc/09/13/32/474091332.db2.gz ODZXYNQPPACMJG-GFCCVEGCSA-N 1 0 328.815 2.599 40 0 EFABRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000195542888 474091845 /nfs/dbraw/zinc/09/18/45/474091845.db2.gz WOJRBXLIULZFAT-SNVBAGLBSA-N 1 0 329.213 2.708 40 0 EFABRO Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(SC(F)(F)F)c1 ZINC000195543367 474091927 /nfs/dbraw/zinc/09/19/27/474091927.db2.gz YAMQGMSEWSYAHP-SNVBAGLBSA-N 1 0 334.363 2.924 40 0 EFABRO CSc1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1F ZINC000195543622 474092046 /nfs/dbraw/zinc/09/20/46/474092046.db2.gz WEUYUXAOJPCNQD-UHFFFAOYSA-N 1 0 349.435 2.624 40 0 EFABRO C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000195537304 474092179 /nfs/dbraw/zinc/09/21/79/474092179.db2.gz OORQTFXGOOOKQX-NUJGCVRESA-N 1 0 346.471 2.558 40 0 EFABRO CO[C@H](C)c1nc(CN(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)cs1 ZINC000195543849 474093152 /nfs/dbraw/zinc/09/31/52/474093152.db2.gz ZQBAVIZWCSHDIT-MLGOLLRUSA-N 1 0 345.468 2.696 40 0 EFABRO O=C(Nc1ccc(C[NH+]2CCSCC2)cc1)[C@@H](O)c1ccccc1 ZINC000195547518 474093198 /nfs/dbraw/zinc/09/31/98/474093198.db2.gz SLNPEJXNYPNKCQ-SFHVURJKSA-N 1 0 342.464 2.908 40 0 EFABRO OC[C@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557680 474093985 /nfs/dbraw/zinc/09/39/85/474093985.db2.gz VBHFUSNAXDMQBH-KSSFIOAISA-N 1 0 330.403 2.875 40 0 EFABRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073894 474094112 /nfs/dbraw/zinc/09/41/12/474094112.db2.gz XKTKINUAEFXICG-ZUZCIYMTSA-N 1 0 340.217 2.997 40 0 EFABRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(Cl)c1 ZINC000188435508 474094154 /nfs/dbraw/zinc/09/41/54/474094154.db2.gz UXOOJIHZEKXGIU-ZIAGYGMSSA-N 1 0 342.892 2.899 40 0 EFABRO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000195551361 474094249 /nfs/dbraw/zinc/09/42/49/474094249.db2.gz WALCMFACALWSTD-HNNXBMFYSA-N 1 0 349.479 2.522 40 0 EFABRO CC1(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000195561819 474095492 /nfs/dbraw/zinc/09/54/92/474095492.db2.gz HEPLIGXFPHCCQK-KRWDZBQOSA-N 1 0 345.487 2.613 40 0 EFABRO CC1(CNc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000195561818 474095945 /nfs/dbraw/zinc/09/59/45/474095945.db2.gz HEPLIGXFPHCCQK-QGZVFWFLSA-N 1 0 345.487 2.613 40 0 EFABRO Cc1cc(Cl)c([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557740 474095976 /nfs/dbraw/zinc/09/59/76/474095976.db2.gz NGVMIYHETPZGRM-ZIAGYGMSSA-N 1 0 344.908 2.889 40 0 EFABRO Cn1cc([C@](C)(O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cn1 ZINC000195560707 474096076 /nfs/dbraw/zinc/09/60/76/474096076.db2.gz DAFVQUIEGGMXLE-RTBURBONSA-N 1 0 340.402 2.541 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(F)(F)F ZINC000195564821 474097323 /nfs/dbraw/zinc/09/73/23/474097323.db2.gz NMDYBXOFIGTFMM-OCCSQVGLSA-N 1 0 329.366 2.759 40 0 EFABRO C[NH2+]Cc1ccc([C@H]2CC3=C4C(=CC(=O)NC[C@@H]4C2)C(F)=N3)cc1 ZINC000214087227 474136541 /nfs/dbraw/zinc/13/65/41/474136541.db2.gz CCIDINVPNOADML-KGLIPLIRSA-N 1 0 325.387 2.592 40 0 EFABRO CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222727981 474172278 /nfs/dbraw/zinc/17/22/78/474172278.db2.gz FFZLJAYGOGLDAP-IRXDYDNUSA-N 1 0 335.436 2.870 40 0 EFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 ZINC000223252741 474182177 /nfs/dbraw/zinc/18/21/77/474182177.db2.gz QJDOVPACXUQICN-LSDHHAIUSA-N 1 0 332.498 2.677 40 0 EFABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)[nH]1 ZINC000223248500 474182325 /nfs/dbraw/zinc/18/23/25/474182325.db2.gz XRFMPGHEMIAVOY-IAGOWNOFSA-N 1 0 343.500 2.642 40 0 EFABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)[nH]1 ZINC000223255447 474182882 /nfs/dbraw/zinc/18/28/82/474182882.db2.gz AHCFLZCPLSPMNI-DLBZAZTESA-N 1 0 343.500 2.561 40 0 EFABRO CN1C(=O)c2ccccc2[C@H](O)[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000247722819 474204117 /nfs/dbraw/zinc/20/41/17/474204117.db2.gz CDVBKHQCSLCOAU-DYXWJJEUSA-N 1 0 336.435 2.696 40 0 EFABRO Cc1ccccc1NC(=S)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225214505 474204433 /nfs/dbraw/zinc/20/44/33/474204433.db2.gz ROWGOHBTLMRESL-UHFFFAOYSA-N 1 0 333.501 2.925 40 0 EFABRO CCOC1(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CCCC1 ZINC000225453424 474213514 /nfs/dbraw/zinc/21/35/14/474213514.db2.gz FSYLSRUPURFYRI-UHFFFAOYSA-N 1 0 345.487 2.554 40 0 EFABRO CCOC1(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CCCC1 ZINC000225462054 474215429 /nfs/dbraw/zinc/21/54/29/474215429.db2.gz BEDXNDXBMLMQLN-UHFFFAOYSA-N 1 0 347.459 2.842 40 0 EFABRO Nc1ncnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000225485020 474217013 /nfs/dbraw/zinc/21/70/13/474217013.db2.gz MZDXINJCRDLCEH-QMMMGPOBSA-N 1 0 346.744 2.769 40 0 EFABRO COC(=O)C[C@@]1([NH2+]Cc2ccc3nc(C)ccc3c2)CCCOC1 ZINC000225481840 474217086 /nfs/dbraw/zinc/21/70/86/474217086.db2.gz SEWQXVYHHMTKKF-IBGZPJMESA-N 1 0 328.412 2.745 40 0 EFABRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000225489232 474218122 /nfs/dbraw/zinc/21/81/22/474218122.db2.gz QKNPOPWZXLKKGV-APWZRJJASA-N 1 0 342.414 2.604 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)n1 ZINC000247886445 474221984 /nfs/dbraw/zinc/22/19/84/474221984.db2.gz SVYFEFFWIBHZCO-PMACEKPBSA-N 1 0 338.455 2.655 40 0 EFABRO O=C(NCc1cccs1)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225576576 474226338 /nfs/dbraw/zinc/22/63/38/474226338.db2.gz UQWDYYXKVZNIIO-AWEZNQCLSA-N 1 0 339.530 2.765 40 0 EFABRO c1ccc2c(c1)OC[C@H](C[NH2+][C@H](c1cccnc1)C1CCOCC1)O2 ZINC000225573041 474226595 /nfs/dbraw/zinc/22/65/95/474226595.db2.gz JKYUMTOANXVWKX-PXNSSMCTSA-N 1 0 340.423 2.979 40 0 EFABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC000247959367 474233500 /nfs/dbraw/zinc/23/35/00/474233500.db2.gz UXNDEHDRRIRVTP-CJNGLKHVSA-N 1 0 332.444 2.634 40 0 EFABRO COc1ccc(N(C)c2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228923650 474250783 /nfs/dbraw/zinc/25/07/83/474250783.db2.gz XIPCTNXAKJBREO-UHFFFAOYSA-N 1 0 338.415 2.527 40 0 EFABRO Cc1ccccc1CCC(=O)N1Cc2cncn2[C@H](CC[NH+](C)C)C1 ZINC000248077746 474256604 /nfs/dbraw/zinc/25/66/04/474256604.db2.gz BZHALDLNONAGMB-GOSISDBHSA-N 1 0 340.471 2.659 40 0 EFABRO Cc1cnc(CC[N@H+](C)CCC(=O)N2CCc3ccccc3C2)s1 ZINC000189134500 474302347 /nfs/dbraw/zinc/30/23/47/474302347.db2.gz DJVWRGOKTHDVMK-UHFFFAOYSA-N 1 0 343.496 2.901 40 0 EFABRO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221883 474343464 /nfs/dbraw/zinc/34/34/64/474343464.db2.gz SVGWSHQWTWDSEB-APWZRJJASA-N 1 0 340.471 2.970 40 0 EFABRO COc1ccc(CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000237250508 474367054 /nfs/dbraw/zinc/36/70/54/474367054.db2.gz BHESXRKTUFEFFC-LQDVMPOASA-N 1 0 336.863 2.928 40 0 EFABRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248716853 474411873 /nfs/dbraw/zinc/41/18/73/474411873.db2.gz KXUMOMBMMWATLD-YXCITZCRSA-N 1 0 340.265 2.581 40 0 EFABRO FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]Cc3cncnc3)C2)c1 ZINC000241160537 474553280 /nfs/dbraw/zinc/55/32/80/474553280.db2.gz JYBDQDBYWYBWEG-CYBMUJFWSA-N 1 0 338.333 2.744 40 0 EFABRO Cc1ccc2ncc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3=O)n2c1 ZINC000241470680 474555953 /nfs/dbraw/zinc/55/59/53/474555953.db2.gz NWZQNPJQFYPGCY-GOSISDBHSA-N 1 0 334.423 2.533 40 0 EFABRO Cc1csc(N2CCC([NH2+]C[C@@](C)(O)c3ccc(C)o3)CC2)n1 ZINC000241719801 474557037 /nfs/dbraw/zinc/55/70/37/474557037.db2.gz QPSKXRBYVMVPRO-QGZVFWFLSA-N 1 0 335.473 2.819 40 0 EFABRO [NH3+]C[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242574892 474559579 /nfs/dbraw/zinc/55/95/79/474559579.db2.gz NIEWYMNUGXVWDQ-PMPSAXMXSA-N 1 0 339.819 2.994 40 0 EFABRO COc1ccccc1[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245289940 474573483 /nfs/dbraw/zinc/57/34/83/474573483.db2.gz GFQUEAKWQYVZPD-FRFSOERESA-N 1 0 325.474 2.744 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000245338923 474574215 /nfs/dbraw/zinc/57/42/15/474574215.db2.gz PIMFJUUTLNVARC-AEEMCCEDSA-N 1 0 344.499 2.679 40 0 EFABRO COc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000245339417 474574300 /nfs/dbraw/zinc/57/43/00/474574300.db2.gz SOOXHWNJAZNHBM-XIRDDKMYSA-N 1 0 329.444 2.952 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F ZINC000249507337 474582173 /nfs/dbraw/zinc/58/21/73/474582173.db2.gz YTHGPEYGYJCQAC-HOCLYGCPSA-N 1 0 330.394 2.896 40 0 EFABRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000249527669 474587367 /nfs/dbraw/zinc/58/73/67/474587367.db2.gz ZBQUWXVVDYQYBW-OWCLPIDISA-N 1 0 336.505 2.569 40 0 EFABRO COc1ccccc1C[C@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252477384 474662954 /nfs/dbraw/zinc/66/29/54/474662954.db2.gz MUVPLEBOSVLKNC-WMZOPIPTSA-N 1 0 330.472 2.961 40 0 EFABRO CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252484700 474668986 /nfs/dbraw/zinc/66/89/86/474668986.db2.gz GEYZLWLMUAZWTP-ZWKOTPCHSA-N 1 0 345.487 2.908 40 0 EFABRO CCN(C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1)CC(F)(F)F ZINC000252486719 474672501 /nfs/dbraw/zinc/67/25/01/474672501.db2.gz MLRGYOLSODOXHV-RRQGHBQHSA-N 1 0 342.405 2.851 40 0 EFABRO COc1ccc(C(=O)N2CCC[N@H+](CCSC(C)C)CC2)cc1 ZINC000252503478 474683323 /nfs/dbraw/zinc/68/33/23/474683323.db2.gz VDCPDAOROZBWDF-UHFFFAOYSA-N 1 0 336.501 2.985 40 0 EFABRO C[C@@H](CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000252508247 474685087 /nfs/dbraw/zinc/68/50/87/474685087.db2.gz XIALTOZRSMBYTB-KRWDZBQOSA-N 1 0 346.519 2.505 40 0 EFABRO C[N@H+](CCCCC1CCOCC1)C1CCN(c2cnccn2)CC1 ZINC000252509059 474687252 /nfs/dbraw/zinc/68/72/52/474687252.db2.gz YBTXBVCNYLSRRC-UHFFFAOYSA-N 1 0 332.492 2.974 40 0 EFABRO CCCc1nnc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000252516726 474691232 /nfs/dbraw/zinc/69/12/32/474691232.db2.gz WCHLFBAYCSVPQD-UONOGXRCSA-N 1 0 330.457 2.775 40 0 EFABRO C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCOC[C@H]1C ZINC000252586085 474699946 /nfs/dbraw/zinc/69/99/46/474699946.db2.gz NJJJICSXICCCBT-HLIPFELVSA-N 1 0 325.456 2.870 40 0 EFABRO C[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CCOC[C@H]1C ZINC000252586086 474700007 /nfs/dbraw/zinc/70/00/07/474700007.db2.gz NJJJICSXICCCBT-MBOZVWFJSA-N 1 0 325.456 2.870 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000253370275 474727637 /nfs/dbraw/zinc/72/76/37/474727637.db2.gz ONXYHBVYGPYILE-GVDBMIGSSA-N 1 0 336.476 2.791 40 0 EFABRO Cc1csc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)n1 ZINC000253370173 474728528 /nfs/dbraw/zinc/72/85/28/474728528.db2.gz NGXXIEKAGZTNRK-ARFHVFGLSA-N 1 0 333.501 2.968 40 0 EFABRO CCN1CC[C@@H]([NH2+]CC(OC)OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253393096 474733366 /nfs/dbraw/zinc/73/33/66/474733366.db2.gz RJRIQPRBSIDRCB-GDBMZVCRSA-N 1 0 330.831 2.823 40 0 EFABRO Cc1cc(N2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000253398545 474737162 /nfs/dbraw/zinc/73/71/62/474737162.db2.gz HGXOAWDNZKSWDM-UHFFFAOYSA-N 1 0 345.468 2.585 40 0 EFABRO COCC1(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCC1 ZINC000253415346 474741631 /nfs/dbraw/zinc/74/16/31/474741631.db2.gz HWJRWSCVGBAMTA-UHFFFAOYSA-N 1 0 346.471 2.546 40 0 EFABRO Cc1n[nH]cc1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418725 474744190 /nfs/dbraw/zinc/74/41/90/474744190.db2.gz NFPXDKKIGMYRHH-ZDUSSCGKSA-N 1 0 340.349 2.985 40 0 EFABRO CSc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000253418380 474745044 /nfs/dbraw/zinc/74/50/44/474745044.db2.gz QEJUYKWQNZETNN-KBPBESRZSA-N 1 0 337.489 2.636 40 0 EFABRO Cc1nc2c(cccc2C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000253421131 474748332 /nfs/dbraw/zinc/74/83/32/474748332.db2.gz QTYRRXGJVWCGSA-IAGOWNOFSA-N 1 0 335.407 2.964 40 0 EFABRO CC(C)(C)c1cnc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000253425487 474751691 /nfs/dbraw/zinc/75/16/91/474751691.db2.gz CYWUOCPGXATBLM-ZDUSSCGKSA-N 1 0 331.489 2.989 40 0 EFABRO CO[C@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000253433293 474757846 /nfs/dbraw/zinc/75/78/46/474757846.db2.gz VGQJGNGGPDYWGW-QGZVFWFLSA-N 1 0 346.406 2.826 40 0 EFABRO c1cc2n(n1)C[C@@H](CC[NH+]1CCCCC1)C[N@@H+](CC1CCOCC1)C2 ZINC000253477374 474761805 /nfs/dbraw/zinc/76/18/05/474761805.db2.gz FKJGJVJHNLEPLC-IBGZPJMESA-N 1 0 346.519 2.618 40 0 EFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3c[nH]c4ccccc43)C2)C1 ZINC000306125501 474806625 /nfs/dbraw/zinc/80/66/25/474806625.db2.gz CSPNPCJDGLHZPI-HNNXBMFYSA-N 1 0 341.455 2.741 40 0 EFABRO CC[C@@H](C)C[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccco3)n12 ZINC000306128927 474807295 /nfs/dbraw/zinc/80/72/95/474807295.db2.gz HOMAUCPGNWBLJN-OAHLLOKOSA-N 1 0 343.475 2.821 40 0 EFABRO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](CC4CC4)C[C@@H]32)cs1 ZINC000306132909 474810335 /nfs/dbraw/zinc/81/03/35/474810335.db2.gz LVWYOHUSXZWGLP-IRXDYDNUSA-N 1 0 342.468 2.544 40 0 EFABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1CC1CC1 ZINC000306140035 474811761 /nfs/dbraw/zinc/81/17/61/474811761.db2.gz UHVYQMBEKMMEIJ-IRXDYDNUSA-N 1 0 327.453 2.841 40 0 EFABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1CC1CC1 ZINC000306140036 474811846 /nfs/dbraw/zinc/81/18/46/474811846.db2.gz UHVYQMBEKMMEIJ-SJORKVTESA-N 1 0 327.453 2.841 40 0 EFABRO CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257201297 474924833 /nfs/dbraw/zinc/92/48/33/474924833.db2.gz AHBKSPDCIBSMKT-BZUAXINKSA-N 1 0 344.446 2.648 40 0 EFABRO CO[C@H]1CN(CC(=O)Nc2c(C)cccc2C)CC[C@]12CCCO2 ZINC000257199637 474925283 /nfs/dbraw/zinc/92/52/83/474925283.db2.gz AAFFKFMFWXOFOT-QFBILLFUSA-N 1 0 332.444 2.512 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)[nH+]1 ZINC000257237544 474927402 /nfs/dbraw/zinc/92/74/02/474927402.db2.gz HHAAIVZSMGPCBI-SFHVURJKSA-N 1 0 336.395 2.667 40 0 EFABRO c1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000257279421 474928114 /nfs/dbraw/zinc/92/81/14/474928114.db2.gz OGMYOCNSJGTGNH-UHFFFAOYSA-N 1 0 334.427 2.716 40 0 EFABRO Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)cc3c[nH+]cn32)cn1 ZINC000257244898 474928215 /nfs/dbraw/zinc/92/82/15/474928215.db2.gz INHBTTDLYROQSX-INIZCTEOSA-N 1 0 336.399 2.504 40 0 EFABRO Cn1ccnc1-c1cncc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257284573 474932118 /nfs/dbraw/zinc/93/21/18/474932118.db2.gz PDFLGZMJLGZHTE-MRXNPFEDSA-N 1 0 334.427 2.652 40 0 EFABRO COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257284800 474932786 /nfs/dbraw/zinc/93/27/86/474932786.db2.gz PEJKEWYWSSOASV-NQUFMGSDSA-N 1 0 329.444 2.568 40 0 EFABRO O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1CCN(Cc1cccs1)C2 ZINC000257287590 474933237 /nfs/dbraw/zinc/93/32/37/474933237.db2.gz PQPJZZMEDPFIOH-AWEZNQCLSA-N 1 0 330.457 2.617 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cnn(C(C)C)c2)C1 ZINC000257300262 474940029 /nfs/dbraw/zinc/94/00/29/474940029.db2.gz RTRBEEPKGQOSOK-HNNXBMFYSA-N 1 0 329.448 2.747 40 0 EFABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cnccn1 ZINC000257300272 474940635 /nfs/dbraw/zinc/94/06/35/474940635.db2.gz RTRQJCNNPXRRCM-GBESFXJTSA-N 1 0 336.439 2.917 40 0 EFABRO [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1CCCC(=O)Nc1nccs1 ZINC000257301258 474941672 /nfs/dbraw/zinc/94/16/72/474941672.db2.gz RXRSVAMHVRHNSW-CVEARBPZSA-N 1 0 344.484 2.711 40 0 EFABRO Cn1nccc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257302289 474943208 /nfs/dbraw/zinc/94/32/08/474943208.db2.gz SCIUYXPWRHWWBP-INIZCTEOSA-N 1 0 325.412 2.857 40 0 EFABRO COc1ccc(NC(=O)c2cnc(C)nc2CC2CC[NH2+]CC2)cc1 ZINC000257306382 474945789 /nfs/dbraw/zinc/94/57/89/474945789.db2.gz SUBWMPWVARDNIQ-UHFFFAOYSA-N 1 0 340.427 2.588 40 0 EFABRO c1ncc(C[NH+]2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)[nH]1 ZINC000257306905 474946061 /nfs/dbraw/zinc/94/60/61/474946061.db2.gz SWMZXWVKALJKCH-UHFFFAOYSA-N 1 0 349.442 2.793 40 0 EFABRO C[N@@H+]1CCN(Cc2ncc[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257311734 474947080 /nfs/dbraw/zinc/94/70/80/474947080.db2.gz UKUBNRZSTKLCQQ-INIZCTEOSA-N 1 0 335.455 2.564 40 0 EFABRO Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+]3CCCC3)cn2)no1 ZINC000257312443 474947238 /nfs/dbraw/zinc/94/72/38/474947238.db2.gz UNZCPJCTPROCQE-GOSISDBHSA-N 1 0 340.427 2.951 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)CCc2cccs2)n1 ZINC000257309973 474947993 /nfs/dbraw/zinc/94/79/93/474947993.db2.gz UDDHOIZIPOWNOR-INIZCTEOSA-N 1 0 344.484 2.896 40 0 EFABRO CC(=O)N1CC2(CC[NH+](Cc3cccc(C)c3)CC2)C[C@H](O)C1(C)C ZINC000257310136 474948505 /nfs/dbraw/zinc/94/85/05/474948505.db2.gz UDUSGEKSSCKCTJ-IBGZPJMESA-N 1 0 344.499 2.969 40 0 EFABRO Cc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@H]2CCC[N@H+]2C)n1 ZINC000257314040 474948578 /nfs/dbraw/zinc/94/85/78/474948578.db2.gz UVCQORSALYQSLU-QGZVFWFLSA-N 1 0 342.418 2.550 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](N(C)c3cnccn3)CC[C@@H]2C1 ZINC000257317149 474948731 /nfs/dbraw/zinc/94/87/31/474948731.db2.gz VIONOUZEKHBILV-QLFBSQMISA-N 1 0 329.473 2.588 40 0 EFABRO Cc1noc(C)c1CC(=O)N1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257319870 474950624 /nfs/dbraw/zinc/95/06/24/474950624.db2.gz VUJUPLRPXYYGDN-KRWDZBQOSA-N 1 0 336.395 2.814 40 0 EFABRO Cc1nc(C(=O)N(c2ccccc2)[C@@H]2COC3(C2)CC[NH2+]CC3)co1 ZINC000257319612 474950648 /nfs/dbraw/zinc/95/06/48/474950648.db2.gz VTGXUKZBSJZJSC-INIZCTEOSA-N 1 0 341.411 2.541 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)c1 ZINC000257317499 474950676 /nfs/dbraw/zinc/95/06/76/474950676.db2.gz VJYUCVMXZGZPKB-GOSISDBHSA-N 1 0 343.402 2.713 40 0 EFABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257325326 474955769 /nfs/dbraw/zinc/95/57/69/474955769.db2.gz WSNATRCTBUOTAE-FQEVSTJZSA-N 1 0 348.462 2.801 40 0 EFABRO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)cs1 ZINC000257340893 474963147 /nfs/dbraw/zinc/96/31/47/474963147.db2.gz ZHZHNAYDBLDVMA-VNQPRFMTSA-N 1 0 329.473 2.588 40 0 EFABRO COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257342382 474964211 /nfs/dbraw/zinc/96/42/11/474964211.db2.gz ZOIUJPWIFLHJMI-AMVTXUCVSA-N 1 0 329.444 2.568 40 0 EFABRO COC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260737545 474971652 /nfs/dbraw/zinc/97/16/52/474971652.db2.gz LTXLDKYFJJJERE-AWEZNQCLSA-N 1 0 349.500 2.882 40 0 EFABRO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261886128 475099954 /nfs/dbraw/zinc/09/99/54/475099954.db2.gz VBVYSXYOZZZMTQ-SFHVURJKSA-N 1 0 330.428 2.708 40 0 EFABRO C[C@H]1C[C@@H](c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)CC[N@@H+]1C ZINC000333737654 476016191 /nfs/dbraw/zinc/01/61/91/476016191.db2.gz XCUIKFSOCYDIIR-SOUVJXGZSA-N 1 0 340.427 2.788 40 0 EFABRO Cc1ncc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)o1 ZINC000333819682 476036497 /nfs/dbraw/zinc/03/64/97/476036497.db2.gz IRIMKFQYUKIHIP-UHFFFAOYSA-N 1 0 334.464 2.781 40 0 EFABRO COCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000390833299 476803545 /nfs/dbraw/zinc/80/35/45/476803545.db2.gz FUKBRGUGVVWCDB-MOPGFXCFSA-N 1 0 342.483 2.926 40 0 EFABRO CCOC(=O)Cc1c(C)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000408526125 476966719 /nfs/dbraw/zinc/96/67/19/476966719.db2.gz XVIWFYLDFNFVEE-UHFFFAOYSA-N 1 0 332.163 2.514 40 0 EFABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288693 479020780 /nfs/dbraw/zinc/02/07/80/479020780.db2.gz SKZSHZRSPXTEGL-OCCSQVGLSA-N 1 0 328.334 2.631 40 0 biogenic,in-vitro EFABRO O=C1CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@@H]([C@H]2CCCO2)N1 ZINC000529574789 479211329 /nfs/dbraw/zinc/21/13/29/479211329.db2.gz WUWNKTKBCDBFJW-LOWVWBTDSA-N 1 0 348.390 2.683 40 0 EFABRO Cc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585099941 479283439 /nfs/dbraw/zinc/28/34/39/479283439.db2.gz ARRTVDLFWZSXJB-MRXNPFEDSA-N 1 0 325.453 2.768 40 0 EFABRO COC[C@H]1CN(C(=O)c2ccco2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103265 479284766 /nfs/dbraw/zinc/28/47/66/479284766.db2.gz NVGLSTWBYJLVIV-QGZVFWFLSA-N 1 0 346.471 2.880 40 0 EFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000585103071 479285069 /nfs/dbraw/zinc/28/50/69/479285069.db2.gz PPNKYYLFPDZXGU-INIZCTEOSA-N 1 0 348.487 2.637 40 0 EFABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104675 479285793 /nfs/dbraw/zinc/28/57/93/479285793.db2.gz QTPMQYVAUUPJEM-FQEVSTJZSA-N 1 0 330.472 2.763 40 0 EFABRO CC(C)S(=O)(=O)N1CC[C@H]2[C@@H](C[N@@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107979 479287343 /nfs/dbraw/zinc/28/73/43/479287343.db2.gz PQIXQZHXEFKYGD-NJAFHUGGSA-N 1 0 336.501 2.534 40 0 EFABRO CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109678 479287476 /nfs/dbraw/zinc/28/74/76/479287476.db2.gz IEPBECNGPTZNLT-LZLXCTOHSA-N 1 0 338.455 2.719 40 0 EFABRO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](C[N@H+]2CCC(C)C)C1 ZINC000585107917 479287509 /nfs/dbraw/zinc/28/75/09/479287509.db2.gz FOHHLIJOUQITCQ-IRXDYDNUSA-N 1 0 336.501 2.736 40 0 EFABRO O=C(NCC[C@@H]1C[N@H+](CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111947 479288718 /nfs/dbraw/zinc/28/87/18/479288718.db2.gz FDIHYOMBTOMVCR-QGZVFWFLSA-N 1 0 345.491 2.626 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(Cc2scnc2C)Cc2ccnn21 ZINC000585112245 479289589 /nfs/dbraw/zinc/28/95/89/479289589.db2.gz LUJBHKAGZDGEJZ-INIZCTEOSA-N 1 0 333.505 2.937 40 0 EFABRO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000585141385 479298631 /nfs/dbraw/zinc/29/86/31/479298631.db2.gz VEDSSXVVUDHLIL-GDBMZVCRSA-N 1 0 326.444 2.724 40 0 EFABRO c1c[nH]c(CN2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)n1 ZINC000585177444 479301567 /nfs/dbraw/zinc/30/15/67/479301567.db2.gz QGWSUZFOZVSHGS-HNNXBMFYSA-N 1 0 349.442 2.793 40 0 EFABRO Cc1cc([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)ccn1 ZINC000585180250 479302161 /nfs/dbraw/zinc/30/21/61/479302161.db2.gz WBDZPUIVSUKVDR-IBGZPJMESA-N 1 0 339.439 2.665 40 0 EFABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000585261099 479302924 /nfs/dbraw/zinc/30/29/24/479302924.db2.gz DZDCORAYEOTSBJ-MRXNPFEDSA-N 1 0 328.416 2.518 40 0 EFABRO c1nc(Nc2cnc(C[C@@H]3CC[NH2+]C3)cn2)sc1-c1ccccc1 ZINC000585263110 479302984 /nfs/dbraw/zinc/30/29/84/479302984.db2.gz LLMCTCNSPHGFRL-ZDUSSCGKSA-N 1 0 337.452 3.496 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269482 479303540 /nfs/dbraw/zinc/30/35/40/479303540.db2.gz WHCWITOJBNIZCA-IBGZPJMESA-N 1 0 327.428 2.529 40 0 EFABRO CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1Cc1ccc(F)cc1 ZINC000585269254 479303899 /nfs/dbraw/zinc/30/38/99/479303899.db2.gz MZXWGDDMFJXVLR-PMACEKPBSA-N 1 0 348.462 2.764 40 0 EFABRO CNc1ncccc1C[N@@H+]1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585278284 479306942 /nfs/dbraw/zinc/30/69/42/479306942.db2.gz BGUGOBDEIBSKEH-QAPCUYQASA-N 1 0 329.419 2.688 40 0 EFABRO CO[C@]1(COc2cccc(C)c2)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585278610 479307263 /nfs/dbraw/zinc/30/72/63/479307263.db2.gz UOEJTEMOYHDMRO-LJQANCHMSA-N 1 0 327.428 2.763 40 0 EFABRO Cc1ccccc1N1CCC(O)(C[N@@H+](C)[C@H]2CCCC[C@@H]2O)CC1 ZINC000585284276 479307971 /nfs/dbraw/zinc/30/79/71/479307971.db2.gz HTFVFUKMRRFETB-OALUTQOASA-N 1 0 332.488 2.562 40 0 EFABRO O[C@@]1(COc2ccc(F)c(Cl)c2)COCC[N@@H+](C2CCCC2)C1 ZINC000585281774 479308316 /nfs/dbraw/zinc/30/83/16/479308316.db2.gz APLFVKRCCBRCQI-QGZVFWFLSA-N 1 0 343.826 2.864 40 0 EFABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000585289138 479308969 /nfs/dbraw/zinc/30/89/69/479308969.db2.gz MVWZRYTZQLCARR-IPMKNSEASA-N 1 0 329.444 2.614 40 0 EFABRO OCC1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585289249 479309360 /nfs/dbraw/zinc/30/93/60/479309360.db2.gz GRMPZQXIENRWRK-RCCFBDPRSA-N 1 0 339.863 2.705 40 0 EFABRO CO[C@H]1CCCN(C(=O)/C=C/C[NH+](C)C)[C@H]1Cc1ccc(C)cc1 ZINC000585289255 479309674 /nfs/dbraw/zinc/30/96/74/479309674.db2.gz GTLHUTNKLGCXQQ-HZJMMZBYSA-N 1 0 330.472 2.661 40 0 EFABRO CCn1nccc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289546 479309829 /nfs/dbraw/zinc/30/98/29/479309829.db2.gz JPQRQRBTBBVSCN-IPMKNSEASA-N 1 0 347.434 2.835 40 0 EFABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)[C@H](CO)[C@@H]1O ZINC000585294553 479310387 /nfs/dbraw/zinc/31/03/87/479310387.db2.gz IHSLLIHJRDEKSV-CEMLEFRQSA-N 1 0 348.446 2.864 40 0 EFABRO COc1cc(C(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)ccn1 ZINC000575414538 479442296 /nfs/dbraw/zinc/44/22/96/479442296.db2.gz JPFRXPRWYVBGQW-HNNXBMFYSA-N 1 0 336.395 2.836 40 0 EFABRO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000575606969 479450056 /nfs/dbraw/zinc/45/00/56/479450056.db2.gz NGENGXVYNGCLKO-OAHLLOKOSA-N 1 0 345.468 2.527 40 0 EFABRO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000181945010 534158088 /nfs/dbraw/zinc/15/80/88/534158088.db2.gz XLLFDXPJPUZXQN-CYBMUJFWSA-N 1 0 348.834 2.630 40 0 EFABRO COc1ccccc1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040119876 524469753 /nfs/dbraw/zinc/46/97/53/524469753.db2.gz AELAFQINFIBHSG-IYBDPMFKSA-N 1 0 333.476 2.862 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1 ZINC000012142294 526333656 /nfs/dbraw/zinc/33/36/56/526333656.db2.gz JWBARSYVGIUVHM-MRXNPFEDSA-N 1 0 338.390 2.539 40 0 EFABRO CC[N@@H+]1CCC[C@@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 ZINC000257309125 535526276 /nfs/dbraw/zinc/52/62/76/535526276.db2.gz TZQYUPKAUXFYFB-HNNXBMFYSA-N 1 0 326.448 2.901 40 0 EFABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cn1 ZINC000225943981 535906513 /nfs/dbraw/zinc/90/65/13/535906513.db2.gz MMABMTXBANTWNT-UHFFFAOYSA-N 1 0 327.428 2.938 40 0 EFABRO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000245289926 536520876 /nfs/dbraw/zinc/52/08/76/536520876.db2.gz GCBRCEYZHIMEER-FRQCXROJSA-N 1 0 347.503 2.855 40 0 EFABRO COc1ccc(OC)c(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)c1 ZINC000217562249 536823712 /nfs/dbraw/zinc/82/37/12/536823712.db2.gz FFAMZGZZRUMKLP-OAHLLOKOSA-N 1 0 339.399 2.623 40 0 EFABRO COc1ccccc1OCC(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257253878 537088777 /nfs/dbraw/zinc/08/87/77/537088777.db2.gz KAQKCHSVFAZHNO-HKUYNNGSSA-N 1 0 332.444 2.549 40 0 EFABRO COc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218125404 545559884 /nfs/dbraw/zinc/55/98/84/545559884.db2.gz YNXZHERJGQKRTC-BZUAXINKSA-N 1 0 337.828 2.616 40 0 EFABRO O=C1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4n3)CC[C@@H]2N1C1CC1 ZINC000585094321 546371232 /nfs/dbraw/zinc/37/12/32/546371232.db2.gz JIPFRGBLAHOYJW-KUHUBIRLSA-N 1 0 336.439 2.605 40 0 EFABRO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3ccccc3C3CC3)C2)n1 ZINC000584908791 564133944 /nfs/dbraw/zinc/13/39/44/564133944.db2.gz HKJKVAJBHYEEJV-QGZVFWFLSA-N 1 0 338.455 2.957 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)NCc2ccccc2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595651 1249165601 /nfs/dbraw/zinc/16/56/01/1249165601.db2.gz IYICFXPLKGCIPA-AOIWGVFYSA-N 1 0 340.398 2.753 40 0 EFABRO O=C(NCC1CC1)[C@@H]1C[N@H+](CC2CC2)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595765 1249167100 /nfs/dbraw/zinc/16/71/00/1249167100.db2.gz LNQVHFDFBIJFFN-AOIWGVFYSA-N 1 0 326.440 2.604 40 0 EFABRO c1csc(-c2nccc(N3CCCN(c4cc[nH+]cc4)CC3)n2)n1 ZINC001352065946 1333371088 /nfs/dbraw/zinc/37/10/88/1333371088.db2.gz IRIUUFRYJNWCKT-UHFFFAOYSA-N 1 0 338.440 2.712 40 0 EFABRO O=C(OCc1ccccc1)[C@@H]1CCC([NH2+]OCc2ccccc2)CN1 ZINC001560403819 1415281495 /nfs/dbraw/zinc/28/14/95/1415281495.db2.gz KKYZWTOZCMHYDS-IBGZPJMESA-N 1 0 339.415 2.735 40 0 EFABRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)C2 ZINC000892544433 718260833 /nfs/dbraw/zinc/26/08/33/718260833.db2.gz GAIMRZFIKOSJER-SNVBAGLBSA-N 1 0 328.363 2.907 40 0 EFABRO c1cncc(-c2nc(CC[C@@H]3CCC[N@@H+](C4CCOCC4)C3)no2)c1 ZINC000675024431 1099682376 /nfs/dbraw/zinc/68/23/76/1099682376.db2.gz GZLUHILNDRHHPC-HNNXBMFYSA-N 1 0 342.443 2.955 40 0 EFABRO O=C(CN1CC[NH+](CCCc2ccccc2)CC1)N1CCCCCC1 ZINC000053907122 214204642 /nfs/dbraw/zinc/20/46/42/214204642.db2.gz DEIPQMSVNZLJDR-UHFFFAOYSA-N 1 0 343.515 2.639 40 0 EFABRO Cc1nc(COc2cccc(C(=O)NC3CC[NH+](C)CC3)c2)cs1 ZINC000054460128 214239116 /nfs/dbraw/zinc/23/91/16/214239116.db2.gz QGUFZEXDCIFDTR-UHFFFAOYSA-N 1 0 345.468 2.855 40 0 EFABRO CCN(CC)c1ccc(NC(=O)C[NH2+]Cc2cccnc2)c(C)c1 ZINC000057698725 214440561 /nfs/dbraw/zinc/44/05/61/214440561.db2.gz QEMVYTHZRNFRCN-UHFFFAOYSA-N 1 0 326.444 2.965 40 0 EFABRO Cc1cc(C)c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000063201827 214749779 /nfs/dbraw/zinc/74/97/79/214749779.db2.gz HVDKXLWFLQGICV-UHFFFAOYSA-N 1 0 332.469 2.592 40 0 EFABRO COc1ncccc1C[N@@H+]1CC[C@H]2C[C@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000097953900 219064743 /nfs/dbraw/zinc/06/47/43/219064743.db2.gz NRDSIOOBKXLKMD-BMGDILEWSA-N 1 0 340.427 2.541 40 0 EFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000100177771 219093636 /nfs/dbraw/zinc/09/36/36/219093636.db2.gz ZGUQEAYRRWXYIK-ZNMIVQPWSA-N 1 0 341.496 2.654 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000048303122 213916131 /nfs/dbraw/zinc/91/61/31/213916131.db2.gz SYBFTQSYUZTMNH-MDZRGWNJSA-N 1 0 330.472 2.960 40 0 EFABRO CO[C@@H]1CO[C@@H]2[C@@H]([NH2+]Cc3ccc(-c4ccccc4)cc3)CO[C@H]12 ZINC000004236457 210148255 /nfs/dbraw/zinc/14/82/55/210148255.db2.gz ACXPXPSPDKSDTC-MTQWCTHYSA-N 1 0 325.408 2.624 40 0 biogenic,in-vitro EFABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000096255314 282385235 /nfs/dbraw/zinc/38/52/35/282385235.db2.gz BWSHLSGTKSUXHG-UHFFFAOYSA-N 1 0 335.411 2.744 40 0 EFABRO CC[NH+](CC)CCOC(=O)C[C@@](C)(O)[C@@H]1CCO[C@](C)(CC)C1 ZINC000004027463 210103550 /nfs/dbraw/zinc/10/35/50/210103550.db2.gz NJVWNHTWZNLWLA-KBAYOESNSA-N 1 0 329.481 2.608 40 0 EFABRO Cc1ccc(C)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000042646328 213521265 /nfs/dbraw/zinc/52/12/65/213521265.db2.gz LIOWSHUSYJRODF-UHFFFAOYSA-N 1 0 331.460 2.667 40 0 EFABRO CCNC(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+]3CCCCC3)on2)C1(C)C ZINC000067890118 215242455 /nfs/dbraw/zinc/24/24/55/215242455.db2.gz RHKPTJKNGATWDC-PBHICJAKSA-N 1 0 348.491 2.937 40 0 biogenic,in-vitro EFABRO CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1[NH2+]C1CCC1 ZINC000067890088 215242805 /nfs/dbraw/zinc/24/28/05/215242805.db2.gz IBARTWVYTPJGDE-KDOFPFPSSA-N 1 0 333.476 2.606 40 0 biogenic,in-vitro EFABRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000040466259 213309311 /nfs/dbraw/zinc/30/93/11/213309311.db2.gz CTNCNYPBNIPOEA-IBGZPJMESA-N 1 0 344.411 2.654 40 0 EFABRO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2ccsc2S1 ZINC000090799420 291083887 /nfs/dbraw/zinc/08/38/87/291083887.db2.gz QPDXMSKYRPUMOM-DMDPSCGWSA-N 1 0 346.543 2.687 40 0 EFABRO Cc1ccc(C)c([C@@H](O)CN2CCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000036734429 213114289 /nfs/dbraw/zinc/11/42/89/213114289.db2.gz DEMMFZOWNVDXFD-QUCCMNQESA-N 1 0 332.488 2.524 40 0 EFABRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCc2ccccc2)cc1OC ZINC000036612718 213101605 /nfs/dbraw/zinc/10/16/05/213101605.db2.gz FUHSGVBJLBHLLV-OAHLLOKOSA-N 1 0 343.423 2.968 40 0 EFABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)ccn1 ZINC000035424839 213027477 /nfs/dbraw/zinc/02/74/77/213027477.db2.gz LHOGFCYGTJOMCT-HNNXBMFYSA-N 1 0 344.415 2.846 40 0 biogenic,in-vitro EFABRO Cc1cc(C)n2nc(C(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2n1 ZINC000035315308 213020595 /nfs/dbraw/zinc/02/05/95/213020595.db2.gz XCWLHIZRQUWULN-GJZGRUSLSA-N 1 0 343.475 2.729 40 0 EFABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000035189287 213013683 /nfs/dbraw/zinc/01/36/83/213013683.db2.gz IZWKBHMVRKCCRM-RPVYPSMYSA-N 1 0 327.509 2.934 40 0 EFABRO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000189717955 237175071 /nfs/dbraw/zinc/17/50/71/237175071.db2.gz OHGJXMYSSRTWNG-PBHICJAKSA-N 1 0 331.464 2.946 40 0 EFABRO O[C@@H](C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)CC(F)(F)F ZINC000189876765 237346187 /nfs/dbraw/zinc/34/61/87/237346187.db2.gz ONBOERJGYOGAEB-SNVBAGLBSA-N 1 0 345.287 2.852 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCCCn2ccc3ccccc32)C1 ZINC000129263667 223036989 /nfs/dbraw/zinc/03/69/89/223036989.db2.gz QWHAXKHPPHVKAD-MRXNPFEDSA-N 1 0 328.460 2.625 40 0 EFABRO CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]2[N@@H+]1CC1CC1 ZINC000107203031 219752027 /nfs/dbraw/zinc/75/20/27/219752027.db2.gz WHIQFRAIDDWNNL-SQNIBIBYSA-N 1 0 347.528 2.625 40 0 EFABRO CN(Cc1cc(CC2([NH2+]CC3CC3)COC2)no1)Cc1ccccc1 ZINC000072321937 216149936 /nfs/dbraw/zinc/14/99/36/216149936.db2.gz AQTPDRGNSPBJFW-UHFFFAOYSA-N 1 0 341.455 2.618 40 0 biogenic,in-vitro EFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000072324536 216151454 /nfs/dbraw/zinc/15/14/54/216151454.db2.gz HEMNDFAKYONICJ-UONOGXRCSA-N 1 0 330.457 2.889 40 0 EFABRO Cc1ccccc1-c1cncc(C2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000072359607 216165938 /nfs/dbraw/zinc/16/59/38/216165938.db2.gz YEJZBLOGFGDOGT-UHFFFAOYSA-N 1 0 338.455 2.720 40 0 EFABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360362 216167076 /nfs/dbraw/zinc/16/70/76/216167076.db2.gz PXVQTDXPOATXCT-MRXNPFEDSA-N 1 0 340.431 2.635 40 0 EFABRO Cc1nc2cc(C3CCOCC3)nn2c(N[C@H](C)C[NH+](C)C)c1C ZINC000072337425 216158157 /nfs/dbraw/zinc/15/81/57/216158157.db2.gz GTHMFKCAVMFPHJ-GFCCVEGCSA-N 1 0 331.464 2.602 40 0 EFABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350555 216161843 /nfs/dbraw/zinc/16/18/43/216161843.db2.gz ZPEZRUHLRNNDNZ-QGZVFWFLSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)C[NH3+])n2)cc1 ZINC000072363215 216169935 /nfs/dbraw/zinc/16/99/35/216169935.db2.gz GLGMORRRDPQBLR-INIZCTEOSA-N 1 0 340.427 2.898 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363061 216170397 /nfs/dbraw/zinc/17/03/97/216170397.db2.gz SMUBFVOOAOCVJJ-AWEZNQCLSA-N 1 0 340.427 2.712 40 0 EFABRO [NH3+]CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072363209 216170463 /nfs/dbraw/zinc/17/04/63/216170463.db2.gz DVDXJKCNJWCDOL-GFCCVEGCSA-N 1 0 346.818 2.587 40 0 EFABRO Cc1cc(C(=O)NCCc2ccccc2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365770 216171052 /nfs/dbraw/zinc/17/10/52/216171052.db2.gz YEOBYKBOYBEUJO-KRWDZBQOSA-N 1 0 338.455 2.567 40 0 EFABRO Cc1cc(C(=O)NCc2ccccc2F)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365908 216171077 /nfs/dbraw/zinc/17/10/77/216171077.db2.gz POSJYCLMVDZESE-OAHLLOKOSA-N 1 0 342.418 2.663 40 0 EFABRO Cc1cc(C(=O)NCc2ccccc2F)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365909 216172001 /nfs/dbraw/zinc/17/20/01/216172001.db2.gz POSJYCLMVDZESE-HNNXBMFYSA-N 1 0 342.418 2.663 40 0 EFABRO Cc1cc(C(=O)NCCc2ccccc2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365769 216172107 /nfs/dbraw/zinc/17/21/07/216172107.db2.gz YEOBYKBOYBEUJO-QGZVFWFLSA-N 1 0 338.455 2.567 40 0 EFABRO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+]2Cc2cccnc2)c1 ZINC000072360468 216167745 /nfs/dbraw/zinc/16/77/45/216167745.db2.gz UDUIGRLPBMEDAO-LJQANCHMSA-N 1 0 338.455 2.801 40 0 EFABRO Cc1nc(C(=O)N2CCC(c3cc(N(C)C)cc(C)[nH+]3)CC2)co1 ZINC000072368590 216174394 /nfs/dbraw/zinc/17/43/94/216174394.db2.gz YYAPAXAXVRWKRH-UHFFFAOYSA-N 1 0 328.416 2.772 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000072370000 216178164 /nfs/dbraw/zinc/17/81/64/216178164.db2.gz QAKMIBKMCOXKBF-ZDUSSCGKSA-N 1 0 332.835 2.754 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375454 216178769 /nfs/dbraw/zinc/17/87/69/216178769.db2.gz APESDAXJLAAUAU-ZDUSSCGKSA-N 1 0 331.445 2.507 40 0 EFABRO Cc1cc(C)c2c(c1)cc([C@@H]1CCCN(C(=O)C[NH+](C)C)C1)[nH]c2=O ZINC000072383102 216183735 /nfs/dbraw/zinc/18/37/35/216183735.db2.gz VKLVILYUJSJZQZ-OAHLLOKOSA-N 1 0 341.455 2.825 40 0 EFABRO CC(C)C[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072383499 216183798 /nfs/dbraw/zinc/18/37/98/216183798.db2.gz YMXOVAOXNWEFRQ-UHFFFAOYSA-N 1 0 326.448 2.921 40 0 EFABRO Cc1nc(C(=O)N(C)Cc2ccccc2)cc(C2CC[NH+](C)CC2)n1 ZINC000072382878 216184511 /nfs/dbraw/zinc/18/45/11/216184511.db2.gz BWXHTHCVMZULPP-UHFFFAOYSA-N 1 0 338.455 2.866 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393075 216190780 /nfs/dbraw/zinc/19/07/80/216190780.db2.gz YBFVQCAKRUCDOQ-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1 ZINC000129592984 223073203 /nfs/dbraw/zinc/07/32/03/223073203.db2.gz QVCNREWXYCTRMU-QGZVFWFLSA-N 1 0 325.456 2.975 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1Br)C1CC1 ZINC000037808841 213168345 /nfs/dbraw/zinc/16/83/45/213168345.db2.gz IQIVUTBMZYDPSJ-AWEZNQCLSA-N 1 0 325.250 2.923 40 0 EFABRO Oc1cccc([C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190283897 238358108 /nfs/dbraw/zinc/35/81/08/238358108.db2.gz CLJFFXGASRBAJM-GOSISDBHSA-N 1 0 333.428 2.699 40 0 EFABRO Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000072635530 216285164 /nfs/dbraw/zinc/28/51/64/216285164.db2.gz SKQKJUAGYMYQFE-UHFFFAOYSA-N 1 0 345.487 2.904 40 0 EFABRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)s1 ZINC000023127612 212352720 /nfs/dbraw/zinc/35/27/20/212352720.db2.gz AQWFHDJZHMCKLN-UHFFFAOYSA-N 1 0 342.530 2.989 40 0 EFABRO O=S(=O)(NCC1CC[NH+](C2CCCC2)CC1)c1cccc(F)c1 ZINC000023127606 212352613 /nfs/dbraw/zinc/35/26/13/212352613.db2.gz CHONRDBATNRYQZ-UHFFFAOYSA-N 1 0 340.464 2.759 40 0 EFABRO COc1ccccc1OCC(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127980 212352668 /nfs/dbraw/zinc/35/26/68/212352668.db2.gz WOJCASXJVABXCS-UHFFFAOYSA-N 1 0 346.471 2.845 40 0 EFABRO Cc1cccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023127600 212351594 /nfs/dbraw/zinc/35/15/94/212351594.db2.gz XPQZKGDHGBXMED-UHFFFAOYSA-N 1 0 336.501 2.928 40 0 EFABRO O[C@@H]1C[C@H]2C[N@H+](CC3CCCCC3)[C@@H](Cc3ccccc3)CN2C1 ZINC000022917212 212335048 /nfs/dbraw/zinc/33/50/48/212335048.db2.gz NIQMSWKKDAJQAE-PCCBWWKXSA-N 1 0 328.500 2.929 40 0 EFABRO COc1ccc(CN(CC[NH+](C)C)Cc2ccncc2)cc1OC ZINC000022913763 212332822 /nfs/dbraw/zinc/33/28/22/212332822.db2.gz QERWNZWNVZKDGK-UHFFFAOYSA-N 1 0 329.444 2.663 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000022787580 212325172 /nfs/dbraw/zinc/32/51/72/212325172.db2.gz WIVRCHJUARYGOA-GOEBONIOSA-N 1 0 345.443 2.898 40 0 EFABRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC(C)(C)C(=O)NC)CCC2 ZINC000193067483 240004701 /nfs/dbraw/zinc/00/47/01/240004701.db2.gz BKQFZOBTFONJLX-LBPRGKRZSA-N 1 0 336.432 2.504 40 0 EFABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000022530429 212305423 /nfs/dbraw/zinc/30/54/23/212305423.db2.gz FNQMSQNJBRNTPC-SFHVURJKSA-N 1 0 334.460 2.845 40 0 EFABRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C ZINC000193343544 240120339 /nfs/dbraw/zinc/12/03/39/240120339.db2.gz CZWVLVKDIBMRHU-MLGOLLRUSA-N 1 0 348.397 2.540 40 0 EFABRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C ZINC000193343575 240120568 /nfs/dbraw/zinc/12/05/68/240120568.db2.gz CZWVLVKDIBMRHU-WBMJQRKESA-N 1 0 348.397 2.540 40 0 EFABRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccnn1C ZINC000193343531 240120925 /nfs/dbraw/zinc/12/09/25/240120925.db2.gz CZWVLVKDIBMRHU-BLLLJJGKSA-N 1 0 348.397 2.540 40 0 EFABRO Fc1ccc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)c(F)c1 ZINC000228937409 240233658 /nfs/dbraw/zinc/23/36/58/240233658.db2.gz HLHTZWFSABOZQY-UHFFFAOYSA-N 1 0 344.369 2.641 40 0 EFABRO Cc1cc(F)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228937527 240233834 /nfs/dbraw/zinc/23/38/34/240233834.db2.gz SXCBRPPKIRJLBH-UHFFFAOYSA-N 1 0 326.379 2.942 40 0 EFABRO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499638 240307496 /nfs/dbraw/zinc/30/74/96/240307496.db2.gz SDDHHVVWJBUFNQ-IUCAKERBSA-N 1 0 335.206 2.688 40 0 EFABRO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000245312456 240252950 /nfs/dbraw/zinc/25/29/50/240252950.db2.gz JIPDLDSRKJOMDY-WCXIOVBPSA-N 1 0 348.491 2.719 40 0 EFABRO Cc1c[nH]c(-c2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)nc(C)n2)n1 ZINC000257339428 240312296 /nfs/dbraw/zinc/31/22/96/240312296.db2.gz ZBRNJSCNKDOVNO-MRXNPFEDSA-N 1 0 334.427 2.868 40 0 EFABRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000195549430 241000276 /nfs/dbraw/zinc/00/02/76/241000276.db2.gz YPNQCGZQYMBYRB-PBHICJAKSA-N 1 0 330.407 2.665 40 0 EFABRO Brc1cncnc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000195570820 241017659 /nfs/dbraw/zinc/01/76/59/241017659.db2.gz MNILEUYMMKGWNZ-LBPRGKRZSA-N 1 0 325.254 2.694 40 0 EFABRO CCNc1ccc(Cl)cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000195580361 241030095 /nfs/dbraw/zinc/03/00/95/241030095.db2.gz MYUWFWLCNRZHTJ-UHFFFAOYSA-N 1 0 339.867 2.612 40 0 EFABRO CC[NH2+]CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199800024 241040966 /nfs/dbraw/zinc/04/09/66/241040966.db2.gz BGSJXCLTKRREEH-UHFFFAOYSA-N 1 0 327.219 2.943 40 0 EFABRO COC[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218443783 241321507 /nfs/dbraw/zinc/32/15/07/241321507.db2.gz CMCXQBLTVDMMBV-QYZOEREBSA-N 1 0 345.464 2.526 40 0 EFABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037625 241291777 /nfs/dbraw/zinc/29/17/77/241291777.db2.gz LJBXAPWNYOTERF-QYZOEREBSA-N 1 0 345.464 2.608 40 0 EFABRO O=C(OC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(O)(c1ccccc1)c1ccccc1 ZINC000022016471 212269755 /nfs/dbraw/zinc/26/97/55/212269755.db2.gz HIIVXBCWDPCZJA-DFNIBXOVSA-N 1 0 337.419 2.749 40 0 EFABRO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000225472223 241881354 /nfs/dbraw/zinc/88/13/54/241881354.db2.gz SDYGMVOZGWWMKQ-MNOVXSKESA-N 1 0 343.290 2.655 40 0 EFABRO COc1ccc(C2(CNC(=O)[C@@H]3CC[NH2+]C3)CCCCC2)cc1OC ZINC000225472873 241881420 /nfs/dbraw/zinc/88/14/20/241881420.db2.gz SGHBRUDKLJGETI-OAHLLOKOSA-N 1 0 346.471 2.631 40 0 EFABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccncc1 ZINC000225744451 242015023 /nfs/dbraw/zinc/01/50/23/242015023.db2.gz XGGWWUBQUJNHDI-UHFFFAOYSA-N 1 0 326.469 2.816 40 0 EFABRO C[NH+](C)C[C@@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1 ZINC000225788280 242036622 /nfs/dbraw/zinc/03/66/22/242036622.db2.gz DSHGMSGQTXFHAL-CYBMUJFWSA-N 1 0 338.864 2.899 40 0 EFABRO Cc1ccc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000230196731 242248428 /nfs/dbraw/zinc/24/84/28/242248428.db2.gz CIFBGRACDXOUCQ-BEFAXECRSA-N 1 0 338.455 2.710 40 0 EFABRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000241816010 243004116 /nfs/dbraw/zinc/00/41/16/243004116.db2.gz SEWGCOZXHISKGV-KRWDZBQOSA-N 1 0 346.814 2.770 40 0 EFABRO Cc1cc(C(=O)N2Cc3ccnn3[C@H](CC[NH+](C)C)C2)sc1C ZINC000248148042 243540085 /nfs/dbraw/zinc/54/00/85/243540085.db2.gz WJDPXLRJMQJCSX-OAHLLOKOSA-N 1 0 332.473 2.710 40 0 EFABRO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588430 244026932 /nfs/dbraw/zinc/02/69/32/244026932.db2.gz CFJWJQJWSMMIHH-FQEVSTJZSA-N 1 0 341.455 2.711 40 0 EFABRO c1cncc(COCC[C@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)c1 ZINC000253588916 244027789 /nfs/dbraw/zinc/02/77/89/244027789.db2.gz YUGDPBUTDBGKKV-KRWDZBQOSA-N 1 0 346.471 2.648 40 0 EFABRO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)cn1 ZINC000257199654 244114419 /nfs/dbraw/zinc/11/44/19/244114419.db2.gz AAHNGLFOZRQJHA-KRWDZBQOSA-N 1 0 325.460 2.701 40 0 EFABRO CCN(Cc1ccccc1)C(=O)c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000257200447 244119150 /nfs/dbraw/zinc/11/91/50/244119150.db2.gz ADJKAJZVKNOGQF-KRWDZBQOSA-N 1 0 338.455 2.948 40 0 EFABRO Cc1cccc(C[N@@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)n1 ZINC000257202884 244123303 /nfs/dbraw/zinc/12/33/03/244123303.db2.gz ANUQNBGOSJGFGJ-KRWDZBQOSA-N 1 0 336.439 2.729 40 0 EFABRO Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000257210299 244147925 /nfs/dbraw/zinc/14/79/25/244147925.db2.gz BUADPFUOMUZLIS-KRWDZBQOSA-N 1 0 326.444 2.800 40 0 EFABRO COc1ccc2cc(C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc2c1 ZINC000257210617 244150711 /nfs/dbraw/zinc/15/07/11/244150711.db2.gz BVLJGZZVPPIHRJ-PMACEKPBSA-N 1 0 327.424 2.964 40 0 EFABRO COc1cc(C[NH+]2CCC3(CC2)OCCC[C@@H]3OC)cc(OC)c1 ZINC000257212730 244158158 /nfs/dbraw/zinc/15/81/58/244158158.db2.gz CERRIRWXRSZKBZ-SFHVURJKSA-N 1 0 335.444 2.864 40 0 EFABRO Cc1ncsc1-c1cc(C(=O)NCC[NH+]2CCCCC2)ccn1 ZINC000257214846 244164158 /nfs/dbraw/zinc/16/41/58/244164158.db2.gz CNQXSRXKZYYYLV-UHFFFAOYSA-N 1 0 330.457 2.729 40 0 EFABRO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2Cc2ccc(F)cn2)n1 ZINC000257215758 244167036 /nfs/dbraw/zinc/16/70/36/244167036.db2.gz CRMYALACBSSWNP-KRWDZBQOSA-N 1 0 329.423 2.718 40 0 EFABRO COc1cccc(CN2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)c1F ZINC000257221600 244186546 /nfs/dbraw/zinc/18/65/46/244186546.db2.gz DPUPNZOGISYYCL-INIZCTEOSA-N 1 0 345.418 2.645 40 0 EFABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2cccnc2)cc1 ZINC000257221766 244189640 /nfs/dbraw/zinc/18/96/40/244189640.db2.gz DQKWVUVSNWKYTH-IBGZPJMESA-N 1 0 339.439 2.584 40 0 EFABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)N2CCc3ccccc3C2)c1 ZINC000257223787 244192906 /nfs/dbraw/zinc/19/29/06/244192906.db2.gz DYVSEZKFKFXJHF-UHFFFAOYSA-N 1 0 332.407 2.530 40 0 EFABRO Cn1nccc1CN1CC[N@H+](C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257231578 244213898 /nfs/dbraw/zinc/21/38/98/244213898.db2.gz GHIQQZJVUFQLJG-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)[nH+]1 ZINC000257219599 244177987 /nfs/dbraw/zinc/17/79/87/244177987.db2.gz DHJJAVJQAQPJLU-AWEZNQCLSA-N 1 0 340.427 2.951 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257219831 244182664 /nfs/dbraw/zinc/18/26/64/244182664.db2.gz DIINUAMZRIUUTF-ZDUSSCGKSA-N 1 0 340.456 2.696 40 0 EFABRO Cc1nn2c(nccc2[C@@H]2CC[N@@H+](CC(C)C)C2)c1Cn1cccn1 ZINC000257243850 244250393 /nfs/dbraw/zinc/25/03/93/244250393.db2.gz IIVIPIJWCPRTRB-MRXNPFEDSA-N 1 0 338.459 2.728 40 0 EFABRO C[C@]12CC[N@@H+](C3CCOCC3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257236446 244229731 /nfs/dbraw/zinc/22/97/31/244229731.db2.gz HCFZJJNYFUHTMK-ICSRJNTNSA-N 1 0 328.456 2.821 40 0 EFABRO Cc1nc(-c2nccn2C)cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257240211 244241794 /nfs/dbraw/zinc/24/17/94/244241794.db2.gz HSOOCVPZKYZYLR-KRWDZBQOSA-N 1 0 348.454 2.960 40 0 EFABRO O=C(c1ccccn1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257243061 244246591 /nfs/dbraw/zinc/24/65/91/244246591.db2.gz IFHOGPRRIUICAR-KRWDZBQOSA-N 1 0 337.423 2.640 40 0 EFABRO O=C(CCn1ncc2ccccc21)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257252449 244272622 /nfs/dbraw/zinc/27/26/22/244272622.db2.gz JUUWNVSXYOPUGN-IBGZPJMESA-N 1 0 334.423 2.600 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)c3)C2)n[nH]1 ZINC000257254394 244278641 /nfs/dbraw/zinc/27/86/41/244278641.db2.gz KCWFEEICINFKGW-OAHLLOKOSA-N 1 0 335.415 2.718 40 0 EFABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)cc1CO ZINC000257256098 244280943 /nfs/dbraw/zinc/28/09/43/244280943.db2.gz KKBHICRCOGBSFQ-MRXNPFEDSA-N 1 0 327.428 2.666 40 0 EFABRO Cc1ccccc1CC(=O)N1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257255402 244281203 /nfs/dbraw/zinc/28/12/03/244281203.db2.gz KHHVRZPMFXYHLI-SFHVURJKSA-N 1 0 338.455 2.753 40 0 EFABRO CN(C)C(=O)c1sc2nc(C3(C)CC[NH+](C)CC3)ccc2c1N ZINC000257256375 244282464 /nfs/dbraw/zinc/28/24/64/244282464.db2.gz KLEPKWNHINRNLI-UHFFFAOYSA-N 1 0 332.473 2.564 40 0 EFABRO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000077315065 216869969 /nfs/dbraw/zinc/86/99/69/216869969.db2.gz CDLCUTRHILIPMR-QUCCMNQESA-N 1 0 343.515 2.602 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)c1 ZINC000257265549 244361056 /nfs/dbraw/zinc/36/10/56/244361056.db2.gz LZDIOUFWUCNEIQ-KRWDZBQOSA-N 1 0 344.415 2.757 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)nc1 ZINC000257266319 244362083 /nfs/dbraw/zinc/36/20/83/244362083.db2.gz MCMAQIXQRDKBII-CQSZACIVSA-N 1 0 338.390 2.576 40 0 EFABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)C1CCC(F)(F)CC1 ZINC000257269319 244369481 /nfs/dbraw/zinc/36/94/81/244369481.db2.gz MPLWIIITBVQNAE-BZUAXINKSA-N 1 0 344.446 2.696 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)[nH+]1 ZINC000257269367 244370335 /nfs/dbraw/zinc/37/03/35/244370335.db2.gz MPQZJMLSZKQXRK-KRWDZBQOSA-N 1 0 345.468 2.660 40 0 EFABRO O=C1O[C@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccccc1)C2 ZINC000257269184 244371054 /nfs/dbraw/zinc/37/10/54/244371054.db2.gz MOXFGYKUWXBPFR-HXUWFJFHSA-N 1 0 338.407 2.914 40 0 EFABRO CC(C)Oc1ccc([C@H]2CN(c3cnccn3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257264329 244355665 /nfs/dbraw/zinc/35/56/65/244355665.db2.gz LTYKDMVIUQXNBC-GUDVDZBRSA-N 1 0 338.455 2.846 40 0 EFABRO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257272990 244384391 /nfs/dbraw/zinc/38/43/91/244384391.db2.gz NEUZQYZXMUAZPL-HXUWFJFHSA-N 1 0 349.438 2.931 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)c1 ZINC000257276904 244394006 /nfs/dbraw/zinc/39/40/06/244394006.db2.gz NVPYCTOFWAXDLF-ZDUSSCGKSA-N 1 0 335.411 2.938 40 0 EFABRO CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC000257276651 244395351 /nfs/dbraw/zinc/39/53/51/244395351.db2.gz NUPFMFZQZLRABI-SFHVURJKSA-N 1 0 344.434 2.809 40 0 EFABRO COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000077457131 216909168 /nfs/dbraw/zinc/90/91/68/216909168.db2.gz XGIJFSNXTLWGBM-VXGBXAGGSA-N 1 0 331.865 2.794 40 0 EFABRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019750426 212062317 /nfs/dbraw/zinc/06/23/17/212062317.db2.gz PLUKBUGEFCXILB-HNNXBMFYSA-N 1 0 326.444 2.523 40 0 EFABRO Cn1cc(-c2ccc([C@@H]3CCC[N@H+](Cc4ccnn4C)C3)nc2)cn1 ZINC000019689203 212055846 /nfs/dbraw/zinc/05/58/46/212055846.db2.gz FQDZRKNETSZJPJ-MRXNPFEDSA-N 1 0 336.443 2.595 40 0 EFABRO COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)o1 ZINC000019594503 212049845 /nfs/dbraw/zinc/04/98/45/212049845.db2.gz ZOSPZVPEOFAUQY-YJLNNSPDSA-N 1 0 328.412 2.551 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590368 212049076 /nfs/dbraw/zinc/04/90/76/212049076.db2.gz OMHVTJPWKDYGGY-MRXNPFEDSA-N 1 0 342.487 2.751 40 0 EFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1ccno1)Cc1ccccc1O2 ZINC000019591981 212048466 /nfs/dbraw/zinc/04/84/66/212048466.db2.gz XTMUCSZSQFQTRO-UHFFFAOYSA-N 1 0 341.411 2.610 40 0 EFABRO Cc1cc(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cs1 ZINC000019571897 212043310 /nfs/dbraw/zinc/04/33/10/212043310.db2.gz CWPYLTKNCZMISH-MRXNPFEDSA-N 1 0 342.468 2.860 40 0 EFABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575942 212044943 /nfs/dbraw/zinc/04/49/43/212044943.db2.gz ZKMWMTWZZGIFCD-RYQLBKOJSA-N 1 0 349.478 2.971 40 0 EFABRO Cc1nn(C[C@H](C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)c1C ZINC000019556866 212042444 /nfs/dbraw/zinc/04/24/44/212042444.db2.gz GYBBRLXAZXFZSV-LSDHHAIUSA-N 1 0 334.508 2.825 40 0 EFABRO CC[C@H](c1nnnn1CCC(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019500633 212034021 /nfs/dbraw/zinc/03/40/21/212034021.db2.gz PFBVRTGOALXPOW-QGZVFWFLSA-N 1 0 334.512 2.731 40 0 EFABRO O=c1cc([C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402859 212025638 /nfs/dbraw/zinc/02/56/38/212025638.db2.gz KWSCHPBLUXFIHA-HOTGVXAUSA-N 1 0 336.439 2.978 40 0 EFABRO O=C(Cn1c([C@@H]2CCC[NH2+]C2)cc2cccnc21)NC1CCCC1 ZINC000019347084 212019986 /nfs/dbraw/zinc/01/99/86/212019986.db2.gz QKNXZOLTAPRNRZ-OAHLLOKOSA-N 1 0 326.444 2.562 40 0 EFABRO C[NH+]1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019369641 212022712 /nfs/dbraw/zinc/02/27/12/212022712.db2.gz LSWZUMYYYMPZFA-LJQANCHMSA-N 1 0 332.488 2.721 40 0 EFABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019348763 212020253 /nfs/dbraw/zinc/02/02/53/212020253.db2.gz FIISTPAFAQXASX-CABCVRRESA-N 1 0 328.378 2.736 40 0 EFABRO O=C(Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21)NC1CCCC1 ZINC000019347086 212019885 /nfs/dbraw/zinc/01/98/85/212019885.db2.gz QKNXZOLTAPRNRZ-HNNXBMFYSA-N 1 0 326.444 2.562 40 0 EFABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)no1)N1CCCC1 ZINC000019339077 212018731 /nfs/dbraw/zinc/01/87/31/212018731.db2.gz HMHIFGGQVUETPY-INIZCTEOSA-N 1 0 340.427 2.685 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000019289396 212012261 /nfs/dbraw/zinc/01/22/61/212012261.db2.gz VEOKFCAFTDFZFT-HNNXBMFYSA-N 1 0 337.427 2.752 40 0 EFABRO CN(C(=O)Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000050041915 214042030 /nfs/dbraw/zinc/04/20/30/214042030.db2.gz XQUPMMWQUANBGG-YIONKMFJSA-N 1 0 337.261 2.733 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000019289385 212011749 /nfs/dbraw/zinc/01/17/49/212011749.db2.gz OAUDZTSYLKDNLP-OAHLLOKOSA-N 1 0 337.427 2.752 40 0 EFABRO Cc1cnc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4F)C3)o2)cn1 ZINC000019239192 212008435 /nfs/dbraw/zinc/00/84/35/212008435.db2.gz KVGQNBGCDKABNJ-AWEZNQCLSA-N 1 0 339.374 2.964 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)s1 ZINC000019217261 212005795 /nfs/dbraw/zinc/00/57/95/212005795.db2.gz GVHSBPJAESICFX-APWZRJJASA-N 1 0 340.448 2.873 40 0 EFABRO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216611 212005360 /nfs/dbraw/zinc/00/53/60/212005360.db2.gz IXPVNGILTFEYSO-CQSZACIVSA-N 1 0 325.416 2.901 40 0 EFABRO COc1ccc([C@@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)cc1F ZINC000078441083 217052623 /nfs/dbraw/zinc/05/26/23/217052623.db2.gz UGPGNIVNXGCFRY-CYBMUJFWSA-N 1 0 337.439 2.879 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000078394350 217047055 /nfs/dbraw/zinc/04/70/55/217047055.db2.gz RHQMOYNTFLDQEV-GFCCVEGCSA-N 1 0 329.897 2.606 40 0 EFABRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ZINC000078656935 217096527 /nfs/dbraw/zinc/09/65/27/217096527.db2.gz MZMLCCLRTXPOGU-MRXNPFEDSA-N 1 0 326.444 2.781 40 0 EFABRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccncc2)cc1 ZINC000078663144 217096919 /nfs/dbraw/zinc/09/69/19/217096919.db2.gz GEHGBYZWCRDCMR-UHFFFAOYSA-N 1 0 332.469 2.943 40 0 EFABRO C[NH+](C)CCN(C(=O)c1csc(-c2cnccn2)n1)C1CCCC1 ZINC000079050123 217181703 /nfs/dbraw/zinc/18/17/03/217181703.db2.gz LYLISZSFGMYQHQ-UHFFFAOYSA-N 1 0 345.472 2.547 40 0 EFABRO COc1ccccc1NCC(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC000079049473 217181917 /nfs/dbraw/zinc/18/19/17/217181917.db2.gz RDSXNYGHKMYKOW-UHFFFAOYSA-N 1 0 331.460 2.654 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1 ZINC000079096142 217192138 /nfs/dbraw/zinc/19/21/38/217192138.db2.gz UTKCNWXUVRTRQP-CQSZACIVSA-N 1 0 345.468 2.773 40 0 EFABRO CC(=O)Nc1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000079311491 217207734 /nfs/dbraw/zinc/20/77/34/217207734.db2.gz FXQHZWQVAZEMDO-FQEVSTJZSA-N 1 0 342.439 2.655 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000110618476 220049285 /nfs/dbraw/zinc/04/92/85/220049285.db2.gz OYGNFFQAQHPKAH-HZMVEIRTSA-N 1 0 349.450 2.541 40 0 EFABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079411205 217221602 /nfs/dbraw/zinc/22/16/02/217221602.db2.gz QAYHTOMTVWMTRT-ROUUACIJSA-N 1 0 334.460 2.927 40 0 EFABRO CC(C)N(C[C@@H]1CCCN(CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411701 217221702 /nfs/dbraw/zinc/22/17/02/217221702.db2.gz JRTBETIIYCORLU-GOSISDBHSA-N 1 0 333.476 2.704 40 0 EFABRO CC(C)N(C[C@@H]1CCCCN1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411623 217221756 /nfs/dbraw/zinc/22/17/56/217221756.db2.gz CFCVSRPAOQYBQB-SFHVURJKSA-N 1 0 333.476 2.847 40 0 EFABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000079411344 217221802 /nfs/dbraw/zinc/22/18/02/217221802.db2.gz SYBMOKJOIVMQFC-MSOLQXFVSA-N 1 0 332.444 2.681 40 0 EFABRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677950 220055690 /nfs/dbraw/zinc/05/56/90/220055690.db2.gz WEVVDIYGADOERQ-SCLBCKFNSA-N 1 0 338.398 2.597 40 0 EFABRO [NH3+]CCN(C1CC1)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079391880 217218646 /nfs/dbraw/zinc/21/86/46/217218646.db2.gz ASJWIBRFFMOXHH-MSOLQXFVSA-N 1 0 331.460 2.647 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccnc(Br)c1)C(C)C ZINC000079430902 217223260 /nfs/dbraw/zinc/22/32/60/217223260.db2.gz MNGDWGRIFTVLPB-ZDUSSCGKSA-N 1 0 328.254 2.564 40 0 EFABRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000081361534 217389012 /nfs/dbraw/zinc/38/90/12/217389012.db2.gz YEFZTCGDMXRCJI-GFCCVEGCSA-N 1 0 342.281 2.592 40 0 EFABRO C[C@H](O)C[NH+](C[C@H](C)O)[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000004782936 299464450 /nfs/dbraw/zinc/46/44/50/299464450.db2.gz ONNLDWXJRIGIMG-FIKGOQFSSA-N 1 0 341.451 2.603 40 0 EFABRO CC(=O)c1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000089393671 217793884 /nfs/dbraw/zinc/79/38/84/217793884.db2.gz ISGSVRJFCYSBNM-UHFFFAOYSA-N 1 0 337.423 2.931 40 0 EFABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377833 211360188 /nfs/dbraw/zinc/36/01/88/211360188.db2.gz XOOKMKTWIXOUPA-TZMCWYRMSA-N 1 0 328.250 2.921 40 0 EFABRO COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cnn(C)c2)cc1 ZINC000012408112 211370661 /nfs/dbraw/zinc/37/06/61/211370661.db2.gz VXGSXMCODLSMLB-FRQCXROJSA-N 1 0 327.428 2.861 40 0 EFABRO O=C(Cn1cccc2cc([C@H]3CCC[NH2+]C3)nc1-2)NC1CCCC1 ZINC000012337667 211351222 /nfs/dbraw/zinc/35/12/22/211351222.db2.gz MZIYPVIXZDKBCT-HNNXBMFYSA-N 1 0 326.444 2.514 40 0 EFABRO O=C1CC[C@@H](c2nc(C3CC[NH+](Cc4ccccc4F)CC3)no2)N1 ZINC000012337473 211351024 /nfs/dbraw/zinc/35/10/24/211351024.db2.gz YAOKGGXDKHRVSJ-HNNXBMFYSA-N 1 0 344.390 2.539 40 0 EFABRO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000012326113 211349185 /nfs/dbraw/zinc/34/91/85/211349185.db2.gz HELHRQILHPNNKO-UHFFFAOYSA-N 1 0 348.462 2.806 40 0 EFABRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(OCCO)cc3)CC2)cc1 ZINC000012328912 211349213 /nfs/dbraw/zinc/34/92/13/211349213.db2.gz BESTWRDANBMIPS-UHFFFAOYSA-N 1 0 341.451 2.850 40 0 EFABRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)c(C)c1C ZINC000012366583 211357597 /nfs/dbraw/zinc/35/75/97/211357597.db2.gz XQFYLMVWBUTUMS-SJLPKXTDSA-N 1 0 330.428 2.956 40 0 EFABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[NH2+]C1 ZINC000012275201 211334117 /nfs/dbraw/zinc/33/41/17/211334117.db2.gz BBBNUWJZKFDDBS-GOSISDBHSA-N 1 0 332.375 2.956 40 0 EFABRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)CC[NH+](C)C)s1 ZINC000012238209 211328137 /nfs/dbraw/zinc/32/81/37/211328137.db2.gz XHOCHLPCDNTBFV-UHFFFAOYSA-N 1 0 331.485 2.989 40 0 EFABRO O=C(Cn1cccc2cc(C3CC[NH2+]CC3)nc1-2)N1CCCCCC1 ZINC000012234121 211326386 /nfs/dbraw/zinc/32/63/86/211326386.db2.gz RECRSRNGUITBHW-UHFFFAOYSA-N 1 0 340.471 2.858 40 0 EFABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1O ZINC000012185624 211314313 /nfs/dbraw/zinc/31/43/13/211314313.db2.gz GABMPNXETZOVJX-ZDUSSCGKSA-N 1 0 345.395 2.513 40 0 EFABRO COc1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)ccc1O ZINC000012185614 211313700 /nfs/dbraw/zinc/31/37/00/211313700.db2.gz HDSNZJFTYXKBRK-CYBMUJFWSA-N 1 0 345.395 2.513 40 0 EFABRO CN(CC[NH+](C)C)c1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012186284 211313073 /nfs/dbraw/zinc/31/30/73/211313073.db2.gz LJXZTZNDBVAVBM-UHFFFAOYSA-N 1 0 340.456 2.660 40 0 EFABRO CC(C)NC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012220214 211322882 /nfs/dbraw/zinc/32/28/82/211322882.db2.gz RQIPOOFYQMGLBZ-QFBILLFUSA-N 1 0 347.434 2.603 40 0 EFABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCC[NH2+]C1 ZINC000012157384 211308859 /nfs/dbraw/zinc/30/88/59/211308859.db2.gz HROBTYJZQSTEFW-FZKQIMNGSA-N 1 0 334.391 2.642 40 0 EFABRO CC1CCN(C(=O)C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000012113979 211292552 /nfs/dbraw/zinc/29/25/52/211292552.db2.gz SJMNIEIVUCCPIT-UHFFFAOYSA-N 1 0 344.455 2.853 40 0 EFABRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000091478095 218012471 /nfs/dbraw/zinc/01/24/71/218012471.db2.gz HPCXXIALRHJZDI-BETUJISGSA-N 1 0 336.505 2.741 40 0 EFABRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1nccs1 ZINC000091727186 218054548 /nfs/dbraw/zinc/05/45/48/218054548.db2.gz JEHZMIAFPJEELT-CABZTGNLSA-N 1 0 340.832 2.952 40 0 EFABRO O=C(c1ccsc1)N1Cc2ccnn2C[C@@H](C[NH+]2CCCCC2)C1 ZINC000247874064 284733997 /nfs/dbraw/zinc/73/39/97/284733997.db2.gz SGKKVIHGECOCLS-HNNXBMFYSA-N 1 0 344.484 2.703 40 0 EFABRO COCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009834042 211126532 /nfs/dbraw/zinc/12/65/32/211126532.db2.gz OFLCXVIZYIDYRL-QGZVFWFLSA-N 1 0 328.412 2.993 40 0 EFABRO Cc1ccccc1C[n+]1ccc([C@H](O)[C@H]2Cn3cccc3C2=O)cc1 ZINC000009498962 211092551 /nfs/dbraw/zinc/09/25/51/211092551.db2.gz AUWRCNIWUAIITK-QUCCMNQESA-N 1 0 333.411 2.678 40 0 EFABRO COc1ccccc1/C=C/C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000093669210 218242527 /nfs/dbraw/zinc/24/25/27/218242527.db2.gz NBGOQUVWXJBBNX-QPJJXVBHSA-N 1 0 329.444 2.588 40 0 EFABRO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009426318 211082813 /nfs/dbraw/zinc/08/28/13/211082813.db2.gz YWJPGDKBNKRENO-CZUORRHYSA-N 1 0 339.399 2.571 40 0 EFABRO C[C@H](CO)[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101100 218281731 /nfs/dbraw/zinc/28/17/31/218281731.db2.gz GHGRLXQXHXTUFU-GOSISDBHSA-N 1 0 343.467 2.873 40 0 EFABRO COc1ccc(C(=O)Nc2nnc(CC[NH+]3CCCCC3)s2)cc1 ZINC000095116127 218282231 /nfs/dbraw/zinc/28/22/31/218282231.db2.gz RAMOJTOWMOWRKW-UHFFFAOYSA-N 1 0 346.456 2.827 40 0 EFABRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000095400045 218333337 /nfs/dbraw/zinc/33/33/37/218333337.db2.gz WGZOUMLDLMNRQY-MNEFBYGVSA-N 1 0 341.455 2.559 40 0 EFABRO C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000095421323 218363266 /nfs/dbraw/zinc/36/32/66/218363266.db2.gz VSYUIROFCKOOBU-HZMBPMFUSA-N 1 0 327.306 2.759 40 0 EFABRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000095426317 218368254 /nfs/dbraw/zinc/36/82/54/218368254.db2.gz SPBNWQRTKPORIY-FQEVSTJZSA-N 1 0 338.451 2.764 40 0 EFABRO Cc1ccc(O)c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000095461557 218401938 /nfs/dbraw/zinc/40/19/38/218401938.db2.gz DPQDJOCIBXNMBK-UHFFFAOYSA-N 1 0 340.423 2.910 40 0 EFABRO CC(C)(C)OC(=O)N1CCC(=O)[C@@H]2[C@H](C1)[NH2+]C[C@H]2c1ccccc1 ZINC000095951366 218459619 /nfs/dbraw/zinc/45/96/19/218459619.db2.gz KXOLUHUGZLWYPO-ZOBUZTSGSA-N 1 0 330.428 2.568 40 0 EFABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CCCC2)C3)cc1 ZINC000096112882 218609254 /nfs/dbraw/zinc/60/92/54/218609254.db2.gz HTSBMMRTTKMAPZ-KRWDZBQOSA-N 1 0 327.428 2.990 40 0 biogenic,in-vitro EFABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061402 284873313 /nfs/dbraw/zinc/87/33/13/284873313.db2.gz SBEGMQAREYLXRH-GOSISDBHSA-N 1 0 339.414 2.859 40 0 EFABRO CCC[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2CCOC ZINC000096199688 218671025 /nfs/dbraw/zinc/67/10/25/218671025.db2.gz XJOBJWKMONTUJQ-GOSISDBHSA-N 1 0 330.472 2.894 40 0 EFABRO COc1ncccc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC000096220424 218696301 /nfs/dbraw/zinc/69/63/01/218696301.db2.gz OVWYKWZOYRTJPB-QGZVFWFLSA-N 1 0 332.444 2.640 40 0 EFABRO Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n2ncnc2n1 ZINC000096403951 218753245 /nfs/dbraw/zinc/75/32/45/218753245.db2.gz JPUNDEDXFMTMNS-INIZCTEOSA-N 1 0 328.464 2.525 40 0 EFABRO COCC[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1CC1)c1ccccc1O2 ZINC000096242764 285014137 /nfs/dbraw/zinc/01/41/37/285014137.db2.gz PBYBOOHHKYKGLH-QGZVFWFLSA-N 1 0 344.455 2.517 40 0 EFABRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000096479296 218855086 /nfs/dbraw/zinc/85/50/86/218855086.db2.gz UACXPIDYKPNTLN-SWLSCSKDSA-N 1 0 328.503 2.994 40 0 EFABRO C[N@H+](C1CCCC1)C(C)(C)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000096488961 218865864 /nfs/dbraw/zinc/86/58/64/218865864.db2.gz GGDICEHNTRNDDX-UHFFFAOYSA-N 1 0 341.459 2.918 40 0 EFABRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc2c(c1)NC(=O)CO2 ZINC000096491008 218868041 /nfs/dbraw/zinc/86/80/41/218868041.db2.gz DMGKFGDHNPXNTC-CYBMUJFWSA-N 1 0 338.407 2.846 40 0 EFABRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc2c(c1)NC(=O)CO2 ZINC000096491006 218868148 /nfs/dbraw/zinc/86/81/48/218868148.db2.gz DMGKFGDHNPXNTC-ZDUSSCGKSA-N 1 0 338.407 2.846 40 0 EFABRO COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000005141057 210398254 /nfs/dbraw/zinc/39/82/54/210398254.db2.gz IYLRRIUNGGQRTN-NWRWZVFGSA-N 1 0 338.451 2.930 40 0 EFABRO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004996566 210353859 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O=C1CCCN1c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000155136174 224364124 /nfs/dbraw/zinc/36/41/24/224364124.db2.gz JBELZLPJKHNLNK-UHFFFAOYSA-N 1 0 330.428 2.589 40 0 EFABRO CCN1CC[C@@H]([NH2+]C2CCN(C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370730 285375948 /nfs/dbraw/zinc/37/59/48/285375948.db2.gz VGCPTLVXNDXEMQ-SJLPKXTDSA-N 1 0 341.421 2.923 40 0 EFABRO c1cnc(N2CCC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)nc1 ZINC000253370102 285545283 /nfs/dbraw/zinc/54/52/83/285545283.db2.gz MDXZKDSZGCEUNV-BRSBDYLESA-N 1 0 342.487 2.630 40 0 EFABRO Cc1ccc([C@H](O)CN2CCO[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000036734421 292261094 /nfs/dbraw/zinc/26/10/94/292261094.db2.gz BOPTVRBZIJZKMO-UYAOXDASSA-N 1 0 332.488 2.524 40 0 EFABRO COc1ccccc1C1(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000097230736 286494846 /nfs/dbraw/zinc/49/48/46/286494846.db2.gz XHQLIXZAALMHJN-OAHLLOKOSA-N 1 0 337.485 2.674 40 0 EFABRO O=C(NCC[C@H]1CCC[NH2+]C1)c1c(F)cccc1Br ZINC000122435815 222088429 /nfs/dbraw/zinc/08/84/29/222088429.db2.gz GIMDSWZKTQMYGN-SNVBAGLBSA-N 1 0 329.213 2.708 40 0 EFABRO Cc1cccc(NC[C@@H]2CCN(c3ncncc3Br)C2)[nH+]1 ZINC000123791485 222332998 /nfs/dbraw/zinc/33/29/98/222332998.db2.gz GJARZALVWUDKBP-LBPRGKRZSA-N 1 0 348.248 2.881 40 0 EFABRO C[N@H+](CCC1OCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000123912961 222351933 /nfs/dbraw/zinc/35/19/33/222351933.db2.gz UDUITLRQYCVITD-ZFWWWQNUSA-N 1 0 332.227 2.646 40 0 EFABRO COc1cccc(Cl)c1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000276753625 267042831 /nfs/dbraw/zinc/04/28/31/267042831.db2.gz IBAJMEGQFMPFLB-NSHDSACASA-N 1 0 331.865 2.652 40 0 EFABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[NH2+]1 ZINC000072352970 274035754 /nfs/dbraw/zinc/03/57/54/274035754.db2.gz MGXWUGVCSOHZFS-ZDUSSCGKSA-N 1 0 332.469 2.962 40 0 EFABRO CO[C@H]1CC[N@H+](Cc2cccs2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109480 274080795 /nfs/dbraw/zinc/08/07/95/274080795.db2.gz SWNHRRTYWNZJDG-OTWHNJEPSA-N 1 0 343.496 2.864 40 0 EFABRO COc1ncccc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC000096220422 274170003 /nfs/dbraw/zinc/17/00/03/274170003.db2.gz OVWYKWZOYRTJPB-KRWDZBQOSA-N 1 0 332.444 2.640 40 0 EFABRO [NH3+][C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217926604 274960626 /nfs/dbraw/zinc/96/06/26/274960626.db2.gz DAILXBGNKDRPOR-KFWWJZLASA-N 1 0 325.792 2.746 40 0 EFABRO O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000135455735 275010530 /nfs/dbraw/zinc/01/05/30/275010530.db2.gz KOKBAMHDXOFCSN-HNNXBMFYSA-N 1 0 329.375 2.791 40 0 EFABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096049333 275014275 /nfs/dbraw/zinc/01/42/75/275014275.db2.gz CAOWXXVPGZHUNN-UHFFFAOYSA-N 1 0 325.412 2.945 40 0 EFABRO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000190341479 275389629 /nfs/dbraw/zinc/38/96/29/275389629.db2.gz WOJNSHXZNQOEBQ-UHFFFAOYSA-N 1 0 327.490 2.518 40 0 EFABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000035622927 275522676 /nfs/dbraw/zinc/52/26/76/275522676.db2.gz PVHYSIRBQBWLRV-CABCVRRESA-N 1 0 339.867 2.939 40 0 EFABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1nccn1C)CC2 ZINC000096159360 276739833 /nfs/dbraw/zinc/73/98/33/276739833.db2.gz JETMXZXTXIEHTQ-UHFFFAOYSA-N 1 0 332.492 2.671 40 0 EFABRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000195554847 277155295 /nfs/dbraw/zinc/15/52/95/277155295.db2.gz KJZIICMAGKMOKZ-XYJFISCASA-N 1 0 343.471 2.678 40 0 EFABRO COc1ccccc1CN1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000248123447 278049849 /nfs/dbraw/zinc/04/98/49/278049849.db2.gz GFFVJLGHFVUKBU-IBGZPJMESA-N 1 0 340.471 2.935 40 0 EFABRO COc1ncccc1CN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC000096201214 278095164 /nfs/dbraw/zinc/09/51/64/278095164.db2.gz RQUFDMFGVWJSRJ-OAHLLOKOSA-N 1 0 343.475 2.704 40 0 EFABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000022927591 278439314 /nfs/dbraw/zinc/43/93/14/278439314.db2.gz UPAMDOYRFUOKHL-DOMZBBRYSA-N 1 0 339.867 2.939 40 0 EFABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000255995586 278439320 /nfs/dbraw/zinc/43/93/20/278439320.db2.gz PVHYSIRBQBWLRV-HUUCEWRRSA-N 1 0 339.867 2.939 40 0 EFABRO Cc1ccc2occ([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c(=O)c2c1 ZINC000012550493 278907905 /nfs/dbraw/zinc/90/79/05/278907905.db2.gz CJLLYQVEKOQWFP-KRWDZBQOSA-N 1 0 345.362 2.547 40 0 EFABRO Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)nc1 ZINC000096158681 279014740 /nfs/dbraw/zinc/01/47/40/279014740.db2.gz JLIHAJVFFYUARQ-INIZCTEOSA-N 1 0 342.443 2.638 40 0 EFABRO Cc1cc(=O)n2c(n1)NC(=[NH+]C1CCCCC1)N[C@@H]2c1ccccc1 ZINC000101983222 280305732 /nfs/dbraw/zinc/30/57/32/280305732.db2.gz SUZKFBJRQCKGAY-KRWDZBQOSA-N 1 0 337.427 2.802 40 0 EFABRO Cc1ccc2occ([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c(=O)c2c1 ZINC000012550491 281183620 /nfs/dbraw/zinc/18/36/20/281183620.db2.gz CJLLYQVEKOQWFP-QGZVFWFLSA-N 1 0 345.362 2.547 40 0 EFABRO CC[C@]1(C)CN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCO1 ZINC000249055062 281319439 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Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000155760203 302185489 /nfs/dbraw/zinc/18/54/89/302185489.db2.gz MOCQSSHZFYTMEI-MJGOQNOKSA-N 1 0 332.488 2.916 40 0 EFABRO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085787230 302217105 /nfs/dbraw/zinc/21/71/05/302217105.db2.gz KQUQAUJKYOFORL-FUHWJXTLSA-N 1 0 336.501 2.804 40 0 EFABRO Clc1ccc(C[N@@H+]2CCCN(c3ncnc4n[nH]cc43)CC2)cc1 ZINC000301095912 311118671 /nfs/dbraw/zinc/11/86/71/311118671.db2.gz VLLNSPUXMAAXRZ-UHFFFAOYSA-N 1 0 342.834 2.719 40 0 EFABRO FC(F)(F)c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000302784486 311201102 /nfs/dbraw/zinc/20/11/02/311201102.db2.gz UUQPARUPAVDAHD-UHFFFAOYSA-N 1 0 335.395 2.711 40 0 EFABRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000329876450 311295839 /nfs/dbraw/zinc/29/58/39/311295839.db2.gz IALZZPHNXWBICJ-INIZCTEOSA-N 1 0 332.492 2.845 40 0 EFABRO OC[C@H]1CCCN(c2cc(N[C@H]3CCCC(F)(F)C3)ncn2)C1 ZINC000330172170 311308154 /nfs/dbraw/zinc/30/81/54/311308154.db2.gz GDIXWYDDDJORFA-STQMWFEESA-N 1 0 326.391 2.675 40 0 EFABRO C[C@H]1C[C@@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC[N@@H+]1C ZINC000331618469 311397975 /nfs/dbraw/zinc/39/79/75/311397975.db2.gz SXUVCMSKTKTWHH-IUCAKERBSA-N 1 0 329.326 2.687 40 0 EFABRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000333646449 311640790 /nfs/dbraw/zinc/64/07/90/311640790.db2.gz JAYAWJODNLQVRH-CKEIUWERSA-N 1 0 341.459 2.927 40 0 EFABRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230727 323213851 /nfs/dbraw/zinc/21/38/51/323213851.db2.gz XUJUSWYKPOFPKS-GDBMZVCRSA-N 1 0 342.480 2.516 40 0 EFABRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230708 323213940 /nfs/dbraw/zinc/21/39/40/323213940.db2.gz HCARPXJLPRLOCA-KGLIPLIRSA-N 1 0 344.908 2.722 40 0 EFABRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230706 323214024 /nfs/dbraw/zinc/21/40/24/323214024.db2.gz HCARPXJLPRLOCA-UONOGXRCSA-N 1 0 344.908 2.722 40 0 EFABRO 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ZINC000096051174 473275300 /nfs/dbraw/zinc/27/53/00/473275300.db2.gz INSPKZCILPDKQD-INIZCTEOSA-N 1 0 334.370 2.807 40 0 EFABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096051702 473275320 /nfs/dbraw/zinc/27/53/20/473275320.db2.gz FPMYFGMRUTVJOJ-GOSISDBHSA-N 1 0 338.455 2.595 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cs1 ZINC000096055034 473279707 /nfs/dbraw/zinc/27/97/07/473279707.db2.gz JHQVMIFJKJYNCS-ROUUACIJSA-N 1 0 329.469 2.618 40 0 EFABRO O=C([C@H]1C[N@H+](Cc2cccs2)CC12CCOCC2)N1CCCC1 ZINC000096052173 473275469 /nfs/dbraw/zinc/27/54/69/473275469.db2.gz WRVAIJVKHHVILV-MRXNPFEDSA-N 1 0 334.485 2.599 40 0 EFABRO Cc1cccc(C(=O)N2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)n1 ZINC000096053890 473276481 /nfs/dbraw/zinc/27/64/81/473276481.db2.gz HRFYXYRLECEFNU-IRXDYDNUSA-N 1 0 339.414 2.733 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1 ZINC000096055833 473279602 /nfs/dbraw/zinc/27/96/02/473279602.db2.gz JLQPJZBUPOADNE-SJORKVTESA-N 1 0 343.452 2.641 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@H](C(=O)NC(C)C)C3(C2)CCOCC3)s1 ZINC000096052099 473276532 /nfs/dbraw/zinc/27/65/32/473276532.db2.gz LIRDJNRXNAWALF-MRXNPFEDSA-N 1 0 336.501 2.810 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055113 473279644 /nfs/dbraw/zinc/27/96/44/473279644.db2.gz VCDMXQBQZCWDQR-IRXDYDNUSA-N 1 0 329.469 2.618 40 0 EFABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096055898 473278092 /nfs/dbraw/zinc/27/80/92/473278092.db2.gz UVTWVZUZVUPLDF-LPHOPBHVSA-N 1 0 334.460 2.765 40 0 EFABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096057140 473281164 /nfs/dbraw/zinc/28/11/64/473281164.db2.gz HQTKSXOIQGDONB-UHOSZYNNSA-N 1 0 330.428 2.984 40 0 EFABRO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]2O1 ZINC000096058251 473282157 /nfs/dbraw/zinc/28/21/57/473282157.db2.gz DJHXZKKFPLRHME-RRQGHBQHSA-N 1 0 334.485 2.786 40 0 EFABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)cs1 ZINC000096056583 473282233 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VYZHZOOAFIUECN-MRXNPFEDSA-N 1 0 341.411 2.701 40 0 EFABRO COCCN1C(=O)CCC12CCC([NH2+]Cc1ccc(OC)cc1)CC2 ZINC000096075838 473291335 /nfs/dbraw/zinc/29/13/35/473291335.db2.gz SXUYFIUINFKFQX-UHFFFAOYSA-N 1 0 346.471 2.735 40 0 EFABRO c1csc(N2CCOCC3(CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000096078266 473291980 /nfs/dbraw/zinc/29/19/80/473291980.db2.gz LRMBOSLVSIKAPC-UHFFFAOYSA-N 1 0 344.484 2.657 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cncc(C)c1)CC2 ZINC000096078389 473292028 /nfs/dbraw/zinc/29/20/28/473292028.db2.gz OHQKYOAEMBPNQH-SFHVURJKSA-N 1 0 345.487 2.742 40 0 EFABRO Cc1occc1C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC000096087582 473293549 /nfs/dbraw/zinc/29/35/49/473293549.db2.gz SDMGQKMEXPFXCZ-CYBMUJFWSA-N 1 0 330.432 2.842 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC000096108076 473300370 /nfs/dbraw/zinc/30/03/70/473300370.db2.gz DTMUDHDPSCKKHK-GDBMZVCRSA-N 1 0 346.452 2.623 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109018 473301732 /nfs/dbraw/zinc/30/17/32/473301732.db2.gz ZEXACSHDSQAHJI-QAPCUYQASA-N 1 0 345.468 2.512 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)s1 ZINC000096108448 473301820 /nfs/dbraw/zinc/30/18/20/473301820.db2.gz RFIKLGJBMXEZPN-KDOFPFPSSA-N 1 0 346.452 2.528 40 0 EFABRO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000096109173 473302745 /nfs/dbraw/zinc/30/27/45/473302745.db2.gz HETANMLPTAVGCU-APWZRJJASA-N 1 0 334.435 2.533 40 0 EFABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2)c1ccsc1 ZINC000096108462 473302960 /nfs/dbraw/zinc/30/29/60/473302960.db2.gz PRZRRFXKFHMXPJ-PBHICJAKSA-N 1 0 348.493 2.688 40 0 EFABRO O=C(NCC1CC1)[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000096111108 473303235 /nfs/dbraw/zinc/30/32/35/473303235.db2.gz PPHMEFYLWRJMFB-GOSISDBHSA-N 1 0 346.446 2.866 40 0 EFABRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)cs1 ZINC000096110712 473303363 /nfs/dbraw/zinc/30/33/63/473303363.db2.gz JTFPBIUNGOFQKK-LSDHHAIUSA-N 1 0 333.482 2.888 40 0 EFABRO c1cc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)ccn1 ZINC000096110845 473303855 /nfs/dbraw/zinc/30/38/55/473303855.db2.gz JZJBXUOYSIJMPJ-UXHICEINSA-N 1 0 339.439 2.817 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107616 473300089 /nfs/dbraw/zinc/30/00/89/473300089.db2.gz BZLDQHQWNPSQBO-WMZOPIPTSA-N 1 0 345.468 2.797 40 0 EFABRO Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccncc1F)COC3 ZINC000096112838 473305747 /nfs/dbraw/zinc/30/57/47/473305747.db2.gz WXZUIPKVYGSDAM-AWEZNQCLSA-N 1 0 326.375 2.740 40 0 biogenic,in-vitro EFABRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1sccc1Br ZINC000185039824 473308853 /nfs/dbraw/zinc/30/88/53/473308853.db2.gz FEHJZBXPYDPEGJ-UHFFFAOYSA-N 1 0 340.308 2.814 40 0 EFABRO C[N@H+](Cc1cccnc1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096159248 473319525 /nfs/dbraw/zinc/31/95/25/473319525.db2.gz RERRGFIJWZTWBH-UHFFFAOYSA-N 1 0 341.434 2.892 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)s1 ZINC000096160337 473320036 /nfs/dbraw/zinc/32/00/36/473320036.db2.gz FXMNTOFPJLRWJJ-SJLPKXTDSA-N 1 0 347.484 2.703 40 0 EFABRO Cn1cccc1C[N@@H+]1CCC2(C1)CCN(Cc1nccs1)CC2 ZINC000096157580 473316047 /nfs/dbraw/zinc/31/60/47/473316047.db2.gz PQBNMYBVZFIANS-UHFFFAOYSA-N 1 0 330.501 2.970 40 0 EFABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096157642 473316450 /nfs/dbraw/zinc/31/64/50/473316450.db2.gz MWNATWZYIJLIGB-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCN(c4cncnc4)C3=O)CC2)cc1 ZINC000096157914 473317666 /nfs/dbraw/zinc/31/76/66/473317666.db2.gz JFPPRTSGBICJBR-UHFFFAOYSA-N 1 0 336.439 2.804 40 0 EFABRO Cn1cccc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC000096158452 473317683 /nfs/dbraw/zinc/31/76/83/473317683.db2.gz UZNPGDWPOJHKDJ-UHFFFAOYSA-N 1 0 325.460 2.698 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000096157952 473317895 /nfs/dbraw/zinc/31/78/95/473317895.db2.gz YIILFRVUAJPXPA-UHFFFAOYSA-N 1 0 338.455 2.748 40 0 EFABRO Cc1ccc(C(=O)N2CCC3(CC([NH+]4CCOCC4)C3)CC2)cc1 ZINC000096159240 473318101 /nfs/dbraw/zinc/31/81/01/473318101.db2.gz NPUGGBAOUZBLJC-UHFFFAOYSA-N 1 0 328.456 2.712 40 0 EFABRO O=C1COC2(CC[NH+](Cc3ccncc3)CC2)CN1c1ccsc1 ZINC000096159161 473318568 /nfs/dbraw/zinc/31/85/68/473318568.db2.gz JAFJROAYPDVCBD-UHFFFAOYSA-N 1 0 343.452 2.541 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158243 473318799 /nfs/dbraw/zinc/31/87/99/473318799.db2.gz BEIJTJUMNBSURV-GOSISDBHSA-N 1 0 327.432 2.574 40 0 EFABRO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000162250641 473321471 /nfs/dbraw/zinc/32/14/71/473321471.db2.gz YCTSGECCNXKDNE-HZPDHXFCSA-N 1 0 330.476 2.989 40 0 EFABRO CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 ZINC000096185635 473325662 /nfs/dbraw/zinc/32/56/62/473325662.db2.gz GGGBCNNJGOTMOJ-SQNIBIBYSA-N 1 0 345.516 2.713 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)n1 ZINC000096184760 473326685 /nfs/dbraw/zinc/32/66/85/473326685.db2.gz JKSXIGUUZKOJBL-ZWKOTPCHSA-N 1 0 341.480 2.869 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)o1 ZINC000096186983 473328908 /nfs/dbraw/zinc/32/89/08/473328908.db2.gz GWXGOAZCBOQBMM-KURKYZTESA-N 1 0 341.411 2.744 40 0 EFABRO Cc1ccc(CN2Cc3nccn3C[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000096188347 473331106 /nfs/dbraw/zinc/33/11/06/473331106.db2.gz VZCQVQFBCMQXBN-INIZCTEOSA-N 1 0 330.501 2.981 40 0 EFABRO Cc1cccc(C[N@H+]2CCc3ncc(CNc4ccccn4)n3CC2)n1 ZINC000096197108 473332050 /nfs/dbraw/zinc/33/20/50/473332050.db2.gz DFSSSZUMEKIUMW-UHFFFAOYSA-N 1 0 348.454 2.652 40 0 EFABRO Cc1cccc(Cn2c(=O)ccc3c2CC[N@H+](Cc2ccoc2)CC3)n1 ZINC000096196728 473332180 /nfs/dbraw/zinc/33/21/80/473332180.db2.gz WSKNLPDFDHOJCJ-UHFFFAOYSA-N 1 0 349.434 2.794 40 0 EFABRO Cc1ccc(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)s1 ZINC000096196937 473332480 /nfs/dbraw/zinc/33/24/80/473332480.db2.gz VWLGKYUNYKRWJF-UHFFFAOYSA-N 1 0 327.457 2.556 40 0 EFABRO COc1ccc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC000096197216 473332649 /nfs/dbraw/zinc/33/26/49/473332649.db2.gz ILUZSWFRKJORCK-UHFFFAOYSA-N 1 0 326.444 2.503 40 0 EFABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096199696 473335727 /nfs/dbraw/zinc/33/57/27/473335727.db2.gz YSDFWAFEMSXFJZ-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202177 473337904 /nfs/dbraw/zinc/33/79/04/473337904.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 1 0 343.496 2.868 40 0 EFABRO Cc1noc(C)c1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC000096201207 473338211 /nfs/dbraw/zinc/33/82/11/473338211.db2.gz JQQYHIVJFRDEER-CQSZACIVSA-N 1 0 331.464 2.905 40 0 EFABRO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202176 473338283 /nfs/dbraw/zinc/33/82/83/473338283.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 1 0 343.496 2.868 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096202301 473338334 /nfs/dbraw/zinc/33/83/34/473338334.db2.gz QLOTZQPMBFTXSR-GOSISDBHSA-N 1 0 344.484 2.575 40 0 EFABRO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096202248 473338376 /nfs/dbraw/zinc/33/83/76/473338376.db2.gz BOTPYAIURMYQPX-FQEVSTJZSA-N 1 0 338.455 2.514 40 0 EFABRO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202174 473338746 /nfs/dbraw/zinc/33/87/46/473338746.db2.gz CJDHKKPXXYWLED-KRWDZBQOSA-N 1 0 349.525 2.929 40 0 EFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)[C@H]2C ZINC000096201221 473338908 /nfs/dbraw/zinc/33/89/08/473338908.db2.gz MRRCJFSNTLVCNK-AWEZNQCLSA-N 1 0 346.500 2.931 40 0 EFABRO c1csc(CN2CCOC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339346 /nfs/dbraw/zinc/33/93/46/473339346.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 1 0 343.496 2.868 40 0 EFABRO COC[C@@H]1C(=O)N(c2ccccc2)CC12CC[NH+](CC1CC1)CC2 ZINC000096206126 473340027 /nfs/dbraw/zinc/34/00/27/473340027.db2.gz CGDOIKCVIANASR-GOSISDBHSA-N 1 0 328.456 2.788 40 0 EFABRO CCOC[C@@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)[N@@H+]1C ZINC000096206686 473340754 /nfs/dbraw/zinc/34/07/54/473340754.db2.gz QBUMIMSOMYQVLY-SFHVURJKSA-N 1 0 330.472 2.721 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21)Nc1cccnc1 ZINC000096206086 473340811 /nfs/dbraw/zinc/34/08/11/473340811.db2.gz IDNVGSQIPKAFTO-NXHRZFHOSA-N 1 0 341.411 2.540 40 0 EFABRO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cnn(C)c1)C2 ZINC000096206021 473340881 /nfs/dbraw/zinc/34/08/81/473340881.db2.gz PNBJGHLMKCJNKS-UXHICEINSA-N 1 0 340.471 2.942 40 0 EFABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1)c1ccsc1 ZINC000096206469 473341072 /nfs/dbraw/zinc/34/10/72/473341072.db2.gz ULFQHPAOCCLDGC-FUHWJXTLSA-N 1 0 346.452 2.895 40 0 EFABRO CO[C@@H]1CCN(C(=O)c2cccs2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096206854 473341090 /nfs/dbraw/zinc/34/10/90/473341090.db2.gz JEKZFWVYSLBXFK-ARFHVFGLSA-N 1 0 346.452 2.703 40 0 EFABRO Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000096207966 473341887 /nfs/dbraw/zinc/34/18/87/473341887.db2.gz XOHKKWDFTMIGRX-MOPGFXCFSA-N 1 0 326.444 2.634 40 0 EFABRO CC(C)C(=O)NCC[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000096208099 473342018 /nfs/dbraw/zinc/34/20/18/473342018.db2.gz FNMIMYHLLNYRMJ-QUCCMNQESA-N 1 0 348.462 2.969 40 0 EFABRO CCOc1cccc(C(=O)N2CCC3(CC[C@@H](COC)[N@@H+]3C)CC2)c1 ZINC000096208029 473342140 /nfs/dbraw/zinc/34/21/40/473342140.db2.gz XKHOEWMIQGTPAP-KRWDZBQOSA-N 1 0 346.471 2.801 40 0 EFABRO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)nc1 ZINC000096209182 473344402 /nfs/dbraw/zinc/34/44/02/473344402.db2.gz CRSSZNAWIVKVIO-PMACEKPBSA-N 1 0 339.439 2.817 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096208921 473344833 /nfs/dbraw/zinc/34/48/33/473344833.db2.gz GJLAIWLRIINWRM-WBVHZDCISA-N 1 0 331.441 2.659 40 0 EFABRO CO[C@H]1CCN(Cc2nc(C)cs2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096209285 473345248 /nfs/dbraw/zinc/34/52/48/473345248.db2.gz BQZYEIBVBKTPNM-BBWFWOEESA-N 1 0 347.484 2.766 40 0 EFABRO Cc1nnc([C@@H]2CO[C@@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@@H]32)o1 ZINC000096209634 473345697 /nfs/dbraw/zinc/34/56/97/473345697.db2.gz LIFYJNMYCWEINZ-JFIYKMOQSA-N 1 0 336.395 2.541 40 0 EFABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000096215511 473346296 /nfs/dbraw/zinc/34/62/96/473346296.db2.gz URAHVALKTLKGFF-HNAYVOBHSA-N 1 0 334.435 2.565 40 0 EFABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2O1)NCc1cccs1 ZINC000096216132 473346822 /nfs/dbraw/zinc/34/68/22/473346822.db2.gz CLJKCFBGUWBISZ-YSVLISHTSA-N 1 0 346.452 2.637 40 0 EFABRO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215387 473347724 /nfs/dbraw/zinc/34/77/24/473347724.db2.gz SFTJIOQXVFSYRU-IBGZPJMESA-N 1 0 332.444 2.634 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(OC)cc1)C2 ZINC000096216482 473348104 /nfs/dbraw/zinc/34/81/04/473348104.db2.gz JRKPDSZNGWBQBG-FPOVZHCZSA-N 1 0 344.499 2.876 40 0 EFABRO CO[C@@H]1CC[N@H+](Cc2ccco2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096218135 473349180 /nfs/dbraw/zinc/34/91/80/473349180.db2.gz ACPBJUUVUNLAHV-RCCFBDPRSA-N 1 0 347.484 2.766 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1OC)C2 ZINC000096217261 473349618 /nfs/dbraw/zinc/34/96/18/473349618.db2.gz DSUZRTPKOLTACE-CTNGQTDRSA-N 1 0 344.499 2.876 40 0 EFABRO COc1cc(N2CCC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)ncn1 ZINC000096216589 473350088 /nfs/dbraw/zinc/35/00/88/473350088.db2.gz BISSPXMZHUEFGG-LJQANCHMSA-N 1 0 330.476 2.968 40 0 EFABRO O=C(NC[C@H]1CCC[C@]2(CC[N@H+](CC3CC3)C2)O1)c1ccsc1 ZINC000096218111 473350100 /nfs/dbraw/zinc/35/01/00/473350100.db2.gz JMKIGXDKVXNKPS-SJLPKXTDSA-N 1 0 334.485 2.902 40 0 EFABRO Cc1nnc([C@H]2CO[C@@H]3C[N@H+](CCOc4ccc(Cl)cc4)C[C@H]23)o1 ZINC000096216841 473350384 /nfs/dbraw/zinc/35/03/84/473350384.db2.gz DCNRTHFAJFKLFX-OWCLPIDISA-N 1 0 349.818 2.525 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096219042 473352067 /nfs/dbraw/zinc/35/20/67/473352067.db2.gz KNKFMFCBSKUHJW-MAUKXSAKSA-N 1 0 328.416 2.532 40 0 EFABRO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4ccco4)C[C@H]23)c1 ZINC000096220358 473353050 /nfs/dbraw/zinc/35/30/50/473353050.db2.gz NQKIASLYPIEHJY-CSMYWGQOSA-N 1 0 334.803 2.854 40 0 EFABRO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CC)C[C@@H]3COC)cc1 ZINC000096220618 473353295 /nfs/dbraw/zinc/35/32/95/473353295.db2.gz XXEMCOMRTJCRNV-UYAOXDASSA-N 1 0 330.472 2.679 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccccc1C)C2 ZINC000096219832 473354195 /nfs/dbraw/zinc/35/41/95/473354195.db2.gz ZYDJULOLJXRJFV-GHTZIAJQSA-N 1 0 342.483 2.816 40 0 EFABRO c1ncn2c1C[N@H+](CC1CCC1)C[C@@H](COCc1ccccn1)C2 ZINC000096219866 473354397 /nfs/dbraw/zinc/35/43/97/473354397.db2.gz KSMLABYYTZIDMD-QGZVFWFLSA-N 1 0 326.444 2.727 40 0 EFABRO Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cncn2C)C3)c1 ZINC000096222751 473354813 /nfs/dbraw/zinc/35/48/13/473354813.db2.gz GABAZHLYABIGGI-QUCCMNQESA-N 1 0 340.471 2.964 40 0 EFABRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccsc4)C3)C2=O)cn1 ZINC000096224624 473355085 /nfs/dbraw/zinc/35/50/85/473355085.db2.gz WZNLTOYESMDDDH-KRWDZBQOSA-N 1 0 330.457 2.501 40 0 EFABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096224313 473355634 /nfs/dbraw/zinc/35/56/34/473355634.db2.gz UBVXIEVVVLHIDX-LJQANCHMSA-N 1 0 325.412 2.689 40 0 EFABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228755 473358353 /nfs/dbraw/zinc/35/83/53/473358353.db2.gz ZRPOCJDFPJMHLT-SFHVURJKSA-N 1 0 336.501 2.640 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)s1 ZINC000096225510 473357369 /nfs/dbraw/zinc/35/73/69/473357369.db2.gz LZEDTEVTCFZQJN-KRWDZBQOSA-N 1 0 335.473 2.644 40 0 EFABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228754 473358765 /nfs/dbraw/zinc/35/87/65/473358765.db2.gz ZRPOCJDFPJMHLT-GOSISDBHSA-N 1 0 336.501 2.640 40 0 EFABRO O=C(c1cccs1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228811 473359398 /nfs/dbraw/zinc/35/93/98/473359398.db2.gz MBPWLKURJKOKIT-GOSISDBHSA-N 1 0 334.485 2.713 40 0 EFABRO FC1(F)CC[N@@H+](C2CCOCC2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239600 473362315 /nfs/dbraw/zinc/36/23/15/473362315.db2.gz CLNJPPVBOFYZRL-KRWDZBQOSA-N 1 0 337.414 2.798 40 0 EFABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](CCc1ccccc1)CC2 ZINC000096261174 473367632 /nfs/dbraw/zinc/36/76/32/473367632.db2.gz FCOCNSGVTNMNNM-IBGZPJMESA-N 1 0 335.451 2.762 40 0 EFABRO c1coc(C[N@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249373 473363834 /nfs/dbraw/zinc/36/38/34/473363834.db2.gz PNQTYYMGKCOXSE-OALUTQOASA-N 1 0 327.428 2.540 40 0 EFABRO O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245565 473364454 /nfs/dbraw/zinc/36/44/54/473364454.db2.gz OAHKYJBBMWDKNQ-CALCHBBNSA-N 1 0 341.842 2.939 40 0 EFABRO Cc1nc(CN2CCO[C@@H]3CC[N@H+](Cc4ccco4)CC[C@@H]32)cs1 ZINC000096249402 473364475 /nfs/dbraw/zinc/36/44/75/473364475.db2.gz RFZHUHIOIKVRKC-ZWKOTPCHSA-N 1 0 347.484 2.910 40 0 EFABRO Cc1ccc(Nc2ncnc3c2CC[N@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000096255826 473366351 /nfs/dbraw/zinc/36/63/51/473366351.db2.gz WQIPOSCXOAZSCC-INIZCTEOSA-N 1 0 338.455 2.966 40 0 EFABRO Cn1nc(C[NH+]2CCCC2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000096255904 473366584 /nfs/dbraw/zinc/36/65/84/473366584.db2.gz RKZWFZFIHIEVPE-UHFFFAOYSA-N 1 0 328.435 2.713 40 0 EFABRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096261147 473368036 /nfs/dbraw/zinc/36/80/36/473368036.db2.gz XNWFXWGRUQWEOZ-HKUYNNGSSA-N 1 0 342.483 2.894 40 0 EFABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](CC(C)C)CC2 ZINC000096260518 473368336 /nfs/dbraw/zinc/36/83/36/473368336.db2.gz FBHOEWDWUAFUEY-UHFFFAOYSA-N 1 0 346.519 2.908 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)o1 ZINC000096261164 473368437 /nfs/dbraw/zinc/36/84/37/473368437.db2.gz JSTYXJRJUYFKEI-SFHVURJKSA-N 1 0 339.439 2.964 40 0 EFABRO Cc1cccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)n1 ZINC000096296294 473372802 /nfs/dbraw/zinc/37/28/02/473372802.db2.gz VWGUUMQHTXFQSL-SFHVURJKSA-N 1 0 334.423 2.942 40 0 biogenic,in-vitro EFABRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(N(C)C)nc3)C2)CC1 ZINC000096402557 473379130 /nfs/dbraw/zinc/37/91/30/473379130.db2.gz NZUFSBZKYORSMF-KRWDZBQOSA-N 1 0 344.503 2.732 40 0 EFABRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000096403563 473380094 /nfs/dbraw/zinc/38/00/94/473380094.db2.gz ZZFPVYYLGIKGMS-SFHVURJKSA-N 1 0 346.446 2.571 40 0 EFABRO Cc1cccc(C)c1OCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000096407744 473385144 /nfs/dbraw/zinc/38/51/44/473385144.db2.gz NHIAWQGILCDSGU-FQEVSTJZSA-N 1 0 345.531 2.784 40 0 EFABRO CCn1c(C)[n+](C[C@H](O)COc2cccc(OC)c2)c2ccccc21 ZINC000000316261 471346705 /nfs/dbraw/zinc/34/67/05/471346705.db2.gz WANZZHHVZZCVKI-INIZCTEOSA-N 1 0 341.431 2.706 40 0 EFABRO Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1ccc(F)cc1)cn2C ZINC000000316288 471346768 /nfs/dbraw/zinc/34/67/68/471346768.db2.gz BFIFWBCMXPXJFO-MRXNPFEDSA-N 1 0 329.395 2.662 40 0 EFABRO CCn1c[n+](C[C@@H](O)COc2ccc(C(C)=O)cc2)c2ccccc21 ZINC000000316270 471346975 /nfs/dbraw/zinc/34/69/75/471346975.db2.gz CRTQKLAPPQPGGO-QGZVFWFLSA-N 1 0 339.415 2.591 40 0 EFABRO CC[C@@H](CO)[NH2+]C[C@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000000571469 471371244 /nfs/dbraw/zinc/37/12/44/471371244.db2.gz SQXKNNSAQFRJHY-HOTGVXAUSA-N 1 0 330.472 2.550 40 0 EFABRO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000000785805 471376120 /nfs/dbraw/zinc/37/61/20/471376120.db2.gz YGHIEDWIVKYTLT-UHFFFAOYSA-N 1 0 334.460 2.784 40 0 EFABRO COc1cccc(-c2cc3nc(C)c(C)c(NCC[NH+](C)C)n3n2)c1 ZINC000001340846 471386117 /nfs/dbraw/zinc/38/61/17/471386117.db2.gz OQWJYBSYLBFJFS-UHFFFAOYSA-N 1 0 339.443 2.995 40 0 EFABRO CC(=O)c1ccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000001475539 471392136 /nfs/dbraw/zinc/39/21/36/471392136.db2.gz WPBBXJYMBHPLLZ-QGZVFWFLSA-N 1 0 349.471 2.643 40 0 aggregator EFABRO O=C(OC[C@H]1CCCC[NH2+]1)C(O)(c1ccccc1)c1ccccc1 ZINC000001693013 471396365 /nfs/dbraw/zinc/39/63/65/471396365.db2.gz YKBQGBPXKPOVFM-GOSISDBHSA-N 1 0 325.408 2.608 40 0 EFABRO C[N@@H+]1CCC[C@H](OC(=O)c2ccccc2I)C1 ZINC000003258775 471438790 /nfs/dbraw/zinc/43/87/90/471438790.db2.gz JWNYCJIVZCFMFJ-JTQLQIEISA-N 1 0 345.180 2.542 40 0 EFABRO CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)cc1 ZINC000005396416 471503579 /nfs/dbraw/zinc/50/35/79/471503579.db2.gz RHPOIUJNXFUSBT-UHFFFAOYSA-N 1 0 327.428 2.795 40 0 EFABRO COc1ccc(COC[C@H](O)C[N@H+](C)C2CCCCC2)cc1OC ZINC000006001502 471529720 /nfs/dbraw/zinc/52/97/20/471529720.db2.gz POELIHGDXVFHHB-QGZVFWFLSA-N 1 0 337.460 2.846 40 0 EFABRO C[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006284970 471538264 /nfs/dbraw/zinc/53/82/64/471538264.db2.gz MQPXZHZCCKSKBE-OAHLLOKOSA-N 1 0 331.460 2.773 40 0 EFABRO CCOc1c(Br)cc(CNCCC[NH2+]C)cc1OC ZINC000008253338 471674973 /nfs/dbraw/zinc/67/49/73/471674973.db2.gz UZOGDBCUTBGAKB-UHFFFAOYSA-N 1 0 331.254 2.556 40 0 EFABRO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc(C)nc2)C3)nc1 ZINC000012135292 471764627 /nfs/dbraw/zinc/76/46/27/471764627.db2.gz GUFZYMACALVEMR-UFRUDQCGSA-N 1 0 338.455 2.608 40 0 EFABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012362976 471773940 /nfs/dbraw/zinc/77/39/40/471773940.db2.gz IIUQSJOMJXKGPT-SFHVURJKSA-N 1 0 346.471 2.821 40 0 EFABRO Cc1ccn(CC[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012670716 471788577 /nfs/dbraw/zinc/78/85/77/471788577.db2.gz NLJFZMXGKVWROH-UHFFFAOYSA-N 1 0 342.830 2.990 40 0 EFABRO Cc1ccc(CS(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000013612320 471835070 /nfs/dbraw/zinc/83/50/70/471835070.db2.gz GAOBDYGWLYBQRF-IRXDYDNUSA-N 1 0 338.517 2.782 40 0 EFABRO COc1cc2cc(C[NH2+]Cc3ccc(F)cc3)c(=O)[nH]c2cc1OC ZINC000013999224 471848186 /nfs/dbraw/zinc/84/81/86/471848186.db2.gz XHTTWOHPHLZZOG-UHFFFAOYSA-N 1 0 342.370 2.974 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019082634 471976463 /nfs/dbraw/zinc/97/64/63/471976463.db2.gz JZXZDQJTTFBPOR-AWEZNQCLSA-N 1 0 330.476 2.607 40 0 EFABRO O[C@@H]1C[C@H]2CN(Cc3ccsc3)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372773 471979933 /nfs/dbraw/zinc/97/99/33/471979933.db2.gz DTPXCMUJTPLMIX-CEXWTWQISA-N 1 0 328.481 2.610 40 0 EFABRO CC(C)n1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)c2ccccc21 ZINC000019575320 471981906 /nfs/dbraw/zinc/98/19/06/471981906.db2.gz JXEUDKUXUWNLLD-BPQIPLTHSA-N 1 0 327.472 2.862 40 0 EFABRO CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CC[N@H+](CC(C)(C)C)C2)n1 ZINC000019693752 471983691 /nfs/dbraw/zinc/98/36/91/471983691.db2.gz WLNRFYIBOLVYQI-CQSZACIVSA-N 1 0 342.491 2.779 40 0 EFABRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)nc2sccn12 ZINC000019712520 471984955 /nfs/dbraw/zinc/98/49/55/471984955.db2.gz HRTVIAQOCOWMRI-HUUCEWRRSA-N 1 0 332.473 2.680 40 0 EFABRO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000020680731 471993009 /nfs/dbraw/zinc/99/30/09/471993009.db2.gz WFADLTDLKZGSOQ-HNDBUQABSA-N 1 0 347.503 2.901 40 0 EFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4cc(C)ccc4[nH]3)C2)CC1 ZINC000035446582 471996825 /nfs/dbraw/zinc/99/68/25/471996825.db2.gz KDEVRUQIMRSOMR-HNNXBMFYSA-N 1 0 326.444 2.672 40 0 biogenic,in-vitro EFABRO COC(=O)c1c(C)[nH]c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1C ZINC000024982407 472075399 /nfs/dbraw/zinc/07/53/99/472075399.db2.gz FRHKWHVRDKAYRT-UHFFFAOYSA-N 1 0 349.475 2.803 40 0 EFABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(Cl)Cl ZINC000025464982 472097622 /nfs/dbraw/zinc/09/76/22/472097622.db2.gz ROAKOJPZCODBQM-CQSZACIVSA-N 1 0 327.255 2.961 40 0 EFABRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccccc1 ZINC000075535670 472152926 /nfs/dbraw/zinc/15/29/26/472152926.db2.gz BCLSEIJSGRIEMD-UHFFFAOYSA-N 1 0 339.439 2.965 40 0 EFABRO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000026898329 472154952 /nfs/dbraw/zinc/15/49/52/472154952.db2.gz JCQKPXHKGNJTQQ-FQEVSTJZSA-N 1 0 338.451 2.936 40 0 EFABRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000027530302 472179276 /nfs/dbraw/zinc/17/92/76/472179276.db2.gz RAAQWHZPYFVJFK-PBHICJAKSA-N 1 0 329.396 2.564 40 0 EFABRO C[C@H](Oc1ccccc1)C(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085436272 472248181 /nfs/dbraw/zinc/24/81/81/472248181.db2.gz GKHOBZXTFIIKMI-IRXDYDNUSA-N 1 0 348.512 2.884 40 0 EFABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CCc4ccccc4O3)CC2)C1 ZINC000085557762 472257563 /nfs/dbraw/zinc/25/75/63/472257563.db2.gz HUYDRWKIFTXXBX-QGZVFWFLSA-N 1 0 328.456 2.715 40 0 EFABRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000085584978 472259508 /nfs/dbraw/zinc/25/95/08/472259508.db2.gz LWMWRILSWUDGJH-UHFFFAOYSA-N 1 0 346.475 2.647 40 0 EFABRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000085611717 472261209 /nfs/dbraw/zinc/26/12/09/472261209.db2.gz AWONDOVMGBCQSL-QHCPKHFHSA-N 1 0 343.468 2.615 40 0 EFABRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000085786549 472265999 /nfs/dbraw/zinc/26/59/99/472265999.db2.gz XQDRJLYGENAHLF-UKRRQHHQSA-N 1 0 328.503 2.557 40 0 EFABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000029589824 472283504 /nfs/dbraw/zinc/28/35/04/472283504.db2.gz ZULLGVYRLVMVGA-HXUWFJFHSA-N 1 0 340.467 2.865 40 0 EFABRO Cc1ccc(N2CC[NH+](C[C@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000029589826 472284015 /nfs/dbraw/zinc/28/40/15/472284015.db2.gz ZULLGVYRLVMVGA-FQEVSTJZSA-N 1 0 340.467 2.865 40 0 EFABRO CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000029607140 472284259 /nfs/dbraw/zinc/28/42/59/472284259.db2.gz FUVNSRQSHQLMIL-UHFFFAOYSA-N 1 0 338.455 2.964 40 0 EFABRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000044501416 472312000 /nfs/dbraw/zinc/31/20/00/472312000.db2.gz ZZZFDMSHRTWCON-VIFPVBQESA-N 1 0 331.641 2.832 40 0 EFABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000076367455 472332007 /nfs/dbraw/zinc/33/20/07/472332007.db2.gz MFADYMDLENPFCY-KRWDZBQOSA-N 1 0 340.471 2.783 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCn1ccnc1 ZINC000076387736 472336223 /nfs/dbraw/zinc/33/62/23/472336223.db2.gz CZVSGWYSUOBCKO-SFHVURJKSA-N 1 0 340.471 2.786 40 0 EFABRO Cc1cnn(CCC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000076389554 472336749 /nfs/dbraw/zinc/33/67/49/472336749.db2.gz XQBBRJADVZLQIK-SFHVURJKSA-N 1 0 340.471 2.705 40 0 EFABRO CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc2c(c1)OCO2 ZINC000044869016 472345685 /nfs/dbraw/zinc/34/56/85/472345685.db2.gz XHBHHLVUJFZGIK-UHFFFAOYSA-N 1 0 331.372 2.562 40 0 EFABRO O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069745171 472420023 /nfs/dbraw/zinc/42/00/23/472420023.db2.gz DTXQHRSORKXCTR-AYOQOUSVSA-N 1 0 346.446 2.500 40 0 EFABRO CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C2CC2)no1 ZINC000069762500 472421875 /nfs/dbraw/zinc/42/18/75/472421875.db2.gz BZSXUDHXIINEIN-OAHLLOKOSA-N 1 0 347.463 2.570 40 0 EFABRO O=C(Cc1ccccc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398918 472428548 /nfs/dbraw/zinc/42/85/48/472428548.db2.gz LQECQEWCAIOWRP-UHFFFAOYSA-N 1 0 326.415 2.933 40 0 EFABRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Cl)cc1 ZINC000057456591 472440005 /nfs/dbraw/zinc/44/00/05/472440005.db2.gz XPNFGJRZGALIAO-LLVKDONJSA-N 1 0 335.791 2.610 40 0 EFABRO C[N@H+](CCN[C@@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098751 472445435 /nfs/dbraw/zinc/44/54/35/472445435.db2.gz RFEIESOJRRFCSX-QGZVFWFLSA-N 1 0 336.501 2.759 40 0 EFABRO Cc1cccc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000097096536 472445463 /nfs/dbraw/zinc/44/54/63/472445463.db2.gz GTWMWGDNWGAMFG-GOSISDBHSA-N 1 0 338.455 2.699 40 0 EFABRO Cc1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)on1 ZINC000097100566 472445881 /nfs/dbraw/zinc/44/58/81/472445881.db2.gz AEIHWUQONQVBPV-UHFFFAOYSA-N 1 0 327.428 2.902 40 0 EFABRO C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000097100575 472446489 /nfs/dbraw/zinc/44/64/89/472446489.db2.gz TUHFDIVVJYPRPC-MRXNPFEDSA-N 1 0 340.471 2.900 40 0 EFABRO C[NH+](C)Cc1cccc(NS(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000097103191 472446843 /nfs/dbraw/zinc/44/68/43/472446843.db2.gz RIDHZTNYAJIBOL-UHFFFAOYSA-N 1 0 340.395 2.968 40 0 EFABRO C[C@@H](C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000097103878 472448274 /nfs/dbraw/zinc/44/82/74/472448274.db2.gz QSERULWIWIYMCK-KRWDZBQOSA-N 1 0 347.478 2.559 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(F)c1 ZINC000032729483 472459606 /nfs/dbraw/zinc/45/96/06/472459606.db2.gz KETHDPXFSGAIKF-SJLPKXTDSA-N 1 0 328.387 2.548 40 0 EFABRO CC1(C)C[C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)C(C)(C)O1 ZINC000089624267 472471561 /nfs/dbraw/zinc/47/15/61/472471561.db2.gz PRYFPBWJVKENJO-CYBMUJFWSA-N 1 0 326.387 2.630 40 0 EFABRO C[C@H](c1ccccc1)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000032879838 472477093 /nfs/dbraw/zinc/47/70/93/472477093.db2.gz ZDSWWHIYZVVGNI-GOSISDBHSA-N 1 0 337.467 2.682 40 0 EFABRO c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000128755659 472492323 /nfs/dbraw/zinc/49/23/23/472492323.db2.gz DRWYINRMNGGMMU-CVEARBPZSA-N 1 0 326.448 2.960 40 0 EFABRO Cc1nc([C@H](NC2CC[NH+](C)CC2)c2ccc(Cl)c(F)c2)no1 ZINC000097378242 472495085 /nfs/dbraw/zinc/49/50/85/472495085.db2.gz UGCBBHXFOFAQHL-OAHLLOKOSA-N 1 0 338.814 2.944 40 0 EFABRO CC[NH+](CC)CCn1cc(NC(=O)c2sc(C)cc2OC)cn1 ZINC000070803749 472513729 /nfs/dbraw/zinc/51/37/29/472513729.db2.gz BKDBUJYRLNCPPP-UHFFFAOYSA-N 1 0 336.461 2.856 40 0 EFABRO Cc1cccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000070922041 472523181 /nfs/dbraw/zinc/52/31/81/472523181.db2.gz QBPZZSLLNUUBAH-UHFFFAOYSA-N 1 0 345.468 2.585 40 0 EFABRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000071190462 472545246 /nfs/dbraw/zinc/54/52/46/472545246.db2.gz KHFSWFDYLMPZRV-SNVBAGLBSA-N 1 0 329.213 2.612 40 0 EFABRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)cc2)CCCC1 ZINC000046701478 472587478 /nfs/dbraw/zinc/58/74/78/472587478.db2.gz XVFARCMYBPFEGD-UHFFFAOYSA-N 1 0 339.277 2.982 40 0 EFABRO Fc1ccc(N2CC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)c(F)c1 ZINC000155743335 472607293 /nfs/dbraw/zinc/60/72/93/472607293.db2.gz CCVURZLEMJKOIU-OAHLLOKOSA-N 1 0 338.398 2.819 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCC[NH2+]2)CC1 ZINC000072216444 472634900 /nfs/dbraw/zinc/63/49/00/472634900.db2.gz SGYAYKXEKWFVFV-HNNXBMFYSA-N 1 0 332.448 2.563 40 0 EFABRO CC[NH+]1CCN(c2ccc(CNC(=O)OC(C)(C)C)c(C)n2)CC1 ZINC000072224669 472635039 /nfs/dbraw/zinc/63/50/39/472635039.db2.gz STAJOBMKCAAQBU-UHFFFAOYSA-N 1 0 334.464 2.557 40 0 EFABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)CSCc1ccccc1 ZINC000090608892 472642283 /nfs/dbraw/zinc/64/22/83/472642283.db2.gz RFSSFCRZALDXMP-INIZCTEOSA-N 1 0 338.542 2.816 40 0 EFABRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000090728180 472654810 /nfs/dbraw/zinc/65/48/10/472654810.db2.gz SZRJCXQASWDOMB-RYUDHWBXSA-N 1 0 326.404 2.721 40 0 EFABRO COc1ccccc1[C@@]1(O)CCC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC000072340970 472661773 /nfs/dbraw/zinc/66/17/73/472661773.db2.gz JILHQMTWRIDWPC-CVAIRZPRSA-N 1 0 341.455 2.548 40 0 EFABRO Cn1cc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000156217808 472677847 /nfs/dbraw/zinc/67/78/47/472677847.db2.gz NALKGIBYIXBWKL-SFHVURJKSA-N 1 0 327.432 2.596 40 0 EFABRO COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280563 472751003 /nfs/dbraw/zinc/75/10/03/472751003.db2.gz YWMDSPOCXOKQDJ-KSSFIOAISA-N 1 0 337.485 2.951 40 0 EFABRO COc1ccccc1[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280564 472751318 /nfs/dbraw/zinc/75/13/18/472751318.db2.gz YWMDSPOCXOKQDJ-RDTXWAMCSA-N 1 0 337.485 2.951 40 0 EFABRO COc1cccc([C@@H]2[C@H]([NH2+]C3CCN(C)CC3)CCN2C2CC2)c1 ZINC000157041131 472777561 /nfs/dbraw/zinc/77/75/61/472777561.db2.gz DILBIQPHBVSQLP-WOJBJXKFSA-N 1 0 329.488 2.657 40 0 EFABRO COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1C ZINC000091595310 472781175 /nfs/dbraw/zinc/78/11/75/472781175.db2.gz GXESMGQYKJWSJG-ZFWWWQNUSA-N 1 0 330.384 2.984 40 0 EFABRO CC[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C(N)=O ZINC000079029799 472809065 /nfs/dbraw/zinc/80/90/65/472809065.db2.gz NPHGUWLWSFUGKS-AWEZNQCLSA-N 1 0 344.377 2.607 40 0 EFABRO Cc1ccc([C@@H](CNC(=O)CSc2ccncc2)[NH+](C)C)cc1 ZINC000079122090 472823989 /nfs/dbraw/zinc/82/39/89/472823989.db2.gz PMCPLJMRQQLSCE-QGZVFWFLSA-N 1 0 329.469 2.901 40 0 EFABRO COC(=O)c1cccc(NC(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000048326321 472857669 /nfs/dbraw/zinc/85/76/69/472857669.db2.gz ROLXWCJCGWNFIX-OKILXGFUSA-N 1 0 333.432 2.573 40 0 EFABRO CCOC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048333569 472858961 /nfs/dbraw/zinc/85/89/61/472858961.db2.gz KQJCKDLDEXGKTD-CQSZACIVSA-N 1 0 333.432 2.717 40 0 EFABRO CCOC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048333568 472858999 /nfs/dbraw/zinc/85/89/99/472858999.db2.gz KQJCKDLDEXGKTD-AWEZNQCLSA-N 1 0 333.432 2.717 40 0 EFABRO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000157855678 472865833 /nfs/dbraw/zinc/86/58/33/472865833.db2.gz YXZLIXJEDLBQLP-QFBILLFUSA-N 1 0 344.499 2.962 40 0 EFABRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714693 472898293 /nfs/dbraw/zinc/89/82/93/472898293.db2.gz MRDYSRGTRDKAFA-NHYWBVRUSA-N 1 0 329.366 2.932 40 0 EFABRO Cc1ccc(C)c([C@@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000074003419 472921706 /nfs/dbraw/zinc/92/17/06/472921706.db2.gz ABYUFNBRMKUTED-MRXNPFEDSA-N 1 0 333.476 2.774 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000107207656 472933908 /nfs/dbraw/zinc/93/39/08/472933908.db2.gz WMEFHDBQESZBKI-AOIWGVFYSA-N 1 0 325.412 2.596 40 0 EFABRO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000049170029 472934603 /nfs/dbraw/zinc/93/46/03/472934603.db2.gz ZQPQSIQGXLSQMC-AWEZNQCLSA-N 1 0 342.443 2.629 40 0 biogenic,in-vitro EFABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000107229001 472935078 /nfs/dbraw/zinc/93/50/78/472935078.db2.gz DBIIQEDIFLRMMA-WOJBJXKFSA-N 1 0 339.439 2.988 40 0 EFABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107226617 472935433 /nfs/dbraw/zinc/93/54/33/472935433.db2.gz FLEVCERPNJKUPS-SJLPKXTDSA-N 1 0 346.381 2.600 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)n1 ZINC000107226204 472935520 /nfs/dbraw/zinc/93/55/20/472935520.db2.gz FAJHCCKMABPPJX-APWZRJJASA-N 1 0 342.418 2.770 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000107228706 472935650 /nfs/dbraw/zinc/93/56/50/472935650.db2.gz XJWCKTVSHCYCHU-IEBWSBKVSA-N 1 0 342.418 2.851 40 0 EFABRO CC(C)Cn1cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cn1 ZINC000074151711 472951975 /nfs/dbraw/zinc/95/19/75/472951975.db2.gz JCZSIQLHRPXACB-UHFFFAOYSA-N 1 0 334.464 2.513 40 0 EFABRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134794918 472968442 /nfs/dbraw/zinc/96/84/42/472968442.db2.gz RVAGPGOUJRXOMF-OWLYRPNTSA-N 1 0 349.496 2.704 40 0 EFABRO Fc1ccc(CN2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738802 472979945 /nfs/dbraw/zinc/97/99/45/472979945.db2.gz UBJDVHBBLSDMBF-ICSRJNTNSA-N 1 0 348.462 2.529 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000107731230 472980138 /nfs/dbraw/zinc/98/01/38/472980138.db2.gz QGHHWOWFABPJQQ-CRAIPNDOSA-N 1 0 346.406 2.753 40 0 EFABRO COc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc(Cl)c1O ZINC000135138687 473025993 /nfs/dbraw/zinc/02/59/93/473025993.db2.gz DZECFKFXWCAPTR-JTQLQIEISA-N 1 0 328.840 2.760 40 0 EFABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000108524208 473034295 /nfs/dbraw/zinc/03/42/95/473034295.db2.gz CPUYFKBQRFBULB-SJORKVTESA-N 1 0 335.492 2.628 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cc1C ZINC000108524843 473034473 /nfs/dbraw/zinc/03/44/73/473034473.db2.gz YMQVFHYYYBMGAP-UHFFFAOYSA-N 1 0 348.512 2.740 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530116 473035492 /nfs/dbraw/zinc/03/54/92/473035492.db2.gz INIVVPBLGMPUPM-UYAOXDASSA-N 1 0 343.471 2.936 40 0 EFABRO c1coc(C[NH+]2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c1 ZINC000108527533 473036016 /nfs/dbraw/zinc/03/60/16/473036016.db2.gz ANRUMQLGRPMGTB-HNNXBMFYSA-N 1 0 328.416 2.695 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530113 473036401 /nfs/dbraw/zinc/03/64/01/473036401.db2.gz INIVVPBLGMPUPM-AZUAARDMSA-N 1 0 343.471 2.936 40 0 EFABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000108533649 473036766 /nfs/dbraw/zinc/03/67/66/473036766.db2.gz BOKAYVYFLNDCQM-HNNXBMFYSA-N 1 0 337.489 2.533 40 0 EFABRO C[NH+]1CCC(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000074920960 473094057 /nfs/dbraw/zinc/09/40/57/473094057.db2.gz KDTWYFZGTQTDJM-VMPITWQZSA-N 1 0 341.499 2.576 40 0 EFABRO Cc1cc(C)n(CC[N@@H+]2CCCN(C(=O)c3ccccc3C)CC2)n1 ZINC000075162634 473143647 /nfs/dbraw/zinc/14/36/47/473143647.db2.gz WSAGMJBWPXJNLB-UHFFFAOYSA-N 1 0 340.471 2.656 40 0 EFABRO C[C@@H](O)[C@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000093988913 473167260 /nfs/dbraw/zinc/16/72/60/473167260.db2.gz HEAMQJPTMYQEJN-OLZOCXBDSA-N 1 0 328.250 2.921 40 0 EFABRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000110642029 473168980 /nfs/dbraw/zinc/16/89/80/473168980.db2.gz XZYATIYBAAKDJK-GJZGRUSLSA-N 1 0 344.377 2.514 40 0 EFABRO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CCCO1 ZINC000110704579 473172555 /nfs/dbraw/zinc/17/25/55/473172555.db2.gz WMRGCRJMFHHSRZ-BYCMXARLSA-N 1 0 329.437 2.837 40 0 EFABRO c1nn(-c2ccccc2)c2ncnc(N3CC[C@H]([NH+]4CCCCC4)C3)c12 ZINC000095393940 473195548 /nfs/dbraw/zinc/19/55/48/473195548.db2.gz XMJOCYVISSSZFS-KRWDZBQOSA-N 1 0 348.454 2.880 40 0 EFABRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000095435412 473204609 /nfs/dbraw/zinc/20/46/09/473204609.db2.gz RUOWUWJYJDAZOW-MRXNPFEDSA-N 1 0 341.459 2.634 40 0 EFABRO COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000096414891 473394633 /nfs/dbraw/zinc/39/46/33/473394633.db2.gz HZCOUIMAMBKLQS-BLLLJJGKSA-N 1 0 342.443 2.852 40 0 EFABRO CC(C)[C@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[NH+](C)C ZINC000096417207 473396390 /nfs/dbraw/zinc/39/63/90/473396390.db2.gz KCWPNBDYENQVDR-WMLDXEAASA-N 1 0 337.439 2.941 40 0 EFABRO CNC(=O)CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000096421185 473400332 /nfs/dbraw/zinc/40/03/32/473400332.db2.gz IQDPTIBKZGTREZ-UHFFFAOYSA-N 1 0 325.250 2.549 40 0 EFABRO CCC(CC)c1cc(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)on1 ZINC000096423767 473402630 /nfs/dbraw/zinc/40/26/30/473402630.db2.gz NPACYKGGGNDBPI-UHFFFAOYSA-N 1 0 349.475 2.905 40 0 EFABRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000096424637 473404197 /nfs/dbraw/zinc/40/41/97/473404197.db2.gz MGFYIDWVEHDCCG-SFHVURJKSA-N 1 0 325.456 2.805 40 0 EFABRO CC(C)CC(=O)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1F ZINC000096427043 473406145 /nfs/dbraw/zinc/40/61/45/473406145.db2.gz QPXRLWCIMUQCIU-UHFFFAOYSA-N 1 0 335.423 2.634 40 0 EFABRO Fc1ccc2ccc(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)nc2c1 ZINC000096427307 473407568 /nfs/dbraw/zinc/40/75/68/473407568.db2.gz RULUYJCLMMASKC-YJBOKZPZSA-N 1 0 345.418 2.523 40 0 EFABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccnc1 ZINC000096431360 473410402 /nfs/dbraw/zinc/41/04/02/473410402.db2.gz GHIYPBFOLJSSIW-IBGZPJMESA-N 1 0 338.455 2.745 40 0 EFABRO C[C@@H]1CCN(C(=O)c2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000096433122 473411738 /nfs/dbraw/zinc/41/17/38/473411738.db2.gz CIAZBVFXNJFUDE-OAHLLOKOSA-N 1 0 327.403 2.957 40 0 EFABRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C)n1 ZINC000096434407 473413162 /nfs/dbraw/zinc/41/31/62/473413162.db2.gz YLCJVIQVFQURFE-QGZVFWFLSA-N 1 0 341.459 2.796 40 0 EFABRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000096434836 473414233 /nfs/dbraw/zinc/41/42/33/473414233.db2.gz FDEFCIJSSJLEBP-AWEZNQCLSA-N 1 0 327.432 2.882 40 0 EFABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)c1ccco1 ZINC000096436073 473415800 /nfs/dbraw/zinc/41/58/00/473415800.db2.gz DCZPKESLTDWGOK-CQSZACIVSA-N 1 0 328.368 2.551 40 0 EFABRO C[NH+](C)CCSc1ccc(NC(=O)c2nccn3ccnc23)cc1 ZINC000096436531 473416108 /nfs/dbraw/zinc/41/61/08/473416108.db2.gz XUSOUFFHHNQBEJ-UHFFFAOYSA-N 1 0 341.440 2.635 40 0 EFABRO Cn1cccc1CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000096439543 473417485 /nfs/dbraw/zinc/41/74/85/473417485.db2.gz MSGSORQFHBVXPF-UHFFFAOYSA-N 1 0 332.492 2.869 40 0 EFABRO COc1cccc(C[C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000096440181 473419064 /nfs/dbraw/zinc/41/90/64/473419064.db2.gz LLVSTBYCGVJZQS-CCNLRDMRSA-N 1 0 345.487 2.941 40 0 EFABRO CSc1ccc(OCCN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000096441359 473419648 /nfs/dbraw/zinc/41/96/48/473419648.db2.gz OSZHURASOYLNAZ-KRWDZBQOSA-N 1 0 336.501 2.584 40 0 EFABRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C)n(C)n1 ZINC000096441184 473420035 /nfs/dbraw/zinc/42/00/35/473420035.db2.gz MRBMGOBDIHEPAC-SFHVURJKSA-N 1 0 340.471 2.713 40 0 EFABRO CSc1ccc(OCCN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000096441360 473420265 /nfs/dbraw/zinc/42/02/65/473420265.db2.gz OSZHURASOYLNAZ-QGZVFWFLSA-N 1 0 336.501 2.584 40 0 EFABRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccoc1 ZINC000096441186 473420288 /nfs/dbraw/zinc/42/02/88/473420288.db2.gz KDEZTPFIUXCOET-UHFFFAOYSA-N 1 0 329.400 2.682 40 0 EFABRO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000096441427 473420405 /nfs/dbraw/zinc/42/04/05/473420405.db2.gz JULYSHLLHHODDO-HKUYNNGSSA-N 1 0 330.472 2.671 40 0 EFABRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000096443735 473421748 /nfs/dbraw/zinc/42/17/48/473421748.db2.gz YOQGCUDBPSKPPK-INIZCTEOSA-N 1 0 344.459 2.592 40 0 EFABRO CCO[C@@H](CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000096447376 473426532 /nfs/dbraw/zinc/42/65/32/473426532.db2.gz ZZKAAJQENLMIMB-MSOLQXFVSA-N 1 0 337.508 2.852 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCCSC2)ccc1F ZINC000096452354 473428579 /nfs/dbraw/zinc/42/85/79/473428579.db2.gz RNCGXSRPXSYMKW-CQSZACIVSA-N 1 0 325.453 2.582 40 0 EFABRO O=C(Nc1ccn(CC(F)F)n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000096452283 473428756 /nfs/dbraw/zinc/42/87/56/473428756.db2.gz VVYKZULSHPEASC-UHFFFAOYSA-N 1 0 341.406 2.677 40 0 EFABRO FC(F)(F)c1cccc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000096453506 473429531 /nfs/dbraw/zinc/42/95/31/473429531.db2.gz BLFWBFAYSQRARA-UHFFFAOYSA-N 1 0 329.366 2.649 40 0 EFABRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000096478132 473439830 /nfs/dbraw/zinc/43/98/30/473439830.db2.gz FTCFBYACFAOOQJ-FZKQIMNGSA-N 1 0 348.468 2.971 40 0 EFABRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478756 473441179 /nfs/dbraw/zinc/44/11/79/473441179.db2.gz MRWPCYJNPIGPPW-SJCJKPOMSA-N 1 0 339.447 2.815 40 0 EFABRO Cc1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000096482833 473441922 /nfs/dbraw/zinc/44/19/22/473441922.db2.gz LNMLJGGHYXTYMC-UHFFFAOYSA-N 1 0 341.455 2.940 40 0 EFABRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000096483699 473442574 /nfs/dbraw/zinc/44/25/74/473442574.db2.gz XKMFEKJBFWSKIX-HUUCEWRRSA-N 1 0 325.416 2.540 40 0 EFABRO CN(C)c1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cn1 ZINC000096484937 473443254 /nfs/dbraw/zinc/44/32/54/473443254.db2.gz JOBGHPWAEGMYOA-UHFFFAOYSA-N 1 0 341.459 2.628 40 0 EFABRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000096485570 473444113 /nfs/dbraw/zinc/44/41/13/473444113.db2.gz SYAVMTSBIDGSMN-CABZTGNLSA-N 1 0 329.213 2.722 40 0 EFABRO COC[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485950 473444874 /nfs/dbraw/zinc/44/48/74/473444874.db2.gz FEPMXSHENAYPHZ-AXAPSJFSSA-N 1 0 342.842 2.871 40 0 EFABRO Clc1ccc(-n2cc(C[NH+]3CCC(n4cncn4)CC3)cn2)cc1 ZINC000096490009 473445378 /nfs/dbraw/zinc/44/53/78/473445378.db2.gz OPXWVZNACCIYDD-UHFFFAOYSA-N 1 0 342.834 2.954 40 0 EFABRO Cc1csc(=O)n1CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491311 473447574 /nfs/dbraw/zinc/44/75/74/473447574.db2.gz YXYBQAXCEYRCNN-CQSZACIVSA-N 1 0 345.468 2.696 40 0 EFABRO C[C@H](C[NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493845 473449583 /nfs/dbraw/zinc/44/95/83/473449583.db2.gz ZQKWLJGPAFCJPM-ABAIWWIYSA-N 1 0 338.249 2.609 40 0 EFABRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000096494730 473450702 /nfs/dbraw/zinc/45/07/02/473450702.db2.gz OJWDBIMJXXMDKB-ZYHUDNBSSA-N 1 0 341.377 2.871 40 0 EFABRO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495820 473451098 /nfs/dbraw/zinc/45/10/98/473451098.db2.gz VXRDDNVUFZAAET-HNNXBMFYSA-N 1 0 341.459 2.566 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(CO)c2)C1 ZINC000096499639 473451266 /nfs/dbraw/zinc/45/12/66/473451266.db2.gz JANHCCYWAMODCC-OAHLLOKOSA-N 1 0 338.423 2.807 40 0 EFABRO C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096500863 473453211 /nfs/dbraw/zinc/45/32/11/473453211.db2.gz CPOZXWSTQPAXDA-ATZDWAIDSA-N 1 0 345.487 2.631 40 0 EFABRO CN(CCC[NH+](C)C)C(=O)NCc1cc(Br)ccc1F ZINC000096502791 473455653 /nfs/dbraw/zinc/45/56/53/473455653.db2.gz BIYFJQFTRIRNMM-UHFFFAOYSA-N 1 0 346.244 2.681 40 0 EFABRO CSc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000191052467 473466509 /nfs/dbraw/zinc/46/65/09/473466509.db2.gz XVASMMKSIUZZBM-QGZVFWFLSA-N 1 0 334.485 2.668 40 0 EFABRO Fc1cccnc1N1CC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191109461 473480086 /nfs/dbraw/zinc/48/00/86/473480086.db2.gz YXHVYHFFNTVERN-JTQLQIEISA-N 1 0 340.196 2.945 40 0 EFABRO C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000165706479 473513732 /nfs/dbraw/zinc/51/37/32/473513732.db2.gz OWHOHVDBHFCILX-WMZOPIPTSA-N 1 0 330.472 2.518 40 0 EFABRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccco1 ZINC000192024491 473608919 /nfs/dbraw/zinc/60/89/19/473608919.db2.gz DILZWZQQUDITCT-RDJZCZTQSA-N 1 0 334.803 2.669 40 0 EFABRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccco1 ZINC000192024473 473609235 /nfs/dbraw/zinc/60/92/35/473609235.db2.gz DILZWZQQUDITCT-NVXWUHKLSA-N 1 0 334.803 2.669 40 0 EFABRO CC(C)[C@H]([NH2+]C1CC(c2ccccc2F)C1)C(=O)N1CCOCC1 ZINC000127806850 473652594 /nfs/dbraw/zinc/65/25/94/473652594.db2.gz DAIWINBXEDQPJP-JMLCCBQJSA-N 1 0 334.435 2.545 40 0 EFABRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)C2=O)n1 ZINC000127984052 473669617 /nfs/dbraw/zinc/66/96/17/473669617.db2.gz ULKRQDQKSYNWNT-AVGNSLFASA-N 1 0 344.381 2.626 40 0 EFABRO COC(=O)C1CCC(Nc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000192446708 473680800 /nfs/dbraw/zinc/68/08/00/473680800.db2.gz JERDANXTCWXQGO-UHFFFAOYSA-N 1 0 346.471 2.787 40 0 EFABRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccnn3C)CC2)cc1 ZINC000192809973 473728883 /nfs/dbraw/zinc/72/88/83/473728883.db2.gz BPBPORJWUOTUDK-OAHLLOKOSA-N 1 0 326.444 2.684 40 0 EFABRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)o1)CC2 ZINC000192983812 473756467 /nfs/dbraw/zinc/75/64/67/473756467.db2.gz NWOROZPGALYDFD-VHSXEESVSA-N 1 0 339.237 2.862 40 0 EFABRO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000246124675 473785255 /nfs/dbraw/zinc/78/52/55/473785255.db2.gz YXZLIXJEDLBQLP-VQIMIIECSA-N 1 0 344.499 2.962 40 0 EFABRO Brc1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CCOC4)C3)nc2c1 ZINC000187154015 473828007 /nfs/dbraw/zinc/82/80/07/473828007.db2.gz NDJHHGKKXMZMCB-OAHLLOKOSA-N 1 0 336.233 2.938 40 0 EFABRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(O)c2)ncn1 ZINC000194921552 473975780 /nfs/dbraw/zinc/97/57/80/473975780.db2.gz VVFGZQLJTZRXHY-DZGCQCFKSA-N 1 0 327.432 2.544 40 0 EFABRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038487 /nfs/dbraw/zinc/03/84/87/474038487.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 1 0 331.489 2.756 40 0 EFABRO CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195298477 474053574 /nfs/dbraw/zinc/05/35/74/474053574.db2.gz NLNMBJCSRMRDGL-HXUWFJFHSA-N 1 0 325.456 2.528 40 0 EFABRO COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000195529528 474088786 /nfs/dbraw/zinc/08/87/86/474088786.db2.gz RSMYCIIWOVADRF-JHJVBQTASA-N 1 0 349.475 2.514 40 0 EFABRO COc1cc(OC)cc([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000195536463 474090235 /nfs/dbraw/zinc/09/02/35/474090235.db2.gz QOPJUWQDWGQKGW-HNAYVOBHSA-N 1 0 340.423 2.720 40 0 EFABRO CCSCc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000195543610 474092171 /nfs/dbraw/zinc/09/21/71/474092171.db2.gz GAIAAUCZTKCXLE-UHFFFAOYSA-N 1 0 345.472 2.708 40 0 EFABRO CN(C(=O)Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000195545056 474092894 /nfs/dbraw/zinc/09/28/94/474092894.db2.gz KKUQDRYSFJTMDX-PBWFPOADSA-N 1 0 337.261 2.733 40 0 EFABRO CC(C)Oc1ccc2c(c1)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)CCC2 ZINC000195549903 474092952 /nfs/dbraw/zinc/09/29/52/474092952.db2.gz KWWVLAYYQJACGR-CXAGYDPISA-N 1 0 325.474 2.874 40 0 EFABRO C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)n1 ZINC000195544108 474093133 /nfs/dbraw/zinc/09/31/33/474093133.db2.gz KGYYQIWCBVXLQE-HIFRSBDPSA-N 1 0 330.457 2.526 40 0 EFABRO CC[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549843 474093538 /nfs/dbraw/zinc/09/35/38/474093538.db2.gz HJKMKTIOPNQAAW-OLZOCXBDSA-N 1 0 331.865 2.664 40 0 EFABRO CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000195556912 474093813 /nfs/dbraw/zinc/09/38/13/474093813.db2.gz PURHSCLDLAEELZ-UHFFFAOYSA-N 1 0 347.793 2.517 40 0 EFABRO FC(F)(F)CCN1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000195556398 474094777 /nfs/dbraw/zinc/09/47/77/474094777.db2.gz YZBZPKAZRCMCBC-AWEZNQCLSA-N 1 0 344.377 2.833 40 0 EFABRO Cc1cc(Cl)c([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557739 474095588 /nfs/dbraw/zinc/09/55/88/474095588.db2.gz NGVMIYHETPZGRM-KBPBESRZSA-N 1 0 344.908 2.889 40 0 EFABRO Cc1cc(Cl)c([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557738 474096135 /nfs/dbraw/zinc/09/61/35/474096135.db2.gz NGVMIYHETPZGRM-KGLIPLIRSA-N 1 0 344.908 2.889 40 0 EFABRO Cn1cc([C@@](C)(O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cn1 ZINC000195560700 474096318 /nfs/dbraw/zinc/09/63/18/474096318.db2.gz DAFVQUIEGGMXLE-OALUTQOASA-N 1 0 340.402 2.541 40 0 EFABRO COc1ccccc1N1CCC[C@H]([NH2+]C2CCC(OC)CC2)C1=O ZINC000195560475 474096460 /nfs/dbraw/zinc/09/64/60/474096460.db2.gz VDJPLIGTKSWVDX-GPANFISMSA-N 1 0 332.444 2.738 40 0 EFABRO CN(C)[C@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086537 474097460 /nfs/dbraw/zinc/09/74/60/474097460.db2.gz KHDXRSRINFFEAL-IAGOWNOFSA-N 1 0 332.423 2.665 40 0 EFABRO O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCC[N@@H+]1CCC1OCCO1 ZINC000195565964 474097839 /nfs/dbraw/zinc/09/78/39/474097839.db2.gz FACFJIYHIULGGM-OAHLLOKOSA-N 1 0 340.370 2.521 40 0 EFABRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000182130619 474104401 /nfs/dbraw/zinc/10/44/01/474104401.db2.gz BDJKYHUVEAFNKG-QGZVFWFLSA-N 1 0 328.387 2.971 40 0 EFABRO CCc1nsc(N2CCC[N@H+](CCC(=O)c3ccccc3)CC2)n1 ZINC000182379145 474160563 /nfs/dbraw/zinc/16/05/63/474160563.db2.gz LHXDZDLGDCRHNZ-UHFFFAOYSA-N 1 0 344.484 2.886 40 0 EFABRO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000222218410 474166055 /nfs/dbraw/zinc/16/60/55/474166055.db2.gz ZWUFFHHUFFLOMC-JQHSSLGASA-N 1 0 326.440 2.665 40 0 EFABRO C[NH2+]CCCNc1ccnc2ccc(I)cc21 ZINC000222679371 474172980 /nfs/dbraw/zinc/17/29/80/474172980.db2.gz PGRGMBXGQAACKP-UHFFFAOYSA-N 1 0 341.196 2.861 40 0 EFABRO O=C(COc1ccc2c(c1)CCCC2)NCCC[NH+]1CCCCC1 ZINC000223517782 474186239 /nfs/dbraw/zinc/18/62/39/474186239.db2.gz SPGZPSPBJYPGJP-UHFFFAOYSA-N 1 0 330.472 2.936 40 0 EFABRO CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000224680103 474199090 /nfs/dbraw/zinc/19/90/90/474199090.db2.gz AXFSFHONHUWIDA-IBGZPJMESA-N 1 0 348.443 2.719 40 0 EFABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(Br)cc2)n1 ZINC000225321289 474207129 /nfs/dbraw/zinc/20/71/29/474207129.db2.gz FUFIHTHVVGBEPC-UHFFFAOYSA-N 1 0 333.233 2.624 40 0 EFABRO OC1(c2csc(CN3CCC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000225421491 474211180 /nfs/dbraw/zinc/21/11/80/474211180.db2.gz JIQRBVAHBPMVBZ-UHFFFAOYSA-N 1 0 343.496 2.832 40 0 biogenic,in-vitro EFABRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000225470803 474214629 /nfs/dbraw/zinc/21/46/29/474214629.db2.gz ZJDKDIRIUKRCFS-LPHOPBHVSA-N 1 0 342.414 2.844 40 0 EFABRO C[NH2+]CC(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000225473348 474214823 /nfs/dbraw/zinc/21/48/23/474214823.db2.gz WTSOBKWCZQVITQ-SFHVURJKSA-N 1 0 348.830 2.782 40 0 EFABRO Cc1ccc([C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C2CCCC2)cc1 ZINC000225475083 474216709 /nfs/dbraw/zinc/21/67/09/474216709.db2.gz QJESJKXSIWGKIC-GOSISDBHSA-N 1 0 336.501 2.707 40 0 EFABRO CCOC(=O)c1cc(N)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000225487032 474218104 /nfs/dbraw/zinc/21/81/04/474218104.db2.gz QWFLOQSBDCMERW-UHFFFAOYSA-N 1 0 339.439 2.768 40 0 EFABRO O=C(C[C@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000225489131 474218314 /nfs/dbraw/zinc/21/83/14/474218314.db2.gz QKNPOPWZXLKKGV-QFBILLFUSA-N 1 0 342.414 2.604 40 0 EFABRO C[NH2+]CC(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000225488174 474218576 /nfs/dbraw/zinc/21/85/76/474218576.db2.gz GHNPTJGEEYQVHC-ZDUSSCGKSA-N 1 0 331.441 2.532 40 0 EFABRO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000225489161 474218663 /nfs/dbraw/zinc/21/86/63/474218663.db2.gz QKNPOPWZXLKKGV-LPHOPBHVSA-N 1 0 342.414 2.604 40 0 EFABRO CSc1cncc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000225513853 474219535 /nfs/dbraw/zinc/21/95/35/474219535.db2.gz OLYCYCLPMSHDAJ-INIZCTEOSA-N 1 0 344.484 2.767 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@@H]3OC[C@H](CCOc4ccccn4)[C@@H]3C2)n1 ZINC000247902891 474223978 /nfs/dbraw/zinc/22/39/78/474223978.db2.gz ZVWONCDHTHLGLS-WDSOQIARSA-N 1 0 339.439 2.701 40 0 EFABRO C[C@H](C1CC1)n1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000188886281 474224776 /nfs/dbraw/zinc/22/47/76/474224776.db2.gz QDIKAWMJFVIPIN-CQSZACIVSA-N 1 0 329.448 2.722 40 0 EFABRO C[C@@H](Oc1ccccc1)C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225568946 474225543 /nfs/dbraw/zinc/22/55/43/474225543.db2.gz KMGNRVPMBSRLBA-NVXWUHKLSA-N 1 0 348.512 2.788 40 0 EFABRO CSc1ccc(-c2nsc(NC(=O)C3CC[NH2+]CC3)n2)cc1 ZINC000225561983 474225655 /nfs/dbraw/zinc/22/56/55/474225655.db2.gz XZZRUSGBMXQIDR-UHFFFAOYSA-N 1 0 334.470 2.865 40 0 EFABRO CN(C)c1cccc(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000225568773 474226021 /nfs/dbraw/zinc/22/60/21/474226021.db2.gz TWJISPXRLTVYTI-GOSISDBHSA-N 1 0 347.528 2.700 40 0 EFABRO Cc1cncc(CO[C@@H]2CCOC3(CN(Cc4ccccn4)C3)C2)c1 ZINC000247918116 474226406 /nfs/dbraw/zinc/22/64/06/474226406.db2.gz NAUJGPQIVFHUAS-LJQANCHMSA-N 1 0 339.439 2.735 40 0 EFABRO CCOC(=O)c1sc(N2CCC[C@@H]2Cn2ccnc2C)nc1C ZINC000225596234 474228079 /nfs/dbraw/zinc/22/80/79/474228079.db2.gz MABMHSHUZZHFCY-CYBMUJFWSA-N 1 0 334.445 2.802 40 0 EFABRO O=C1[C@H](NCc2cncnc2)CCN1c1ccc(Cl)cc1Cl ZINC000225594043 474228090 /nfs/dbraw/zinc/22/80/90/474228090.db2.gz SVVNZTUCUCQCLL-CYBMUJFWSA-N 1 0 337.210 2.679 40 0 EFABRO CSC1(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CC1 ZINC000225611807 474231112 /nfs/dbraw/zinc/23/11/12/474231112.db2.gz NXMCEZDVLKNYBW-UHFFFAOYSA-N 1 0 334.485 2.650 40 0 EFABRO CCOc1ccccc1CN1CCN(C(=O)c2cscn2)[C@H](C)C1 ZINC000225658191 474234551 /nfs/dbraw/zinc/23/45/51/474234551.db2.gz QFDCTGLFSMJSIS-CQSZACIVSA-N 1 0 345.468 2.888 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccc(F)cc2)C1 ZINC000226170738 474240384 /nfs/dbraw/zinc/24/03/84/474240384.db2.gz VFTHHKBDAZXHKY-HLLBOEOZSA-N 1 0 325.424 2.560 40 0 EFABRO CC(C)Cn1ncnc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000182719454 474241011 /nfs/dbraw/zinc/24/10/11/474241011.db2.gz NFGLFJXCWKJARF-GOSISDBHSA-N 1 0 333.524 2.878 40 0 EFABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1Cc1ccncc1 ZINC000248009402 474244960 /nfs/dbraw/zinc/24/49/60/474244960.db2.gz VACUGAAEJKRQMW-IAGOWNOFSA-N 1 0 327.453 2.909 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC000248025234 474247217 /nfs/dbraw/zinc/24/72/17/474247217.db2.gz JILHQMTWRIDWPC-XFQXTVEOSA-N 1 0 341.455 2.548 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(C(=O)c2ccoc2C)Cc2cncn21 ZINC000248059966 474253624 /nfs/dbraw/zinc/25/36/24/474253624.db2.gz ZTBAAIMDNSFZJR-HNNXBMFYSA-N 1 0 330.432 2.714 40 0 EFABRO C[N@H+](C[C@H]1CO[C@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000248074195 474256312 /nfs/dbraw/zinc/25/63/12/474256312.db2.gz TVWAYTZYFNSRCF-KXBFYZLASA-N 1 0 333.451 2.686 40 0 EFABRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000182838880 474269879 /nfs/dbraw/zinc/26/98/79/474269879.db2.gz JOUXDPQRTGWBQI-AWEZNQCLSA-N 1 0 335.860 2.874 40 0 EFABRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]1 ZINC000182838898 474270185 /nfs/dbraw/zinc/27/01/85/474270185.db2.gz JOUXDPQRTGWBQI-CQSZACIVSA-N 1 0 335.860 2.874 40 0 EFABRO O[C@H](C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000248392946 474304182 /nfs/dbraw/zinc/30/41/82/474304182.db2.gz LHROOZIYABIULX-QWHCGFSZSA-N 1 0 340.349 2.574 40 0 EFABRO O[C@H](C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000248392945 474304435 /nfs/dbraw/zinc/30/44/35/474304435.db2.gz LHROOZIYABIULX-CHWSQXEVSA-N 1 0 340.349 2.574 40 0 EFABRO CC(C)c1ccnc(N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000189208367 474324770 /nfs/dbraw/zinc/32/47/70/474324770.db2.gz DMHJXYOYZHSEQJ-UHFFFAOYSA-N 1 0 331.508 2.598 40 0 EFABRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(F)(F)C(F)F ZINC000175972140 474352407 /nfs/dbraw/zinc/35/24/07/474352407.db2.gz DBSCDFYKMSUFLE-UHFFFAOYSA-N 1 0 332.341 2.710 40 0 EFABRO C[NH2+]CC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000237298229 474377872 /nfs/dbraw/zinc/37/78/72/474377872.db2.gz BXCLPIHRIRGDNP-UHFFFAOYSA-N 1 0 336.189 2.794 40 0 EFABRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000248711255 474411327 /nfs/dbraw/zinc/41/13/27/474411327.db2.gz COWPMABXBYXKIK-IPMKNSEASA-N 1 0 327.472 2.950 40 0 EFABRO COC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248734249 474418190 /nfs/dbraw/zinc/41/81/90/474418190.db2.gz NAKSYSRMAGIPPI-JKSUJKDBSA-N 1 0 337.851 2.517 40 0 EFABRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000248745388 474423158 /nfs/dbraw/zinc/42/31/58/474423158.db2.gz RVAGPGOUJRXOMF-HPBDAGMYSA-N 1 0 349.496 2.704 40 0 EFABRO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)on2)cn1 ZINC000249001109 474502792 /nfs/dbraw/zinc/50/27/92/474502792.db2.gz MZIYYOPIOIVPCF-WMLDXEAASA-N 1 0 342.399 2.756 40 0 EFABRO CC[C@]1(C)CN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCO1 ZINC000249055059 474513888 /nfs/dbraw/zinc/51/38/88/474513888.db2.gz GRASBDFWZKUIFY-JTDSTZFVSA-N 1 0 337.508 2.850 40 0 EFABRO O=S(=O)(c1ccccc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000238871976 474543148 /nfs/dbraw/zinc/54/31/48/474543148.db2.gz NCZBKZWCVWHCQF-GOSISDBHSA-N 1 0 342.464 2.508 40 0 EFABRO CC(C)n1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)n1 ZINC000240668136 474551831 /nfs/dbraw/zinc/55/18/31/474551831.db2.gz HMNAFLTZOORVEG-UHFFFAOYSA-N 1 0 330.432 2.794 40 0 EFABRO Cn1ccc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894826 474551961 /nfs/dbraw/zinc/55/19/61/474551961.db2.gz IQFDQTQVCUKZAR-DYVFJYSZSA-N 1 0 336.842 2.995 40 0 EFABRO COC(=O)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000245265753 474572595 /nfs/dbraw/zinc/57/25/95/474572595.db2.gz HRPBXLQVYZVWKH-AEFFLSMTSA-N 1 0 344.455 2.602 40 0 EFABRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000245289810 474573751 /nfs/dbraw/zinc/57/37/51/474573751.db2.gz FGSWXICBKPVXMT-GDIGMMSISA-N 1 0 330.472 2.517 40 0 EFABRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000245338886 474574493 /nfs/dbraw/zinc/57/44/93/474574493.db2.gz PBBAPPJVAZJSMZ-WJFTUGDTSA-N 1 0 340.467 2.838 40 0 EFABRO CC(C)N1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339021 474574713 /nfs/dbraw/zinc/57/47/13/474574713.db2.gz PZFORTKNLNTSBE-GDBMZVCRSA-N 1 0 334.370 2.642 40 0 EFABRO C[C@H](NC(=O)CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000245339103 474574879 /nfs/dbraw/zinc/57/48/79/474574879.db2.gz QLPDOFARRJGHJC-IAAVTCLWSA-N 1 0 330.472 2.999 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1F ZINC000252477342 474661367 /nfs/dbraw/zinc/66/13/67/474661367.db2.gz MJDNARJFRRAVJM-USXIJHARSA-N 1 0 349.450 2.500 40 0 EFABRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000252486213 474670792 /nfs/dbraw/zinc/67/07/92/474670792.db2.gz GPPQTQQXPCOYMH-NTZNESFSSA-N 1 0 328.815 2.813 40 0 EFABRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC12OCCO2 ZINC000252490352 474674466 /nfs/dbraw/zinc/67/44/66/474674466.db2.gz KQTLUZCTNAHRAW-GOSISDBHSA-N 1 0 346.471 2.688 40 0 EFABRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000252499943 474681701 /nfs/dbraw/zinc/68/17/01/474681701.db2.gz SJQFFYYMHMIOBV-GOSISDBHSA-N 1 0 344.386 2.613 40 0 EFABRO CC(C)[N@H+](CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252518006 474693082 /nfs/dbraw/zinc/69/30/82/474693082.db2.gz XBJQBZOXZFLQJW-IYARVYRRSA-N 1 0 334.460 2.927 40 0 EFABRO c1nc2n(n1)CCC[C@@H]2N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252584998 474698320 /nfs/dbraw/zinc/69/83/20/474698320.db2.gz FLESUZALCHSUTR-RDGPPVDQSA-N 1 0 337.471 2.613 40 0 EFABRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)C(F)(F)F ZINC000252585082 474699916 /nfs/dbraw/zinc/69/99/16/474699916.db2.gz FXWDRVDOODGFDE-LQKXBSAESA-N 1 0 330.394 2.656 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000253392807 474731776 /nfs/dbraw/zinc/73/17/76/474731776.db2.gz VICYMHISPHLIEC-HNNXBMFYSA-N 1 0 348.491 2.850 40 0 EFABRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000253417108 474743096 /nfs/dbraw/zinc/74/30/96/474743096.db2.gz RFPFHASDVDPAOT-AWEZNQCLSA-N 1 0 332.835 2.733 40 0 EFABRO CSc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000253418385 474744095 /nfs/dbraw/zinc/74/40/95/474744095.db2.gz QEJUYKWQNZETNN-UONOGXRCSA-N 1 0 337.489 2.636 40 0 EFABRO OCc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)o1 ZINC000253417369 474744175 /nfs/dbraw/zinc/74/41/75/474744175.db2.gz QDPKNQNVOBDCRD-UHFFFAOYSA-N 1 0 340.221 2.568 40 0 EFABRO Cn1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)n1 ZINC000253418587 474744971 /nfs/dbraw/zinc/74/49/71/474744971.db2.gz NXQCLGHBZLQFIC-CYBMUJFWSA-N 1 0 335.249 2.551 40 0 EFABRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1 ZINC000253419944 474747845 /nfs/dbraw/zinc/74/78/45/474747845.db2.gz SYWVYLUYTKRSJE-SKDRFNHKSA-N 1 0 335.395 2.731 40 0 EFABRO COCCOc1ccc(Nc2ncnc3c2CN(C)CC3)cc1Cl ZINC000253424891 474748950 /nfs/dbraw/zinc/74/89/50/474748950.db2.gz RVKRMQOFRHQIJL-UHFFFAOYSA-N 1 0 348.834 2.887 40 0 EFABRO FCCn1ncnc1CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000253425453 474750379 /nfs/dbraw/zinc/75/03/79/474750379.db2.gz CXWPZFKTORDPEI-ZDUSSCGKSA-N 1 0 349.479 2.963 40 0 EFABRO CC(C)n1c(Sc2ncc(Cl)cn2)nnc1C1CC[NH2+]CC1 ZINC000253428898 474754721 /nfs/dbraw/zinc/75/47/21/474754721.db2.gz FSEGWMQZCOBSSZ-UHFFFAOYSA-N 1 0 338.868 2.921 40 0 EFABRO COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(Cc2ncnn2C(C)C)C1 ZINC000253433413 474757912 /nfs/dbraw/zinc/75/79/12/474757912.db2.gz WPIPQWWGVTWTLF-DLBZAZTESA-N 1 0 342.443 2.638 40 0 EFABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000253612744 474772483 /nfs/dbraw/zinc/77/24/83/474772483.db2.gz IZWKBHMVRKCCRM-PXRSPZQOSA-N 1 0 327.509 2.934 40 0 EFABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1CC1CC1 ZINC000306123871 474806258 /nfs/dbraw/zinc/80/62/58/474806258.db2.gz AZGIQLPHIQRAHG-OALUTQOASA-N 1 0 339.414 2.919 40 0 EFABRO COC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000306127867 474806812 /nfs/dbraw/zinc/80/68/12/474806812.db2.gz GJNUMUMHJUZHRV-MRXNPFEDSA-N 1 0 325.456 2.777 40 0 EFABRO COC[C@@H]1CC[N@H+](CC2CC2)C2(CN(Cc3scnc3C)C2)C1 ZINC000306126093 474807146 /nfs/dbraw/zinc/80/71/46/474807146.db2.gz DMLJBSBXGPOWTE-MRXNPFEDSA-N 1 0 335.517 2.774 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H](F)[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809164 /nfs/dbraw/zinc/80/91/64/474809164.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 1 0 346.450 2.758 40 0 EFABRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)CC4CC4)[C@H]3C2)c1 ZINC000306135115 474809862 /nfs/dbraw/zinc/80/98/62/474809862.db2.gz OIGIICYRKHRWGT-XUVXKRRUSA-N 1 0 342.483 2.667 40 0 EFABRO c1cc(N2CCCC2)cn2nc([C@H]3CCC[N@@H+](CC4CC4)C3)nc12 ZINC000306133087 474810765 /nfs/dbraw/zinc/81/07/65/474810765.db2.gz MBKOFMLBRMRHPG-INIZCTEOSA-N 1 0 325.460 2.919 40 0 EFABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1CC1CC1 ZINC000306140034 474810997 /nfs/dbraw/zinc/81/09/97/474810997.db2.gz UHVYQMBEKMMEIJ-IAGOWNOFSA-N 1 0 327.453 2.841 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC000306144021 474811524 /nfs/dbraw/zinc/81/15/24/474811524.db2.gz YTRBCRPFFBXICA-SQWLQELKSA-N 1 0 346.452 2.526 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144459 474812022 /nfs/dbraw/zinc/81/20/22/474812022.db2.gz ZFYUASLYBDVJTO-SJLPKXTDSA-N 1 0 333.439 2.588 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@H]1c1ccnc(C[NH+]2CCCC2)c1 ZINC000257279084 474926530 /nfs/dbraw/zinc/92/65/30/474926530.db2.gz OEYPCHDMKQSEFJ-SFHVURJKSA-N 1 0 338.455 2.993 40 0 EFABRO COc1ccccc1[C@H]1CN(CCC(F)(F)F)CCN1C(C)=O ZINC000257256316 474927113 /nfs/dbraw/zinc/92/71/13/474927113.db2.gz KKXXQCIVQCXIDP-CQSZACIVSA-N 1 0 330.350 2.853 40 0 EFABRO COCCN1C(=O)CCC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000257243992 474927616 /nfs/dbraw/zinc/92/76/16/474927616.db2.gz IJLGFIGLDLZOOS-RBUKOAKNSA-N 1 0 330.472 2.579 40 0 EFABRO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2Cc2nccn2C(C)C)n1 ZINC000257278635 474927732 /nfs/dbraw/zinc/92/77/32/474927732.db2.gz OCZSQMXNIFKDAL-QGZVFWFLSA-N 1 0 342.491 2.961 40 0 EFABRO CC(C)[N@@H+]1CCC[C@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257269923 474927989 /nfs/dbraw/zinc/92/79/89/474927989.db2.gz MRZIUOULQPZQQY-HNNXBMFYSA-N 1 0 346.431 2.528 40 0 EFABRO Cc1n[nH]cc1CN1CC[N@@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257271554 474928103 /nfs/dbraw/zinc/92/81/03/474928103.db2.gz MYUHBMWESXGPLZ-KRWDZBQOSA-N 1 0 349.482 2.873 40 0 EFABRO Cn1cc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)C[N@@H+]3C)cn1 ZINC000257236586 474928280 /nfs/dbraw/zinc/92/82/80/474928280.db2.gz HCWDWHVYKBAVFQ-FHWLQOOXSA-N 1 0 338.455 2.513 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257282357 474930131 /nfs/dbraw/zinc/93/01/31/474930131.db2.gz OTKYTNRKVLHBEW-INIZCTEOSA-N 1 0 326.444 2.566 40 0 EFABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCO2)c1 ZINC000257285953 474932669 /nfs/dbraw/zinc/93/26/69/474932669.db2.gz PJNMQJOYLAMLMU-QGZVFWFLSA-N 1 0 339.439 2.719 40 0 EFABRO Cc1nc(C[N@H+]2CCC[C@H](c3ccc4c(N)nn(C)c4n3)C2)cs1 ZINC000257293357 474936251 /nfs/dbraw/zinc/93/62/51/474936251.db2.gz QPDDPQXVDBACEY-LBPRGKRZSA-N 1 0 342.472 2.695 40 0 EFABRO c1c[nH]c(-c2cc(C[C@@H]3CCC[N@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257292073 474936994 /nfs/dbraw/zinc/93/69/94/474936994.db2.gz QJWMOYKQCSUPSS-HNNXBMFYSA-N 1 0 334.427 2.716 40 0 EFABRO Cc1c[nH]c(-c2cncc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1 ZINC000257296800 474938598 /nfs/dbraw/zinc/93/85/98/474938598.db2.gz RELVKPPAVWKCKC-INIZCTEOSA-N 1 0 334.427 2.950 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cnn(C(C)C)c2)C1 ZINC000257300263 474940342 /nfs/dbraw/zinc/94/03/42/474940342.db2.gz RTRBEEPKGQOSOK-OAHLLOKOSA-N 1 0 329.448 2.747 40 0 EFABRO Cc1ccsc1C[N@@H+]1CCC[C@H](Cc2cc(C(N)=O)nc(C)n2)C1 ZINC000257300583 474941602 /nfs/dbraw/zinc/94/16/02/474941602.db2.gz RUWNWALRKTVCOQ-CQSZACIVSA-N 1 0 344.484 2.709 40 0 EFABRO C[C@]12CCCN(C(=O)COc3ccc(F)cc3F)[C@H]1CCCC[NH2+]2 ZINC000257300646 474941862 /nfs/dbraw/zinc/94/18/62/474941862.db2.gz RVEHVHZDINFNRH-WMZOPIPTSA-N 1 0 338.398 2.867 40 0 EFABRO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3cccs3)CCN2C)c1 ZINC000257308432 474944689 /nfs/dbraw/zinc/94/46/89/474944689.db2.gz TWRHOWWEVHLUFO-QGZVFWFLSA-N 1 0 329.469 2.596 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)COc3ccccc3)C2)[nH+]1 ZINC000257309261 474945360 /nfs/dbraw/zinc/94/53/60/474945360.db2.gz UAGJMUSDSOHPBG-INIZCTEOSA-N 1 0 339.439 2.851 40 0 EFABRO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000257308699 474945701 /nfs/dbraw/zinc/94/57/01/474945701.db2.gz TXTIUAFZFSIYCJ-IAGOWNOFSA-N 1 0 334.460 2.877 40 0 EFABRO CCCc1cc(C(=O)N2CCCC[C@@H]3[N@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257312802 474946749 /nfs/dbraw/zinc/94/67/49/474946749.db2.gz UPNZSCZRIDKONG-HKUYNNGSSA-N 1 0 332.492 2.852 40 0 EFABRO Cn1cc(CCC(=O)N2CC[C@H]3[NH2+]CCCC[C@H]32)c2ccccc21 ZINC000257309930 474947350 /nfs/dbraw/zinc/94/73/50/474947350.db2.gz UCYCJVUHBBTWKP-IEBWSBKVSA-N 1 0 325.456 2.854 40 0 EFABRO Cn1cncc1C[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 ZINC000257312735 474947441 /nfs/dbraw/zinc/94/74/41/474947441.db2.gz UPHZSWLNKRKJOV-ICSRJNTNSA-N 1 0 338.455 2.576 40 0 EFABRO C[N@H+](CCC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1cccnc1 ZINC000257323281 474952711 /nfs/dbraw/zinc/95/27/11/474952711.db2.gz WJMIKVOOGZUDCY-MRXNPFEDSA-N 1 0 344.484 2.766 40 0 EFABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000257322544 474953042 /nfs/dbraw/zinc/95/30/42/474953042.db2.gz WGKACZNLGVCUEH-LJQANCHMSA-N 1 0 330.472 2.626 40 0 EFABRO C[N@H+]1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1c[nH]c(=O)[nH]1 ZINC000257323913 474953606 /nfs/dbraw/zinc/95/36/06/474953606.db2.gz WMJBGMUKXVUQMF-YESZJQIVSA-N 1 0 340.427 2.555 40 0 EFABRO Cc1nn(C)c2nc([C@H]3CCC[N@H+](Cc4ccnc(C)n4)C3)ccc12 ZINC000257326536 474956241 /nfs/dbraw/zinc/95/62/41/474956241.db2.gz WXOSVRMLWTVUOO-HNNXBMFYSA-N 1 0 336.443 2.755 40 0 EFABRO Nc1cc(CC[C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)cc[nH+]1 ZINC000257326374 474956309 /nfs/dbraw/zinc/95/63/09/474956309.db2.gz WWZIHURPDPZNSY-PDFOZTTASA-N 1 0 337.423 2.537 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257331751 474959291 /nfs/dbraw/zinc/95/92/91/474959291.db2.gz XUCMRASBKDZIJK-HNNXBMFYSA-N 1 0 345.418 2.672 40 0 EFABRO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000257333230 474959357 /nfs/dbraw/zinc/95/93/57/474959357.db2.gz YASVVIHDRVXMNH-QGZVFWFLSA-N 1 0 330.476 2.933 40 0 EFABRO COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257334782 474960011 /nfs/dbraw/zinc/96/00/11/474960011.db2.gz YHJGKTAIGBVJNS-VAMGGRTRSA-N 1 0 336.435 2.913 40 0 EFABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(C)n1 ZINC000257336973 474960531 /nfs/dbraw/zinc/96/05/31/474960531.db2.gz YQVYLDNDBOTYGT-LJQANCHMSA-N 1 0 341.459 2.580 40 0 EFABRO O=c1cc(C[C@@H]2COCC[N@@H+](Cc3ccccc3Cl)C2)nc[nH]1 ZINC000257340397 474963060 /nfs/dbraw/zinc/96/30/60/474963060.db2.gz ZFWFBQTYHJTUJA-ZDUSSCGKSA-N 1 0 333.819 2.527 40 0 EFABRO Cc1nc(-c2nccn2C)cc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000257338249 474963396 /nfs/dbraw/zinc/96/33/96/474963396.db2.gz YWPPMKIEKVJYKJ-UHFFFAOYSA-N 1 0 348.454 2.960 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC2(CC(N(C)c3ccncn3)C2)C1 ZINC000257340944 474963988 /nfs/dbraw/zinc/96/39/88/474963988.db2.gz ZIFUHIJKRJKXQI-UHFFFAOYSA-N 1 0 338.455 2.976 40 0 EFABRO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261602963 474990037 /nfs/dbraw/zinc/99/00/37/474990037.db2.gz ASMUWQXYQRCAKR-JOCLIGHLSA-N 1 0 337.467 2.523 40 0 EFABRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000332079215 475502310 /nfs/dbraw/zinc/50/23/10/475502310.db2.gz YNGWRKJMJAEFRL-UTUOFQBUSA-N 1 0 327.350 2.660 40 0 EFABRO Cc1ncc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000332826291 475755806 /nfs/dbraw/zinc/75/58/06/475755806.db2.gz KPBBQIVUOKHPGT-DOTOQJQBSA-N 1 0 348.397 2.950 40 0 EFABRO C[C@@H](C[C@H](O)c1ccco1)Nc1cc(N2CCSCC2)ncn1 ZINC000302875913 476209794 /nfs/dbraw/zinc/20/97/94/476209794.db2.gz FFORHSZGJXOABG-STQMWFEESA-N 1 0 334.445 2.547 40 0 EFABRO CC(C)(C)n1cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cn1 ZINC000449418434 477563819 /nfs/dbraw/zinc/56/38/19/477563819.db2.gz CWKJJEWQNUCWET-HKUYNNGSSA-N 1 0 331.435 2.938 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000592094923 478770460 /nfs/dbraw/zinc/77/04/60/478770460.db2.gz WDUREMQARLHMFH-CQSZACIVSA-N 1 0 338.879 2.845 40 0 EFABRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000592094922 478771704 /nfs/dbraw/zinc/77/17/04/478771704.db2.gz WDUREMQARLHMFH-AWEZNQCLSA-N 1 0 338.879 2.845 40 0 EFABRO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]21 ZINC000514290359 479023140 /nfs/dbraw/zinc/02/31/40/479023140.db2.gz YONJVGQGYOSNAQ-QUCCMNQESA-N 1 0 336.435 2.837 40 0 biogenic,in-vitro EFABRO C[NH+](C)CC[C@@H]1Cn2cccc2CN(C(=O)C2CCSCC2)C1 ZINC000585095321 479279614 /nfs/dbraw/zinc/27/96/14/479279614.db2.gz PRYHQKABRMMQFG-OAHLLOKOSA-N 1 0 335.517 2.541 40 0 EFABRO CCOCc1nnc2n1CC[N@@H+](Cc1cccc3[nH]ccc31)[C@H](C)C2 ZINC000585097116 479280885 /nfs/dbraw/zinc/28/08/85/479280885.db2.gz FWJUPKYYTLYILF-CQSZACIVSA-N 1 0 339.443 2.743 40 0 EFABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585102025 479282444 /nfs/dbraw/zinc/28/24/44/479282444.db2.gz OBCYPYPHBJERHZ-QGZVFWFLSA-N 1 0 340.826 2.806 40 0 EFABRO CNC(=O)C[C@@H]1Cn2cccc2CN(Cc2cccc3[nH]ccc32)C1 ZINC000585099091 479283476 /nfs/dbraw/zinc/28/34/76/479283476.db2.gz KUNVHXHYNQETFI-HNNXBMFYSA-N 1 0 336.439 2.738 40 0 EFABRO CC[N@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1O)CC2 ZINC000585103003 479283942 /nfs/dbraw/zinc/28/39/42/479283942.db2.gz BAJJCAHTEODVBK-INIZCTEOSA-N 1 0 346.471 2.664 40 0 EFABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000585102893 479284579 /nfs/dbraw/zinc/28/45/79/479284579.db2.gz GXSKOENCNDAAQG-SFHVURJKSA-N 1 0 346.471 2.767 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103414 479284673 /nfs/dbraw/zinc/28/46/73/479284673.db2.gz FKAOEVBLBSWVAC-MRXNPFEDSA-N 1 0 338.467 2.618 40 0 EFABRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585103370 479284815 /nfs/dbraw/zinc/28/48/15/479284815.db2.gz BNOBZJBICFFFTM-IBGZPJMESA-N 1 0 334.435 2.533 40 0 EFABRO Cc1cc(C[NH+]2CCC3(CC(NC(=O)OCC(C)C)C3)CC2)[nH]n1 ZINC000585102920 479284978 /nfs/dbraw/zinc/28/49/78/479284978.db2.gz ILHHJKWCLNZYEW-UHFFFAOYSA-N 1 0 334.464 2.845 40 0 EFABRO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC000585104324 479286112 /nfs/dbraw/zinc/28/61/12/479286112.db2.gz YTCMXLBXGUAKQO-SFHVURJKSA-N 1 0 332.488 2.550 40 0 EFABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](C4CCOCC4)C3)C2)n1 ZINC000585105384 479286361 /nfs/dbraw/zinc/28/63/61/479286361.db2.gz VSRPGIDSGVVDPN-KRWDZBQOSA-N 1 0 334.485 2.646 40 0 EFABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109713 479287140 /nfs/dbraw/zinc/28/71/40/479287140.db2.gz KSKOIKORKLAKAI-IRFCIJBXSA-N 1 0 336.435 2.720 40 0 EFABRO CC(C)S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107977 479287364 /nfs/dbraw/zinc/28/73/64/479287364.db2.gz PQIXQZHXEFKYGD-BPQIPLTHSA-N 1 0 336.501 2.534 40 0 EFABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)no1 ZINC000585109815 479287683 /nfs/dbraw/zinc/28/76/83/479287683.db2.gz WTFCZNXSJSRJSV-JENIJYKNSA-N 1 0 337.423 2.893 40 0 EFABRO C[NH+]1CCN(c2cccc(Cl)c2CNCc2nccs2)CC1 ZINC000585139779 479298003 /nfs/dbraw/zinc/29/80/03/479298003.db2.gz KSDYQUYTTULENB-UHFFFAOYSA-N 1 0 336.892 2.838 40 0 EFABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)COc1ccccc1 ZINC000585270302 479303413 /nfs/dbraw/zinc/30/34/13/479303413.db2.gz TZOQMHRKVDTDIY-QGZVFWFLSA-N 1 0 333.403 2.907 40 0 EFABRO c1nc(Nc2cncc(C[C@H]3CC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585262934 479304020 /nfs/dbraw/zinc/30/40/20/479304020.db2.gz FFUGZDKVLJHQRL-CYBMUJFWSA-N 1 0 337.452 3.496 40 0 EFABRO CO[C@H]1CCC[N@H+](Cc2ccc(C)nc2)[C@H]1CCC(=O)N1CCCC1 ZINC000585269361 479304139 /nfs/dbraw/zinc/30/41/39/479304139.db2.gz QJHBYAVSDSDCPM-OALUTQOASA-N 1 0 345.487 2.772 40 0 EFABRO CO[C@@]1(COc2ccc(C)cc2)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585276498 479305579 /nfs/dbraw/zinc/30/55/79/479305579.db2.gz KIQAAZLZYPGTJH-IBGZPJMESA-N 1 0 327.428 2.763 40 0 EFABRO CO[C@@]1(COc2ccc(F)cc2)CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585275910 479306403 /nfs/dbraw/zinc/30/64/03/479306403.db2.gz GNIFHJCDTIXCIC-SFHVURJKSA-N 1 0 333.407 2.836 40 0 EFABRO O[C@]1(COc2ccc(F)cc2)COCC[N@H+](CC2CCCCC2)C1 ZINC000585278117 479307569 /nfs/dbraw/zinc/30/75/69/479307569.db2.gz ZTHWUOSASOCELS-IBGZPJMESA-N 1 0 337.435 2.848 40 0 EFABRO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCCC2)C1 ZINC000585281712 479308378 /nfs/dbraw/zinc/30/83/78/479308378.db2.gz PXLYQPGBIIFAGK-QGZVFWFLSA-N 1 0 325.836 2.725 40 0 EFABRO C[N@@H+]1CCC[C@H](NC(=O)Cc2cccnc2)[C@@H]1Cc1cccc(F)c1 ZINC000585281107 479308722 /nfs/dbraw/zinc/30/87/22/479308722.db2.gz TUOHQMAJRFYPFQ-OALUTQOASA-N 1 0 341.430 2.585 40 0 EFABRO C[C@]1(C(N)=O)CCC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282272 479308735 /nfs/dbraw/zinc/30/87/35/479308735.db2.gz COFJVRHHJKXIDU-YSIASYRMSA-N 1 0 330.472 2.663 40 0 EFABRO Cn1cncc1C[NH2+]C[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585286978 479310045 /nfs/dbraw/zinc/31/00/45/479310045.db2.gz PUXMLHYSSYNNBA-FSPWUOQZSA-N 1 0 349.862 2.772 40 0 EFABRO Cc1ccc(O[C@@H]2CC[C@H](C[NH2+]Cc3ncccc3F)[C@H]2O)cc1 ZINC000585286624 479310108 /nfs/dbraw/zinc/31/01/08/479310108.db2.gz NQUYJXFWVRPBDD-NIKGAXFTSA-N 1 0 330.403 2.837 40 0 EFABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000585290053 479310440 /nfs/dbraw/zinc/31/04/40/479310440.db2.gz QURQBKHWJBTBED-IPMKNSEASA-N 1 0 336.451 2.562 40 0 EFABRO Cc1cnccc1C[N@H+]1CCC[C@]12CC(C)(C)O[C@H]2CC(=O)N(C)C ZINC000585290565 479310495 /nfs/dbraw/zinc/31/04/95/479310495.db2.gz FKWFFQZXAJLYTR-FXAWDEMLSA-N 1 0 345.487 2.770 40 0 EFABRO CO[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585290057 479310541 /nfs/dbraw/zinc/31/05/41/479310541.db2.gz QVJVNGHRETZAFB-ASIGSXEYSA-N 1 0 330.472 2.519 40 0 EFABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2Cl)[C@H](CO)[C@@H]1O ZINC000585293818 479310589 /nfs/dbraw/zinc/31/05/89/479310589.db2.gz AQDFDLOIFHJLHW-BHIYHBOVSA-N 1 0 331.843 2.970 40 0 EFABRO OCC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289580 479310793 /nfs/dbraw/zinc/31/07/93/479310793.db2.gz RVFUQJMOVGOAAS-PWRODBHTSA-N 1 0 341.451 2.842 40 0 EFABRO C[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC000171301786 534309193 /nfs/dbraw/zinc/30/91/93/534309193.db2.gz VXYDMKBZPKRSCB-QGZVFWFLSA-N 1 0 345.487 2.514 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1 ZINC000012142295 526332932 /nfs/dbraw/zinc/33/29/32/526332932.db2.gz JWBARSYVGIUVHM-INIZCTEOSA-N 1 0 338.390 2.539 40 0 EFABRO CCCn1c(C)nnc1CN1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000159141328 528814939 /nfs/dbraw/zinc/81/49/39/528814939.db2.gz LDQZVARNQYJOEQ-MRXNPFEDSA-N 1 0 328.464 2.634 40 0 EFABRO CC[NH+](CC)C[C@H]1Cn2nccc2CN(C(=O)c2cc(C)oc2C)C1 ZINC000247844566 535599058 /nfs/dbraw/zinc/59/90/58/535599058.db2.gz RRCMTUJJJCTFKW-MRXNPFEDSA-N 1 0 344.459 2.707 40 0 EFABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223210178 535832741 /nfs/dbraw/zinc/83/27/41/535832741.db2.gz OJZYXDDGKNTHCS-HZPDHXFCSA-N 1 0 330.457 2.599 40 0 EFABRO CCc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257277835 535865252 /nfs/dbraw/zinc/86/52/52/535865252.db2.gz NZQSROYCNKVVAV-OAHLLOKOSA-N 1 0 345.472 2.534 40 0 EFABRO C[NH+](C)CC[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 ZINC000248133003 535924056 /nfs/dbraw/zinc/92/40/56/535924056.db2.gz QYCSVWVYPXGLJC-QGZVFWFLSA-N 1 0 349.438 2.580 40 0 EFABRO COCCCNC(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257339620 536587756 /nfs/dbraw/zinc/58/77/56/536587756.db2.gz ZCNFWRPSBKRPNV-UHFFFAOYSA-N 1 0 327.428 2.577 40 0 EFABRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3ccccc3C3CC3)C2)n1 ZINC000584908790 564133941 /nfs/dbraw/zinc/13/39/41/564133941.db2.gz HKJKVAJBHYEEJV-KRWDZBQOSA-N 1 0 338.455 2.957 40 0 EFABRO C=Cn1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000225583085 564149825 /nfs/dbraw/zinc/14/98/25/564149825.db2.gz OBHPLWKJRSLCDZ-XHDPSFHLSA-N 1 0 336.233 2.958 40 0 EFABRO COc1ccc(CNC(=O)C2CC[NH+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000225579692 568423115 /nfs/dbraw/zinc/42/31/15/568423115.db2.gz FMPHGCZAHOJOAB-LJQANCHMSA-N 1 0 344.455 2.716 40 0 EFABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000952847831 1284864915 /nfs/dbraw/zinc/86/49/15/1284864915.db2.gz ACEKAVQGMPXQCD-PKOBYXMFSA-N 1 0 345.487 2.992 40 0 EFABRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000146230952 1296574517 /nfs/dbraw/zinc/57/45/17/1296574517.db2.gz FPLKLNINPXCYAO-HXUWFJFHSA-N 1 0 338.451 2.936 40 0 EFABRO CC(C)Cc1ccccc1C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001332670451 1330998648 /nfs/dbraw/zinc/99/86/48/1330998648.db2.gz UCZONFQIYDPNQK-FQEVSTJZSA-N 1 0 343.471 2.695 40 0 EFABRO CCn1nc(C)c2c1nc(C)cc2C(=O)NCCC[NH+](CC)CC ZINC000032611524 1099507286 /nfs/dbraw/zinc/50/72/86/1099507286.db2.gz LWDHHFMAVNPVRI-UHFFFAOYSA-N 1 0 331.464 2.530 40 0 EFABRO CC(C)C(=O)N1CCC([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000675020055 1099654266 /nfs/dbraw/zinc/65/42/66/1099654266.db2.gz APVAUJHKOHDSLF-PMACEKPBSA-N 1 0 344.499 2.622 40 0 EFABRO O=C(NCCc1ccccc1)N(CC[NH+]1CCCC1)C1CCOCC1 ZINC000675022677 1099658509 /nfs/dbraw/zinc/65/85/09/1099658509.db2.gz RURCWIQAMSGBIX-UHFFFAOYSA-N 1 0 345.487 2.516 40 0 EFABRO CC(C)(Nc1ccccc1)C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000899925759 1109551493 /nfs/dbraw/zinc/55/14/93/1109551493.db2.gz HASZGCGNQCRWPB-GOSISDBHSA-N 1 0 345.487 2.637 40 0 EFABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178422 219094011 /nfs/dbraw/zinc/09/40/11/219094011.db2.gz OZMSBCMFQFZVJC-CALCHBBNSA-N 1 0 332.444 2.681 40 0 EFABRO CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CC[NH2+]CC1 ZINC000012275246 201835795 /nfs/dbraw/zinc/83/57/95/201835795.db2.gz WJCFJEMGLMINTC-UHFFFAOYSA-N 1 0 332.375 2.956 40 0 EFABRO COc1cc(OC)cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000013673431 201908109 /nfs/dbraw/zinc/90/81/09/201908109.db2.gz NOHYCXLNEVFIOY-GJZGRUSLSA-N 1 0 334.460 2.802 40 0 EFABRO CC(C)(C)c1ccc(=O)n(CN2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000066793225 215079560 /nfs/dbraw/zinc/07/95/60/215079560.db2.gz AHCANPSRTOOHCM-UHFFFAOYSA-N 1 0 346.519 2.696 40 0 EFABRO Cc1ccsc1C[N@@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000019238700 202000809 /nfs/dbraw/zinc/00/08/09/202000809.db2.gz GGQCXCPAXSMZNC-UHFFFAOYSA-N 1 0 338.436 2.760 40 0 EFABRO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000019286433 202002527 /nfs/dbraw/zinc/00/25/27/202002527.db2.gz GUIWDBMAPHYEOJ-UHFFFAOYSA-N 1 0 337.345 2.698 40 0 EFABRO COc1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019291411 202002744 /nfs/dbraw/zinc/00/27/44/202002744.db2.gz ZVCNAGBJLHKQED-XEWABKELSA-N 1 0 341.455 2.548 40 0 EFABRO O=C(CCC1CCCC1)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019292430 202002925 /nfs/dbraw/zinc/00/29/25/202002925.db2.gz LMLLTACRRASYHV-UHFFFAOYSA-N 1 0 342.487 2.799 40 0 EFABRO O=C(CCC1CCCC1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292375 202003270 /nfs/dbraw/zinc/00/32/70/202003270.db2.gz ABBHRGFNLWPJIW-MRXNPFEDSA-N 1 0 342.487 2.799 40 0 EFABRO O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292246 202003412 /nfs/dbraw/zinc/00/34/12/202003412.db2.gz SXKSYGUIXUZFKE-KRWDZBQOSA-N 1 0 328.460 2.756 40 0 EFABRO Cc1nccn1CC1(O)CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC000019288018 202003470 /nfs/dbraw/zinc/00/34/70/202003470.db2.gz RBZVJPHMNZVLSY-UHFFFAOYSA-N 1 0 338.455 2.710 40 0 EFABRO c1ccc(CC[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019371248 202005422 /nfs/dbraw/zinc/00/54/22/202005422.db2.gz KVMRWGUUMRPNLE-UHFFFAOYSA-N 1 0 335.411 2.949 40 0 EFABRO O[C@@H]1C[C@H]2CN(Cc3cccs3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372795 202005949 /nfs/dbraw/zinc/00/59/49/202005949.db2.gz FRXOEIOGMWMNCF-OKZBNKHCSA-N 1 0 328.481 2.610 40 0 EFABRO C[C@H](Cn1cc(Cl)cn1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000019457385 202008196 /nfs/dbraw/zinc/00/81/96/202008196.db2.gz ZBGTWWPXXHNHIS-CYBMUJFWSA-N 1 0 326.872 2.553 40 0 EFABRO CCCn1nc(C)c(CN(CC[NH+](C)C)Cc2ccccn2)c1C ZINC000019525838 202010029 /nfs/dbraw/zinc/01/00/29/202010029.db2.gz GNXBIOYSQXFVPW-UHFFFAOYSA-N 1 0 329.492 2.869 40 0 EFABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)c1 ZINC000019555390 202011197 /nfs/dbraw/zinc/01/11/97/202011197.db2.gz YZOYXAIZQVCKSL-MRXNPFEDSA-N 1 0 327.428 2.775 40 0 EFABRO COc1cc(C)c(CN(CC[NH+](C)C)Cc2ccccn2)cc1OC ZINC000019567011 202011253 /nfs/dbraw/zinc/01/12/53/202011253.db2.gz WQTVZNOCOJRGKR-UHFFFAOYSA-N 1 0 343.471 2.971 40 0 EFABRO Cc1nc(-c2cccnc2)sc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000019561106 202011934 /nfs/dbraw/zinc/01/19/34/202011934.db2.gz XNQCDOJUKCXMRD-UHFFFAOYSA-N 1 0 344.484 2.975 40 0 EFABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000019581934 202012832 /nfs/dbraw/zinc/01/28/32/202012832.db2.gz AHMIVHPIAUIGEX-ZDUSSCGKSA-N 1 0 348.472 2.673 40 0 EFABRO COc1ccc(CN(CC[NH+](C)C)Cc2ccncc2)c(OC)c1 ZINC000019582714 202013580 /nfs/dbraw/zinc/01/35/80/202013580.db2.gz XFHJMEAJUWUTKJ-UHFFFAOYSA-N 1 0 329.444 2.663 40 0 EFABRO CN(CCC[NH+]1CCCCC1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000019586084 202013999 /nfs/dbraw/zinc/01/39/99/202013999.db2.gz JADNTNBDUVPRQY-QGZVFWFLSA-N 1 0 336.863 2.978 40 0 EFABRO Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019577494 202014209 /nfs/dbraw/zinc/01/42/09/202014209.db2.gz DWMOUHMAZSZJOJ-DOMZBBRYSA-N 1 0 340.899 2.905 40 0 EFABRO CC(C)(CNC(=O)c1ccnc(N2CCCC2)c1)[NH+]1CCCCC1 ZINC000019717654 202016413 /nfs/dbraw/zinc/01/64/13/202016413.db2.gz IVTSEZVQCAITOK-UHFFFAOYSA-N 1 0 330.476 2.676 40 0 EFABRO CCN1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020044669 202030514 /nfs/dbraw/zinc/03/05/14/202030514.db2.gz RAWYCXMLFRFNSZ-QGZVFWFLSA-N 1 0 329.488 2.696 40 0 EFABRO Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NCC[NH+](C)C ZINC000020661975 202052826 /nfs/dbraw/zinc/05/28/26/202052826.db2.gz HGCPEHQHRNQTKT-UHFFFAOYSA-N 1 0 330.823 2.751 40 0 EFABRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1CCC1CCCC1 ZINC000021986865 202076780 /nfs/dbraw/zinc/07/67/80/202076780.db2.gz NQMFWNCNPSQBQV-UHFFFAOYSA-N 1 0 337.489 2.852 40 0 EFABRO CCN1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029797 202077677 /nfs/dbraw/zinc/07/76/77/202077677.db2.gz VHZCEHVYTHWFHP-CYBMUJFWSA-N 1 0 345.365 2.598 40 0 EFABRO CC(C)(CNC(=O)CCc1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000022622611 202088978 /nfs/dbraw/zinc/08/89/78/202088978.db2.gz BUAAVXYHTWURSZ-UHFFFAOYSA-N 1 0 328.460 2.876 40 0 EFABRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccccc1F ZINC000025368718 202129470 /nfs/dbraw/zinc/12/94/70/202129470.db2.gz HJGYNJXFGSIDCR-MRXNPFEDSA-N 1 0 347.386 2.564 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccnc3)CC2)cc1 ZINC000025065685 202125463 /nfs/dbraw/zinc/12/54/63/202125463.db2.gz NNXXKIOLEZEKJL-UHFFFAOYSA-N 1 0 340.427 2.830 40 0 EFABRO O=S1(=O)CC[C@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000027987467 202162924 /nfs/dbraw/zinc/16/29/24/202162924.db2.gz GQHIKKCWZCYXIB-ZDUSSCGKSA-N 1 0 325.817 2.877 40 0 EFABRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)cc1 ZINC000031666742 202207827 /nfs/dbraw/zinc/20/78/27/202207827.db2.gz DCFXLFCESPOVKE-HXUWFJFHSA-N 1 0 340.467 2.865 40 0 EFABRO Cc1cc(C)n(-c2cncc(NC[C@@H](c3ccco3)[NH+](C)C)n2)n1 ZINC000068658637 202235158 /nfs/dbraw/zinc/23/51/58/202235158.db2.gz JWPFODRGYUJCFP-AWEZNQCLSA-N 1 0 326.404 2.587 40 0 EFABRO O=C(NCc1ccco1)c1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000069249934 202274132 /nfs/dbraw/zinc/27/41/32/202274132.db2.gz CHGCJDRXWZQHCM-SFHVURJKSA-N 1 0 342.439 2.947 40 0 EFABRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000070172124 202308915 /nfs/dbraw/zinc/30/89/15/202308915.db2.gz KOUHVDGTOWGRRB-NXEZZACHSA-N 1 0 329.213 2.788 40 0 EFABRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000070172123 202309418 /nfs/dbraw/zinc/30/94/18/202309418.db2.gz KOUHVDGTOWGRRB-VHSXEESVSA-N 1 0 329.213 2.788 40 0 EFABRO Cc1ccc(C)c([C@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000074003423 202367455 /nfs/dbraw/zinc/36/74/55/202367455.db2.gz ABYUFNBRMKUTED-INIZCTEOSA-N 1 0 333.476 2.774 40 0 EFABRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1nnc(CC3CCCC3)s1)C2 ZINC000072946053 202368598 /nfs/dbraw/zinc/36/85/98/202368598.db2.gz AZOFXGOONLAGGU-UONOGXRCSA-N 1 0 349.504 2.971 40 0 EFABRO CCn1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cn1 ZINC000073303317 202369492 /nfs/dbraw/zinc/36/94/92/202369492.db2.gz SZZKLHOZCYCUMQ-OAHLLOKOSA-N 1 0 342.443 2.876 40 0 EFABRO CC(C)(C)/C=C/C(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000074565899 202374073 /nfs/dbraw/zinc/37/40/73/202374073.db2.gz JIKHGUWLHXZFMG-SCOAYWHSSA-N 1 0 343.471 2.925 40 0 EFABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)COc1ccccc1Cl ZINC000073642499 202370037 /nfs/dbraw/zinc/37/00/37/202370037.db2.gz PGVVDKUUIHLBKG-UHFFFAOYSA-N 1 0 329.787 2.767 40 0 EFABRO Clc1cccc([C@H](C[NH2+]Cc2cccnc2)N2CCOCC2)c1 ZINC000078553697 202395776 /nfs/dbraw/zinc/39/57/76/202395776.db2.gz CIWRHUXTIOENBN-SFHVURJKSA-N 1 0 331.847 2.898 40 0 EFABRO c1cn(-c2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)cn1 ZINC000078612748 202398622 /nfs/dbraw/zinc/39/86/22/202398622.db2.gz JLCTZVKROSBJRO-UHFFFAOYSA-N 1 0 330.395 2.947 40 0 EFABRO CCC[N@@H+]1CCCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000078394545 202390420 /nfs/dbraw/zinc/39/04/20/202390420.db2.gz GQDGJEAAIWZFGP-UHFFFAOYSA-N 1 0 344.484 2.692 40 0 EFABRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1OCC1CC1 ZINC000078394147 202390629 /nfs/dbraw/zinc/39/06/29/202390629.db2.gz MLKVXYNPVSSSII-SFHVURJKSA-N 1 0 341.455 2.831 40 0 EFABRO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000077315068 202391528 /nfs/dbraw/zinc/39/15/28/202391528.db2.gz CDLCUTRHILIPMR-ICSRJNTNSA-N 1 0 343.515 2.602 40 0 EFABRO Cc1nc(C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)no1 ZINC000077274865 202391680 /nfs/dbraw/zinc/39/16/80/202391680.db2.gz YYMLCMNYWALNPT-UHFFFAOYSA-N 1 0 339.399 2.850 40 0 EFABRO Cc1nc2sccn2c1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000077403646 202393427 /nfs/dbraw/zinc/39/34/27/202393427.db2.gz ZDXUIYCMYVHOPF-UHFFFAOYSA-N 1 0 349.481 2.539 40 0 EFABRO CC1(C)CC(NC(=O)c2ccc(Cn3cccn3)o2)CC(C)(C)[NH2+]1 ZINC000027981354 212591657 /nfs/dbraw/zinc/59/16/57/212591657.db2.gz HSXBHKSPGDMJBP-UHFFFAOYSA-N 1 0 330.432 2.563 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F ZINC000189377566 201048351 /nfs/dbraw/zinc/04/83/51/201048351.db2.gz YTHGPEYGYJCQAC-GDBMZVCRSA-N 1 0 330.394 2.896 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F ZINC000189377588 201048522 /nfs/dbraw/zinc/04/85/22/201048522.db2.gz YTHGPEYGYJCQAC-GOEBONIOSA-N 1 0 330.394 2.896 40 0 EFABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000226752813 201038502 /nfs/dbraw/zinc/03/85/02/201038502.db2.gz LNUPTHQNWBYSRS-SJORKVTESA-N 1 0 338.407 2.742 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H](c2ccccc2)C1 ZINC000226751488 201038715 /nfs/dbraw/zinc/03/87/15/201038715.db2.gz XRIYYAKHQNIHSG-ZIAGYGMSSA-N 1 0 328.441 2.699 40 0 EFABRO CC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000226751669 201038800 /nfs/dbraw/zinc/03/88/00/201038800.db2.gz KGTLYBBHWIXHSZ-MOPGFXCFSA-N 1 0 337.423 2.929 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000245344209 201152683 /nfs/dbraw/zinc/15/26/83/201152683.db2.gz YCUIMVLIRQESNB-RHSMWYFYSA-N 1 0 327.403 2.861 40 0 EFABRO Cc1nnsc1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000191418806 239100293 /nfs/dbraw/zinc/10/02/93/239100293.db2.gz DGMVRFUSPVNJFC-UHFFFAOYSA-N 1 0 338.864 2.704 40 0 EFABRO COc1ccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)nn1 ZINC000283323356 201330126 /nfs/dbraw/zinc/33/01/26/201330126.db2.gz ZVBYLBVOOFSRIR-GOSISDBHSA-N 1 0 327.428 2.747 40 0 EFABRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000152163222 201391811 /nfs/dbraw/zinc/39/18/11/201391811.db2.gz JCUFYJDRJPPACG-QZTJIDSGSA-N 1 0 349.519 2.535 40 0 EFABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085468130 202617811 /nfs/dbraw/zinc/61/78/11/202617811.db2.gz VSCLUJBLGNSVCM-KRWDZBQOSA-N 1 0 335.536 2.831 40 0 EFABRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1O ZINC000022926517 212335632 /nfs/dbraw/zinc/33/56/32/212335632.db2.gz MUXWXVPBCHZZGU-UHFFFAOYSA-N 1 0 334.460 2.526 40 0 EFABRO C[NH+]1CCN([C@@H](CNC(=O)CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000022794510 212325631 /nfs/dbraw/zinc/32/56/31/212325631.db2.gz YFOMLWQYNPGHSG-KRWDZBQOSA-N 1 0 335.467 2.667 40 0 EFABRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499636 240307079 /nfs/dbraw/zinc/30/70/79/240307079.db2.gz SDDHHVVWJBUFNQ-BDAKNGLRSA-N 1 0 335.206 2.688 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccs3)CCO2)[nH+]1 ZINC000257339029 240313267 /nfs/dbraw/zinc/31/32/67/240313267.db2.gz YZWZOPBGZVALLH-HNNXBMFYSA-N 1 0 331.441 2.731 40 0 EFABRO Cc1csc(N2CC[NH+]([C@@H](C)Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000059299137 202776678 /nfs/dbraw/zinc/77/66/78/202776678.db2.gz ZDFJACWXFWFFKY-AWEZNQCLSA-N 1 0 345.468 2.933 40 0 in-man EFABRO CSc1cncc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000195566577 241015019 /nfs/dbraw/zinc/01/50/19/241015019.db2.gz QTTPLQCQJRXXKO-DZGCQCFKSA-N 1 0 329.473 2.916 40 0 EFABRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(C)cc2N)cc1 ZINC000216867708 241217684 /nfs/dbraw/zinc/21/76/84/241217684.db2.gz RTJYFBBXYIQGNK-UHFFFAOYSA-N 1 0 338.455 2.890 40 0 EFABRO COc1cccc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)c1 ZINC000000316296 201460120 /nfs/dbraw/zinc/46/01/20/201460120.db2.gz JCWKZYLXQAHFSG-INIZCTEOSA-N 1 0 341.431 2.531 40 0 EFABRO [NH3+][C@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217926529 241284179 /nfs/dbraw/zinc/28/41/79/241284179.db2.gz DAILXBGNKDRPOR-KKUMJFAQSA-N 1 0 325.792 2.746 40 0 EFABRO CCOC[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037696 241292383 /nfs/dbraw/zinc/29/23/83/241292383.db2.gz LJBXAPWNYOTERF-CEXWTWQISA-N 1 0 345.464 2.608 40 0 EFABRO [NH3+]C[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662943 241336588 /nfs/dbraw/zinc/33/65/88/241336588.db2.gz NIEWYMNUGXVWDQ-ARFHVFGLSA-N 1 0 339.819 2.994 40 0 EFABRO [NH3+]C[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662857 241337053 /nfs/dbraw/zinc/33/70/53/241337053.db2.gz NIEWYMNUGXVWDQ-BZUAXINKSA-N 1 0 339.819 2.994 40 0 EFABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Cl ZINC000225562096 241929482 /nfs/dbraw/zinc/92/94/82/241929482.db2.gz NLZJYBFIIBPDCA-UHFFFAOYSA-N 1 0 336.863 2.961 40 0 EFABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000225568062 241932745 /nfs/dbraw/zinc/93/27/45/241932745.db2.gz DVZICLFODMQTAY-AWEZNQCLSA-N 1 0 340.439 2.912 40 0 EFABRO Cc1cc(NC(=S)NC2CC[NH+](C)CC2)ccc1N1CCCC1=O ZINC000225800450 242040409 /nfs/dbraw/zinc/04/04/09/242040409.db2.gz QCVYSZRXCHMSRS-UHFFFAOYSA-N 1 0 346.500 2.502 40 0 EFABRO CCOC(=O)c1ccc(C)c(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000225800165 242041753 /nfs/dbraw/zinc/04/17/53/242041753.db2.gz ZQJFJQWOCBNJKN-UHFFFAOYSA-N 1 0 335.473 2.552 40 0 EFABRO O=C(NCC1CC1)[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096061164 283949055 /nfs/dbraw/zinc/94/90/55/283949055.db2.gz MJQDWIYGKCJUGE-MRXNPFEDSA-N 1 0 334.485 2.788 40 0 EFABRO COc1cccnc1NC(=S)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000225732286 242008585 /nfs/dbraw/zinc/00/85/85/242008585.db2.gz QKJHWCVQEFACNE-KBPBESRZSA-N 1 0 336.505 2.745 40 0 EFABRO CC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000230104189 242232003 /nfs/dbraw/zinc/23/20/03/242232003.db2.gz KGTLYBBHWIXHSZ-OALUTQOASA-N 1 0 337.423 2.929 40 0 EFABRO c1ccc2c(c1)OC[C@H](C[NH2+]CCCOc1ccc3c(c1)OCO3)O2 ZINC000003799319 201581268 /nfs/dbraw/zinc/58/12/68/201581268.db2.gz MEEQBDCQPIZMLY-HNNXBMFYSA-N 1 0 343.379 2.614 40 0 world EFABRO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000241775891 243000592 /nfs/dbraw/zinc/00/05/92/243000592.db2.gz RPZLUEYMCCULTN-JFIYKMOQSA-N 1 0 346.471 2.594 40 0 EFABRO C[C@@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000241795535 243002893 /nfs/dbraw/zinc/00/28/93/243002893.db2.gz RZZPUBTTXNAANK-SJLPKXTDSA-N 1 0 345.487 2.644 40 0 EFABRO C[C@@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000241795533 243003653 /nfs/dbraw/zinc/00/36/53/243003653.db2.gz RZZPUBTTXNAANK-AEFFLSMTSA-N 1 0 345.487 2.644 40 0 EFABRO COC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000090717910 203006070 /nfs/dbraw/zinc/00/60/70/203006070.db2.gz NAQHUJNHJSMBJO-KRWDZBQOSA-N 1 0 336.863 2.959 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cccc(F)c2)Cc2cncn21 ZINC000248261591 243553577 /nfs/dbraw/zinc/55/35/77/243553577.db2.gz QVOYYZGAVVMCAB-QGZVFWFLSA-N 1 0 344.434 2.951 40 0 EFABRO CCS[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091349559 203074433 /nfs/dbraw/zinc/07/44/33/203074433.db2.gz OSDZAUNXMHVQCK-YUTCNCBUSA-N 1 0 328.503 2.659 40 0 EFABRO CCS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091349558 203074717 /nfs/dbraw/zinc/07/47/17/203074717.db2.gz OSDZAUNXMHVQCK-IACUBPJLSA-N 1 0 328.503 2.659 40 0 EFABRO CCCOc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150705 203093369 /nfs/dbraw/zinc/09/33/69/203093369.db2.gz MGUYEQINAHKNJS-UHFFFAOYSA-N 1 0 326.444 2.978 40 0 EFABRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC2CCSCC2)C1 ZINC000092160964 203077929 /nfs/dbraw/zinc/07/79/29/203077929.db2.gz LUHUZKCCHGYWJR-HNNXBMFYSA-N 1 0 333.501 2.691 40 0 EFABRO Cc1ccc(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000091920469 203078361 /nfs/dbraw/zinc/07/83/61/203078361.db2.gz QSXGVNLGSYSZOR-KBPBESRZSA-N 1 0 336.501 2.904 40 0 EFABRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000092101605 203078493 /nfs/dbraw/zinc/07/84/93/203078493.db2.gz FSOBFVWJFOFZAS-KRWDZBQOSA-N 1 0 340.427 2.569 40 0 EFABRO c1cc2n(c1)[C@H](COCc1ccncc1)C[N@H+](CC1CCOCC1)C2 ZINC000253595443 244029031 /nfs/dbraw/zinc/02/90/31/244029031.db2.gz DLHFGHKIHWOXCW-FQEVSTJZSA-N 1 0 341.455 2.883 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccoc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000253603159 244034755 /nfs/dbraw/zinc/03/47/55/244034755.db2.gz BNZWGNPSEMERGT-LSBZLQRGSA-N 1 0 332.444 2.565 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000253606726 244036240 /nfs/dbraw/zinc/03/62/40/244036240.db2.gz UFKDWVAPLZPVJC-SFHVURJKSA-N 1 0 339.439 2.875 40 0 EFABRO COc1ccc(CC[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1OC ZINC000256054561 244066378 /nfs/dbraw/zinc/06/63/78/244066378.db2.gz WUVWGDFQMRIJKO-UHFFFAOYSA-N 1 0 343.349 2.795 40 0 EFABRO c1c[nH]c(-c2cnc(C3CC[NH+](Cc4cncs4)CC3)cn2)n1 ZINC000257205503 244132971 /nfs/dbraw/zinc/13/29/71/244132971.db2.gz AZJRDKZSLAFMPY-UHFFFAOYSA-N 1 0 326.429 2.703 40 0 EFABRO Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257206795 244135879 /nfs/dbraw/zinc/13/58/79/244135879.db2.gz BEXFZPSNRGJVMI-SFHVURJKSA-N 1 0 341.459 2.503 40 0 EFABRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000071908344 203146554 /nfs/dbraw/zinc/14/65/54/203146554.db2.gz NQUCVLLKLXWVCB-UHFFFAOYSA-N 1 0 337.272 2.507 40 0 EFABRO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)cn1 ZINC000257199655 244114569 /nfs/dbraw/zinc/11/45/69/244114569.db2.gz AAHNGLFOZRQJHA-QGZVFWFLSA-N 1 0 325.460 2.701 40 0 EFABRO C[N@@H+]1CCC[C@@H](c2cncc(C(=O)NCc3ccccc3Cl)n2)C1 ZINC000257211256 244151065 /nfs/dbraw/zinc/15/10/65/244151065.db2.gz BYDXABUNGSLVNS-CQSZACIVSA-N 1 0 344.846 2.869 40 0 EFABRO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257211393 244151998 /nfs/dbraw/zinc/15/19/98/244151998.db2.gz BYRDGETZXFKHGS-LJQANCHMSA-N 1 0 349.438 2.931 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000257211956 244153078 /nfs/dbraw/zinc/15/30/78/244153078.db2.gz CBFVFIWTFWYXCY-OAHLLOKOSA-N 1 0 325.412 2.827 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)[nH+]1 ZINC000257215005 244164897 /nfs/dbraw/zinc/16/48/97/244164897.db2.gz COGUSOFBGDSDJK-SFHVURJKSA-N 1 0 343.402 2.809 40 0 EFABRO CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257217207 244170765 /nfs/dbraw/zinc/17/07/65/244170765.db2.gz CYABMYAVXZVDAD-QGZVFWFLSA-N 1 0 342.443 2.979 40 0 EFABRO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1 ZINC000257216575 244171493 /nfs/dbraw/zinc/17/14/93/244171493.db2.gz CVCPMKDNFCMCMF-ARFHVFGLSA-N 1 0 326.448 2.577 40 0 EFABRO CCn1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)c(C)n1 ZINC000257221529 244185187 /nfs/dbraw/zinc/18/51/87/244185187.db2.gz DPLGSOYQYZVFPM-HNNXBMFYSA-N 1 0 341.459 2.611 40 0 EFABRO COc1cccc(CN2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)c1F ZINC000257221601 244185641 /nfs/dbraw/zinc/18/56/41/244185641.db2.gz DPUPNZOGISYYCL-MRXNPFEDSA-N 1 0 345.418 2.645 40 0 EFABRO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000257225710 244199590 /nfs/dbraw/zinc/19/95/90/244199590.db2.gz FHKQICIWPABFSN-QGZVFWFLSA-N 1 0 326.444 2.800 40 0 EFABRO Cn1cncc1CN1CC[N@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257226428 244202716 /nfs/dbraw/zinc/20/27/16/244202716.db2.gz FKORNUUWSSZDND-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO O=C(C[NH+]1CCCCCC1)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257231424 244214271 /nfs/dbraw/zinc/21/42/71/244214271.db2.gz GGQAMOGLVKLHEK-NEWSRXKRSA-N 1 0 343.471 2.573 40 0 EFABRO c1cncc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)c1 ZINC000072377646 203209789 /nfs/dbraw/zinc/20/97/89/203209789.db2.gz ICBOTLZQBXJAKQ-MRXNPFEDSA-N 1 0 347.426 2.785 40 0 EFABRO CCN1C(=O)CC[C@@H]2[N@H+](Cc3c(C)nn(C)c3C)CCCC[C@@]21C ZINC000257243598 244250746 /nfs/dbraw/zinc/25/07/46/244250746.db2.gz IHSGGVHFYSYKOM-HKUYNNGSSA-N 1 0 332.492 2.792 40 0 EFABRO C[NH2+]CC(=O)N1CCC(c2cccc(Oc3ccccc3)n2)CC1 ZINC000072384517 203210545 /nfs/dbraw/zinc/21/05/45/203210545.db2.gz ILJWNMQPOOYGQI-UHFFFAOYSA-N 1 0 325.412 2.799 40 0 EFABRO CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072379015 203211101 /nfs/dbraw/zinc/21/11/01/203211101.db2.gz GAHLDZFNHROUOC-MRXNPFEDSA-N 1 0 341.459 2.616 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000257244778 244253003 /nfs/dbraw/zinc/25/30/03/244253003.db2.gz IMSFWHCKXCXFIM-GFCCVEGCSA-N 1 0 331.445 2.676 40 0 EFABRO C[N@@H+]1CCC[C@@H](c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257244086 244253178 /nfs/dbraw/zinc/25/31/78/244253178.db2.gz IJUGXMYRIJHOAZ-CQSZACIVSA-N 1 0 330.432 2.945 40 0 EFABRO Cc1cncc(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000257245142 244255748 /nfs/dbraw/zinc/25/57/48/244255748.db2.gz IOFNJZVQNSZGKF-UHFFFAOYSA-N 1 0 325.412 2.936 40 0 EFABRO CNC(=O)[C@]1(CCCc2ccccn2)CC[N@@H+]1CCc1ccccc1 ZINC000257234467 244224182 /nfs/dbraw/zinc/22/41/82/244224182.db2.gz GTPYLDNPKSLVFM-NRFANRHFSA-N 1 0 337.467 2.838 40 0 EFABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CC2(O)CCCCC2)n1 ZINC000257246060 244257407 /nfs/dbraw/zinc/25/74/07/244257407.db2.gz ISGSIVFAAAGHMZ-GOSISDBHSA-N 1 0 331.460 2.550 40 0 EFABRO CNC(=O)[C@@]1(CCCc2ccccn2)CC[N@@H+]1CCc1ccccc1 ZINC000257234468 244224574 /nfs/dbraw/zinc/22/45/74/244224574.db2.gz GTPYLDNPKSLVFM-OAQYLSRUSA-N 1 0 337.467 2.838 40 0 EFABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](C4CCOCC4)C3)ccc12 ZINC000257237396 244233187 /nfs/dbraw/zinc/23/31/87/244233187.db2.gz HGGQCYNITVENBW-IBGZPJMESA-N 1 0 328.460 2.809 40 0 EFABRO O=C(C[NH+]1CCCC1)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000072347584 203203944 /nfs/dbraw/zinc/20/39/44/203203944.db2.gz DDEQFKUNZNBUEI-KRWDZBQOSA-N 1 0 342.418 2.601 40 0 EFABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355424 203204052 /nfs/dbraw/zinc/20/40/52/203204052.db2.gz FQSMDIJVYIXOMK-MRXNPFEDSA-N 1 0 348.454 2.999 40 0 EFABRO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355425 203204275 /nfs/dbraw/zinc/20/42/75/203204275.db2.gz FQSMDIJVYIXOMK-INIZCTEOSA-N 1 0 348.454 2.999 40 0 EFABRO Cc1sc2c([C@H]3CCCN(C(=O)C[NH+](C)C)C3)nc(C)n2c1C ZINC000072351270 203204464 /nfs/dbraw/zinc/20/44/64/203204464.db2.gz YOIMWYFOVSNRNJ-AWEZNQCLSA-N 1 0 334.489 2.589 40 0 EFABRO Cc1nc(CC(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)cs1 ZINC000257239021 244239584 /nfs/dbraw/zinc/23/95/84/244239584.db2.gz HNOFZRCCNSYDMZ-QGZVFWFLSA-N 1 0 344.484 2.814 40 0 EFABRO C[NH2+]CC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1 ZINC000072363310 203205819 /nfs/dbraw/zinc/20/58/19/203205819.db2.gz XIPMMQCBKFSNQO-HNNXBMFYSA-N 1 0 340.427 2.503 40 0 EFABRO NC(=O)C1(CCCc2ccccn2)CC[NH+](Cc2cccnc2)CC1 ZINC000072367242 203207892 /nfs/dbraw/zinc/20/78/92/203207892.db2.gz XRCYZRMYDWSHEA-UHFFFAOYSA-N 1 0 338.455 2.567 40 0 EFABRO O=C(c1ccccn1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257243062 244247124 /nfs/dbraw/zinc/24/71/24/244247124.db2.gz IFHOGPRRIUICAR-QGZVFWFLSA-N 1 0 337.423 2.640 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375453 203208631 /nfs/dbraw/zinc/20/86/31/203208631.db2.gz APESDAXJLAAUAU-CYBMUJFWSA-N 1 0 331.445 2.507 40 0 EFABRO COCC[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376821 203208753 /nfs/dbraw/zinc/20/87/53/203208753.db2.gz TXILDFVFAZTFAI-QGZVFWFLSA-N 1 0 342.443 2.908 40 0 EFABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)c2nccnc21 ZINC000072393843 203214014 /nfs/dbraw/zinc/21/40/14/203214014.db2.gz RFAAMJYMIPPYHU-AWEZNQCLSA-N 1 0 325.391 2.882 40 0 EFABRO C[C@]12CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)[C@@H]1CCC[NH2+]2 ZINC000257255215 244279928 /nfs/dbraw/zinc/27/99/28/244279928.db2.gz KGPAHELZILLCPG-MJGOQNOKSA-N 1 0 342.418 2.963 40 0 EFABRO Cc1noc(C)c1C(=O)N1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257258242 244288799 /nfs/dbraw/zinc/28/87/99/244288799.db2.gz KSYHNHXOHGVHSH-CQSZACIVSA-N 1 0 328.416 2.691 40 0 EFABRO CC(=O)N(C)c1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000072588216 203237801 /nfs/dbraw/zinc/23/78/01/203237801.db2.gz UMKASMAMLPZDGD-UHFFFAOYSA-N 1 0 344.459 2.761 40 0 EFABRO COc1ccc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257266635 244363756 /nfs/dbraw/zinc/36/37/56/244363756.db2.gz MDVGUHPHVBBMSN-GOSISDBHSA-N 1 0 326.444 2.884 40 0 EFABRO Cc1cnccc1C[N@@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257271361 244379575 /nfs/dbraw/zinc/37/95/75/244379575.db2.gz MXZIJWZYUQNNCS-QGZVFWFLSA-N 1 0 334.427 2.745 40 0 EFABRO Cn1cnc(CN2CC[N@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270388 244376771 /nfs/dbraw/zinc/37/67/71/244376771.db2.gz MUAOLEFBTZBCGG-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257271037 244377822 /nfs/dbraw/zinc/37/78/22/244377822.db2.gz MWOCZAZITIRQHF-MRXNPFEDSA-N 1 0 338.459 2.555 40 0 EFABRO Cc1ccsc1C[N@H+]1CCOC[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257262554 244349330 /nfs/dbraw/zinc/34/93/30/244349330.db2.gz LLWYDCCUPAUKGJ-OAHLLOKOSA-N 1 0 346.500 2.604 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257272297 244381618 /nfs/dbraw/zinc/38/16/18/244381618.db2.gz NBWHRNNFKKMVCB-KRWDZBQOSA-N 1 0 334.427 2.745 40 0 EFABRO CC(C)n1ccnc1C[N@@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257275179 244391733 /nfs/dbraw/zinc/39/17/33/244391733.db2.gz NOGALIXPXOBHJR-UHFFFAOYSA-N 1 0 326.448 2.721 40 0 EFABRO COCC[NH+]1[C@H](C)CN(Cc2cnc(-c3cccnc3)s2)C[C@H]1C ZINC000093478816 203308454 /nfs/dbraw/zinc/30/84/54/203308454.db2.gz WAXWLPIEPVZGOU-HUUCEWRRSA-N 1 0 346.500 2.746 40 0 EFABRO Cc1cccc(Nc2nccnc2C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000257306753 244479091 /nfs/dbraw/zinc/47/90/91/244479091.db2.gz SVRJUMDZBLUBCM-MRXNPFEDSA-N 1 0 339.443 2.892 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000248757268 299403356 /nfs/dbraw/zinc/40/33/56/299403356.db2.gz VJLVPKAVHYJZTB-WBQNTZJQSA-N 1 0 335.469 2.698 40 0 EFABRO CCOc1ccccc1C[NH+]1CC2(C1)CO[C@@H](Cc1cncnc1)C2 ZINC000257319679 244515089 /nfs/dbraw/zinc/51/50/89/244515089.db2.gz VTPDIYHUHBXGBR-SFHVURJKSA-N 1 0 339.439 2.709 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2ccc3ccccc3c2)C1 ZINC000129592780 203550595 /nfs/dbraw/zinc/55/05/95/203550595.db2.gz QVCNREWXYCTRMU-KRWDZBQOSA-N 1 0 325.456 2.975 40 0 EFABRO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130209129 203552075 /nfs/dbraw/zinc/55/20/75/203552075.db2.gz HRMZKYLWIOJKFA-WMZOPIPTSA-N 1 0 335.467 2.986 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096107599 203835308 /nfs/dbraw/zinc/83/53/08/203835308.db2.gz GJLAIWLRIINWRM-RDJZCZTQSA-N 1 0 331.441 2.659 40 0 EFABRO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC000096048021 203806944 /nfs/dbraw/zinc/80/69/44/203806944.db2.gz APFNEPJLSDTSCE-HNNXBMFYSA-N 1 0 344.411 2.768 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cc(C)oc1C)C2 ZINC000096219868 203872482 /nfs/dbraw/zinc/87/24/82/203872482.db2.gz ZFVLSKHZVPXGIM-YLJYHZDGSA-N 1 0 346.471 2.717 40 0 EFABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1C ZINC000096261574 203885961 /nfs/dbraw/zinc/88/59/61/203885961.db2.gz YCDJERDDLLNDJS-FUHIMQAGSA-N 1 0 325.456 2.856 40 0 EFABRO CCOc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1OC ZINC000105005422 204131095 /nfs/dbraw/zinc/13/10/95/204131095.db2.gz GEQFXOOHMXATGN-HNNXBMFYSA-N 1 0 333.432 2.796 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000107207518 204227659 /nfs/dbraw/zinc/22/76/59/204227659.db2.gz LPGMULJPPUHMBM-QYZOEREBSA-N 1 0 328.412 2.932 40 0 EFABRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 ZINC000107203599 204228782 /nfs/dbraw/zinc/22/87/82/204228782.db2.gz LESHMQWAOUEQKD-AABGKKOBSA-N 1 0 339.487 2.652 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCC3)C2)cn1 ZINC000107712530 204244379 /nfs/dbraw/zinc/24/43/79/204244379.db2.gz NPZVKGKWKHXSNQ-OALUTQOASA-N 1 0 333.476 2.608 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000107731234 204246167 /nfs/dbraw/zinc/24/61/67/204246167.db2.gz QGHHWOWFABPJQQ-QAPCUYQASA-N 1 0 346.406 2.753 40 0 EFABRO Fc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108527056 204264944 /nfs/dbraw/zinc/26/49/44/204264944.db2.gz AYQHUEDKKKQEHE-PMACEKPBSA-N 1 0 341.430 2.696 40 0 EFABRO COCCNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108528750 204264955 /nfs/dbraw/zinc/26/49/55/204264955.db2.gz HCMCOVBFOGMSKY-LPHOPBHVSA-N 1 0 334.435 2.581 40 0 EFABRO Cc1ccccc1C[N@@H+]1CCC2(CC(NC(=O)c3ccnnc3)C2)C1 ZINC000108524616 204265658 /nfs/dbraw/zinc/26/56/58/204265658.db2.gz LPSFKYHROSUPTI-UHFFFAOYSA-N 1 0 336.439 2.570 40 0 EFABRO Cc1cccnc1C[N@@H+]1CCC2(CC(NC(=O)c3ccco3)C2)C1 ZINC000108529973 204266244 /nfs/dbraw/zinc/26/62/44/204266244.db2.gz KVMZRHLWUQKLPA-UHFFFAOYSA-N 1 0 325.412 2.768 40 0 EFABRO COCCN1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3C)CC2)C1=O ZINC000108525173 204266376 /nfs/dbraw/zinc/26/63/76/204266376.db2.gz HRLGFJBIPWBGQQ-FQEVSTJZSA-N 1 0 348.462 2.985 40 0 EFABRO Cn1cncc1C[NH+]1CCC2(CC(NC(=O)c3ccsc3)C2)CC1 ZINC000108529324 204266401 /nfs/dbraw/zinc/26/64/01/204266401.db2.gz PWWVXPAKRPHADH-UHFFFAOYSA-N 1 0 344.484 2.656 40 0 EFABRO CCOc1ccccc1-c1cc(C(=O)NCC[NH+](CC)CC)[nH]n1 ZINC000047705218 204339828 /nfs/dbraw/zinc/33/98/28/204339828.db2.gz MIGVUXKWCCLITA-UHFFFAOYSA-N 1 0 330.432 2.547 40 0 EFABRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(Br)c2)C1 ZINC000046877538 204336395 /nfs/dbraw/zinc/33/63/95/204336395.db2.gz ZQSNOACYPQTVAB-LBPRGKRZSA-N 1 0 325.250 2.911 40 0 EFABRO C[C@@H](O)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000047674745 204338967 /nfs/dbraw/zinc/33/89/67/204338967.db2.gz XDGVSVMBZRZPIY-OAHLLOKOSA-N 1 0 341.455 2.595 40 0 EFABRO CCOC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000048331813 204345213 /nfs/dbraw/zinc/34/52/13/204345213.db2.gz GJOOBJQOJQNYKF-CQSZACIVSA-N 1 0 333.432 2.859 40 0 EFABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170469 204369320 /nfs/dbraw/zinc/36/93/20/204369320.db2.gz AJXYSFZPHUTHTF-ZDUSSCGKSA-N 1 0 348.410 2.941 40 0 biogenic,in-vitro EFABRO COC(=O)c1ccc(C[NH+](C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000048149712 204341895 /nfs/dbraw/zinc/34/18/95/204341895.db2.gz YKCQAXSRGYQPJD-UHFFFAOYSA-N 1 0 327.380 2.892 40 0 EFABRO Cc1cccc2c(CCNC(=O)N3CC[C@@H](C[NH+](C)C)C3)c[nH]c21 ZINC000130131708 205225250 /nfs/dbraw/zinc/22/52/50/205225250.db2.gz XQLUYUJHBYSULA-HNNXBMFYSA-N 1 0 328.460 2.612 40 0 EFABRO C[NH+]1CCC(CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000134043708 205391049 /nfs/dbraw/zinc/39/10/49/205391049.db2.gz GWVFETBQUKDFAQ-UHFFFAOYSA-N 1 0 325.250 2.911 40 0 EFABRO CC[C@H](CO)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000006790346 205825031 /nfs/dbraw/zinc/82/50/31/205825031.db2.gz CCJAFJNCKBENAB-ZIAGYGMSSA-N 1 0 329.868 2.872 40 0 EFABRO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000012420190 211374934 /nfs/dbraw/zinc/37/49/34/211374934.db2.gz FACHZQKKZVGCFY-INMHGKMJSA-N 1 0 337.460 2.559 40 0 EFABRO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000010051758 211144783 /nfs/dbraw/zinc/14/47/83/211144783.db2.gz KCHDBRQCWCWCCN-GJZGRUSLSA-N 1 0 329.444 2.730 40 0 EFABRO CCC[NH+]1CCN(C2CCN(c3cc(C)nc(C4CC4)n3)CC2)CC1 ZINC000095397830 218329514 /nfs/dbraw/zinc/32/95/14/218329514.db2.gz VONUESZCGPEQSC-UHFFFAOYSA-N 1 0 343.519 2.659 40 0 EFABRO O=C1[C@H]([NH2+]CC2=CCCOC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000095428182 218369953 /nfs/dbraw/zinc/36/99/53/218369953.db2.gz BSZBSGILDGPRLE-OAHLLOKOSA-N 1 0 340.345 2.747 40 0 EFABRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000095422437 218365242 /nfs/dbraw/zinc/36/52/42/218365242.db2.gz JFKRZEACWNTUSL-CQSZACIVSA-N 1 0 345.464 2.918 40 0 EFABRO O=C(NCc1c(F)c(F)cc(F)c1F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000095426573 218368408 /nfs/dbraw/zinc/36/84/08/218368408.db2.gz IITQLAKGIDGAFS-AWEZNQCLSA-N 1 0 338.304 2.574 40 0 EFABRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000095429865 218372849 /nfs/dbraw/zinc/37/28/49/218372849.db2.gz LWMIOBZYFDUIHV-LBPRGKRZSA-N 1 0 343.254 2.977 40 0 EFABRO O=C1C[C@@H](C(F)(F)F)C2(CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000096261792 296342585 /nfs/dbraw/zinc/34/25/85/296342585.db2.gz TZBAGJANVSMFQX-CQSZACIVSA-N 1 0 326.362 2.967 40 0 EFABRO Cn1ccnc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096421360 218786853 /nfs/dbraw/zinc/78/68/53/218786853.db2.gz PSDULCRLWDDJLG-UHFFFAOYSA-N 1 0 346.862 2.716 40 0 EFABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000096436293 218815202 /nfs/dbraw/zinc/81/52/02/218815202.db2.gz ZIJOFIIICYKANJ-SFHVURJKSA-N 1 0 332.444 2.743 40 0 EFABRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000097103188 218955573 /nfs/dbraw/zinc/95/55/73/218955573.db2.gz OWLHADMPUYGUJW-UHFFFAOYSA-N 1 0 346.452 2.792 40 0 EFABRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000097370677 219016697 /nfs/dbraw/zinc/01/66/97/219016697.db2.gz KRKLXICMACZMFQ-NSHDSACASA-N 1 0 340.395 2.506 40 0 EFABRO Clc1cc2c(c(C[NH+]3CCC(Cn4ccnn4)CC3)c1)OCC2 ZINC000097371329 219016827 /nfs/dbraw/zinc/01/68/27/219016827.db2.gz NGYPBXHWSFOWOA-UHFFFAOYSA-N 1 0 332.835 2.779 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccnn2C)cc1 ZINC000097375029 219018470 /nfs/dbraw/zinc/01/84/70/219018470.db2.gz JLPXCJJTARMXNG-ZWKOTPCHSA-N 1 0 347.484 2.603 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000072216415 257688287 /nfs/dbraw/zinc/68/82/87/257688287.db2.gz RHGDMNWUXKDMCE-MRXNPFEDSA-N 1 0 346.475 2.953 40 0 EFABRO COc1cccc(-c2ccc3nc([C@H]4CCC[NH2+]C4)nn3c2)c1OC ZINC000306124706 257917639 /nfs/dbraw/zinc/91/76/39/257917639.db2.gz BWZRYZRIBRADMF-ZDUSSCGKSA-N 1 0 338.411 2.881 40 0 EFABRO O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000306135123 257922719 /nfs/dbraw/zinc/92/27/19/257922719.db2.gz OINATQLHZRSUAP-UHFFFAOYSA-N 1 0 328.437 2.615 40 0 EFABRO C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H](C)O1 ZINC000097044931 258068258 /nfs/dbraw/zinc/06/82/58/258068258.db2.gz YUHXPZZFASYIRI-AOOOYVTPSA-N 1 0 348.274 2.939 40 0 EFABRO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000013268143 285399970 /nfs/dbraw/zinc/39/99/70/285399970.db2.gz QHHMNJSLLHSPPE-UHFFFAOYSA-N 1 0 325.416 2.578 40 0 EFABRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000189717934 533375121 /nfs/dbraw/zinc/37/51/21/533375121.db2.gz OHGJXMYSSRTWNG-YOEHRIQHSA-N 1 0 331.464 2.946 40 0 EFABRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189677820 533401131 /nfs/dbraw/zinc/40/11/31/533401131.db2.gz DYTBBKBSDBXCNU-RDJZCZTQSA-N 1 0 332.444 2.976 40 0 EFABRO CC[NH+]1CCN(c2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1 ZINC000012222138 135693416 /nfs/dbraw/zinc/69/34/16/135693416.db2.gz NSTXCGACMRJRQJ-UHFFFAOYSA-N 1 0 335.411 2.941 40 0 EFABRO Cc1cc(-c2cnc(N3CCCCC3)nc2C2CC[NH2+]CC2)on1 ZINC000012232474 544424553 /nfs/dbraw/zinc/42/45/53/544424553.db2.gz IFSBNZHXPGVHDQ-UHFFFAOYSA-N 1 0 327.432 2.897 40 0 EFABRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780126 274515061 /nfs/dbraw/zinc/51/50/61/274515061.db2.gz NYOHCPVKYOHNKR-LIRRHRJNSA-N 1 0 345.464 2.575 40 0 EFABRO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](CC1CCCCC1)CC2 ZINC000019403830 275061869 /nfs/dbraw/zinc/06/18/69/275061869.db2.gz UHQLJCWEUHNTNG-UHFFFAOYSA-N 1 0 339.443 2.620 40 0 EFABRO c1coc(CN2CCO[C@]3(CCC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC000096226747 275074645 /nfs/dbraw/zinc/07/46/45/275074645.db2.gz YUADQZOXEVAWCY-IBGZPJMESA-N 1 0 327.428 2.542 40 0 EFABRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C)n1 ZINC000096434408 276139306 /nfs/dbraw/zinc/13/93/06/276139306.db2.gz YLCJVIQVFQURFE-KRWDZBQOSA-N 1 0 341.459 2.796 40 0 EFABRO CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH3+])c1ccccc1CC2 ZINC000000303643 276284431 /nfs/dbraw/zinc/28/44/31/276284431.db2.gz HJGLLZCKMKRCLO-UHFFFAOYSA-N 1 0 339.395 2.977 40 0 EFABRO CCO[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCCC2 ZINC000096493348 276488515 /nfs/dbraw/zinc/48/85/15/276488515.db2.gz INSFHJXLXNRJRT-CVEARBPZSA-N 1 0 332.492 2.874 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000133707541 277025081 /nfs/dbraw/zinc/02/50/81/277025081.db2.gz PYAOTRVATXGGQH-VKYMVXLJSA-N 1 0 338.398 2.832 40 0 EFABRO COc1ccc2[nH]cc(C(=O)N3CCCC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC000257230031 277432522 /nfs/dbraw/zinc/43/25/22/277432522.db2.gz GAMCSANDXOVECG-SCLBCKFNSA-N 1 0 327.428 2.781 40 0 EFABRO COCC[NH+]1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc1O2 ZINC000096242763 277515070 /nfs/dbraw/zinc/51/50/70/277515070.db2.gz PBYBOOHHKYKGLH-KRWDZBQOSA-N 1 0 344.455 2.517 40 0 EFABRO C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)C1CCOCC1 ZINC000089639272 277615256 /nfs/dbraw/zinc/61/52/56/277615256.db2.gz YNEHXNJVMUXWQX-OAHLLOKOSA-N 1 0 337.508 2.898 40 0 EFABRO COc1cc2c(cc1O)C[C@@H]1[NH2+]CCc3cc(OC)c(OC)c-2c31 ZINC000001697934 277852807 /nfs/dbraw/zinc/85/28/07/277852807.db2.gz GVVXPMORGFYVOO-ZDUSSCGKSA-N 1 0 327.380 2.828 40 0 endogenous,in-man EFABRO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CC2CCC(CC2)C1 ZINC000001723520 278180641 /nfs/dbraw/zinc/18/06/41/278180641.db2.gz SQLRCVQMIFTILZ-UHFFFAOYSA-N 1 0 341.455 2.872 40 0 EFABRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780127 278352795 /nfs/dbraw/zinc/35/27/95/278352795.db2.gz NYOHCPVKYOHNKR-KUHUBIRLSA-N 1 0 345.464 2.575 40 0 EFABRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000134793988 279385550 /nfs/dbraw/zinc/38/55/50/279385550.db2.gz KXUMOMBMMWATLD-CABNGKKXSA-N 1 0 340.265 2.581 40 0 EFABRO C[C@@H]1C[N@H+](CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000096483368 288149598 /nfs/dbraw/zinc/14/95/98/288149598.db2.gz LJTKZLYXNPAXOS-CABCVRRESA-N 1 0 326.481 2.917 40 0 EFABRO Fc1cc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2c(c1)COCO2 ZINC000194024476 294732954 /nfs/dbraw/zinc/73/29/54/294732954.db2.gz CXZUKINVSBLWIA-KBAYOESNSA-N 1 0 333.403 2.782 40 0 EFABRO Cc1nn([C@@H](C)CC(=O)NCC[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000019577566 302806283 /nfs/dbraw/zinc/80/62/83/302806283.db2.gz JDQUEVUBSYLFTH-ZDUSSCGKSA-N 1 0 340.899 2.953 40 0 EFABRO N=C1NC(=[NH2+])NC2(CCCCC2)N1c1ccc(Br)cc1 ZINC000003078052 303360184 /nfs/dbraw/zinc/36/01/84/303360184.db2.gz GNAILLBZLCJWMI-UHFFFAOYSA-N 1 0 336.237 2.559 40 0 EFABRO OC[C@@H]1CCCN(c2cc(N[C@H]3CCCC(F)(F)C3)ncn2)C1 ZINC000330172168 311308158 /nfs/dbraw/zinc/30/81/58/311308158.db2.gz GDIXWYDDDJORFA-OLZOCXBDSA-N 1 0 326.391 2.675 40 0 EFABRO Cc1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc(C)c1F ZINC000333339355 311601360 /nfs/dbraw/zinc/60/13/60/311601360.db2.gz XRTAPNPVEKTPHF-IRXDYDNUSA-N 1 0 334.435 2.801 40 0 EFABRO CN(CC[NH+](C)C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000097100518 323213826 /nfs/dbraw/zinc/21/38/26/323213826.db2.gz FVUOGHZGXZVSTN-GFCCVEGCSA-N 1 0 339.308 2.771 40 0 EFABRO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)C(=O)N1CCCC[C@H]1C ZINC000097236322 323214231 /nfs/dbraw/zinc/21/42/31/323214231.db2.gz FUAXXSRIZVDXPN-ZIAGYGMSSA-N 1 0 349.441 2.782 40 0 EFABRO Cc1cc(Cl)ccc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000130081540 323218279 /nfs/dbraw/zinc/21/82/79/323218279.db2.gz DABVOPRINHJIFP-UHFFFAOYSA-N 1 0 342.892 2.695 40 0 EFABRO Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000181416639 323233815 /nfs/dbraw/zinc/23/38/15/323233815.db2.gz YTMVYACURHZVSK-CYBMUJFWSA-N 1 0 343.402 2.698 40 0 EFABRO Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000181416614 323233839 /nfs/dbraw/zinc/23/38/39/323233839.db2.gz YTMVYACURHZVSK-ZDUSSCGKSA-N 1 0 343.402 2.698 40 0 EFABRO Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000195557000 323528743 /nfs/dbraw/zinc/52/87/43/323528743.db2.gz SVCDHVLTFJEZPA-JXFKEZNVSA-N 1 0 346.471 2.559 40 0 EFABRO CC1(C(=O)Nc2nnc3ccccn32)CC[NH+](Cc2ccccc2)CC1 ZINC000097102571 463323881 /nfs/dbraw/zinc/32/38/81/463323881.db2.gz FFZSPDQWATXSKK-UHFFFAOYSA-N 1 0 349.438 2.970 40 0 EFABRO CCCC[C@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000095466880 473210283 /nfs/dbraw/zinc/21/02/83/473210283.db2.gz CWVXSKBBNXKGKY-JTQLQIEISA-N 1 0 331.279 2.913 40 0 EFABRO CCCC[C@@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000095466881 473210604 /nfs/dbraw/zinc/21/06/04/473210604.db2.gz CWVXSKBBNXKGKY-SNVBAGLBSA-N 1 0 331.279 2.913 40 0 EFABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000095592126 473223593 /nfs/dbraw/zinc/22/35/93/473223593.db2.gz SDUBCOUFFIWCSZ-UHFFFAOYSA-N 1 0 344.846 2.926 40 0 EFABRO C[N@H+](CCCN1C(=O)CNC1=O)C1c2ccccc2-c2ccccc21 ZINC000081596690 473228325 /nfs/dbraw/zinc/22/83/25/473228325.db2.gz QDNKTZVJZKZGNI-UHFFFAOYSA-N 1 0 335.407 2.630 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C[C@H](c3ccccc3)[C@H]2C(=O)C1 ZINC000095951396 473228704 /nfs/dbraw/zinc/22/87/04/473228704.db2.gz KCWJWWVVXSJNTG-HLLBOEOZSA-N 1 0 330.428 2.568 40 0 EFABRO COc1ccc(C[NH+]2CCC3(CC2)c2ncc(C)n2CCN3C)cc1 ZINC000096037001 473258800 /nfs/dbraw/zinc/25/88/00/473258800.db2.gz PAFZCRRHDKXVTC-UHFFFAOYSA-N 1 0 340.471 2.637 40 0 EFABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039144 473259879 /nfs/dbraw/zinc/25/98/79/473259879.db2.gz NUDSVTVLBMFOIE-MOPGFXCFSA-N 1 0 335.444 2.721 40 0 EFABRO c1cncc(OC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096039995 473260338 /nfs/dbraw/zinc/26/03/38/473260338.db2.gz HVRVWFYCULTIII-VQTJNVASSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCOCc3ccccc3)O2)n1 ZINC000096041076 473260879 /nfs/dbraw/zinc/26/08/79/473260879.db2.gz XZLMQBMXMPUCHC-KZNAEPCWSA-N 1 0 343.427 2.889 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096040436 473261335 /nfs/dbraw/zinc/26/13/35/473261335.db2.gz IDSAUYJZXLFONT-QUCCMNQESA-N 1 0 346.471 2.758 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096040351 473261506 /nfs/dbraw/zinc/26/15/06/473261506.db2.gz YBAAHNBWFGSKGV-AZUAARDMSA-N 1 0 339.439 2.927 40 0 EFABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CCC3)C[C@H]21)NCc1cccs1 ZINC000096040864 473261670 /nfs/dbraw/zinc/26/16/70/473261670.db2.gz HFSNNHJSHGYBPV-NUJGCVRESA-N 1 0 348.512 2.749 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096040946 473262068 /nfs/dbraw/zinc/26/20/68/473262068.db2.gz ZDNLCQWJCQHOFI-QYZOEREBSA-N 1 0 343.427 2.635 40 0 EFABRO O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096043339 473264880 /nfs/dbraw/zinc/26/48/80/473264880.db2.gz ZMMJYXHQUBNTHT-FGTMMUONSA-N 1 0 332.444 2.565 40 0 EFABRO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096043002 473265098 /nfs/dbraw/zinc/26/50/98/473265098.db2.gz BCJLSILNLQNHII-OKZBNKHCSA-N 1 0 348.512 2.986 40 0 EFABRO Cn1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cn1 ZINC000096046655 473266395 /nfs/dbraw/zinc/26/63/95/473266395.db2.gz AVHPGCZMURHKSI-UHFFFAOYSA-N 1 0 344.484 2.610 40 0 EFABRO O=C(c1cnccn1)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC000096046671 473267082 /nfs/dbraw/zinc/26/70/82/473267082.db2.gz UEBUTKLTWUQNJO-UHFFFAOYSA-N 1 0 342.468 2.666 40 0 EFABRO Cc1nc(COC[C@@H]2C[N@H+](CC3CC3)Cc3ncn(C)c32)cs1 ZINC000096045038 473267100 /nfs/dbraw/zinc/26/71/00/473267100.db2.gz BMTKUKSBYRRYLS-AWEZNQCLSA-N 1 0 332.473 2.711 40 0 EFABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](CC1CCOCC1)C2 ZINC000096048764 473270537 /nfs/dbraw/zinc/27/05/37/473270537.db2.gz AXBILVDNNMIDHB-SFHVURJKSA-N 1 0 334.485 2.994 40 0 EFABRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096046894 473268830 /nfs/dbraw/zinc/26/88/30/473268830.db2.gz IDUHOAOSPHWNBC-UHFFFAOYSA-N 1 0 325.412 2.689 40 0 EFABRO Cn1cc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)cn1 ZINC000096047850 473269051 /nfs/dbraw/zinc/26/90/51/473269051.db2.gz CTHFLGWPHQYIPB-IBGZPJMESA-N 1 0 341.455 2.760 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](N4CCOCC4)CO3)CC2)s1 ZINC000096047967 473269745 /nfs/dbraw/zinc/26/97/45/473269745.db2.gz RCFNDJRDYRTNMM-MRXNPFEDSA-N 1 0 336.501 2.512 40 0 EFABRO COc1ccc(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)cc1 ZINC000096047801 473270200 /nfs/dbraw/zinc/27/02/00/473270200.db2.gz PLQNUBGIODNEME-KRWDZBQOSA-N 1 0 341.455 2.967 40 0 EFABRO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)nn1 ZINC000096048439 473271047 /nfs/dbraw/zinc/27/10/47/473271047.db2.gz NQBVHPHEFQBGNR-FUHWJXTLSA-N 1 0 328.416 2.614 40 0 EFABRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC000096461845 473433649 /nfs/dbraw/zinc/43/36/49/473433649.db2.gz CVRBCIPGIPFITP-MRXNPFEDSA-N 1 0 326.462 2.933 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3cccnc3)C2)CN1c1cccc(F)c1 ZINC000096050732 473273553 /nfs/dbraw/zinc/27/35/53/473273553.db2.gz PGFAWJPIUUZKFQ-LJQANCHMSA-N 1 0 325.387 2.850 40 0 EFABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096051611 473275143 /nfs/dbraw/zinc/27/51/43/473275143.db2.gz BATKMDFKMSCNAP-SFHVURJKSA-N 1 0 346.471 2.909 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](CC1CCOCC1)C2 ZINC000096050646 473273932 /nfs/dbraw/zinc/27/39/32/473273932.db2.gz QCUBQHUANMLDCE-HXUWFJFHSA-N 1 0 346.446 2.677 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)s1 ZINC000096050052 473274643 /nfs/dbraw/zinc/27/46/43/473274643.db2.gz MLFVGHKQHQWGNC-UHFFFAOYSA-N 1 0 349.544 2.821 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051188 473275698 /nfs/dbraw/zinc/27/56/98/473275698.db2.gz PMJYGVBIWDWOAJ-KRWDZBQOSA-N 1 0 345.397 2.609 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)c3cnccn3)CC2)o1 ZINC000096051488 473276325 /nfs/dbraw/zinc/27/63/25/473276325.db2.gz TVPADQGLDBDEGA-KRWDZBQOSA-N 1 0 340.427 2.553 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC[C@H]3NC(=O)c3cnccn3)CC2)o1 ZINC000096051489 473276796 /nfs/dbraw/zinc/27/67/96/473276796.db2.gz TVPADQGLDBDEGA-QGZVFWFLSA-N 1 0 340.427 2.553 40 0 EFABRO Cc1noc(C)c1CN1C[C@@]2(CC[N@H+](Cc3cccs3)C2)CC1=O ZINC000096050942 473276927 /nfs/dbraw/zinc/27/69/27/473276927.db2.gz CDBSZTQTHGNOJC-SFHVURJKSA-N 1 0 345.468 2.978 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055111 473278451 /nfs/dbraw/zinc/27/84/51/473278451.db2.gz VCDMXQBQZCWDQR-SJORKVTESA-N 1 0 329.469 2.618 40 0 EFABRO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)n1 ZINC000096055076 473278487 /nfs/dbraw/zinc/27/84/87/473278487.db2.gz QZYJRGYUHLKPJL-RBUKOAKNSA-N 1 0 343.496 2.927 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cs1 ZINC000096055032 473279097 /nfs/dbraw/zinc/27/90/97/473279097.db2.gz JHQVMIFJKJYNCS-MSOLQXFVSA-N 1 0 329.469 2.618 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051187 473275256 /nfs/dbraw/zinc/27/52/56/473275256.db2.gz PMJYGVBIWDWOAJ-QGZVFWFLSA-N 1 0 345.397 2.609 40 0 EFABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cs1 ZINC000096056584 473280896 /nfs/dbraw/zinc/28/08/96/473280896.db2.gz HAXIGSWAMVDUOT-IAGOWNOFSA-N 1 0 342.468 2.612 40 0 EFABRO c1cc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cs1 ZINC000096057922 473280977 /nfs/dbraw/zinc/28/09/77/473280977.db2.gz JONYWFBKUKGGSH-RCCFBDPRSA-N 1 0 336.501 2.592 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057123 473281448 /nfs/dbraw/zinc/28/14/48/473281448.db2.gz BRHZXCNMKVQHLR-WDYCEAGBSA-N 1 0 348.512 2.952 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)o1 ZINC000096057547 473281693 /nfs/dbraw/zinc/28/16/93/473281693.db2.gz MIIRXTYHHRXXHY-KZNAEPCWSA-N 1 0 344.411 2.619 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)s1 ZINC000096058258 473283092 /nfs/dbraw/zinc/28/30/92/473283092.db2.gz LCCRXCODLTUAAK-FGTMMUONSA-N 1 0 348.512 2.810 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)o1 ZINC000096061377 473284831 /nfs/dbraw/zinc/28/48/31/473284831.db2.gz CXTRFFNPXNPWJU-KRWDZBQOSA-N 1 0 325.412 2.621 40 0 EFABRO Fc1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)cc1 ZINC000096061048 473285045 /nfs/dbraw/zinc/28/50/45/473285045.db2.gz KRTRQEOKBVOBMZ-OAHLLOKOSA-N 1 0 344.415 2.834 40 0 EFABRO c1cc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)cs1 ZINC000096061030 473285128 /nfs/dbraw/zinc/28/51/28/473285128.db2.gz QACDYBDTQXLUAM-CYBMUJFWSA-N 1 0 332.454 2.757 40 0 EFABRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096061227 473286224 /nfs/dbraw/zinc/28/62/24/473286224.db2.gz WTDPSBGZVSDKBX-INIZCTEOSA-N 1 0 334.485 2.884 40 0 EFABRO O=C(c1cccnc1)N1CCC2(CC1)CC[NH+](C1CCOCC1)CC2 ZINC000096063007 473286640 /nfs/dbraw/zinc/28/66/40/473286640.db2.gz IJMAFENIRRKYFM-UHFFFAOYSA-N 1 0 343.471 2.579 40 0 EFABRO Cn1cccc1C[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC000096062866 473288081 /nfs/dbraw/zinc/28/80/81/473288081.db2.gz MFBPHKDLZHREKN-UHFFFAOYSA-N 1 0 338.455 2.548 40 0 EFABRO Cn1cc(C[NH+]2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cn1 ZINC000096073199 473289568 /nfs/dbraw/zinc/28/95/68/473289568.db2.gz UGNFPMSNHOFMIF-GOSISDBHSA-N 1 0 327.428 2.623 40 0 EFABRO COc1ccc2c(c1)C1(CCN(C(=O)c3ccc[nH]3)CC1)[N@@H+](C)CC2 ZINC000096079701 473291222 /nfs/dbraw/zinc/29/12/22/473291222.db2.gz VPYFGJMIZVRSAO-UHFFFAOYSA-N 1 0 339.439 2.643 40 0 EFABRO Fc1ccccc1C[NH+]1CCC2(C[C@@H](Nc3cnccn3)CO2)CC1 ZINC000096074291 473291825 /nfs/dbraw/zinc/29/18/25/473291825.db2.gz OQUFFKBNTOLLCD-MRXNPFEDSA-N 1 0 342.418 2.851 40 0 EFABRO C[N@H+](C[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000096075660 473291910 /nfs/dbraw/zinc/29/19/10/473291910.db2.gz TVWAYTZYFNSRCF-DNVCBOLYSA-N 1 0 333.451 2.686 40 0 EFABRO Cc1noc(C)c1CN1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000096081447 473292361 /nfs/dbraw/zinc/29/23/61/473292361.db2.gz BEVGCEVJIQLVLI-KGLIPLIRSA-N 1 0 331.382 2.998 40 0 EFABRO COc1ccc(CN2CCc3c(C[N@H+](C)C(C)C)nn(C)c3C2)cc1 ZINC000096084165 473293300 /nfs/dbraw/zinc/29/33/00/473293300.db2.gz IWCBNCLKVRPJMO-UHFFFAOYSA-N 1 0 342.487 2.827 40 0 EFABRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)CN1c1ccccn1 ZINC000096090381 473293720 /nfs/dbraw/zinc/29/37/20/473293720.db2.gz AGTJTKZPNAAYSI-LJQANCHMSA-N 1 0 325.387 2.850 40 0 EFABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096100337 473296449 /nfs/dbraw/zinc/29/64/49/473296449.db2.gz QKDJZCKEFKQOMM-OAQYLSRUSA-N 1 0 333.435 2.982 40 0 EFABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)nc1 ZINC000096106922 473298445 /nfs/dbraw/zinc/29/84/45/473298445.db2.gz SFJBETRXUYRXIN-LJQANCHMSA-N 1 0 346.471 2.648 40 0 EFABRO Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096107033 473300186 /nfs/dbraw/zinc/30/01/86/473300186.db2.gz QEGHARXBGRBITA-MRXNPFEDSA-N 1 0 343.402 2.818 40 0 EFABRO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2)cs1 ZINC000096108138 473300313 /nfs/dbraw/zinc/30/03/13/473300313.db2.gz OBCJJMWLNIFXNY-DOTOQJQBSA-N 1 0 349.525 2.846 40 0 EFABRO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096107396 473300587 /nfs/dbraw/zinc/30/05/87/473300587.db2.gz WLBNTXBTCFYDNN-APWZRJJASA-N 1 0 343.402 2.818 40 0 EFABRO c1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096108985 473301659 /nfs/dbraw/zinc/30/16/59/473301659.db2.gz PHVXPYBDPIXDBX-QAPCUYQASA-N 1 0 330.453 2.808 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC000096109084 473302436 /nfs/dbraw/zinc/30/24/36/473302436.db2.gz UAHGWMYJZISWKY-DYVFJYSZSA-N 1 0 349.431 2.513 40 0 EFABRO CO[C@@H]1CCN(Cc2scnc2C)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108609 473302553 /nfs/dbraw/zinc/30/25/53/473302553.db2.gz ZPFLPNWUCQCLHV-GVDBMIGSSA-N 1 0 347.484 2.766 40 0 EFABRO Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)n1 ZINC000096108891 473302588 /nfs/dbraw/zinc/30/25/88/473302588.db2.gz ZXCLNHGPOGGSJZ-SJLPKXTDSA-N 1 0 345.468 2.512 40 0 EFABRO O=C(NCCc1cccs1)[C@@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096110010 473303654 /nfs/dbraw/zinc/30/36/54/473303654.db2.gz MJWGIDSLGLYWQR-KRWDZBQOSA-N 1 0 348.512 2.830 40 0 EFABRO CC(C)C(=O)N1CC[C@H]2[N@H+](C)CC[C@@]2(C(=O)Nc2ccccc2)CC1 ZINC000096145278 473313171 /nfs/dbraw/zinc/31/31/71/473313171.db2.gz GKMAEWMGSUEONV-YLJYHZDGSA-N 1 0 343.471 2.594 40 0 EFABRO CN(CC1CC1)c1ccc2ccc(C(=O)N3CCC[N@H+](C)CC3)cn21 ZINC000096146158 473313691 /nfs/dbraw/zinc/31/36/91/473313691.db2.gz SDILRVROWCBGDN-UHFFFAOYSA-N 1 0 340.471 2.563 40 0 EFABRO O=C(CC(F)(F)F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096157420 473316081 /nfs/dbraw/zinc/31/60/81/473316081.db2.gz FBHNOVIAKKMCNN-UHFFFAOYSA-N 1 0 341.377 2.849 40 0 EFABRO Cc1nc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)cs1 ZINC000096157526 473316396 /nfs/dbraw/zinc/31/63/96/473316396.db2.gz IAOFIYJLFLEXFX-UHFFFAOYSA-N 1 0 329.473 2.734 40 0 EFABRO Fc1cnc(N2CCC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096158309 473318029 /nfs/dbraw/zinc/31/80/29/473318029.db2.gz LODXNLGHQFWIQK-GOSISDBHSA-N 1 0 327.407 2.503 40 0 EFABRO Cn1cccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096158143 473318768 /nfs/dbraw/zinc/31/87/68/473318768.db2.gz FFEUSRXZANGJQI-FQEVSTJZSA-N 1 0 338.455 2.548 40 0 EFABRO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000162250509 473320883 /nfs/dbraw/zinc/32/08/83/473320883.db2.gz YCTSGECCNXKDNE-HOTGVXAUSA-N 1 0 330.476 2.989 40 0 EFABRO C[N@H+](Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 ZINC000096182901 473325063 /nfs/dbraw/zinc/32/50/63/473325063.db2.gz YCZHTLKOSQLUCQ-BPQIPLTHSA-N 1 0 341.434 2.748 40 0 EFABRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000096184585 473325532 /nfs/dbraw/zinc/32/55/32/473325532.db2.gz WPZYIYLIXDVTNZ-SJORKVTESA-N 1 0 327.453 2.675 40 0 EFABRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)N1Cc1cccnc1 ZINC000096183984 473326199 /nfs/dbraw/zinc/32/61/99/473326199.db2.gz GDYHBNFIJPAYAR-ZWKOTPCHSA-N 1 0 325.387 2.596 40 0 EFABRO c1cncc(COC[C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccncc3)O2)c1 ZINC000096186130 473326496 /nfs/dbraw/zinc/32/64/96/473326496.db2.gz YLHIBXRMWXGOHH-UFYCRDLUSA-N 1 0 339.439 2.815 40 0 EFABRO CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 ZINC000096185633 473326601 /nfs/dbraw/zinc/32/66/01/473326601.db2.gz PXSBYEPCAAPPHQ-RYRKJORJSA-N 1 0 345.516 2.713 40 0 EFABRO O=C(NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21)c1ccsc1 ZINC000096185323 473326644 /nfs/dbraw/zinc/32/66/44/473326644.db2.gz DQWRYMZIZRDGCX-ZACQAIPSSA-N 1 0 346.452 2.608 40 0 EFABRO c1cncc(COC[C@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccncc3)O2)c1 ZINC000096186131 473327429 /nfs/dbraw/zinc/32/74/29/473327429.db2.gz YLHIBXRMWXGOHH-AABGKKOBSA-N 1 0 339.439 2.815 40 0 EFABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccco2)n1 ZINC000096186523 473328578 /nfs/dbraw/zinc/32/85/78/473328578.db2.gz BKISSUXOSJXEOC-QZTJIDSGSA-N 1 0 325.412 2.749 40 0 EFABRO c1cncc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000096186710 473329433 /nfs/dbraw/zinc/32/94/33/473329433.db2.gz JMLYYQHUMWALAU-AABGKKOBSA-N 1 0 346.471 2.647 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096187163 473329499 /nfs/dbraw/zinc/32/94/99/473329499.db2.gz JLXPRXSTWFZVNR-RYRKJORJSA-N 1 0 345.468 2.795 40 0 EFABRO Cc1ccsc1C(=O)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188382 473330762 /nfs/dbraw/zinc/33/07/62/473330762.db2.gz DQXYZHCBDAIIQF-HNNXBMFYSA-N 1 0 344.484 2.621 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)o1 ZINC000096199704 473336062 /nfs/dbraw/zinc/33/60/62/473336062.db2.gz HSGLQYIMLUMAJA-QGZVFWFLSA-N 1 0 325.412 2.621 40 0 EFABRO C[C@H](c1ccccc1)[C@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000083231925 473336123 /nfs/dbraw/zinc/33/61/23/473336123.db2.gz MGBADACTJOFUTP-HOTGVXAUSA-N 1 0 333.476 2.589 40 0 EFABRO Cc1ccc(CN2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202039 473337525 /nfs/dbraw/zinc/33/75/25/473337525.db2.gz AAFVJQUIAAJSBB-OAQYLSRUSA-N 1 0 344.499 2.698 40 0 EFABRO c1csc(C[N@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)c1 ZINC000096202201 473337606 /nfs/dbraw/zinc/33/76/06/473337606.db2.gz AAGZFMOUTLSMBO-KRWDZBQOSA-N 1 0 349.525 2.929 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1Cc1ccncc1 ZINC000096200995 473338187 /nfs/dbraw/zinc/33/81/87/473338187.db2.gz QWKDLXXAVMUSSQ-MOPGFXCFSA-N 1 0 341.430 2.537 40 0 EFABRO 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Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccc(F)cc4)C3)C2=O)cn1 ZINC000096224656 473355134 /nfs/dbraw/zinc/35/51/34/473355134.db2.gz WBLNBUBCYPNKBT-IBGZPJMESA-N 1 0 342.418 2.578 40 0 EFABRO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096224560 473355749 /nfs/dbraw/zinc/35/57/49/473355749.db2.gz NDMXGLVRUUAIBV-KRWDZBQOSA-N 1 0 328.441 2.557 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccs2)C3)nc1 ZINC000096223251 473356120 /nfs/dbraw/zinc/35/61/20/473356120.db2.gz BIYGMVOIBRKRIP-YOEHRIQHSA-N 1 0 348.447 2.913 40 0 EFABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228866 473359117 /nfs/dbraw/zinc/35/91/17/473359117.db2.gz VBDZNRPKWPJAEK-HXUWFJFHSA-N 1 0 341.455 2.742 40 0 EFABRO O=C(c1cccs1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228810 473359533 /nfs/dbraw/zinc/35/95/33/473359533.db2.gz MBPWLKURJKOKIT-SFHVURJKSA-N 1 0 334.485 2.713 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ccccc2)C3)cn1 ZINC000096228953 473359555 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CCCCS[C@H](C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096412695 473391634 /nfs/dbraw/zinc/39/16/34/473391634.db2.gz HVKHWXPFNAUADR-HUUCEWRRSA-N 1 0 328.522 2.525 40 0 EFABRO COc1ccccc1OC[C@@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000000110112 471324139 /nfs/dbraw/zinc/32/41/39/471324139.db2.gz POGJJKYWTMMHKO-INIZCTEOSA-N 1 0 341.431 2.531 40 0 EFABRO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000000121698 471326048 /nfs/dbraw/zinc/32/60/48/471326048.db2.gz XSNMHHKCQGMGIY-NVXWUHKLSA-N 1 0 343.427 2.541 40 0 EFABRO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000000307265 471345792 /nfs/dbraw/zinc/34/57/92/471345792.db2.gz VLPYZYRQQHWHJK-OAHLLOKOSA-N 1 0 331.823 2.868 40 0 EFABRO CC(=O)Nc1ccc(S(=O)(=O)CCc2cc[n+](C(C)C)cc2)cc1 ZINC000001758931 471398334 /nfs/dbraw/zinc/39/83/34/471398334.db2.gz SKYDYAXHACHQSD-UHFFFAOYSA-O 1 0 347.460 2.530 40 0 EFABRO CN(C(=O)OCc1ccccc1)C1(C[NH+]2CCCC2)CCOCC1 ZINC000002580984 471411048 /nfs/dbraw/zinc/41/10/48/471411048.db2.gz WRONDOKBQFAGIL-UHFFFAOYSA-N 1 0 332.444 2.900 40 0 EFABRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000002696120 471417597 /nfs/dbraw/zinc/41/75/97/471417597.db2.gz HRWPKBAYEVQBLV-QWHCGFSZSA-N 1 0 328.250 2.921 40 0 EFABRO CC1CC[NH+](C[C@@H](O)COc2ccccc2Br)CC1 ZINC000002696123 471418127 /nfs/dbraw/zinc/41/81/27/471418127.db2.gz BAZHRJRRYOSFAK-CYBMUJFWSA-N 1 0 328.250 2.921 40 0 EFABRO CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000004279515 471462322 /nfs/dbraw/zinc/46/23/22/471462322.db2.gz KLYRCBSDCDYZGV-CQSZACIVSA-N 1 0 328.250 2.921 40 0 EFABRO O[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(-c2ccccc2)cc1 ZINC000004667217 471470601 /nfs/dbraw/zinc/47/06/01/471470601.db2.gz COQYEOGHDPETNY-QUCCMNQESA-N 1 0 327.424 2.862 40 0 EFABRO COc1cccc(C(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004777366 471475255 /nfs/dbraw/zinc/47/52/55/471475255.db2.gz HVAVOXHNZSHXEB-RYRKJORJSA-N 1 0 326.440 2.665 40 0 EFABRO CCc1cccc2c(C(=O)CSc3nc(N)cc(N)[nH+]3)c[nH]c21 ZINC000006533275 471549502 /nfs/dbraw/zinc/54/95/02/471549502.db2.gz QRJBJVVRMDRFAR-UHFFFAOYSA-N 1 0 327.413 2.660 40 0 EFABRO C=C1[NH+]=C(SC)N[C@H](c2ccc(O)c(OC)c2)C1C(=O)OCC ZINC000006655364 471557504 /nfs/dbraw/zinc/55/75/04/471557504.db2.gz AADFHRICSHHYLT-CQSZACIVSA-N 1 0 336.413 2.601 40 0 EFABRO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000006858814 471574188 /nfs/dbraw/zinc/57/41/88/471574188.db2.gz RSQWHNHMBDAQGS-UHFFFAOYSA-N 1 0 327.428 2.665 40 0 EFABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000007260967 471601195 /nfs/dbraw/zinc/60/11/95/471601195.db2.gz BZNJRBCWOSZACZ-UHFFFAOYSA-N 1 0 328.840 2.883 40 0 EFABRO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CCOc1ccccc1 ZINC000007685342 471629905 /nfs/dbraw/zinc/62/99/05/471629905.db2.gz XFYMBKYRZNNFGS-HNNXBMFYSA-N 1 0 347.459 2.544 40 0 EFABRO CC(=O)c1c[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000008012923 471655268 /nfs/dbraw/zinc/65/52/68/471655268.db2.gz OIHLJDHYJDZJIR-UHFFFAOYSA-N 1 0 325.412 2.743 40 0 EFABRO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCCc2ccccc21 ZINC000008126601 471664532 /nfs/dbraw/zinc/66/45/32/471664532.db2.gz GAYFHICMHXUKBG-SFHVURJKSA-N 1 0 337.423 2.733 40 0 EFABRO COc1ccc(Cl)cc1NC(=S)NC[C@H]1CCC[N@H+](C)C1 ZINC000009876400 471723185 /nfs/dbraw/zinc/72/31/85/471723185.db2.gz YLCWWHNOWONVBP-LLVKDONJSA-N 1 0 327.881 2.977 40 0 EFABRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CO[C@H]1CCC[C@@H]1C)CC2 ZINC000010434945 471735464 /nfs/dbraw/zinc/73/54/64/471735464.db2.gz HZKWJLGDBRNGQP-QGTPRVQTSA-N 1 0 349.471 2.628 40 0 EFABRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000010540245 471738363 /nfs/dbraw/zinc/73/83/63/471738363.db2.gz HVFPMICVAPYMAX-GQCTYLIASA-N 1 0 330.428 2.667 40 0 EFABRO CCc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)s1 ZINC000011693588 471758194 /nfs/dbraw/zinc/75/81/94/471758194.db2.gz YWJKPCLMKBQEGM-UHFFFAOYSA-N 1 0 330.519 2.709 40 0 EFABRO COc1ccc(-c2cc3nccc([C@@H]4CCC[NH2+]C4)n3n2)cc1OC ZINC000012118297 471764655 /nfs/dbraw/zinc/76/46/55/471764655.db2.gz DXCSAVCISOKDMS-CQSZACIVSA-N 1 0 338.411 2.881 40 0 EFABRO COc1ccc(-c2cc3nccc([C@H]4CCC[NH2+]C4)n3n2)cc1OC ZINC000012118298 471764814 /nfs/dbraw/zinc/76/48/14/471764814.db2.gz DXCSAVCISOKDMS-AWEZNQCLSA-N 1 0 338.411 2.881 40 0 EFABRO C[C@H]1CCCN(C(=O)C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)C1 ZINC000012113983 471765589 /nfs/dbraw/zinc/76/55/89/471765589.db2.gz ASOWSYGVBJYMRG-HNNXBMFYSA-N 1 0 344.455 2.853 40 0 EFABRO Cc1cc(C)n(-c2cccc(C[N@H+](CCO)Cc3cccnc3)c2)n1 ZINC000012144449 471766764 /nfs/dbraw/zinc/76/67/64/471766764.db2.gz JCIGAXJOWWIASP-UHFFFAOYSA-N 1 0 336.439 2.879 40 0 EFABRO COc1ccc(C[N@H+](C[C@H]2CCOC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187176 471767964 /nfs/dbraw/zinc/76/79/64/471767964.db2.gz ODTFRTHVZFTDRK-QAPCUYQASA-N 1 0 335.444 2.721 40 0 EFABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 ZINC000012184409 471768241 /nfs/dbraw/zinc/76/82/41/471768241.db2.gz HTDVRGQPAIBULU-UHFFFAOYSA-N 1 0 339.399 2.842 40 0 EFABRO Cc1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c(C)n1 ZINC000012199405 471768853 /nfs/dbraw/zinc/76/88/53/471768853.db2.gz IJEPIZNCLRAOKA-SFHVURJKSA-N 1 0 342.418 2.799 40 0 EFABRO Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000012228261 471769687 /nfs/dbraw/zinc/76/96/87/471769687.db2.gz LWECJDOWUPPAGW-NVXWUHKLSA-N 1 0 328.456 2.836 40 0 EFABRO Cc1ccc(-c2nc(NCC[NH+](C)C)ncc2-c2cnccn2)s1 ZINC000012337102 471771409 /nfs/dbraw/zinc/77/14/09/471771409.db2.gz HPEGILUZSWYODH-UHFFFAOYSA-N 1 0 340.456 2.944 40 0 EFABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)C4CC4)CC3)CC2)cc1 ZINC000012328418 471771815 /nfs/dbraw/zinc/77/18/15/471771815.db2.gz PHBKWEFUEKJZGK-UHFFFAOYSA-N 1 0 328.456 2.717 40 0 EFABRO Cc1ccc(CS(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013612311 471834891 /nfs/dbraw/zinc/83/48/91/471834891.db2.gz GAOBDYGWLYBQRF-IAGOWNOFSA-N 1 0 338.517 2.782 40 0 EFABRO Fc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000013989959 471846517 /nfs/dbraw/zinc/84/65/17/471846517.db2.gz YBQNEJMLEIUOAX-UHFFFAOYSA-N 1 0 343.446 2.945 40 0 EFABRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000015360889 471900840 /nfs/dbraw/zinc/90/08/40/471900840.db2.gz XIOSFNXGEZBVBO-UHFFFAOYSA-N 1 0 344.480 2.715 40 0 EFABRO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000017296892 471959737 /nfs/dbraw/zinc/95/97/37/471959737.db2.gz RGKJDDDODPIFDE-ZWKOTPCHSA-N 1 0 349.471 2.627 40 0 EFABRO Cc1ccc(C)c([C@@H](O)CN2CCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000019132149 471977096 /nfs/dbraw/zinc/97/70/96/471977096.db2.gz DEMMFZOWNVDXFD-ICSRJNTNSA-N 1 0 332.488 2.524 40 0 EFABRO [NH3+]CCN[C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000019203785 471978805 /nfs/dbraw/zinc/97/88/05/471978805.db2.gz PEBHFAYCXONKTK-KRWDZBQOSA-N 1 0 336.391 2.655 40 0 EFABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401710 471980280 /nfs/dbraw/zinc/98/02/80/471980280.db2.gz LDJWXELWRJIEJK-INIZCTEOSA-N 1 0 347.422 2.607 40 0 EFABRO Cc1cc(N2CCOCC2)cc([C@@H]2CCCN(C(=O)C3CCC3)C2)[nH+]1 ZINC000019570091 471980976 /nfs/dbraw/zinc/98/09/76/471980976.db2.gz GOEXEKPBHJJQPJ-QGZVFWFLSA-N 1 0 343.471 2.733 40 0 EFABRO Cc1nn([C@H](C)CC(=O)NCC[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000019577565 471981500 /nfs/dbraw/zinc/98/15/00/471981500.db2.gz JDQUEVUBSYLFTH-CYBMUJFWSA-N 1 0 340.899 2.953 40 0 EFABRO CNc1cc(CN(C)C(=O)CC2CCCC2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709699 471983276 /nfs/dbraw/zinc/98/32/76/471983276.db2.gz NEJMQXCNESHQFS-OAHLLOKOSA-N 1 0 345.491 2.524 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704880 471983482 /nfs/dbraw/zinc/98/34/82/471983482.db2.gz RTLVFXRYIWPSSV-CQSZACIVSA-N 1 0 335.411 2.605 40 0 EFABRO NC(=O)c1c(NC(=O)C[NH2+]Cc2cccs2)sc2c1CCCC2 ZINC000035314852 471994558 /nfs/dbraw/zinc/99/45/58/471994558.db2.gz JPFNESRTBMMTBU-UHFFFAOYSA-N 1 0 349.481 2.516 40 0 EFABRO COc1cc(C[NH2+][C@@H](C)C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000036612904 472002052 /nfs/dbraw/zinc/00/20/52/472002052.db2.gz IEWGKPRVTPOPGO-JTQLQIEISA-N 1 0 328.840 2.737 40 0 EFABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCn3ccnc3)cc2)CC1 ZINC000038772836 472021427 /nfs/dbraw/zinc/02/14/27/472021427.db2.gz CMMJXBAZWUFESA-UHFFFAOYSA-N 1 0 340.471 2.935 40 0 EFABRO COc1ccc(C[NH2+]CC(=O)N2CCCCC2)cc1Br ZINC000067672790 472068619 /nfs/dbraw/zinc/06/86/19/472068619.db2.gz LWLNNWLBDQHRJA-UHFFFAOYSA-N 1 0 341.249 2.560 40 0 EFABRO O[C@H](C[NH2+]C1CCCC1)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689952 472079713 /nfs/dbraw/zinc/07/97/13/472079713.db2.gz KFORXACLIQLVLC-OFGIBPIPSA-N 1 0 337.504 2.882 40 0 EFABRO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439394 472135488 /nfs/dbraw/zinc/13/54/88/472135488.db2.gz MICRESPWJUYESG-KRWDZBQOSA-N 1 0 341.499 2.915 40 0 EFABRO O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028226202 472217459 /nfs/dbraw/zinc/21/74/59/472217459.db2.gz YLWFLCUILPKKSW-OAHLLOKOSA-N 1 0 344.386 2.918 40 0 EFABRO C[C@@H](Oc1ccccc1)C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085436275 472247840 /nfs/dbraw/zinc/24/78/40/472247840.db2.gz GKHOBZXTFIIKMI-IAGOWNOFSA-N 1 0 348.512 2.884 40 0 EFABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000085468210 472251717 /nfs/dbraw/zinc/25/17/17/472251717.db2.gz KYQMSCAJKFHCIW-OAHLLOKOSA-N 1 0 349.906 2.828 40 0 EFABRO COc1cccc(CC(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)c1 ZINC000085473197 472253310 /nfs/dbraw/zinc/25/33/10/472253310.db2.gz NJRVNAMDZPERLX-KRWDZBQOSA-N 1 0 348.512 2.668 40 0 EFABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044080860 472284148 /nfs/dbraw/zinc/28/41/48/472284148.db2.gz BBINOEVWBUOQDQ-CQSZACIVSA-N 1 0 349.500 2.866 40 0 EFABRO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000030008111 472311157 /nfs/dbraw/zinc/31/11/57/472311157.db2.gz PYYNHOQOZDJJPB-SFHVURJKSA-N 1 0 330.453 2.802 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@@H](C)c2nnc3ccccn32)CC1 ZINC000089136646 472390950 /nfs/dbraw/zinc/39/09/50/472390950.db2.gz SGDMZEGJDPKCSD-AWEZNQCLSA-N 1 0 345.447 2.637 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000128069176 472395710 /nfs/dbraw/zinc/39/57/10/472395710.db2.gz KOCWEBUPPALMJV-QAMTZSDWSA-N 1 0 344.455 2.960 40 0 EFABRO CC(=O)NC1CCC([NH+]2CCC(Oc3cccc(C)n3)CC2)CC1 ZINC000154479679 472438661 /nfs/dbraw/zinc/43/86/61/472438661.db2.gz IPGBKQVOUGZTNI-UHFFFAOYSA-N 1 0 331.460 2.681 40 0 EFABRO C[N@H+](CCc1cccc(Br)c1)C1CCS(=O)CC1 ZINC000097095416 472444138 /nfs/dbraw/zinc/44/41/38/472444138.db2.gz SCHBZAOKSXWCAW-UHFFFAOYSA-N 1 0 330.291 2.835 40 0 EFABRO O=C(c1cccs1)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000097103358 472446893 /nfs/dbraw/zinc/44/68/93/472446893.db2.gz XSZUCRCCNJVRON-UHFFFAOYSA-N 1 0 335.517 2.772 40 0 EFABRO Cc1cc(C)n(-c2ccc(-c3noc(C[N@H+]4CCC[C@@H]4C)n3)cn2)n1 ZINC000097104549 472448042 /nfs/dbraw/zinc/44/80/42/472448042.db2.gz GSZJDJLGBRMMSF-ZDUSSCGKSA-N 1 0 338.415 2.918 40 0 EFABRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000097228500 472484030 /nfs/dbraw/zinc/48/40/30/472484030.db2.gz WWFNXKLAUUMVQA-CYBMUJFWSA-N 1 0 335.473 2.655 40 0 EFABRO Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)c2)cn1 ZINC000097230767 472484110 /nfs/dbraw/zinc/48/41/10/472484110.db2.gz QJTVFGUZJBRFLR-MSOLQXFVSA-N 1 0 347.484 2.533 40 0 EFABRO Cn1cc(CC[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cn1 ZINC000097229082 472484215 /nfs/dbraw/zinc/48/42/15/472484215.db2.gz RHKPHLIRVCMUMC-UHFFFAOYSA-N 1 0 332.423 2.841 40 0 EFABRO CC(C)[NH+]1CCN(c2ccc(C(=O)OC3CCOCC3)cc2)CC1 ZINC000097237284 472486408 /nfs/dbraw/zinc/48/64/08/472486408.db2.gz ZZFPWKKTAGADDX-UHFFFAOYSA-N 1 0 332.444 2.553 40 0 EFABRO COCCC(=O)N1CCC([NH2+]C2CC(c3ccccc3C)C2)CC1 ZINC000097371126 472491798 /nfs/dbraw/zinc/49/17/98/472491798.db2.gz JTBIABPLHOASDK-UHFFFAOYSA-N 1 0 330.472 2.858 40 0 EFABRO CC1([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)OCCO1 ZINC000097373158 472492821 /nfs/dbraw/zinc/49/28/21/472492821.db2.gz KEEILDOLBXFEQV-QGZVFWFLSA-N 1 0 331.460 2.657 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCCc2nc3ccccc3s2)C1 ZINC000129401719 472541348 /nfs/dbraw/zinc/54/13/48/472541348.db2.gz CIGIELOVKMNOHD-AWEZNQCLSA-N 1 0 346.500 2.822 40 0 EFABRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000130407183 472604069 /nfs/dbraw/zinc/60/40/69/472604069.db2.gz BZCDIQHWHFYPHN-ROUUACIJSA-N 1 0 344.480 2.802 40 0 EFABRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000130407407 472604130 /nfs/dbraw/zinc/60/41/30/472604130.db2.gz BZCDIQHWHFYPHN-QZTJIDSGSA-N 1 0 344.480 2.802 40 0 EFABRO C[NH+](C)CCOc1ccccc1C(=O)Nc1nnc(C2CC2)s1 ZINC000059003278 472621134 /nfs/dbraw/zinc/62/11/34/472621134.db2.gz KDYMQFNYCVBWIO-UHFFFAOYSA-N 1 0 332.429 2.608 40 0 EFABRO C[N@@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216447 472634308 /nfs/dbraw/zinc/63/43/08/472634308.db2.gz SRTFMEMUFVKIDP-INIZCTEOSA-N 1 0 346.475 2.905 40 0 EFABRO CC(C)[NH+]1CCN(c2ccc(CNC(=O)OC(C)(C)C)cn2)CC1 ZINC000072225607 472634557 /nfs/dbraw/zinc/63/45/57/472634557.db2.gz FKAOSBZLTCIMPW-UHFFFAOYSA-N 1 0 334.464 2.637 40 0 EFABRO C[NH+]1CCN(c2ccc([C@@H]3CCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000072216520 472634930 /nfs/dbraw/zinc/63/49/30/472634930.db2.gz ARDHRWXDWVGYPJ-INIZCTEOSA-N 1 0 346.475 2.905 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216339 472635003 /nfs/dbraw/zinc/63/50/03/472635003.db2.gz AIDGGMOGTVXPPN-OAHLLOKOSA-N 1 0 332.448 2.563 40 0 EFABRO Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131023903 472644375 /nfs/dbraw/zinc/64/43/75/472644375.db2.gz RPOHWKLJCUPUNM-GFCCVEGCSA-N 1 0 342.871 2.810 40 0 EFABRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000090728188 472654549 /nfs/dbraw/zinc/65/45/49/472654549.db2.gz SZRJCXQASWDOMB-NEPJUHHUSA-N 1 0 326.404 2.721 40 0 EFABRO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C2CCCC2)C3)C1 ZINC000072390888 472663445 /nfs/dbraw/zinc/66/34/45/472663445.db2.gz PTSAUMVBWAZQIV-HNNXBMFYSA-N 1 0 328.460 2.503 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2OC)C1 ZINC000072358499 472663612 /nfs/dbraw/zinc/66/36/12/472663612.db2.gz PCCAWPMMOOOOGW-HNNXBMFYSA-N 1 0 327.428 2.978 40 0 EFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000060643919 472673361 /nfs/dbraw/zinc/67/33/61/472673361.db2.gz MFADYMDLENPFCY-QGZVFWFLSA-N 1 0 340.471 2.783 40 0 EFABRO CCn1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000091013907 472675337 /nfs/dbraw/zinc/67/53/37/472675337.db2.gz FYHIKDKGUPDYFX-NVXWUHKLSA-N 1 0 326.444 2.728 40 0 EFABRO O=C(NCCC[NH2+]Cc1cccnc1)c1nc(Cl)ccc1Cl ZINC000120766343 472743281 /nfs/dbraw/zinc/74/32/81/472743281.db2.gz CGQHAMXYGJJCCR-UHFFFAOYSA-N 1 0 339.226 2.693 40 0 EFABRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776786 472769034 /nfs/dbraw/zinc/76/90/34/472769034.db2.gz ZARGOPYAOVGVTO-CQSZACIVSA-N 1 0 342.468 2.974 40 0 EFABRO O=C1OCCN1CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776793 472769172 /nfs/dbraw/zinc/76/91/72/472769172.db2.gz SSGQEPDVALSQNZ-CQSZACIVSA-N 1 0 328.416 2.585 40 0 EFABRO C[N@@H+]1CCC[C@]2(CN(C(=O)c3ccccc3C(F)(F)F)CCO2)C1 ZINC000063527668 472787032 /nfs/dbraw/zinc/78/70/32/472787032.db2.gz SUESVJBFXPQTLJ-MRXNPFEDSA-N 1 0 342.361 2.642 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2cccnc2)CCOCC1)c1ccccc1 ZINC000079096114 472818953 /nfs/dbraw/zinc/81/89/53/472818953.db2.gz DOWZHIRMJBDAGA-INIZCTEOSA-N 1 0 339.439 2.711 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2ccoc2)CCOCC1)c1ccccc1 ZINC000079096405 472819659 /nfs/dbraw/zinc/81/96/59/472819659.db2.gz LLCDTBMGOFZZTK-HNNXBMFYSA-N 1 0 328.412 2.909 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2ccco2)CCOCC1)c1ccccc1 ZINC000079096359 472820055 /nfs/dbraw/zinc/82/00/55/472820055.db2.gz GZUPJUKCSBOPRX-OAHLLOKOSA-N 1 0 328.412 2.909 40 0 EFABRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619620 472841107 /nfs/dbraw/zinc/84/11/07/472841107.db2.gz PWEUTSDWPKNYIK-HZPDHXFCSA-N 1 0 345.487 2.540 40 0 EFABRO O=C(N[C@@H]1CCCC[C@H]1[N@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390937 472857118 /nfs/dbraw/zinc/85/71/18/472857118.db2.gz NZZLMXNIPUTZKV-QZTJIDSGSA-N 1 0 332.444 2.681 40 0 EFABRO CC(C)[N@H+](CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391844 472857389 /nfs/dbraw/zinc/85/73/89/472857389.db2.gz NUHFTLWJSTUUON-UHFFFAOYSA-N 1 0 333.476 2.704 40 0 EFABRO CC(C)N(C[C@H]1CCC[N@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411182 472859915 /nfs/dbraw/zinc/85/99/15/472859915.db2.gz YNNSDPVHILXRRQ-SFHVURJKSA-N 1 0 334.460 2.738 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000079420665 472861804 /nfs/dbraw/zinc/86/18/04/472861804.db2.gz BGBTVOZJKVOVMG-AWEZNQCLSA-N 1 0 325.250 2.923 40 0 EFABRO OCCn1nccc1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000092811295 472988308 /nfs/dbraw/zinc/98/83/08/472988308.db2.gz HDOCLGLPRLKXRQ-OWOJBTEDSA-N 1 0 329.419 2.907 40 0 EFABRO CC[NH+]1CCN([C@H]2CCN(Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133315 473048754 /nfs/dbraw/zinc/04/87/54/473048754.db2.gz ZMDRICKJSUALLN-HNNXBMFYSA-N 1 0 325.859 2.691 40 0 EFABRO CN1CCN(c2ncc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439500 473106980 /nfs/dbraw/zinc/10/69/80/473106980.db2.gz KELSAXKCKBOSSW-FQEVSTJZSA-N 1 0 341.503 2.551 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000093683171 473133061 /nfs/dbraw/zinc/13/30/61/473133061.db2.gz YGAXZQZUKPATPB-ZDUSSCGKSA-N 1 0 330.350 2.586 40 0 EFABRO Cc1cc(C)n(CC[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000075162642 473143666 /nfs/dbraw/zinc/14/36/66/473143666.db2.gz YCFKNHTZMXVERP-UHFFFAOYSA-N 1 0 341.459 2.740 40 0 EFABRO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000110607771 473165091 /nfs/dbraw/zinc/16/50/91/473165091.db2.gz HZCOUIMAMBKLQS-MLGOLLRUSA-N 1 0 342.443 2.852 40 0 EFABRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000110672116 473170024 /nfs/dbraw/zinc/17/00/24/473170024.db2.gz HILXCUYLIQNYJQ-UONOGXRCSA-N 1 0 333.398 2.987 40 0 EFABRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C(=O)N(C)C ZINC000110686021 473170812 /nfs/dbraw/zinc/17/08/12/473170812.db2.gz SNPZSEBPSANLSW-RHSMWYFYSA-N 1 0 346.475 2.501 40 0 EFABRO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000110695703 473172387 /nfs/dbraw/zinc/17/23/87/473172387.db2.gz GCBRCEYZHIMEER-TXPKVOOTSA-N 1 0 347.503 2.855 40 0 EFABRO FC(F)Oc1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000094162453 473183020 /nfs/dbraw/zinc/18/30/20/473183020.db2.gz MYFXKQOZUXBNEK-GFCCVEGCSA-N 1 0 327.375 2.596 40 0 EFABRO C[C@@H]1C[C@H](NCc2nnc3ccccn32)C[N@H+](Cc2ccccc2)C1 ZINC000136892898 473183382 /nfs/dbraw/zinc/18/33/82/473183382.db2.gz AEEXITJTXLTQPL-AEFFLSMTSA-N 1 0 335.455 2.730 40 0 EFABRO Cc1cccc(NC[C@H]2CCN(c3ncncc3Br)C2)[nH+]1 ZINC000123791703 473186487 /nfs/dbraw/zinc/18/64/87/473186487.db2.gz GJARZALVWUDKBP-GFCCVEGCSA-N 1 0 348.248 2.881 40 0 EFABRO C[C@@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101102 473189539 /nfs/dbraw/zinc/18/95/39/473189539.db2.gz IVMIZRRGJJXTJM-GOSISDBHSA-N 1 0 343.467 2.873 40 0 EFABRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000081361533 473191261 /nfs/dbraw/zinc/19/12/61/473191261.db2.gz YEFZTCGDMXRCJI-LBPRGKRZSA-N 1 0 342.281 2.592 40 0 EFABRO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000095405366 473198132 /nfs/dbraw/zinc/19/81/32/473198132.db2.gz DYDQLEBLACJIKA-RBUKOAKNSA-N 1 0 349.519 2.852 40 0 EFABRO CC(C)(C)C[N@H+](CCO)Cc1nc2cc(Br)cnc2[nH]1 ZINC000096412959 473392199 /nfs/dbraw/zinc/39/21/99/473392199.db2.gz CZNPZLKUCTWATI-UHFFFAOYSA-N 1 0 341.253 2.561 40 0 EFABRO C[C@H]1C[C@@H](N(C)C(=O)COCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000096413966 473392956 /nfs/dbraw/zinc/39/29/56/473392956.db2.gz GSJZLFRBJYMDHX-LPHOPBHVSA-N 1 0 330.472 2.925 40 0 EFABRO COc1ccc(OC)c2c1C[N@H+](CCc1scnc1C)C[C@H]2O ZINC000096414821 473394053 /nfs/dbraw/zinc/39/40/53/473394053.db2.gz AHTUNKJKMIGCAZ-CYBMUJFWSA-N 1 0 334.441 2.560 40 0 EFABRO NC(=O)[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC000096415086 473394457 /nfs/dbraw/zinc/39/44/57/473394457.db2.gz PTMPWFUFZNOIMA-GOSISDBHSA-N 1 0 327.403 2.611 40 0 EFABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416995 473396484 /nfs/dbraw/zinc/39/64/84/473396484.db2.gz MFRLOGNTKLGLSE-LBPRGKRZSA-N 1 0 345.365 2.579 40 0 EFABRO C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000096422059 473400686 /nfs/dbraw/zinc/40/06/86/473400686.db2.gz PQBABRZKGCTMCP-UHFFFAOYSA-N 1 0 333.823 2.741 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000096424194 473402045 /nfs/dbraw/zinc/40/20/45/473402045.db2.gz CSRGGITVCGAXDQ-IAGOWNOFSA-N 1 0 337.508 2.804 40 0 EFABRO CC(C)CC(=O)Nc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1F ZINC000096426421 473405200 /nfs/dbraw/zinc/40/52/00/473405200.db2.gz CXKMXAPPIWEWBA-AWEZNQCLSA-N 1 0 349.450 2.834 40 0 EFABRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096430900 473409632 /nfs/dbraw/zinc/40/96/32/473409632.db2.gz OXPSKNNQQNLIFW-CYBMUJFWSA-N 1 0 340.427 2.638 40 0 EFABRO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096439868 473417547 /nfs/dbraw/zinc/41/75/47/473417547.db2.gz MUABDEMJMCWDES-GUDVDZBRSA-N 1 0 345.487 2.512 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000096441626 473420141 /nfs/dbraw/zinc/42/01/41/473420141.db2.gz PIZODYGCOLNQSV-GFCCVEGCSA-N 1 0 348.340 2.725 40 0 EFABRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000096443995 473420842 /nfs/dbraw/zinc/42/08/42/473420842.db2.gz ZTLMMPOBYKKATA-ZWKOTPCHSA-N 1 0 343.471 2.941 40 0 EFABRO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000096443303 473421322 /nfs/dbraw/zinc/42/13/22/473421322.db2.gz DBOSNMQGTFPKOV-INIZCTEOSA-N 1 0 331.460 2.560 40 0 EFABRO CC[N@@H+]1CCCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000096445282 473422123 /nfs/dbraw/zinc/42/21/23/473422123.db2.gz WCPUDGXTMGNQPE-AWEZNQCLSA-N 1 0 346.500 2.911 40 0 EFABRO CC[N@@H+]1CCCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000096445284 473422192 /nfs/dbraw/zinc/42/21/92/473422192.db2.gz WCPUDGXTMGNQPE-CQSZACIVSA-N 1 0 346.500 2.911 40 0 EFABRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000096451208 473427130 /nfs/dbraw/zinc/42/71/30/473427130.db2.gz MVKUORFKUHHYEP-GDBMZVCRSA-N 1 0 342.395 2.665 40 0 EFABRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000096451209 473427976 /nfs/dbraw/zinc/42/79/76/473427976.db2.gz MVKUORFKUHHYEP-ZBFHGGJFSA-N 1 0 342.395 2.665 40 0 EFABRO CCS[C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000096452315 473428589 /nfs/dbraw/zinc/42/85/89/473428589.db2.gz GBQFUICDPAJRPJ-ZBFHGGJFSA-N 1 0 325.522 2.977 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCCSC2)ccc1F ZINC000096452355 473428912 /nfs/dbraw/zinc/42/89/12/473428912.db2.gz RNCGXSRPXSYMKW-AWEZNQCLSA-N 1 0 325.453 2.582 40 0 EFABRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000096461931 473433338 /nfs/dbraw/zinc/43/33/38/473433338.db2.gz WEVVDIYGADOERQ-UGSOOPFHSA-N 1 0 338.398 2.597 40 0 EFABRO Brc1ccc(CN2CCC([NH2+]Cc3ncc[nH]3)CC2)cc1 ZINC000096474734 473438721 /nfs/dbraw/zinc/43/87/21/473438721.db2.gz VPAUBGDTIFDVMV-UHFFFAOYSA-N 1 0 349.276 2.926 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000096478125 473439573 /nfs/dbraw/zinc/43/95/73/473439573.db2.gz FTCFBYACFAOOQJ-UGSOOPFHSA-N 1 0 348.468 2.971 40 0 EFABRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476510 473439822 /nfs/dbraw/zinc/43/98/22/473439822.db2.gz PMHZTJWRBTWSNF-SWLSCSKDSA-N 1 0 349.427 2.884 40 0 EFABRO COc1ccc(CN2CC[NH+](C)CC2)cc1NCc1scnc1C ZINC000096482868 473442413 /nfs/dbraw/zinc/44/24/13/473442413.db2.gz BBUYDYVUGZUBEG-UHFFFAOYSA-N 1 0 346.500 2.820 40 0 EFABRO C[C@@H](CCNC(=O)N1CCOCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000096490533 473445904 /nfs/dbraw/zinc/44/59/04/473445904.db2.gz KTNMVUBAXXZAAG-IRXDYDNUSA-N 1 0 333.476 2.717 40 0 EFABRO O=C([C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1)N1CCOCC1 ZINC000096489563 473446268 /nfs/dbraw/zinc/44/62/68/473446268.db2.gz DFIFRVXFIOXWPL-OAHLLOKOSA-N 1 0 328.412 2.504 40 0 EFABRO CCc1nc(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)sc1C ZINC000096491631 473447742 /nfs/dbraw/zinc/44/77/42/473447742.db2.gz WXRUSMMNUSJSMZ-UONOGXRCSA-N 1 0 330.519 2.502 40 0 EFABRO CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)sc1C ZINC000096491629 473447946 /nfs/dbraw/zinc/44/79/46/473447946.db2.gz WXRUSMMNUSJSMZ-ZIAGYGMSSA-N 1 0 330.519 2.502 40 0 EFABRO C[C@@H](C[NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493843 473448926 /nfs/dbraw/zinc/44/89/26/473448926.db2.gz ZQKWLJGPAFCJPM-NHYWBVRUSA-N 1 0 338.249 2.609 40 0 EFABRO CCOC(=O)N1CCC([NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000125714427 473449354 /nfs/dbraw/zinc/44/93/54/473449354.db2.gz XFZYDLWMUUJGJL-INIZCTEOSA-N 1 0 328.416 2.710 40 0 EFABRO CC1(C)[C@H]([NH2+]C[C@H](O)c2cccc(OC(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000096493506 473449605 /nfs/dbraw/zinc/44/96/05/473449605.db2.gz YTUWMSDBGSJBAC-BARDWOONSA-N 1 0 327.371 2.725 40 0 EFABRO C[C@@H](C[NH2+][C@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493847 473449666 /nfs/dbraw/zinc/44/96/66/473449666.db2.gz ZQKWLJGPAFCJPM-XHDPSFHLSA-N 1 0 338.249 2.609 40 0 EFABRO COc1c(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c(C)nn1C ZINC000096494385 473450093 /nfs/dbraw/zinc/45/00/93/473450093.db2.gz CQWQQFPFHOKIFN-AWEZNQCLSA-N 1 0 334.851 2.759 40 0 EFABRO C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096500864 473452870 /nfs/dbraw/zinc/45/28/70/473452870.db2.gz CPOZXWSTQPAXDA-KFKAGJAMSA-N 1 0 345.487 2.631 40 0 EFABRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(O)c1 ZINC000153250814 473615534 /nfs/dbraw/zinc/61/55/34/473615534.db2.gz XBSZZRFPFOLRKN-OAHLLOKOSA-N 1 0 332.444 2.605 40 0 EFABRO COC1(C[NH2+][C@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000153404576 473622728 /nfs/dbraw/zinc/62/27/28/473622728.db2.gz AVUMANKLFQXGOR-LSDHHAIUSA-N 1 0 342.439 2.753 40 0 EFABRO CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000153922127 473650676 /nfs/dbraw/zinc/65/06/76/473650676.db2.gz CWHOEDYZWWUMRT-HOTGVXAUSA-N 1 0 344.463 2.528 40 0 EFABRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245940275 473765670 /nfs/dbraw/zinc/76/56/70/473765670.db2.gz SVUJICIXFKKLSI-FCGDIQPGSA-N 1 0 334.504 2.774 40 0 EFABRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)NC3CCCC3)ccc2NC1=O ZINC000180030270 473781851 /nfs/dbraw/zinc/78/18/51/473781851.db2.gz FFCRWNASXAYBTL-MLGOLLRUSA-N 1 0 345.443 2.506 40 0 EFABRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000194113418 473844302 /nfs/dbraw/zinc/84/43/02/473844302.db2.gz GWLYRCVVHRXJPS-GXSJLCMTSA-N 1 0 346.294 2.965 40 0 EFABRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000194113397 473844346 /nfs/dbraw/zinc/84/43/46/473844346.db2.gz GWLYRCVVHRXJPS-ONGXEEELSA-N 1 0 346.294 2.965 40 0 EFABRO COC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194627704 473928122 /nfs/dbraw/zinc/92/81/22/473928122.db2.gz NAKSYSRMAGIPPI-CVEARBPZSA-N 1 0 337.851 2.517 40 0 EFABRO Cc1cc(C)c(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000188181899 474011115 /nfs/dbraw/zinc/01/11/15/474011115.db2.gz HZFSQLCAOODZBT-FQEVSTJZSA-N 1 0 342.439 2.605 40 0 EFABRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000188234374 474027912 /nfs/dbraw/zinc/02/79/12/474027912.db2.gz WWXKRQBGFBHBNP-SMDDNHRTSA-N 1 0 330.291 2.838 40 0 EFABRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039691 /nfs/dbraw/zinc/03/96/91/474039691.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 1 0 331.489 2.756 40 0 EFABRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000188414388 474087443 /nfs/dbraw/zinc/08/74/43/474087443.db2.gz TZJCDZOWFPSARL-SNVBAGLBSA-N 1 0 337.217 2.862 40 0 EFABRO Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000195530179 474090386 /nfs/dbraw/zinc/09/03/86/474090386.db2.gz VDHWOMOEMMJAEW-IHPCNDPISA-N 1 0 342.483 2.669 40 0 EFABRO O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000195530185 474090427 /nfs/dbraw/zinc/09/04/27/474090427.db2.gz DTXQHRSORKXCTR-ZYSHUDEJSA-N 1 0 346.446 2.500 40 0 EFABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000195543396 474091306 /nfs/dbraw/zinc/09/13/06/474091306.db2.gz YEOLRONMJRGIAS-ZIAGYGMSSA-N 1 0 328.815 2.752 40 0 EFABRO Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000195542963 474092031 /nfs/dbraw/zinc/09/20/31/474092031.db2.gz WHRDEXFPRXLPDY-PXAZEXFGSA-N 1 0 330.407 2.519 40 0 EFABRO C[C@H](Cc1ccc2ccccc2c1)NC(=O)COC[C@@H]1CCC[NH2+]C1 ZINC000195549511 474093165 /nfs/dbraw/zinc/09/31/65/474093165.db2.gz XKWAXFBYTKSACH-SJLPKXTDSA-N 1 0 340.467 2.903 40 0 EFABRO CC[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549848 474093185 /nfs/dbraw/zinc/09/31/85/474093185.db2.gz HJKMKTIOPNQAAW-STQMWFEESA-N 1 0 331.865 2.664 40 0 EFABRO CO[C@@H](C)c1nc(CN(C)C(=O)[C@H]2[NH2+]CCc3ccccc32)cs1 ZINC000195543850 474093332 /nfs/dbraw/zinc/09/33/32/474093332.db2.gz ZQBAVIZWCSHDIT-LRDDRELGSA-N 1 0 345.468 2.696 40 0 EFABRO CN(C)[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086556 474096863 /nfs/dbraw/zinc/09/68/63/474096863.db2.gz KHDXRSRINFFEAL-SJORKVTESA-N 1 0 332.423 2.665 40 0 EFABRO O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCC[N@@H+]1CCC1OCCO1 ZINC000195565963 474097479 /nfs/dbraw/zinc/09/74/79/474097479.db2.gz FACFJIYHIULGGM-HNNXBMFYSA-N 1 0 340.370 2.521 40 0 EFABRO Fc1ccc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247551832 474179755 /nfs/dbraw/zinc/17/97/55/474179755.db2.gz WDBLFMSDUUZMCM-VQTJNVASSA-N 1 0 348.462 2.672 40 0 EFABRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223210314 474181313 /nfs/dbraw/zinc/18/13/13/474181313.db2.gz SFDRTAMIPOYVBA-SJORKVTESA-N 1 0 344.484 2.907 40 0 EFABRO Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223253065 474182932 /nfs/dbraw/zinc/18/29/32/474182932.db2.gz BWFULUAQLLIRFM-LSDHHAIUSA-N 1 0 346.525 2.986 40 0 EFABRO Fc1cc2ncnc(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)c2cc1F ZINC000247562412 474183625 /nfs/dbraw/zinc/18/36/25/474183625.db2.gz ZEEMXXMUYPRTBB-PLQHRBFRSA-N 1 0 330.382 2.829 40 0 EFABRO COc1ccc2cc(S(=O)(=O)NCCC[NH+]3CCCC3)ccc2c1 ZINC000223695462 474188082 /nfs/dbraw/zinc/18/80/82/474188082.db2.gz CYZUECCZIUSNLW-UHFFFAOYSA-N 1 0 348.468 2.613 40 0 EFABRO CN(C)C(=O)c1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000225411366 474210655 /nfs/dbraw/zinc/21/06/55/474210655.db2.gz HJUQGSUWWUZVDX-UHFFFAOYSA-N 1 0 348.516 2.551 40 0 EFABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCC2)c1C ZINC000225434144 474211673 /nfs/dbraw/zinc/21/16/73/474211673.db2.gz XNMSOEYAJOYHOL-UHFFFAOYSA-N 1 0 349.500 2.944 40 0 EFABRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@H]2CCCOC2)cc1 ZINC000225423111 474211766 /nfs/dbraw/zinc/21/17/66/474211766.db2.gz HPQBTNJYRQYEOM-APWZRJJASA-N 1 0 346.471 2.765 40 0 EFABRO COC(=O)C1CCC([NH2+][C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000225423992 474212409 /nfs/dbraw/zinc/21/24/09/474212409.db2.gz ITBZYZPEEOGIOO-XUJLQICISA-N 1 0 330.432 2.748 40 0 EFABRO O=C1[C@H](N2CC[NH+](CCCCCF)CC2)CCN1c1ccccc1 ZINC000225466391 474214751 /nfs/dbraw/zinc/21/47/51/474214751.db2.gz FWXYPNNNEFKMRD-GOSISDBHSA-N 1 0 333.451 2.549 40 0 EFABRO COc1cccc2c1CCN(c1cc(N3CCSCC3)ncn1)C2 ZINC000225484959 474216372 /nfs/dbraw/zinc/21/63/72/474216372.db2.gz SNESRUOFSCJAOM-UHFFFAOYSA-N 1 0 342.468 2.601 40 0 EFABRO C[NH2+]CC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000225488137 474218075 /nfs/dbraw/zinc/21/80/75/474218075.db2.gz GHNPTJGEEYQVHC-CYBMUJFWSA-N 1 0 331.441 2.532 40 0 EFABRO O=C(CC1CC1)NCC[C@H]1Cn2nccc2C[N@@H+](C2CCCC2)C1 ZINC000247865750 474218382 /nfs/dbraw/zinc/21/83/82/474218382.db2.gz OLEDFUOXOGZVCW-MRXNPFEDSA-N 1 0 330.476 2.564 40 0 EFABRO CC[NH+](CC)[C@H](CNc1nc2c(cnn2C)c(N)n1)c1ccsc1 ZINC000225511156 474219346 /nfs/dbraw/zinc/21/93/46/474219346.db2.gz PNZKFQKNARSOMO-CYBMUJFWSA-N 1 0 345.476 2.502 40 0 EFABRO O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCc2nc[nH]c2C1 ZINC000225511465 474219805 /nfs/dbraw/zinc/21/98/05/474219805.db2.gz YTQLHRDYOXHOQO-JTQLQIEISA-N 1 0 339.317 2.730 40 0 EFABRO O=C(CC1CC1)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 ZINC000247878862 474219764 /nfs/dbraw/zinc/21/97/64/474219764.db2.gz UUVFTCUTYXKOOB-MRXNPFEDSA-N 1 0 344.484 2.808 40 0 EFABRO c1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)nc1 ZINC000247879491 474219954 /nfs/dbraw/zinc/21/99/54/474219954.db2.gz PLZZMIGDWZRXFH-DFQSSKMNSA-N 1 0 339.439 2.673 40 0 EFABRO COc1cccc(CC(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000225568843 474225847 /nfs/dbraw/zinc/22/58/47/474225847.db2.gz WGWOIGFPXNYOJQ-KRWDZBQOSA-N 1 0 348.512 2.571 40 0 EFABRO c1ccc2c(c1)OC[C@H](C[NH2+][C@@H](c1cccnc1)C1CCOCC1)O2 ZINC000225573070 474226575 /nfs/dbraw/zinc/22/65/75/474226575.db2.gz JKYUMTOANXVWKX-FXAWDEMLSA-N 1 0 340.423 2.979 40 0 EFABRO Cn1c(Sc2ccc(C(F)(F)F)cn2)nnc1[C@H]1CCC[NH2+]C1 ZINC000225589648 474227716 /nfs/dbraw/zinc/22/77/16/474227716.db2.gz QUWVGUJTNVMBRC-VIFPVBQESA-N 1 0 343.378 2.847 40 0 EFABRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCCC2)ccc1F ZINC000225604005 474229337 /nfs/dbraw/zinc/22/93/37/474229337.db2.gz RCRUHJANDZXGBR-UHFFFAOYSA-N 1 0 328.453 2.679 40 0 EFABRO Cc1cc(CN2CC3(C2)C[C@@H](OCC2CCCC2)CS3)n(C)n1 ZINC000248041045 474249831 /nfs/dbraw/zinc/24/98/31/474249831.db2.gz OGBCFPXOMUJCHA-QGZVFWFLSA-N 1 0 335.517 2.995 40 0 EFABRO Fc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1F ZINC000228923898 474250157 /nfs/dbraw/zinc/25/01/57/474250157.db2.gz HVHAIJJDCJKRSQ-UHFFFAOYSA-N 1 0 330.342 2.773 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070639 474254892 /nfs/dbraw/zinc/25/48/92/474254892.db2.gz GESCCDCBNGHGCD-ROUUACIJSA-N 1 0 343.496 2.927 40 0 EFABRO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000248081099 474257938 /nfs/dbraw/zinc/25/79/38/474257938.db2.gz AIJAPGWTKHTUHH-OAHLLOKOSA-N 1 0 334.435 2.565 40 0 EFABRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000248138481 474267829 /nfs/dbraw/zinc/26/78/29/474267829.db2.gz SNHLWKCAODEHPW-OAHLLOKOSA-N 1 0 340.452 2.857 40 0 EFABRO Cc1cc(CN2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)no1 ZINC000248158198 474272442 /nfs/dbraw/zinc/27/24/42/474272442.db2.gz WHWWXFOUTRCQFE-QGZVFWFLSA-N 1 0 333.476 2.553 40 0 EFABRO COCCOc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000237221033 474360225 /nfs/dbraw/zinc/36/02/25/474360225.db2.gz UMQIPPNWRMFZOO-AGUYFDCRSA-N 1 0 336.407 2.710 40 0 EFABRO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189372762 474376489 /nfs/dbraw/zinc/37/64/89/474376489.db2.gz QNSVDGLSSZIJKJ-AWEZNQCLSA-N 1 0 348.340 2.790 40 0 EFABRO Cc1cn(-c2ccccc2)nc1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237788830 474475447 /nfs/dbraw/zinc/47/54/47/474475447.db2.gz NRWCDXLNGUUABD-GOSISDBHSA-N 1 0 332.407 2.834 40 0 EFABRO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)CC1 ZINC000189965142 474519994 /nfs/dbraw/zinc/51/99/94/474519994.db2.gz IOEXEULXTKKDCV-ZBFHGGJFSA-N 1 0 325.497 2.610 40 0 EFABRO [NH3+][C@@H](C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccccc1 ZINC000238095710 474534744 /nfs/dbraw/zinc/53/47/44/474534744.db2.gz CTGPDTWFPDDNQG-NVXWUHKLSA-N 1 0 330.453 2.956 40 0 EFABRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000249181206 474542441 /nfs/dbraw/zinc/54/24/41/474542441.db2.gz IEQNZQBPNXCQNX-SQWLQELKSA-N 1 0 327.421 2.595 40 0 EFABRO COc1ccccc1C(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238956709 474544188 /nfs/dbraw/zinc/54/41/88/474544188.db2.gz YASJPVIKBUJYKQ-SFHVURJKSA-N 1 0 336.435 2.968 40 0 EFABRO O=C1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CN1CC(F)(F)F ZINC000249258822 474548423 /nfs/dbraw/zinc/54/84/23/474548423.db2.gz HIGTVUFLLSHESJ-UTLUCORTSA-N 1 0 332.288 2.860 40 0 EFABRO COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000242548900 474560254 /nfs/dbraw/zinc/56/02/54/474560254.db2.gz MANRXEBQSVJHMS-GUDVDZBRSA-N 1 0 345.464 2.526 40 0 EFABRO [NH3+]C[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242648560 474561866 /nfs/dbraw/zinc/56/18/66/474561866.db2.gz RABICIOCUMYJPX-PMPSAXMXSA-N 1 0 339.819 2.994 40 0 EFABRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000245338885 474573067 /nfs/dbraw/zinc/57/30/67/474573067.db2.gz PBBAPPJVAZJSMZ-MANSERQUSA-N 1 0 340.467 2.838 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1 ZINC000245338857 474573079 /nfs/dbraw/zinc/57/30/79/474573079.db2.gz OYGNFFQAQHPKAH-QBPKDAKJSA-N 1 0 349.450 2.541 40 0 EFABRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343883 474574149 /nfs/dbraw/zinc/57/41/49/474574149.db2.gz WGZOUMLDLMNRQY-LZQZEXGQSA-N 1 0 341.455 2.559 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000245338924 474574204 /nfs/dbraw/zinc/57/42/04/474574204.db2.gz PIMFJUUTLNVARC-LFAQGZIKSA-N 1 0 344.499 2.679 40 0 EFABRO Cc1nc(-c2cccc(CNC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)c2)n[nH]1 ZINC000245339093 474575108 /nfs/dbraw/zinc/57/51/08/474575108.db2.gz QKUKMWDIVDITBL-MCIONIFRSA-N 1 0 341.459 2.658 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000251552307 474638226 /nfs/dbraw/zinc/63/82/26/474638226.db2.gz HQUAQNVUUFZYSE-GBESFXJTSA-N 1 0 329.488 2.991 40 0 EFABRO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252487601 474672356 /nfs/dbraw/zinc/67/23/56/474672356.db2.gz ZJEVVRJGGITSDO-JFIYKMOQSA-N 1 0 333.476 2.826 40 0 EFABRO CC1(C)[C@H]([NH2+]C[C@H](O)c2cccc(OC(F)F)c2)[C@H]2CCO[C@H]21 ZINC000252487529 474672604 /nfs/dbraw/zinc/67/26/04/474672604.db2.gz YTUWMSDBGSJBAC-LXTVHRRPSA-N 1 0 327.371 2.725 40 0 EFABRO C[NH+](C)CC1CCC(NC(=O)N2CCC=C(Br)C2)CC1 ZINC000252495722 474678412 /nfs/dbraw/zinc/67/84/12/474678412.db2.gz OXRCSIUUKTVOEG-UHFFFAOYSA-N 1 0 344.297 2.801 40 0 EFABRO COC(=O)CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252511302 474688989 /nfs/dbraw/zinc/68/89/89/474688989.db2.gz ZXGVCFUBRPSVAM-WBVHZDCISA-N 1 0 346.471 2.745 40 0 EFABRO CC(C)[N@H+](CCN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517235 474692082 /nfs/dbraw/zinc/69/20/82/474692082.db2.gz CMOGGQYLBFWIAU-IYARVYRRSA-N 1 0 333.476 2.893 40 0 EFABRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H]2CCO[C@H]21 ZINC000252586670 474699681 /nfs/dbraw/zinc/69/96/81/474699681.db2.gz RQZNFBLJHSWOJI-UIBBOPPKSA-N 1 0 334.847 2.848 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(F)(F)F ZINC000253370185 474728207 /nfs/dbraw/zinc/72/82/07/474728207.db2.gz NMDYBXOFIGTFMM-GXTWGEPZSA-N 1 0 329.366 2.759 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(F)(F)F ZINC000253370186 474728673 /nfs/dbraw/zinc/72/86/73/474728673.db2.gz NMDYBXOFIGTFMM-TZMCWYRMSA-N 1 0 329.366 2.759 40 0 EFABRO Cc1noc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370842 474729447 /nfs/dbraw/zinc/72/94/47/474729447.db2.gz WYZVLHWUROFKSS-KZNAEPCWSA-N 1 0 326.444 2.768 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000253419909 474747039 /nfs/dbraw/zinc/74/70/39/474747039.db2.gz DYGDUMWMNDGAAH-FUHWJXTLSA-N 1 0 346.471 2.545 40 0 EFABRO Cn1cc(CCC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000253419155 474747637 /nfs/dbraw/zinc/74/76/37/474747637.db2.gz KAURBZDLHIRLQL-MAUKXSAKSA-N 1 0 346.500 2.614 40 0 EFABRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000253428502 474755034 /nfs/dbraw/zinc/75/50/34/474755034.db2.gz LDPQJFGTOAESDK-GUYCJALGSA-N 1 0 334.441 2.747 40 0 EFABRO c1cc2n(n1)C[C@@H](CCNc1ncccn1)C[N@H+](C1CCCC1)C2 ZINC000306127030 474806842 /nfs/dbraw/zinc/80/68/42/474806842.db2.gz FLYJZDDVAMRGQL-HNNXBMFYSA-N 1 0 326.448 2.550 40 0 EFABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000306127101 474807441 /nfs/dbraw/zinc/80/74/41/474807441.db2.gz FOJLENALEUOENF-HWWITLHISA-N 1 0 346.515 2.772 40 0 EFABRO CC(C)CNC(=O)c1nc2c(s1)C[C@@H]([NH2+]Cc1ccoc1)CC2 ZINC000306129399 474807963 /nfs/dbraw/zinc/80/79/63/474807963.db2.gz IBWQTEVDXCFGGF-ZDUSSCGKSA-N 1 0 333.457 2.769 40 0 EFABRO CC(C)n1cc2c(n1)C1(CC[NH+](Cc3ccco3)CC1)CN(C)C2=O ZINC000306136506 474809467 /nfs/dbraw/zinc/80/94/67/474809467.db2.gz PVMDEIRCGWLYPN-UHFFFAOYSA-N 1 0 342.443 2.676 40 0 EFABRO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)cs1 ZINC000306132910 474809982 /nfs/dbraw/zinc/80/99/82/474809982.db2.gz LVWYOHUSXZWGLP-SJORKVTESA-N 1 0 342.468 2.544 40 0 EFABRO CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000306134175 474810041 /nfs/dbraw/zinc/81/00/41/474810041.db2.gz NFDNXTGZJFUROZ-INIZCTEOSA-N 1 0 340.471 2.640 40 0 EFABRO CC(C)n1cnc([C@H]2C[N@H+](CC3CC3)C[C@@]23CCCN(C)C3=O)c1 ZINC000306131240 474810497 /nfs/dbraw/zinc/81/04/97/474810497.db2.gz JZDZIEJHHXALBA-APWZRJJASA-N 1 0 330.476 2.512 40 0 EFABRO CCOc1ccc(C[NH+]2CCC(c3nnc4ncccn43)CC2)cc1 ZINC000306139868 474811062 /nfs/dbraw/zinc/81/10/62/474811062.db2.gz UCZAJHBQYOOTEB-UHFFFAOYSA-N 1 0 337.427 2.903 40 0 EFABRO Cc1nnc2n1C1(CC[NH+](Cc3cc(C)cc(C)c3)CC1)CN(C)C2 ZINC000306140709 474811251 /nfs/dbraw/zinc/81/12/51/474811251.db2.gz VBMNUJVTVPYPFE-UHFFFAOYSA-N 1 0 339.487 2.640 40 0 EFABRO CC(C)C[N@@H+]1CCC[C@@H](c2ccnc3c(C(=O)NC(C)C)cnn32)C1 ZINC000306139691 474811655 /nfs/dbraw/zinc/81/16/55/474811655.db2.gz TXVJQIXMYJIGCY-OAHLLOKOSA-N 1 0 343.475 2.703 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144457 474811791 /nfs/dbraw/zinc/81/17/91/474811791.db2.gz ZFYUASLYBDVJTO-AEFFLSMTSA-N 1 0 333.439 2.588 40 0 EFABRO CO[C@@H]1CCCOC12CC[NH+](Cc1c(C)nc3sccn13)CC2 ZINC000257273458 474927839 /nfs/dbraw/zinc/92/78/39/474927839.db2.gz NGQGWGDPWVDZTP-OAHLLOKOSA-N 1 0 335.473 2.864 40 0 EFABRO NC(=O)c1cc(C[C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257254237 474928096 /nfs/dbraw/zinc/92/80/96/474928096.db2.gz KCHIRFPTRPCRFX-CQSZACIVSA-N 1 0 349.438 2.512 40 0 EFABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccc2)C1 ZINC000257227334 474928130 /nfs/dbraw/zinc/92/81/30/474928130.db2.gz FOUULAWTVNFINA-HXUWFJFHSA-N 1 0 342.414 2.535 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257282358 474929500 /nfs/dbraw/zinc/92/95/00/474929500.db2.gz OTKYTNRKVLHBEW-MRXNPFEDSA-N 1 0 326.444 2.566 40 0 EFABRO CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2cc(NC)nc(C)n2)c1C ZINC000257283336 474929640 /nfs/dbraw/zinc/92/96/40/474929640.db2.gz OXVUVTOUGGMPOO-QGZVFWFLSA-N 1 0 328.464 2.997 40 0 EFABRO CCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2cc(NC)nc(C)n2)c1C ZINC000257283335 474930436 /nfs/dbraw/zinc/93/04/36/474930436.db2.gz OXVUVTOUGGMPOO-KRWDZBQOSA-N 1 0 328.464 2.997 40 0 EFABRO Cc1nc([C@@H]2CCCC[NH2+]2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000257287377 474931758 /nfs/dbraw/zinc/93/17/58/474931758.db2.gz PPRBHJIIAFOULQ-INIZCTEOSA-N 1 0 328.391 2.669 40 0 EFABRO C[C@]12CCCC[N@H+](CC3=Cc4ccccc4OC3)[C@H]1CCC(=O)N2 ZINC000257286802 474931778 /nfs/dbraw/zinc/93/17/78/474931778.db2.gz PNCHWGFURFCJPL-ICSRJNTNSA-N 1 0 326.440 2.986 40 0 EFABRO Cc1cccc(C)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257288810 474934788 /nfs/dbraw/zinc/93/47/88/474934788.db2.gz PVUTWVXSUOGOBC-LJCCNALRSA-N 1 0 328.456 2.814 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 ZINC000257291057 474935489 /nfs/dbraw/zinc/93/54/89/474935489.db2.gz QFKQCDGVVFBQFZ-OAHLLOKOSA-N 1 0 336.443 2.785 40 0 EFABRO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1 ZINC000257296801 474937720 /nfs/dbraw/zinc/93/77/20/474937720.db2.gz RELVKPPAVWKCKC-MRXNPFEDSA-N 1 0 334.427 2.950 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCc2cccs2)cc1 ZINC000257295330 474939374 /nfs/dbraw/zinc/93/93/74/474939374.db2.gz QXXDCZXSATZMNV-KRWDZBQOSA-N 1 0 330.453 2.862 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2cncc(C[C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000257299609 474940983 /nfs/dbraw/zinc/94/09/83/474940983.db2.gz RQTYBVLIOPAIFH-CYBMUJFWSA-N 1 0 345.472 2.751 40 0 EFABRO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2F)[C@H]2C[NH2+]CC[C@H]21 ZINC000257300879 474941488 /nfs/dbraw/zinc/94/14/88/474941488.db2.gz RWAQNXKMMILFKR-JFIYKMOQSA-N 1 0 343.377 2.578 40 0 EFABRO Cc1csc(Nc2nccnc2C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000257310836 474946961 /nfs/dbraw/zinc/94/69/61/474946961.db2.gz UGVFQHKFDCQKOK-CQSZACIVSA-N 1 0 345.472 2.953 40 0 EFABRO COc1ccccc1[C@@H]1CN(C(=O)c2ccnn2C(C)C)CCN1C ZINC000257320602 474950696 /nfs/dbraw/zinc/95/06/96/474950696.db2.gz VXNUAKCYPYFGGQ-KRWDZBQOSA-N 1 0 342.443 2.602 40 0 EFABRO COc1ccccc1[C@H]1CN(C(=O)c2ccnn2C(C)C)CCN1C ZINC000257320603 474951011 /nfs/dbraw/zinc/95/10/11/474951011.db2.gz VXNUAKCYPYFGGQ-QGZVFWFLSA-N 1 0 342.443 2.602 40 0 EFABRO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCC[N@@H+]2Cc1ncc[nH]1 ZINC000257321991 474953117 /nfs/dbraw/zinc/95/31/17/474953117.db2.gz WEFJZYIAHIDOOF-BJLQDIEVSA-N 1 0 338.455 2.779 40 0 EFABRO CC(=O)Nc1ncc(-c2cnc(C[C@H]3CC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257325201 474954848 /nfs/dbraw/zinc/95/48/48/474954848.db2.gz WRYBQFOFPYSJLY-CYBMUJFWSA-N 1 0 345.472 2.831 40 0 EFABRO Cc1ncc(-c2cncc(C3CC[NH+](C4CCOCC4)CC3)n2)n1C ZINC000257325126 474955011 /nfs/dbraw/zinc/95/50/11/474955011.db2.gz WRORAOWGHKEQFM-UHFFFAOYSA-N 1 0 341.459 2.544 40 0 EFABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)c1 ZINC000257327791 474958106 /nfs/dbraw/zinc/95/81/06/474958106.db2.gz XCTKYIJEOFVIQQ-UHFFFAOYSA-N 1 0 340.814 2.914 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257336992 474961340 /nfs/dbraw/zinc/96/13/40/474961340.db2.gz YQXPBYDXPCXVDE-IBGZPJMESA-N 1 0 348.406 2.734 40 0 EFABRO Cn1nccc1CN1CC[N@H+](C)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257336995 474961364 /nfs/dbraw/zinc/96/13/64/474961364.db2.gz YQXQDBJRSJURSU-SFHVURJKSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000257337981 474961663 /nfs/dbraw/zinc/96/16/63/474961663.db2.gz YVHJDLSKRUNMFS-MRXNPFEDSA-N 1 0 340.402 2.828 40 0 EFABRO Cn1cnc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)c1 ZINC000257337950 474962103 /nfs/dbraw/zinc/96/21/03/474962103.db2.gz YVDCPYYQIZQCFG-UHFFFAOYSA-N 1 0 349.442 2.728 40 0 EFABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257337582 474962242 /nfs/dbraw/zinc/96/22/42/474962242.db2.gz YTKALKUFNZTCAJ-OAHLLOKOSA-N 1 0 348.454 2.904 40 0 EFABRO Cc1nc(CN2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)cs1 ZINC000257336695 474962325 /nfs/dbraw/zinc/96/23/25/474962325.db2.gz YPPPENHGGMNHOJ-UHFFFAOYSA-N 1 0 345.516 2.758 40 0 EFABRO Cc1cnc(C(=O)N2CCCC[C@@H]3[NH2+]C[C@@H](c4ccccc4)[C@@H]32)cn1 ZINC000257338578 474964294 /nfs/dbraw/zinc/96/42/94/474964294.db2.gz YYBAPFINNCSKJC-LNLFQRSKSA-N 1 0 336.439 2.535 40 0 EFABRO Cn1cc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c2cc(F)ccc21 ZINC000257343611 474964813 /nfs/dbraw/zinc/96/48/13/474964813.db2.gz ZTRYWJSODAFPHH-GOSISDBHSA-N 1 0 332.419 2.823 40 0 EFABRO Cc1nc(C)c(CCNc2cc(N3CCSCC3)ncn2)s1 ZINC000302869194 476209511 /nfs/dbraw/zinc/20/95/11/476209511.db2.gz AOAFXYIJILHTSB-UHFFFAOYSA-N 1 0 335.502 2.758 40 0 EFABRO C[C@H](C[C@@H](O)c1ccco1)Nc1cc(N2CCSCC2)ncn1 ZINC000302875910 476210278 /nfs/dbraw/zinc/21/02/78/476210278.db2.gz FFORHSZGJXOABG-CHWSQXEVSA-N 1 0 334.445 2.547 40 0 EFABRO C[C@H](C[C@H](O)c1ccco1)Nc1cc(N2CCSCC2)ncn1 ZINC000302875911 476210827 /nfs/dbraw/zinc/21/08/27/476210827.db2.gz FFORHSZGJXOABG-OLZOCXBDSA-N 1 0 334.445 2.547 40 0 EFABRO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CCN1C(=O)CCC1=O ZINC000390834518 476805619 /nfs/dbraw/zinc/80/56/19/476805619.db2.gz ABLUKXQUONWADW-GDBMZVCRSA-N 1 0 330.428 2.760 40 0 EFABRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccoc1C1CC1 ZINC000390835040 476806411 /nfs/dbraw/zinc/80/64/11/476806411.db2.gz BFWXKSMVIBMEAF-IRXDYDNUSA-N 1 0 332.444 2.655 40 0 EFABRO C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514290200 479022783 /nfs/dbraw/zinc/02/27/83/479022783.db2.gz VHRYCMUDSXSRIU-CMKODMSKSA-N 1 0 342.414 2.752 40 0 biogenic,in-vitro EFABRO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000514290333 479023085 /nfs/dbraw/zinc/02/30/85/479023085.db2.gz XUUIXNRJESUTKO-QUCCMNQESA-N 1 0 349.434 2.818 40 0 biogenic,in-vitro EFABRO C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1C1CCC1 ZINC000585097511 479281732 /nfs/dbraw/zinc/28/17/32/479281732.db2.gz KVQYZEPADMHJAO-GFCCVEGCSA-N 1 0 347.850 2.705 40 0 EFABRO Cc1ncc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585099940 479282358 /nfs/dbraw/zinc/28/23/58/479282358.db2.gz ARRTVDLFWZSXJB-INIZCTEOSA-N 1 0 325.453 2.768 40 0 EFABRO Cc1nc(CN2CCC[C@@]3(CN(Cc4cncs4)C3=O)C2)cs1 ZINC000585099353 479283400 /nfs/dbraw/zinc/28/34/00/479283400.db2.gz HDEOOGCXMVHORJ-INIZCTEOSA-N 1 0 348.497 2.533 40 0 EFABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102300 479284129 /nfs/dbraw/zinc/28/41/29/479284129.db2.gz WPFFNGGVHWMXEF-HXUWFJFHSA-N 1 0 339.439 2.562 40 0 EFABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000585102892 479284326 /nfs/dbraw/zinc/28/43/26/479284326.db2.gz GXSKOENCNDAAQG-GOSISDBHSA-N 1 0 346.471 2.767 40 0 EFABRO CN1CC[C@H](COCc2ccncc2)CC12C[NH+](CC1CCC1)C2 ZINC000585102661 479284797 /nfs/dbraw/zinc/28/47/97/479284797.db2.gz FFZPIUZWMAYPRI-IBGZPJMESA-N 1 0 329.488 2.795 40 0 EFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000585104004 479284953 /nfs/dbraw/zinc/28/49/53/479284953.db2.gz FLWZAQWAUZUIFF-SFHVURJKSA-N 1 0 341.455 2.788 40 0 EFABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000585102837 479285184 /nfs/dbraw/zinc/28/51/84/479285184.db2.gz KCLDXJYZAYXEFX-INIZCTEOSA-N 1 0 333.428 2.823 40 0 EFABRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)[C@H](O)C(F)(F)F ZINC000585139974 479297993 /nfs/dbraw/zinc/29/79/93/479297993.db2.gz COEZMNNCXKCMBE-ZFWWWQNUSA-N 1 0 342.365 2.520 40 0 EFABRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1SC ZINC000585141394 479298482 /nfs/dbraw/zinc/29/84/82/479298482.db2.gz VHVUXQRWCSEERV-FMKPAKJESA-N 1 0 326.437 2.653 40 0 EFABRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2ncccn2)[C@H]1C ZINC000585141589 479299010 /nfs/dbraw/zinc/29/90/10/479299010.db2.gz DDVLYRWZHZUYFE-QLFBSQMISA-N 1 0 334.464 2.990 40 0 EFABRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2CCCSCC2)c1 ZINC000585141958 479299752 /nfs/dbraw/zinc/29/97/52/479299752.db2.gz JSLKOYXKJFRMKH-DOTOQJQBSA-N 1 0 333.501 2.834 40 0 EFABRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000585141959 479300052 /nfs/dbraw/zinc/30/00/52/479300052.db2.gz JSLKOYXKJFRMKH-NVXWUHKLSA-N 1 0 333.501 2.834 40 0 EFABRO Nc1nc2nc(C3CC[NH+](Cc4ccccn4)CC3)ccc2s1 ZINC000585179612 479302340 /nfs/dbraw/zinc/30/23/40/479302340.db2.gz IYBFLKXSIYLTGV-UHFFFAOYSA-N 1 0 325.441 3.048 40 0 EFABRO C[N@@H+]1CCN(Cc2c[nH]cn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585182505 479303458 /nfs/dbraw/zinc/30/34/58/479303458.db2.gz NYQTWIJLNUQBEA-MRXNPFEDSA-N 1 0 335.455 2.564 40 0 EFABRO CCn1nc(C)c(C[N@@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)c1C ZINC000585273390 479304647 /nfs/dbraw/zinc/30/46/47/479304647.db2.gz ULHQOSFCCZTBFY-IBGZPJMESA-N 1 0 347.434 2.675 40 0 EFABRO COc1ncc(C[N@H+]2CC[C@H](OC)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585279171 479307615 /nfs/dbraw/zinc/30/76/15/479307615.db2.gz WOWXJAYTDYCXRM-AEFFLSMTSA-N 1 0 345.418 2.704 40 0 EFABRO CCC(CC)[N@@H+]1CCOC[C@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284327 479308189 /nfs/dbraw/zinc/30/81/89/479308189.db2.gz WYMURISXTXCMAV-KRWDZBQOSA-N 1 0 327.852 2.971 40 0 EFABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585282425 479308280 /nfs/dbraw/zinc/30/82/80/479308280.db2.gz JWCHBARNOGWQCS-OALUTQOASA-N 1 0 339.451 2.971 40 0 EFABRO O[C@H]1CC[N@@H+](C2CCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282761 479308534 /nfs/dbraw/zinc/30/85/34/479308534.db2.gz NSJASPPSMJDAHY-ROUUACIJSA-N 1 0 339.863 2.849 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCCn2ccnc2)[C@H]1O ZINC000585288531 479309426 /nfs/dbraw/zinc/30/94/26/479309426.db2.gz CZGZSWACMAKQGD-DFQSSKMNSA-N 1 0 343.471 2.922 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000585291753 479310464 /nfs/dbraw/zinc/31/04/64/479310464.db2.gz CDKUHIFDFSAOIL-MISYRCLQSA-N 1 0 340.398 2.628 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1Cl ZINC000585293458 479311178 /nfs/dbraw/zinc/31/11/78/479311178.db2.gz XIQUFKLFKLVTQA-KBAYOESNSA-N 1 0 335.806 2.800 40 0 EFABRO COc1cc(C(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)ccn1 ZINC000575414551 479442616 /nfs/dbraw/zinc/44/26/16/479442616.db2.gz JPFRXPRWYVBGQW-OAHLLOKOSA-N 1 0 336.395 2.836 40 0 EFABRO COc1ccc(C(=O)N2CCC[N@@H+](C3CCSCC3)CC2)cc1 ZINC000575605148 479449491 /nfs/dbraw/zinc/44/94/91/479449491.db2.gz AEBNWRPOFXXIAK-UHFFFAOYSA-N 1 0 334.485 2.739 40 0 EFABRO CC(C)c1ccnc(N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)n1 ZINC000225772357 535376626 /nfs/dbraw/zinc/37/66/26/535376626.db2.gz SYKNNYQICLQRKZ-SFHVURJKSA-N 1 0 348.491 2.655 40 0 EFABRO CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(C)c1)[N@H+](C)Cc1ccccc1 ZINC000225803265 535431177 /nfs/dbraw/zinc/43/11/77/535431177.db2.gz GZDMGVMXTGQQGI-SFHVURJKSA-N 1 0 339.439 2.943 40 0 EFABRO CC[NH+](CC)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 ZINC000248256264 535598921 /nfs/dbraw/zinc/59/89/21/535598921.db2.gz OHGBKNZZZSQYMS-KRWDZBQOSA-N 1 0 342.443 2.511 40 0 EFABRO CCN(C(=O)c1ccncc1)[C@H]1CCOC2(CC[NH+](C(C)C)CC2)C1 ZINC000257288563 535702761 /nfs/dbraw/zinc/70/27/61/535702761.db2.gz PURRHSWINKAQIJ-SFHVURJKSA-N 1 0 345.487 2.966 40 0 EFABRO CCc1nnsc1C(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257277834 535865265 /nfs/dbraw/zinc/86/52/65/535865265.db2.gz NZQSROYCNKVVAV-HNNXBMFYSA-N 1 0 345.472 2.534 40 0 EFABRO C[NH+](C)C[C@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1 ZINC000225788251 535951718 /nfs/dbraw/zinc/95/17/18/535951718.db2.gz DSHGMSGQTXFHAL-ZDUSSCGKSA-N 1 0 338.864 2.899 40 0 EFABRO CN(C(=O)CCc1cccs1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257201810 535978893 /nfs/dbraw/zinc/97/88/93/535978893.db2.gz AJDDAVJIBLAZSK-JFIYKMOQSA-N 1 0 336.501 2.517 40 0 EFABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccncc2)nc1 ZINC000257253382 536020678 /nfs/dbraw/zinc/02/06/78/536020678.db2.gz JYQVZUIFISPTAQ-FNQPIQQGSA-N 1 0 336.439 2.915 40 0 EFABRO CN(c1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257259471 536298314 /nfs/dbraw/zinc/29/83/14/536298314.db2.gz KYNRDYCLZOJRMX-KRWDZBQOSA-N 1 0 326.444 2.670 40 0 EFABRO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000257221914 536314505 /nfs/dbraw/zinc/31/45/05/536314505.db2.gz DRCOPLPZFLCWCN-GJZGRUSLSA-N 1 0 342.361 2.527 40 0 EFABRO C[NH+]1CCC(NC(=S)Nc2ccc(Br)cc2F)CC1 ZINC000225800028 536343826 /nfs/dbraw/zinc/34/38/26/536343826.db2.gz JDHCKGKOUKPSGT-UHFFFAOYSA-N 1 0 346.269 2.969 40 0 EFABRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000195561656 536593352 /nfs/dbraw/zinc/59/33/52/536593352.db2.gz KLVIAGOJILPPTJ-BHYGNILZSA-N 1 0 325.474 2.704 40 0 EFABRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2C2CC2)C1)C1CC1 ZINC000585084662 564133967 /nfs/dbraw/zinc/13/39/67/564133967.db2.gz JDHCMIRYIXKAPH-OAHLLOKOSA-N 1 0 348.512 2.858 40 0 EFABRO O=C(NCCc1ccc(O)cc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000027979452 717943453 /nfs/dbraw/zinc/94/34/53/717943453.db2.gz FQECENFHSGQTOH-UHFFFAOYSA-N 1 0 328.412 2.944 40 0 EFABRO c1ccc(-c2nnc3n2C[C@H]2CC[C@@H](C3)[N@@H+]2Cc2cccnc2)cc1 ZINC000675020423 1099653878 /nfs/dbraw/zinc/65/38/78/1099653878.db2.gz RLADKWXPDCFKPD-ZWKOTPCHSA-N 1 0 331.423 2.929 40 0 EFABRO CC1CC[NH+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)CC1 ZINC000053580011 214189356 /nfs/dbraw/zinc/18/93/56/214189356.db2.gz PFEISUULXXXSKN-UHFFFAOYSA-N 1 0 349.500 2.866 40 0 EFABRO Cc1ccc(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000174857932 231326396 /nfs/dbraw/zinc/32/63/96/231326396.db2.gz KYNDUJXBGLVBRW-GOSISDBHSA-N 1 0 342.439 2.763 40 0 EFABRO O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000097953467 219064012 /nfs/dbraw/zinc/06/40/12/219064012.db2.gz UCIKFMLUCIGCSS-LESCRADOSA-N 1 0 334.485 2.644 40 0 EFABRO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](C2CCCC2)C1 ZINC000097953675 219064639 /nfs/dbraw/zinc/06/46/39/219064639.db2.gz DLFJQWAIWBRKEC-BMGDILEWSA-N 1 0 348.512 2.829 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000097953785 219064704 /nfs/dbraw/zinc/06/47/04/219064704.db2.gz LPGMULJPPUHMBM-QRVBRYPASA-N 1 0 328.412 2.932 40 0 EFABRO O=C(N[C@H]1CC[C@H]([N@H+](CCO)C2CC2)CC1)OCc1ccccc1 ZINC000100178154 219094164 /nfs/dbraw/zinc/09/41/64/219094164.db2.gz ASKXXIQRRRYJQK-CALCHBBNSA-N 1 0 332.444 2.681 40 0 EFABRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Br)C1 ZINC000004276580 210159295 /nfs/dbraw/zinc/15/92/95/210159295.db2.gz HRWPKBAYEVQBLV-OLZOCXBDSA-N 1 0 328.250 2.921 40 0 EFABRO Cc1cccc(CC[NH2+]Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1 ZINC000004160538 210134921 /nfs/dbraw/zinc/13/49/21/210134921.db2.gz DPNVXNMYEPDCSF-UHFFFAOYSA-N 1 0 336.391 2.898 40 0 EFABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044080862 213608354 /nfs/dbraw/zinc/60/83/54/213608354.db2.gz BBINOEVWBUOQDQ-AWEZNQCLSA-N 1 0 349.500 2.866 40 0 EFABRO COCc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)C2(C)C)no1 ZINC000067890245 215242442 /nfs/dbraw/zinc/24/24/42/215242442.db2.gz CHCJHFDLEMOTCM-PXAZEXFGSA-N 1 0 334.416 2.653 40 0 biogenic,in-vitro EFABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690230 213463179 /nfs/dbraw/zinc/46/31/79/213463179.db2.gz LGEBOWPOLKLAJM-INMHGKMJSA-N 1 0 325.424 2.845 40 0 EFABRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2nccn2c1 ZINC000068389717 215305535 /nfs/dbraw/zinc/30/55/35/215305535.db2.gz HVNZKUBJBZXPBG-SFHVURJKSA-N 1 0 348.450 2.629 40 0 EFABRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000180334302 233834482 /nfs/dbraw/zinc/83/44/82/233834482.db2.gz GKCRGLFEYWFAKV-ZDUSSCGKSA-N 1 0 345.472 2.815 40 0 EFABRO CC(C)[NH2+]C[C@@H](O)CO[C@@H]1c2ccccc2C(=O)N1c1ccccc1 ZINC000001846389 209798269 /nfs/dbraw/zinc/79/82/69/209798269.db2.gz KUHVZVZAYMLXGA-OXQOHEQNSA-N 1 0 340.423 2.721 40 0 in-man EFABRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000040466261 213309372 /nfs/dbraw/zinc/30/93/72/213309372.db2.gz CTNCNYPBNIPOEA-LJQANCHMSA-N 1 0 344.411 2.654 40 0 EFABRO COC(=O)c1ccc([C@H]2CCC[NH2+]C2)c(I)c1 ZINC000039951826 213245329 /nfs/dbraw/zinc/24/53/29/213245329.db2.gz LYENAGSBIGZHOX-JTQLQIEISA-N 1 0 345.180 2.545 40 0 EFABRO Fc1cccc(-c2ncnc3c2CC[N@H+](C[C@H]2CCOC2)CC3)c1 ZINC000096187658 283012797 /nfs/dbraw/zinc/01/27/97/283012797.db2.gz WORYOOSRFHNXBW-CQSZACIVSA-N 1 0 327.403 2.720 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590305 283177204 /nfs/dbraw/zinc/17/72/04/283177204.db2.gz SBLITLHHYWGWSZ-GOSISDBHSA-N 1 0 336.439 2.832 40 0 EFABRO O=C1CCCN1c1ccc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)cc1 ZINC000036743619 213115829 /nfs/dbraw/zinc/11/58/29/213115829.db2.gz CMDKBESPMMDBNK-OAQYLSRUSA-N 1 0 336.435 2.907 40 0 EFABRO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000036079729 213060214 /nfs/dbraw/zinc/06/02/14/213060214.db2.gz DPZYMFHOEGULJY-GOSISDBHSA-N 1 0 330.453 2.802 40 0 EFABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025345 213056695 /nfs/dbraw/zinc/05/66/95/213056695.db2.gz VECLMGKGWXLRCE-DTXAGUPXSA-N 1 0 327.509 2.934 40 0 EFABRO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)C)n2)c1 ZINC000035425080 213027506 /nfs/dbraw/zinc/02/75/06/213027506.db2.gz IRMUAXNXODOANM-INIZCTEOSA-N 1 0 346.431 2.950 40 0 biogenic,in-vitro EFABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)cn1 ZINC000035425254 213026835 /nfs/dbraw/zinc/02/68/35/213026835.db2.gz WQFWNICKUKGFSQ-HNNXBMFYSA-N 1 0 343.431 2.879 40 0 biogenic,in-vitro EFABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)ccn1 ZINC000035424827 213027633 /nfs/dbraw/zinc/02/76/33/213027633.db2.gz YIVNWUFSHRXVSW-AWEZNQCLSA-N 1 0 332.404 2.702 40 0 biogenic,in-vitro EFABRO CC[NH+]1CCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000035311595 213020093 /nfs/dbraw/zinc/02/00/93/213020093.db2.gz IFOTZIAOUPEDMF-UHFFFAOYSA-N 1 0 337.467 2.530 40 0 EFABRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000031666923 212741981 /nfs/dbraw/zinc/74/19/81/212741981.db2.gz UBTSEOZFUIROJD-IBGZPJMESA-N 1 0 326.440 2.557 40 0 EFABRO Cc1csc(C(=O)N2CCC(C[N@H+]3CCN(C)C[C@H]3C)CC2)c1 ZINC000107286058 219760209 /nfs/dbraw/zinc/76/02/09/219760209.db2.gz HXIOKPOLMKOWHF-OAHLLOKOSA-N 1 0 335.517 2.545 40 0 EFABRO Cn1cc(C[NH2+][C@@H]2[C@@H](c3ccccc3)C[C@@H](O)[C@H]2O)c2ccccc21 ZINC000072321870 216150293 /nfs/dbraw/zinc/15/02/93/216150293.db2.gz BTBJXPJHYTVOFI-CWJKEVGVSA-N 1 0 336.435 2.546 40 0 biogenic,in-vitro EFABRO Clc1cccc(-c2c[nH]c([C@@H]3COCCN3C3CC[NH2+]CC3)n2)c1 ZINC000072322138 216150302 /nfs/dbraw/zinc/15/03/02/216150302.db2.gz JPPBLWPSCFHNIK-KRWDZBQOSA-N 1 0 346.862 2.855 40 0 biogenic,in-vitro EFABRO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072355440 216164760 /nfs/dbraw/zinc/16/47/60/216164760.db2.gz ITGLBLUYPJMDHA-KRWDZBQOSA-N 1 0 348.454 2.999 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2ccccc2OC)C1 ZINC000072358500 216166183 /nfs/dbraw/zinc/16/61/83/216166183.db2.gz PCCAWPMMOOOOGW-OAHLLOKOSA-N 1 0 327.428 2.978 40 0 EFABRO Cc1cc(CCC(=O)NCc2cccnc2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360550 216166866 /nfs/dbraw/zinc/16/68/66/216166866.db2.gz LHELXZVTUFHWTH-IBGZPJMESA-N 1 0 338.455 2.801 40 0 EFABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349517 216160132 /nfs/dbraw/zinc/16/01/32/216160132.db2.gz GHSPZYDRMAANJQ-GOSISDBHSA-N 1 0 337.467 2.940 40 0 EFABRO Cc1sc2c(C3CCN(C(=O)C[NH+](C)C)CC3)nc(C)n2c1C ZINC000072351262 216162070 /nfs/dbraw/zinc/16/20/70/216162070.db2.gz GOUZSWMYXOAVKM-UHFFFAOYSA-N 1 0 334.489 2.589 40 0 EFABRO COCC[NH+]1CCC(Cc2cccc(Nc3ncccn3)n2)CC1 ZINC000072355026 216163638 /nfs/dbraw/zinc/16/36/38/216163638.db2.gz OOEXPBIYBMWTOB-UHFFFAOYSA-N 1 0 327.432 2.516 40 0 EFABRO Cc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355423 216164440 /nfs/dbraw/zinc/16/44/40/216164440.db2.gz DPSMOCSTKPTINE-INIZCTEOSA-N 1 0 334.427 2.745 40 0 EFABRO [NH3+]CC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072363210 216170031 /nfs/dbraw/zinc/17/00/31/216170031.db2.gz DVDXJKCNJWCDOL-LBPRGKRZSA-N 1 0 346.818 2.587 40 0 EFABRO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365922 216171093 /nfs/dbraw/zinc/17/10/93/216171093.db2.gz GRSRQKLZASBSIE-OAHLLOKOSA-N 1 0 342.418 2.663 40 0 EFABRO CNC(=O)[C@@]1(CCCc2cccnc2)CCC[N@@H+]1Cc1ccccn1 ZINC000072367250 216172472 /nfs/dbraw/zinc/17/24/72/216172472.db2.gz XQCBXLRMMDYCHI-HXUWFJFHSA-N 1 0 338.455 2.580 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000072361797 216167772 /nfs/dbraw/zinc/16/77/72/216167772.db2.gz YLFDLZVFZFXKBM-HNNXBMFYSA-N 1 0 327.432 2.749 40 0 EFABRO C[N@@H+]1CCC[C@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1 ZINC000072369349 216175881 /nfs/dbraw/zinc/17/58/81/216175881.db2.gz URMYALMELUKNRL-MRXNPFEDSA-N 1 0 330.476 2.767 40 0 EFABRO COCC[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376822 216178575 /nfs/dbraw/zinc/17/85/75/216178575.db2.gz TXILDFVFAZTFAI-KRWDZBQOSA-N 1 0 342.443 2.908 40 0 EFABRO Cc1csc(Nc2cc([C@H]3CCCC[N@@H+]3CCO)nc(C)n2)n1 ZINC000072382637 216183251 /nfs/dbraw/zinc/18/32/51/216183251.db2.gz PKZMPZQVJHTTSU-CQSZACIVSA-N 1 0 333.461 2.813 40 0 EFABRO COCCNc1cc([C@@H]2CC[N@@H+]2CCc2ccccc2)nc(C)n1 ZINC000072387525 216187071 /nfs/dbraw/zinc/18/70/71/216187071.db2.gz IPAAEZFEXUDHHG-SFHVURJKSA-N 1 0 326.444 2.833 40 0 EFABRO c1cc(N2CCOCC2)nnc1C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072387266 216187279 /nfs/dbraw/zinc/18/72/79/216187279.db2.gz OIPQOFXEYOPCJS-MRXNPFEDSA-N 1 0 330.476 2.510 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccco3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392889 216190991 /nfs/dbraw/zinc/19/09/91/216190991.db2.gz NMBOUQXGZNCFJL-OAHLLOKOSA-N 1 0 336.395 2.805 40 0 EFABRO c1cc(C[N@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)ccn1 ZINC000072387307 216186657 /nfs/dbraw/zinc/18/66/57/216186657.db2.gz KJXFSHCDGBJWSF-SFHVURJKSA-N 1 0 337.471 2.927 40 0 EFABRO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1ccc(Cl)cc1 ZINC000130197210 223131505 /nfs/dbraw/zinc/13/15/05/223131505.db2.gz MTUWOOPNVUNWTI-UONOGXRCSA-N 1 0 339.867 2.700 40 0 EFABRO Cc1cc(C[NH2+]CCCN2CCC(O)CC2)ccc1Br ZINC000072737702 216302525 /nfs/dbraw/zinc/30/25/25/216302525.db2.gz JTFSBCJSDBWSJO-UHFFFAOYSA-N 1 0 341.293 2.694 40 0 EFABRO C[C@@H]1CCc2ccccc2N1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000072844784 216314592 /nfs/dbraw/zinc/31/45/92/216314592.db2.gz NMMWWIOMEIEGOU-MRXNPFEDSA-N 1 0 341.499 2.961 40 0 EFABRO COc1ccccc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000026439233 212520237 /nfs/dbraw/zinc/52/02/37/212520237.db2.gz QBUBITKTAYVNJJ-UHFFFAOYSA-N 1 0 331.460 2.584 40 0 EFABRO OCC[NH2+]CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000023468434 212377771 /nfs/dbraw/zinc/37/77/71/212377771.db2.gz UXZKRIVAMJTOER-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO COCC[NH+]1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023127923 212352134 /nfs/dbraw/zinc/35/21/34/212352134.db2.gz KBYCEMWXONCGMS-UHFFFAOYSA-N 1 0 344.377 2.794 40 0 EFABRO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000023127551 212352158 /nfs/dbraw/zinc/35/21/58/212352158.db2.gz UUOGATSNPMMFAB-UHFFFAOYSA-N 1 0 330.881 2.739 40 0 EFABRO COc1ccc(CC(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127997 212351717 /nfs/dbraw/zinc/35/17/17/212351717.db2.gz FAKOJDYBVKPIBU-UHFFFAOYSA-N 1 0 342.439 2.859 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000022787566 212325339 /nfs/dbraw/zinc/32/53/39/212325339.db2.gz WIVRCHJUARYGOA-HOCLYGCPSA-N 1 0 345.443 2.898 40 0 EFABRO CC[NH+]1CCN([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000022787390 212324971 /nfs/dbraw/zinc/32/49/71/212324971.db2.gz IINQORGUSWRWTQ-CYBMUJFWSA-N 1 0 339.867 2.622 40 0 EFABRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000022787586 212324639 /nfs/dbraw/zinc/32/46/39/212324639.db2.gz WIVRCHJUARYGOA-GDBMZVCRSA-N 1 0 345.443 2.898 40 0 EFABRO Nc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccn1 ZINC000193544405 240207224 /nfs/dbraw/zinc/20/72/24/240207224.db2.gz ZYHUEJABEVBHKS-LBPRGKRZSA-N 1 0 325.338 2.716 40 0 EFABRO CCc1ncc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000193852563 240335054 /nfs/dbraw/zinc/33/50/54/240335054.db2.gz OVQFRQYAYDHEOO-MRXNPFEDSA-N 1 0 339.443 2.683 40 0 EFABRO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000195577838 241025634 /nfs/dbraw/zinc/02/56/34/241025634.db2.gz XCDWWROYWGUQCP-AWEZNQCLSA-N 1 0 341.402 2.566 40 0 EFABRO C[NH2+]CCCN(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199800416 241040647 /nfs/dbraw/zinc/04/06/47/241040647.db2.gz RTIWZXZTPRCZCU-UHFFFAOYSA-N 1 0 341.246 2.968 40 0 EFABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218443930 241322648 /nfs/dbraw/zinc/32/26/48/241322648.db2.gz CMCXQBLTVDMMBV-FHWLQOOXSA-N 1 0 345.464 2.526 40 0 EFABRO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022038013 212272213 /nfs/dbraw/zinc/27/22/13/212272213.db2.gz FZYGLXLTKSKKPV-WSTZPKSXSA-N 1 0 332.488 2.515 40 0 EFABRO [NH3+]C[C@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663813 241336644 /nfs/dbraw/zinc/33/66/44/241336644.db2.gz RABICIOCUMYJPX-HRCADAONSA-N 1 0 339.819 2.994 40 0 EFABRO COc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000225732133 242006987 /nfs/dbraw/zinc/00/69/87/242006987.db2.gz KQTXGMHKVARWNF-OKILXGFUSA-N 1 0 336.505 2.745 40 0 EFABRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302069 243015048 /nfs/dbraw/zinc/01/50/48/243015048.db2.gz YPHVWFDQBHHXSO-DLBZAZTESA-N 1 0 340.423 2.522 40 0 EFABRO C[C@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000241795534 243003924 /nfs/dbraw/zinc/00/39/24/243003924.db2.gz RZZPUBTTXNAANK-FUHWJXTLSA-N 1 0 345.487 2.644 40 0 EFABRO Cc1ccc(N2CCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)CC2)nn1 ZINC000241965590 243008623 /nfs/dbraw/zinc/00/86/23/243008623.db2.gz UUBOMLXYRVQIGG-QGZVFWFLSA-N 1 0 346.862 2.684 40 0 EFABRO c1cc(-c2nnc3ccc(N4CCC([NH2+]C5CC5)CC4)nn32)cs1 ZINC000253430459 243979272 /nfs/dbraw/zinc/97/92/72/243979272.db2.gz LJBAFUMQRTVAKF-UHFFFAOYSA-N 1 0 340.456 2.574 40 0 EFABRO COc1cccc(O[C@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000020493079 212139325 /nfs/dbraw/zinc/13/93/25/212139325.db2.gz SMZGGPJQUASUDQ-IXDOHACOSA-N 1 0 348.487 2.947 40 0 EFABRO c1cc2n(c1)[C@@H](COCc1ccncc1)C[N@H+](CC1CCOCC1)C2 ZINC000253595444 244027664 /nfs/dbraw/zinc/02/76/64/244027664.db2.gz DLHFGHKIHWOXCW-HXUWFJFHSA-N 1 0 341.455 2.883 40 0 EFABRO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(C)CC1 ZINC000020412276 212126505 /nfs/dbraw/zinc/12/65/05/212126505.db2.gz ZUKCIQSRUJAJJS-QQTQMKHKSA-N 1 0 332.488 2.692 40 0 biogenic EFABRO c1cncc(C[C@@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)c1 ZINC000257206180 244134608 /nfs/dbraw/zinc/13/46/08/244134608.db2.gz BCEVBWBNBOHBTE-SFHVURJKSA-N 1 0 337.471 2.927 40 0 EFABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccsc2)C1 ZINC000257207449 244139360 /nfs/dbraw/zinc/13/93/60/244139360.db2.gz BHUFSNZWQKDDBU-SFHVURJKSA-N 1 0 348.443 2.596 40 0 EFABRO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257211392 244155167 /nfs/dbraw/zinc/15/51/67/244155167.db2.gz BYRDGETZXFKHGS-IBGZPJMESA-N 1 0 349.438 2.931 40 0 EFABRO CC(=O)N1CC2(CC[NH+](Cc3ccccc3C)CC2)C[C@@H](O)C1(C)C ZINC000257223001 244192414 /nfs/dbraw/zinc/19/24/14/244192414.db2.gz DVLVEZVFSHSPBP-LJQANCHMSA-N 1 0 344.499 2.969 40 0 EFABRO CNc1ncccc1CN1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257224846 244199833 /nfs/dbraw/zinc/19/98/33/244199833.db2.gz FDQYFOXPILTQMB-KRWDZBQOSA-N 1 0 340.475 2.620 40 0 EFABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257227252 244203322 /nfs/dbraw/zinc/20/33/22/244203322.db2.gz FOIJERFKPXTDRE-INIZCTEOSA-N 1 0 327.428 2.879 40 0 EFABRO CC(=O)Nc1cccc([C@@H]2C[N@@H+](C(C)C)C[C@]23CCCCC(=O)N3)c1 ZINC000257229948 244210659 /nfs/dbraw/zinc/21/06/59/244210659.db2.gz GACQEQKBACJLIH-AZUAARDMSA-N 1 0 343.471 2.882 40 0 EFABRO c1csc(C[N@H+]2CCC[C@H]2c2cncc(CN3CCOCC3)n2)c1 ZINC000257231209 244212349 /nfs/dbraw/zinc/21/23/49/244212349.db2.gz GFUIIKMPIBKBOX-SFHVURJKSA-N 1 0 344.484 2.707 40 0 EFABRO Cn1nccc1CN1CC[N@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257231577 244214873 /nfs/dbraw/zinc/21/48/73/244214873.db2.gz GHIQQZJVUFQLJG-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO c1cnc(Nc2cc(C3CC[NH+]([C@H]4CCOC4)CC3)ccn2)cn1 ZINC000257220449 244181002 /nfs/dbraw/zinc/18/10/02/244181002.db2.gz DKWOUIAILSYZIO-INIZCTEOSA-N 1 0 325.416 2.584 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2cncc([C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000257244779 244253430 /nfs/dbraw/zinc/25/34/30/244253430.db2.gz IMSFWHCKXCXFIM-LBPRGKRZSA-N 1 0 331.445 2.676 40 0 EFABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257244753 244253714 /nfs/dbraw/zinc/25/37/14/244253714.db2.gz IMQCNTPAWKQIOZ-INIZCTEOSA-N 1 0 341.459 2.781 40 0 EFABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)C(C)(C)O)C2)[nH+]1 ZINC000257245904 244256546 /nfs/dbraw/zinc/25/65/46/244256546.db2.gz IRPFFOZEIAEZDU-GFCCVEGCSA-N 1 0 346.456 2.677 40 0 EFABRO CCCn1ccnc1CN1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233871 244222393 /nfs/dbraw/zinc/22/23/93/244222393.db2.gz GRDACPUBXIIKOA-KRWDZBQOSA-N 1 0 342.491 2.790 40 0 EFABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@@H+](C4CCOCC4)C3)ccc12 ZINC000257237397 244232209 /nfs/dbraw/zinc/23/22/09/244232209.db2.gz HGGQCYNITVENBW-LJQANCHMSA-N 1 0 328.460 2.809 40 0 EFABRO Cn1ccnc1-c1cc(CC2CC[NH+](Cc3cccnc3)CC2)ncn1 ZINC000257239840 244238853 /nfs/dbraw/zinc/23/88/53/244238853.db2.gz HRAWKKSYLCMNGB-UHFFFAOYSA-N 1 0 348.454 2.727 40 0 EFABRO Cc1cc2nccc(C3CC[NH+](CC4(O)CCCCC4)CC3)n2n1 ZINC000257248815 244262665 /nfs/dbraw/zinc/26/26/65/244262665.db2.gz JFIJXSPIMHSCFX-UHFFFAOYSA-N 1 0 328.460 2.912 40 0 EFABRO c1csc([C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257253663 244276263 /nfs/dbraw/zinc/27/62/63/244276263.db2.gz JZUDZCIHKSLECP-AWEZNQCLSA-N 1 0 329.473 2.913 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2nc3ccccc3n2C)cc1 ZINC000257255432 244281556 /nfs/dbraw/zinc/28/15/56/244281556.db2.gz KHLQBMSUPHHPBV-IBGZPJMESA-N 1 0 336.439 2.728 40 0 EFABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nccc(C)n3)C2)cc1CO ZINC000257256097 244282973 /nfs/dbraw/zinc/28/29/73/244282973.db2.gz KKBHICRCOGBSFQ-INIZCTEOSA-N 1 0 327.428 2.666 40 0 EFABRO Cc1ccc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257257571 244288818 /nfs/dbraw/zinc/28/88/18/244288818.db2.gz KQEWLRKCJYAFIK-GOSISDBHSA-N 1 0 325.460 2.887 40 0 EFABRO O=C1O[C@@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccccc1)C2 ZINC000257269183 244369980 /nfs/dbraw/zinc/36/99/80/244369980.db2.gz MOXFGYKUWXBPFR-FQEVSTJZSA-N 1 0 338.407 2.914 40 0 EFABRO Cc1cncc(C[N@@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)c1 ZINC000257261099 244346599 /nfs/dbraw/zinc/34/65/99/244346599.db2.gz LFSBJDNQYNSQCC-GOSISDBHSA-N 1 0 336.439 2.729 40 0 EFABRO O[C@H]1CN(Cc2cscn2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257260951 244348055 /nfs/dbraw/zinc/34/80/55/244348055.db2.gz LFEKWZAPXFLSLF-OALUTQOASA-N 1 0 343.496 2.745 40 0 EFABRO Cc1cc(C)nc(N2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)n1 ZINC000257264412 244355098 /nfs/dbraw/zinc/35/50/98/244355098.db2.gz LUGQEIRCQQFKRU-MRXNPFEDSA-N 1 0 326.448 2.595 40 0 EFABRO COc1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)nc2C)cc1 ZINC000257272654 244383956 /nfs/dbraw/zinc/38/39/56/244383956.db2.gz NDHSSVLEEIHLKF-UHFFFAOYSA-N 1 0 326.400 2.513 40 0 EFABRO CCCn1cc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257276819 244393898 /nfs/dbraw/zinc/39/38/98/244393898.db2.gz NVGHUUKVBNANBD-SFHVURJKSA-N 1 0 342.491 2.790 40 0 EFABRO CCc1cc(C[C@@H]2CCC[N@H+](CCC(N)=O)CC2)c2cnccc2n1 ZINC000257278316 244397608 /nfs/dbraw/zinc/39/76/08/244397608.db2.gz OBTBTKDPLDPXNV-OAHLLOKOSA-N 1 0 340.471 2.712 40 0 EFABRO C[C@@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000019913971 212083588 /nfs/dbraw/zinc/08/35/88/212083588.db2.gz BUXKCOXPBUKEKR-SJLPKXTDSA-N 1 0 336.501 2.713 40 0 EFABRO O=C(c1cc2ccccc2s1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257328995 244543267 /nfs/dbraw/zinc/54/32/67/244543267.db2.gz XHYIRAJNRBZJIZ-SFHVURJKSA-N 1 0 330.453 2.574 40 0 EFABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCc2ccccn2)c1 ZINC000257343979 244579270 /nfs/dbraw/zinc/57/92/70/244579270.db2.gz ZVFBDOCFCTYZAW-UHFFFAOYSA-N 1 0 332.407 2.575 40 0 EFABRO Cc1cc(-c2cncnc2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019692181 212055584 /nfs/dbraw/zinc/05/55/84/212055584.db2.gz YUKLLMPWYVECGH-UHFFFAOYSA-N 1 0 348.454 2.960 40 0 EFABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019578070 212047042 /nfs/dbraw/zinc/04/70/42/212047042.db2.gz IZMPISYIFYCJSR-WFASDCNBSA-N 1 0 340.899 2.590 40 0 EFABRO COc1ccc(-c2[nH]c3ncccc3c2C[NH+]2CCN(C)CC2)cc1 ZINC000019590056 212049413 /nfs/dbraw/zinc/04/94/13/212049413.db2.gz HWAQJXODMUGHGA-UHFFFAOYSA-N 1 0 336.439 2.986 40 0 EFABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)ncc2C1 ZINC000019590660 212048549 /nfs/dbraw/zinc/04/85/49/212048549.db2.gz RYSURPOSIZLWTG-UHFFFAOYSA-N 1 0 342.487 2.751 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)ncc2C1 ZINC000019590497 212047938 /nfs/dbraw/zinc/04/79/38/212047938.db2.gz OWNMTGYKSWQOMF-QGZVFWFLSA-N 1 0 328.460 2.708 40 0 EFABRO CN(C)c1nc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)cc(=O)[nH]1 ZINC000019585131 212047599 /nfs/dbraw/zinc/04/75/99/212047599.db2.gz MDZZROMSZZTZIK-UHFFFAOYSA-N 1 0 348.397 2.906 40 0 EFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575126 212045313 /nfs/dbraw/zinc/04/53/13/212045313.db2.gz HEMNDFAKYONICJ-KGLIPLIRSA-N 1 0 330.457 2.889 40 0 EFABRO COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(O)c2)c1 ZINC000019552658 212041568 /nfs/dbraw/zinc/04/15/68/212041568.db2.gz KCPNLWJISBFUPF-MJGOQNOKSA-N 1 0 344.386 2.649 40 0 EFABRO Cc1c(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cnn1C ZINC000019553581 212041331 /nfs/dbraw/zinc/04/13/31/212041331.db2.gz BGZCQAWOXJCQLX-UHFFFAOYSA-N 1 0 338.415 2.553 40 0 EFABRO CCCn1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000019526074 212037561 /nfs/dbraw/zinc/03/75/61/212037561.db2.gz CZQHKJLDODTLBU-RYQLBKOJSA-N 1 0 327.472 2.691 40 0 EFABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019503724 212035588 /nfs/dbraw/zinc/03/55/88/212035588.db2.gz KQDLYIANGVHBTP-HNNXBMFYSA-N 1 0 328.416 2.589 40 0 EFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@@H]1C)Cc1ccccc1O2 ZINC000019495832 212032179 /nfs/dbraw/zinc/03/21/79/212032179.db2.gz RULZVUCBNCEQOK-ABKMUHTPSA-N 1 0 328.456 2.964 40 0 EFABRO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC000019401426 212026099 /nfs/dbraw/zinc/02/60/99/212026099.db2.gz SJOUZXDSIDHIGI-HTZLVSCSSA-N 1 0 348.450 2.989 40 0 EFABRO [NH3+]CC(=O)N1[C@@H]2CC[C@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 ZINC000019373010 212023862 /nfs/dbraw/zinc/02/38/62/212023862.db2.gz JQLIUIXDRJOVPP-ZBFHGGJFSA-N 1 0 349.438 2.645 40 0 EFABRO O=c1cc(-c2cccnc2)nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339110 212018667 /nfs/dbraw/zinc/01/86/67/212018667.db2.gz CSRWABVXGDHDMR-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccn1-c1cccc(F)c1 ZINC000019294370 212013420 /nfs/dbraw/zinc/01/34/20/212013420.db2.gz BIHZBQXKQZDBLM-OALUTQOASA-N 1 0 343.446 2.647 40 0 EFABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccn1-c1cccc(F)c1 ZINC000019294369 212012795 /nfs/dbraw/zinc/01/27/95/212012795.db2.gz BIHZBQXKQZDBLM-MOPGFXCFSA-N 1 0 343.446 2.647 40 0 EFABRO O=C(CC1CCCCC1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292300 212011888 /nfs/dbraw/zinc/01/18/88/212011888.db2.gz GBMCGKANAOYFAF-INIZCTEOSA-N 1 0 342.487 2.799 40 0 EFABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4cccc(C)n4)C3)cc(N)n2n1 ZINC000019236224 212007420 /nfs/dbraw/zinc/00/74/20/212007420.db2.gz FTPRYAHYQOTPDT-OAHLLOKOSA-N 1 0 336.443 2.703 40 0 EFABRO Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)s1 ZINC000019217036 212005753 /nfs/dbraw/zinc/00/57/53/212005753.db2.gz USZAPNGIFBRJSP-HNNXBMFYSA-N 1 0 342.468 2.860 40 0 EFABRO Cc1ncc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)n1C ZINC000019208428 212004518 /nfs/dbraw/zinc/00/45/18/212004518.db2.gz XBWXYLGODKXNDC-UHFFFAOYSA-N 1 0 338.499 2.886 40 0 EFABRO CC[NH+]1CCN(CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000078394403 217046359 /nfs/dbraw/zinc/04/63/59/217046359.db2.gz YADXCQSENOUCDI-UHFFFAOYSA-N 1 0 349.906 2.863 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000078394323 217046439 /nfs/dbraw/zinc/04/64/39/217046439.db2.gz XCALAKMQEKKWGU-HNNXBMFYSA-N 1 0 329.444 2.638 40 0 EFABRO Cn1cc(C[NH2+]CCOc2ccc(F)cc2F)c(-c2cccnc2)n1 ZINC000078604181 217085025 /nfs/dbraw/zinc/08/50/25/217085025.db2.gz HWQZLKWVQXIIHQ-UHFFFAOYSA-N 1 0 344.365 2.929 40 0 EFABRO Cn1cc(C[NH2+]Cc2ccccc2-n2ccnc2)c(-c2cccnc2)n1 ZINC000078612736 217087837 /nfs/dbraw/zinc/08/78/37/217087837.db2.gz LPKYZPPNTCGOSB-UHFFFAOYSA-N 1 0 344.422 2.958 40 0 EFABRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000078776852 217119840 /nfs/dbraw/zinc/11/98/40/217119840.db2.gz FRLOUXGTMBHJKZ-HXUWFJFHSA-N 1 0 340.471 2.900 40 0 EFABRO Cn1cc(-c2ncc(C(=O)Nc3cccc(C[NH+](C)C)c3)s2)cn1 ZINC000078989607 217167451 /nfs/dbraw/zinc/16/74/51/217167451.db2.gz KSYRTMBPTYSDIC-UHFFFAOYSA-N 1 0 341.440 2.858 40 0 EFABRO Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000078996654 217169861 /nfs/dbraw/zinc/16/98/61/217169861.db2.gz GEYZLARRRKXHFC-KBXCAEBGSA-N 1 0 340.471 2.879 40 0 EFABRO CNS(=O)(=O)Cc1ccc(C[NH2+]C/C(C)=C/c2ccccc2)cc1 ZINC000078979843 217164006 /nfs/dbraw/zinc/16/40/06/217164006.db2.gz QXCHONMSEZGWMG-FOWTUZBSSA-N 1 0 344.480 2.929 40 0 EFABRO COc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000079028939 217177783 /nfs/dbraw/zinc/17/77/83/217177783.db2.gz OVDHWNPGIVUIOR-UHFFFAOYSA-N 1 0 342.237 2.673 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2cccn2C)CCOCC1)c1ccccc1 ZINC000079096326 217191654 /nfs/dbraw/zinc/19/16/54/217191654.db2.gz YYZGQYYKOSTZCD-MRXNPFEDSA-N 1 0 341.455 2.655 40 0 EFABRO Cc1cc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)on1 ZINC000079096188 217191701 /nfs/dbraw/zinc/19/17/01/217191701.db2.gz FUBTYDNVMMDIRR-HNNXBMFYSA-N 1 0 343.427 2.613 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2ccoc2)CCOCC1)c1ccccc1 ZINC000079096408 217191725 /nfs/dbraw/zinc/19/17/25/217191725.db2.gz LLCDTBMGOFZZTK-OAHLLOKOSA-N 1 0 328.412 2.909 40 0 EFABRO COC(=O)CC[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000079354507 217213064 /nfs/dbraw/zinc/21/30/64/217213064.db2.gz MLGSLMOTCQMZEG-KRWDZBQOSA-N 1 0 328.412 2.779 40 0 EFABRO CSC[C@@H](C)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110667438 220054120 /nfs/dbraw/zinc/05/41/20/220054120.db2.gz PKCLNZISOXPMJR-OAGGEKHMSA-N 1 0 342.549 2.723 40 0 EFABRO [NH3+]CCN1CCCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391031 217217287 /nfs/dbraw/zinc/21/72/87/217217287.db2.gz KVZGVYACXOUDAY-SFHVURJKSA-N 1 0 331.460 2.601 40 0 EFABRO O=C(N[C@H]1CCCC[C@@H]1[N@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390936 217217814 /nfs/dbraw/zinc/21/78/14/217217814.db2.gz NZZLMXNIPUTZKV-ROUUACIJSA-N 1 0 332.444 2.681 40 0 EFABRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677963 220055245 /nfs/dbraw/zinc/05/52/45/220055245.db2.gz DAXGSWATMUXOHS-RDTXWAMCSA-N 1 0 336.863 2.972 40 0 EFABRO [NH3+]CCN(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391882 217218178 /nfs/dbraw/zinc/21/81/78/217218178.db2.gz ASJWIBRFFMOXHH-ROUUACIJSA-N 1 0 331.460 2.647 40 0 EFABRO C[NH+](C)Cc1ccc(NC(=O)CCc2nncn2-c2ccccc2)cc1 ZINC000079451082 217225910 /nfs/dbraw/zinc/22/59/10/217225910.db2.gz DQDOLEPJOKMPDO-UHFFFAOYSA-N 1 0 349.438 2.900 40 0 EFABRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000111795209 220191303 /nfs/dbraw/zinc/19/13/03/220191303.db2.gz JYGGNTLMUMEGQE-SNVBAGLBSA-N 1 0 331.243 2.939 40 0 EFABRO CC(C)[NH+]1CCN(C(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000081937845 217454545 /nfs/dbraw/zinc/45/45/45/217454545.db2.gz HHUUZNMYDFJDGK-UHFFFAOYSA-N 1 0 338.455 2.860 40 0 EFABRO CCOc1ncc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1Cl ZINC000422627378 246409085 /nfs/dbraw/zinc/40/90/85/246409085.db2.gz ODECBXAMUKMSJO-ZDUSSCGKSA-N 1 0 331.803 2.664 40 0 EFABRO O=C(Cn1cccc2cc([C@@H]3CCC[NH2+]C3)nc1-2)NC1CCCC1 ZINC000012337666 211350884 /nfs/dbraw/zinc/35/08/84/211350884.db2.gz MZIYPVIXZDKBCT-OAHLLOKOSA-N 1 0 326.444 2.514 40 0 EFABRO Cc1cc(-c2cnc(NCC[NH+](C)C)nc2-c2ccc(C)nc2)on1 ZINC000012337052 211350721 /nfs/dbraw/zinc/35/07/21/211350721.db2.gz LZRAPXKWUPGJGD-UHFFFAOYSA-N 1 0 338.415 2.784 40 0 EFABRO COc1cccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000012292506 211335573 /nfs/dbraw/zinc/33/55/73/211335573.db2.gz IOERBOTXHXPRJI-LJQANCHMSA-N 1 0 345.414 2.851 40 0 EFABRO CCc1c(C)nc(NC2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000012276298 211333923 /nfs/dbraw/zinc/33/39/23/211333923.db2.gz GCAVHESIMVBYOC-UHFFFAOYSA-N 1 0 326.444 2.717 40 0 EFABRO CCCO[C@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012241464 211328640 /nfs/dbraw/zinc/32/86/40/211328640.db2.gz QJAPKVSCHNOLBQ-INIZCTEOSA-N 1 0 329.444 2.518 40 0 EFABRO CCCO[C@@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012241459 211327915 /nfs/dbraw/zinc/32/79/15/211327915.db2.gz QJAPKVSCHNOLBQ-MRXNPFEDSA-N 1 0 329.444 2.518 40 0 EFABRO CCOCCC[NH2+]Cc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186418 211313556 /nfs/dbraw/zinc/31/35/56/211313556.db2.gz AJZXOOWTDGPQDZ-UHFFFAOYSA-N 1 0 340.427 2.538 40 0 EFABRO C[C@H](C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012185066 211312485 /nfs/dbraw/zinc/31/24/85/211312485.db2.gz GWGNBJHBMASGSZ-OAHLLOKOSA-N 1 0 338.455 2.532 40 0 EFABRO CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CC[NH2+]CC1 ZINC000012157442 211309532 /nfs/dbraw/zinc/30/95/32/211309532.db2.gz XEEZPWYTHFHYST-CYBMUJFWSA-N 1 0 334.391 2.642 40 0 EFABRO O=C1NCCCC12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000012227896 211324806 /nfs/dbraw/zinc/32/48/06/211324806.db2.gz WRWQCKMHMYIARY-UHFFFAOYSA-N 1 0 336.819 2.561 40 0 EFABRO CC(C)NC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012220216 211322235 /nfs/dbraw/zinc/32/22/35/211322235.db2.gz RQIPOOFYQMGLBZ-VQIMIIECSA-N 1 0 347.434 2.603 40 0 EFABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012156676 211309140 /nfs/dbraw/zinc/30/91/40/211309140.db2.gz UWPFRUZIJHUSDB-QAPCUYQASA-N 1 0 334.391 2.642 40 0 EFABRO O=C(Cn1c(C2CC[NH2+]CC2)cc2cccnc21)NC1CCCC1 ZINC000012133725 211302093 /nfs/dbraw/zinc/30/20/93/211302093.db2.gz JQROCJINMATWNG-UHFFFAOYSA-N 1 0 326.444 2.562 40 0 EFABRO CCN(CC)C(=O)C[NH+]1CCC(c2ccc(OC)c(OC)c2)CC1 ZINC000012113965 211293012 /nfs/dbraw/zinc/29/30/12/211293012.db2.gz XSMVVUYSRKQNRX-UHFFFAOYSA-N 1 0 334.460 2.752 40 0 EFABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000012148642 211307168 /nfs/dbraw/zinc/30/71/68/211307168.db2.gz NNEGDVHHAAPLRP-OAHLLOKOSA-N 1 0 341.459 2.508 40 0 EFABRO Nc1cc2ccccc2nc1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000012087801 211290185 /nfs/dbraw/zinc/29/01/85/211290185.db2.gz BLHQYPUUYUYPDS-UHFFFAOYSA-N 1 0 338.455 2.619 40 0 EFABRO Cc1ccc(OC2CC[NH+]([C@H](C)CN3CCOCC3)CC2)cc1C ZINC000091509655 218014845 /nfs/dbraw/zinc/01/48/45/218014845.db2.gz LSXTWQKJXHDYCV-GOSISDBHSA-N 1 0 332.488 2.867 40 0 EFABRO O=C(CC(F)(F)F)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000092663841 218157651 /nfs/dbraw/zinc/15/76/51/218157651.db2.gz BNFZKHHDQPYEMB-UHFFFAOYSA-N 1 0 325.334 2.765 40 0 EFABRO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000093683172 218242540 /nfs/dbraw/zinc/24/25/40/218242540.db2.gz YGAXZQZUKPATPB-CYBMUJFWSA-N 1 0 330.350 2.586 40 0 EFABRO Cc1nc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000095393067 218324941 /nfs/dbraw/zinc/32/49/41/218324941.db2.gz KYJZDFMNSJVWBU-AWEZNQCLSA-N 1 0 342.443 2.897 40 0 EFABRO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000095409688 218346861 /nfs/dbraw/zinc/34/68/61/218346861.db2.gz ZJEVVRJGGITSDO-JZXOWHBKSA-N 1 0 333.476 2.826 40 0 EFABRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000095416616 218356315 /nfs/dbraw/zinc/35/63/15/218356315.db2.gz VCBUIUFDCRSZQI-KRWDZBQOSA-N 1 0 339.487 2.696 40 0 EFABRO C[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000095421502 218363209 /nfs/dbraw/zinc/36/32/09/218363209.db2.gz SUXQGTPSWARDOP-OAHLLOKOSA-N 1 0 346.496 2.784 40 0 EFABRO CC[NH+](CC)[C@H](CNc1ccc2nnnn2n1)c1ccccc1Cl ZINC000008852374 284825648 /nfs/dbraw/zinc/82/56/48/284825648.db2.gz IHEFZZHXPGXKNZ-CQSZACIVSA-N 1 0 345.838 2.668 40 0 EFABRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)cc1F)C(C)C ZINC000007653312 210825823 /nfs/dbraw/zinc/82/58/23/210825823.db2.gz GGZWTKYZMAPOJN-UHFFFAOYSA-N 1 0 336.860 2.876 40 0 EFABRO Fc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cc1 ZINC000096061049 218554214 /nfs/dbraw/zinc/55/42/14/218554214.db2.gz KRTRQEOKBVOBMZ-HNNXBMFYSA-N 1 0 344.415 2.834 40 0 EFABRO Fc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)cc1 ZINC000096061084 218554619 /nfs/dbraw/zinc/55/46/19/218554619.db2.gz GYDQHCFSSZNLFC-KRWDZBQOSA-N 1 0 338.386 2.773 40 0 EFABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096100333 218593461 /nfs/dbraw/zinc/59/34/61/218593461.db2.gz IGHZLYVOKCIVGS-OAQYLSRUSA-N 1 0 333.435 2.982 40 0 EFABRO COc1ccc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)cc1 ZINC000096157809 218631752 /nfs/dbraw/zinc/63/17/52/218631752.db2.gz UHRYKPMYZZLKRC-UHFFFAOYSA-N 1 0 328.456 2.920 40 0 EFABRO Cc1ccc(N2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)nn1 ZINC000096158487 218632847 /nfs/dbraw/zinc/63/28/47/218632847.db2.gz PBGQTJWXOKGKNH-QGZVFWFLSA-N 1 0 330.476 2.504 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)o1 ZINC000096199703 218671122 /nfs/dbraw/zinc/67/11/22/218671122.db2.gz HSGLQYIMLUMAJA-KRWDZBQOSA-N 1 0 325.412 2.621 40 0 EFABRO O=C1CCC2(CC[NH+](C[C@H]3CCOC3)CC2)N1Cc1cccc(F)c1 ZINC000096228269 218705942 /nfs/dbraw/zinc/70/59/42/218705942.db2.gz AOMQDVYSFLWHEM-QGZVFWFLSA-N 1 0 346.446 2.819 40 0 EFABRO Brc1cccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)c1 ZINC000217557204 532966917 /nfs/dbraw/zinc/96/69/17/532966917.db2.gz NKZNVTCJWPZVLZ-LLVKDONJSA-N 1 0 344.216 2.631 40 0 EFABRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000096434681 218811605 /nfs/dbraw/zinc/81/16/05/218811605.db2.gz KHZAYRWSRLLTQJ-MRXNPFEDSA-N 1 0 344.459 2.544 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000096435380 218813722 /nfs/dbraw/zinc/81/37/22/218813722.db2.gz FNJJLXIUGSEMNP-KRWDZBQOSA-N 1 0 341.459 2.541 40 0 EFABRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476508 218853151 /nfs/dbraw/zinc/85/31/51/218853151.db2.gz PMHZTJWRBTWSNF-DOMZBBRYSA-N 1 0 349.427 2.884 40 0 EFABRO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000096491648 218869339 /nfs/dbraw/zinc/86/93/39/218869339.db2.gz ICWUDZDJJLMLLS-HUUCEWRRSA-N 1 0 325.499 2.867 40 0 EFABRO CC[NH+](CC)CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004907996 210319366 /nfs/dbraw/zinc/31/93/66/210319366.db2.gz NFNXRYDMJKACTN-UHFFFAOYSA-N 1 0 336.823 2.645 40 0 EFABRO CCOc1cccc(CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000097234385 219001822 /nfs/dbraw/zinc/00/18/22/219001822.db2.gz GMNGTXJUZDIFNE-IEBWSBKVSA-N 1 0 345.487 2.754 40 0 EFABRO O=C1[C@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1c1ccccc1 ZINC000097237672 219003035 /nfs/dbraw/zinc/00/30/35/219003035.db2.gz MGVJEMKNJSXFOY-MRXNPFEDSA-N 1 0 342.468 2.507 40 0 EFABRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000097238283 219003309 /nfs/dbraw/zinc/00/33/09/219003309.db2.gz LZPQDRRCBQAENV-LJQANCHMSA-N 1 0 342.414 2.712 40 0 EFABRO COCCn1c(SCC[NH+]2CCCCC2)nnc1-c1ccco1 ZINC000004861191 210304736 /nfs/dbraw/zinc/30/47/36/210304736.db2.gz MFIZFPLKAPKQPI-UHFFFAOYSA-N 1 0 336.461 2.763 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000097371068 219016442 /nfs/dbraw/zinc/01/64/42/219016442.db2.gz YOANHQOXIRNYQC-KBXCAEBGSA-N 1 0 338.448 2.866 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000097371067 219016652 /nfs/dbraw/zinc/01/66/52/219016652.db2.gz YOANHQOXIRNYQC-KDOFPFPSSA-N 1 0 338.448 2.866 40 0 EFABRO CCn1cc(C(=O)NCC(C)(C)[NH+](C)C)c(=O)c2cc(Cl)ccc21 ZINC000097375209 219018411 /nfs/dbraw/zinc/01/84/11/219018411.db2.gz HBZVEBZXUMBEFN-UHFFFAOYSA-N 1 0 349.862 2.745 40 0 EFABRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000097375067 219018569 /nfs/dbraw/zinc/01/85/69/219018569.db2.gz CFSOAKNTEIODJR-IAGOWNOFSA-N 1 0 344.480 2.717 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000097378894 219020453 /nfs/dbraw/zinc/02/04/53/219020453.db2.gz PQIPRVZOMOXOTK-KXBFYZLASA-N 1 0 348.450 2.742 40 0 EFABRO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117032521 221025434 /nfs/dbraw/zinc/02/54/34/221025434.db2.gz LREZYYSOHHRBNE-CRAIPNDOSA-N 1 0 349.475 2.507 40 0 EFABRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Br)cc1F ZINC000119122193 221249669 /nfs/dbraw/zinc/24/96/69/221249669.db2.gz YOPWAFKGCJAQCR-VIFPVBQESA-N 1 0 329.213 2.765 40 0 EFABRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000189717902 533373617 /nfs/dbraw/zinc/37/36/17/533373617.db2.gz OHGJXMYSSRTWNG-WMLDXEAASA-N 1 0 331.464 2.946 40 0 EFABRO O=C(C[NH2+]CCC1=CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311447 132389788 /nfs/dbraw/zinc/38/97/88/132389788.db2.gz PAMJZKZKFHSMKY-UHFFFAOYSA-N 1 0 343.471 2.942 40 0 EFABRO C[C@](O)(C[NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000090909261 132822392 /nfs/dbraw/zinc/82/23/92/132822392.db2.gz OQVVAQYLBFITCR-IBGZPJMESA-N 1 0 329.419 2.687 40 0 EFABRO CCOC(=O)c1n[nH]cc1-c1cncn1[C@@H](CC)C[NH+]1CCCCC1 ZINC000019719724 285975909 /nfs/dbraw/zinc/97/59/09/285975909.db2.gz BOTKROOOFZKMQP-AWEZNQCLSA-N 1 0 345.447 2.887 40 0 EFABRO COc1cc([C@H]2[NH2+]CCc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000004783072 286248142 /nfs/dbraw/zinc/24/81/42/286248142.db2.gz JOJDCQKCLZTHFR-GOSISDBHSA-N 1 0 343.379 2.676 40 0 EFABRO Cc1cc([C@@](C)(O)C[NH2+]C2CCN(Cc3cccnc3)CC2)c(C)o1 ZINC000164178628 226052187 /nfs/dbraw/zinc/05/21/87/226052187.db2.gz RWNDGVRBAGNOEI-FQEVSTJZSA-N 1 0 343.471 2.753 40 0 EFABRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000281073780 273397871 /nfs/dbraw/zinc/39/78/71/273397871.db2.gz TYROQWVKWWUKLH-CHWSQXEVSA-N 1 0 331.865 2.664 40 0 EFABRO COc1ccc(Cl)cc1-c1nc(N)nc(NN2CCCCC2)[nH+]1 ZINC000000407473 274111705 /nfs/dbraw/zinc/11/17/05/274111705.db2.gz NPPCUMFVTIHCEW-UHFFFAOYSA-N 1 0 334.811 2.596 40 0 EFABRO COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2[NH3+])cc1 ZINC000218125589 274118019 /nfs/dbraw/zinc/11/80/19/274118019.db2.gz YNXZHERJGQKRTC-OWCLPIDISA-N 1 0 337.828 2.616 40 0 EFABRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000004023020 274249435 /nfs/dbraw/zinc/24/94/35/274249435.db2.gz HEBNAYZDCNQROW-PJIJBLCYSA-N 1 0 327.380 2.645 40 0 EFABRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000090943730 274474212 /nfs/dbraw/zinc/47/42/12/274474212.db2.gz PEICCPQBNBMYQE-SSDOTTSWSA-N 1 0 339.155 2.821 40 0 EFABRO O=c1c2ccccc2nc2n1C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccccc1 ZINC000019371559 275043245 /nfs/dbraw/zinc/04/32/45/275043245.db2.gz QMOWGMCEYDFDFC-DLBZAZTESA-N 1 0 331.419 2.986 40 0 EFABRO c1csc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)n1 ZINC000096047221 275074755 /nfs/dbraw/zinc/07/47/55/275074755.db2.gz YOGZWLPWPQSWPX-UHFFFAOYSA-N 1 0 329.473 2.816 40 0 EFABRO CC1(C)Cc2ccccc2[C@@H]2OCC3(CC[NH+](CC(N)=O)CC3)C[C@H]21 ZINC000257317878 276151150 /nfs/dbraw/zinc/15/11/50/276151150.db2.gz VLODRWHYTYWKNC-MJGOQNOKSA-N 1 0 342.483 2.914 40 0 EFABRO CN1C(=O)c2ccccc2[C@H](O)[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000019461864 277021994 /nfs/dbraw/zinc/02/19/94/277021994.db2.gz CDVBKHQCSLCOAU-IRFCIJBXSA-N 1 0 336.435 2.696 40 0 EFABRO C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c2c1CCCCC2 ZINC000257292808 277045473 /nfs/dbraw/zinc/04/54/73/277045473.db2.gz QNAKFDFWFJBCRV-IAGOWNOFSA-N 1 0 330.476 2.768 40 0 EFABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccco1)CC2 ZINC000096240378 277603768 /nfs/dbraw/zinc/60/37/68/277603768.db2.gz KQPFDUSIKDGERN-MRXNPFEDSA-N 1 0 342.443 2.577 40 0 EFABRO COc1ccc2c3c([n+](C)cc2c1OC)-c1cc2c(cc1C3)OCO2 ZINC000001680552 277999212 /nfs/dbraw/zinc/99/92/12/277999212.db2.gz PLFPONPYHSHMAW-UHFFFAOYSA-N 1 0 336.367 2.981 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391457 280271289 /nfs/dbraw/zinc/27/12/89/280271289.db2.gz XSNGYMXHIHQXME-CABCVRRESA-N 1 0 341.496 2.606 40 0 EFABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000096436013 280321396 /nfs/dbraw/zinc/32/13/96/280321396.db2.gz ABZACMXNDGUIAM-KRWDZBQOSA-N 1 0 340.414 2.716 40 0 EFABRO Cc1cccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC000096061993 281192362 /nfs/dbraw/zinc/19/23/62/281192362.db2.gz ZTVHUEAHIOKTBS-OAHLLOKOSA-N 1 0 341.459 2.644 40 0 EFABRO CN1c2ccccc2C(=O)N(CCC[NH+](C)C)c2ccccc2C1=O ZINC000005510343 289115951 /nfs/dbraw/zinc/11/59/51/289115951.db2.gz CJBWZOIOKPRJLU-UHFFFAOYSA-N 1 0 337.423 2.875 40 0 EFABRO COc1cccc2cc(C(=O)N3CCCSC[C@@H]3C[NH+](C)C)oc21 ZINC000085473118 295343356 /nfs/dbraw/zinc/34/33/56/295343356.db2.gz FYYXTSVLJWPDPC-AWEZNQCLSA-N 1 0 348.468 2.951 40 0 EFABRO Fc1ccc2ncnc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000301266279 311127967 /nfs/dbraw/zinc/12/79/67/311127967.db2.gz HWWGLUGKMFDSGJ-ZDUSSCGKSA-N 1 0 330.407 2.682 40 0 EFABRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)C3CCOCC3)C2)cc(OC)c1 ZINC000095423681 323213259 /nfs/dbraw/zinc/21/32/59/323213259.db2.gz OBGZEGLFBODIIJ-CRAIPNDOSA-N 1 0 348.487 2.683 40 0 EFABRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000097228257 323213701 /nfs/dbraw/zinc/21/37/01/323213701.db2.gz JRPUQTPPRBRAKD-UXPWSPDFSA-N 1 0 337.467 2.885 40 0 EFABRO CNC(=O)Cc1nc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cs1 ZINC000133470915 323219505 /nfs/dbraw/zinc/21/95/05/323219505.db2.gz XOZVDVREVKNUHQ-HOTGVXAUSA-N 1 0 329.469 2.858 40 0 EFABRO Cc1cc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n(C)n1 ZINC000163473397 323222806 /nfs/dbraw/zinc/22/28/06/323222806.db2.gz RAXAEWBKAWZNIO-LJQANCHMSA-N 1 0 326.444 2.513 40 0 EFABRO NC(=O)C[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181940339 323256682 /nfs/dbraw/zinc/25/66/82/323256682.db2.gz QQLFAIOHXZNEPT-CYBMUJFWSA-N 1 0 339.277 2.969 40 0 EFABRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183130053 323318204 /nfs/dbraw/zinc/31/82/04/323318204.db2.gz DMWKKGRLSRMNDF-MRXNPFEDSA-N 1 0 332.492 2.768 40 0 EFABRO Cc1c([C@H](C)[NH2+]CC(C)(C)C(N)=O)cnn1-c1cccc(Cl)c1 ZINC000183643185 323344722 /nfs/dbraw/zinc/34/47/22/323344722.db2.gz STFYZXZEHCRDEC-NSHDSACASA-N 1 0 334.851 2.996 40 0 EFABRO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000081689302 473243054 /nfs/dbraw/zinc/24/30/54/473243054.db2.gz IYHGUNDDKUWQSA-CQSZACIVSA-N 1 0 348.516 2.844 40 0 EFABRO c1ccc(CCN2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161743798 473257067 /nfs/dbraw/zinc/25/70/67/473257067.db2.gz ZYJDYRXRWZZSOG-UHFFFAOYSA-N 1 0 344.499 2.969 40 0 EFABRO CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccoc3)C2)CC1 ZINC000096038938 473259061 /nfs/dbraw/zinc/25/90/61/473259061.db2.gz HLASQJFIEZGUPD-KZNAEPCWSA-N 1 0 332.444 2.518 40 0 EFABRO c1cncc(OC[C@]23CCCO[C@@H]2CC[N@H+](CC2CCOCC2)C3)c1 ZINC000096040059 473260101 /nfs/dbraw/zinc/26/01/01/473260101.db2.gz YXNOUDZYINEKGT-WOJBJXKFSA-N 1 0 346.471 2.758 40 0 EFABRO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041640 473261898 /nfs/dbraw/zinc/26/18/98/473261898.db2.gz HMWQMODRQYFRPI-XUVXKRRUSA-N 1 0 331.456 2.862 40 0 EFABRO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccc2)C1 ZINC000096041276 473262271 /nfs/dbraw/zinc/26/22/71/473262271.db2.gz SIKDEQIYGYPMAA-QXAKKESOSA-N 1 0 340.423 2.575 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042828 473265321 /nfs/dbraw/zinc/26/53/21/473265321.db2.gz NJAYWYBTOBGUDC-USXIJHARSA-N 1 0 343.452 2.761 40 0 EFABRO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)s1 ZINC000096046458 473266548 /nfs/dbraw/zinc/26/65/48/473266548.db2.gz PMRMQNHADMYFQU-UHFFFAOYSA-N 1 0 327.453 2.800 40 0 EFABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096047525 473270041 /nfs/dbraw/zinc/27/00/41/473270041.db2.gz LDQJDBITOCWNHG-IBGZPJMESA-N 1 0 334.435 2.819 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC(C)C)CO3)CC2)o1 ZINC000096048162 473271387 /nfs/dbraw/zinc/27/13/87/473271387.db2.gz MFBDXZISCUJJQD-INIZCTEOSA-N 1 0 334.460 2.874 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3ccoc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050764 473273017 /nfs/dbraw/zinc/27/30/17/473273017.db2.gz AMVWFFGBKFAIMD-LJQANCHMSA-N 1 0 340.379 2.637 40 0 EFABRO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096050210 473273062 /nfs/dbraw/zinc/27/30/62/473273062.db2.gz STKUFVPFRNPCCH-LJQANCHMSA-N 1 0 341.480 2.671 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)nc1 ZINC000096049558 473273195 /nfs/dbraw/zinc/27/31/95/473273195.db2.gz VNTIBNKXAOXAKB-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO CC(C)CN1CCN(C)C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096050046 473274674 /nfs/dbraw/zinc/27/46/74/473274674.db2.gz WAQLCKKEUHWXTB-UHFFFAOYSA-N 1 0 335.517 2.513 40 0 EFABRO O=C(N[C@H]1CCC12CC[NH+](Cc1cccs1)CC2)c1cnccn1 ZINC000096051478 473275104 /nfs/dbraw/zinc/27/51/04/473275104.db2.gz PGGOQLSDDDDUEU-INIZCTEOSA-N 1 0 342.468 2.713 40 0 EFABRO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053708 473275603 /nfs/dbraw/zinc/27/56/03/473275603.db2.gz MFOPUBWJVFEQQB-YOEHRIQHSA-N 1 0 330.428 2.978 40 0 EFABRO O=C(N[C@@H]1CCC12CC[NH+](Cc1cccs1)CC2)c1cnccn1 ZINC000096051479 473276688 /nfs/dbraw/zinc/27/66/88/473276688.db2.gz PGGOQLSDDDDUEU-MRXNPFEDSA-N 1 0 342.468 2.713 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055112 473279206 /nfs/dbraw/zinc/27/92/06/473279206.db2.gz VCDMXQBQZCWDQR-DLBZAZTESA-N 1 0 329.469 2.618 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cs1 ZINC000096055033 473279750 /nfs/dbraw/zinc/27/97/50/473279750.db2.gz JHQVMIFJKJYNCS-ZWKOTPCHSA-N 1 0 329.469 2.618 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000096061399 473285159 /nfs/dbraw/zinc/28/51/59/473285159.db2.gz CDSHXGCBXBZDJI-KRWDZBQOSA-N 1 0 325.412 2.621 40 0 EFABRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061381 473285194 /nfs/dbraw/zinc/28/51/94/473285194.db2.gz HJQQJGSWESQCIZ-GOSISDBHSA-N 1 0 339.414 2.859 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CCCC4=O)[C@H]3C2)s1 ZINC000096056243 473280645 /nfs/dbraw/zinc/28/06/45/473280645.db2.gz MRFBDESTOZDIEZ-BHYGNILZSA-N 1 0 334.485 2.516 40 0 EFABRO c1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)ccn1 ZINC000096056428 473281224 /nfs/dbraw/zinc/28/12/24/473281224.db2.gz RPUBRNRUILEYKL-VAMGGRTRSA-N 1 0 346.471 2.647 40 0 EFABRO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21)N1CCCC1 ZINC000096057210 473281413 /nfs/dbraw/zinc/28/14/13/473281413.db2.gz OKWLFUZUJSJUSH-LMMKCTJWSA-N 1 0 346.446 2.533 40 0 EFABRO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096056036 473281957 /nfs/dbraw/zinc/28/19/57/473281957.db2.gz PSXUXIPSFFFFHU-ICSRJNTNSA-N 1 0 346.471 2.767 40 0 EFABRO Fc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096062470 473285274 /nfs/dbraw/zinc/28/52/74/473285274.db2.gz MPQIKMFGBJFJGM-FQEVSTJZSA-N 1 0 341.430 2.950 40 0 EFABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 ZINC000096058329 473283067 /nfs/dbraw/zinc/28/30/67/473283067.db2.gz QWWJLWZZVVEXGI-LNLFQRSKSA-N 1 0 336.439 2.727 40 0 EFABRO CCOC[C@@H]1C[N@H+](CC2CCOCC2)Cc2ncn(CC3CC3)c21 ZINC000096060334 473283717 /nfs/dbraw/zinc/28/37/17/473283717.db2.gz AVQIVGCOCMYBCT-KRWDZBQOSA-N 1 0 333.476 2.655 40 0 EFABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]21)N1CCCC1 ZINC000096058263 473283784 /nfs/dbraw/zinc/28/37/84/473283784.db2.gz VJPISXJIBXHMCC-IXDOHACOSA-N 1 0 334.485 2.598 40 0 EFABRO COc1ccc(C[NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)cc1 ZINC000096059748 473284511 /nfs/dbraw/zinc/28/45/11/473284511.db2.gz NSFYHFPPYYMRKT-GOSISDBHSA-N 1 0 327.428 2.705 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(C)C)C3)C2)cc1F ZINC000096071109 473289821 /nfs/dbraw/zinc/28/98/21/473289821.db2.gz SVRVFKRTBACAQK-LJQANCHMSA-N 1 0 334.435 2.915 40 0 EFABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1ccsc1)CC2 ZINC000096061374 473286087 /nfs/dbraw/zinc/28/60/87/473286087.db2.gz HROLHJRNSYFPMR-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096065416 473286557 /nfs/dbraw/zinc/28/65/57/473286557.db2.gz XBIXOCSHAJWBJT-QYZOEREBSA-N 1 0 343.427 2.635 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096065338 473287003 /nfs/dbraw/zinc/28/70/03/473287003.db2.gz QWJAQYOLNGDKKJ-ZACQAIPSSA-N 1 0 346.452 2.779 40 0 EFABRO O=C(NC1CCCC1)[C@H]1C[N@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065579 473287146 /nfs/dbraw/zinc/28/71/46/473287146.db2.gz ILVCACFSCJQBHM-YESZJQIVSA-N 1 0 334.485 2.644 40 0 EFABRO CCS(=O)(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2F)C1 ZINC000096071285 473289890 /nfs/dbraw/zinc/28/98/90/473289890.db2.gz ODZUEMVOYQSFGJ-KRWDZBQOSA-N 1 0 340.464 2.606 40 0 EFABRO O=C(NCCc1cccs1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](C2CCCC2)C1 ZINC000096064955 473288054 /nfs/dbraw/zinc/28/80/54/473288054.db2.gz DLFJQWAIWBRKEC-ZTFGCOKTSA-N 1 0 348.512 2.829 40 0 EFABRO O=C(C1CC1)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096078131 473290278 /nfs/dbraw/zinc/29/02/78/473290278.db2.gz BIBVQUXFQQOIPT-KRWDZBQOSA-N 1 0 335.398 2.551 40 0 EFABRO Cc1oncc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000096079737 473291028 /nfs/dbraw/zinc/29/10/28/473291028.db2.gz VLWKTVRWVGWHTK-INIZCTEOSA-N 1 0 341.411 2.701 40 0 EFABRO Cc1nc[nH]c1CN1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC000096075290 473291840 /nfs/dbraw/zinc/29/18/40/473291840.db2.gz QWCNCHKBCAUZHI-UHFFFAOYSA-N 1 0 343.475 2.954 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000096081458 473293607 /nfs/dbraw/zinc/29/36/07/473293607.db2.gz SCQHZAKWAIGQMB-VQTJNVASSA-N 1 0 335.451 2.984 40 0 EFABRO c1cncc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096106717 473298205 /nfs/dbraw/zinc/29/82/05/473298205.db2.gz NAXCWEZNCSKOGL-GOSISDBHSA-N 1 0 325.412 2.679 40 0 EFABRO Cn1cc(C[NH+]2CCC3(C[C@H](OCC4CCCC4)CO3)CC2)cn1 ZINC000096106666 473298391 /nfs/dbraw/zinc/29/83/91/473298391.db2.gz ZKGSFRHLVCKPPD-SFHVURJKSA-N 1 0 333.476 2.750 40 0 EFABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)nc1 ZINC000096106887 473298573 /nfs/dbraw/zinc/29/85/73/473298573.db2.gz JPJDTZVTHUVDDT-IBGZPJMESA-N 1 0 339.439 2.817 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107354 473300779 /nfs/dbraw/zinc/30/07/79/473300779.db2.gz QGRUYJMKIMAUHQ-QUCCMNQESA-N 1 0 339.439 2.988 40 0 EFABRO Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096107034 473300796 /nfs/dbraw/zinc/30/07/96/473300796.db2.gz XUYYCTFITFVBTO-MRXNPFEDSA-N 1 0 343.402 2.818 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)o1 ZINC000096107767 473300838 /nfs/dbraw/zinc/30/08/38/473300838.db2.gz TUWWBKHNUBEHGN-MOPGFXCFSA-N 1 0 328.412 2.933 40 0 EFABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096108947 473302030 /nfs/dbraw/zinc/30/20/30/473302030.db2.gz PJHBMDKCCPXVAJ-QZTJIDSGSA-N 1 0 330.453 2.808 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)o1 ZINC000096108987 473302090 /nfs/dbraw/zinc/30/20/90/473302090.db2.gz KHEIOPJXPSUZPQ-APWZRJJASA-N 1 0 328.412 2.648 40 0 EFABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc3ccccc3o1)CC[C@@H]2OC ZINC000096109411 473302323 /nfs/dbraw/zinc/30/23/23/473302323.db2.gz LAQBZIRNBGCPRA-UXLLHSPISA-N 1 0 328.412 2.614 40 0 EFABRO C[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185020914 473302697 /nfs/dbraw/zinc/30/26/97/473302697.db2.gz FGIWKPACTQNWSC-CQSZACIVSA-N 1 0 337.427 2.916 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1CCC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000096109994 473303320 /nfs/dbraw/zinc/30/33/20/473303320.db2.gz XMODVGQVNRRTLR-KRWDZBQOSA-N 1 0 344.411 2.703 40 0 EFABRO O=C(NCCc1ccccc1)[C@H]1CCC2(CC[NH+](CC3CC3)CC2)O1 ZINC000096110015 473303878 /nfs/dbraw/zinc/30/38/78/473303878.db2.gz FQBFYEYUIUKKAU-LJQANCHMSA-N 1 0 342.483 2.769 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3nccc(C)n3)C2)o1 ZINC000096110457 473304293 /nfs/dbraw/zinc/30/42/93/473304293.db2.gz PBUCZAOSOZFEKR-MJGOQNOKSA-N 1 0 343.427 2.746 40 0 EFABRO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000162250785 473320842 /nfs/dbraw/zinc/32/08/42/473320842.db2.gz YCTSGECCNXKDNE-CVEARBPZSA-N 1 0 330.476 2.989 40 0 EFABRO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CN1CCOCC1 ZINC000162250379 473321964 /nfs/dbraw/zinc/32/19/64/473321964.db2.gz YCTSGECCNXKDNE-JKSUJKDBSA-N 1 0 330.476 2.989 40 0 EFABRO Cn1cc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2cccnc2)cn1 ZINC000096182898 473324687 /nfs/dbraw/zinc/32/46/87/473324687.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 1 0 339.487 2.548 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)n1 ZINC000096184761 473326281 /nfs/dbraw/zinc/32/62/81/473326281.db2.gz BSMFJJHTCNAZND-ZWKOTPCHSA-N 1 0 341.480 2.869 40 0 EFABRO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)oc1C ZINC000096184586 473327239 /nfs/dbraw/zinc/32/72/39/473327239.db2.gz XUGIDWDTVORPDY-CVEARBPZSA-N 1 0 331.441 2.842 40 0 EFABRO Cc1ccc(CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)cc1 ZINC000096184463 473327330 /nfs/dbraw/zinc/32/73/30/473327330.db2.gz XBBXEGCSGJFIGH-VQTJNVASSA-N 1 0 342.483 2.639 40 0 EFABRO C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@@H]21 ZINC000096185514 473327557 /nfs/dbraw/zinc/32/75/57/473327557.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 1 0 347.484 2.705 40 0 EFABRO Cc1cccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)n1 ZINC000096185974 473327710 /nfs/dbraw/zinc/32/77/10/473327710.db2.gz ORQWHQHBUVGHJQ-AQNXPRMDSA-N 1 0 341.455 2.847 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)n1 ZINC000096187082 473328809 /nfs/dbraw/zinc/32/88/09/473328809.db2.gz DCXKWCXLCCUVGA-AABGKKOBSA-N 1 0 346.471 2.565 40 0 EFABRO O=C1C[C@@H](c2cccnc2)C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096199699 473335150 /nfs/dbraw/zinc/33/51/50/473335150.db2.gz OPGUDHMQGJAFRA-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO COCCO[C@@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096200150 473335187 /nfs/dbraw/zinc/33/51/87/473335187.db2.gz GCAWPFMUUQEESH-ZWKOTPCHSA-N 1 0 332.469 2.992 40 0 EFABRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cccs1)CC2 ZINC000096199534 473335379 /nfs/dbraw/zinc/33/53/79/473335379.db2.gz ASSFRCGHBXDTCR-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096199700 473336265 /nfs/dbraw/zinc/33/62/65/473336265.db2.gz OPGUDHMQGJAFRA-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@@H](C)c1ccccc1 ZINC000083231921 473336419 /nfs/dbraw/zinc/33/64/19/473336419.db2.gz MGBADACTJOFUTP-HZPDHXFCSA-N 1 0 333.476 2.589 40 0 EFABRO c1csc(C[N@@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)c1 ZINC000096202238 473337160 /nfs/dbraw/zinc/33/71/60/473337160.db2.gz FTCDNDGOQIJNQI-GOSISDBHSA-N 1 0 329.469 2.872 40 0 EFABRO Cc1cc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)oc1C ZINC000096202959 473339149 /nfs/dbraw/zinc/33/91/49/473339149.db2.gz TVWLMVHBZCMNEJ-UHFFFAOYSA-N 1 0 325.412 2.920 40 0 EFABRO c1cc(C[N@@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cs1 ZINC000096202240 473337757 /nfs/dbraw/zinc/33/77/57/473337757.db2.gz CFGUUHJPVMDXRR-GOSISDBHSA-N 1 0 329.469 2.872 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000096201716 473338035 /nfs/dbraw/zinc/33/80/35/473338035.db2.gz FUXMAAPHGDOITI-DNVCBOLYSA-N 1 0 325.412 2.545 40 0 EFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@H]2C ZINC000096201223 473338050 /nfs/dbraw/zinc/33/80/50/473338050.db2.gz ZIOQJJCCSAJNEC-AWEZNQCLSA-N 1 0 346.500 2.931 40 0 EFABRO c1csc(CN2CC[C@@]3(C2)COCC[N@H+](Cc2ccsc2)C3)n1 ZINC000096202203 473338099 /nfs/dbraw/zinc/33/80/99/473338099.db2.gz FAJDUCVBCFSHSG-KRWDZBQOSA-N 1 0 349.525 2.929 40 0 EFABRO Cc1nc(CN2CC[C@@]3(C2)COCC[N@H+](Cc2ccco2)C3)cs1 ZINC000096202116 473338448 /nfs/dbraw/zinc/33/84/48/473338448.db2.gz YYIRCKGTJBDCJA-SFHVURJKSA-N 1 0 347.484 2.769 40 0 EFABRO C[C@@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1cccs1)CC2 ZINC000096201557 473338584 /nfs/dbraw/zinc/33/85/84/473338584.db2.gz URGHEUUDQCTFMI-AWEZNQCLSA-N 1 0 334.485 2.740 40 0 EFABRO CC(C)[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCCc2cccs2)C1 ZINC000096206982 473343495 /nfs/dbraw/zinc/34/34/95/473343495.db2.gz OCTAPIZKLXIKJI-OIISXLGYSA-N 1 0 336.501 2.542 40 0 EFABRO CCOc1cccc(C(=O)N2CCC3(C[C@H](COC)[N@H+](C)C3)CC2)c1 ZINC000096207542 473343615 /nfs/dbraw/zinc/34/36/15/473343615.db2.gz ZTYHUPZHMLUIGN-QGZVFWFLSA-N 1 0 346.471 2.658 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096200853 473339429 /nfs/dbraw/zinc/33/94/29/473339429.db2.gz FTEGCJLOZUUKQU-MOPGFXCFSA-N 1 0 341.430 2.537 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]21)Nc1cccnc1 ZINC000096206089 473340331 /nfs/dbraw/zinc/34/03/31/473340331.db2.gz CUKHGCKCZVTSGI-OLMNPRSZSA-N 1 0 341.411 2.540 40 0 EFABRO C[NH+](C)C[C@H]1CCC[C@]2(CCN(C(=O)CCOc3ccccc3)C2)O1 ZINC000096208054 473341799 /nfs/dbraw/zinc/34/17/99/473341799.db2.gz PWINZTNAUZRXBP-UYAOXDASSA-N 1 0 346.471 2.557 40 0 EFABRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733910 473342207 /nfs/dbraw/zinc/34/22/07/473342207.db2.gz YNIJSHOWINIBGF-IEBWSBKVSA-N 1 0 344.842 2.924 40 0 EFABRO c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096207530 473342371 /nfs/dbraw/zinc/34/23/71/473342371.db2.gz XGVBKIDXLFSYHG-QUCCMNQESA-N 1 0 338.455 2.960 40 0 EFABRO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2O1)NCc1ccco1 ZINC000096208074 473342519 /nfs/dbraw/zinc/34/25/19/473342519.db2.gz SPJOIQNLNWSBCH-JLJPHGGASA-N 1 0 346.452 2.637 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21)NCC1CC1 ZINC000096208290 473344120 /nfs/dbraw/zinc/34/41/20/473344120.db2.gz SACSRSGMTCBSHS-ZACQAIPSSA-N 1 0 334.485 2.501 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@@H]12)NCc1cccs1 ZINC000096209266 473344501 /nfs/dbraw/zinc/34/45/01/473344501.db2.gz AKGKPJKZWHJWPF-DJIMGWMZSA-N 1 0 334.485 2.501 40 0 EFABRO COC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@@H+]1CC1CC1 ZINC000096209084 473344677 /nfs/dbraw/zinc/34/46/77/473344677.db2.gz MIWPQKUKSFPQHC-KRWDZBQOSA-N 1 0 346.471 2.704 40 0 EFABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]21)Nc1cccnc1 ZINC000096209282 473344754 /nfs/dbraw/zinc/34/47/54/473344754.db2.gz CUKHGCKCZVTSGI-ZTFGCOKTSA-N 1 0 341.411 2.540 40 0 EFABRO c1csc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CN2CCOCC2)O3)c1 ZINC000096209526 473345362 /nfs/dbraw/zinc/34/53/62/473345362.db2.gz AXDLWAAJHKDVQF-FUHWJXTLSA-N 1 0 336.501 2.594 40 0 EFABRO CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)O1 ZINC000096208326 473345603 /nfs/dbraw/zinc/34/56/03/473345603.db2.gz ITZGCKDUCNAKIO-RHSMWYFYSA-N 1 0 337.489 2.533 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)N4CCCC4)O[C@@H]3C2)s1 ZINC000096217586 473349379 /nfs/dbraw/zinc/34/93/79/473349379.db2.gz XAOUHCKTJDFTAA-YQQAZPJKSA-N 1 0 334.485 2.658 40 0 EFABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000096216646 473349502 /nfs/dbraw/zinc/34/95/02/473349502.db2.gz XRYRVQAQANXRSG-PZJWPPBQSA-N 1 0 338.451 2.880 40 0 EFABRO O=C(N[C@@H]1COCCC12CC[NH+](CC1CC1)CC2)c1ccccc1 ZINC000096217208 473349672 /nfs/dbraw/zinc/34/96/72/473349672.db2.gz OATCGTZVQHTCAZ-GOSISDBHSA-N 1 0 328.456 2.698 40 0 EFABRO CC(C)C(=O)N[C@@H]1COC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC000096220697 473353619 /nfs/dbraw/zinc/35/36/19/473353619.db2.gz BZTJUOMHXRBHFO-SFHVURJKSA-N 1 0 330.472 2.625 40 0 EFABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1OC)C2 ZINC000096217987 473350024 /nfs/dbraw/zinc/35/00/24/473350024.db2.gz DSUZRTPKOLTACE-FPOVZHCZSA-N 1 0 344.499 2.876 40 0 EFABRO O=C([C@@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1)N1CCCO1 ZINC000096216630 473350480 /nfs/dbraw/zinc/35/04/80/473350480.db2.gz VLJANECSAJWXQK-KRWDZBQOSA-N 1 0 348.418 2.503 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000096219596 473351182 /nfs/dbraw/zinc/35/11/82/473351182.db2.gz BSMISWUCEVVFHF-BBRMVZONSA-N 1 0 334.420 2.523 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096219039 473351207 /nfs/dbraw/zinc/35/12/07/473351207.db2.gz KNKFMFCBSKUHJW-YJBOKZPZSA-N 1 0 328.416 2.532 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)o1 ZINC000096219408 473352130 /nfs/dbraw/zinc/35/21/30/473352130.db2.gz UMZSEYLAVKGXKF-QRQLOZEOSA-N 1 0 346.471 2.828 40 0 EFABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096219655 473352185 /nfs/dbraw/zinc/35/21/85/473352185.db2.gz FLEVCERPNJKUPS-WMZOPIPTSA-N 1 0 346.381 2.600 40 0 EFABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)/C=C/c3cccs3)C2)C1 ZINC000096219857 473353591 /nfs/dbraw/zinc/35/35/91/473353591.db2.gz WFOUFZBOGCHYEN-YOBDTOFLSA-N 1 0 334.485 2.578 40 0 EFABRO Cc1nnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](C)C3)CC2)s1 ZINC000096220785 473354060 /nfs/dbraw/zinc/35/40/60/473354060.db2.gz HVHZKCOPSHQRFX-HNNXBMFYSA-N 1 0 336.505 2.564 40 0 EFABRO O=C(c1ccccc1F)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096220777 473354379 /nfs/dbraw/zinc/35/43/79/473354379.db2.gz FXZFFOFKAUCCCL-OAHLLOKOSA-N 1 0 332.419 2.685 40 0 EFABRO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccsc4)C[C@H]23)cn1 ZINC000096220346 473354499 /nfs/dbraw/zinc/35/44/99/473354499.db2.gz DQDOMQQXFAIZKO-CGTJXYLNSA-N 1 0 330.453 2.977 40 0 EFABRO CC[N@H+](C)[C@H]1COC2(C1)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096220807 473354624 /nfs/dbraw/zinc/35/46/24/473354624.db2.gz SGPLQSCZUYAFIX-QGZVFWFLSA-N 1 0 341.455 2.883 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096219774 473354638 /nfs/dbraw/zinc/35/46/38/473354638.db2.gz WDNLJTAXRWXEAW-MAUKXSAKSA-N 1 0 344.484 2.716 40 0 EFABRO O=C(N[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2)c1cccs1 ZINC000096221212 473354660 /nfs/dbraw/zinc/35/46/60/473354660.db2.gz BKTROAXCZBJBPD-AWEZNQCLSA-N 1 0 346.452 2.895 40 0 EFABRO Fc1cccnc1N[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096223000 473354883 /nfs/dbraw/zinc/35/48/83/473354883.db2.gz QPMYOHBLITWRLZ-LPHOPBHVSA-N 1 0 342.418 2.851 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000096223257 473355990 /nfs/dbraw/zinc/35/59/90/473355990.db2.gz XJWCKTVSHCYCHU-HKUYNNGSSA-N 1 0 342.418 2.851 40 0 EFABRO O=C1CCC2(CCC([NH2+][C@H]3CCOC3)CC2)N1Cc1ccccc1 ZINC000096228612 473358389 /nfs/dbraw/zinc/35/83/89/473358389.db2.gz VHSAMBCWPIFZLT-FDYSRKEFSA-N 1 0 328.456 2.869 40 0 EFABRO c1cc(C[NH+]2CCC3(CC2)COCCN(c2cccnc2)C3)co1 ZINC000096239968 473362755 /nfs/dbraw/zinc/36/27/55/473362755.db2.gz OJKYOVNTELFMIE-UHFFFAOYSA-N 1 0 327.428 2.794 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)s1 ZINC000096245109 473362967 /nfs/dbraw/zinc/36/29/67/473362967.db2.gz KKEFIUOLHJGVPJ-BBRMVZONSA-N 1 0 347.509 2.912 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000096229122 473358470 /nfs/dbraw/zinc/35/84/70/473358470.db2.gz SYCVCOTZZULENO-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO O=C(Cc1ccccc1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228808 473358739 /nfs/dbraw/zinc/35/87/39/473358739.db2.gz ZIVOKYVJXHCLKQ-NRFANRHFSA-N 1 0 342.483 2.580 40 0 EFABRO CC[NH+]1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2CC(C)C ZINC000096230375 473359662 /nfs/dbraw/zinc/35/96/62/473359662.db2.gz VILKLKXKQKECMV-UHFFFAOYSA-N 1 0 344.503 2.549 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239048 473360455 /nfs/dbraw/zinc/36/04/55/473360455.db2.gz RSBVLUVIUNHMQM-LJQANCHMSA-N 1 0 343.377 2.989 40 0 EFABRO Cc1noc(C)c1CN1C[C@]2(CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000096239402 473362208 /nfs/dbraw/zinc/36/22/08/473362208.db2.gz RBRAMJDCPQANCJ-HXUWFJFHSA-N 1 0 339.439 2.916 40 0 EFABRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096251718 473363798 /nfs/dbraw/zinc/36/37/98/473363798.db2.gz FVFDTCJLWDXWOQ-FHWLQOOXSA-N 1 0 336.439 2.623 40 0 EFABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccno3)C[C@@H]21 ZINC000096251699 473364300 /nfs/dbraw/zinc/36/43/00/473364300.db2.gz BMOHFIFNHQVIBC-BQFCYCMXSA-N 1 0 325.412 2.925 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)n1 ZINC000096249432 473364766 /nfs/dbraw/zinc/36/47/66/473364766.db2.gz SVYFEFFWIBHZCO-VQTJNVASSA-N 1 0 338.455 2.655 40 0 EFABRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cn1 ZINC000096255272 473365811 /nfs/dbraw/zinc/36/58/11/473365811.db2.gz DKFNXGZVZCNAFU-UHFFFAOYSA-N 1 0 337.402 2.617 40 0 EFABRO Cc1ccc(CN2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)s1 ZINC000096255901 473366230 /nfs/dbraw/zinc/36/62/30/473366230.db2.gz PKJXVUUFYSWYHL-UHFFFAOYSA-N 1 0 330.501 2.944 40 0 EFABRO CC[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC(C)C)nc2CC1 ZINC000096260543 473368009 /nfs/dbraw/zinc/36/80/09/473368009.db2.gz GXTGNCVTPIKCHJ-UHFFFAOYSA-N 1 0 344.503 2.806 40 0 EFABRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)N=C1C ZINC000096261429 473369307 /nfs/dbraw/zinc/36/93/07/473369307.db2.gz NJBTZOQSVHYHNO-HHXXYDBFSA-N 1 0 329.419 2.687 40 0 EFABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4c(C)noc4C)C[C@@H]32)C(=O)N1CC ZINC000096261601 473370023 /nfs/dbraw/zinc/37/00/23/473370023.db2.gz UUUCXVDIEAPACI-SIXWZSSISA-N 1 0 344.459 2.543 40 0 EFABRO FC(F)(F)Oc1cccc(C[NH2+]Cc2ccc(-n3cncn3)nc2)c1 ZINC000096403755 473380538 /nfs/dbraw/zinc/38/05/38/473380538.db2.gz AKPLTARZXPTHMG-UHFFFAOYSA-N 1 0 349.316 2.851 40 0 EFABRO Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000096403559 473379767 /nfs/dbraw/zinc/37/97/67/473379767.db2.gz UPAXSOGRAIZYAR-AWEZNQCLSA-N 1 0 347.484 2.715 40 0 EFABRO CCOC(=O)Nc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000096404171 473380012 /nfs/dbraw/zinc/38/00/12/473380012.db2.gz WITMHNFXCVBMCE-INIZCTEOSA-N 1 0 346.431 2.957 40 0 EFABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000096405503 473383116 /nfs/dbraw/zinc/38/31/16/473383116.db2.gz ZXAUDALVQBWXRU-RTBURBONSA-N 1 0 342.483 2.941 40 0 EFABRO CC1CCC([NH+]2CCN(C[C@@H](O)COCc3ccccc3)CC2)CC1 ZINC000096406752 473383728 /nfs/dbraw/zinc/38/37/28/473383728.db2.gz BVZXEWBQVVURCM-DQVLVPHSSA-N 1 0 346.515 2.760 40 0 EFABRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)nn1C ZINC000096408499 473386779 /nfs/dbraw/zinc/38/67/79/473386779.db2.gz NSKZLUJLWOLUHE-UHFFFAOYSA-N 1 0 336.823 2.575 40 0 EFABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000096405501 473382533 /nfs/dbraw/zinc/38/25/33/473382533.db2.gz ZXAUDALVQBWXRU-MOPGFXCFSA-N 1 0 342.483 2.941 40 0 EFABRO COC(=O)[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000096410417 473389053 /nfs/dbraw/zinc/38/90/53/473389053.db2.gz XGWJBLVXCUUAEP-LJQANCHMSA-N 1 0 339.439 2.550 40 0 EFABRO O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171452103 473391143 /nfs/dbraw/zinc/39/11/43/473391143.db2.gz MZTFBHVVPOAGFP-INIZCTEOSA-N 1 0 331.847 2.991 40 0 EFABRO CCCCS[C@H](C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096412693 473391349 /nfs/dbraw/zinc/39/13/49/473391349.db2.gz HVKHWXPFNAUADR-CABCVRRESA-N 1 0 328.522 2.525 40 0 EFABRO CCn1c(C)[n+](C[C@@H](O)COc2ccccc2OC)c2ccccc21 ZINC000000089077 471321596 /nfs/dbraw/zinc/32/15/96/471321596.db2.gz MMBNDMSPWLTNHC-MRXNPFEDSA-N 1 0 341.431 2.706 40 0 EFABRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000000166996 471329901 /nfs/dbraw/zinc/32/99/01/471329901.db2.gz OXXHXPODIXKWPP-GOEBONIOSA-N 1 0 331.412 2.794 40 0 EFABRO C[N@@H+]1CCC[C@H](COC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000177942 471331329 /nfs/dbraw/zinc/33/13/29/471331329.db2.gz BIMNSIZSDYSRHF-KRWDZBQOSA-N 1 0 339.435 2.808 40 0 EFABRO CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000000417999 471357131 /nfs/dbraw/zinc/35/71/31/471357131.db2.gz LYJYXYCDOGNDNG-UHFFFAOYSA-N 1 0 345.472 2.560 40 0 EFABRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C(=O)OCC ZINC000001563608 471393328 /nfs/dbraw/zinc/39/33/28/471393328.db2.gz JALPQYLINKUOPW-YHUYYLMFSA-N 1 0 325.449 2.820 40 0 EFABRO Cc1ccccc1C(O)(c1ccccc1C)C1(O)CC[NH+](C)CC1 ZINC000001871875 471399494 /nfs/dbraw/zinc/39/94/94/471399494.db2.gz DRFCSHWOTIKNRR-UHFFFAOYSA-N 1 0 325.452 2.996 40 0 EFABRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000002391047 471407082 /nfs/dbraw/zinc/40/70/82/471407082.db2.gz IVLQGCHRBLYVPB-GUYCJALGSA-N 1 0 327.428 2.656 40 0 EFABRO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000002501705 471410089 /nfs/dbraw/zinc/41/00/89/471410089.db2.gz XSNMHHKCQGMGIY-DOTOQJQBSA-N 1 0 343.427 2.541 40 0 EFABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])[C@H](C)OC(C)(C)C)ccc12 ZINC000002560773 471411434 /nfs/dbraw/zinc/41/14/34/471411434.db2.gz QZLOQBPLCQEGDR-ZBEGNZNMSA-N 1 0 332.400 2.571 40 0 EFABRO CC[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12 ZINC000005105924 471487194 /nfs/dbraw/zinc/48/71/94/471487194.db2.gz WSOBKSJSQFYBNR-UYVJDWJCSA-N 1 0 342.439 2.636 40 0 EFABRO COC(=O)C1=CO[C@@H](C)[C@H]2C[n+]3ccc4c5ccccc5[nH]c4c3C[C@H]12 ZINC000005752353 471520310 /nfs/dbraw/zinc/52/03/10/471520310.db2.gz WYTGDNHDOZPMIW-VBNZEHGJSA-O 1 0 349.410 2.873 40 0 in-vitro EFABRO COc1ccc(COC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000006008119 471529406 /nfs/dbraw/zinc/52/94/06/471529406.db2.gz PDGLJUZHLDWIOM-HLLBOEOZSA-N 1 0 337.460 2.559 40 0 EFABRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CCOc1ccccc1 ZINC000007685344 471629580 /nfs/dbraw/zinc/62/95/80/471629580.db2.gz XFYMBKYRZNNFGS-OAHLLOKOSA-N 1 0 347.459 2.544 40 0 EFABRO CCOc1cc(C[NH2+]CCOC)cc(Br)c1OCC ZINC000008253830 471674980 /nfs/dbraw/zinc/67/49/80/471674980.db2.gz KIWQOYICLJAWMF-UHFFFAOYSA-N 1 0 332.238 2.983 40 0 EFABRO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCC ZINC000008253839 471675412 /nfs/dbraw/zinc/67/54/12/471675412.db2.gz QVTUJZMEQAQBMQ-SNVBAGLBSA-N 1 0 332.238 2.717 40 0 EFABRO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1F ZINC000008267188 471676369 /nfs/dbraw/zinc/67/63/69/471676369.db2.gz XWUQWDSRQZOLTG-ZIAGYGMSSA-N 1 0 333.407 2.986 40 0 EFABRO CC[NH+](CC)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1Cl ZINC000008852371 471706340 /nfs/dbraw/zinc/70/63/40/471706340.db2.gz IHEFZZHXPGXKNZ-AWEZNQCLSA-N 1 0 345.838 2.668 40 0 EFABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1C ZINC000012122717 471765406 /nfs/dbraw/zinc/76/54/06/471765406.db2.gz WAHHXKPALOPPPJ-UHFFFAOYSA-N 1 0 349.438 2.758 40 0 EFABRO COc1cc(C[N@@H+]2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)ccc1O ZINC000012188235 471767687 /nfs/dbraw/zinc/76/76/87/471767687.db2.gz FLSZSISCYPYCPU-SJORKVTESA-N 1 0 346.471 2.870 40 0 EFABRO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC000012183101 471768087 /nfs/dbraw/zinc/76/80/87/471768087.db2.gz QHZFOGDNLITSDF-HNNXBMFYSA-N 1 0 338.455 2.565 40 0 EFABRO CCCn1nc2nc(N3CC[NH2+]CC3)cc(C(F)(F)F)c2c1C ZINC000012398894 471774878 /nfs/dbraw/zinc/77/48/78/471774878.db2.gz OQCLIVUEVOGQAO-UHFFFAOYSA-N 1 0 327.354 2.578 40 0 EFABRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnccn2)CC1 ZINC000012533346 471779263 /nfs/dbraw/zinc/77/92/63/471779263.db2.gz JNGLGBFJYXHIOF-UHFFFAOYSA-N 1 0 345.834 2.524 40 0 EFABRO CC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602049 471785354 /nfs/dbraw/zinc/78/53/54/471785354.db2.gz RERIKOIGDPEYAL-KSZLIROESA-N 1 0 344.503 2.782 40 0 biogenic,in-vitro EFABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cccs1 ZINC000013008529 471812206 /nfs/dbraw/zinc/81/22/06/471812206.db2.gz BQMWCJAIKLYKQD-UHFFFAOYSA-N 1 0 336.482 2.822 40 0 EFABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000013668881 471837416 /nfs/dbraw/zinc/83/74/16/471837416.db2.gz KVIQNNZWNKOGLJ-GOSISDBHSA-N 1 0 334.460 2.845 40 0 EFABRO Cc1cccc2cc(C[NH2+]Cc3ccc4c(c3)OCCO4)c(=O)[nH]c12 ZINC000013998962 471846479 /nfs/dbraw/zinc/84/64/79/471846479.db2.gz KCEARBLNTRJCIE-UHFFFAOYSA-N 1 0 336.391 2.898 40 0 EFABRO Fc1cccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000013989965 471847152 /nfs/dbraw/zinc/84/71/52/471847152.db2.gz ALNIBTDFFUTBTP-UHFFFAOYSA-N 1 0 343.446 2.945 40 0 EFABRO Cc1cccc(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)c1C ZINC000016779367 471949732 /nfs/dbraw/zinc/94/97/32/471949732.db2.gz GJJXZNMFSGVZOB-LJQANCHMSA-N 1 0 329.440 2.538 40 0 EFABRO C[NH+]1CCC(NC(=S)Nc2cccc(Br)c2)CC1 ZINC000016943681 471951959 /nfs/dbraw/zinc/95/19/59/471951959.db2.gz OYWLENRDXJZIDB-UHFFFAOYSA-N 1 0 328.279 2.830 40 0 EFABRO Cc1ccc([C@H](O)CN2CCO[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000019132527 471977636 /nfs/dbraw/zinc/97/76/36/471977636.db2.gz BOPTVRBZIJZKMO-AZUAARDMSA-N 1 0 332.488 2.524 40 0 EFABRO CC(C)n1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000019575995 471981126 /nfs/dbraw/zinc/98/11/26/471981126.db2.gz JXEUDKUXUWNLLD-RYQLBKOJSA-N 1 0 327.472 2.862 40 0 EFABRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019588520 471981184 /nfs/dbraw/zinc/98/11/84/471981184.db2.gz OAFSVYGDWGIPFC-HNNXBMFYSA-N 1 0 347.422 2.516 40 0 EFABRO Cc1cc(C)n(C[C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000019573649 471981977 /nfs/dbraw/zinc/98/19/77/471981977.db2.gz BGOAWUGSHNHXBH-QFBILLFUSA-N 1 0 340.471 2.842 40 0 EFABRO CCCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696499 471982674 /nfs/dbraw/zinc/98/26/74/471982674.db2.gz FMPLVOJZLUOPFR-LJQANCHMSA-N 1 0 327.428 2.841 40 0 EFABRO COc1cc(C)ccc1OCC(=O)N1CCCCC[C@H]2[NH2+]CC[C@@H]21 ZINC000019712335 471982731 /nfs/dbraw/zinc/98/27/31/471982731.db2.gz YQFXDCAFZPWOKL-CVEARBPZSA-N 1 0 332.444 2.516 40 0 EFABRO CNc1cc(CN(C)C(=O)CC2CCCC2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709700 471982896 /nfs/dbraw/zinc/98/28/96/471982896.db2.gz NEJMQXCNESHQFS-HNNXBMFYSA-N 1 0 345.491 2.524 40 0 EFABRO CC1=C(CC[N@H+]2Cc3cn(C)nc3[C@@H](C(N)=O)C2)C(C)(C)CCC1 ZINC000019701182 471983442 /nfs/dbraw/zinc/98/34/42/471983442.db2.gz DSDAZHOSYJAIGQ-HNNXBMFYSA-N 1 0 330.476 2.721 40 0 EFABRO CCN(CC(=O)Nc1cc(C)on1)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019703911 471983629 /nfs/dbraw/zinc/98/36/29/471983629.db2.gz XDVXECDJDBRQGW-OAHLLOKOSA-N 1 0 334.464 2.650 40 0 EFABRO COc1ccc(CCO[C@H]2CCCC[C@H]2[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000034434082 471990497 /nfs/dbraw/zinc/99/04/97/471990497.db2.gz VBHQKCBVWWUUKN-KURKYZTESA-N 1 0 349.471 2.641 40 0 EFABRO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000020680735 471993086 /nfs/dbraw/zinc/99/30/86/471993086.db2.gz WFADLTDLKZGSOQ-DOFAYWRZSA-N 1 0 347.503 2.901 40 0 EFABRO C[C@H](O)C[NH2+]CCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000022075060 472009843 /nfs/dbraw/zinc/00/98/43/472009843.db2.gz VBCQRLHVCCOGJE-HNNXBMFYSA-N 1 0 348.874 2.979 40 0 EFABRO C[C@@H](O)C[NH2+]CCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000022075479 472010220 /nfs/dbraw/zinc/01/02/20/472010220.db2.gz PUNBLGOYAQNGEQ-OAHLLOKOSA-N 1 0 348.874 2.979 40 0 EFABRO C[C@@H](O)C[NH2+]CCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022075452 472010345 /nfs/dbraw/zinc/01/03/45/472010345.db2.gz YUFOQNSEIZGYIY-OAHLLOKOSA-N 1 0 348.874 2.979 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000024858081 472070381 /nfs/dbraw/zinc/07/03/81/472070381.db2.gz PTAILYAWPBNWSI-UHFFFAOYSA-N 1 0 327.428 2.820 40 0 EFABRO O=C(NCc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025052825 472079230 /nfs/dbraw/zinc/07/92/30/472079230.db2.gz GDVPHGCKXFFIJK-UHFFFAOYSA-N 1 0 331.460 2.521 40 0 EFABRO COc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc(OC)c1OC ZINC000025407718 472094678 /nfs/dbraw/zinc/09/46/78/472094678.db2.gz KBMWUPWYQFAOJG-ZDUSSCGKSA-N 1 0 336.432 2.915 40 0 EFABRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC000025739078 472109631 /nfs/dbraw/zinc/10/96/31/472109631.db2.gz ZHPOJKGUNYATCZ-UHFFFAOYSA-N 1 0 343.402 2.838 40 0 EFABRO C[NH+]1CCN(c2ncnc3sc(Nc4ccccc4)nc32)CC1 ZINC000026897291 472154147 /nfs/dbraw/zinc/15/41/47/472154147.db2.gz VSBQTUMBNUNEDL-UHFFFAOYSA-N 1 0 326.429 2.582 40 0 EFABRO Cc1cc(C)cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000042646337 472154134 /nfs/dbraw/zinc/15/41/34/472154134.db2.gz KYNJROYEFDZRKQ-UHFFFAOYSA-N 1 0 331.460 2.667 40 0 EFABRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000055377815 472175911 /nfs/dbraw/zinc/17/59/11/472175911.db2.gz HEFAQUJGOKMAPG-AWEZNQCLSA-N 1 0 332.492 2.977 40 0 EFABRO Cc1ccc(C)c([C@H](O)CN2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000075752420 472194817 /nfs/dbraw/zinc/19/48/17/472194817.db2.gz QDKMBIJEGYONPZ-HXUWFJFHSA-N 1 0 332.488 2.524 40 0 EFABRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)c1 ZINC000075838978 472205780 /nfs/dbraw/zinc/20/57/80/472205780.db2.gz OBQXZGQUEKLGRG-LJQANCHMSA-N 1 0 338.455 2.601 40 0 EFABRO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220957 472217122 /nfs/dbraw/zinc/21/71/22/472217122.db2.gz JTRSLFFZYOZOII-RDJZCZTQSA-N 1 0 336.863 2.847 40 0 EFABRO O=C(NCCc1cccs1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043310115 472222407 /nfs/dbraw/zinc/22/24/07/472222407.db2.gz MFMFPLWSQDRYIA-UHFFFAOYSA-N 1 0 344.484 2.649 40 0 EFABRO COc1ccccc1NC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000084881164 472224358 /nfs/dbraw/zinc/22/43/58/472224358.db2.gz MCNQETLSORNZRO-UHFFFAOYSA-N 1 0 331.460 2.584 40 0 EFABRO O=C(C[NH+]1CCC(CO)CC1)N(Cc1ccccc1Cl)C1CC1 ZINC000085332584 472237190 /nfs/dbraw/zinc/23/71/90/472237190.db2.gz WGTDXIKTGOPKLF-UHFFFAOYSA-N 1 0 336.863 2.535 40 0 EFABRO COc1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)cc1Br ZINC000028926619 472243727 /nfs/dbraw/zinc/24/37/27/472243727.db2.gz YCZVYRUFPRGWNS-UHFFFAOYSA-N 1 0 349.228 2.846 40 0 EFABRO C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000085457822 472250286 /nfs/dbraw/zinc/25/02/86/472250286.db2.gz OORQTFXGOOOKQX-XYJFISCASA-N 1 0 346.471 2.558 40 0 EFABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000085468134 472251956 /nfs/dbraw/zinc/25/19/56/472251956.db2.gz GVZSAKIGLXLHSH-QGZVFWFLSA-N 1 0 335.536 2.831 40 0 EFABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000085468204 472252365 /nfs/dbraw/zinc/25/23/65/472252365.db2.gz DMLDHVYMILRXSZ-OAHLLOKOSA-N 1 0 349.906 2.828 40 0 EFABRO O=C(Cc1ccc(F)cc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473173 472253172 /nfs/dbraw/zinc/25/31/72/472253172.db2.gz YMVYKWKGBIFIHU-QGZVFWFLSA-N 1 0 336.476 2.798 40 0 EFABRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000085611714 472261124 /nfs/dbraw/zinc/26/11/24/472261124.db2.gz AWONDOVMGBCQSL-HSZRJFAPSA-N 1 0 343.468 2.615 40 0 EFABRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000085786551 472266729 /nfs/dbraw/zinc/26/67/29/472266729.db2.gz XQDRJLYGENAHLF-DZGCQCFKSA-N 1 0 328.503 2.557 40 0 EFABRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889921 472347682 /nfs/dbraw/zinc/34/76/82/472347682.db2.gz QRHFJKHGFIPJSN-GOSISDBHSA-N 1 0 349.434 2.576 40 0 EFABRO C1CC2CCC1CN([C@@H]1CO[C@H]([NH+]3CC4CCC(CC4)C3)CO1)C2 ZINC000031688086 472388759 /nfs/dbraw/zinc/38/87/59/472388759.db2.gz KMYPMHHZMQKXPU-RZXUBOOQSA-N 1 0 334.504 2.929 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@H](C)c2nnc3ccccn32)CC1 ZINC000089136647 472390473 /nfs/dbraw/zinc/39/04/73/472390473.db2.gz SGDMZEGJDPKCSD-CQSZACIVSA-N 1 0 345.447 2.637 40 0 EFABRO COCCC(=O)N1CCC([NH2+]C2CC(c3cccc(C)c3)C2)CC1 ZINC000154257007 472407605 /nfs/dbraw/zinc/40/76/05/472407605.db2.gz QBDOLRBZEUFSKQ-UHFFFAOYSA-N 1 0 330.472 2.858 40 0 EFABRO Cc1cccc(C2CC([NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)C2)c1 ZINC000154258034 472407764 /nfs/dbraw/zinc/40/77/64/472407764.db2.gz YQDPQYCWHFFGTO-UHFFFAOYSA-N 1 0 348.512 2.787 40 0 EFABRO O=C(Cc1ccc(F)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398865 472429007 /nfs/dbraw/zinc/42/90/07/472429007.db2.gz MQTPIZAWLCQSNK-UHFFFAOYSA-N 1 0 326.415 2.933 40 0 EFABRO CC[NH+](CC)CCNC(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000032502471 472441698 /nfs/dbraw/zinc/44/16/98/472441698.db2.gz LZRSEJJKOJUNBP-UHFFFAOYSA-N 1 0 344.459 2.608 40 0 EFABRO COC1(C[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)CCOCC1 ZINC000097095365 472443141 /nfs/dbraw/zinc/44/31/41/472443141.db2.gz OUJPJRPDTADOFI-PKOBYXMFSA-N 1 0 332.488 2.682 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(F)c1 ZINC000032729482 472459993 /nfs/dbraw/zinc/45/99/93/472459993.db2.gz KETHDPXFSGAIKF-FUHWJXTLSA-N 1 0 328.387 2.548 40 0 EFABRO CN(C)c1ncc(CN2CCCC[C@@H]2CC[NH+]2CCCCC2)cn1 ZINC000057823258 472478859 /nfs/dbraw/zinc/47/88/59/472478859.db2.gz ZRBZSAHFBHBGEV-GOSISDBHSA-N 1 0 331.508 2.773 40 0 EFABRO Cc1cc(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000097237532 472486249 /nfs/dbraw/zinc/48/62/49/472486249.db2.gz WGOWRHXZCKFLCB-OAHLLOKOSA-N 1 0 336.863 2.940 40 0 EFABRO CC[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CCO1 ZINC000097236255 472486301 /nfs/dbraw/zinc/48/63/01/472486301.db2.gz FYBWMCVRSYFLOX-CEXWTWQISA-N 1 0 330.472 2.972 40 0 EFABRO Cc1occc1-c1cc(NC2CC[NH+](C(C)C)CC2)n(CCO)n1 ZINC000097238328 472486622 /nfs/dbraw/zinc/48/66/22/472486622.db2.gz LQYGNEZULSCVMX-UHFFFAOYSA-N 1 0 332.448 2.729 40 0 EFABRO CCOc1c(Br)cc(CNCCC[NH+](C)C)cc1OC ZINC000057901343 472489722 /nfs/dbraw/zinc/48/97/22/472489722.db2.gz NRBGGLQWDXDFSQ-UHFFFAOYSA-N 1 0 345.281 2.898 40 0 EFABRO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000128755244 472492134 /nfs/dbraw/zinc/49/21/34/472492134.db2.gz DRWYINRMNGGMMU-HOTGVXAUSA-N 1 0 326.448 2.960 40 0 EFABRO COC(=O)c1cc([C@H](O)C[NH2+][C@H](C)CCc2ccccc2)ccc1O ZINC000077301694 472497054 /nfs/dbraw/zinc/49/70/54/472497054.db2.gz HDMYIQYFFYISIP-AUUYWEPGSA-N 1 0 343.423 2.823 40 0 in-vitro EFABRO CC[N@H+](CCOc1ccc2c(C)cc(=O)oc2c1)C[C@@H]1CCOC1 ZINC000077314572 472499973 /nfs/dbraw/zinc/49/99/73/472499973.db2.gz GGKLOKXPHAXLHZ-HNNXBMFYSA-N 1 0 331.412 2.839 40 0 EFABRO Cc1nc(-c2cccc(CNC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897661 472538176 /nfs/dbraw/zinc/53/81/76/472538176.db2.gz QKUKMWDIVDITBL-IHRRRGAJSA-N 1 0 341.459 2.658 40 0 EFABRO Cc1nc(-c2cccc(CNC(=O)[C@@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897660 472538188 /nfs/dbraw/zinc/53/81/88/472538188.db2.gz QKUKMWDIVDITBL-MELADBBJSA-N 1 0 341.459 2.658 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCCCc2nc3ccccc3s2)C1 ZINC000129401978 472541739 /nfs/dbraw/zinc/54/17/39/472541739.db2.gz CIGIELOVKMNOHD-CQSZACIVSA-N 1 0 346.500 2.822 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000155499024 472558482 /nfs/dbraw/zinc/55/84/82/472558482.db2.gz YXHFAUNOLWEAIU-SFHVURJKSA-N 1 0 338.455 2.542 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000090227106 472609892 /nfs/dbraw/zinc/60/98/92/472609892.db2.gz SZPDFBOGNILWTR-IBGZPJMESA-N 1 0 339.487 2.718 40 0 EFABRO Cc1nc2n(n1)CCC[C@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000090227108 472610159 /nfs/dbraw/zinc/61/01/59/472610159.db2.gz SZPDFBOGNILWTR-LJQANCHMSA-N 1 0 339.487 2.718 40 0 EFABRO C[NH+]1CCN(c2ncccc2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000072216579 472634110 /nfs/dbraw/zinc/63/41/10/472634110.db2.gz XOXAKEPNDMRDLQ-MRXNPFEDSA-N 1 0 346.475 2.905 40 0 EFABRO CC[C@H]([NH3+])c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000072222619 472634546 /nfs/dbraw/zinc/63/45/46/472634546.db2.gz NDZSXXPIYFKCGQ-HNNXBMFYSA-N 1 0 334.464 2.857 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCC[NH2+]3)cn2)CC1 ZINC000072216385 472635220 /nfs/dbraw/zinc/63/52/20/472635220.db2.gz HYCVXABUFWOJAL-OAHLLOKOSA-N 1 0 332.448 2.563 40 0 EFABRO COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592549 472640872 /nfs/dbraw/zinc/64/08/72/472640872.db2.gz WJOLRJIIOVTNDJ-KGLIPLIRSA-N 1 0 342.361 2.825 40 0 EFABRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCOc1ncccc1C(F)(F)F ZINC000090605774 472641680 /nfs/dbraw/zinc/64/16/80/472641680.db2.gz LTSWMJONSOOGNZ-ZDUSSCGKSA-N 1 0 340.349 2.880 40 0 EFABRO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000047032947 472645655 /nfs/dbraw/zinc/64/56/55/472645655.db2.gz JHUWNPUQQDDCMH-GOSISDBHSA-N 1 0 348.443 2.941 40 0 EFABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(C(C)(C)C)n2)CC1 ZINC000072341132 472661735 /nfs/dbraw/zinc/66/17/35/472661735.db2.gz VSHWJYYWMXDQRG-UHFFFAOYSA-N 1 0 329.448 2.879 40 0 EFABRO COc1ccccc1[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC000072340971 472662150 /nfs/dbraw/zinc/66/21/50/472662150.db2.gz JILHQMTWRIDWPC-ZTNFWEORSA-N 1 0 341.455 2.548 40 0 EFABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358868 472663005 /nfs/dbraw/zinc/66/30/05/472663005.db2.gz WUSMHNQPJGMGGG-OAHLLOKOSA-N 1 0 342.418 2.550 40 0 EFABRO COc1ccc(/C=C/C(=O)NCCC2CC[NH+](C)CC2)cc1OC ZINC000156352091 472696040 /nfs/dbraw/zinc/69/60/40/472696040.db2.gz KYVJTYDZHZSLTM-FNORWQNLSA-N 1 0 332.444 2.565 40 0 EFABRO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@H+](C)CC1OCCO1 ZINC000061992826 472726960 /nfs/dbraw/zinc/72/69/60/472726960.db2.gz NXXCEAWRSOBYOT-MXHNKVEKSA-N 1 0 349.471 2.749 40 0 biogenic EFABRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000078572311 472735592 /nfs/dbraw/zinc/73/55/92/472735592.db2.gz PQAGBGPINKEMKJ-INIZCTEOSA-N 1 0 344.480 2.974 40 0 EFABRO CC[C@H](CO)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000091262462 472750760 /nfs/dbraw/zinc/75/07/60/472750760.db2.gz AOEBXVUWZUOOOL-CQSZACIVSA-N 1 0 341.293 2.774 40 0 EFABRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000047717340 472760023 /nfs/dbraw/zinc/76/00/23/472760023.db2.gz ICLAVARHRZCILB-LBPRGKRZSA-N 1 0 341.249 2.664 40 0 EFABRO NC(=O)N1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132964228 472766784 /nfs/dbraw/zinc/76/67/84/472766784.db2.gz CUHGXRWGBQZHPJ-CQSZACIVSA-N 1 0 342.365 2.611 40 0 EFABRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000091856738 472818789 /nfs/dbraw/zinc/81/87/89/472818789.db2.gz XYDVXPXUQXMDIL-LBPRGKRZSA-N 1 0 349.818 2.671 40 0 EFABRO N=CCC(=[NH2+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000064220239 472836607 /nfs/dbraw/zinc/83/66/07/472836607.db2.gz XEQKJSRCKSAIGG-UHFFFAOYSA-N 1 0 333.745 2.893 40 0 EFABRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619625 472840555 /nfs/dbraw/zinc/84/05/55/472840555.db2.gz PWEUTSDWPKNYIK-JKSUJKDBSA-N 1 0 345.487 2.540 40 0 EFABRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619617 472841208 /nfs/dbraw/zinc/84/12/08/472841208.db2.gz PWEUTSDWPKNYIK-HOTGVXAUSA-N 1 0 345.487 2.540 40 0 EFABRO CN1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000121372523 472843100 /nfs/dbraw/zinc/84/31/00/472843100.db2.gz VKRHWYHFCNXOQK-CVEARBPZSA-N 1 0 336.863 2.897 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743055 472866490 /nfs/dbraw/zinc/86/64/90/472866490.db2.gz DDHBTZLDQXTPIE-CYBMUJFWSA-N 1 0 344.242 2.532 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000073743041 472866516 /nfs/dbraw/zinc/86/65/16/472866516.db2.gz IOUWOMBISMTJLQ-NSHDSACASA-N 1 0 344.242 2.532 40 0 EFABRO Cn1cc(C[NH2+]C2CCC3(CC2)OCCO3)c(-c2ccccc2)n1 ZINC000157937563 472876011 /nfs/dbraw/zinc/87/60/11/472876011.db2.gz ZWUHWTZRYHUPOO-UHFFFAOYSA-N 1 0 327.428 2.862 40 0 EFABRO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000073849953 472887357 /nfs/dbraw/zinc/88/73/57/472887357.db2.gz YZOCCPZHJTZVMK-UHFFFAOYSA-N 1 0 337.895 2.719 40 0 EFABRO COc1cc(C[NH2+]Cc2cccc(OC)c2OC)cc2c1OCO2 ZINC000048751924 472907760 /nfs/dbraw/zinc/90/77/60/472907760.db2.gz LSEFWFGBCDOKCJ-UHFFFAOYSA-N 1 0 331.368 2.731 40 0 EFABRO OCc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1 ZINC000049170543 472933412 /nfs/dbraw/zinc/93/34/12/472933412.db2.gz VVCLLDWHNBJHQU-LBPRGKRZSA-N 1 0 343.358 2.951 40 0 biogenic,in-vitro EFABRO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000107207220 472933623 /nfs/dbraw/zinc/93/36/23/472933623.db2.gz LBHNCFCVDKDCJH-ZACQAIPSSA-N 1 0 343.452 2.904 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000107226087 472935208 /nfs/dbraw/zinc/93/52/08/472935208.db2.gz KNKFMFCBSKUHJW-CRAIPNDOSA-N 1 0 328.416 2.532 40 0 EFABRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000080079033 472972718 /nfs/dbraw/zinc/97/27/18/472972718.db2.gz TZRBKCWCHCMADT-OAHLLOKOSA-N 1 0 337.533 2.932 40 0 EFABRO O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065551657 472973703 /nfs/dbraw/zinc/97/37/03/472973703.db2.gz USIVHXFVVUGNDZ-XYDKVEKUSA-N 1 0 342.464 2.851 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCC3)C2)cn1 ZINC000107712528 472977239 /nfs/dbraw/zinc/97/72/39/472977239.db2.gz NPZVKGKWKHXSNQ-MOPGFXCFSA-N 1 0 333.476 2.608 40 0 EFABRO c1cncc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000107712187 472977398 /nfs/dbraw/zinc/97/73/98/472977398.db2.gz TUKOXHNVZJMZNW-PMACEKPBSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107730857 472978443 /nfs/dbraw/zinc/97/84/43/472978443.db2.gz IVEJELFOAQESEA-CRAIPNDOSA-N 1 0 328.416 2.614 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000107746846 472980499 /nfs/dbraw/zinc/98/04/99/472980499.db2.gz SQXOYEIHHGXUSK-MSOLQXFVSA-N 1 0 343.496 2.927 40 0 EFABRO c1coc(CN2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@@H]32)c1 ZINC000107804639 472982931 /nfs/dbraw/zinc/98/29/31/472982931.db2.gz GYJUAYDCOZWHPK-NZSAHSFTSA-N 1 0 328.412 2.871 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108525754 473034165 /nfs/dbraw/zinc/03/41/65/473034165.db2.gz GHPUNOUHEONLGO-FUHWJXTLSA-N 1 0 349.425 2.988 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000108531094 473035249 /nfs/dbraw/zinc/03/52/49/473035249.db2.gz BFHLDJFMYZFNKP-WMZOPIPTSA-N 1 0 349.425 2.988 40 0 EFABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccccn1)CC2)c1cccnc1 ZINC000108525977 473035874 /nfs/dbraw/zinc/03/58/74/473035874.db2.gz DWQJSYQSKNBQJE-UHFFFAOYSA-N 1 0 336.439 2.651 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC(NS(C)(=O)=O)C3)CC2)cc1C ZINC000108527365 473035942 /nfs/dbraw/zinc/03/59/42/473035942.db2.gz ALBRULDRRNRRMA-UHFFFAOYSA-N 1 0 336.501 2.597 40 0 EFABRO Cc1ccccc1C[NH+]1CCC2(CC(NS(=O)(=O)C3CC3)C2)CC1 ZINC000108529302 473036505 /nfs/dbraw/zinc/03/65/05/473036505.db2.gz KIJHGIBNUFNYKB-UHFFFAOYSA-N 1 0 348.512 2.821 40 0 EFABRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000109047932 473075490 /nfs/dbraw/zinc/07/54/90/473075490.db2.gz TXXIQJMGQHYJBI-MCIONIFRSA-N 1 0 333.432 2.903 40 0 EFABRO Cc1ccccc1O[C@@H](C)CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000075307296 473163831 /nfs/dbraw/zinc/16/38/31/473163831.db2.gz AHVPPEBNBUOZBB-INIZCTEOSA-N 1 0 333.476 2.746 40 0 EFABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 ZINC000110633350 473168141 /nfs/dbraw/zinc/16/81/41/473168141.db2.gz NJAUXFJJLLIZJE-JQWIXIFHSA-N 1 0 337.474 2.804 40 0 EFABRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cscn1 ZINC000075328206 473169224 /nfs/dbraw/zinc/16/92/24/473169224.db2.gz ZMFFVZNGKVEMEL-UHFFFAOYSA-N 1 0 346.456 2.546 40 0 EFABRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000110672111 473169695 /nfs/dbraw/zinc/16/96/95/473169695.db2.gz HILXCUYLIQNYJQ-ZIAGYGMSSA-N 1 0 333.398 2.987 40 0 EFABRO C[N@H+](C[C@H]1CCOC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000110698746 473172055 /nfs/dbraw/zinc/17/20/55/473172055.db2.gz QOTLJDDOOGQCBJ-ABAIWWIYSA-N 1 0 326.799 2.553 40 0 EFABRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(O[C@H]2CCOC2)n1 ZINC000110708274 473173019 /nfs/dbraw/zinc/17/30/19/473173019.db2.gz MJJHHRVEIZDTTJ-DKKFBQAASA-N 1 0 344.455 2.687 40 0 EFABRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000136864441 473182226 /nfs/dbraw/zinc/18/22/26/473182226.db2.gz LVEOPDMEIYJIMW-IAGOWNOFSA-N 1 0 344.455 2.575 40 0 EFABRO C[C@@H]1C[C@@H](NCc2nnc3ccccn32)C[N@H+](Cc2ccccc2)C1 ZINC000136893002 473183216 /nfs/dbraw/zinc/18/32/16/473183216.db2.gz AEEXITJTXLTQPL-SJLPKXTDSA-N 1 0 335.455 2.730 40 0 EFABRO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)[C@@H]1CC=CCC1 ZINC000075416134 473184159 /nfs/dbraw/zinc/18/41/59/473184159.db2.gz MACYAWQLMPPZQD-QGZVFWFLSA-N 1 0 328.456 2.981 40 0 EFABRO CS(=O)(=O)c1cccc(OCC[NH2+]C2(c3ccccc3)CC2)c1 ZINC000096414865 473393799 /nfs/dbraw/zinc/39/37/99/473393799.db2.gz BDXBPXIJHAJQAR-UHFFFAOYSA-N 1 0 331.437 2.748 40 0 EFABRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1nccn1C(F)F ZINC000096414990 473394148 /nfs/dbraw/zinc/39/41/48/473394148.db2.gz LSVBBVOEUNDXIO-UHFFFAOYSA-N 1 0 349.429 2.532 40 0 EFABRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC=CC1 ZINC000096419250 473398032 /nfs/dbraw/zinc/39/80/32/473398032.db2.gz QWEBSNXGHDWKOW-UHFFFAOYSA-N 1 0 341.499 2.667 40 0 EFABRO NS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096419567 473398090 /nfs/dbraw/zinc/39/80/90/473398090.db2.gz VJQVJEGYRPNTGK-CYBMUJFWSA-N 1 0 336.379 2.521 40 0 EFABRO COCC[N@@H+]1CC[C@@H](NC(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000096426449 473404922 /nfs/dbraw/zinc/40/49/22/473404922.db2.gz IKBKHKOTODAANT-CYBMUJFWSA-N 1 0 348.468 2.669 40 0 EFABRO Cc1ccc(F)cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000096425912 473404995 /nfs/dbraw/zinc/40/49/95/473404995.db2.gz FYFSBMAJBMXECN-UHFFFAOYSA-N 1 0 347.478 2.814 40 0 EFABRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426854 473406465 /nfs/dbraw/zinc/40/64/65/473406465.db2.gz HRZRBEIPJPMQGE-RBUKOAKNSA-N 1 0 330.472 2.926 40 0 EFABRO C[C@@H](C(=O)N1CCC2(CC1)OCC(C)(C)CO2)[NH+]1CCCCCC1 ZINC000096436302 473416448 /nfs/dbraw/zinc/41/64/48/473416448.db2.gz DDZCVFSUCMKKLX-INIZCTEOSA-N 1 0 338.492 2.643 40 0 EFABRO C[N@@H+]1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000096437165 473416479 /nfs/dbraw/zinc/41/64/79/473416479.db2.gz MUAFWYMDBAZTJO-BPQIPLTHSA-N 1 0 343.496 2.947 40 0 EFABRO C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000096439578 473417665 /nfs/dbraw/zinc/41/76/65/473417665.db2.gz BPDRLEZDOSMEBC-QZTJIDSGSA-N 1 0 343.471 2.735 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000096440799 473418824 /nfs/dbraw/zinc/41/88/24/473418824.db2.gz FOSYGQLBEKXMCV-OALUTQOASA-N 1 0 347.478 2.606 40 0 EFABRO CSc1ccc(OCC[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000096441423 473419694 /nfs/dbraw/zinc/41/96/94/473419694.db2.gz POKGDIBRLBVYFO-OAHLLOKOSA-N 1 0 334.485 2.874 40 0 EFABRO CC(=O)Nc1cccc(CN(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000096443407 473421136 /nfs/dbraw/zinc/42/11/36/473421136.db2.gz IKJURWBQSATHKX-SFHVURJKSA-N 1 0 345.487 2.578 40 0 EFABRO CC(=O)Nc1cccc(CN(C)C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096443408 473421200 /nfs/dbraw/zinc/42/12/00/473421200.db2.gz IKJURWBQSATHKX-GOSISDBHSA-N 1 0 345.487 2.578 40 0 EFABRO C[NH+]1CCC(NC(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000096445227 473422338 /nfs/dbraw/zinc/42/23/38/473422338.db2.gz BVOWSICWYFWTGL-NSCUHMNNSA-N 1 0 329.263 2.734 40 0 EFABRO CN(Cc1cc2ccccc2o1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000096446009 473424224 /nfs/dbraw/zinc/42/42/24/473424224.db2.gz JUSQUGJCZBSWCI-UHFFFAOYSA-N 1 0 341.415 2.855 40 0 EFABRO Cc1c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cnc2ccccc12 ZINC000096451257 473428019 /nfs/dbraw/zinc/42/80/19/473428019.db2.gz GYGHFXWCBBYKQR-MRXNPFEDSA-N 1 0 341.455 2.726 40 0 EFABRO Cc1cnc(CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000096452373 473428697 /nfs/dbraw/zinc/42/86/97/473428697.db2.gz PFWQAAXYNCHAEZ-UHFFFAOYSA-N 1 0 336.505 2.700 40 0 EFABRO O=C(NCC[S@](=O)c1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452090 473428860 /nfs/dbraw/zinc/42/88/60/473428860.db2.gz VMNNAMKUSSWFAV-UPCLLVRISA-N 1 0 348.512 2.565 40 0 EFABRO NC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000096454189 473429875 /nfs/dbraw/zinc/42/98/75/473429875.db2.gz GAEQWJOOKOHHBE-LBPRGKRZSA-N 1 0 333.407 2.518 40 0 EFABRO C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000096455951 473431499 /nfs/dbraw/zinc/43/14/99/473431499.db2.gz UJPLRWNSYVAXLN-GFCCVEGCSA-N 1 0 342.892 2.828 40 0 EFABRO CSC[C@H](C)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000096456020 473432087 /nfs/dbraw/zinc/43/20/87/473432087.db2.gz PKCLNZISOXPMJR-HRCADAONSA-N 1 0 342.549 2.723 40 0 EFABRO CC(=O)Nc1cc(C(=O)NCC(C)(C)[NH+](C)C)cc(C(F)(F)F)c1 ZINC000096471582 473436446 /nfs/dbraw/zinc/43/64/46/473436446.db2.gz ZRQOBXINJLQEFT-UHFFFAOYSA-N 1 0 345.365 2.734 40 0 EFABRO CC(C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000096474444 473438304 /nfs/dbraw/zinc/43/83/04/473438304.db2.gz CBSGXZVMOOCPET-UHFFFAOYSA-N 1 0 332.448 2.887 40 0 EFABRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1F ZINC000096474697 473438674 /nfs/dbraw/zinc/43/86/74/473438674.db2.gz UJPUTRQXDLNFAW-OAHLLOKOSA-N 1 0 343.450 2.527 40 0 EFABRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(c1ccc3nnc(C(F)F)n3n1)C2 ZINC000096480994 473441229 /nfs/dbraw/zinc/44/12/29/473441229.db2.gz CGUAXTIKJCORTO-NWDGAFQWSA-N 1 0 336.390 2.513 40 0 EFABRO Cc1nccn1CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000096485961 473444244 /nfs/dbraw/zinc/44/42/44/473444244.db2.gz BINBEMNIZBJOAO-QGZVFWFLSA-N 1 0 332.492 2.743 40 0 EFABRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCCN4CCOCC4)C3)nc2c1 ZINC000096490638 473446497 /nfs/dbraw/zinc/44/64/97/473446497.db2.gz JXIDMRVLURIHIR-KRWDZBQOSA-N 1 0 342.487 2.773 40 0 EFABRO COc1ccc([C@H]2C[C@H](C)C[N@@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490057 473446884 /nfs/dbraw/zinc/44/68/84/473446884.db2.gz KICXWZNZWHGSPQ-XJKSGUPXSA-N 1 0 325.474 2.901 40 0 EFABRO O=S1(=O)CCC[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000096491696 473448191 /nfs/dbraw/zinc/44/81/91/473448191.db2.gz WOZZMLHHZTVXSH-QGZVFWFLSA-N 1 0 333.453 2.776 40 0 EFABRO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000096493452 473449711 /nfs/dbraw/zinc/44/97/11/473449711.db2.gz JXTOCARIPMPWJT-LLVKDONJSA-N 1 0 342.848 2.772 40 0 EFABRO C[C@H](C[NH2+][C@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493849 473449754 /nfs/dbraw/zinc/44/97/54/473449754.db2.gz ZQKWLJGPAFCJPM-IAQYHMDHSA-N 1 0 338.249 2.609 40 0 EFABRO CCOC(=O)N1CCC([NH2+][C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000096495246 473450502 /nfs/dbraw/zinc/45/05/02/473450502.db2.gz HSFMIAPQZKTNHS-MRXNPFEDSA-N 1 0 345.447 2.637 40 0 EFABRO Cc1ncc(C[NH2+][C@H]2CCN(c3ccccn3)C2)n1-c1ccccc1 ZINC000096494401 473450946 /nfs/dbraw/zinc/45/09/46/473450946.db2.gz UIPJHGBMMDPZDZ-KRWDZBQOSA-N 1 0 333.439 2.944 40 0 EFABRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2=COCCC2)cc1 ZINC000096499923 473451425 /nfs/dbraw/zinc/45/14/25/473451425.db2.gz CMAJGSIXQGCGCA-GOSISDBHSA-N 1 0 330.428 2.643 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(CO)c2)C1 ZINC000096499638 473451867 /nfs/dbraw/zinc/45/18/67/473451867.db2.gz JANHCCYWAMODCC-HNNXBMFYSA-N 1 0 338.423 2.807 40 0 EFABRO O=C(C[NH2+]C1CC1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000096499772 473451940 /nfs/dbraw/zinc/45/19/40/473451940.db2.gz YMEINWCOGDSUMM-UHFFFAOYSA-N 1 0 335.860 2.874 40 0 EFABRO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000096500609 473452653 /nfs/dbraw/zinc/45/26/53/473452653.db2.gz XCRNYSIYSXLKGC-HXUWFJFHSA-N 1 0 339.483 2.698 40 0 EFABRO Cc1cnccc1CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096500582 473453054 /nfs/dbraw/zinc/45/30/54/473453054.db2.gz GIYAOVZRINYMLA-SJLPKXTDSA-N 1 0 344.503 2.885 40 0 EFABRO Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000096503122 473455099 /nfs/dbraw/zinc/45/50/99/473455099.db2.gz CIFBGRACDXOUCQ-HNAYVOBHSA-N 1 0 338.455 2.710 40 0 EFABRO COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000126504462 473520979 /nfs/dbraw/zinc/52/09/79/473520979.db2.gz UJFPOXGMMZKHLS-TZMCWYRMSA-N 1 0 344.249 2.602 40 0 EFABRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C ZINC000191371050 473532183 /nfs/dbraw/zinc/53/21/83/473532183.db2.gz RWESWHQXWFLKRS-JQWIXIFHSA-N 1 0 332.370 2.586 40 0 EFABRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C ZINC000191371016 473532702 /nfs/dbraw/zinc/53/27/02/473532702.db2.gz RWESWHQXWFLKRS-CMPLNLGQSA-N 1 0 332.370 2.586 40 0 EFABRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000170713857 473593708 /nfs/dbraw/zinc/59/37/08/473593708.db2.gz PGSGMYJCPNKAHM-CYBMUJFWSA-N 1 0 325.815 2.588 40 0 EFABRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1nccs1 ZINC000192051407 473616528 /nfs/dbraw/zinc/61/65/28/473616528.db2.gz KGAIVEDNCAYOBJ-JSGCOSHPSA-N 1 0 337.832 2.855 40 0 EFABRO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCSC2(CCOCC2)C1 ZINC000192193149 473646244 /nfs/dbraw/zinc/64/62/44/473646244.db2.gz PNZWCMAXFFEUPO-INIZCTEOSA-N 1 0 332.469 2.538 40 0 EFABRO C[C@]1(CNC(=O)NCc2nccs2)CCC[N@@H+]1Cc1ccccc1 ZINC000186355950 473658805 /nfs/dbraw/zinc/65/88/05/473658805.db2.gz WSXNPQCHIVMGEK-GOSISDBHSA-N 1 0 344.484 2.997 40 0 EFABRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)NC3CCCC3)ccc2NC1=O ZINC000180030289 473782108 /nfs/dbraw/zinc/78/21/08/473782108.db2.gz FFCRWNASXAYBTL-WBMJQRKESA-N 1 0 345.443 2.506 40 0 EFABRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000194113436 473843468 /nfs/dbraw/zinc/84/34/68/473843468.db2.gz GWLYRCVVHRXJPS-KOLCDFICSA-N 1 0 346.294 2.965 40 0 EFABRO C=Cn1cc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cn1 ZINC000194173728 473855830 /nfs/dbraw/zinc/85/58/30/473855830.db2.gz LMRZQSUTXGBVJJ-UHFFFAOYSA-N 1 0 341.411 2.550 40 0 EFABRO CCOc1ccc(C(=O)N2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194186984 473856465 /nfs/dbraw/zinc/85/64/65/473856465.db2.gz AEPZBRIHSCMCLL-IBGZPJMESA-N 1 0 344.455 2.972 40 0 EFABRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194548634 473914928 /nfs/dbraw/zinc/91/49/28/473914928.db2.gz RTXBUBDBAKTPRQ-MRXNPFEDSA-N 1 0 338.517 2.830 40 0 EFABRO COc1cc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)ccc1O ZINC000194972609 473984825 /nfs/dbraw/zinc/98/48/25/473984825.db2.gz SPAYURCBBICSDE-UHFFFAOYSA-N 1 0 347.484 2.874 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180934102 473988024 /nfs/dbraw/zinc/98/80/24/473988024.db2.gz LIMXGPNKFZCNHR-KFWWJZLASA-N 1 0 349.479 2.704 40 0 EFABRO COc1cc2c(cc1NC(=O)C[C@H]1C[NH2+]CCO1)oc1ccccc12 ZINC000195531123 474089841 /nfs/dbraw/zinc/08/98/41/474089841.db2.gz NCZUOORITXGXPF-LBPRGKRZSA-N 1 0 340.379 2.912 40 0 EFABRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000195532002 474090476 /nfs/dbraw/zinc/09/04/76/474090476.db2.gz JLPJSNZCSGRQRN-RTBURBONSA-N 1 0 345.487 2.577 40 0 EFABRO C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558085 474096593 /nfs/dbraw/zinc/09/65/93/474096593.db2.gz CYYRSSQVWKKGHA-ABAIWWIYSA-N 1 0 328.250 2.887 40 0 EFABRO C[NH2+]CC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000195543673 474092002 /nfs/dbraw/zinc/09/20/02/474092002.db2.gz RVKUHKNJLHHJHB-QMMMGPOBSA-N 1 0 327.812 2.999 40 0 EFABRO Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)c(C)c2)c1 ZINC000195543418 474092056 /nfs/dbraw/zinc/09/20/56/474092056.db2.gz JJVZWDVAVHVOOK-IBGZPJMESA-N 1 0 340.423 2.809 40 0 EFABRO C[C@H]1CC([NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)C[C@H](C)C1 ZINC000195544371 474092990 /nfs/dbraw/zinc/09/29/90/474092990.db2.gz GQSVWRGSUNKJQX-LALPHHSUSA-N 1 0 333.398 2.974 40 0 EFABRO CS[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549808 474093247 /nfs/dbraw/zinc/09/32/47/474093247.db2.gz HZMOYUDQSCWKEE-KGLIPLIRSA-N 1 0 333.906 2.911 40 0 EFABRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(Cl)c1 ZINC000188435484 474093411 /nfs/dbraw/zinc/09/34/11/474093411.db2.gz UXOOJIHZEKXGIU-KBPBESRZSA-N 1 0 342.892 2.899 40 0 EFABRO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCN(c3ccccn3)C2)CC1 ZINC000195551369 474094586 /nfs/dbraw/zinc/09/45/86/474094586.db2.gz VNKZIBXZXQLWRI-KRWDZBQOSA-N 1 0 346.475 2.507 40 0 EFABRO COc1ccc(CN2CC[NH+](C)CC2)cc1NCC1(C)CCOCC1 ZINC000195561822 474095463 /nfs/dbraw/zinc/09/54/63/474095463.db2.gz CRQVAKDNBOYVQK-UHFFFAOYSA-N 1 0 347.503 2.671 40 0 EFABRO C[C@H](CO)[NH2+][C@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558099 474096112 /nfs/dbraw/zinc/09/61/12/474096112.db2.gz CMCGEYPWKDJBIC-IAQYHMDHSA-N 1 0 328.250 2.887 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@@H](O)C(F)(F)F ZINC000195564298 474096965 /nfs/dbraw/zinc/09/69/65/474096965.db2.gz KSMAZCXJJDTNFJ-VNQPRFMTSA-N 1 0 330.394 2.752 40 0 EFABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000195566252 474097315 /nfs/dbraw/zinc/09/73/15/474097315.db2.gz DAMFBBBDDJADGM-DOTOQJQBSA-N 1 0 328.460 2.705 40 0 EFABRO Cc1cc(Cl)ccc1C[NH2+]CC1(CS(C)(=O)=O)CCOCC1 ZINC000195565672 474097443 /nfs/dbraw/zinc/09/74/43/474097443.db2.gz FKWORRGDOCHUHP-UHFFFAOYSA-N 1 0 345.892 2.579 40 0 EFABRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(Br)cn2)CC1 ZINC000195575058 474099223 /nfs/dbraw/zinc/09/92/23/474099223.db2.gz JWNVZKYPFHZEFG-ZDUSSCGKSA-N 1 0 341.297 2.530 40 0 EFABRO CC(C)[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000182165721 474112883 /nfs/dbraw/zinc/11/28/83/474112883.db2.gz DZPHWHRECHSTIL-WBMJQRKESA-N 1 0 346.443 2.533 40 0 EFABRO Fc1ccc(CN2Cc3ccnn3C[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000247492056 474163500 /nfs/dbraw/zinc/16/35/00/474163500.db2.gz BUQYYXPBHYYRCH-INIZCTEOSA-N 1 0 346.425 2.889 40 0 EFABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CC[NH+](C)CC1 ZINC000222881073 474176259 /nfs/dbraw/zinc/17/62/59/474176259.db2.gz SHSRTPZCMNQILF-LJQANCHMSA-N 1 0 330.472 2.933 40 0 EFABRO Fc1cc2ncnc(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)c2cc1F ZINC000247562416 474183093 /nfs/dbraw/zinc/18/30/93/474183093.db2.gz ZEEMXXMUYPRTBB-PPHDSNJXSA-N 1 0 330.382 2.829 40 0 EFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000225402037 474209164 /nfs/dbraw/zinc/20/91/64/474209164.db2.gz VRKAJWSNYWBTPW-MRXNPFEDSA-N 1 0 332.444 2.842 40 0 EFABRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccco3)cc2)CC1 ZINC000225433419 474212205 /nfs/dbraw/zinc/21/22/05/474212205.db2.gz XZSIVAFUHJIFIY-UHFFFAOYSA-N 1 0 343.427 2.752 40 0 EFABRO C[NH2+]CC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000225471662 474215152 /nfs/dbraw/zinc/21/51/52/474215152.db2.gz SHFTUDUMIMANOW-OQPBUACISA-N 1 0 329.263 2.568 40 0 EFABRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000225515044 474221094 /nfs/dbraw/zinc/22/10/94/474221094.db2.gz KRLFEBASHXAORQ-IPMKNSEASA-N 1 0 333.520 2.607 40 0 EFABRO COc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000247894583 474222490 /nfs/dbraw/zinc/22/24/90/474222490.db2.gz CAWRHIMPIGMXPX-FXAWDEMLSA-N 1 0 343.471 2.705 40 0 EFABRO Cc1csc(C2([NH2+]CCO[C@@H]3CCCCO3)CCOCC2)n1 ZINC000225532432 474223072 /nfs/dbraw/zinc/22/30/72/474223072.db2.gz BVLHZMYEPKJFOB-CQSZACIVSA-N 1 0 326.462 2.590 40 0 EFABRO Cc1cncc(CO[C@H]2CCOC3(CN(Cc4ccccn4)C3)C2)c1 ZINC000247918111 474226269 /nfs/dbraw/zinc/22/62/69/474226269.db2.gz NAUJGPQIVFHUAS-IBGZPJMESA-N 1 0 339.439 2.735 40 0 EFABRO c1ccc2c(c1)OC[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCOCC1)O2 ZINC000225573006 474226359 /nfs/dbraw/zinc/22/63/59/474226359.db2.gz JKYUMTOANXVWKX-YLJYHZDGSA-N 1 0 340.423 2.979 40 0 EFABRO Cc1nccn1C[C@H]1CCCN1c1nnc(-c2ccccn2)s1 ZINC000225597013 474227639 /nfs/dbraw/zinc/22/76/39/474227639.db2.gz OGLCMXIPMLOJQO-CYBMUJFWSA-N 1 0 326.429 2.774 40 0 EFABRO COc1cccc(-c2noc(N3CCC[C@@H]3Cn3ccnc3C)n2)c1 ZINC000225598408 474228221 /nfs/dbraw/zinc/22/82/21/474228221.db2.gz QIDLPGHOGFMJOP-OAHLLOKOSA-N 1 0 339.399 2.919 40 0 EFABRO C[N@@H+]1CC[C@H](Nc2nccn3c2nnc3C2CC2)[C@@H]1c1ccccc1 ZINC000225599926 474228667 /nfs/dbraw/zinc/22/86/67/474228667.db2.gz PPAIESSKKICYPF-HOTGVXAUSA-N 1 0 334.427 2.859 40 0 EFABRO O=C([C@@H]1CCC[N@@H+]1CCCCC1CCOCC1)N1CCSCC1 ZINC000225626705 474230535 /nfs/dbraw/zinc/23/05/35/474230535.db2.gz XKTAVLGFWCUZEQ-KRWDZBQOSA-N 1 0 340.533 2.623 40 0 EFABRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000225631428 474231242 /nfs/dbraw/zinc/23/12/42/474231242.db2.gz WSPXGECMPKPNEP-RISCZKNCSA-N 1 0 346.290 2.547 40 0 EFABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000247957376 474231989 /nfs/dbraw/zinc/23/19/89/474231989.db2.gz TYJQHKFTQYSZBJ-LJQANCHMSA-N 1 0 346.471 2.767 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC000248025232 474245691 /nfs/dbraw/zinc/24/56/91/474245691.db2.gz JILHQMTWRIDWPC-QKYXUNIQSA-N 1 0 341.455 2.548 40 0 EFABRO COc1ccc(C)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228935151 474250301 /nfs/dbraw/zinc/25/03/01/474250301.db2.gz FONLPKFQYDWTFW-UHFFFAOYSA-N 1 0 338.415 2.811 40 0 EFABRO c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)nc1 ZINC000248090873 474259063 /nfs/dbraw/zinc/25/90/63/474259063.db2.gz LKBXVLXHHFAEFN-UXHICEINSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)nc1 ZINC000248090868 474259279 /nfs/dbraw/zinc/25/92/79/474259279.db2.gz LKBXVLXHHFAEFN-PMACEKPBSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1ccc(C[NH+]2CCOC[C@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)o1 ZINC000248153204 474270238 /nfs/dbraw/zinc/27/02/38/474270238.db2.gz YIMMSJKPSSVFQZ-HKUYNNGSSA-N 1 0 336.476 2.536 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nn1 ZINC000283060367 474288596 /nfs/dbraw/zinc/28/85/96/474288596.db2.gz JMXPHNOJVKGWKF-SJORKVTESA-N 1 0 331.391 2.712 40 0 EFABRO C[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@H]1C ZINC000248559612 474357804 /nfs/dbraw/zinc/35/78/04/474357804.db2.gz MICLXXGHIQJXDX-BODMPHMZSA-N 1 0 339.501 2.712 40 0 EFABRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248916725 474484078 /nfs/dbraw/zinc/48/40/78/474484078.db2.gz ZZLFYXWBAQBSSA-RTBURBONSA-N 1 0 327.428 2.561 40 0 EFABRO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CN1CC(F)(F)F ZINC000249258818 474547833 /nfs/dbraw/zinc/54/78/33/474547833.db2.gz HIGTVUFLLSHESJ-BBBLOLIVSA-N 1 0 332.288 2.860 40 0 EFABRO O=C([C@H](F)CC1CCCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000241368023 474554599 /nfs/dbraw/zinc/55/45/99/474554599.db2.gz MJJRKGQIRHVGLH-ZWKOTPCHSA-N 1 0 340.483 2.866 40 0 EFABRO O=C(N[C@H]1CC[C@H]([N@H+](CCO)C2CC2)CC1)OCc1ccccc1 ZINC000242400262 474560057 /nfs/dbraw/zinc/56/00/57/474560057.db2.gz ASKXXIQRRRYJQK-QAQDUYKDSA-N 1 0 332.444 2.681 40 0 EFABRO CC(C)[N@H+](CCO)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242554608 474560496 /nfs/dbraw/zinc/56/04/96/474560496.db2.gz MOIGCKVAHGYLNA-QZTJIDSGSA-N 1 0 334.460 2.927 40 0 EFABRO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000245224772 474571826 /nfs/dbraw/zinc/57/18/26/474571826.db2.gz DIQJGOVLBDMMOU-ZIAGYGMSSA-N 1 0 328.453 2.675 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2)C1 ZINC000245225355 474572370 /nfs/dbraw/zinc/57/23/70/474572370.db2.gz SYBFTQSYUZTMNH-GPMSIDNRSA-N 1 0 330.472 2.960 40 0 EFABRO O[C@@H]1CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@H]12 ZINC000245227769 474572532 /nfs/dbraw/zinc/57/25/32/474572532.db2.gz UYCRVAISBCXPHX-IACUBPJLSA-N 1 0 348.834 2.910 40 0 EFABRO c1ccc(N2CCN(C3CC[NH+]([C@H]4CCSC4)CC3)CC2)cc1 ZINC000252478253 474663616 /nfs/dbraw/zinc/66/36/16/474663616.db2.gz AGXHJEKWVUYJCH-IBGZPJMESA-N 1 0 331.529 2.779 40 0 EFABRO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000252479508 474665174 /nfs/dbraw/zinc/66/51/74/474665174.db2.gz BGPLEPZADFSEDY-JCYILVPMSA-N 1 0 337.508 2.755 40 0 EFABRO CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252484699 474668795 /nfs/dbraw/zinc/66/87/95/474668795.db2.gz GEYZLWLMUAZWTP-ROUUACIJSA-N 1 0 345.487 2.908 40 0 EFABRO CCc1[nH+]c2ccccc2c(N2CC[C@](O)(c3nc(C)no3)C2)c1C ZINC000252487065 474673386 /nfs/dbraw/zinc/67/33/86/474673386.db2.gz HRPPLCSKKIOEKP-LJQANCHMSA-N 1 0 338.411 2.895 40 0 EFABRO CN(C)C(=O)OCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252586711 474699986 /nfs/dbraw/zinc/69/99/86/474699986.db2.gz RZKOSDXVBAWACS-KGLIPLIRSA-N 1 0 346.349 2.511 40 0 EFABRO C[C@@H]1CCCN(c2ccnc3cc(Br)cnc32)[C@H]1C[NH3+] ZINC000252857678 474714053 /nfs/dbraw/zinc/71/40/53/474714053.db2.gz IKXUHGKTMLNPDL-YGRLFVJLSA-N 1 0 335.249 2.956 40 0 EFABRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000253369907 474727866 /nfs/dbraw/zinc/72/78/66/474727866.db2.gz JRPUQTPPRBRAKD-AHRSYUTCSA-N 1 0 337.467 2.885 40 0 EFABRO c1cnc(N2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)nc1 ZINC000253370104 474728599 /nfs/dbraw/zinc/72/85/99/474728599.db2.gz MDXZKDSZGCEUNV-XMTFNYHQSA-N 1 0 342.487 2.630 40 0 EFABRO CC(C)[N@@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253401755 474737553 /nfs/dbraw/zinc/73/75/53/474737553.db2.gz NLZQQIKSMGDOBW-KRWDZBQOSA-N 1 0 349.906 2.969 40 0 biogenic,in-vitro EFABRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000253406053 474738763 /nfs/dbraw/zinc/73/87/63/474738763.db2.gz VGMZUZCYRHDPQX-MRXNPFEDSA-N 1 0 341.459 2.724 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739217 /nfs/dbraw/zinc/73/92/17/474739217.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 1 0 343.515 2.828 40 0 biogenic,in-vitro EFABRO COc1ccc(CN2C[C@@H]3C[N@@H+](C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739289 /nfs/dbraw/zinc/73/92/89/474739289.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 1 0 331.504 2.684 40 0 biogenic,in-vitro EFABRO Cn1ccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000253415595 474741535 /nfs/dbraw/zinc/74/15/35/474741535.db2.gz GQXXLQCJRDVKAQ-ZDUSSCGKSA-N 1 0 349.276 2.799 40 0 EFABRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cc(C)no1)CC2 ZINC000253418919 474744149 /nfs/dbraw/zinc/74/41/49/474744149.db2.gz DYHGQCGQEFOHNG-UHFFFAOYSA-N 1 0 332.400 2.610 40 0 EFABRO C[C@H](c1ccccc1)[NH+]1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000253420227 474746446 /nfs/dbraw/zinc/74/64/46/474746446.db2.gz JFEACUCBOJSTTD-PBHICJAKSA-N 1 0 327.428 2.639 40 0 EFABRO COC(=O)c1cccc(-c2nc(CN3CCCC[C@@H]3CO)cs2)c1 ZINC000253425715 474750828 /nfs/dbraw/zinc/75/08/28/474750828.db2.gz DRACQNOTCPBXBJ-MRXNPFEDSA-N 1 0 346.452 2.944 40 0 EFABRO COc1ccc(C(=O)N2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)cc1 ZINC000306128824 474807730 /nfs/dbraw/zinc/80/77/30/474807730.db2.gz HLTJRWFLALCMIX-FUHWJXTLSA-N 1 0 346.471 2.658 40 0 EFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000306124986 474808161 /nfs/dbraw/zinc/80/81/61/474808161.db2.gz CDWJMUQTSJVFBD-HNNXBMFYSA-N 1 0 341.455 2.741 40 0 EFABRO Cc1nc2c(n1C(C)C)C[N@H+](C)CC21CCN(c2ncccn2)CC1 ZINC000306139458 474811283 /nfs/dbraw/zinc/81/12/83/474811283.db2.gz SXUHOZKUUVGFRD-UHFFFAOYSA-N 1 0 340.475 2.546 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000257283061 474928727 /nfs/dbraw/zinc/92/87/27/474928727.db2.gz OWPXRSDDYDKQHT-GOSISDBHSA-N 1 0 338.455 2.835 40 0 EFABRO CNc1cncc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000257281396 474929373 /nfs/dbraw/zinc/92/93/73/474929373.db2.gz OOYWLNZUUZSQJV-QGZVFWFLSA-N 1 0 339.443 2.557 40 0 EFABRO Cc1ccccc1CN(C)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257281770 474930681 /nfs/dbraw/zinc/93/06/81/474930681.db2.gz OQXWLVGJRINCFD-CGXNFDGLSA-N 1 0 340.467 2.725 40 0 EFABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1 ZINC000257281697 474930771 /nfs/dbraw/zinc/93/07/71/474930771.db2.gz OQNXRIJICKQHAD-UHFFFAOYSA-N 1 0 340.814 2.914 40 0 EFABRO CN(c1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnccn1)CC2 ZINC000257284653 474932024 /nfs/dbraw/zinc/93/20/24/474932024.db2.gz PDRNZAJEZULKNK-IBGZPJMESA-N 1 0 338.455 2.737 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 ZINC000257284164 474933176 /nfs/dbraw/zinc/93/31/76/474933176.db2.gz PBLRKQXOJSJSEM-GOSISDBHSA-N 1 0 336.439 2.729 40 0 EFABRO CN(c1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cnccn1)CC2 ZINC000257284654 474933280 /nfs/dbraw/zinc/93/32/80/474933280.db2.gz PDRNZAJEZULKNK-LJQANCHMSA-N 1 0 338.455 2.737 40 0 EFABRO COCC[NH+]1CCC(c2ccnc(Nc3ccc(C)cn3)n2)CC1 ZINC000257290752 474933885 /nfs/dbraw/zinc/93/38/85/474933885.db2.gz QEEAKKJKDFLUQJ-UHFFFAOYSA-N 1 0 327.432 2.749 40 0 EFABRO Nc1ncc(F)c(CC2CC3(C2)COCC[N@@H+](C2CCCCC2)C3)n1 ZINC000257291773 474936877 /nfs/dbraw/zinc/93/68/77/474936877.db2.gz QIOJENVUJBQNOV-UHFFFAOYSA-N 1 0 348.466 2.802 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257291798 474937398 /nfs/dbraw/zinc/93/73/98/474937398.db2.gz QIQAKQROMSIIBU-OAHLLOKOSA-N 1 0 345.418 2.672 40 0 EFABRO Cc1nc(C)c(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)s1 ZINC000257295292 474937453 /nfs/dbraw/zinc/93/74/53/474937453.db2.gz QXSPHLGCCNGMRK-SCNOPHJPSA-N 1 0 333.501 2.824 40 0 EFABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000257295732 474937554 /nfs/dbraw/zinc/93/75/54/474937554.db2.gz QZQBMPBENKBVGS-FQEVSTJZSA-N 1 0 337.423 2.969 40 0 EFABRO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@H+](Cc4ccccn4)C3)ncn2)n1 ZINC000257299100 474941583 /nfs/dbraw/zinc/94/15/83/474941583.db2.gz ROSAWMIGMQNNMH-OAHLLOKOSA-N 1 0 334.427 2.635 40 0 EFABRO COc1ccc2[nH]c(C[NH+]3CCC4(CC3)OCCC[C@H]4O)cc2c1 ZINC000257304762 474943047 /nfs/dbraw/zinc/94/30/47/474943047.db2.gz SNBRCNIMAGDVJA-GOSISDBHSA-N 1 0 330.428 2.682 40 0 EFABRO Cc1cccc(Nc2nccnc2C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000257306752 474944504 /nfs/dbraw/zinc/94/45/04/474944504.db2.gz SVRJUMDZBLUBCM-INIZCTEOSA-N 1 0 339.443 2.892 40 0 EFABRO CN(Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257307098 474945125 /nfs/dbraw/zinc/94/51/25/474945125.db2.gz SXEWGPWGECXLOH-YSHGAJCASA-N 1 0 346.858 2.680 40 0 EFABRO C[N@@H+]1CCCC[C@@H]2[C@@H]1C[C@H](c1ccccc1)N2C(=O)Cn1cccn1 ZINC000257309391 474945442 /nfs/dbraw/zinc/94/54/42/474945442.db2.gz UATJMTPASGOXCT-QRVBRYPASA-N 1 0 338.455 2.710 40 0 EFABRO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3cccs3)CCN2C)c1 ZINC000257308431 474945754 /nfs/dbraw/zinc/94/57/54/474945754.db2.gz TWRHOWWEVHLUFO-KRWDZBQOSA-N 1 0 329.469 2.596 40 0 EFABRO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257309796 474946938 /nfs/dbraw/zinc/94/69/38/474946938.db2.gz UCKPVARWGGIYBU-LBPRGKRZSA-N 1 0 326.429 2.703 40 0 EFABRO CO[C@@H]1CCCOC12CC[NH+](Cc1cnn3c1nc(C)cc3C)CC2 ZINC000257311885 474948420 /nfs/dbraw/zinc/94/84/20/474948420.db2.gz ULKTULQYTWNIJD-QGZVFWFLSA-N 1 0 344.459 2.506 40 0 EFABRO CCCn1cc(C[N@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cn1 ZINC000257315974 474950121 /nfs/dbraw/zinc/95/01/21/474950121.db2.gz VDOMCAHWIXBSJE-QYZOEREBSA-N 1 0 329.444 2.696 40 0 EFABRO CCOc1ccccc1C[NH+]1CC2(C1)CO[C@H](Cc1cncnc1)C2 ZINC000257319678 474951259 /nfs/dbraw/zinc/95/12/59/474951259.db2.gz VTPDIYHUHBXGBR-GOSISDBHSA-N 1 0 339.439 2.709 40 0 EFABRO NC(=O)[C@@]1(CCCc2ccccn2)CCC[N@H+](Cc2cccnc2)C1 ZINC000257319674 474951327 /nfs/dbraw/zinc/95/13/27/474951327.db2.gz VTOMSEIJDYLAJE-FQEVSTJZSA-N 1 0 338.455 2.567 40 0 EFABRO Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2cnccn2)C1 ZINC000257320664 474951390 /nfs/dbraw/zinc/95/13/90/474951390.db2.gz VXVUXJJHWFJNGO-HNNXBMFYSA-N 1 0 335.411 2.541 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257326502 474955576 /nfs/dbraw/zinc/95/55/76/474955576.db2.gz WXJZGMSIMJCMOL-ZDUSSCGKSA-N 1 0 340.456 2.696 40 0 EFABRO NC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3ccccc3F)CC2)ncn1 ZINC000257324133 474956270 /nfs/dbraw/zinc/95/62/70/474956270.db2.gz WNHNVONYVNMAQN-CQSZACIVSA-N 1 0 342.418 2.559 40 0 EFABRO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000257333229 474959553 /nfs/dbraw/zinc/95/95/53/474959553.db2.gz YASVVIHDRVXMNH-KRWDZBQOSA-N 1 0 330.476 2.933 40 0 EFABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000257337980 474961002 /nfs/dbraw/zinc/96/10/02/474961002.db2.gz YVHJDLSKRUNMFS-INIZCTEOSA-N 1 0 340.402 2.828 40 0 EFABRO Cn1cc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c2cc(F)ccc21 ZINC000257343612 474965741 /nfs/dbraw/zinc/96/57/41/474965741.db2.gz ZTRYWJSODAFPHH-SFHVURJKSA-N 1 0 332.419 2.823 40 0 EFABRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)ccc1F ZINC000260801805 474973876 /nfs/dbraw/zinc/97/38/76/474973876.db2.gz NCKFVOZWAJNQIU-ZDUSSCGKSA-N 1 0 328.453 2.534 40 0 EFABRO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000331870264 475440158 /nfs/dbraw/zinc/44/01/58/475440158.db2.gz UPLJYWWKFOWLNY-MRXNPFEDSA-N 1 0 341.459 2.598 40 0 EFABRO C[NH+]1CCN(c2ccnc(-c3noc([C@@]4(C)CC=CCC4)n3)c2)CC1 ZINC000333870362 476050956 /nfs/dbraw/zinc/05/09/56/476050956.db2.gz UIMPHJAKAGNTQX-IBGZPJMESA-N 1 0 339.443 2.881 40 0 EFABRO c1cn(C2CCCC2)nc1CNc1cc(N2CCSCC2)ncn1 ZINC000302862098 476210715 /nfs/dbraw/zinc/21/07/15/476210715.db2.gz VVMTUWYQJXESKC-UHFFFAOYSA-N 1 0 344.488 2.954 40 0 EFABRO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)NC3CCCCCCC3)C2)cn1 ZINC000363307134 476644161 /nfs/dbraw/zinc/64/41/61/476644161.db2.gz OZIVZHGOUJEXCP-INIZCTEOSA-N 1 0 332.492 2.514 40 0 EFABRO COc1cc(NC(=O)N2CCC[N@H+](C)CC2)cc(OC)c1C(C)C ZINC000390833416 476805262 /nfs/dbraw/zinc/80/52/62/476805262.db2.gz HFSZGYZHVGPOOX-UHFFFAOYSA-N 1 0 335.448 2.997 40 0 EFABRO C[C@H]1C[C@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000390835084 476805809 /nfs/dbraw/zinc/80/58/09/476805809.db2.gz CGRYFZYUAWPFHG-GXFFZTMASA-N 1 0 343.240 2.730 40 0 EFABRO O=C1CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@H]([C@H]2CCCO2)N1 ZINC000529574786 479211408 /nfs/dbraw/zinc/21/14/08/479211408.db2.gz WUWNKTKBCDBFJW-DMDPSCGWSA-N 1 0 348.390 2.683 40 0 EFABRO O=C1CC[C@@]2(CCC[N@H+](Cc3nccs3)CC2)N1C[C@H]1CCCO1 ZINC000585099862 479282379 /nfs/dbraw/zinc/28/23/79/479282379.db2.gz MDVQNOFWLJKEDA-CRAIPNDOSA-N 1 0 349.500 2.669 40 0 EFABRO CC(C)CC[N@@H+]1CCC[C@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101089 479282523 /nfs/dbraw/zinc/28/25/23/479282523.db2.gz CKGYLJBRQMQRGX-INIZCTEOSA-N 1 0 343.418 2.557 40 0 EFABRO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3C)CC2)nc2ccccn12 ZINC000585100740 479282581 /nfs/dbraw/zinc/28/25/81/479282581.db2.gz VCFKWYFVSOMCOZ-IBGZPJMESA-N 1 0 326.444 2.620 40 0 EFABRO Cc1occc1C(=O)N1CCC2(C[N@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000585102747 479284040 /nfs/dbraw/zinc/28/40/40/479284040.db2.gz CVYMUWREUANNJV-QGZVFWFLSA-N 1 0 346.471 2.799 40 0 EFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000585103075 479284428 /nfs/dbraw/zinc/28/44/28/479284428.db2.gz PPNKYYLFPDZXGU-MRXNPFEDSA-N 1 0 348.487 2.637 40 0 EFABRO Cc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103398 479284481 /nfs/dbraw/zinc/28/44/81/479284481.db2.gz BTSDWYXWQPYLNJ-FQEVSTJZSA-N 1 0 330.472 2.702 40 0 EFABRO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103260 479284542 /nfs/dbraw/zinc/28/45/42/479284542.db2.gz NVGLSTWBYJLVIV-KRWDZBQOSA-N 1 0 346.471 2.880 40 0 EFABRO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585103376 479284563 /nfs/dbraw/zinc/28/45/63/479284563.db2.gz BNOBZJBICFFFTM-LJQANCHMSA-N 1 0 334.435 2.533 40 0 EFABRO CCn1cc(C[NH+]2CCC3(CC(NC(=O)OC(C)C)C3)CC2)cn1 ZINC000585104130 479285576 /nfs/dbraw/zinc/28/55/76/479285576.db2.gz WYGUEJHLXOPRGF-UHFFFAOYSA-N 1 0 334.464 2.782 40 0 EFABRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2CCCSCC2)c1 ZINC000585141960 479299597 /nfs/dbraw/zinc/29/95/97/479299597.db2.gz JSLKOYXKJFRMKH-RDJZCZTQSA-N 1 0 333.501 2.834 40 0 EFABRO COc1ncc(C[N@H+]2CC[C@H](OC)[C@H](Cc3ccccc3)C2)cn1 ZINC000585269295 479303374 /nfs/dbraw/zinc/30/33/74/479303374.db2.gz OKHGCTXUUVFUOW-MSOLQXFVSA-N 1 0 327.428 2.565 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)[nH]1 ZINC000585275753 479304872 /nfs/dbraw/zinc/30/48/72/479304872.db2.gz DXKUDWOAXFUWIK-ROUUACIJSA-N 1 0 331.435 2.988 40 0 EFABRO CO[C@@]1(COc2cccc(C)c2)CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585278609 479307001 /nfs/dbraw/zinc/30/70/01/479307001.db2.gz UOEJTEMOYHDMRO-IBGZPJMESA-N 1 0 327.428 2.763 40 0 EFABRO C[N@@H+]1CCC[C@H](NC(=O)Cc2ccccn2)[C@@H]1Cc1cccc(F)c1 ZINC000585280826 479308022 /nfs/dbraw/zinc/30/80/22/479308022.db2.gz PSWGZHJKVNZXPP-OALUTQOASA-N 1 0 341.430 2.585 40 0 EFABRO CC(=O)N1CC[C@H]([NH2+]CCc2ccccn2)[C@H](Cc2ccccc2)C1 ZINC000585284863 479308216 /nfs/dbraw/zinc/30/82/16/479308216.db2.gz IQRNGBLCRKOIEU-CTNGQTDRSA-N 1 0 337.467 2.693 40 0 EFABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](C3CCCCC3)CC[C@@H]2O)c1 ZINC000585288108 479308999 /nfs/dbraw/zinc/30/89/99/479308999.db2.gz WIZFCRFPEQBWFE-PMACEKPBSA-N 1 0 333.472 2.813 40 0 EFABRO Cc1cc(C)n(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)n1 ZINC000585289007 479309141 /nfs/dbraw/zinc/30/91/41/479309141.db2.gz CTRZMUUVNPUUNU-DFQSSKMNSA-N 1 0 343.471 2.759 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCNc2ccccn2)[C@H]1O ZINC000585289895 479310479 /nfs/dbraw/zinc/31/04/79/479310479.db2.gz WPDBKVIYACCAII-ILZDJORESA-N 1 0 341.455 2.753 40 0 EFABRO COCC1CC[NH+]([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585290431 479310897 /nfs/dbraw/zinc/31/08/97/479310897.db2.gz WFZAEEZMAPLGQF-IPMKNSEASA-N 1 0 337.435 2.845 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000585293375 479310902 /nfs/dbraw/zinc/31/09/02/479310902.db2.gz VXFVYZLSADRCBE-KZNAEPCWSA-N 1 0 335.806 2.800 40 0 EFABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(Cl)cc2)[C@H](CO)[C@@H]1O ZINC000585295132 479311002 /nfs/dbraw/zinc/31/10/02/479311002.db2.gz MSODWVOBJCZURS-GUDVDZBRSA-N 1 0 331.843 2.970 40 0 EFABRO CC(C)OCCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585290664 479311044 /nfs/dbraw/zinc/31/10/44/479311044.db2.gz ZOQHVQHKRFDVDH-RCCFBDPRSA-N 1 0 325.424 2.891 40 0 EFABRO Cc1cccc(C(=O)N2CC3(C2)CC[C@@H](C[NH+]2CCCC2)CO3)c1 ZINC000575404336 479438907 /nfs/dbraw/zinc/43/89/07/479438907.db2.gz AYFKSQQJXFJTJI-KRWDZBQOSA-N 1 0 328.456 2.712 40 0 EFABRO COc1ccc2c(c1)[C@@H](C(=O)NCC[N@H+]1CC=C(C)CC1)CCC2 ZINC000655000644 482125893 /nfs/dbraw/zinc/12/58/93/482125893.db2.gz YNUHWFCZRRGRKR-SFHVURJKSA-N 1 0 328.456 2.883 40 0 EFABRO C[C@H](O)C[NH2+]CCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000022075481 534088130 /nfs/dbraw/zinc/08/81/30/534088130.db2.gz PUNBLGOYAQNGEQ-HNNXBMFYSA-N 1 0 348.874 2.979 40 0 EFABRO COC(=O)c1coc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000184077092 534313669 /nfs/dbraw/zinc/31/36/69/534313669.db2.gz VUVNRSWAUBYZLZ-HNNXBMFYSA-N 1 0 340.379 2.691 40 0 EFABRO CC(=O)N1CCC[C@H]1c1cncc(C[N@H+](C)CCc2ccccc2)n1 ZINC000257200640 534776049 /nfs/dbraw/zinc/77/60/49/534776049.db2.gz AEEOLYFEDKQPHY-FQEVSTJZSA-N 1 0 338.455 2.835 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000133237775 526700938 /nfs/dbraw/zinc/70/09/38/526700938.db2.gz TXCAQCWYCXTJIA-YMAMQOFZSA-N 1 0 337.414 2.580 40 0 EFABRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H]2CCO[C@@H]21 ZINC000153608059 527876200 /nfs/dbraw/zinc/87/62/00/527876200.db2.gz RQZNFBLJHSWOJI-ZCDTZLGTSA-N 1 0 334.847 2.848 40 0 EFABRO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)cn1 ZINC000191475308 528842953 /nfs/dbraw/zinc/84/29/53/528842953.db2.gz NPKUJSKJHWNSPX-KRWDZBQOSA-N 1 0 325.460 2.690 40 0 EFABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)ccn1 ZINC000257249114 535992894 /nfs/dbraw/zinc/99/28/94/535992894.db2.gz JGWNHSVFWWHUPQ-GOSISDBHSA-N 1 0 349.438 2.997 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257251417 536050442 /nfs/dbraw/zinc/05/04/42/536050442.db2.gz JQRFCOHLURHJRT-ZGKFYVQTSA-N 1 0 336.439 2.915 40 0 EFABRO CCn1nncc1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000585087349 546371113 /nfs/dbraw/zinc/37/11/13/546371113.db2.gz SIXQNRPVUQMNGQ-DFQSSKMNSA-N 1 0 339.487 2.688 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000092866616 720994659 /nfs/dbraw/zinc/99/46/59/720994659.db2.gz HNSFOLBRBCWJLO-GOSISDBHSA-N 1 0 345.487 2.814 40 0 EFABRO CCn1cnc2c1nc(NCCCC[NH3+])nc2Nc1ccc(F)cc1 ZINC000026533044 1099434104 /nfs/dbraw/zinc/43/41/04/1099434104.db2.gz YKDTURTZZCWNJD-UHFFFAOYSA-N 1 0 343.410 2.880 40 0 EFABRO CN1CC[NH+](C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC000032611733 1099507155 /nfs/dbraw/zinc/50/71/55/1099507155.db2.gz FGGMHTMMIFVSHT-UHFFFAOYSA-N 1 0 333.451 2.506 40 0 EFABRO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@H+](C)CCCc1ccccc1 ZINC000052802730 214147128 /nfs/dbraw/zinc/14/71/28/214147128.db2.gz NHABFBULDXJPGP-HNNXBMFYSA-N 1 0 331.460 2.708 40 0 EFABRO COc1cc(Br)c([C@H](O)C[NH2+]CC(C)C)cc1OC ZINC000055029908 214264893 /nfs/dbraw/zinc/26/48/93/214264893.db2.gz SJUMQCHBKZSVDY-GFCCVEGCSA-N 1 0 332.238 2.745 40 0 EFABRO Cc1nnc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCOCc3ccccc3)O2)o1 ZINC000097953622 219064981 /nfs/dbraw/zinc/06/49/81/219064981.db2.gz MHPABQOSZOJTCK-KZNAEPCWSA-N 1 0 343.427 2.889 40 0 EFABRO CN1C[C@H](COCC2CC2)[C@H]2CC[N@H+](Cc3ccoc3)CC[C@H]2C1=O ZINC000097953627 219065002 /nfs/dbraw/zinc/06/50/02/219065002.db2.gz LFLFPUZIGYORTH-GUDVDZBRSA-N 1 0 346.471 2.623 40 0 EFABRO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000004538440 210216467 /nfs/dbraw/zinc/21/64/67/210216467.db2.gz ZWUFFHHUFFLOMC-NJAFHUGGSA-N 1 0 326.440 2.665 40 0 EFABRO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCC(C)CC3)C2=O)cc1 ZINC000100594378 219103059 /nfs/dbraw/zinc/10/30/59/219103059.db2.gz MYXUSYFLIBIYLP-KVULBXGLSA-N 1 0 330.428 2.886 40 0 EFABRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000004429622 210192387 /nfs/dbraw/zinc/19/23/87/210192387.db2.gz VMXCZTWKHLYJMM-ZIFCJYIRSA-N 1 0 330.472 2.577 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255233 282385162 /nfs/dbraw/zinc/38/51/62/282385162.db2.gz LBIMHLMTISNUQT-UHFFFAOYSA-N 1 0 335.411 2.744 40 0 EFABRO CC[NH+](CC)CCOC(=O)C[C@@](C)(O)[C@H]1CCO[C@](C)(CC)C1 ZINC000004027465 210103063 /nfs/dbraw/zinc/10/30/63/210103063.db2.gz NJVWNHTWZNLWLA-CGTJXYLNSA-N 1 0 329.481 2.608 40 0 EFABRO CC[C@@]1(C)C[C@@H]([C@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000004025609 210101021 /nfs/dbraw/zinc/10/10/21/210101021.db2.gz RMOMIOWOQMAUHS-FCEWJHQRSA-N 1 0 337.460 2.750 40 0 EFABRO CN(Cc1cc(CC2([NH2+]C3CCC3)COC2)no1)Cc1ccccc1 ZINC000067898104 215246332 /nfs/dbraw/zinc/24/63/32/215246332.db2.gz CIQGQHSYAVXOHG-UHFFFAOYSA-N 1 0 341.455 2.760 40 0 biogenic,in-vitro EFABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690209 213462965 /nfs/dbraw/zinc/46/29/65/213462965.db2.gz VFTHHKBDAZXHKY-ZOBUZTSGSA-N 1 0 325.424 2.560 40 0 EFABRO COc1ccc([C@H](Cc2ccccc2Cl)[NH+](CCO)CCO)cc1 ZINC000001668854 209778558 /nfs/dbraw/zinc/77/85/58/209778558.db2.gz OAZIQQIZCPUIDD-IBGZPJMESA-N 1 0 349.858 2.919 40 0 EFABRO Fc1cnc(N2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096158310 283033476 /nfs/dbraw/zinc/03/34/76/283033476.db2.gz LODXNLGHQFWIQK-SFHVURJKSA-N 1 0 327.407 2.503 40 0 EFABRO COc1ccc(CCNC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000036847511 213122122 /nfs/dbraw/zinc/12/21/22/213122122.db2.gz FWSQFPQSUBOLNV-CVEARBPZSA-N 1 0 349.544 2.965 40 0 EFABRO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)n1cnc2ccccc21 ZINC000036834365 213120786 /nfs/dbraw/zinc/12/07/86/213120786.db2.gz RRRSWDWXEDUWQA-HNNXBMFYSA-N 1 0 336.439 2.975 40 0 EFABRO O=C1CCCN1c1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)cc1 ZINC000036743617 213116593 /nfs/dbraw/zinc/11/65/93/213116593.db2.gz CMDKBESPMMDBNK-NRFANRHFSA-N 1 0 336.435 2.907 40 0 EFABRO COC(=O)c1cccc2nc([C@H]3CC[N@@H+](C4CCOCC4)C3)oc21 ZINC000035446957 213028759 /nfs/dbraw/zinc/02/87/59/213028759.db2.gz NNXCFFFIHGGUKK-LBPRGKRZSA-N 1 0 330.384 2.583 40 0 biogenic,in-vitro EFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000035446628 213028104 /nfs/dbraw/zinc/02/81/04/213028104.db2.gz IQONYVVHHNSXQD-ZDUSSCGKSA-N 1 0 330.407 2.502 40 0 biogenic,in-vitro EFABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cn1 ZINC000035425454 213027393 /nfs/dbraw/zinc/02/73/93/213027393.db2.gz MMWQTMOYRXPRGT-AWEZNQCLSA-N 1 0 332.404 2.702 40 0 biogenic,in-vitro EFABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)cn1 ZINC000035425472 213027058 /nfs/dbraw/zinc/02/70/58/213027058.db2.gz WZNQNPIUFAPVBX-HNNXBMFYSA-N 1 0 344.415 2.846 40 0 biogenic,in-vitro EFABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cn1 ZINC000035425233 213026584 /nfs/dbraw/zinc/02/65/84/213026584.db2.gz GGRNIPNPGNUQAL-AWEZNQCLSA-N 1 0 331.420 2.735 40 0 biogenic,in-vitro EFABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1ccco1 ZINC000035316079 213020640 /nfs/dbraw/zinc/02/06/40/213020640.db2.gz HYQWXKJSUZCTFR-UHFFFAOYSA-N 1 0 338.458 2.961 40 0 EFABRO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031666891 212742250 /nfs/dbraw/zinc/74/22/50/212742250.db2.gz XIMGRAOWKLUXAF-GOSISDBHSA-N 1 0 328.481 2.962 40 0 EFABRO Cc1cc2c(cc1C)[n+](C[C@H](O)COc1ccc(F)cc1)cn2C ZINC000000316286 209532615 /nfs/dbraw/zinc/53/26/15/209532615.db2.gz BFIFWBCMXPXJFO-INIZCTEOSA-N 1 0 329.395 2.662 40 0 EFABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358871 216165526 /nfs/dbraw/zinc/16/55/26/216165526.db2.gz PSGPBFGXYXWFTD-HNNXBMFYSA-N 1 0 342.418 2.550 40 0 EFABRO Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000072359760 216165890 /nfs/dbraw/zinc/16/58/90/216165890.db2.gz ZRPPDSQROVZIKQ-QGZVFWFLSA-N 1 0 338.455 2.720 40 0 EFABRO Cc1cc(C(=O)NCc2ccc(F)cc2)nc(C2CC[NH+](C)CC2)n1 ZINC000072365924 216171551 /nfs/dbraw/zinc/17/15/51/216171551.db2.gz PXWAIPVCRKHGHU-UHFFFAOYSA-N 1 0 342.418 2.663 40 0 EFABRO Cc1cc(CCC(=O)Nc2cn[nH]c2)nc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366858 216173182 /nfs/dbraw/zinc/17/31/82/216173182.db2.gz NCBDGSLFXYVIEC-MRXNPFEDSA-N 1 0 342.447 2.625 40 0 EFABRO NC(=O)[C@]1(CCCc2ccccn2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072367238 216173648 /nfs/dbraw/zinc/17/36/48/216173648.db2.gz CLUMCUWEEMTOOK-HXUWFJFHSA-N 1 0 338.455 2.567 40 0 EFABRO CNC(=O)[C@]1(CCCc2cccnc2)CCC[N@@H+]1Cc1ccccn1 ZINC000072367249 216173679 /nfs/dbraw/zinc/17/36/79/216173679.db2.gz XQCBXLRMMDYCHI-FQEVSTJZSA-N 1 0 338.455 2.580 40 0 EFABRO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](C(C)C)C3)n2)ncn1 ZINC000072377458 216178523 /nfs/dbraw/zinc/17/85/23/216178523.db2.gz VGPHVEOIMHJAJB-ZDUSSCGKSA-N 1 0 327.436 2.640 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377554 216178558 /nfs/dbraw/zinc/17/85/58/216178558.db2.gz SRAKQMQWHUNAMJ-HNNXBMFYSA-N 1 0 327.432 2.749 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384392 216185543 /nfs/dbraw/zinc/18/55/43/216185543.db2.gz FSIUGCKYGJDXQQ-OAHLLOKOSA-N 1 0 326.400 2.670 40 0 EFABRO Cc1nc(C(=O)NCCc2ccccc2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072382871 216183857 /nfs/dbraw/zinc/18/38/57/216183857.db2.gz TYCYVENPMYITSH-QGZVFWFLSA-N 1 0 338.455 2.567 40 0 EFABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389993 216189130 /nfs/dbraw/zinc/18/91/30/216189130.db2.gz CPMQRLNKUJFRME-HNNXBMFYSA-N 1 0 338.415 2.553 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392919 216191036 /nfs/dbraw/zinc/19/10/36/216191036.db2.gz NPXUZFUBBKBAIC-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393077 216191052 /nfs/dbraw/zinc/19/10/52/216191052.db2.gz BEMSKFYODNEQOH-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 ZINC000072395562 216192269 /nfs/dbraw/zinc/19/22/69/216192269.db2.gz VQWYMOOFHRKMKS-NQIIRXRSSA-N 1 0 334.419 2.812 40 0 EFABRO Cn1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c2nccnc21 ZINC000072393844 216192344 /nfs/dbraw/zinc/19/23/44/216192344.db2.gz BWXMEBICDHBSAB-CQSZACIVSA-N 1 0 325.391 2.882 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCC2(Cc3ccccc3)CCC2)C1 ZINC000130339192 223145118 /nfs/dbraw/zinc/14/51/18/223145118.db2.gz LGPJOLIPTMYSMO-GOSISDBHSA-N 1 0 329.488 2.993 40 0 EFABRO CC[C@@](C)([NH2+]CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000072684347 216293539 /nfs/dbraw/zinc/29/35/39/216293539.db2.gz WFOUAWHPVJAUGR-QGZVFWFLSA-N 1 0 329.425 2.654 40 0 EFABRO COc1ccc(C)cc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000026439244 212520200 /nfs/dbraw/zinc/52/02/00/212520200.db2.gz MSVUITXPUORSAJ-UHFFFAOYSA-N 1 0 345.487 2.892 40 0 EFABRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3n[nH]c4c3CCC4)cc21 ZINC000073102756 216349449 /nfs/dbraw/zinc/34/94/49/216349449.db2.gz SNDQZWKCZQMUKN-UHFFFAOYSA-N 1 0 337.427 2.667 40 0 EFABRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)n1cccn1 ZINC000073303167 216375237 /nfs/dbraw/zinc/37/52/37/216375237.db2.gz XGSWOUTZOZZLSF-JKSUJKDBSA-N 1 0 342.443 2.803 40 0 EFABRO OCC[NH2+]CCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000023468462 212378474 /nfs/dbraw/zinc/37/84/74/212378474.db2.gz UAGHQIZUQSKVEJ-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO OCC[NH2+]CCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000023468444 212378115 /nfs/dbraw/zinc/37/81/15/212378115.db2.gz MUPJGZJHMNCEJX-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO COc1cccc(OC)c1CN(CC[NH+](C)C)Cc1cccnc1 ZINC000022931525 212336258 /nfs/dbraw/zinc/33/62/58/212336258.db2.gz BPLYHYMOVGMXDJ-UHFFFAOYSA-N 1 0 329.444 2.663 40 0 EFABRO C[NH+](C)CCN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccn1 ZINC000022913977 212335139 /nfs/dbraw/zinc/33/51/39/212335139.db2.gz HPTPPJNOBBGRAT-LJQANCHMSA-N 1 0 343.475 2.541 40 0 EFABRO Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887508 212331961 /nfs/dbraw/zinc/33/19/61/212331961.db2.gz AZWSUGTUGVCKJK-NRFANRHFSA-N 1 0 339.483 2.858 40 0 EFABRO Cc1ccc([C@H](O)C[NH+]2CCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887513 212331607 /nfs/dbraw/zinc/33/16/07/212331607.db2.gz AZWSUGTUGVCKJK-OAQYLSRUSA-N 1 0 339.483 2.858 40 0 EFABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCN2CCOCC2)cc1 ZINC000022873615 212330762 /nfs/dbraw/zinc/33/07/62/212330762.db2.gz RDKSVTKKTGWFAM-OAQYLSRUSA-N 1 0 340.467 2.901 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc21)c1cccs1 ZINC000022687821 212317959 /nfs/dbraw/zinc/31/79/59/212317959.db2.gz BRHGCOIADKXFEJ-OAHLLOKOSA-N 1 0 341.436 2.622 40 0 EFABRO CC(C)[NH+](CCNC(=O)c1ccc(NC(=O)C2CC2)cc1)C(C)C ZINC000022623047 212312399 /nfs/dbraw/zinc/31/23/99/212312399.db2.gz MZTJPZQTXJCQAJ-UHFFFAOYSA-N 1 0 331.460 2.884 40 0 EFABRO C[C@@H](O)C[NH+]1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000193327597 240110469 /nfs/dbraw/zinc/11/04/69/240110469.db2.gz CTIJDZQXICDLKX-CYBMUJFWSA-N 1 0 331.287 2.924 40 0 EFABRO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCCCCF)CC1 ZINC000252497685 240307552 /nfs/dbraw/zinc/30/75/52/240307552.db2.gz QMYKBHQXNZAMOU-OAHLLOKOSA-N 1 0 339.430 2.910 40 0 EFABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000242701930 240252103 /nfs/dbraw/zinc/25/21/03/240252103.db2.gz WTBOBBBWOOHGGV-IYARVYRRSA-N 1 0 334.460 2.927 40 0 EFABRO Cc1nccn1CCCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257339318 240314206 /nfs/dbraw/zinc/31/42/06/240314206.db2.gz ZBFXHUONKPIBQY-UHFFFAOYSA-N 1 0 349.438 2.532 40 0 EFABRO CC(C)C[N@@H+]1CCO[C@@H](CSc2n[nH]c(-c3cccs3)n2)C1 ZINC000022227500 212282156 /nfs/dbraw/zinc/28/21/56/212282156.db2.gz CAFJUYMSMZTYDL-GFCCVEGCSA-N 1 0 338.502 2.982 40 0 EFABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000022191506 212281719 /nfs/dbraw/zinc/28/17/19/212281719.db2.gz UNDDCZMQPDTHPR-OAHLLOKOSA-N 1 0 342.270 2.961 40 0 EFABRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194548649 240625783 /nfs/dbraw/zinc/62/57/83/240625783.db2.gz RTXBUBDBAKTPRQ-INIZCTEOSA-N 1 0 338.517 2.830 40 0 EFABRO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000195530542 240984550 /nfs/dbraw/zinc/98/45/50/240984550.db2.gz MVYDGTGDJMURAC-CVYDXHPNSA-N 1 0 337.508 2.611 40 0 EFABRO CN(C(=O)c1ccc(F)c(Br)c1)C1CCC([NH3+])CC1 ZINC000195543015 240995742 /nfs/dbraw/zinc/99/57/42/240995742.db2.gz QKLUFYSZLGTVKP-UHFFFAOYSA-N 1 0 329.213 2.930 40 0 EFABRO C[NH+](C)CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199799945 241039628 /nfs/dbraw/zinc/03/96/28/241039628.db2.gz KOHOSNLQOSXROF-UHFFFAOYSA-N 1 0 327.219 2.896 40 0 EFABRO Clc1cccc(Cl)c1Cc1nsc(N2CC[NH2+]CC2)n1 ZINC000216643328 241202577 /nfs/dbraw/zinc/20/25/77/241202577.db2.gz AAWQARZJEAQMGG-UHFFFAOYSA-N 1 0 329.256 2.845 40 0 EFABRO [NH3+][C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217926692 241284374 /nfs/dbraw/zinc/28/43/74/241284374.db2.gz DAILXBGNKDRPOR-ILXRZTDVSA-N 1 0 325.792 2.746 40 0 EFABRO CC[C@H](C(=O)Nc1ccc(C(N)=O)c(C)c1)[N@H+](C)Cc1ccccc1 ZINC000225803241 242042553 /nfs/dbraw/zinc/04/25/53/242042553.db2.gz GZDMGVMXTGQQGI-GOSISDBHSA-N 1 0 339.439 2.943 40 0 EFABRO Cc1cc(C)cc([C@@H](O)CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000225759181 242020443 /nfs/dbraw/zinc/02/04/43/242020443.db2.gz DCMWURAYZZWYCG-KVZIAJEVSA-N 1 0 347.503 2.756 40 0 EFABRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000075862090 216660277 /nfs/dbraw/zinc/66/02/77/216660277.db2.gz SQLYOORZGMLKSP-ZDUSSCGKSA-N 1 0 329.366 2.704 40 0 EFABRO CN1Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3c3ccccc3)cc2C1=O ZINC000226751547 242113566 /nfs/dbraw/zinc/11/35/66/242113566.db2.gz LQCSGYIDAUROJJ-RTBURBONSA-N 1 0 349.434 2.556 40 0 EFABRO CN1Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)cc2C1=O ZINC000226751554 242113655 /nfs/dbraw/zinc/11/36/55/242113655.db2.gz LQCSGYIDAUROJJ-MOPGFXCFSA-N 1 0 349.434 2.556 40 0 EFABRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2nnc(C3CC3)s2)C1 ZINC000230104064 242231851 /nfs/dbraw/zinc/23/18/51/242231851.db2.gz XRIYYAKHQNIHSG-UONOGXRCSA-N 1 0 328.441 2.699 40 0 EFABRO C[C@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000241795536 243004332 /nfs/dbraw/zinc/00/43/32/243004332.db2.gz RZZPUBTTXNAANK-WMZOPIPTSA-N 1 0 345.487 2.644 40 0 EFABRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245343965 243104594 /nfs/dbraw/zinc/10/45/94/243104594.db2.gz WQHOGAYPOLSXLI-WQVCFCJDSA-N 1 0 340.826 2.767 40 0 EFABRO Brc1ccnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000253427978 243971532 /nfs/dbraw/zinc/97/15/32/243971532.db2.gz BXEHJDQUSBCYQJ-LBPRGKRZSA-N 1 0 340.265 2.757 40 0 EFABRO COc1cccc(O[C@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000020493081 212139322 /nfs/dbraw/zinc/13/93/22/212139322.db2.gz SMZGGPJQUASUDQ-BRWVUGGUSA-N 1 0 348.487 2.947 40 0 EFABRO c1cc2n(n1)C[C@@H](OCc1ccncc1)C[N@@H+](CC1CCCC1)C2 ZINC000253588543 244025687 /nfs/dbraw/zinc/02/56/87/244025687.db2.gz HFJISJMGGRHTOT-IBGZPJMESA-N 1 0 326.444 2.869 40 0 EFABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000255976635 244057537 /nfs/dbraw/zinc/05/75/37/244057537.db2.gz HLKRLEGOUNMEFF-HUUCEWRRSA-N 1 0 339.867 2.939 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccoc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000253603153 244034500 /nfs/dbraw/zinc/03/45/00/244034500.db2.gz BNZWGNPSEMERGT-DKSSEZFCSA-N 1 0 332.444 2.565 40 0 EFABRO CC(C)Cc1nsc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000253630082 244041523 /nfs/dbraw/zinc/04/15/23/244041523.db2.gz AKTKPKTVSJGYAP-GJZGRUSLSA-N 1 0 338.521 2.916 40 0 EFABRO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3sccc3C)CCN2C)c1 ZINC000257200475 244118842 /nfs/dbraw/zinc/11/88/42/244118842.db2.gz ADMYPVTVWSARLK-KRWDZBQOSA-N 1 0 343.496 2.905 40 0 EFABRO Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2C ZINC000257201847 244120354 /nfs/dbraw/zinc/12/03/54/244120354.db2.gz AJGQVJFVUYDSQA-OKZBNKHCSA-N 1 0 338.455 2.860 40 0 EFABRO Cc1ncsc1C(=O)N1CCC(c2cncc3c[nH+]c(C)n32)CC1 ZINC000257212905 244157361 /nfs/dbraw/zinc/15/73/61/244157361.db2.gz CFJXSGAYDDSBHU-UHFFFAOYSA-N 1 0 341.440 2.822 40 0 EFABRO COc1cc(C[NH+]2CCC3(CC2)OCCC[C@H]3OC)cc(OC)c1 ZINC000257212729 244157386 /nfs/dbraw/zinc/15/73/86/244157386.db2.gz CERRIRWXRSZKBZ-GOSISDBHSA-N 1 0 335.444 2.864 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257217137 244169317 /nfs/dbraw/zinc/16/93/17/244169317.db2.gz CXQMQIMTJXTQIY-IRXDYDNUSA-N 1 0 336.432 2.995 40 0 EFABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCC[NH2+]3)nc2C)c1 ZINC000257221243 244185833 /nfs/dbraw/zinc/18/58/33/244185833.db2.gz DOBZAVIBWUHYFL-KRWDZBQOSA-N 1 0 340.427 2.538 40 0 EFABRO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257223615 244192638 /nfs/dbraw/zinc/19/26/38/244192638.db2.gz DYCSGQMRBYVQRV-QGZVFWFLSA-N 1 0 330.457 2.820 40 0 EFABRO C[C@]12CC[N@@H+](C3CCOCC3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257230424 244210453 /nfs/dbraw/zinc/21/04/53/244210453.db2.gz GCGITEAMBBPCHC-ICSRJNTNSA-N 1 0 346.446 2.960 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)[nH+]1 ZINC000257219982 244180861 /nfs/dbraw/zinc/18/08/61/244180861.db2.gz DJBLDKXEVNRKIB-KRWDZBQOSA-N 1 0 329.375 2.633 40 0 EFABRO C[N@@H+]1CCCN(C(=O)c2ccnc(Cc3ccccc3F)c2)CC1 ZINC000257234519 244223935 /nfs/dbraw/zinc/22/39/35/244223935.db2.gz GTWXMKLCTPFSOE-UHFFFAOYSA-N 1 0 327.403 2.589 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH+]1 ZINC000257246389 244257579 /nfs/dbraw/zinc/25/75/79/244257579.db2.gz ITYANZLAIPRJQX-QGZVFWFLSA-N 1 0 345.468 2.660 40 0 EFABRO O=C1OC[C@@H](Cc2ccccc2)N1c1cncc(C2CC[NH2+]CC2)n1 ZINC000257237240 244231507 /nfs/dbraw/zinc/23/15/07/244231507.db2.gz HFSHNDCVPWRLLS-MRXNPFEDSA-N 1 0 338.411 2.512 40 0 EFABRO CCN1CCC([N@@H+]2CCC[C@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246632 244258532 /nfs/dbraw/zinc/25/85/32/244258532.db2.gz IVALTTRWCDBQDZ-INIZCTEOSA-N 1 0 327.476 2.632 40 0 EFABRO Cc1cc(-c2ncc[nH]2)nc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000257247330 244261334 /nfs/dbraw/zinc/26/13/34/244261334.db2.gz IYMUJVOYWBQHRJ-UHFFFAOYSA-N 1 0 334.427 2.950 40 0 EFABRO Cc1nc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cs1 ZINC000257249618 244266867 /nfs/dbraw/zinc/26/68/67/244266867.db2.gz JJCGFSWWKMHCLW-INIZCTEOSA-N 1 0 331.489 2.949 40 0 EFABRO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000257251144 244268618 /nfs/dbraw/zinc/26/86/18/244268618.db2.gz JPOOLRJCKNBZJN-HXUWFJFHSA-N 1 0 338.455 2.882 40 0 EFABRO O=C(CCn1ncc2ccccc21)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257252450 244273592 /nfs/dbraw/zinc/27/35/92/244273592.db2.gz JUUWNVSXYOPUGN-LJQANCHMSA-N 1 0 334.423 2.600 40 0 EFABRO O=C(c1cscn1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257254024 244275445 /nfs/dbraw/zinc/27/54/45/244275445.db2.gz KBGQBYOOGMRTAS-OAHLLOKOSA-N 1 0 343.452 2.701 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2nccnc2[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000257258244 244287858 /nfs/dbraw/zinc/28/78/58/244287858.db2.gz KSYKTLLOEAKMAI-GFCCVEGCSA-N 1 0 331.445 2.676 40 0 EFABRO CNc1ccc(C[C@H]2CCC[N@H+](Cc3cnc(C(C)C)nc3)C2)nn1 ZINC000257258411 244291203 /nfs/dbraw/zinc/29/12/03/244291203.db2.gz KTTDGKQHVSKRNI-OAHLLOKOSA-N 1 0 340.475 2.886 40 0 EFABRO COc1ccc(OCC(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)cc1 ZINC000257268470 244366102 /nfs/dbraw/zinc/36/61/02/244366102.db2.gz MLUVYSMDALIZLI-HKUYNNGSSA-N 1 0 332.444 2.597 40 0 EFABRO Cn1cnc(CN2CC[N@H+](C)C[C@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270387 244376485 /nfs/dbraw/zinc/37/64/85/244376485.db2.gz MUAOLEFBTZBCGG-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000257271365 244378577 /nfs/dbraw/zinc/37/85/77/244378577.db2.gz MXZUKGABIMVTBV-VAMGGRTRSA-N 1 0 336.435 2.913 40 0 EFABRO COc1ccccc1NC(=O)c1cnc(C2CC[NH2+]CC2)nc1C ZINC000257273835 244386540 /nfs/dbraw/zinc/38/65/40/244386540.db2.gz NILBSTJWGHYZIW-UHFFFAOYSA-N 1 0 326.400 2.513 40 0 EFABRO OCC[NH+]1CCC(CCc2ccnc(Nc3nccs3)c2)CC1 ZINC000257308848 244483436 /nfs/dbraw/zinc/48/34/36/244483436.db2.gz TYJUWONKYZDYIW-UHFFFAOYSA-N 1 0 332.473 2.919 40 0 EFABRO Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257319993 244514800 /nfs/dbraw/zinc/51/48/00/244514800.db2.gz VUXAOGYMHSBFLS-MRXNPFEDSA-N 1 0 328.416 2.725 40 0 EFABRO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](C1CCCC1)CC2 ZINC000019711531 212057335 /nfs/dbraw/zinc/05/73/35/212057335.db2.gz QFGLVISQHUTJHJ-KRWDZBQOSA-N 1 0 343.475 2.502 40 0 EFABRO COc1ccc2cc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3CCO)ccc2c1 ZINC000019563980 212043787 /nfs/dbraw/zinc/04/37/87/212043787.db2.gz LHLWQONUZQETQM-PMACEKPBSA-N 1 0 340.467 2.879 40 0 EFABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575940 212045528 /nfs/dbraw/zinc/04/55/28/212045528.db2.gz ZKMWMTWZZGIFCD-CGTJXYLNSA-N 1 0 349.478 2.971 40 0 EFABRO COc1cc2c(cc1C[N@@H+]1CC[C@@](O)(c3ccccc3)C1)OCCO2 ZINC000019550534 212041627 /nfs/dbraw/zinc/04/16/27/212041627.db2.gz MUQZUFMQENGHER-FQEVSTJZSA-N 1 0 341.407 2.560 40 0 EFABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019503718 212035442 /nfs/dbraw/zinc/03/54/42/212035442.db2.gz WEHMBFFMQWCTEA-CQSZACIVSA-N 1 0 328.416 2.589 40 0 EFABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019503720 212034507 /nfs/dbraw/zinc/03/45/07/212034507.db2.gz WEHMBFFMQWCTEA-AWEZNQCLSA-N 1 0 328.416 2.589 40 0 EFABRO CC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019500593 212033634 /nfs/dbraw/zinc/03/36/34/212033634.db2.gz BEXRAVOPCUHJJV-QGZVFWFLSA-N 1 0 332.496 2.800 40 0 EFABRO c1ccc(-c2cc(C[NH2+]CCc3ccncc3)c3nnnn3c2)cc1 ZINC000019374030 212024573 /nfs/dbraw/zinc/02/45/73/212024573.db2.gz ASIJSNREQFSHSS-UHFFFAOYSA-N 1 0 330.395 2.519 40 0 EFABRO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000019338738 212018480 /nfs/dbraw/zinc/01/84/80/212018480.db2.gz MPBUPSDPIBQIFQ-HTZLVSCSSA-N 1 0 348.450 2.989 40 0 EFABRO O=C(CC1CCCCC1)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019292429 212012805 /nfs/dbraw/zinc/01/28/05/212012805.db2.gz MJVHLJPSWIXXBF-UHFFFAOYSA-N 1 0 342.487 2.799 40 0 EFABRO COc1ccc(C[NH+]2CCC(c3nn(C)c4nccnc34)CC2)cc1 ZINC000019289444 212011850 /nfs/dbraw/zinc/01/18/50/212011850.db2.gz AMZMZTDCGDMTEZ-UHFFFAOYSA-N 1 0 337.427 2.752 40 0 EFABRO Cc1nccn1CC1(O)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000019288000 212011240 /nfs/dbraw/zinc/01/12/40/212011240.db2.gz IELDZEGULBXQPP-UHFFFAOYSA-N 1 0 336.439 2.767 40 0 EFABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019082709 212000326 /nfs/dbraw/zinc/00/03/26/212000326.db2.gz FTYXQYDGLFPITN-AWEZNQCLSA-N 1 0 330.476 2.607 40 0 EFABRO COc1ccc([C@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)cc1F ZINC000078441082 217052547 /nfs/dbraw/zinc/05/25/47/217052547.db2.gz UGPGNIVNXGCFRY-ZDUSSCGKSA-N 1 0 337.439 2.879 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000078394347 217046386 /nfs/dbraw/zinc/04/63/86/217046386.db2.gz RHQMOYNTFLDQEV-LBPRGKRZSA-N 1 0 329.897 2.606 40 0 EFABRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000078394453 217046690 /nfs/dbraw/zinc/04/66/90/217046690.db2.gz KLVLTFCGRHXIKQ-UHFFFAOYSA-N 1 0 346.500 2.794 40 0 EFABRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)CN(C)C)c2)ccc1F ZINC000078552323 217073608 /nfs/dbraw/zinc/07/36/08/217073608.db2.gz QJFSNGYPTUVPJB-UHFFFAOYSA-N 1 0 329.419 2.924 40 0 EFABRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnccn1 ZINC000078610612 217086340 /nfs/dbraw/zinc/08/63/40/217086340.db2.gz HRTRPXCONJJCQR-UHFFFAOYSA-N 1 0 344.846 2.772 40 0 EFABRO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3COCCO3)n2)c1 ZINC000078774539 217118269 /nfs/dbraw/zinc/11/82/69/217118269.db2.gz UVFYCABLBOBFBV-MRXNPFEDSA-N 1 0 329.400 2.810 40 0 EFABRO COc1cccc(NC2CC[NH+](CCC(=O)NC(C)(C)C)CC2)c1 ZINC000078923154 217149054 /nfs/dbraw/zinc/14/90/54/217149054.db2.gz CZEKALHMRZCUPK-UHFFFAOYSA-N 1 0 333.476 2.876 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2cccnc2)CCOCC1)c1ccccc1 ZINC000079096119 217191293 /nfs/dbraw/zinc/19/12/93/217191293.db2.gz DOWZHIRMJBDAGA-MRXNPFEDSA-N 1 0 339.439 2.711 40 0 EFABRO CSCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079311097 217207494 /nfs/dbraw/zinc/20/74/94/217207494.db2.gz GEJGNQVQKFTPHQ-ZDUSSCGKSA-N 1 0 332.391 2.759 40 0 EFABRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n2ncnc2n1 ZINC000110627409 220049927 /nfs/dbraw/zinc/04/99/27/220049927.db2.gz QJLQQKPCMNBFNY-XJKSGUPXSA-N 1 0 342.472 2.989 40 0 EFABRO CC(C)[N@H+](CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391719 217219504 /nfs/dbraw/zinc/21/95/04/217219504.db2.gz HCVVPJASAYKXQG-SFHVURJKSA-N 1 0 334.460 2.880 40 0 EFABRO O=C(OCc1ccccc1)N(C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000079411287 217221613 /nfs/dbraw/zinc/22/16/13/217221613.db2.gz DPUUHHOOVQEUHA-GOSISDBHSA-N 1 0 332.444 2.634 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](N(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410263 217222477 /nfs/dbraw/zinc/22/24/77/217222477.db2.gz FSVSGRVRPQLVRX-GJZGRUSLSA-N 1 0 341.496 2.606 40 0 EFABRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000110715268 220061094 /nfs/dbraw/zinc/06/10/94/220061094.db2.gz SGEJTEPXQJUNIM-TXPKVOOTSA-N 1 0 338.455 2.962 40 0 EFABRO Cc1ccc(CCCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000079545909 217239406 /nfs/dbraw/zinc/23/94/06/217239406.db2.gz COXMAWNJRZSUBJ-QGZVFWFLSA-N 1 0 349.544 2.618 40 0 EFABRO CC[N@H+](CCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000079995997 217270309 /nfs/dbraw/zinc/27/03/09/217270309.db2.gz ZBIQZEYWEDSIAM-UHFFFAOYSA-N 1 0 340.427 2.828 40 0 EFABRO C[C@H]1C[C@H](Nc2cnn(C)c(=O)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000080230948 217290351 /nfs/dbraw/zinc/29/03/51/217290351.db2.gz QOSYQRQEPYPZQG-DZGCQCFKSA-N 1 0 346.862 2.899 40 0 EFABRO Cc1ccoc1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000266168011 248145055 /nfs/dbraw/zinc/14/50/55/248145055.db2.gz BEFJXPLIBJSAFN-UHFFFAOYSA-N 1 0 348.468 2.839 40 0 EFABRO O=C(c1ccncc1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257213779 296271997 /nfs/dbraw/zinc/27/19/97/296271997.db2.gz CJAZQASPWCTZFG-SFHVURJKSA-N 1 0 337.423 2.640 40 0 EFABRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)cc1OC ZINC000012366566 211356571 /nfs/dbraw/zinc/35/65/71/211356571.db2.gz FJAUNPKSRMGRNF-NVXWUHKLSA-N 1 0 346.427 2.738 40 0 EFABRO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)C1CCCCC1 ZINC000012326004 211349973 /nfs/dbraw/zinc/34/99/73/211349973.db2.gz BMGFBCZRTZTXGB-UHFFFAOYSA-N 1 0 348.462 2.806 40 0 EFABRO CN(CC[NH+]1CCCCC1)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000012325915 211349394 /nfs/dbraw/zinc/34/93/94/211349394.db2.gz YNGMMAKVLIZOOY-UHFFFAOYSA-N 1 0 344.484 2.692 40 0 EFABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292460 211335696 /nfs/dbraw/zinc/33/56/96/211335696.db2.gz PVTATJMUURQHFF-LJQANCHMSA-N 1 0 345.414 2.851 40 0 EFABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000012239782 211328251 /nfs/dbraw/zinc/32/82/51/211328251.db2.gz JQHRPLQCKSVCPG-QGZVFWFLSA-N 1 0 346.471 2.771 40 0 EFABRO Cc1ccc2c(c1)CN(C(=O)[C@H]1C[C@@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000012228255 211325689 /nfs/dbraw/zinc/32/56/89/211325689.db2.gz LWECJDOWUPPAGW-RDJZCZTQSA-N 1 0 328.456 2.836 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1Cc1c(C)noc1C ZINC000012191763 211316004 /nfs/dbraw/zinc/31/60/04/211316004.db2.gz VUYJQZQKBOXBLB-MRXNPFEDSA-N 1 0 330.428 2.705 40 0 EFABRO O=C(N[C@@H]1CCCOC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012194318 211314866 /nfs/dbraw/zinc/31/48/66/211314866.db2.gz CMRVXOPMTZXGLS-MRXNPFEDSA-N 1 0 336.863 2.847 40 0 EFABRO COc1ccc(C[N@H+](C[C@@H]2CCOC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187172 211314344 /nfs/dbraw/zinc/31/43/44/211314344.db2.gz ODTFRTHVZFTDRK-YJBOKZPZSA-N 1 0 335.444 2.721 40 0 EFABRO COc1ccc(COC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000012172174 211311163 /nfs/dbraw/zinc/31/11/63/211311163.db2.gz PDGLJUZHLDWIOM-INMHGKMJSA-N 1 0 337.460 2.559 40 0 EFABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCC[NH2+]C1 ZINC000012157397 211309825 /nfs/dbraw/zinc/30/98/25/211309825.db2.gz YQRDHEBGMHUVLJ-CRAIPNDOSA-N 1 0 334.391 2.642 40 0 EFABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[NH2+]C1 ZINC000012157381 211309063 /nfs/dbraw/zinc/30/90/63/211309063.db2.gz HROBTYJZQSTEFW-UGSOOPFHSA-N 1 0 334.391 2.642 40 0 EFABRO CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CC[NH2+]CC1 ZINC000012157444 211309135 /nfs/dbraw/zinc/30/91/35/211309135.db2.gz HCJPCNIRVYXWKD-HNNXBMFYSA-N 1 0 334.391 2.642 40 0 EFABRO CCc1c(C)nc2cc(C3CCOCC3)nn2c1N[C@@H](C)C[NH+](C)C ZINC000012155435 211309153 /nfs/dbraw/zinc/30/91/53/211309153.db2.gz PJBBAYPPVGVXME-ZDUSSCGKSA-N 1 0 345.491 2.856 40 0 EFABRO Cc1nc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2[nH]1 ZINC000012147442 211307835 /nfs/dbraw/zinc/30/78/35/211307835.db2.gz YIAYELAYSDQMCB-OKILXGFUSA-N 1 0 328.460 2.969 40 0 EFABRO C[C@@H]1C[NH+](CC2CCN(c3nnc(C4CC4)s3)CC2)C[C@@H](C)O1 ZINC000091478101 218012074 /nfs/dbraw/zinc/01/20/74/218012074.db2.gz HPCXXIALRHJZDI-CHWSQXEVSA-N 1 0 336.505 2.741 40 0 EFABRO C[C@@H]1C[NH+](CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@@H](C)O1 ZINC000091478559 218012132 /nfs/dbraw/zinc/01/21/32/218012132.db2.gz AXMATYLRYYJTOV-GHMZBOCLSA-N 1 0 346.447 2.801 40 0 EFABRO Cc1ccc(OC2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)cc1C ZINC000091509653 218015431 /nfs/dbraw/zinc/01/54/31/218015431.db2.gz LSXTWQKJXHDYCV-SFHVURJKSA-N 1 0 332.488 2.867 40 0 EFABRO Cc1ccc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000091920465 218089701 /nfs/dbraw/zinc/08/97/01/218089701.db2.gz QSXGVNLGSYSZOR-OKILXGFUSA-N 1 0 336.501 2.904 40 0 EFABRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CO[C@@H]1CCC[C@H]1C)CC2 ZINC000010434947 211172042 /nfs/dbraw/zinc/17/20/42/211172042.db2.gz HZKWJLGDBRNGQP-ZTFGCOKTSA-N 1 0 349.471 2.628 40 0 EFABRO C[NH+](C)CCCNC(=S)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000010184421 211153235 /nfs/dbraw/zinc/15/32/35/211153235.db2.gz FGICKKMAUQCHRG-UHFFFAOYSA-N 1 0 345.516 2.569 40 0 EFABRO Cc1ccccc1C[n+]1ccc([C@@H](O)[C@@H]2Cn3cccc3C2=O)cc1 ZINC000009498957 211091790 /nfs/dbraw/zinc/09/17/90/211091790.db2.gz AUWRCNIWUAIITK-AZUAARDMSA-N 1 0 333.411 2.678 40 0 EFABRO CSC[C@H]1CCC[N@@H+]1Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000093761661 218246965 /nfs/dbraw/zinc/24/69/65/218246965.db2.gz XJSNCNUTARILKG-GOSISDBHSA-N 1 0 347.528 2.683 40 0 EFABRO O=S1(=O)CC[C@@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000008880121 211014286 /nfs/dbraw/zinc/01/42/86/211014286.db2.gz WBXBKQBYDZUJCB-GFCCVEGCSA-N 1 0 341.379 2.718 40 0 EFABRO O=C1[C@@H]([NH2+]CC2=CCCOC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000095428181 218369721 /nfs/dbraw/zinc/36/97/21/218369721.db2.gz BSZBSGILDGPRLE-HNNXBMFYSA-N 1 0 340.345 2.747 40 0 EFABRO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095422520 218365146 /nfs/dbraw/zinc/36/51/46/218365146.db2.gz UHWLZPFAXRIWMN-OCCSQVGLSA-N 1 0 343.393 2.741 40 0 EFABRO Cc1nc(C)c(CNc2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000095428972 218372138 /nfs/dbraw/zinc/37/21/38/218372138.db2.gz HIOOYKBSURIPHV-INIZCTEOSA-N 1 0 344.484 2.822 40 0 EFABRO Cc1cc(C)nc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000095429657 218372884 /nfs/dbraw/zinc/37/28/84/218372884.db2.gz SIPNVGMVJUMWMM-UHFFFAOYSA-N 1 0 326.444 2.662 40 0 EFABRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccnc(-n3ccnc3)c1)CC2 ZINC000095435740 218378132 /nfs/dbraw/zinc/37/81/32/218378132.db2.gz WNXFHCICRMQOFD-GOSISDBHSA-N 1 0 334.423 2.923 40 0 EFABRO Cc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)o1 ZINC000096061045 218555083 /nfs/dbraw/zinc/55/50/83/218555083.db2.gz DAIGTNGNKXWZRV-AWEZNQCLSA-N 1 0 330.413 2.597 40 0 EFABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccncc2F)COC1 ZINC000096112820 218609478 /nfs/dbraw/zinc/60/94/78/218609478.db2.gz DEEHXJSPXKHZAQ-AWEZNQCLSA-N 1 0 326.375 2.740 40 0 biogenic,in-vitro EFABRO O=C1COC2(CC[NH+](Cc3cccnc3)CC2)CN1c1ccsc1 ZINC000096159160 218634724 /nfs/dbraw/zinc/63/47/24/218634724.db2.gz QRMCMTZLZOLGDA-UHFFFAOYSA-N 1 0 343.452 2.541 40 0 EFABRO Cc1ccsc1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196867 218664807 /nfs/dbraw/zinc/66/48/07/218664807.db2.gz PQPCNYGZIQOCHW-UHFFFAOYSA-N 1 0 344.484 2.547 40 0 EFABRO CO[C@H]1CCN(C(=O)c2ccsc2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096217911 218692877 /nfs/dbraw/zinc/69/28/77/218692877.db2.gz JVFLOTWOXFFLDZ-BBWFWOEESA-N 1 0 346.452 2.703 40 0 EFABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1cc3ccccc3s1)C2 ZINC000096219833 218695960 /nfs/dbraw/zinc/69/59/60/218695960.db2.gz NOFCCXCZAZOCSF-DNVCBOLYSA-N 1 0 344.480 2.942 40 0 EFABRO Cc1cccc(CO[C@H]2COC3(C2)CC[NH+](C2CCOCC2)CC3)n1 ZINC000096217162 218691425 /nfs/dbraw/zinc/69/14/25/218691425.db2.gz MGDRUUJEELKOIL-LJQANCHMSA-N 1 0 346.471 2.709 40 0 EFABRO Cc1nc(CN2C(=O)CCC23CC[NH+](C2CCOCC2)CC3)cs1 ZINC000096228184 218704648 /nfs/dbraw/zinc/70/46/48/218704648.db2.gz YLXUKAQZCXPYDM-UHFFFAOYSA-N 1 0 349.500 2.588 40 0 EFABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000096261193 218730230 /nfs/dbraw/zinc/73/02/30/218730230.db2.gz FRTGUQZQBOEASP-SJLPKXTDSA-N 1 0 328.456 2.503 40 0 EFABRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000096461193 218843916 /nfs/dbraw/zinc/84/39/16/218843916.db2.gz CFEDBTFJOMXERG-CKNGIIGNSA-N 1 0 336.501 2.597 40 0 EFABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)c1ccc2c(c1)OCCO2 ZINC000004969013 210343382 /nfs/dbraw/zinc/34/33/82/210343382.db2.gz PQDVZVCVYSYBNV-UHFFFAOYSA-N 1 0 344.455 2.591 40 0 EFABRO O=c1[nH]c(NC2CC[NH+](C3CCCCC3)CC2)nc2c1CCCC2 ZINC000004906112 210319089 /nfs/dbraw/zinc/31/90/89/210319089.db2.gz ZZUWZUDEYWTOSW-UHFFFAOYSA-N 1 0 330.476 2.858 40 0 EFABRO COCCCNC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004886034 210311975 /nfs/dbraw/zinc/31/19/75/210311975.db2.gz ALTXFSRSHBYPCL-AYHJJNSGSA-N 1 0 347.528 2.683 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCn2ccnc2)cc1 ZINC000097375024 219018095 /nfs/dbraw/zinc/01/80/95/219018095.db2.gz KOOADZUSHYLTKD-QZTJIDSGSA-N 1 0 347.484 2.566 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCn2ccnc2)cc1 ZINC000097375023 219018400 /nfs/dbraw/zinc/01/84/00/219018400.db2.gz KOOADZUSHYLTKD-ROUUACIJSA-N 1 0 347.484 2.566 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000097378893 219019888 /nfs/dbraw/zinc/01/98/88/219019888.db2.gz PQIPRVZOMOXOTK-BEFAXECRSA-N 1 0 348.450 2.742 40 0 EFABRO COC(=O)[C@H]1C[C@@]23C=C[NH2+][C@@H]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]43 ZINC000005003942 291937054 /nfs/dbraw/zinc/93/70/54/291937054.db2.gz CMPWHNRHOAEHMK-ZUJMYCCLSA-N 1 0 336.435 2.813 40 0 EFABRO O=C(NCc1ccncc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039752617 257854732 /nfs/dbraw/zinc/85/47/32/257854732.db2.gz ORVSTBQPHMLHLQ-UHFFFAOYSA-N 1 0 327.403 2.749 40 0 EFABRO Cc1cc(CN2Cc3ccnn3[C@H](CC[NH+]3CCCCC3)C2)no1 ZINC000306138148 257922969 /nfs/dbraw/zinc/92/29/69/257922969.db2.gz RQRBXOBKCJPARP-GOSISDBHSA-N 1 0 329.448 2.612 40 0 EFABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)Cc2cccnc2)n1 ZINC000257237731 292022053 /nfs/dbraw/zinc/02/20/53/292022053.db2.gz HHWZLZOXTQVODS-KRWDZBQOSA-N 1 0 335.411 2.729 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2)CC1 ZINC000006517661 135674606 /nfs/dbraw/zinc/67/46/06/135674606.db2.gz RCOWJPFGWCVILS-UHFFFAOYSA-N 1 0 348.516 2.688 40 0 EFABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037860 286181160 /nfs/dbraw/zinc/18/11/60/286181160.db2.gz LJBXAPWNYOTERF-GBESFXJTSA-N 1 0 345.464 2.608 40 0 EFABRO O=C([C@H]1CCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294288 304435860 /nfs/dbraw/zinc/43/58/60/304435860.db2.gz ZQHYMPOAWVGUSP-MANSERQUSA-N 1 0 346.446 2.831 40 0 EFABRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1N(C)C ZINC000078048054 287144489 /nfs/dbraw/zinc/14/44/89/287144489.db2.gz LHNWGZXZTFNMOT-AWEZNQCLSA-N 1 0 347.484 2.593 40 0 EFABRO O=C(NC[C@H]1CC=CCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000096487009 544558519 /nfs/dbraw/zinc/55/85/19/544558519.db2.gz QRBFSADNDKLRRE-KRWDZBQOSA-N 1 0 342.483 2.977 40 0 EFABRO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000097230744 272998783 /nfs/dbraw/zinc/99/87/83/272998783.db2.gz UQHTZLCAWPDXFW-AWEZNQCLSA-N 1 0 331.865 2.584 40 0 EFABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000105524839 274035772 /nfs/dbraw/zinc/03/57/72/274035772.db2.gz SCWCCVCIDWXQJS-UHFFFAOYSA-N 1 0 340.423 2.806 40 0 EFABRO COc1cc2cccnc2c(NC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000004522433 274103173 /nfs/dbraw/zinc/10/31/73/274103173.db2.gz YCWCNAAVGPTVAY-GDBMZVCRSA-N 1 0 329.444 2.891 40 0 EFABRO COc1cccc(C[NH2+]C[C@H]2COCc3nc4ccc(C)cc4n32)n1 ZINC000096112836 274146483 /nfs/dbraw/zinc/14/64/83/274146483.db2.gz MMKYNYWEJYJMOA-HNNXBMFYSA-N 1 0 338.411 2.609 40 0 biogenic,in-vitro EFABRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000022787572 274161372 /nfs/dbraw/zinc/16/13/72/274161372.db2.gz WIVRCHJUARYGOA-ZBFHGGJFSA-N 1 0 345.443 2.898 40 0 EFABRO O=C1C[C@@]2(CC[N@@H+](C3CCOCC3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239072 275019987 /nfs/dbraw/zinc/01/99/87/275019987.db2.gz FTPQSFZGTLZNIJ-GOSISDBHSA-N 1 0 336.382 2.573 40 0 EFABRO CC(=O)N(C)[C@@H]1CCOC2(CC[NH+](CCc3ccccc3)CC2)C1 ZINC000257247705 275444953 /nfs/dbraw/zinc/44/49/53/275444953.db2.gz JACGBHGTCSCNRV-LJQANCHMSA-N 1 0 330.472 2.721 40 0 EFABRO CC[NH+]1CCC2(C[C@@H](CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000096161256 276152319 /nfs/dbraw/zinc/15/23/19/276152319.db2.gz GGMULQZVHHOTKV-QGZVFWFLSA-N 1 0 342.483 2.776 40 0 EFABRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000191080033 276179735 /nfs/dbraw/zinc/17/97/35/276179735.db2.gz KRLFEBASHXAORQ-GBESFXJTSA-N 1 0 333.520 2.607 40 0 EFABRO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1cccs1)CC2 ZINC000013566598 276255203 /nfs/dbraw/zinc/25/52/03/276255203.db2.gz IMNKZUWMOPGNCN-UHFFFAOYSA-N 1 0 342.468 2.705 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000076472125 276383870 /nfs/dbraw/zinc/38/38/70/276383870.db2.gz WEMFGYJMXZCRSH-QUCCMNQESA-N 1 0 343.515 2.666 40 0 EFABRO C[N@@H+]1CCC[C@@]2(CN(C(=O)c3ccccc3C(F)(F)F)CCO2)C1 ZINC000063527669 277085308 /nfs/dbraw/zinc/08/53/08/277085308.db2.gz SUESVJBFXPQTLJ-INIZCTEOSA-N 1 0 342.361 2.642 40 0 EFABRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ncccc2OC)cc1 ZINC000253418367 277933424 /nfs/dbraw/zinc/93/34/24/277933424.db2.gz MZZOMSZDCBSXNK-HNNXBMFYSA-N 1 0 344.415 2.523 40 0 EFABRO CC(=O)N1CCC2(CC1)C[C@H]([NH2+]C1CCOCC1)c1ccccc1O2 ZINC000096079710 277984291 /nfs/dbraw/zinc/98/42/91/277984291.db2.gz XGBXHXOPRBLTMV-SFHVURJKSA-N 1 0 344.455 2.660 40 0 EFABRO Cc1ccc(CCC2CC[NH+](CCN3C(=O)CCC3=O)CC2)cc1 ZINC000032765360 278800985 /nfs/dbraw/zinc/80/09/85/278800985.db2.gz UEJBZBFQTKLLDY-UHFFFAOYSA-N 1 0 328.456 2.789 40 0 EFABRO FC(F)(F)c1cccnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000096429489 279444443 /nfs/dbraw/zinc/44/44/43/279444443.db2.gz ITYAZMJOMWQXCY-CYBMUJFWSA-N 1 0 329.366 2.649 40 0 EFABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cncs2)cc1 ZINC000257257925 279728494 /nfs/dbraw/zinc/72/84/94/279728494.db2.gz KRRHDIKFJSPJKO-HNNXBMFYSA-N 1 0 331.441 2.717 40 0 EFABRO CCO[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCCC2 ZINC000096493345 279869058 /nfs/dbraw/zinc/86/90/58/279869058.db2.gz INSFHJXLXNRJRT-JKSUJKDBSA-N 1 0 332.492 2.874 40 0 EFABRO CCS[C@H]1CCCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000096435373 280054806 /nfs/dbraw/zinc/05/48/06/280054806.db2.gz IQKFFNMATVBTDF-AWEZNQCLSA-N 1 0 339.509 2.584 40 0 EFABRO Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108535274 281343075 /nfs/dbraw/zinc/34/30/75/281343075.db2.gz WXVHDLVGGNZRIS-SFTDATJTSA-N 1 0 337.467 2.865 40 0 EFABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181024 288806377 /nfs/dbraw/zinc/80/63/77/288806377.db2.gz XYHKPTLJDNZHQN-KUHUBIRLSA-N 1 0 328.456 2.894 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096200843 289316311 /nfs/dbraw/zinc/31/63/11/289316311.db2.gz IEHIBJQZODGIJE-MSOLQXFVSA-N 1 0 327.403 2.608 40 0 EFABRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000195555537 290058601 /nfs/dbraw/zinc/05/86/01/290058601.db2.gz YTRFPJBQKVLZHG-NOLJZWGESA-N 1 0 334.464 2.645 40 0 EFABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC000072374043 290258078 /nfs/dbraw/zinc/25/80/78/290258078.db2.gz FIILQRLIDSYAFL-MRXNPFEDSA-N 1 0 345.491 2.748 40 0 EFABRO COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CC[NH2+]CC1 ZINC000257238032 295307664 /nfs/dbraw/zinc/30/76/64/295307664.db2.gz HJIKJEMZWYGJRU-UHFFFAOYSA-N 1 0 342.443 2.694 40 0 EFABRO C[C@H](C(=O)N1CCC2(CC1)OCC(C)(C)CO2)[NH+]1CCCCCC1 ZINC000096436303 298009550 /nfs/dbraw/zinc/00/95/50/298009550.db2.gz DDZCVFSUCMKKLX-MRXNPFEDSA-N 1 0 338.492 2.643 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000253369529 302675140 /nfs/dbraw/zinc/67/51/40/302675140.db2.gz DSKPNXWXOUYROV-AEGPPILISA-N 1 0 349.479 2.799 40 0 EFABRO CCOC(=O)C1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCCC1 ZINC000578772039 320238782 /nfs/dbraw/zinc/23/87/82/320238782.db2.gz LERVYDRSDPLRLH-UHFFFAOYSA-N 1 0 332.444 2.853 40 0 EFABRO CCN(CC)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1 ZINC000097095408 323213249 /nfs/dbraw/zinc/21/32/49/323213249.db2.gz OTAKVHUJPFNYFQ-UHFFFAOYSA-N 1 0 337.411 2.879 40 0 EFABRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234348 323213724 /nfs/dbraw/zinc/21/37/24/323213724.db2.gz BQKIJFBCRAWMNP-DOTOQJQBSA-N 1 0 331.464 2.663 40 0 EFABRO CC1(C(=O)Nc2ccnc3ccnn32)CC[NH+](Cc2ccccc2)CC1 ZINC000097103215 323213729 /nfs/dbraw/zinc/21/37/29/323213729.db2.gz DMKRNLUBBLUBDX-UHFFFAOYSA-N 1 0 349.438 2.970 40 0 EFABRO c1cnn(-c2cccc(C[NH+]3CCN(Cc4ccncc4)CC3)c2)c1 ZINC000097234698 323213908 /nfs/dbraw/zinc/21/39/08/323213908.db2.gz XPIXEZNUOORVAL-UHFFFAOYSA-N 1 0 333.439 2.585 40 0 EFABRO CN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCOC1 ZINC000106943606 323215236 /nfs/dbraw/zinc/21/52/36/323215236.db2.gz LTVWDWIWSQUQQI-KRWDZBQOSA-N 1 0 349.500 2.531 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000130014974 323218100 /nfs/dbraw/zinc/21/81/00/323218100.db2.gz SRQYMDYHKMGIIY-AWEZNQCLSA-N 1 0 344.484 2.903 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000130015205 323218113 /nfs/dbraw/zinc/21/81/13/323218113.db2.gz SRQYMDYHKMGIIY-CQSZACIVSA-N 1 0 344.484 2.903 40 0 EFABRO Cc1ccc(-c2nc(SCCCN3CC[NH+](C)CC3)n[nH]2)cc1 ZINC000130053467 323218276 /nfs/dbraw/zinc/21/82/76/323218276.db2.gz BVDPFZPLLHRPLZ-UHFFFAOYSA-N 1 0 331.489 2.510 40 0 EFABRO CCN(C(=O)NCc1cc(C)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184609708 323370171 /nfs/dbraw/zinc/37/01/71/323370171.db2.gz DWGHPHDHCYCWFD-QGZVFWFLSA-N 1 0 342.443 2.789 40 0 EFABRO C[C@@H]1C[NH+](CCCCNC(=O)N(C)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000190776007 323462343 /nfs/dbraw/zinc/46/23/43/323462343.db2.gz WOVYAIWTKCATRS-HUUCEWRRSA-N 1 0 337.439 2.861 40 0 EFABRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCCSC3)cc2)C[C@H](C)O1 ZINC000195558488 323529180 /nfs/dbraw/zinc/52/91/80/323529180.db2.gz BARYONQRSUIQQI-DAYGRLMNSA-N 1 0 348.512 2.921 40 0 EFABRO COc1cc(CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000095460440 473209016 /nfs/dbraw/zinc/20/90/16/473209016.db2.gz AWTRXSYEDDBVOF-MRXNPFEDSA-N 1 0 349.450 2.504 40 0 EFABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(Cc1ccccc1)CC2 ZINC000095951349 473228529 /nfs/dbraw/zinc/22/85/29/473228529.db2.gz LUPMAGUQDYONAN-YPAWHYETSA-N 1 0 349.478 2.728 40 0 biogenic EFABRO CN1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccccc21 ZINC000081670831 473241712 /nfs/dbraw/zinc/24/17/12/473241712.db2.gz CBOQGWAXYLBAKB-UHFFFAOYSA-N 1 0 342.418 2.689 40 0 EFABRO O=C(Cc1cccs1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096038568 473258111 /nfs/dbraw/zinc/25/81/11/473258111.db2.gz RGBWDKHDGVTFEF-IRXDYDNUSA-N 1 0 327.453 2.561 40 0 EFABRO c1cncc(OC[C@@]23CCCO[C@@H]2CC[N@H+](CC2CCOCC2)C3)c1 ZINC000096040058 473259558 /nfs/dbraw/zinc/25/95/58/473259558.db2.gz YXNOUDZYINEKGT-UXHICEINSA-N 1 0 346.471 2.758 40 0 EFABRO O=C([C@H]1CO[C@H]2CC[N@@H+](Cc3ccccc3F)C[C@H]2C1)N1CCCC1 ZINC000096042648 473265603 /nfs/dbraw/zinc/26/56/03/473265603.db2.gz TYGFDTKWXRQYJZ-LMMKCTJWSA-N 1 0 346.446 2.675 40 0 EFABRO c1csc(CN2CCC3(CC[N@@H+](CC4CCOCC4)C3)CC2)n1 ZINC000096046623 473266685 /nfs/dbraw/zinc/26/66/85/473266685.db2.gz VJJPHSQDIYPYNB-UHFFFAOYSA-N 1 0 335.517 2.858 40 0 EFABRO CC[C@H]1[N@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2CCOC ZINC000096045695 473267942 /nfs/dbraw/zinc/26/79/42/473267942.db2.gz YLJARHDOFMXADX-MJGOQNOKSA-N 1 0 334.460 2.970 40 0 EFABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096047524 473268272 /nfs/dbraw/zinc/26/82/72/473268272.db2.gz LDQJDBITOCWNHG-LJQANCHMSA-N 1 0 334.435 2.819 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cn1 ZINC000096047012 473268524 /nfs/dbraw/zinc/26/85/24/473268524.db2.gz FNGWZFIWXMICTM-SFHVURJKSA-N 1 0 344.484 2.610 40 0 EFABRO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC000096048022 473269182 /nfs/dbraw/zinc/26/91/82/473269182.db2.gz RJAOKRDHQMQYCT-MRXNPFEDSA-N 1 0 344.411 2.768 40 0 EFABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096047114 473269544 /nfs/dbraw/zinc/26/95/44/473269544.db2.gz BQTBPFDKSGTAJX-FQEVSTJZSA-N 1 0 339.439 2.732 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)o1 ZINC000096048173 473271017 /nfs/dbraw/zinc/27/10/17/473271017.db2.gz JVDSJSRNWQILQD-QGZVFWFLSA-N 1 0 346.471 2.972 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096048347 473271232 /nfs/dbraw/zinc/27/12/32/473271232.db2.gz IVEJELFOAQESEA-MAUKXSAKSA-N 1 0 328.416 2.614 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096048258 473271285 /nfs/dbraw/zinc/27/12/85/473271285.db2.gz MJCZYAHKRRAABW-OALUTQOASA-N 1 0 325.412 2.679 40 0 EFABRO c1coc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)c1 ZINC000096048929 473271478 /nfs/dbraw/zinc/27/14/78/473271478.db2.gz AJJYCZSRZFOBNS-UHFFFAOYSA-N 1 0 327.428 2.542 40 0 EFABRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC000096048596 473271517 /nfs/dbraw/zinc/27/15/17/473271517.db2.gz MTCGWDNPIHAOMY-SJLPKXTDSA-N 1 0 344.484 2.798 40 0 EFABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)nn1 ZINC000096048440 473271537 /nfs/dbraw/zinc/27/15/37/473271537.db2.gz NQBVHPHEFQBGNR-AEFFLSMTSA-N 1 0 328.416 2.614 40 0 EFABRO Cc1cccc(CN2CC[C@]3(CCC[N@H+](Cc4ccco4)C3)C2=O)n1 ZINC000096048786 473272108 /nfs/dbraw/zinc/27/21/08/473272108.db2.gz XRBFRNVMGXOUAI-FQEVSTJZSA-N 1 0 339.439 2.998 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048352 473272240 /nfs/dbraw/zinc/27/22/40/473272240.db2.gz IYOXGKSTFBAMBO-MJGOQNOKSA-N 1 0 342.418 2.851 40 0 EFABRO O=C1C[C@]2(CC[N@H+](Cc3cccnc3)C2)CN1c1cccc(F)c1 ZINC000096050731 473273258 /nfs/dbraw/zinc/27/32/58/473273258.db2.gz PGFAWJPIUUZKFQ-IBGZPJMESA-N 1 0 325.387 2.850 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)o1 ZINC000096050214 473273858 /nfs/dbraw/zinc/27/38/58/473273858.db2.gz PUFZJZAAHMGRBA-FQEVSTJZSA-N 1 0 339.439 2.511 40 0 EFABRO Cc1ccc(N2C[C@@]3(CC[N@H+](CC4CCOCC4)C3)CC2=O)s1 ZINC000096050886 473273918 /nfs/dbraw/zinc/27/39/18/473273918.db2.gz IDWGLQFNYAIOIG-SFHVURJKSA-N 1 0 334.485 2.912 40 0 EFABRO CNC(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053289 473275081 /nfs/dbraw/zinc/27/50/81/473275081.db2.gz HXUIQKUFWQKUEW-MRXNPFEDSA-N 1 0 328.456 2.933 40 0 EFABRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3Cc2cccs2)n1 ZINC000096054034 473275863 /nfs/dbraw/zinc/27/58/63/473275863.db2.gz MATFEKDINOZCKM-IRXDYDNUSA-N 1 0 327.453 2.827 40 0 EFABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2ccco2)CC3)c1 ZINC000096051685 473276149 /nfs/dbraw/zinc/27/61/49/473276149.db2.gz UIAZVRLCWFCXRB-KRWDZBQOSA-N 1 0 327.428 2.793 40 0 EFABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052125 473276177 /nfs/dbraw/zinc/27/61/77/473276177.db2.gz SSJGZSOELUWJAD-MRXNPFEDSA-N 1 0 334.485 2.503 40 0 EFABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096051586 473276944 /nfs/dbraw/zinc/27/69/44/473276944.db2.gz YCUOXXRMZPZGMA-QGZVFWFLSA-N 1 0 340.427 2.586 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096055121 473277732 /nfs/dbraw/zinc/27/77/32/473277732.db2.gz OUPCXOYGLAYPHJ-ROUUACIJSA-N 1 0 329.469 2.618 40 0 EFABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096055908 473277842 /nfs/dbraw/zinc/27/78/42/473277842.db2.gz OCPRLCBKUUVAJE-PXNSSMCTSA-N 1 0 345.487 2.567 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)o1 ZINC000096055084 473278681 /nfs/dbraw/zinc/27/86/81/473278681.db2.gz GJNBJGJWLCNZOD-AZUAARDMSA-N 1 0 341.455 2.767 40 0 EFABRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)n1 ZINC000096055074 473278704 /nfs/dbraw/zinc/27/87/04/473278704.db2.gz QZYJRGYUHLKPJL-RTBURBONSA-N 1 0 343.496 2.927 40 0 EFABRO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccsc3)[C@@H]3COC[C@H]23)cs1 ZINC000096055877 473279007 /nfs/dbraw/zinc/27/90/07/473279007.db2.gz CQHDAAKUVLOSLU-ARFHVFGLSA-N 1 0 336.482 2.929 40 0 EFABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096055900 473279259 /nfs/dbraw/zinc/27/92/59/473279259.db2.gz FOXSLWBHUFNJGD-HKUYNNGSSA-N 1 0 334.460 2.765 40 0 EFABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)s1 ZINC000096055275 473279340 /nfs/dbraw/zinc/27/93/40/473279340.db2.gz WLEBBYSTXLBLCK-HYVNUMGLSA-N 1 0 345.468 2.905 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)o1 ZINC000096058096 473280180 /nfs/dbraw/zinc/28/01/80/473280180.db2.gz LPGMULJPPUHMBM-OTWHNJEPSA-N 1 0 328.412 2.932 40 0 EFABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC000096056640 473280693 /nfs/dbraw/zinc/28/06/93/473280693.db2.gz RUTUMGDJWNPMHI-RTBURBONSA-N 1 0 336.439 2.551 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)cc1 ZINC000096057356 473281251 /nfs/dbraw/zinc/28/12/51/473281251.db2.gz UPODZLHYGFTDAF-ZACQAIPSSA-N 1 0 329.400 2.881 40 0 EFABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccncc2)n1 ZINC000096056641 473281533 /nfs/dbraw/zinc/28/15/33/473281533.db2.gz WETHQZZQQDDDIV-RTBURBONSA-N 1 0 336.439 2.551 40 0 EFABRO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)CC1 ZINC000096057534 473282013 /nfs/dbraw/zinc/28/20/13/473282013.db2.gz YVCBGNDQAKDKFP-KZNAEPCWSA-N 1 0 332.444 2.660 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096058256 473283109 /nfs/dbraw/zinc/28/31/09/473283109.db2.gz KZSWZDJEYBFUBB-IXDOHACOSA-N 1 0 334.485 2.501 40 0 EFABRO c1csc(C[NH2+]C[C@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC000096059783 473284166 /nfs/dbraw/zinc/28/41/66/473284166.db2.gz PJXMZGOWVAVKKY-QGZVFWFLSA-N 1 0 340.452 2.792 40 0 EFABRO CCOC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cn(CC3CC3)nc21 ZINC000096059978 473284204 /nfs/dbraw/zinc/28/42/04/473284204.db2.gz QSCGKVRVWDNXTM-SFHVURJKSA-N 1 0 333.476 2.655 40 0 EFABRO O=C1C[C@H](c2ccncc2)C2(CC[NH+](Cc3ccc(F)cc3)CC2)N1 ZINC000096061547 473285333 /nfs/dbraw/zinc/28/53/33/473285333.db2.gz LNQZWAYDGQKROV-GOSISDBHSA-N 1 0 339.414 2.859 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)o1 ZINC000096061376 473285756 /nfs/dbraw/zinc/28/57/56/473285756.db2.gz CXTRFFNPXNPWJU-QGZVFWFLSA-N 1 0 325.412 2.621 40 0 EFABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CC1CCOCC1)CC2 ZINC000096061449 473286049 /nfs/dbraw/zinc/28/60/49/473286049.db2.gz FTAHZKBHWCWGGY-IBGZPJMESA-N 1 0 342.483 2.894 40 0 EFABRO COc1ccc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2ccncc2)cc1 ZINC000096061734 473286074 /nfs/dbraw/zinc/28/60/74/473286074.db2.gz FFAIUXQEZHIUJR-UXHICEINSA-N 1 0 325.456 2.837 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1C[N@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065593 473287602 /nfs/dbraw/zinc/28/76/02/473287602.db2.gz YNFCZTWPZLWNMA-YESZJQIVSA-N 1 0 343.452 2.619 40 0 EFABRO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@H+](C)Cc1cccnc1 ZINC000096063718 473288195 /nfs/dbraw/zinc/28/81/95/473288195.db2.gz PSMGYCXHCXOEDX-IQRFUGTFSA-N 1 0 327.472 2.797 40 0 EFABRO COCCC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071057 473288771 /nfs/dbraw/zinc/28/87/71/473288771.db2.gz WSZALTBSWHEWAK-SFHVURJKSA-N 1 0 336.863 2.943 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)o1 ZINC000096069568 473289328 /nfs/dbraw/zinc/28/93/28/473289328.db2.gz JGYWKVVJVAFMQJ-GOSISDBHSA-N 1 0 339.439 2.875 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)N(C)C)C3)cc1 ZINC000096071592 473289590 /nfs/dbraw/zinc/28/95/90/473289590.db2.gz IKPKOMHGDZADFN-LJQANCHMSA-N 1 0 331.460 2.665 40 0 EFABRO CC(C)Nc1nc2c(c(NC(C)C)n1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096083844 473293432 /nfs/dbraw/zinc/29/34/32/473293432.db2.gz XWRITROSWQMLIS-HNNXBMFYSA-N 1 0 347.507 2.554 40 0 EFABRO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096100142 473295840 /nfs/dbraw/zinc/29/58/40/473295840.db2.gz KDERMUPODSJSTH-LJQANCHMSA-N 1 0 325.412 2.803 40 0 EFABRO O=C(c1ccncc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096100630 473296777 /nfs/dbraw/zinc/29/67/77/473296777.db2.gz BWBWBXDAQQUCDI-HXUWFJFHSA-N 1 0 336.439 2.605 40 0 EFABRO c1ccc(C[NH+]2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)nc1 ZINC000096106960 473298261 /nfs/dbraw/zinc/29/82/61/473298261.db2.gz JQQJGLJHHICXCQ-KRWDZBQOSA-N 1 0 325.412 2.679 40 0 EFABRO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1)C2 ZINC000096107565 473299812 /nfs/dbraw/zinc/29/98/12/473299812.db2.gz FVUCJSTVWAOMGA-LPHOPBHVSA-N 1 0 343.402 2.818 40 0 EFABRO O=C1[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107136 473300453 /nfs/dbraw/zinc/30/04/53/473300453.db2.gz VUDLVBBIKDMDHK-CVEARBPZSA-N 1 0 332.425 2.595 40 0 EFABRO c1ccc(O[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096107529 473300476 /nfs/dbraw/zinc/30/04/76/473300476.db2.gz LGLCLGZYKHELCR-HKUYNNGSSA-N 1 0 325.412 2.679 40 0 EFABRO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096107337 473300621 /nfs/dbraw/zinc/30/06/21/473300621.db2.gz YSSJDDZZQRIEKR-UXHICEINSA-N 1 0 346.471 2.648 40 0 EFABRO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cs1 ZINC000096107623 473300705 /nfs/dbraw/zinc/30/07/05/473300705.db2.gz LALZZKRGCDTXNQ-IRXDYDNUSA-N 1 0 334.441 2.995 40 0 EFABRO CO[C@@H]1CCN(Cc2ccc(C)o2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108575 473301336 /nfs/dbraw/zinc/30/13/36/473301336.db2.gz TXGUSPBJKYSCER-XUVXKRRUSA-N 1 0 341.455 2.704 40 0 EFABRO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096109165 473301383 /nfs/dbraw/zinc/30/13/83/473301383.db2.gz UOKQQYTZZOMQDV-APWZRJJASA-N 1 0 334.435 2.533 40 0 EFABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cc1 ZINC000096108822 473302455 /nfs/dbraw/zinc/30/24/55/473302455.db2.gz IHULOPOVZIGPRE-XLIONFOSSA-N 1 0 340.423 2.618 40 0 EFABRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185020934 473302965 /nfs/dbraw/zinc/30/29/65/473302965.db2.gz FGIWKPACTQNWSC-AWEZNQCLSA-N 1 0 337.427 2.916 40 0 EFABRO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096110439 473303394 /nfs/dbraw/zinc/30/33/94/473303394.db2.gz UABKALQURZXLTD-MJGOQNOKSA-N 1 0 343.402 2.676 40 0 EFABRO COc1ncccc1C[NH2+]C[C@H]1COCc2nc3cc(C)ccc3n21 ZINC000096112821 473305131 /nfs/dbraw/zinc/30/51/31/473305131.db2.gz KINMROOETBNGAG-HNNXBMFYSA-N 1 0 338.411 2.609 40 0 biogenic,in-vitro EFABRO CS[C@@H]1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000162175265 473312363 /nfs/dbraw/zinc/31/23/63/473312363.db2.gz TZYUFVILGXCPOO-XQQFMLRXSA-N 1 0 343.290 2.849 40 0 EFABRO CN(c1ccc2ccc(C(=O)NCC[NH+](C)C)cn21)c1ccccc1 ZINC000096146174 473312969 /nfs/dbraw/zinc/31/29/69/473312969.db2.gz AFQBDFRQCIJPTN-UHFFFAOYSA-N 1 0 336.439 2.999 40 0 EFABRO CCN(CC)c1ccc2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cn21 ZINC000096146198 473313432 /nfs/dbraw/zinc/31/34/32/473313432.db2.gz LIRMIJUIAXEMBU-KRWDZBQOSA-N 1 0 328.460 2.562 40 0 EFABRO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096158185 473318062 /nfs/dbraw/zinc/31/80/62/473318062.db2.gz CHMNAZQDJSLTCR-SFHVURJKSA-N 1 0 342.468 2.666 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096158146 473318623 /nfs/dbraw/zinc/31/86/23/473318623.db2.gz YVRDXDVJPXFRBG-HXUWFJFHSA-N 1 0 336.439 2.605 40 0 EFABRO COc1ncccc1C[N@@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159541 473320464 /nfs/dbraw/zinc/32/04/64/473320464.db2.gz NKRCUQZKMWFTOO-GOSISDBHSA-N 1 0 343.452 2.781 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186128 473326221 /nfs/dbraw/zinc/32/62/21/473326221.db2.gz RYUXWTXWAILVHM-AABGKKOBSA-N 1 0 339.439 2.815 40 0 EFABRO Cc1ccc(CN2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C)C2)s1 ZINC000096185669 473326525 /nfs/dbraw/zinc/32/65/25/473326525.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 1 0 330.501 2.848 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096186978 473329191 /nfs/dbraw/zinc/32/91/91/473329191.db2.gz HUJYXOGRZGHFNK-ZACQAIPSSA-N 1 0 346.452 2.779 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)cc1 ZINC000096186331 473329544 /nfs/dbraw/zinc/32/95/44/473329544.db2.gz GYRILKJOYVOLOZ-PMACEKPBSA-N 1 0 342.483 2.987 40 0 EFABRO O=c1ccc2c(n1Cc1ccncc1)CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000096196608 473332775 /nfs/dbraw/zinc/33/27/75/473332775.db2.gz SVUNENMUBZABJR-QGZVFWFLSA-N 1 0 335.407 2.532 40 0 EFABRO COCCO[C@@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096200072 473335010 /nfs/dbraw/zinc/33/50/10/473335010.db2.gz GKWYEGIZWCSCTL-DLBZAZTESA-N 1 0 332.469 2.992 40 0 EFABRO Cc1nc(CN2CC[N@H+](C[C@@H]3CCOC3)Cc3cccnc32)cs1 ZINC000096198957 473335424 /nfs/dbraw/zinc/33/54/24/473335424.db2.gz QELUBOHZKLFBBU-HNNXBMFYSA-N 1 0 344.484 2.705 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)o1 ZINC000096199705 473335825 /nfs/dbraw/zinc/33/58/25/473335825.db2.gz HSQJWCOPLIYFRR-SFHVURJKSA-N 1 0 339.439 2.875 40 0 EFABRO c1cc(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccn1 ZINC000124980975 473335942 /nfs/dbraw/zinc/33/59/42/473335942.db2.gz CUUVZYSXIXRRJS-QGZVFWFLSA-N 1 0 325.460 2.822 40 0 EFABRO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)cs1 ZINC000096201817 473337241 /nfs/dbraw/zinc/33/72/41/473337241.db2.gz ZLDFHMOMCCYWKE-FUHWJXTLSA-N 1 0 327.453 2.557 40 0 EFABRO Cc1nc(CN2CC[C@]3(C2)COCC[N@H+](Cc2ccco2)C3)cs1 ZINC000096202115 473337264 /nfs/dbraw/zinc/33/72/64/473337264.db2.gz YYIRCKGTJBDCJA-GOSISDBHSA-N 1 0 347.484 2.769 40 0 EFABRO Fc1ccc(CN2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202042 473337576 /nfs/dbraw/zinc/33/75/76/473337576.db2.gz IKOZMKMLIKDVEA-FQEVSTJZSA-N 1 0 348.462 2.529 40 0 EFABRO Cc1nc(CN2CCOC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cs1 ZINC000096202128 473337626 /nfs/dbraw/zinc/33/76/26/473337626.db2.gz PHFPNHORYZXDJC-GOSISDBHSA-N 1 0 347.484 2.769 40 0 EFABRO c1csc(CN2CC[C@]3(C2)COCC[N@H+](Cc2ccsc2)C3)n1 ZINC000096202204 473337797 /nfs/dbraw/zinc/33/77/97/473337797.db2.gz FAJDUCVBCFSHSG-QGZVFWFLSA-N 1 0 349.525 2.929 40 0 EFABRO c1csc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338604 /nfs/dbraw/zinc/33/86/04/473338604.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 1 0 343.496 2.868 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096200844 473339411 /nfs/dbraw/zinc/33/94/11/473339411.db2.gz SQSKKXQNOVEMQY-MSOLQXFVSA-N 1 0 327.403 2.608 40 0 EFABRO O=C(COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccsc1)C2)N1CCCC1 ZINC000096206500 473339820 /nfs/dbraw/zinc/33/98/20/473339820.db2.gz ZVNLIBJYPYZMJE-MJGOQNOKSA-N 1 0 348.512 2.989 40 0 EFABRO COC[C@@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096206420 473340720 /nfs/dbraw/zinc/34/07/20/473340720.db2.gz NBHRHWFDIVTDCX-GOSISDBHSA-N 1 0 346.471 2.685 40 0 EFABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccco3)C2)C1)c1ccsc1 ZINC000096206633 473341115 /nfs/dbraw/zinc/34/11/15/473341115.db2.gz JJVVWMAXZHAEPU-CRAIPNDOSA-N 1 0 346.452 2.895 40 0 EFABRO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]12 ZINC000096207826 473341815 /nfs/dbraw/zinc/34/18/15/473341815.db2.gz YBQCMHLZFXGKSL-BFYDXBDKSA-N 1 0 336.863 2.655 40 0 EFABRO c1cc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)co1 ZINC000096206968 473341852 /nfs/dbraw/zinc/34/18/52/473341852.db2.gz PRAHDOLRSGTLJI-OALUTQOASA-N 1 0 335.444 2.846 40 0 EFABRO O=C(C[C@]12COC[C@H]1C[N@@H+](C1CCCC1)C2)NCCc1cccs1 ZINC000096207805 473341869 /nfs/dbraw/zinc/34/18/69/473341869.db2.gz UIXKNXHPEGHGIV-BEFAXECRSA-N 1 0 348.512 2.688 40 0 EFABRO O=C(COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccco1)C2)N1CCCC1 ZINC000096209049 473344063 /nfs/dbraw/zinc/34/40/63/473344063.db2.gz GOVNBVKDWAAIGS-APWZRJJASA-N 1 0 332.444 2.521 40 0 EFABRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccoc2)C3)n1 ZINC000096209010 473345677 /nfs/dbraw/zinc/34/56/77/473345677.db2.gz SVNAWZBZHKHVIL-MJGOQNOKSA-N 1 0 328.412 2.648 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@@H+]1CC1CC1 ZINC000096209085 473345765 /nfs/dbraw/zinc/34/57/65/473345765.db2.gz MIWPQKUKSFPQHC-QGZVFWFLSA-N 1 0 346.471 2.704 40 0 EFABRO CC[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC000096209893 473346176 /nfs/dbraw/zinc/34/61/76/473346176.db2.gz MAOLYUWUKGSWHR-FXAWDEMLSA-N 1 0 346.471 2.799 40 0 EFABRO Cc1cnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)nc1 ZINC000096215745 473346388 /nfs/dbraw/zinc/34/63/88/473346388.db2.gz KLFOLXJLOARIMR-KRWDZBQOSA-N 1 0 329.473 2.734 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000096215427 473347137 /nfs/dbraw/zinc/34/71/37/473347137.db2.gz KYFPWPZQYMDSRQ-AWEZNQCLSA-N 1 0 338.398 2.538 40 0 EFABRO COc1ccc(CN2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC000096216766 473349683 /nfs/dbraw/zinc/34/96/83/473349683.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 1 0 344.499 2.876 40 0 EFABRO O=C(C1CCC1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC000096217559 473350120 /nfs/dbraw/zinc/35/01/20/473350120.db2.gz VXHUYHLXWZAGOU-TZIWHRDSSA-N 1 0 346.515 2.774 40 0 EFABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1scnc1C)C2 ZINC000096220173 473353661 /nfs/dbraw/zinc/35/36/61/473353661.db2.gz MKZLHDFNAFOHLO-AEFFLSMTSA-N 1 0 335.517 2.632 40 0 EFABRO O=C(CC1CC1)N[C@H]1COCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096219499 473351244 /nfs/dbraw/zinc/35/12/44/473351244.db2.gz UXCPTYLNNVQNHY-KRWDZBQOSA-N 1 0 332.444 2.567 40 0 EFABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)c1ccco1 ZINC000096218399 473351544 /nfs/dbraw/zinc/35/15/44/473351544.db2.gz PIACLUGHOJPHJY-MAUKXSAKSA-N 1 0 346.452 2.895 40 0 EFABRO C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096218495 473351958 /nfs/dbraw/zinc/35/19/58/473351958.db2.gz QNISCQVOBQJBPT-UYAOXDASSA-N 1 0 341.455 2.645 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096219309 473352602 /nfs/dbraw/zinc/35/26/02/473352602.db2.gz PZKZPORFVLMSDI-YOEHRIQHSA-N 1 0 330.457 2.692 40 0 EFABRO CN(Cc1ccccn1)[C@H]1CO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096219877 473354288 /nfs/dbraw/zinc/35/42/88/473354288.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 1 0 327.428 2.540 40 0 EFABRO Cc1nc(C[N@@H+]2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)cs1 ZINC000096224526 473355539 /nfs/dbraw/zinc/35/55/39/473355539.db2.gz XKNCZFDXKQMBSL-SFHVURJKSA-N 1 0 342.468 2.866 40 0 EFABRO CC(C)NC(=O)[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000096224914 473355560 /nfs/dbraw/zinc/35/55/60/473355560.db2.gz WGONYGHYCCRVAN-SFHVURJKSA-N 1 0 330.472 2.972 40 0 EFABRO O=C(c1ccccc1F)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228814 473358261 /nfs/dbraw/zinc/35/82/61/473358261.db2.gz MGPTZNOTPSDNNG-FQEVSTJZSA-N 1 0 346.446 2.790 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)s1 ZINC000096225511 473358029 /nfs/dbraw/zinc/35/80/29/473358029.db2.gz LZEDTEVTCFZQJN-QGZVFWFLSA-N 1 0 335.473 2.644 40 0 EFABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228752 473358681 /nfs/dbraw/zinc/35/86/81/473358681.db2.gz YUDPOOJHOYTQKR-GOSISDBHSA-N 1 0 336.501 2.640 40 0 EFABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228862 473359292 /nfs/dbraw/zinc/35/92/92/473359292.db2.gz DVBFFPDRUBGLLJ-HXUWFJFHSA-N 1 0 341.455 2.742 40 0 EFABRO O=C(c1ccccc1F)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228815 473359328 /nfs/dbraw/zinc/35/93/28/473359328.db2.gz MGPTZNOTPSDNNG-HXUWFJFHSA-N 1 0 346.446 2.790 40 0 EFABRO O=C(c1ccsc1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228812 473359455 /nfs/dbraw/zinc/35/94/55/473359455.db2.gz WOMYHRHNPXDNNX-SFHVURJKSA-N 1 0 334.485 2.713 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@H](NCc1cnn(C)c1)c1ccccc1O2 ZINC000096242699 473363103 /nfs/dbraw/zinc/36/31/03/473363103.db2.gz XOJHPVVWCYTYGR-SFHVURJKSA-N 1 0 340.471 2.888 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccnc4)C(=O)[C@@H]3C2)s1 ZINC000096245076 473362626 /nfs/dbraw/zinc/36/26/26/473362626.db2.gz ABLRASQHRDRBPC-NVXWUHKLSA-N 1 0 327.453 2.542 40 0 EFABRO C[NH+](C)[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096241544 473362649 /nfs/dbraw/zinc/36/26/49/473362649.db2.gz YVBUMLQUGVWZTM-GOSISDBHSA-N 1 0 336.439 2.657 40 0 EFABRO CC(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1 ZINC000096248898 473364038 /nfs/dbraw/zinc/36/40/38/473364038.db2.gz BCWAVWVKHIYYRL-MOPGFXCFSA-N 1 0 338.455 2.690 40 0 EFABRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000096251716 473365093 /nfs/dbraw/zinc/36/50/93/473365093.db2.gz OUGWORXLJMWPES-ZOBUZTSGSA-N 1 0 342.468 2.685 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cnn(C)c4)c3CC2)s1 ZINC000096255193 473366115 /nfs/dbraw/zinc/36/61/15/473366115.db2.gz XWFFMEUXPPFPCE-UHFFFAOYSA-N 1 0 339.468 2.848 40 0 EFABRO CC[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260616 473367988 /nfs/dbraw/zinc/36/79/88/473367988.db2.gz XLCCZGXPXNTSOG-UHFFFAOYSA-N 1 0 342.487 2.560 40 0 EFABRO C[NH+](C)CCNC(=O)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 ZINC000096266477 473368816 /nfs/dbraw/zinc/36/88/16/473368816.db2.gz UEAWBWIJXPVZHX-UHFFFAOYSA-N 1 0 340.383 2.652 40 0 EFABRO c1nc2n(c1-c1ccc3c(c1)OCO3)C[C@H](C[NH2+]C1CCCC1)OC2 ZINC000096296394 473372351 /nfs/dbraw/zinc/37/23/51/473372351.db2.gz SHLHJADYNJQHMD-HNNXBMFYSA-N 1 0 341.411 2.710 40 0 biogenic,in-vitro EFABRO CCC(=O)Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000096404168 473380451 /nfs/dbraw/zinc/38/04/51/473380451.db2.gz PUSJZIAQBJSMRJ-MRXNPFEDSA-N 1 0 330.432 2.737 40 0 EFABRO Cc1cccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000096406854 473384673 /nfs/dbraw/zinc/38/46/73/473384673.db2.gz UDFMVZKKXAOYAG-GVDBMIGSSA-N 1 0 331.460 2.527 40 0 EFABRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1 ZINC000096407737 473385323 /nfs/dbraw/zinc/38/53/23/473385323.db2.gz OZENNKVRXDGLSA-AEFFLSMTSA-N 1 0 327.403 2.611 40 0 EFABRO C[NH+]1CCN(c2nc(Nc3cccc(O)c3)nc3ccccc32)CC1 ZINC000000250311 471340632 /nfs/dbraw/zinc/34/06/32/471340632.db2.gz KDCUZTJMCYJDIU-UHFFFAOYSA-N 1 0 335.411 2.831 40 0 EFABRO CN1CCN(c2c3ccccc3oc(=O)c2C[NH+]2CCCCC2)CC1 ZINC000000272765 471342823 /nfs/dbraw/zinc/34/28/23/471342823.db2.gz QRRLMHKMKWYUKM-UHFFFAOYSA-N 1 0 341.455 2.531 40 0 EFABRO CCCC[NH+](CCCC)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000001588712 471393458 /nfs/dbraw/zinc/39/34/58/471393458.db2.gz IEYZFSDKAODQAR-UHFFFAOYSA-N 1 0 338.473 2.733 40 0 EFABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[NH+]2CCCCC2)c1 ZINC000001656108 471394588 /nfs/dbraw/zinc/39/45/88/471394588.db2.gz VZGPVEMFEPUXIX-LJQANCHMSA-N 1 0 329.444 2.892 40 0 EFABRO CCOC(=O)N1CCN(c2cc(C)[nH+]c3cc(OC)ccc32)CC1 ZINC000001612263 471394714 /nfs/dbraw/zinc/39/47/14/471394714.db2.gz GXSLIHYNXGGQQA-UHFFFAOYSA-N 1 0 329.400 2.830 40 0 EFABRO C[N@@H+]1CCC=C(COC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000001640545 471395283 /nfs/dbraw/zinc/39/52/83/471395283.db2.gz MHZWAVGKTGFFPJ-FQEVSTJZSA-N 1 0 329.440 2.870 40 0 EFABRO CC[NH+](CC)CCOC(=O)C[C@@](C)(O)[C@H]1CCO[C@@](C)(CC)C1 ZINC000002090896 471401318 /nfs/dbraw/zinc/40/13/18/471401318.db2.gz NJVWNHTWZNLWLA-RYQLBKOJSA-N 1 0 329.481 2.608 40 0 EFABRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686937 471416117 /nfs/dbraw/zinc/41/61/17/471416117.db2.gz KIHNKUWMHHYLRO-RHSMWYFYSA-N 1 0 329.396 2.644 40 0 EFABRO C[C@H]([NH2+]C[C@@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686935 471416202 /nfs/dbraw/zinc/41/62/02/471416202.db2.gz KIHNKUWMHHYLRO-WMLDXEAASA-N 1 0 329.396 2.644 40 0 EFABRO C[C@H]([NH2+]C[C@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686931 471416472 /nfs/dbraw/zinc/41/64/72/471416472.db2.gz KIHNKUWMHHYLRO-YOEHRIQHSA-N 1 0 329.396 2.644 40 0 EFABRO COC(=O)[C@H]1C[C@@]23C=CC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]43 ZINC000004016723 471457152 /nfs/dbraw/zinc/45/71/52/471457152.db2.gz JSLDLCGKZDUQSH-UXZCKQNASA-N 1 0 336.435 2.562 40 0 EFABRO CCCCOc1ccc(N2C(=[NH2+])NC(=[NH2+])NC23CCCCC3)cc1 ZINC000004140308 471460179 /nfs/dbraw/zinc/46/01/79/471460179.db2.gz DUBNRRUGVDBJKB-UHFFFAOYSA-N 1 0 329.448 2.975 40 0 EFABRO CCN1c2ccccc2C(=O)N(CC[NH+](C)C)c2ccccc2C1=O ZINC000005456148 471506631 /nfs/dbraw/zinc/50/66/31/471506631.db2.gz LCGCVCKLSQIKIQ-UHFFFAOYSA-N 1 0 337.423 2.875 40 0 EFABRO CC[C@]1(c2ccc(-[n+]3c(C)cc(C)cc3C)cc2)CCC(=O)NC1=O ZINC000005468348 471508327 /nfs/dbraw/zinc/50/83/27/471508327.db2.gz GQUDCTVSRRIFII-OAQYLSRUSA-O 1 0 337.443 2.973 40 0 EFABRO COc1ccc(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3[C@@H]2C)cc1OC ZINC000005758928 471519924 /nfs/dbraw/zinc/51/99/24/471519924.db2.gz GMTIVZXAIAADFX-OIISXLGYSA-N 1 0 346.471 2.625 40 0 EFABRO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OC ZINC000007126251 471593978 /nfs/dbraw/zinc/59/39/78/471593978.db2.gz LWQTZCKTLMYFCR-MRXNPFEDSA-N 1 0 337.383 2.540 40 0 EFABRO CCOCCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000008253128 471675427 /nfs/dbraw/zinc/67/54/27/471675427.db2.gz GTEWFMWEOIRSFY-UHFFFAOYSA-N 1 0 332.238 2.983 40 0 EFABRO CCOc1c(Br)cc(C[NH2+][C@@H](CC)CO)cc1OC ZINC000008326263 471681574 /nfs/dbraw/zinc/68/15/74/471681574.db2.gz YWUIEYOVCLUJPV-NSHDSACASA-N 1 0 332.238 2.717 40 0 EFABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN(C)c1ccccc1 ZINC000008635707 471697575 /nfs/dbraw/zinc/69/75/75/471697575.db2.gz UDUJCKKEISXTOL-JENIJYKNSA-N 1 0 344.503 2.541 40 0 biogenic,in-vitro EFABRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCCC1 ZINC000010111086 471728367 /nfs/dbraw/zinc/72/83/67/471728367.db2.gz YDZRTUNJLDKFFZ-DHZHZOJOSA-N 1 0 331.416 2.990 40 0 EFABRO Cc1ccccc1CS(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010544100 471738245 /nfs/dbraw/zinc/73/82/45/471738245.db2.gz DBYGZYSSUAEMKE-IYBDPMFKSA-N 1 0 338.517 2.782 40 0 EFABRO Cc1ccc(-c2nc(N3CC[NH+](C)CC3)ncc2-c2ccncc2)cn1 ZINC000012232716 471768837 /nfs/dbraw/zinc/76/88/37/471768837.db2.gz LPJQISOKZQDMSM-UHFFFAOYSA-N 1 0 346.438 2.661 40 0 EFABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291509 471770097 /nfs/dbraw/zinc/77/00/97/471770097.db2.gz WYBAIWKIBFDCCN-LJQANCHMSA-N 1 0 328.456 2.895 40 0 EFABRO CCCn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C(F)(F)F ZINC000012398925 471775306 /nfs/dbraw/zinc/77/53/06/471775306.db2.gz DJKNAVXRGWLWGP-UHFFFAOYSA-N 1 0 327.354 2.788 40 0 EFABRO Cc1ccc(CS(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013612317 471834999 /nfs/dbraw/zinc/83/49/99/471834999.db2.gz GAOBDYGWLYBQRF-CALCHBBNSA-N 1 0 338.517 2.782 40 0 EFABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000013668882 471836812 /nfs/dbraw/zinc/83/68/12/471836812.db2.gz KVIQNNZWNKOGLJ-SFHVURJKSA-N 1 0 334.460 2.845 40 0 EFABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]CCc1ccccc1)OCCO3 ZINC000013999214 471848293 /nfs/dbraw/zinc/84/82/93/471848293.db2.gz OUZZVUUYTPBIRJ-UHFFFAOYSA-N 1 0 336.391 2.632 40 0 EFABRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H](O)c1ccccc1 ZINC000016425293 471936686 /nfs/dbraw/zinc/93/66/86/471936686.db2.gz LWHZDYUDTGXGAV-HXUWFJFHSA-N 1 0 326.440 2.689 40 0 EFABRO CC(=O)Nc1ccc(N2C(=O)C[C@H]([N@@H+](C)C3CCCCC3)C2=O)cc1 ZINC000019022516 471976572 /nfs/dbraw/zinc/97/65/72/471976572.db2.gz XUQLWSMKJRNVJF-KRWDZBQOSA-N 1 0 343.427 2.541 40 0 EFABRO Cc1ccc(C)c([C@H](O)CN2CCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000019132153 471977570 /nfs/dbraw/zinc/97/75/70/471977570.db2.gz DEMMFZOWNVDXFD-AZUAARDMSA-N 1 0 332.488 2.524 40 0 EFABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc2O1 ZINC000019498040 471979667 /nfs/dbraw/zinc/97/96/67/471979667.db2.gz BJZKWRMMJPFFQV-JXFKEZNVSA-N 1 0 338.451 2.866 40 0 EFABRO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc2O1 ZINC000019498042 471980001 /nfs/dbraw/zinc/98/00/01/471980001.db2.gz BJZKWRMMJPFFQV-OXJNMPFZSA-N 1 0 338.451 2.866 40 0 EFABRO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](C1CCCC1)CC2 ZINC000019711532 471982626 /nfs/dbraw/zinc/98/26/26/471982626.db2.gz QFGLVISQHUTJHJ-QGZVFWFLSA-N 1 0 343.475 2.502 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)cn1 ZINC000019688575 471982770 /nfs/dbraw/zinc/98/27/70/471982770.db2.gz SOKJNMKGGXHZOF-KRWDZBQOSA-N 1 0 336.443 2.595 40 0 EFABRO Cc1ccc(-c2cc(C[C@]3(C(=O)NC4CC4)CCC[NH2+]3)on2)cc1 ZINC000019696449 471983590 /nfs/dbraw/zinc/98/35/90/471983590.db2.gz JWPMJLCFXYAUTL-IBGZPJMESA-N 1 0 325.412 2.593 40 0 EFABRO CCOC(=O)c1n[nH]cc1-c1cncn1[C@H](CC)C[NH+]1CCCCC1 ZINC000019719725 471984426 /nfs/dbraw/zinc/98/44/26/471984426.db2.gz BOTKROOOFZKMQP-CQSZACIVSA-N 1 0 345.447 2.887 40 0 EFABRO CNc1cc(CN(C)Cc2cccc(C)c2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760085 471984512 /nfs/dbraw/zinc/98/45/12/471984512.db2.gz SZUNRHTYDBAZLR-QGZVFWFLSA-N 1 0 325.460 2.883 40 0 EFABRO CCC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000020139157 471987228 /nfs/dbraw/zinc/98/72/28/471987228.db2.gz FSUIZSDCYKZCRD-MRXNPFEDSA-N 1 0 334.512 2.830 40 0 EFABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000035622928 471996319 /nfs/dbraw/zinc/99/63/19/471996319.db2.gz PVHYSIRBQBWLRV-GJZGRUSLSA-N 1 0 339.867 2.939 40 0 EFABRO C[C@H](O)C[NH2+]CCNCc1ccccc1OCc1ccccc1Cl ZINC000022075020 472009834 /nfs/dbraw/zinc/00/98/34/472009834.db2.gz KAEGVRCHOAJIIE-HNNXBMFYSA-N 1 0 348.874 2.979 40 0 EFABRO C[C@H](O)C[NH2+]CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022075050 472009965 /nfs/dbraw/zinc/00/99/65/472009965.db2.gz JUGCGDQKPYLCRH-HNNXBMFYSA-N 1 0 348.874 2.979 40 0 EFABRO CC(C)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000022248196 472011936 /nfs/dbraw/zinc/01/19/36/472011936.db2.gz XUKODHOJSYWPDW-AEFFLSMTSA-N 1 0 344.455 2.679 40 0 EFABRO Cc1noc2nc(-c3ccco3)cc(C(=O)NC3CC[NH+](C)CC3)c12 ZINC000023449550 472033372 /nfs/dbraw/zinc/03/33/72/472033372.db2.gz OWGKTKOONGOFMI-UHFFFAOYSA-N 1 0 340.383 2.615 40 0 EFABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc12 ZINC000026440784 472136298 /nfs/dbraw/zinc/13/62/98/472136298.db2.gz DGLYOKZGHXIPJN-UHFFFAOYSA-N 1 0 345.406 2.707 40 0 EFABRO Cc1cc(F)ccc1S(=O)(=O)NCCC[NH+]1CCCCCC1 ZINC000026818126 472150722 /nfs/dbraw/zinc/15/07/22/472150722.db2.gz VDTCAGBKGFLPMT-UHFFFAOYSA-N 1 0 328.453 2.679 40 0 EFABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000026842995 472151807 /nfs/dbraw/zinc/15/18/07/472151807.db2.gz GMJJGSYWAHTASV-UHFFFAOYSA-N 1 0 336.482 2.822 40 0 EFABRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000026898327 472154457 /nfs/dbraw/zinc/15/44/57/472154457.db2.gz JCQKPXHKGNJTQQ-HXUWFJFHSA-N 1 0 338.451 2.936 40 0 EFABRO O=C(NCCn1cccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000084414577 472177726 /nfs/dbraw/zinc/17/77/26/472177726.db2.gz RWSTYJKMMFTNQB-UHFFFAOYSA-N 1 0 326.444 2.583 40 0 EFABRO CCOc1ccccc1OCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000075717367 472187830 /nfs/dbraw/zinc/18/78/30/472187830.db2.gz NOUKPXIVMAONIU-UHFFFAOYSA-N 1 0 332.444 2.551 40 0 EFABRO Cc1ccc(-n2ncc3c4nnc(C5CC[NH2+]CC5)n4cnc32)cc1C ZINC000027795851 472196387 /nfs/dbraw/zinc/19/63/87/472196387.db2.gz BKYRYGSTMZEEDO-UHFFFAOYSA-N 1 0 347.426 2.547 40 0 EFABRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@@H](C)O1 ZINC000085456845 472249526 /nfs/dbraw/zinc/24/95/26/472249526.db2.gz CQYLRDKBAXXDPX-BFYDXBDKSA-N 1 0 348.512 2.882 40 0 EFABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc2ncsc2c1 ZINC000085473130 472253029 /nfs/dbraw/zinc/25/30/29/472253029.db2.gz JQBZMIGRCXTLDD-ZDUSSCGKSA-N 1 0 335.498 2.806 40 0 EFABRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000030008112 472310744 /nfs/dbraw/zinc/31/07/44/472310744.db2.gz PYYNHOQOZDJJPB-GOSISDBHSA-N 1 0 330.453 2.802 40 0 EFABRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000087293276 472321954 /nfs/dbraw/zinc/32/19/54/472321954.db2.gz YSUUKHAWCCYRGV-HNNXBMFYSA-N 1 0 349.450 2.701 40 0 EFABRO Cc1cnn(CCC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000076389557 472337507 /nfs/dbraw/zinc/33/75/07/472337507.db2.gz XQBBRJADVZLQIK-GOSISDBHSA-N 1 0 340.471 2.705 40 0 EFABRO CC(=O)N1CC[C@@H](C[N@H+](C)CCc2cccc(Br)c2)C1 ZINC000097095447 472443083 /nfs/dbraw/zinc/44/30/83/472443083.db2.gz KZVVEWDQEHQGQQ-HNNXBMFYSA-N 1 0 339.277 2.792 40 0 EFABRO COC1(C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)CCOCC1 ZINC000097095362 472444009 /nfs/dbraw/zinc/44/40/09/472444009.db2.gz OUJPJRPDTADOFI-MJGOQNOKSA-N 1 0 332.488 2.682 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000097102552 472446998 /nfs/dbraw/zinc/44/69/98/472446998.db2.gz ZCLANQQUFFFQNM-UYSNPLJNSA-N 1 0 337.414 2.580 40 0 EFABRO CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC000032733733 472461744 /nfs/dbraw/zinc/46/17/44/472461744.db2.gz KBEDORKVUMNQLZ-UYAOXDASSA-N 1 0 338.451 2.972 40 0 EFABRO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000057752152 472471026 /nfs/dbraw/zinc/47/10/26/472471026.db2.gz UNOPHEOWEALQFW-INIZCTEOSA-N 1 0 346.500 2.716 40 0 EFABRO COc1cc(CN(CCC[NH+](C)C)Cc2ccco2)cc2c1OCO2 ZINC000057810882 472478231 /nfs/dbraw/zinc/47/82/31/472478231.db2.gz NXTJOQYHDOJNEO-UHFFFAOYSA-N 1 0 346.427 2.971 40 0 EFABRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000097228502 472483572 /nfs/dbraw/zinc/48/35/72/472483572.db2.gz WWFNXKLAUUMVQA-ZDUSSCGKSA-N 1 0 335.473 2.655 40 0 EFABRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230722 472483972 /nfs/dbraw/zinc/48/39/72/472483972.db2.gz VACSYAVKZMDUEF-LSDHHAIUSA-N 1 0 342.480 2.516 40 0 EFABRO Cc1nscc1C(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000097237506 472485790 /nfs/dbraw/zinc/48/57/90/472485790.db2.gz ZSBGVBWXOGAICU-UHFFFAOYSA-N 1 0 344.484 2.626 40 0 EFABRO CCc1noc(C2CCC([NH2+]CC(=O)NC3CCCCC3)CC2)n1 ZINC000097234787 472486557 /nfs/dbraw/zinc/48/65/57/472486557.db2.gz CIDDIMPMMSGRHB-UHFFFAOYSA-N 1 0 334.464 2.697 40 0 EFABRO CN(C1CC[NH+](CCCc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000077271134 472490566 /nfs/dbraw/zinc/49/05/66/472490566.db2.gz GIHTXPUYTKHDJW-UHFFFAOYSA-N 1 0 344.908 2.628 40 0 EFABRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000070173342 472493880 /nfs/dbraw/zinc/49/38/80/472493880.db2.gz LOCIOUDBRIVSEK-VHSXEESVSA-N 1 0 329.213 2.788 40 0 EFABRO C([NH2+]C1CCC2(CC1)OCCO2)C1(N2CCSCC2)CCCC1 ZINC000155114950 472509340 /nfs/dbraw/zinc/50/93/40/472509340.db2.gz UWIVWHQBMQCNCP-UHFFFAOYSA-N 1 0 340.533 2.623 40 0 EFABRO Cc1cccn2cc(C[NH2+]C3CCN(Cc4ccncc4)CC3)nc12 ZINC000090045271 472584768 /nfs/dbraw/zinc/58/47/68/472584768.db2.gz FVMYTGOVZMEOEK-UHFFFAOYSA-N 1 0 335.455 2.792 40 0 EFABRO Fc1ccc(N2CC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)c(F)c1 ZINC000155743217 472606858 /nfs/dbraw/zinc/60/68/58/472606858.db2.gz CCVURZLEMJKOIU-HNNXBMFYSA-N 1 0 338.398 2.819 40 0 EFABRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(Br)c2)C1 ZINC000046877536 472616260 /nfs/dbraw/zinc/61/62/60/472616260.db2.gz ZQSNOACYPQTVAB-GFCCVEGCSA-N 1 0 325.250 2.911 40 0 EFABRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000072012769 472628496 /nfs/dbraw/zinc/62/84/96/472628496.db2.gz CIPHESLRTBRJDI-CYBMUJFWSA-N 1 0 344.846 2.740 40 0 EFABRO CC[C@@H]([NH3+])c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000072222620 472634943 /nfs/dbraw/zinc/63/49/43/472634943.db2.gz NDZSXXPIYFKCGQ-OAHLLOKOSA-N 1 0 334.464 2.857 40 0 EFABRO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592546 472640969 /nfs/dbraw/zinc/64/09/69/472640969.db2.gz WJOLRJIIOVTNDJ-KBPBESRZSA-N 1 0 342.361 2.825 40 0 EFABRO Cn1ncc2c1CCC[C@H]2[NH2+]CCOc1ncccc1C(F)(F)F ZINC000090605773 472641666 /nfs/dbraw/zinc/64/16/66/472641666.db2.gz LTSWMJONSOOGNZ-CYBMUJFWSA-N 1 0 340.349 2.880 40 0 EFABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)CSc1ccc(F)cc1 ZINC000090700096 472653334 /nfs/dbraw/zinc/65/33/34/472653334.db2.gz FUPJTLPHIHTGPU-CQSZACIVSA-N 1 0 342.505 2.814 40 0 EFABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072355621 472662503 /nfs/dbraw/zinc/66/25/03/472662503.db2.gz VBBVEEKXZQIWBY-MRXNPFEDSA-N 1 0 327.432 2.541 40 0 EFABRO Cc1nn2c(nc3c(c2N2CC[NH2+]CC2)CCC3)c1-c1ccccc1 ZINC000072341731 472662894 /nfs/dbraw/zinc/66/28/94/472662894.db2.gz QKTWBONEIIFARP-UHFFFAOYSA-N 1 0 333.439 2.603 40 0 EFABRO Cc1nn2c(nc(C)cc2N2CC[NH+](C)CC2)c1-c1cccs1 ZINC000072341681 472663976 /nfs/dbraw/zinc/66/39/76/472663976.db2.gz YDRDWEYTMWOXEH-UHFFFAOYSA-N 1 0 327.457 2.826 40 0 EFABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC000072342502 472664094 /nfs/dbraw/zinc/66/40/94/472664094.db2.gz UXNDEHDRRIRVTP-CZUORRHYSA-N 1 0 332.444 2.634 40 0 EFABRO c1cnc2ccc(CN3CCn4c(nnc4[C@@H]4CCCC[NH2+]4)C3)cc2c1 ZINC000072374054 472664310 /nfs/dbraw/zinc/66/43/10/472664310.db2.gz UONXFZNPWAKAGK-SFHVURJKSA-N 1 0 348.454 2.657 40 0 EFABRO COc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1OC ZINC000047416501 472706760 /nfs/dbraw/zinc/70/67/60/472706760.db2.gz BNUSGXNMKDGQQP-GJZGRUSLSA-N 1 0 334.460 2.802 40 0 EFABRO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000105331213 472746862 /nfs/dbraw/zinc/74/68/62/472746862.db2.gz GNVDQIRPMRGVLH-IBGZPJMESA-N 1 0 347.418 2.941 40 0 EFABRO CCS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091349556 472758826 /nfs/dbraw/zinc/75/88/26/472758826.db2.gz OSDZAUNXMHVQCK-FPMFFAJLSA-N 1 0 328.503 2.659 40 0 EFABRO C[C@@H]([NH2+]CCc1nc(-c2ccco2)n[nH]1)c1nc2ccccc2n1C ZINC000091374233 472761645 /nfs/dbraw/zinc/76/16/45/472761645.db2.gz JXMHWDIVBCNWOY-GFCCVEGCSA-N 1 0 336.399 2.845 40 0 EFABRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(-n2ccnn2)cc1 ZINC000156938863 472768810 /nfs/dbraw/zinc/76/88/10/472768810.db2.gz DADQURZPLPPOEX-CQSZACIVSA-N 1 0 328.416 2.604 40 0 EFABRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(-n2ccnn2)cc1 ZINC000156938708 472769469 /nfs/dbraw/zinc/76/94/69/472769469.db2.gz DADQURZPLPPOEX-AWEZNQCLSA-N 1 0 328.416 2.604 40 0 EFABRO COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1C ZINC000091595309 472780821 /nfs/dbraw/zinc/78/08/21/472780821.db2.gz GXESMGQYKJWSJG-HIFRSBDPSA-N 1 0 330.384 2.984 40 0 EFABRO CC[NH+]1CCN(CCC(=O)NC2(c3ccccc3)CCCC2)CC1 ZINC000073672627 472850026 /nfs/dbraw/zinc/85/00/26/472850026.db2.gz CRVRSCURUSQMLI-UHFFFAOYSA-N 1 0 329.488 2.600 40 0 EFABRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000048426998 472875219 /nfs/dbraw/zinc/87/52/19/472875219.db2.gz XHZBIRCVGJPOSI-UHFFFAOYSA-N 1 0 331.243 2.788 40 0 EFABRO O=C(c1cc(C2CC2)on1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000079669233 472905110 /nfs/dbraw/zinc/90/51/10/472905110.db2.gz DFUCALXDJVOTLY-OAHLLOKOSA-N 1 0 349.500 2.986 40 0 EFABRO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)cc1 ZINC000049170411 472933916 /nfs/dbraw/zinc/93/39/16/472933916.db2.gz MMEAYTDSHIXZDM-ZDUSSCGKSA-N 1 0 347.390 2.756 40 0 biogenic,in-vitro EFABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000049169110 472934343 /nfs/dbraw/zinc/93/43/43/472934343.db2.gz KOKDDWVPAFUHLH-LBPRGKRZSA-N 1 0 334.441 2.963 40 0 biogenic,in-vitro EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)o1 ZINC000107728559 472978775 /nfs/dbraw/zinc/97/87/75/472978775.db2.gz CEUJYYKUQVHSDF-KDOFPFPSSA-N 1 0 331.391 2.968 40 0 EFABRO O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]12)NCc1ccco1 ZINC000107745963 472980072 /nfs/dbraw/zinc/98/00/72/472980072.db2.gz DIIFMJYZGOWQQP-BCDXTJNWSA-N 1 0 328.387 2.803 40 0 EFABRO Cc1cncc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000122155465 472982275 /nfs/dbraw/zinc/98/22/75/472982275.db2.gz HSAQNXOQIGXQPO-UHFFFAOYSA-N 1 0 346.475 2.746 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108526624 473035366 /nfs/dbraw/zinc/03/53/66/473035366.db2.gz YKCLXSDABQWLJA-XLIONFOSSA-N 1 0 343.471 2.936 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530119 473035559 /nfs/dbraw/zinc/03/55/59/473035559.db2.gz INIVVPBLGMPUPM-ICSRJNTNSA-N 1 0 343.471 2.936 40 0 EFABRO c1coc(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c1 ZINC000108527531 473035622 /nfs/dbraw/zinc/03/56/22/473035622.db2.gz ANRUMQLGRPMGTB-OAHLLOKOSA-N 1 0 328.416 2.695 40 0 EFABRO COCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1C)CC2 ZINC000108532669 473035817 /nfs/dbraw/zinc/03/58/17/473035817.db2.gz BRFJXSYHZYTJPG-UHFFFAOYSA-N 1 0 348.462 2.985 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccccn1)C2)N1CCCCO1 ZINC000108529853 473036168 /nfs/dbraw/zinc/03/61/68/473036168.db2.gz HDSBRIQVBDVMOV-IEBWSBKVSA-N 1 0 329.444 2.628 40 0 EFABRO Cc1ccccc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC000108533125 473037203 /nfs/dbraw/zinc/03/72/03/473037203.db2.gz ADTWETXWGXGWGC-ROUUACIJSA-N 1 0 340.423 2.704 40 0 EFABRO CS(=O)(=O)NC1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000108535233 473037800 /nfs/dbraw/zinc/03/78/00/473037800.db2.gz KZMCUPHAXPKYLC-UHFFFAOYSA-N 1 0 342.892 2.634 40 0 EFABRO COC(=O)c1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000109036769 473075726 /nfs/dbraw/zinc/07/57/26/473075726.db2.gz ORKKBJFDLPYQPL-UONOGXRCSA-N 1 0 333.432 2.715 40 0 EFABRO CCOc1cc(/C=C/C(=O)NCC[NH+]2CCCCC2)ccc1OC ZINC000052410862 473104406 /nfs/dbraw/zinc/10/44/06/473104406.db2.gz BXDBGWMPRNETGG-CSKARUKUSA-N 1 0 332.444 2.709 40 0 EFABRO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000074991408 473108140 /nfs/dbraw/zinc/10/81/40/473108140.db2.gz JIPDLDSRKJOMDY-QBPKDAKJSA-N 1 0 348.491 2.719 40 0 EFABRO COc1cccc2cc(C[NH+]3CCC(N4CCCNC4=O)CC3)oc21 ZINC000093668983 473131618 /nfs/dbraw/zinc/13/16/18/473131618.db2.gz RNUSJTNVZHBFDC-UHFFFAOYSA-N 1 0 343.427 2.821 40 0 EFABRO C[C@H](CCc1ccc(O)cc1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000136411680 473157103 /nfs/dbraw/zinc/15/71/03/473157103.db2.gz PLMPURYYIXPODW-CQSZACIVSA-N 1 0 344.480 2.949 40 0 EFABRO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110618989 473166850 /nfs/dbraw/zinc/16/68/50/473166850.db2.gz XXWCEVFUUALOIO-VDZJLULYSA-N 1 0 338.455 2.794 40 0 EFABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 ZINC000110633354 473167611 /nfs/dbraw/zinc/16/76/11/473167611.db2.gz NJAUXFJJLLIZJE-PWSUYJOCSA-N 1 0 337.474 2.804 40 0 EFABRO C[C@H]1C[C@H](NCc2nnc3ccccn32)C[N@H+](Cc2ccccc2)C1 ZINC000136892955 473183279 /nfs/dbraw/zinc/18/32/79/473183279.db2.gz AEEXITJTXLTQPL-WMZOPIPTSA-N 1 0 335.455 2.730 40 0 EFABRO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)[C@H]1CC=CCC1 ZINC000075416133 473185372 /nfs/dbraw/zinc/18/53/72/473185372.db2.gz MACYAWQLMPPZQD-KRWDZBQOSA-N 1 0 328.456 2.981 40 0 EFABRO c1nn(-c2ccccc2)c2ncnc(N3CC[C@@H]([NH+]4CCCCC4)C3)c12 ZINC000095393941 473195401 /nfs/dbraw/zinc/19/54/01/473195401.db2.gz XMJOCYVISSSZFS-QGZVFWFLSA-N 1 0 348.454 2.880 40 0 EFABRO C[C@@H]1C[C@H](N(C)C(=O)COCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000096413963 473393030 /nfs/dbraw/zinc/39/30/30/473393030.db2.gz GSJZLFRBJYMDHX-VQIMIIECSA-N 1 0 330.472 2.925 40 0 EFABRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000096416988 473396216 /nfs/dbraw/zinc/39/62/16/473396216.db2.gz XAPVUQKSODKFHG-UHFFFAOYSA-N 1 0 345.365 2.579 40 0 EFABRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416996 473396585 /nfs/dbraw/zinc/39/65/85/473396585.db2.gz MFRLOGNTKLGLSE-GFCCVEGCSA-N 1 0 345.365 2.579 40 0 EFABRO CC[C@@]1(C)CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000190799983 473397740 /nfs/dbraw/zinc/39/77/40/473397740.db2.gz XIRMEAJBNBLRKH-IBGZPJMESA-N 1 0 346.475 2.509 40 0 EFABRO C[NH+](C)Cc1cccc(C(=O)NCc2cc(F)cc3c2OCOC3)c1 ZINC000096421698 473400766 /nfs/dbraw/zinc/40/07/66/473400766.db2.gz FFNCDQPQZLPWQI-UHFFFAOYSA-N 1 0 344.386 2.684 40 0 EFABRO Cc1cccnc1[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C(C)C ZINC000096424416 473402917 /nfs/dbraw/zinc/40/29/17/473402917.db2.gz ABJNBSPONLIWRQ-STQMWFEESA-N 1 0 329.366 2.840 40 0 EFABRO O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000096427701 473407317 /nfs/dbraw/zinc/40/73/17/473407317.db2.gz NATFHJZQAOHGAK-AORWBKJGSA-N 1 0 340.876 2.714 40 0 EFABRO COCCC[NH+]1CCC(Nc2cncc(Br)c2)CC1 ZINC000096429381 473408392 /nfs/dbraw/zinc/40/83/92/473408392.db2.gz XALNOIUBGWTIIB-UHFFFAOYSA-N 1 0 328.254 2.757 40 0 EFABRO CCn1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000096431359 473410611 /nfs/dbraw/zinc/41/06/11/473410611.db2.gz RBVQGGJSZOSGKD-QGZVFWFLSA-N 1 0 341.459 2.889 40 0 EFABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nncs2)[C@@H]1c1cccs1 ZINC000096433595 473412840 /nfs/dbraw/zinc/41/28/40/473412840.db2.gz NJAUXFJJLLIZJE-ZYHUDNBSSA-N 1 0 337.474 2.804 40 0 EFABRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000096435177 473414022 /nfs/dbraw/zinc/41/40/22/473414022.db2.gz DWKRZNHLVWBGMK-OAHLLOKOSA-N 1 0 327.432 2.678 40 0 EFABRO CC[N@H+](CCNC(=O)Nc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000096435224 473414146 /nfs/dbraw/zinc/41/41/46/473414146.db2.gz FNFJTZONORHKFJ-UHFFFAOYSA-N 1 0 348.516 2.846 40 0 EFABRO Cc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1OC(C)C ZINC000096435272 473414290 /nfs/dbraw/zinc/41/42/90/473414290.db2.gz YPZSEELUMHPBQR-INIZCTEOSA-N 1 0 348.491 2.540 40 0 EFABRO Cc1ccoc1C(=O)NC1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000096435769 473415266 /nfs/dbraw/zinc/41/52/66/473415266.db2.gz PEHPBYBBYXPMTK-UHFFFAOYSA-N 1 0 334.460 2.723 40 0 EFABRO C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096439577 473417703 /nfs/dbraw/zinc/41/77/03/473417703.db2.gz BPDRLEZDOSMEBC-HDICACEKSA-N 1 0 343.471 2.735 40 0 EFABRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000096440436 473418441 /nfs/dbraw/zinc/41/84/41/473418441.db2.gz FHQLWACCBOVRQM-HOTGVXAUSA-N 1 0 337.508 2.755 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000096441000 473418956 /nfs/dbraw/zinc/41/89/56/473418956.db2.gz JKPIHUJFGLHJNI-MRXNPFEDSA-N 1 0 335.467 2.647 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000096440797 473418972 /nfs/dbraw/zinc/41/89/72/473418972.db2.gz FOSYGQLBEKXMCV-MOPGFXCFSA-N 1 0 347.478 2.606 40 0 EFABRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000096441676 473420161 /nfs/dbraw/zinc/42/01/61/473420161.db2.gz XZYATIYBAAKDJK-CABCVRRESA-N 1 0 344.377 2.514 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000096441625 473420374 /nfs/dbraw/zinc/42/03/74/473420374.db2.gz PIZODYGCOLNQSV-LBPRGKRZSA-N 1 0 348.340 2.725 40 0 EFABRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCOC3)cc2)C1 ZINC000096443927 473421396 /nfs/dbraw/zinc/42/13/96/473421396.db2.gz WQABZQZPXXKHAJ-HZPDHXFCSA-N 1 0 332.444 2.772 40 0 EFABRO CCS[C@H]1CCCCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000096447213 473424805 /nfs/dbraw/zinc/42/48/05/473424805.db2.gz TXQPBMZOMUXCSG-HNNXBMFYSA-N 1 0 339.509 2.584 40 0 EFABRO COC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(C)o1 ZINC000096452386 473428838 /nfs/dbraw/zinc/42/88/38/473428838.db2.gz YNPUJGBYYWRHKO-KRWDZBQOSA-N 1 0 349.475 2.982 40 0 EFABRO NC(=O)N1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000096452795 473428968 /nfs/dbraw/zinc/42/89/68/473428968.db2.gz PYCXQUZIRZYROT-UHFFFAOYSA-N 1 0 329.366 2.724 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000096454426 473429444 /nfs/dbraw/zinc/42/94/44/473429444.db2.gz YCUIMVLIRQESNB-YOEHRIQHSA-N 1 0 327.403 2.861 40 0 EFABRO O=C(C/C=C/c1cccc(F)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000096454365 473429765 /nfs/dbraw/zinc/42/97/65/473429765.db2.gz WXMVKUWIWULJJU-GORDUTHDSA-N 1 0 346.446 2.942 40 0 EFABRO CSC[C@H](C)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000096456021 473432224 /nfs/dbraw/zinc/43/22/24/473432224.db2.gz PKCLNZISOXPMJR-JYJNAYRXSA-N 1 0 342.549 2.723 40 0 EFABRO CNC(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000096473815 473437601 /nfs/dbraw/zinc/43/76/01/473437601.db2.gz GVLQMJCDEPWFGG-UHFFFAOYSA-N 1 0 331.243 2.720 40 0 EFABRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476512 473440031 /nfs/dbraw/zinc/44/00/31/473440031.db2.gz PMHZTJWRBTWSNF-IUODEOHRSA-N 1 0 349.427 2.884 40 0 EFABRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479367 473440869 /nfs/dbraw/zinc/44/08/69/473440869.db2.gz LCBHFTPLFRMVNO-XJKSGUPXSA-N 1 0 330.428 2.857 40 0 EFABRO C[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000096483696 473442088 /nfs/dbraw/zinc/44/20/88/473442088.db2.gz XKMFEKJBFWSKIX-GJZGRUSLSA-N 1 0 325.416 2.540 40 0 EFABRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000096485571 473444234 /nfs/dbraw/zinc/44/42/34/473444234.db2.gz SYAVMTSBIDGSMN-BXKDBHETSA-N 1 0 329.213 2.722 40 0 EFABRO CC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000096486593 473444967 /nfs/dbraw/zinc/44/49/67/473444967.db2.gz HOKCWPGYZLFBIT-CHWSQXEVSA-N 1 0 332.473 2.568 40 0 EFABRO Cc1cc(N2CC[NH+](Cc3coc4ccccc34)CC2)n2ncnc2n1 ZINC000096489749 473446560 /nfs/dbraw/zinc/44/65/60/473446560.db2.gz BCHGLZGVEZYZLW-UHFFFAOYSA-N 1 0 348.410 2.501 40 0 EFABRO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000096491645 473447208 /nfs/dbraw/zinc/44/72/08/473447208.db2.gz ICWUDZDJJLMLLS-LSDHHAIUSA-N 1 0 325.499 2.867 40 0 EFABRO Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(OCc2ccco2)c1 ZINC000096491691 473447405 /nfs/dbraw/zinc/44/74/05/473447405.db2.gz HAIDMBKGZAQWSC-INIZCTEOSA-N 1 0 349.452 2.834 40 0 EFABRO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000096493369 473449766 /nfs/dbraw/zinc/44/97/66/473449766.db2.gz ZSYAWSRWXIEWQU-RLLQIKCJSA-N 1 0 342.483 2.961 40 0 EFABRO CC1(C)[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)[C@@H]2CCO[C@@H]21 ZINC000096493463 473449810 /nfs/dbraw/zinc/44/98/10/473449810.db2.gz MESKWGARZPHVJP-MANSERQUSA-N 1 0 342.483 2.623 40 0 EFABRO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000096494465 473451148 /nfs/dbraw/zinc/45/11/48/473451148.db2.gz YXJZMUXJPZATRY-DIECFANBSA-N 1 0 331.435 2.737 40 0 EFABRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000191080002 473473480 /nfs/dbraw/zinc/47/34/80/473473480.db2.gz KRLFEBASHXAORQ-FHWLQOOXSA-N 1 0 333.520 2.607 40 0 EFABRO Brc1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000191124031 473484827 /nfs/dbraw/zinc/48/48/27/473484827.db2.gz NYVCFNLKOCGQAB-LBPRGKRZSA-N 1 0 343.265 2.633 40 0 EFABRO Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C ZINC000191371032 473532261 /nfs/dbraw/zinc/53/22/61/473532261.db2.gz RWESWHQXWFLKRS-PWSUYJOCSA-N 1 0 332.370 2.586 40 0 EFABRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)cc1 ZINC000168241918 473540866 /nfs/dbraw/zinc/54/08/66/473540866.db2.gz GFDTYSQSDBUMMJ-WDEREUQCSA-N 1 0 337.445 2.611 40 0 EFABRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000178642082 473541490 /nfs/dbraw/zinc/54/14/90/473541490.db2.gz WIEIJABKXMUNFP-CYBMUJFWSA-N 1 0 325.250 2.707 40 0 EFABRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccco1 ZINC000192024480 473609333 /nfs/dbraw/zinc/60/93/33/473609333.db2.gz DILZWZQQUDITCT-DOTOQJQBSA-N 1 0 334.803 2.669 40 0 EFABRO C[C@@]1(CNC(=O)NCc2nccs2)CCC[N@@H+]1Cc1ccccc1 ZINC000186355964 473658196 /nfs/dbraw/zinc/65/81/96/473658196.db2.gz WSXNPQCHIVMGEK-SFHVURJKSA-N 1 0 344.484 2.997 40 0 EFABRO C[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)C1CCS(=O)(=O)CC1 ZINC000192727810 473713594 /nfs/dbraw/zinc/71/35/94/473713594.db2.gz BRLYIKBOFQPQSN-CYBMUJFWSA-N 1 0 347.484 2.674 40 0 EFABRO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000246124659 473784542 /nfs/dbraw/zinc/78/45/42/473784542.db2.gz YXZLIXJEDLBQLP-APWZRJJASA-N 1 0 344.499 2.962 40 0 EFABRO Brc1ccc2[nH]c(C[N@@H+]3CC[C@]4(CCOC4)C3)nc2c1 ZINC000187153991 473828400 /nfs/dbraw/zinc/82/84/00/473828400.db2.gz NDJHHGKKXMZMCB-HNNXBMFYSA-N 1 0 336.233 2.938 40 0 EFABRO C[C@H](C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975263 473949079 /nfs/dbraw/zinc/94/90/79/473949079.db2.gz ICYOFGPLAUHLOG-MLGOLLRUSA-N 1 0 332.835 2.572 40 0 EFABRO c1c[nH]c([C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048990 473998294 /nfs/dbraw/zinc/99/82/94/473998294.db2.gz WTTFEDYHWBMBPK-ROUUACIJSA-N 1 0 325.460 2.748 40 0 EFABRO Cc1c[nH+]ccc1N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000195342045 474061148 /nfs/dbraw/zinc/06/11/48/474061148.db2.gz YXCZELIVKHBGHP-CQSZACIVSA-N 1 0 338.411 2.590 40 0 EFABRO CC(C)(NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1Cl ZINC000195543518 474091346 /nfs/dbraw/zinc/09/13/46/474091346.db2.gz ODZXYNQPPACMJG-LBPRGKRZSA-N 1 0 328.815 2.599 40 0 EFABRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000195541273 474091388 /nfs/dbraw/zinc/09/13/88/474091388.db2.gz HEBOVJSZCSHYDP-XJKSGUPXSA-N 1 0 340.514 2.773 40 0 EFABRO O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000195543279 474091815 /nfs/dbraw/zinc/09/18/15/474091815.db2.gz YFVNANHNQKHKQS-DLBZAZTESA-N 1 0 348.805 2.673 40 0 EFABRO Cc1c(C(=O)N2CCC[C@H](CCC(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000195543722 474092962 /nfs/dbraw/zinc/09/29/62/474092962.db2.gz LNICXNQPPKTRGD-MRXNPFEDSA-N 1 0 347.507 2.799 40 0 EFABRO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC(F)F ZINC000195548288 474093095 /nfs/dbraw/zinc/09/30/95/474093095.db2.gz IEZRRDFGHIPARY-KGLIPLIRSA-N 1 0 326.387 2.965 40 0 EFABRO CN(C(=O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000195545085 474093398 /nfs/dbraw/zinc/09/33/98/474093398.db2.gz DICSTNGHKVQGCN-PBWFPOADSA-N 1 0 326.362 2.989 40 0 EFABRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000195547079 474093410 /nfs/dbraw/zinc/09/34/10/474093410.db2.gz TZYUFVILGXCPOO-YNEHKIRRSA-N 1 0 343.290 2.849 40 0 EFABRO CO[C@H](C)c1nc(CN(C)C(=O)[C@H]2[NH2+]CCc3ccccc32)cs1 ZINC000195543851 474093511 /nfs/dbraw/zinc/09/35/11/474093511.db2.gz ZQBAVIZWCSHDIT-WBMJQRKESA-N 1 0 345.468 2.696 40 0 EFABRO OC[C@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557677 474093885 /nfs/dbraw/zinc/09/38/85/474093885.db2.gz VBHFUSNAXDMQBH-KBXCAEBGSA-N 1 0 330.403 2.875 40 0 EFABRO COc1ccc(C(=O)N2CCC[N@H+](CC3(C)CCOCC3)CC2)cc1 ZINC000195561811 474095514 /nfs/dbraw/zinc/09/55/14/474095514.db2.gz GEGOXCHUEALJET-UHFFFAOYSA-N 1 0 346.471 2.660 40 0 EFABRO COc1ccc(CN2CC[NH+](C)CC2)cc1NCc1ncccc1C ZINC000195557897 474095755 /nfs/dbraw/zinc/09/57/55/474095755.db2.gz IVGUFMJISKBGHI-UHFFFAOYSA-N 1 0 340.471 2.758 40 0 EFABRO C[C@@H](C[NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000195573288 474098233 /nfs/dbraw/zinc/09/82/33/474098233.db2.gz FBMVFUQOZFDTMM-AWEZNQCLSA-N 1 0 337.895 2.586 40 0 EFABRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000195570377 474098462 /nfs/dbraw/zinc/09/84/62/474098462.db2.gz JLFHNTFQJPRKBC-CYBMUJFWSA-N 1 0 348.878 2.957 40 0 EFABRO COc1ccc(C(=O)N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000222218459 474166951 /nfs/dbraw/zinc/16/69/51/474166951.db2.gz ZWUFFHHUFFLOMC-CGTJXYLNSA-N 1 0 326.440 2.665 40 0 EFABRO Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223252888 474182702 /nfs/dbraw/zinc/18/27/02/474182702.db2.gz BWFULUAQLLIRFM-CABCVRRESA-N 1 0 346.525 2.986 40 0 EFABRO COc1ccccc1NC(=S)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225213593 474204596 /nfs/dbraw/zinc/20/45/96/474204596.db2.gz IYAZNVXSJOIUQQ-UHFFFAOYSA-N 1 0 349.500 2.625 40 0 EFABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCC2)c1C ZINC000225433527 474212401 /nfs/dbraw/zinc/21/24/01/474212401.db2.gz IFEFAZQUOQBCSM-UHFFFAOYSA-N 1 0 335.473 2.554 40 0 EFABRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@@H]2CCCOC2)cc1 ZINC000225423025 474212516 /nfs/dbraw/zinc/21/25/16/474212516.db2.gz HPQBTNJYRQYEOM-LPHOPBHVSA-N 1 0 346.471 2.765 40 0 EFABRO O=C(CC1CC[NH2+]CC1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000225445109 474213050 /nfs/dbraw/zinc/21/30/50/474213050.db2.gz ZMGDQBBWYAOPPI-UHFFFAOYSA-N 1 0 330.350 2.634 40 0 EFABRO O=C1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CN1CC(F)(F)F ZINC000225464131 474215004 /nfs/dbraw/zinc/21/50/04/474215004.db2.gz HIGTVUFLLSHESJ-GUBZILKMSA-N 1 0 332.288 2.860 40 0 EFABRO COCC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468179 474215240 /nfs/dbraw/zinc/21/52/40/474215240.db2.gz WTUVWZFRZWPYCB-CZUORRHYSA-N 1 0 345.892 2.832 40 0 EFABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](CC4CCOCC4)C3)C2)n1 ZINC000247882677 474220850 /nfs/dbraw/zinc/22/08/50/474220850.db2.gz RVASWWMFVVWCME-GOSISDBHSA-N 1 0 348.512 2.893 40 0 EFABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000247894588 474221798 /nfs/dbraw/zinc/22/17/98/474221798.db2.gz CAWRHIMPIGMXPX-PXNSSMCTSA-N 1 0 343.471 2.705 40 0 EFABRO Cc1nc2ccccc2c(C)c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000225559543 474223369 /nfs/dbraw/zinc/22/33/69/474223369.db2.gz KNAAWMISWNTDLH-UHFFFAOYSA-N 1 0 341.455 2.692 40 0 EFABRO C[C@H](c1nnnn1C)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000225545263 474224235 /nfs/dbraw/zinc/22/42/35/474224235.db2.gz VDPPDYBHXJGMBK-MRXNPFEDSA-N 1 0 342.491 2.505 40 0 EFABRO COc1cccc(CN2Cc3ccnn3C[C@H](C[NH+]3CCCC3)C2)c1 ZINC000247924392 474226465 /nfs/dbraw/zinc/22/64/65/474226465.db2.gz YZGOMLLNZHEKJA-GOSISDBHSA-N 1 0 340.471 2.620 40 0 EFABRO O=C1[C@@H](NCc2cncnc2)CCN1c1ccc(Cl)cc1Cl ZINC000225594010 474227290 /nfs/dbraw/zinc/22/72/90/474227290.db2.gz SVVNZTUCUCQCLL-ZDUSSCGKSA-N 1 0 337.210 2.679 40 0 EFABRO CC(C)[N@@H+]1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]21 ZINC000247950708 474230917 /nfs/dbraw/zinc/23/09/17/474230917.db2.gz BYVMAJNWEWAQNS-IKGGRYGDSA-N 1 0 335.517 2.623 40 0 EFABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225643546 474232949 /nfs/dbraw/zinc/23/29/49/474232949.db2.gz AAORZBBITHLXRW-IBGZPJMESA-N 1 0 332.444 2.915 40 0 EFABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]([NH3+])C[C@@H](C1)N2Cc1ccccc1 ZINC000265540592 474248428 /nfs/dbraw/zinc/24/84/28/474248428.db2.gz IFWGOUIKYKUCBK-OSYLJGHBSA-N 1 0 331.460 2.598 40 0 EFABRO Cc1nc(CO[C@@H]2Cn3nccc3C[N@@H+](C3CCCC3)C2)cs1 ZINC000248032788 474248418 /nfs/dbraw/zinc/24/84/18/474248418.db2.gz MOHVSRRXCYWAKT-KRWDZBQOSA-N 1 0 332.473 2.992 40 0 EFABRO Fc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1F ZINC000228934239 474251271 /nfs/dbraw/zinc/25/12/71/474251271.db2.gz NBKFMZCGXMNCFM-UHFFFAOYSA-N 1 0 330.342 2.773 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)s1 ZINC000248070144 474256419 /nfs/dbraw/zinc/25/64/19/474256419.db2.gz FXMNTOFPJLRWJJ-FUHWJXTLSA-N 1 0 347.484 2.703 40 0 EFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000248100429 474259363 /nfs/dbraw/zinc/25/93/63/474259363.db2.gz DPJLPRZCEGBGCK-CQSZACIVSA-N 1 0 336.863 2.913 40 0 EFABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)s1 ZINC000248124363 474262726 /nfs/dbraw/zinc/26/27/26/474262726.db2.gz WLEBBYSTXLBLCK-BHYGNILZSA-N 1 0 345.468 2.905 40 0 EFABRO COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000248133228 474265809 /nfs/dbraw/zinc/26/58/09/474265809.db2.gz LMEYPNLYQCYLRF-KBAYOESNSA-N 1 0 332.444 2.769 40 0 EFABRO CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000248140261 474268837 /nfs/dbraw/zinc/26/88/37/474268837.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 1 0 327.428 2.540 40 0 EFABRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000235638867 474270130 /nfs/dbraw/zinc/27/01/30/474270130.db2.gz AJAANCHXKKRTGO-YGRLFVJLSA-N 1 0 327.222 2.545 40 0 EFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)CCc3ccccc3C)C2)C1 ZINC000248150578 474270635 /nfs/dbraw/zinc/27/06/35/474270635.db2.gz TXDASFHSKIHIRS-GOSISDBHSA-N 1 0 344.499 2.887 40 0 EFABRO Cc1cc(F)c(F)cc1C(=O)N1CCOC[C@@H](CC[NH+](C)C)[C@@H]1C ZINC000248154344 474272776 /nfs/dbraw/zinc/27/27/76/474272776.db2.gz YPMPYIJXMGGUPM-UONOGXRCSA-N 1 0 340.414 2.702 40 0 EFABRO O=C1[C@@H]([NH2+][C@@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031692 474309424 /nfs/dbraw/zinc/30/94/24/474309424.db2.gz UQGSGIOJEHATAO-CABCVRRESA-N 1 0 342.361 2.575 40 0 EFABRO O=C1[C@H]([NH2+][C@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031748 474310527 /nfs/dbraw/zinc/31/05/27/474310527.db2.gz UQGSGIOJEHATAO-LSDHHAIUSA-N 1 0 342.361 2.575 40 0 EFABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)nn1 ZINC000283227326 474344051 /nfs/dbraw/zinc/34/40/51/474344051.db2.gz TYUVCSSWBHVCSL-CVEARBPZSA-N 1 0 331.416 2.947 40 0 EFABRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248745378 474423169 /nfs/dbraw/zinc/42/31/69/474423169.db2.gz RVAGPGOUJRXOMF-DZJNRPSUSA-N 1 0 349.496 2.704 40 0 EFABRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccncc3)cc2)CC1 ZINC000283744789 474484016 /nfs/dbraw/zinc/48/40/16/474484016.db2.gz BFHRBUMMFLDSJM-UHFFFAOYSA-N 1 0 340.427 2.876 40 0 EFABRO CCc1nnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000249115704 474529190 /nfs/dbraw/zinc/52/91/90/474529190.db2.gz YOSOSPQLBLGYPD-OCCSQVGLSA-N 1 0 331.445 2.667 40 0 EFABRO O=S(=O)(c1ccccc1)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000238871977 474542607 /nfs/dbraw/zinc/54/26/07/474542607.db2.gz NCZBKZWCVWHCQF-SFHVURJKSA-N 1 0 342.464 2.508 40 0 EFABRO COc1ccccc1C(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238956708 474544230 /nfs/dbraw/zinc/54/42/30/474544230.db2.gz YASJPVIKBUJYKQ-GOSISDBHSA-N 1 0 336.435 2.968 40 0 EFABRO FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]Cc3cncnc3)C2)c1 ZINC000241160538 474552755 /nfs/dbraw/zinc/55/27/55/474552755.db2.gz JYBDQDBYWYBWEG-ZDUSSCGKSA-N 1 0 338.333 2.744 40 0 EFABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000242463416 474559511 /nfs/dbraw/zinc/55/95/11/474559511.db2.gz DAILXBGNKDRPOR-RRFJBIMHSA-N 1 0 325.792 2.746 40 0 EFABRO O=C(COCc1ccccc1)N1CCC(Oc2ccncc2)CC1 ZINC000245026578 474569886 /nfs/dbraw/zinc/56/98/86/474569886.db2.gz NBDADQJAFUJWKA-UHFFFAOYSA-N 1 0 326.396 2.668 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2)C1 ZINC000245225356 474572706 /nfs/dbraw/zinc/57/27/06/474572706.db2.gz SYBFTQSYUZTMNH-JTDSTZFVSA-N 1 0 330.472 2.960 40 0 EFABRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245266886 474572754 /nfs/dbraw/zinc/57/27/54/474572754.db2.gz KNUMYPWPQPYLBT-FMKPAKJESA-N 1 0 329.444 2.625 40 0 EFABRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000245289811 474573669 /nfs/dbraw/zinc/57/36/69/474573669.db2.gz FGSWXICBKPVXMT-ZOCIIQOWSA-N 1 0 330.472 2.517 40 0 EFABRO CC(C)N1CC[C@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339022 474574505 /nfs/dbraw/zinc/57/45/05/474574505.db2.gz PZFORTKNLNTSBE-GOEBONIOSA-N 1 0 334.370 2.642 40 0 EFABRO CCO[C@H](CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000245358639 474574641 /nfs/dbraw/zinc/57/46/41/474574641.db2.gz ZZKAAJQENLMIMB-ZWKOTPCHSA-N 1 0 337.508 2.852 40 0 EFABRO C[C@H](NC(=O)CC[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000245339104 474574869 /nfs/dbraw/zinc/57/48/69/474574869.db2.gz QLPDOFARRJGHJC-RGIVZKHGSA-N 1 0 330.472 2.999 40 0 EFABRO CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000245344035 474575153 /nfs/dbraw/zinc/57/51/53/474575153.db2.gz WZDWGULRTBJRKJ-DGGJZMOXSA-N 1 0 335.517 2.720 40 0 EFABRO Cc1ccc(C[NH+]2CCC(CNC(=O)N3CCCCO3)CC2)cc1 ZINC000252481557 474667497 /nfs/dbraw/zinc/66/74/97/474667497.db2.gz COBBGUAVFMKZNW-UHFFFAOYSA-N 1 0 331.460 2.944 40 0 EFABRO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000252487604 474672732 /nfs/dbraw/zinc/67/27/32/474672732.db2.gz ZJEVVRJGGITSDO-NUJGCVRESA-N 1 0 333.476 2.826 40 0 EFABRO C[C@H]1C[C@H](CNC(=O)NCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000252509604 474686773 /nfs/dbraw/zinc/68/67/73/474686773.db2.gz YRHIYRIADNKISI-FUHWJXTLSA-N 1 0 345.487 2.501 40 0 EFABRO C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000252539001 474696749 /nfs/dbraw/zinc/69/67/49/474696749.db2.gz NQUJIBFSHIZXMR-APWZRJJASA-N 1 0 345.487 2.585 40 0 EFABRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000252585714 474699655 /nfs/dbraw/zinc/69/96/55/474699655.db2.gz KLVIAGOJILPPTJ-HYVNUMGLSA-N 1 0 325.474 2.704 40 0 EFABRO CN(C)C(=O)OCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252586710 474699674 /nfs/dbraw/zinc/69/96/74/474699674.db2.gz RZKOSDXVBAWACS-KBPBESRZSA-N 1 0 346.349 2.511 40 0 EFABRO C[C@@H]1CC[C@H]([NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)C[C@@H]1C ZINC000253370302 474727576 /nfs/dbraw/zinc/72/75/76/474727576.db2.gz PANPJNAPCFQZKI-OSFYFWSMSA-N 1 0 333.398 2.974 40 0 EFABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCC(F)(F)C1 ZINC000253397373 474737176 /nfs/dbraw/zinc/73/71/76/474737176.db2.gz PXGWVQDLZKGWST-HNNXBMFYSA-N 1 0 344.446 2.963 40 0 EFABRO O=S1(=O)CCCN1[C@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000253398467 474737185 /nfs/dbraw/zinc/73/71/85/474737185.db2.gz RAYWELQYFDFJSX-HNNXBMFYSA-N 1 0 346.562 2.552 40 0 EFABRO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](C3CCC3)CCN21 ZINC000253399549 474737661 /nfs/dbraw/zinc/73/76/61/474737661.db2.gz JRBGXORGKKFTDD-INIZCTEOSA-N 1 0 345.462 2.599 40 0 biogenic,in-vitro EFABRO Cn1cc(-c2cc(C[NH+]3CCC(Cc4cccnc4)CC3)on2)cn1 ZINC000253421160 474748732 /nfs/dbraw/zinc/74/87/32/474748732.db2.gz QYAGYNDOCYAXNV-UHFFFAOYSA-N 1 0 337.427 2.925 40 0 EFABRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000253427313 474752741 /nfs/dbraw/zinc/75/27/41/474752741.db2.gz LRAWJNNWLAITAP-ZDUSSCGKSA-N 1 0 333.505 2.933 40 0 EFABRO Nc1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)ccn1 ZINC000253432473 474758446 /nfs/dbraw/zinc/75/84/46/474758446.db2.gz KNJYCDAIHUDZBK-NSHDSACASA-N 1 0 325.338 2.785 40 0 EFABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[NH2+]C4)nn3c2)c1OC ZINC000306124705 474806765 /nfs/dbraw/zinc/80/67/65/474806765.db2.gz BWZRYZRIBRADMF-CYBMUJFWSA-N 1 0 338.411 2.881 40 0 EFABRO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306128516 474807178 /nfs/dbraw/zinc/80/71/78/474807178.db2.gz HCWSWOIDALXQKT-AYOQOUSVSA-N 1 0 346.515 2.772 40 0 EFABRO c1nn2ccc(-c3cccnc3)cc2c1N1CC[NH+](CC2CC2)CC1 ZINC000306126294 474807743 /nfs/dbraw/zinc/80/77/43/474807743.db2.gz DRYUUVBINIDPIZ-UHFFFAOYSA-N 1 0 333.439 2.928 40 0 EFABRO Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cn1 ZINC000306132750 474808718 /nfs/dbraw/zinc/80/87/18/474808718.db2.gz LQZGHNKFJDDYIA-QZTJIDSGSA-N 1 0 333.439 2.588 40 0 EFABRO O=C(C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)NCc1ccco1 ZINC000306137062 474809669 /nfs/dbraw/zinc/80/96/69/474809669.db2.gz QKMVPMSZCWCNFS-OAHLLOKOSA-N 1 0 340.423 2.974 40 0 EFABRO Cc1ccc2c(n1)-n1cncc1C1(CC[NH+](Cc3cccnc3)CC1)N2 ZINC000306138854 474812141 /nfs/dbraw/zinc/81/21/41/474812141.db2.gz SJJKVRBCTQLTSN-UHFFFAOYSA-N 1 0 346.438 2.888 40 0 EFABRO CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000257281395 474928698 /nfs/dbraw/zinc/92/86/98/474928698.db2.gz OOYWLNZUUZSQJV-KRWDZBQOSA-N 1 0 339.443 2.557 40 0 EFABRO Cc1ncsc1C(=O)N1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257283169 474930003 /nfs/dbraw/zinc/93/00/03/474930003.db2.gz OXAJCGDXFIQJIH-ZDUSSCGKSA-N 1 0 330.457 2.851 40 0 EFABRO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)CC=CCOC3)cc1 ZINC000257290088 474933718 /nfs/dbraw/zinc/93/37/18/474933718.db2.gz QBNGVLRRMCUOSM-UHFFFAOYSA-N 1 0 330.428 2.692 40 0 EFABRO Cc1ccncc1C[N@@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257289044 474934277 /nfs/dbraw/zinc/93/42/77/474934277.db2.gz PWSWVBWVBLLPTE-INIZCTEOSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1cccc2nc(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)cn21 ZINC000257291244 474936220 /nfs/dbraw/zinc/93/62/20/474936220.db2.gz QGFLDSAFHTUHFV-LPHOPBHVSA-N 1 0 326.444 2.780 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257291797 474936712 /nfs/dbraw/zinc/93/67/12/474936712.db2.gz QIQAKQROMSIIBU-HNNXBMFYSA-N 1 0 345.418 2.672 40 0 EFABRO Cc1cncc(C2CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)n1 ZINC000257304337 474942723 /nfs/dbraw/zinc/94/27/23/474942723.db2.gz SLCUAPSABUHYHJ-UHFFFAOYSA-N 1 0 338.459 2.555 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)n1 ZINC000257305831 474942862 /nfs/dbraw/zinc/94/28/62/474942862.db2.gz SRSYGXXBJNGUKW-RTBURBONSA-N 1 0 330.403 2.933 40 0 EFABRO CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cn1 ZINC000257308622 474946292 /nfs/dbraw/zinc/94/62/92/474946292.db2.gz TXKYEEAYAAEQMQ-QGZVFWFLSA-N 1 0 341.459 2.898 40 0 EFABRO CO[C@H]1CCCOC12CC[NH+](Cc1cnn3c1nc(C)cc3C)CC2 ZINC000257311884 474948187 /nfs/dbraw/zinc/94/81/87/474948187.db2.gz ULKTULQYTWNIJD-KRWDZBQOSA-N 1 0 344.459 2.506 40 0 EFABRO Cc1noc(C)c1CC(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257319871 474950773 /nfs/dbraw/zinc/95/07/73/474950773.db2.gz VUJUPLRPXYYGDN-QGZVFWFLSA-N 1 0 336.395 2.814 40 0 EFABRO Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(C[NH+]3CCCC3)n2)no1 ZINC000257319244 474951362 /nfs/dbraw/zinc/95/13/62/474951362.db2.gz VRMFXOWNAODORS-GOSISDBHSA-N 1 0 340.427 2.951 40 0 EFABRO Cn1ccnc1CN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257319808 474951698 /nfs/dbraw/zinc/95/16/98/474951698.db2.gz VUCLCGANINVJMX-ZWOKBUDYSA-N 1 0 338.455 2.795 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257321868 474953267 /nfs/dbraw/zinc/95/32/67/474953267.db2.gz WDPMSVXSQCTPCT-AWEZNQCLSA-N 1 0 349.438 2.962 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3ccccc3F)CCO2)c1 ZINC000257325808 474954938 /nfs/dbraw/zinc/95/49/38/474954938.db2.gz WUNCRNMMYJRIAA-KRWDZBQOSA-N 1 0 329.375 2.785 40 0 EFABRO O=C(C1CCC1)N(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257327502 474956510 /nfs/dbraw/zinc/95/65/10/474956510.db2.gz XBPGOLGYXPNHEU-QGZVFWFLSA-N 1 0 332.419 2.870 40 0 EFABRO O=C(c1cscn1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257330118 474956810 /nfs/dbraw/zinc/95/68/10/474956810.db2.gz XMXQVOHOFPGMBL-XIRDDKMYSA-N 1 0 327.453 2.893 40 0 EFABRO Cc1c[nH]c(-c2cnc(C[C@H]3CC[N@H+](Cc4cncs4)C3)cn2)n1 ZINC000257330196 474957235 /nfs/dbraw/zinc/95/72/35/474957235.db2.gz XNHGPYRVVPKERR-CYBMUJFWSA-N 1 0 340.456 2.696 40 0 EFABRO COc1cccc([C@H]2CN(c3nc(C)cc(C)n3)[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000257329757 474958095 /nfs/dbraw/zinc/95/80/95/474958095.db2.gz XLKCRPYFIMMSNM-GUDVDZBRSA-N 1 0 338.455 2.684 40 0 EFABRO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000257332633 474960172 /nfs/dbraw/zinc/96/01/72/474960172.db2.gz XYBSVWBVGAISAM-NSHDSACASA-N 1 0 330.457 2.783 40 0 EFABRO Cc1nc([C@@H]2CCCC[NH2+]2)nc2c1CCCN2CCc1ccccn1 ZINC000257338442 474963923 /nfs/dbraw/zinc/96/39/23/474963923.db2.gz YXKRKTWHNFJSNI-SFHVURJKSA-N 1 0 337.471 2.990 40 0 EFABRO Cn1cc(CN2CC[N@H+](C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343296 474965205 /nfs/dbraw/zinc/96/52/05/474965205.db2.gz ZSHSQAYDLQLHFS-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)[nH+]1 ZINC000257344680 474965241 /nfs/dbraw/zinc/96/52/41/474965241.db2.gz ZYGSJQJWPOHOEG-SFHVURJKSA-N 1 0 343.402 2.809 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)[nH+]1 ZINC000257344679 474965888 /nfs/dbraw/zinc/96/58/88/474965888.db2.gz ZYGSJQJWPOHOEG-GOSISDBHSA-N 1 0 343.402 2.809 40 0 EFABRO CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000332307492 475594895 /nfs/dbraw/zinc/59/48/95/475594895.db2.gz JSYXWIKCJOYNIH-UHFFFAOYSA-N 1 0 326.828 2.692 40 0 EFABRO Cc1ccc(C(C)(C)[NH2+]Cc2cnc(N3CCOCC3)s2)cn1 ZINC000332352498 475609643 /nfs/dbraw/zinc/60/96/43/475609643.db2.gz ZPXWTECGOCDBSQ-UHFFFAOYSA-N 1 0 332.473 2.708 40 0 EFABRO Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cnc1N1CCCC[C@H]1C ZINC000333201891 475868367 /nfs/dbraw/zinc/86/83/67/475868367.db2.gz YABIBABFVATISL-HZPDHXFCSA-N 1 0 345.491 2.890 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(c3nnc(C4CC4)o3)CC2)cc1 ZINC000333413360 475929366 /nfs/dbraw/zinc/92/93/66/475929366.db2.gz GWCPGJIAXWNKCO-UHFFFAOYSA-N 1 0 328.416 2.668 40 0 EFABRO CCOc1ccc(OCC)c(-c2cn(O)c3c([n+]2=O)CCCC3)c1 ZINC000334157775 476122986 /nfs/dbraw/zinc/12/29/86/476122986.db2.gz GTTRLLVSDNKGCQ-UHFFFAOYSA-N 1 0 331.392 2.983 40 0 EFABRO O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788344 478846746 /nfs/dbraw/zinc/84/67/46/478846746.db2.gz LIOKTPLQXGBAPI-DOTOQJQBSA-N 1 0 335.398 2.551 40 0 EFABRO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@H+](CC2CCCC2)C1 ZINC000585095514 479279476 /nfs/dbraw/zinc/27/94/76/479279476.db2.gz UXQOHPXMWXHQQJ-SFHVURJKSA-N 1 0 347.503 2.605 40 0 EFABRO O=C(c1ccccc1)N1CCC2(CO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000585104730 479286476 /nfs/dbraw/zinc/28/64/76/479286476.db2.gz LQHOYDIOAPTIJJ-GOSISDBHSA-N 1 0 328.456 2.794 40 0 EFABRO CC[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109730 479286925 /nfs/dbraw/zinc/28/69/25/479286925.db2.gz MJGBJUAWEMFZMO-CMWZQWETSA-N 1 0 342.483 2.690 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(Cc2cnn(C(C)C)c2)Cc2ccnn21 ZINC000585112588 479288968 /nfs/dbraw/zinc/28/89/68/479288968.db2.gz UBRCAJLGHYJIQS-IBGZPJMESA-N 1 0 344.507 2.949 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(Cc2cccc(C)n2)Cc2ccnn21 ZINC000585112646 479289228 /nfs/dbraw/zinc/28/92/28/479289228.db2.gz SNONIWAEDDGVOM-IBGZPJMESA-N 1 0 327.476 2.875 40 0 EFABRO COc1ccccc1N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000585140890 479298505 /nfs/dbraw/zinc/29/85/05/479298505.db2.gz LECBHUVNMDMULA-UHFFFAOYSA-N 1 0 326.440 2.946 40 0 EFABRO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000585141388 479298854 /nfs/dbraw/zinc/29/88/54/479298854.db2.gz VEDSSXVVUDHLIL-ZBFHGGJFSA-N 1 0 326.444 2.724 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000585182279 479302133 /nfs/dbraw/zinc/30/21/33/479302133.db2.gz PKRLGTZNTHKMPM-FQEVSTJZSA-N 1 0 349.434 2.892 40 0 EFABRO OC[C@@]1(c2cccc(-c3cnc4ccc(Cl)cn43)n2)CCC[NH2+]C1 ZINC000585263054 479303251 /nfs/dbraw/zinc/30/32/51/479303251.db2.gz XUWDLYMYJSIYHL-GOSISDBHSA-N 1 0 342.830 2.663 40 0 EFABRO NC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182529 479304123 /nfs/dbraw/zinc/30/41/23/479304123.db2.gz DZYLPCPPRDXNAI-AWEZNQCLSA-N 1 0 349.438 2.512 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@@](O)(COc3ccccc3C)C2)[nH]1 ZINC000585277661 479305973 /nfs/dbraw/zinc/30/59/73/479305973.db2.gz NUEOXGRJPLYJGD-IBGZPJMESA-N 1 0 329.444 2.605 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@](O)(COc3cccc(C)c3)C2)[nH]1 ZINC000585277845 479307458 /nfs/dbraw/zinc/30/74/58/479307458.db2.gz QAZZUKPHORINDD-LJQANCHMSA-N 1 0 329.444 2.605 40 0 EFABRO Cc1cc(OC[C@]2(O)COCC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000585284611 479307746 /nfs/dbraw/zinc/30/77/46/479307746.db2.gz YQLISZCCWSOUJT-LJQANCHMSA-N 1 0 337.435 2.909 40 0 EFABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](C3CCCC3)CC[C@@H]2O)c1 ZINC000585285096 479308407 /nfs/dbraw/zinc/30/84/07/479308407.db2.gz CJMSPTNTHJKMPH-PMACEKPBSA-N 1 0 333.472 2.731 40 0 EFABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000585289209 479309199 /nfs/dbraw/zinc/30/91/99/479309199.db2.gz GABMXXWDTCUDMC-IPMKNSEASA-N 1 0 330.403 2.714 40 0 EFABRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)o1 ZINC000585287293 479309241 /nfs/dbraw/zinc/30/92/41/479309241.db2.gz XCAYVMYQFCDVSV-LSBZLQRGSA-N 1 0 330.428 2.654 40 0 EFABRO CN(CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)C1CCCC1 ZINC000585288985 479309580 /nfs/dbraw/zinc/30/95/80/479309580.db2.gz MBOPDYMNIAJQQX-XUVXKRRUSA-N 1 0 332.488 2.811 40 0 EFABRO CCn1nccc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288825 479310147 /nfs/dbraw/zinc/31/01/47/479310147.db2.gz JWYWQSVNZORCGR-IPMKNSEASA-N 1 0 329.444 2.696 40 0 EFABRO OCC1CC[NH+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585290038 479311111 /nfs/dbraw/zinc/31/11/11/479311111.db2.gz QHISOIGKCXIFOD-RCCFBDPRSA-N 1 0 339.863 2.705 40 0 EFABRO O=C(CCSc1ccccc1)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575605688 479450740 /nfs/dbraw/zinc/45/07/40/479450740.db2.gz GTPWTDOZYHRQRF-KRWDZBQOSA-N 1 0 348.512 2.786 40 0 EFABRO CC[C@H](C(=O)NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000575608363 479451641 /nfs/dbraw/zinc/45/16/41/479451641.db2.gz SKAXBQSIIJANQU-MOPGFXCFSA-N 1 0 330.472 2.797 40 0 EFABRO COc1cccc2c1CC[C@@H]2NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187305674 533864223 /nfs/dbraw/zinc/86/42/23/533864223.db2.gz XUHPRDGQYLFKKD-INIZCTEOSA-N 1 0 331.460 2.808 40 0 EFABRO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1F ZINC000130202473 534091072 /nfs/dbraw/zinc/09/10/72/534091072.db2.gz VZFSMEPQQMVJHU-OLZOCXBDSA-N 1 0 325.403 2.661 40 0 EFABRO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000181944988 534157986 /nfs/dbraw/zinc/15/79/86/534157986.db2.gz XLLFDXPJPUZXQN-ZDUSSCGKSA-N 1 0 348.834 2.630 40 0 EFABRO COC(=O)c1coc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000184077114 534313753 /nfs/dbraw/zinc/31/37/53/534313753.db2.gz VUVNRSWAUBYZLZ-OAHLLOKOSA-N 1 0 340.379 2.691 40 0 EFABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000017245396 524231433 /nfs/dbraw/zinc/23/14/33/524231433.db2.gz HRWPKBAYEVQBLV-CHWSQXEVSA-N 1 0 328.250 2.921 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@H](CO)c2ccc(Cl)c(F)c2)CC1 ZINC000133346660 526702224 /nfs/dbraw/zinc/70/22/24/526702224.db2.gz FNGWTHULAVIKIM-SEEARECTSA-N 1 0 328.815 2.549 40 0 EFABRO CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cn1 ZINC000191475291 528844073 /nfs/dbraw/zinc/84/40/73/528844073.db2.gz NPKUJSKJHWNSPX-QGZVFWFLSA-N 1 0 325.460 2.690 40 0 EFABRO CCC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000155233135 528987783 /nfs/dbraw/zinc/98/77/83/528987783.db2.gz CFYSDEREDAZYEW-KGLIPLIRSA-N 1 0 330.350 2.651 40 0 EFABRO CC(C)([NH3+])C(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 ZINC000257208605 535194245 /nfs/dbraw/zinc/19/42/45/535194245.db2.gz BMVQJXMORPHBQT-CQSZACIVSA-N 1 0 344.390 2.809 40 0 EFABRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969494 535413291 /nfs/dbraw/zinc/41/32/91/535413291.db2.gz UWQORDYKBWRBKB-RTBURBONSA-N 1 0 341.455 2.936 40 0 EFABRO CCCn1cc(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cn1 ZINC000257235963 535610317 /nfs/dbraw/zinc/61/03/17/535610317.db2.gz HAHBXEGGMZUKHE-RTBURBONSA-N 1 0 329.444 2.697 40 0 EFABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)on2)nc1 ZINC000257243808 536020899 /nfs/dbraw/zinc/02/08/99/536020899.db2.gz IIQUQDUDMCLFCF-QGZVFWFLSA-N 1 0 340.427 2.986 40 0 EFABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccncc2)nc1 ZINC000257253383 536020965 /nfs/dbraw/zinc/02/09/65/536020965.db2.gz JYQVZUIFISPTAQ-ZLQZBKBYSA-N 1 0 336.439 2.915 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1 ZINC000257276180 536050628 /nfs/dbraw/zinc/05/06/28/536050628.db2.gz NSQMVBSJZDSNBO-HNNXBMFYSA-N 1 0 346.381 2.794 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cccc(F)c2)n1 ZINC000257230954 536051000 /nfs/dbraw/zinc/05/10/00/536051000.db2.gz GEPIWXRWBSVSOD-INIZCTEOSA-N 1 0 328.391 2.655 40 0 EFABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3ncccc3F)CC2)cn1 ZINC000257232216 536421587 /nfs/dbraw/zinc/42/15/87/536421587.db2.gz GJWGELBIHBCDCF-AWEZNQCLSA-N 1 0 329.423 2.897 40 0 EFABRO CO[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@]12CCCO2 ZINC000257277179 536767621 /nfs/dbraw/zinc/76/76/21/536767621.db2.gz NWTLLBCCWLHOSG-HKUYNNGSSA-N 1 0 325.412 2.523 40 0 EFABRO COC[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289794 536826910 /nfs/dbraw/zinc/82/69/10/536826910.db2.gz FEPMXSHENAYPHZ-RBOXIYTFSA-N 1 0 342.842 2.871 40 0 EFABRO COc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1OC ZINC000217562443 536896901 /nfs/dbraw/zinc/89/69/01/536896901.db2.gz SFLIVQHIJHUOLR-CQSZACIVSA-N 1 0 339.399 2.623 40 0 EFABRO COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C[NH3+])cc1 ZINC000218110391 536947252 /nfs/dbraw/zinc/94/72/52/536947252.db2.gz YDPRFBSUSXTTCJ-KURKYZTESA-N 1 0 331.437 2.518 40 0 EFABRO C[C@@H](C[NH2+][C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000225583123 564149803 /nfs/dbraw/zinc/14/98/03/564149803.db2.gz STQGWJWPAJFOHU-HOTGVXAUSA-N 1 0 349.438 2.988 40 0 EFABRO C[C@H](C[NH2+][C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000225583172 564149822 /nfs/dbraw/zinc/14/98/22/564149822.db2.gz STQGWJWPAJFOHU-CVEARBPZSA-N 1 0 349.438 2.988 40 0 EFABRO [NH3+]CCCCCC(=O)NCCCCCC(=O)OCc1ccccc1 ZINC000198991377 1248899759 /nfs/dbraw/zinc/89/97/59/1248899759.db2.gz IAJKNNKUHXYCBW-UHFFFAOYSA-N 1 0 334.460 2.926 40 0 EFABRO CC[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](CO)[C@@H]1C[NH+](CC)CC ZINC001772594841 1249136543 /nfs/dbraw/zinc/13/65/43/1249136543.db2.gz ADVDIGIZVBLUEK-VAMGGRTRSA-N 1 0 346.515 2.807 40 0 EFABRO CC[C@@H]1CN(C(=O)CC(C)C)[C@H](CO)[C@@H]1C[NH+]1CCC(F)(F)CC1 ZINC001772595070 1249154987 /nfs/dbraw/zinc/15/49/87/1249154987.db2.gz UPZCTNLKFGXWHD-BZUAXINKSA-N 1 0 346.462 2.609 40 0 EFABRO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)[C@H]3c4ccccc4OC[C@H]32)sn1 ZINC001772595953 1249168691 /nfs/dbraw/zinc/16/86/91/1249168691.db2.gz VIQJMVQDYFSUQS-WWGRRREGSA-N 1 0 329.425 2.702 40 0 EFABRO COc1ccc2[nH+]ccc(N3CCN(Cc4cc(C)no4)CC3)c2c1 ZINC000891618700 714865203 /nfs/dbraw/zinc/86/52/03/714865203.db2.gz USCZXFANPPCZQI-UHFFFAOYSA-N 1 0 338.411 2.862 40 0 EFABRO Cc1cc(NCc2ccc(S(N)(=O)=O)cc2C)nc(C2CCC2)n1 ZINC000893536389 716822493 /nfs/dbraw/zinc/82/24/93/716822493.db2.gz VCFVDXXQVTVQND-UHFFFAOYSA-N 1 0 346.456 2.620 40 0 EFABRO CCOC(=O)N1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000053094501 214163997 /nfs/dbraw/zinc/16/39/97/214163997.db2.gz FTEPEOCZRIOGLU-UHFFFAOYSA-N 1 0 328.416 2.583 40 0 EFABRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000173929590 231073804 /nfs/dbraw/zinc/07/38/04/231073804.db2.gz YIGDQVPYCDZSSH-ZDUSSCGKSA-N 1 0 333.461 2.875 40 0 EFABRO COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000055748731 214339794 /nfs/dbraw/zinc/33/97/94/214339794.db2.gz RSMYCIIWOVADRF-RWMBFGLXSA-N 1 0 349.475 2.514 40 0 EFABRO COCc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174906012 231340620 /nfs/dbraw/zinc/34/06/20/231340620.db2.gz LTPAVHHDQDSJGU-AYHJJNSGSA-N 1 0 331.460 2.648 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000097953908 219064576 /nfs/dbraw/zinc/06/45/76/219064576.db2.gz QAAXPPHCUILQLB-CWRNSKLLSA-N 1 0 330.457 2.902 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000097953795 219065311 /nfs/dbraw/zinc/06/53/11/219065311.db2.gz WMEFHDBQESZBKI-LMMKCTJWSA-N 1 0 325.412 2.596 40 0 EFABRO CCOC(=O)N1CC[NH+](CCCCCOc2ccccc2N)CC1 ZINC000004429345 210191720 /nfs/dbraw/zinc/19/17/20/210191720.db2.gz BKTOPZJKDLAVIU-UHFFFAOYSA-N 1 0 335.448 2.592 40 0 EFABRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000004279506 210159628 /nfs/dbraw/zinc/15/96/28/210159628.db2.gz XOOKMKTWIXOUPA-OCCSQVGLSA-N 1 0 328.250 2.921 40 0 EFABRO C[NH+](C)C(C)(C)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000004215639 210145215 /nfs/dbraw/zinc/14/52/15/210145215.db2.gz GUONSMXZEYTWML-UHFFFAOYSA-N 1 0 327.424 2.806 40 0 in-man EFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3ccccc3oc2=O)C1 ZINC000047416399 213848024 /nfs/dbraw/zinc/84/80/24/213848024.db2.gz MKMCLOQIGFZIBT-HUUCEWRRSA-N 1 0 342.439 2.891 40 0 EFABRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000004023018 210101429 /nfs/dbraw/zinc/10/14/29/210101429.db2.gz HEBNAYZDCNQROW-LPMFXHHGSA-N 1 0 327.380 2.645 40 0 EFABRO CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000102716828 219224176 /nfs/dbraw/zinc/22/41/76/219224176.db2.gz HILFQSIWGPBBNN-ZDUSSCGKSA-N 1 0 334.851 2.884 40 0 EFABRO O=C(Nc1nnc(CC2CCCC2)s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000102716371 219224205 /nfs/dbraw/zinc/22/42/05/219224205.db2.gz SGTZWBXHSHKWJU-AWEZNQCLSA-N 1 0 347.488 2.749 40 0 EFABRO O=C(NCC[NH2+]Cc1cnc(-c2ccccc2)s1)c1cccnc1 ZINC000066972735 215100155 /nfs/dbraw/zinc/10/01/55/215100155.db2.gz XLFPPTUJRHAYSD-UHFFFAOYSA-N 1 0 338.436 2.725 40 0 EFABRO C[NH+](C)CCNC(=O)c1ccccc1COc1ccc(F)cc1F ZINC000002788259 209913565 /nfs/dbraw/zinc/91/35/65/209913565.db2.gz ZRVDCOUVOAWQBJ-UHFFFAOYSA-N 1 0 334.366 2.835 40 0 EFABRO Cc1cc(C)n(-c2cncc(NC[C@H](c3ccco3)[NH+](C)C)n2)n1 ZINC000068658639 215324859 /nfs/dbraw/zinc/32/48/59/215324859.db2.gz JWPFODRGYUJCFP-CQSZACIVSA-N 1 0 326.404 2.587 40 0 EFABRO O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040464618 213308100 /nfs/dbraw/zinc/30/81/00/213308100.db2.gz MQRHMFSVQILKSB-KRWDZBQOSA-N 1 0 348.450 2.886 40 0 EFABRO C[NH+]1CCC2(CC1)c1cccc(F)c1N(Cc1cccnc1)C2=O ZINC000105050123 219450512 /nfs/dbraw/zinc/45/05/12/219450512.db2.gz ZTESZTKHMUJLIR-UHFFFAOYSA-N 1 0 325.387 2.731 40 0 EFABRO Cc1nnsc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584393 213216407 /nfs/dbraw/zinc/21/64/07/213216407.db2.gz QJHLJAYUYYXZQJ-UHFFFAOYSA-N 1 0 336.486 2.550 40 0 EFABRO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2ccccc2)[nH+]1 ZINC000036708088 213112617 /nfs/dbraw/zinc/11/26/17/213112617.db2.gz NEGLDPPBYPZJGX-UHFFFAOYSA-N 1 0 340.431 2.619 40 0 EFABRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCc2ccccc2)cc1OC ZINC000036612717 213102078 /nfs/dbraw/zinc/10/20/78/213102078.db2.gz FUHSGVBJLBHLLV-HNNXBMFYSA-N 1 0 343.423 2.968 40 0 EFABRO Cc1cc(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)co1 ZINC000187735330 236287176 /nfs/dbraw/zinc/28/71/76/236287176.db2.gz NJDHKHVBPNRZAD-IBGZPJMESA-N 1 0 342.439 2.763 40 0 EFABRO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000035426273 213027285 /nfs/dbraw/zinc/02/72/85/213027285.db2.gz GHULYHXGQFMGIV-HNNXBMFYSA-N 1 0 343.431 2.514 40 0 biogenic,in-vitro EFABRO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)C)n2)ccn1 ZINC000035424553 213027041 /nfs/dbraw/zinc/02/70/41/213027041.db2.gz FYMVXZAURPHIGA-HNNXBMFYSA-N 1 0 345.447 2.983 40 0 biogenic,in-vitro EFABRO O[C@H]1CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@H]12 ZINC000035360877 213023724 /nfs/dbraw/zinc/02/37/24/213023724.db2.gz UYCRVAISBCXPHX-UBHSHLNASA-N 1 0 348.834 2.910 40 0 EFABRO O[C@@H]1CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@H]12 ZINC000035360880 213023415 /nfs/dbraw/zinc/02/34/15/213023415.db2.gz UYCRVAISBCXPHX-FPMFFAJLSA-N 1 0 348.834 2.910 40 0 EFABRO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)c1 ZINC000035425139 213027697 /nfs/dbraw/zinc/02/76/97/213027697.db2.gz FTWFTDQMUYPZBR-INIZCTEOSA-N 1 0 344.415 2.846 40 0 biogenic,in-vitro EFABRO Cc1cc(C)n2nc(C(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)cc2n1 ZINC000035315310 213020720 /nfs/dbraw/zinc/02/07/20/213020720.db2.gz XCWLHIZRQUWULN-HUUCEWRRSA-N 1 0 343.475 2.729 40 0 EFABRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000072242520 216081213 /nfs/dbraw/zinc/08/12/13/216081213.db2.gz WMDNLBOMSWVREM-QGZVFWFLSA-N 1 0 340.427 2.781 40 0 EFABRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000072242519 216081503 /nfs/dbraw/zinc/08/15/03/216081503.db2.gz WMDNLBOMSWVREM-KRWDZBQOSA-N 1 0 340.427 2.781 40 0 EFABRO C[NH+](C)CC(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000072277365 216103947 /nfs/dbraw/zinc/10/39/47/216103947.db2.gz CKNHYUPHNTYULA-UHFFFAOYSA-N 1 0 338.395 2.980 40 0 EFABRO Cc1cccc(OC[C@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)c1 ZINC000000307219 209527887 /nfs/dbraw/zinc/52/78/87/209527887.db2.gz RSLLALOQYURUGS-QGZVFWFLSA-N 1 0 325.432 2.831 40 0 EFABRO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000072324528 216151003 /nfs/dbraw/zinc/15/10/03/216151003.db2.gz GHPVEBCLVHQZML-VDGAXYAQSA-N 1 0 331.504 2.952 40 0 EFABRO CN(C)C(=O)C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359608 216165533 /nfs/dbraw/zinc/16/55/33/216165533.db2.gz MSBMUYAUMNHSGU-UHFFFAOYSA-N 1 0 342.418 2.550 40 0 EFABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360059 216166296 /nfs/dbraw/zinc/16/62/96/216166296.db2.gz SCSKRRIZBGPHDC-HNNXBMFYSA-N 1 0 340.431 2.635 40 0 EFABRO O=c1n(C2CC2)nnn1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000072335779 216157764 /nfs/dbraw/zinc/15/77/64/216157764.db2.gz VBAJHDQJPIOEHT-UHFFFAOYSA-N 1 0 349.438 2.765 40 0 EFABRO O=C(C[NH+]1CCCC1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000072347583 216161249 /nfs/dbraw/zinc/16/12/49/216161249.db2.gz DDEQFKUNZNBUEI-QGZVFWFLSA-N 1 0 342.418 2.601 40 0 EFABRO c1ccc(Nc2nccnc2[C@H]2CCC[N@@H+]2C2CCOCC2)nc1 ZINC000072363639 216169791 /nfs/dbraw/zinc/16/97/91/216169791.db2.gz FRMYPSHFDLBDSV-OAHLLOKOSA-N 1 0 325.416 2.931 40 0 EFABRO Cc1cc(C(=O)N(C)C2CCCCC2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365778 216172176 /nfs/dbraw/zinc/17/21/76/216172176.db2.gz MMOZNROFAHIUEI-HNNXBMFYSA-N 1 0 330.476 2.999 40 0 EFABRO COCC[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000072376815 216178702 /nfs/dbraw/zinc/17/87/02/216178702.db2.gz PNGAKSNHOCMZSK-KRWDZBQOSA-N 1 0 326.444 2.993 40 0 EFABRO Cc1csc(Nc2cc([C@@H]3CCCC[N@@H+]3CCO)nc(C)n2)n1 ZINC000072382636 216183113 /nfs/dbraw/zinc/18/31/13/216183113.db2.gz PKZMPZQVJHTTSU-AWEZNQCLSA-N 1 0 333.461 2.813 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392937 216190703 /nfs/dbraw/zinc/19/07/03/216190703.db2.gz FYPICXCXTQULML-INIZCTEOSA-N 1 0 336.395 2.805 40 0 EFABRO Fc1ccc(-c2cc(C[NH2+]Cc3cccnc3)c3nnnn3c2)cc1 ZINC000072392351 216190933 /nfs/dbraw/zinc/19/09/33/216190933.db2.gz WWJKBVOVUJNNKV-UHFFFAOYSA-N 1 0 334.358 2.615 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393210 216192948 /nfs/dbraw/zinc/19/29/48/216192948.db2.gz HCWZKOBMWXMOKV-MRXNPFEDSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393220 216192978 /nfs/dbraw/zinc/19/29/78/216192978.db2.gz QJZONFKRTCTAPL-HNNXBMFYSA-N 1 0 347.422 2.607 40 0 EFABRO Cc1ccccc1C[N@@H+]1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000072395564 216193045 /nfs/dbraw/zinc/19/30/45/216193045.db2.gz LBTNKAGZEWMHFG-NQIIRXRSSA-N 1 0 334.419 2.812 40 0 EFABRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130438118 223152317 /nfs/dbraw/zinc/15/23/17/223152317.db2.gz CTZKCRQVCNOQCE-AEFFLSMTSA-N 1 0 336.501 2.726 40 0 EFABRO CCC(CC)[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000072659164 216289062 /nfs/dbraw/zinc/28/90/62/216289062.db2.gz HVRWALWUCNUDFX-UHFFFAOYSA-N 1 0 334.460 2.975 40 0 EFABRO O=c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccn12 ZINC000072867376 216323198 /nfs/dbraw/zinc/32/31/98/216323198.db2.gz VEOCNSWWVMSCTL-OALUTQOASA-N 1 0 349.434 2.783 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108534811 219902253 /nfs/dbraw/zinc/90/22/53/219902253.db2.gz DMIYSAKEXNHGTC-CRAIPNDOSA-N 1 0 333.501 2.970 40 0 EFABRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3cc[nH]c3)CC2)s1 ZINC000191686504 239249995 /nfs/dbraw/zinc/24/99/95/239249995.db2.gz TXVUXZVPBFMJKQ-UHFFFAOYSA-N 1 0 331.367 2.597 40 0 EFABRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191889638 239366903 /nfs/dbraw/zinc/36/69/03/239366903.db2.gz AEGSOODPJZHOGF-IAGOWNOFSA-N 1 0 326.444 2.966 40 0 EFABRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191889668 239366957 /nfs/dbraw/zinc/36/69/57/239366957.db2.gz AEGSOODPJZHOGF-IRXDYDNUSA-N 1 0 326.444 2.966 40 0 EFABRO O=C(CCc1ccsc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736672 212393683 /nfs/dbraw/zinc/39/36/83/212393683.db2.gz ZAEYNXODWIBHSP-UHFFFAOYSA-N 1 0 336.501 2.832 40 0 EFABRO COc1ccc([C@H](CNC(=O)CCc2c(C)noc2C)[NH+](C)C)cc1 ZINC000023228121 212360771 /nfs/dbraw/zinc/36/07/71/212360771.db2.gz KSHKBXKBVJMNDM-SFHVURJKSA-N 1 0 345.443 2.652 40 0 EFABRO CC[NH+](CC)CCCNC(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000023174214 212358131 /nfs/dbraw/zinc/35/81/31/212358131.db2.gz HQVNMZBFSMBBRV-UHFFFAOYSA-N 1 0 346.475 2.566 40 0 EFABRO O=S(=O)(Cc1ccccc1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127626 212352068 /nfs/dbraw/zinc/35/20/68/212352068.db2.gz GAOOAGSUMOTMKC-UHFFFAOYSA-N 1 0 336.501 2.761 40 0 EFABRO O=C(COc1ccc(F)cc1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127979 212351599 /nfs/dbraw/zinc/35/15/99/212351599.db2.gz PARHHVTXNGOAHT-UHFFFAOYSA-N 1 0 334.435 2.975 40 0 EFABRO COCC[NH+]1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000023014149 212342175 /nfs/dbraw/zinc/34/21/75/212342175.db2.gz ZDWQURNXWOSNFZ-UHFFFAOYSA-N 1 0 344.377 2.794 40 0 EFABRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(=O)[nH]c1 ZINC000022619256 212311562 /nfs/dbraw/zinc/31/15/62/212311562.db2.gz USBLOZYWKISAGL-MRXNPFEDSA-N 1 0 345.830 2.595 40 0 EFABRO COc1ccc(-c2nc3ccc(C)cn3c2CN2CC[NH2+]CC2)cc1 ZINC000022465103 212299174 /nfs/dbraw/zinc/29/91/74/212299174.db2.gz FENPOUCRWZJIDB-UHFFFAOYSA-N 1 0 336.439 2.724 40 0 EFABRO COc1ccc([N+]2=C3CCCN3[C@@](O)(c3ccc(OC)cc3)C2)cc1 ZINC000022406512 212295564 /nfs/dbraw/zinc/29/55/64/212295564.db2.gz ZODAJBZYTKCYHE-FQEVSTJZSA-N 1 0 339.415 2.574 40 0 EFABRO O[C@@H]1CCCOC12CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000257228307 240313941 /nfs/dbraw/zinc/31/39/41/240313941.db2.gz FTJAOTABDIGUPU-GOSISDBHSA-N 1 0 339.439 2.650 40 0 EFABRO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022029785 212273085 /nfs/dbraw/zinc/27/30/85/212273085.db2.gz AJSDXPFEUQMXMR-OXJNMPFZSA-N 1 0 337.467 2.857 40 0 EFABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccccc3)c(N)cc2C)CC1 ZINC000216867778 241217457 /nfs/dbraw/zinc/21/74/57/241217457.db2.gz WSJQAZGCHOXCEF-UHFFFAOYSA-N 1 0 338.455 2.971 40 0 EFABRO CC(=O)c1ccc(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC000022030010 212272634 /nfs/dbraw/zinc/27/26/34/212272634.db2.gz GUJKJEIBMNQZDX-LJQANCHMSA-N 1 0 339.439 2.720 40 0 EFABRO [NH3+]C[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662715 241337472 /nfs/dbraw/zinc/33/74/72/241337472.db2.gz NIEWYMNUGXVWDQ-OWCLPIDISA-N 1 0 339.819 2.994 40 0 EFABRO [NH3+]CCCOC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000225454428 241871455 /nfs/dbraw/zinc/87/14/55/241871455.db2.gz PIPGXMPBYNIWTA-UHFFFAOYSA-N 1 0 330.350 2.675 40 0 EFABRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302070 243014187 /nfs/dbraw/zinc/01/41/87/243014187.db2.gz YPHVWFDQBHHXSO-IAGOWNOFSA-N 1 0 340.423 2.522 40 0 EFABRO C[N@H+](C[C@@H]1CCOC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000245339121 243104687 /nfs/dbraw/zinc/10/46/87/243104687.db2.gz QOTLJDDOOGQCBJ-NHYWBVRUSA-N 1 0 326.799 2.553 40 0 EFABRO c1ccc(N2CCN(C3CC[NH+]([C@@H]4CCSC4)CC3)CC2)cc1 ZINC000252478254 243760376 /nfs/dbraw/zinc/76/03/76/243760376.db2.gz AGXHJEKWVUYJCH-LJQANCHMSA-N 1 0 331.529 2.779 40 0 EFABRO COc1ccccc1NC(=O)CN1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000252508437 243833983 /nfs/dbraw/zinc/83/39/83/243833983.db2.gz XNITWOOFVSSPQA-QGZVFWFLSA-N 1 0 347.503 2.934 40 0 EFABRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490340 243795507 /nfs/dbraw/zinc/79/55/07/243795507.db2.gz KPYJNTFBBJAAGH-HRCADAONSA-N 1 0 331.522 2.727 40 0 EFABRO c1cncc(COCC[C@@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)c1 ZINC000253588917 244028440 /nfs/dbraw/zinc/02/84/40/244028440.db2.gz YUGDPBUTDBGKKV-QGZVFWFLSA-N 1 0 346.471 2.648 40 0 EFABRO C[C@@]12C[C@H]3CN(C(=O)COc4ccccc4F)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257218172 244175696 /nfs/dbraw/zinc/17/56/96/244175696.db2.gz DCDKOODVBSDFPC-KUZCPNRJSA-N 1 0 332.419 2.726 40 0 EFABRO O=C(c1cc2ccccc2[nH]1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257215142 244164320 /nfs/dbraw/zinc/16/43/20/244164320.db2.gz COWPCRDUWYOSNB-HXUWFJFHSA-N 1 0 341.455 2.621 40 0 EFABRO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257223614 244191939 /nfs/dbraw/zinc/19/19/39/244191939.db2.gz DYCSGQMRBYVQRV-KRWDZBQOSA-N 1 0 330.457 2.820 40 0 EFABRO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000257225709 244198642 /nfs/dbraw/zinc/19/86/42/244198642.db2.gz FHKQICIWPABFSN-KRWDZBQOSA-N 1 0 326.444 2.800 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCc2ccccc2F)cc1 ZINC000257230824 244214224 /nfs/dbraw/zinc/21/42/24/244214224.db2.gz GEBZCOIHAOFOTO-IBGZPJMESA-N 1 0 342.414 2.940 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)c1 ZINC000257246813 244257312 /nfs/dbraw/zinc/25/73/12/244257312.db2.gz IVYAJHXIKBUBGE-CQSZACIVSA-N 1 0 343.402 2.966 40 0 EFABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257235924 244229689 /nfs/dbraw/zinc/22/96/89/244229689.db2.gz HACFBNAMRYWXFM-MRXNPFEDSA-N 1 0 334.427 2.950 40 0 EFABRO C[N@@H+]1CCN(Cc2c[nH]cn2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247502 /nfs/dbraw/zinc/24/75/02/244247502.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 1 0 335.455 2.564 40 0 EFABRO C[N@@H+]1CCCN(C(=O)c2ccc(Cc3ccccc3F)nc2)CC1 ZINC000257260138 244293989 /nfs/dbraw/zinc/29/39/89/244293989.db2.gz LBLKZAVBNBPHDI-UHFFFAOYSA-N 1 0 327.403 2.589 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)n1 ZINC000257247163 244261647 /nfs/dbraw/zinc/26/16/47/244261647.db2.gz IXSWPCVFSXMTLX-HKUYNNGSSA-N 1 0 330.403 2.933 40 0 EFABRO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257252502 244272699 /nfs/dbraw/zinc/27/26/99/244272699.db2.gz JVABTMGJBGGSJT-MRXNPFEDSA-N 1 0 349.438 2.558 40 0 EFABRO O=C(c1cscn1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257254023 244274867 /nfs/dbraw/zinc/27/48/67/244274867.db2.gz KBGQBYOOGMRTAS-HNNXBMFYSA-N 1 0 343.452 2.701 40 0 EFABRO CN(C)c1nc([C@]2(C)CCC[N@@H+](C3CCOCC3)C2)cn2cccc12 ZINC000257254090 244276346 /nfs/dbraw/zinc/27/63/46/244276346.db2.gz KBNRAMGKWDQJLB-HXUWFJFHSA-N 1 0 342.487 2.933 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3cccc(OC)c3)CCO2)c1 ZINC000257268167 244368003 /nfs/dbraw/zinc/36/80/03/244368003.db2.gz MKMXLSLMGFHXPE-SFHVURJKSA-N 1 0 341.411 2.654 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000257260621 244346999 /nfs/dbraw/zinc/34/69/99/244346999.db2.gz LDQQEHAKBPCCLO-ZDUSSCGKSA-N 1 0 332.835 2.754 40 0 EFABRO Cc1ccsc1C[N@H+]1CCOC[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257262553 244350834 /nfs/dbraw/zinc/35/08/34/244350834.db2.gz LLWYDCCUPAUKGJ-HNNXBMFYSA-N 1 0 346.500 2.604 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)c1 ZINC000257278343 244396367 /nfs/dbraw/zinc/39/63/67/244396367.db2.gz OBWQHQKRJWYGFX-QGZVFWFLSA-N 1 0 329.375 2.785 40 0 EFABRO CC1CCC([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000019913968 212084102 /nfs/dbraw/zinc/08/41/02/212084102.db2.gz HVWWMTMXVBFEMB-UHFFFAOYSA-N 1 0 336.501 2.713 40 0 EFABRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019750424 212062041 /nfs/dbraw/zinc/06/20/41/212062041.db2.gz PLUKBUGEFCXILB-OAHLLOKOSA-N 1 0 326.444 2.523 40 0 EFABRO Cn1nc2c(c1C(=O)N1CCC([C@@H]3CCCC[N@@H+]3C)CC1)CCCC2 ZINC000019747009 212061338 /nfs/dbraw/zinc/06/13/38/212061338.db2.gz PNPUFNPCHCSIEJ-SFHVURJKSA-N 1 0 344.503 2.635 40 0 EFABRO CC(C)Nc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1 ZINC000019717423 212056720 /nfs/dbraw/zinc/05/67/20/212056720.db2.gz VWVNJLKKOPUTCJ-UHFFFAOYSA-N 1 0 327.432 2.777 40 0 EFABRO Cn1cc(-c2ccc(C3CC[NH+](Cc4ccnn4C)CC3)nc2)cn1 ZINC000019689064 212056165 /nfs/dbraw/zinc/05/61/65/212056165.db2.gz ZAUPBGOHROAJHX-UHFFFAOYSA-N 1 0 336.443 2.595 40 0 EFABRO Cc1nc(C(F)(F)F)ccc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000019656621 212053544 /nfs/dbraw/zinc/05/35/44/212053544.db2.gz LTYVLQJDHOQFAU-UHFFFAOYSA-N 1 0 329.366 2.967 40 0 EFABRO Cc1nc2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)ccc2n1C ZINC000019656362 212052930 /nfs/dbraw/zinc/05/29/30/212052930.db2.gz PNPKKFCKDRORMF-UHFFFAOYSA-N 1 0 328.460 2.876 40 0 EFABRO CN(CC[NH+]1CCCCC1)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000019656513 212052713 /nfs/dbraw/zinc/05/27/13/212052713.db2.gz MWVXYBUXVSTSCV-UHFFFAOYSA-N 1 0 340.427 2.527 40 0 EFABRO Cn1c(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)nc2ccccc21 ZINC000019656583 212052603 /nfs/dbraw/zinc/05/26/03/212052603.db2.gz TWFOFKWXUKQRCD-UHFFFAOYSA-N 1 0 342.487 2.887 40 0 EFABRO COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)o1 ZINC000019594486 212050754 /nfs/dbraw/zinc/05/07/54/212050754.db2.gz RYBAJYSSPMHRLT-HXUWFJFHSA-N 1 0 340.423 2.747 40 0 EFABRO COCC(=O)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019593011 212050795 /nfs/dbraw/zinc/05/07/95/212050795.db2.gz RLHQTIITDKMFJG-UHFFFAOYSA-N 1 0 348.462 2.865 40 0 EFABRO COc1ccc(OC)c(CN(CC[NH+](C)C)Cc2ccncc2)c1 ZINC000019582702 212046703 /nfs/dbraw/zinc/04/67/03/212046703.db2.gz CZVYQUAPOXGAHE-UHFFFAOYSA-N 1 0 329.444 2.663 40 0 EFABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C)C1 ZINC000019588500 212048994 /nfs/dbraw/zinc/04/89/94/212048994.db2.gz WEJXMVOAVXNHRI-LJQANCHMSA-N 1 0 327.428 2.684 40 0 EFABRO COc1ccccc1CN1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019570643 212044375 /nfs/dbraw/zinc/04/43/75/212044375.db2.gz VRTPOAGPMHAVGC-HNNXBMFYSA-N 1 0 338.455 2.511 40 0 EFABRO CCOc1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533370 212039429 /nfs/dbraw/zinc/03/94/29/212039429.db2.gz YNJACQZUAQAWPF-LJQANCHMSA-N 1 0 338.455 2.858 40 0 EFABRO CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000019529374 212039061 /nfs/dbraw/zinc/03/90/61/212039061.db2.gz TWRAKZUKYZQQCU-OALUTQOASA-N 1 0 336.435 2.754 40 0 EFABRO CCc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3ccccc3OC)C2)n1 ZINC000019522517 212036183 /nfs/dbraw/zinc/03/61/83/212036183.db2.gz KGMHPOAKDQRLFT-HNNXBMFYSA-N 1 0 327.428 2.721 40 0 EFABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccn1-c1ccccc1F ZINC000019368481 212023011 /nfs/dbraw/zinc/02/30/11/212023011.db2.gz CWJOIYNGCMPPAY-IRXDYDNUSA-N 1 0 343.446 2.647 40 0 EFABRO c1ccc(CC[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019371319 212022953 /nfs/dbraw/zinc/02/29/53/212022953.db2.gz BFXMYCRQNVCWFB-GOSISDBHSA-N 1 0 348.454 2.690 40 0 EFABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019345787 212019582 /nfs/dbraw/zinc/01/95/82/212019582.db2.gz JBVCATTYCGLWHJ-NJAFHUGGSA-N 1 0 326.440 2.745 40 0 EFABRO [NH3+]C1CCN(C(=O)Cn2ccc3ccnc(-c4cccs4)c32)CC1 ZINC000019344091 212018692 /nfs/dbraw/zinc/01/86/92/212018692.db2.gz DTFSXWYXHANKQN-UHFFFAOYSA-N 1 0 340.452 2.715 40 0 EFABRO O=c1cc(-c2cccnc2)nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]1 ZINC000019340264 212018556 /nfs/dbraw/zinc/01/85/56/212018556.db2.gz PVYXRRYJPXUYOO-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO Fc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019293898 212012615 /nfs/dbraw/zinc/01/26/15/212012615.db2.gz WZYFROYCRYCHLP-HNNXBMFYSA-N 1 0 326.419 2.641 40 0 EFABRO O=C(CC1CCCCC1)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292299 212011356 /nfs/dbraw/zinc/01/13/56/212011356.db2.gz GBMCGKANAOYFAF-MRXNPFEDSA-N 1 0 342.487 2.799 40 0 EFABRO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019286353 212010725 /nfs/dbraw/zinc/01/07/25/212010725.db2.gz SUNSSIBFRXCURX-CABCVRRESA-N 1 0 329.831 2.864 40 0 EFABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4cccc(C)n4)C3)cc(N)n2n1 ZINC000019236225 212006871 /nfs/dbraw/zinc/00/68/71/212006871.db2.gz FTPRYAHYQOTPDT-HNNXBMFYSA-N 1 0 336.443 2.703 40 0 EFABRO CCS[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000078289477 217038139 /nfs/dbraw/zinc/03/81/39/217038139.db2.gz SPLRMTLHHABSJG-HOTGVXAUSA-N 1 0 325.522 2.977 40 0 EFABRO CC(=O)Nc1ccc(CC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000078411727 217049951 /nfs/dbraw/zinc/04/99/51/217049951.db2.gz FUMOIWMBSMAJMR-UHFFFAOYSA-N 1 0 326.396 2.749 40 0 EFABRO CC(=O)Nc1ccc(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000078411712 217050211 /nfs/dbraw/zinc/05/02/11/217050211.db2.gz FFGSZCTZWVVGNJ-UHFFFAOYSA-N 1 0 335.411 2.762 40 0 EFABRO FC(F)Oc1cccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000078553465 217075207 /nfs/dbraw/zinc/07/52/07/217075207.db2.gz QCLCZSGKZZOTIY-UHFFFAOYSA-N 1 0 334.370 2.968 40 0 EFABRO Cc1ccccc1CC(C)(C)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000078553808 217075038 /nfs/dbraw/zinc/07/50/38/217075038.db2.gz ARVWFZNYLYFQNX-UHFFFAOYSA-N 1 0 340.471 2.733 40 0 EFABRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000078602400 217083775 /nfs/dbraw/zinc/08/37/75/217083775.db2.gz XVCOASSHSURCKP-UHFFFAOYSA-N 1 0 339.844 2.912 40 0 EFABRO O=C(c1ncoc1-c1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000078661561 217096478 /nfs/dbraw/zinc/09/64/78/217096478.db2.gz ZMIXJFQJYPJIPN-UHFFFAOYSA-N 1 0 340.408 2.761 40 0 EFABRO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3COCCO3)n2)c1 ZINC000078774536 217118646 /nfs/dbraw/zinc/11/86/46/217118646.db2.gz UVFYCABLBOBFBV-INIZCTEOSA-N 1 0 329.400 2.810 40 0 EFABRO COC(=O)NCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000078774532 217118923 /nfs/dbraw/zinc/11/89/23/217118923.db2.gz CWHXWIQKISHZDC-UHFFFAOYSA-N 1 0 344.415 2.621 40 0 EFABRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@@H]1CCOC1 ZINC000079036274 217178928 /nfs/dbraw/zinc/17/89/28/217178928.db2.gz VEYFJNBXDQAOAR-KRWDZBQOSA-N 1 0 345.487 2.898 40 0 EFABRO CS[C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096309 217191329 /nfs/dbraw/zinc/19/13/29/217191329.db2.gz NYXHOAVFJGWXBX-GJZGRUSLSA-N 1 0 336.501 2.754 40 0 EFABRO CS[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096300 217191849 /nfs/dbraw/zinc/19/18/49/217191849.db2.gz NYXHOAVFJGWXBX-LSDHHAIUSA-N 1 0 336.501 2.754 40 0 EFABRO COCC[N@@H+]1CCCN(C(=O)c2oc3c(cccc3OC)c2C)CC1 ZINC000079338359 217211487 /nfs/dbraw/zinc/21/14/87/217211487.db2.gz HWCHUVMWTHQONN-UHFFFAOYSA-N 1 0 346.427 2.544 40 0 EFABRO COC(=O)CC[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000079354512 217213345 /nfs/dbraw/zinc/21/33/45/217213345.db2.gz MLGSLMOTCQMZEG-QGZVFWFLSA-N 1 0 328.412 2.779 40 0 EFABRO CC(C)[N@H+](CCO)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391723 217219440 /nfs/dbraw/zinc/21/94/40/217219440.db2.gz JFFVARNQYMXMRF-SFHVURJKSA-N 1 0 334.460 2.738 40 0 EFABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079411199 217221770 /nfs/dbraw/zinc/22/17/70/217221770.db2.gz QAYHTOMTVWMTRT-ZWKOTPCHSA-N 1 0 334.460 2.927 40 0 EFABRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 ZINC000079361183 217216454 /nfs/dbraw/zinc/21/64/54/217216454.db2.gz MRZNTBPLLSWREB-APWZRJJASA-N 1 0 347.503 2.619 40 0 EFABRO O=C(OCc1ccccc1)N(C1CC1)C1CCC([NH2+]CCO)CC1 ZINC000079411312 217221895 /nfs/dbraw/zinc/22/18/95/217221895.db2.gz OZMSBCMFQFZVJC-UHFFFAOYSA-N 1 0 332.444 2.681 40 0 EFABRO C[C@@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000079778789 217254102 /nfs/dbraw/zinc/25/41/02/217254102.db2.gz VAFDTSLKQUGORT-GDBMZVCRSA-N 1 0 327.432 2.595 40 0 EFABRO C[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000080230954 217290579 /nfs/dbraw/zinc/29/05/79/217290579.db2.gz QOSYQRQEPYPZQG-ZFWWWQNUSA-N 1 0 346.862 2.899 40 0 EFABRO CC(C)[NH+]1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000012441478 211382999 /nfs/dbraw/zinc/38/29/99/211382999.db2.gz VOOHMIPXSGUPMM-UHFFFAOYSA-N 1 0 344.908 2.880 40 0 EFABRO CN(CC[NH+](C)C)C(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000012325486 211349668 /nfs/dbraw/zinc/34/96/68/211349668.db2.gz YUZOPTNPHQLRPP-UHFFFAOYSA-N 1 0 336.436 2.588 40 0 EFABRO COc1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000012292503 211335247 /nfs/dbraw/zinc/33/52/47/211335247.db2.gz IOERBOTXHXPRJI-IBGZPJMESA-N 1 0 345.414 2.851 40 0 EFABRO O=C(NCCC[NH+]1Cc2ccccc2C1)[C@@H]1OCOc2ccccc21 ZINC000012193325 211316149 /nfs/dbraw/zinc/31/61/49/211316149.db2.gz MPEXKXBNZDVSKX-LJQANCHMSA-N 1 0 338.407 2.616 40 0 EFABRO O=C(NCCC[NH+]1Cc2ccccc2C1)[C@H]1OCOc2ccccc21 ZINC000012193334 211315849 /nfs/dbraw/zinc/31/58/49/211315849.db2.gz MPEXKXBNZDVSKX-IBGZPJMESA-N 1 0 338.407 2.616 40 0 EFABRO COc1ccc(COC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000012172182 211311260 /nfs/dbraw/zinc/31/12/60/211311260.db2.gz PDGLJUZHLDWIOM-BFYDXBDKSA-N 1 0 337.460 2.559 40 0 EFABRO CC(C)NC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 ZINC000012220215 211321748 /nfs/dbraw/zinc/32/17/48/211321748.db2.gz RQIPOOFYQMGLBZ-LPHOPBHVSA-N 1 0 347.434 2.603 40 0 EFABRO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113980 211293422 /nfs/dbraw/zinc/29/34/22/211293422.db2.gz ZYDQVSHHKIXKGI-OAHLLOKOSA-N 1 0 344.455 2.996 40 0 EFABRO C[C@H]1C[N@@H+](C2CCN(c3cncc(Br)c3)CC2)CCO1 ZINC000091453646 218008903 /nfs/dbraw/zinc/00/89/03/218008903.db2.gz SHVZQTDDEYRXEJ-LBPRGKRZSA-N 1 0 340.265 2.534 40 0 EFABRO CN(C(=O)Cc1cccc(Br)c1)C1CCC([NH3+])CC1 ZINC000091844919 218075233 /nfs/dbraw/zinc/07/52/33/218075233.db2.gz SQPZPFLJCUSENP-UHFFFAOYSA-N 1 0 325.250 2.720 40 0 EFABRO COc1ccc(Cl)cc1NC(=S)NC[C@@H]1CCC[N@H+](C)C1 ZINC000009876408 211129602 /nfs/dbraw/zinc/12/96/02/211129602.db2.gz YLCWWHNOWONVBP-NSHDSACASA-N 1 0 327.881 2.977 40 0 EFABRO CC[N@H+](CCNC(=O)c1sccc1NC(=O)c1ccoc1)C1CC1 ZINC000095350995 218284933 /nfs/dbraw/zinc/28/49/33/218284933.db2.gz JADBMWZMTJIQDZ-UHFFFAOYSA-N 1 0 347.440 2.808 40 0 EFABRO O=C1c2cccn2CC[C@@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861926 211011930 /nfs/dbraw/zinc/01/19/30/211011930.db2.gz CEIQCDHCBWDJOZ-UYAOXDASSA-N 1 0 333.411 2.760 40 0 EFABRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1csc(C2CC2)n1 ZINC000095405331 218341071 /nfs/dbraw/zinc/34/10/71/218341071.db2.gz XVFZDNCMTWDMQB-YUTCNCBUSA-N 1 0 334.489 2.960 40 0 EFABRO Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)no1 ZINC000095418298 218357946 /nfs/dbraw/zinc/35/79/46/218357946.db2.gz NAZLVLZCJLFUDR-LRDDRELGSA-N 1 0 343.431 2.849 40 0 EFABRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000095419317 218359365 /nfs/dbraw/zinc/35/93/65/218359365.db2.gz QRQVABPAIBBFID-INIZCTEOSA-N 1 0 328.460 2.634 40 0 EFABRO O=C(Oc1ccccc1)N1CCN(Cc2cnc3ccccn23)CC1 ZINC000095413134 218350739 /nfs/dbraw/zinc/35/07/39/218350739.db2.gz DXPYTXPZEUOVKU-UHFFFAOYSA-N 1 0 336.395 2.651 40 0 EFABRO Cc1cc([C@](C)(O)C[NH2+][C@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423154 218364961 /nfs/dbraw/zinc/36/49/61/218364961.db2.gz AOHFCWQZFRMTTR-AUUYWEPGSA-N 1 0 336.476 2.875 40 0 EFABRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000095422518 218365113 /nfs/dbraw/zinc/36/51/13/218365113.db2.gz UHWLZPFAXRIWMN-TZMCWYRMSA-N 1 0 343.393 2.741 40 0 EFABRO Cc1cc([C@@](C)(O)C[NH2+][C@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423155 218365395 /nfs/dbraw/zinc/36/53/95/218365395.db2.gz AOHFCWQZFRMTTR-KUHUBIRLSA-N 1 0 336.476 2.875 40 0 EFABRO CS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000095425770 218367782 /nfs/dbraw/zinc/36/77/82/218367782.db2.gz TUSFDDVXRJDFPT-UHFFFAOYSA-N 1 0 340.670 2.627 40 0 EFABRO O=C(NCc1c(F)c(F)cc(F)c1F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000095426572 218368330 /nfs/dbraw/zinc/36/83/30/218368330.db2.gz IITQLAKGIDGAFS-CQSZACIVSA-N 1 0 338.304 2.574 40 0 EFABRO COc1cc(CNC(=O)[C@@H]2CCCC[NH2+]2)ccc1OC1CCCC1 ZINC000095426450 218368677 /nfs/dbraw/zinc/36/86/77/218368677.db2.gz OVHPJUFWOLHVKP-INIZCTEOSA-N 1 0 332.444 2.775 40 0 EFABRO Cc1ncsc1CNc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000095428976 218371833 /nfs/dbraw/zinc/37/18/33/218371833.db2.gz HXVCDZANAIIHPC-OAHLLOKOSA-N 1 0 344.484 2.761 40 0 EFABRO Cc1nc(C)c(CNc2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000095428971 218372241 /nfs/dbraw/zinc/37/22/41/218372241.db2.gz HIOOYKBSURIPHV-MRXNPFEDSA-N 1 0 344.484 2.822 40 0 EFABRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000095432454 218375130 /nfs/dbraw/zinc/37/51/30/218375130.db2.gz QRUAEJIJZNADSQ-INIZCTEOSA-N 1 0 330.407 2.897 40 0 EFABRO COc1ccc2cccc(CC(=O)N(C)C[C@H]3CC[N@H+](C)C3)c2c1 ZINC000095435958 218378200 /nfs/dbraw/zinc/37/82/00/218378200.db2.gz XGWFKZRNVHNMPY-HNNXBMFYSA-N 1 0 326.440 2.801 40 0 EFABRO Cc1nc(-c2cccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)c2)no1 ZINC000095439087 218383171 /nfs/dbraw/zinc/38/31/71/218383171.db2.gz DYBMIZUOHXIGGL-INIZCTEOSA-N 1 0 331.416 2.517 40 0 EFABRO Cc1nc(-c2cccc(OC[C@H](O)C[NH+]3CCC(C)CC3)c2)no1 ZINC000095439086 218383347 /nfs/dbraw/zinc/38/33/47/218383347.db2.gz DYBMIZUOHXIGGL-MRXNPFEDSA-N 1 0 331.416 2.517 40 0 EFABRO COc1ccc(CNC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000007570375 210814946 /nfs/dbraw/zinc/81/49/46/210814946.db2.gz NODUMCKIESNNHQ-UHFFFAOYSA-N 1 0 335.517 2.969 40 0 EFABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccnnc1)CC2 ZINC000096051588 218541953 /nfs/dbraw/zinc/54/19/53/218541953.db2.gz NGUYORZHAYISQE-QGZVFWFLSA-N 1 0 340.427 2.586 40 0 EFABRO O=C(NCC1CC1)[C@H]1CCC2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096061160 218554754 /nfs/dbraw/zinc/55/47/54/218554754.db2.gz QXVNFUMUBPUUSF-MRXNPFEDSA-N 1 0 334.485 2.788 40 0 EFABRO COC[C@H]1COCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC000096106329 218599185 /nfs/dbraw/zinc/59/91/85/218599185.db2.gz ZZCFJRYYQZMROD-IBGZPJMESA-N 1 0 333.472 2.968 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4CCCO4)C3)CC2)cc1 ZINC000096157634 218632158 /nfs/dbraw/zinc/63/21/58/218632158.db2.gz POVQPCQGFUBOLH-IBGZPJMESA-N 1 0 342.483 2.989 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096161699 218637661 /nfs/dbraw/zinc/63/76/61/218637661.db2.gz YGHBHQWYFCOZSY-HDICACEKSA-N 1 0 339.414 2.733 40 0 EFABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(OC)c4)C[C@@H]32)C1=O ZINC000096261442 218731075 /nfs/dbraw/zinc/73/10/75/218731075.db2.gz DBKCVSBTAZZMGK-IMFGXOCKSA-N 1 0 341.455 2.556 40 0 EFABRO Brc1cccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)c1 ZINC000217557092 532967105 /nfs/dbraw/zinc/96/71/05/532967105.db2.gz TXRMRRSILVNFBG-CYBMUJFWSA-N 1 0 344.216 2.978 40 0 EFABRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000096435176 218813613 /nfs/dbraw/zinc/81/36/13/218813613.db2.gz DWKRZNHLVWBGMK-HNNXBMFYSA-N 1 0 327.432 2.678 40 0 EFABRO CCS[C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000096452314 218835996 /nfs/dbraw/zinc/83/59/96/218835996.db2.gz GBQFUICDPAJRPJ-GDBMZVCRSA-N 1 0 325.522 2.977 40 0 EFABRO O=C(NCCC[NH2+][C@H]1CCSC1)c1ccc(Br)cc1 ZINC000096476934 218854074 /nfs/dbraw/zinc/85/40/74/218854074.db2.gz RFUCGNZHOXBKPN-ZDUSSCGKSA-N 1 0 343.290 2.664 40 0 EFABRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000096483698 218859284 /nfs/dbraw/zinc/85/92/84/218859284.db2.gz XKMFEKJBFWSKIX-LSDHHAIUSA-N 1 0 325.416 2.540 40 0 EFABRO NC(=O)N1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000096483931 218860134 /nfs/dbraw/zinc/86/01/34/218860134.db2.gz PTMOBHGHYWAFBZ-UHFFFAOYSA-N 1 0 335.757 2.992 40 0 EFABRO COc1cc(/C=C\c2cc(C(N)=O)c3ccccc3[n+]2C)ccc1O ZINC000004900198 210316316 /nfs/dbraw/zinc/31/63/16/210316316.db2.gz VIXQOJJAMXIXBH-UHFFFAOYSA-O 1 0 335.383 2.648 40 0 EFABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2cccc(O)c2)CC1 ZINC000097236553 219002306 /nfs/dbraw/zinc/00/23/06/219002306.db2.gz RCEAZAPVQRYRCJ-UHFFFAOYSA-N 1 0 328.412 2.651 40 0 EFABRO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866855 210307340 /nfs/dbraw/zinc/30/73/40/210307340.db2.gz BADSCWFHJCUJTF-HOCLYGCPSA-N 1 0 349.814 2.509 40 0 EFABRO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866862 210306651 /nfs/dbraw/zinc/30/66/51/210306651.db2.gz BADSCWFHJCUJTF-GDBMZVCRSA-N 1 0 349.814 2.509 40 0 EFABRO O[C@@H]1C[C@H]2CN(CCc3ccccc3)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000072325166 285335230 /nfs/dbraw/zinc/33/52/30/285335230.db2.gz GAVRZYAYVCPRFU-BHIFYINESA-N 1 0 336.479 2.591 40 0 EFABRO O[C@@H]1C[C@H]2C[N@H+](CC3CCCCC3)[C@H](Cc3ccccc3)CN2C1 ZINC000019372758 285335518 /nfs/dbraw/zinc/33/55/18/285335518.db2.gz NIQMSWKKDAJQAE-QHAWAJNXSA-N 1 0 328.500 2.929 40 0 EFABRO CCc1nnc2ccc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nn21 ZINC000095408828 257834662 /nfs/dbraw/zinc/83/46/62/257834662.db2.gz NNTBNGQUOVPDSS-MRXNPFEDSA-N 1 0 342.491 2.779 40 0 EFABRO C[C@H](NC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000095404578 257834702 /nfs/dbraw/zinc/83/47/02/257834702.db2.gz IAOOVWUVZNIAMS-CSLYMUCUSA-N 1 0 347.507 2.823 40 0 EFABRO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032893 258002484 /nfs/dbraw/zinc/00/24/84/258002484.db2.gz UAFWRUVIBPKRQZ-APWZRJJASA-N 1 0 340.471 2.828 40 0 EFABRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3c(Cl)cnn3C)C2)c1 ZINC000131082931 533580855 /nfs/dbraw/zinc/58/08/55/533580855.db2.gz YUPMCIMAWJMVGG-ZDUSSCGKSA-N 1 0 334.851 2.698 40 0 EFABRO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000036741327 132392633 /nfs/dbraw/zinc/39/26/33/132392633.db2.gz KCSIESCXBHNAQW-LJQANCHMSA-N 1 0 336.439 2.727 40 0 EFABRO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000036741328 132393397 /nfs/dbraw/zinc/39/33/97/132393397.db2.gz KCSIESCXBHNAQW-IBGZPJMESA-N 1 0 336.439 2.727 40 0 EFABRO Cc1ccc(N(C)[C@@H]2CC[C@@H]3C[N@H+](Cc4nccs4)C[C@H]23)nn1 ZINC000257254649 292125892 /nfs/dbraw/zinc/12/58/92/292125892.db2.gz KECJAYIHKJBCRZ-QLFBSQMISA-N 1 0 329.473 2.588 40 0 EFABRO C[C@@H](c1ccccn1)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000253392737 287153024 /nfs/dbraw/zinc/15/30/24/287153024.db2.gz UZCQCFUJKQZDJS-HKUYNNGSSA-N 1 0 333.476 2.694 40 0 EFABRO O=C(c1cc(C2CC2)on1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000079669228 304482171 /nfs/dbraw/zinc/48/21/71/304482171.db2.gz DFUCALXDJVOTLY-HNNXBMFYSA-N 1 0 349.500 2.986 40 0 EFABRO C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC000171301792 227002800 /nfs/dbraw/zinc/00/28/00/227002800.db2.gz VXYDMKBZPKRSCB-KRWDZBQOSA-N 1 0 345.487 2.514 40 0 EFABRO C[NH+]1CCC(NC(=O)NCCc2ccccc2OC(F)(F)F)CC1 ZINC000123052340 222207705 /nfs/dbraw/zinc/20/77/05/222207705.db2.gz NSMZRNZBZIJULV-UHFFFAOYSA-N 1 0 345.365 2.521 40 0 EFABRO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000097230743 272998799 /nfs/dbraw/zinc/99/87/99/272998799.db2.gz UQHTZLCAWPDXFW-CQSZACIVSA-N 1 0 331.865 2.584 40 0 EFABRO C[C@@H]([NH2+]CCOc1ccccc1Cl)C1CCS(=O)(=O)CC1 ZINC000275268185 266776109 /nfs/dbraw/zinc/77/61/09/266776109.db2.gz BLGVIRKAFAOPLO-GFCCVEGCSA-N 1 0 331.865 2.522 40 0 EFABRO COc1cccc(Cl)c1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000276753621 267043351 /nfs/dbraw/zinc/04/33/51/267043351.db2.gz IBAJMEGQFMPFLB-LLVKDONJSA-N 1 0 331.865 2.652 40 0 EFABRO COc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)o2)cc1 ZINC000049170129 274104185 /nfs/dbraw/zinc/10/41/85/274104185.db2.gz GOSUCVWKGKQRLQ-HNNXBMFYSA-N 1 0 342.443 2.629 40 0 biogenic,in-vitro EFABRO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CC[NH2+]CC3)n2)cc1 ZINC000067898558 274880546 /nfs/dbraw/zinc/88/05/46/274880546.db2.gz KNHQLPXTXURQMC-KRWDZBQOSA-N 1 0 346.862 2.855 40 0 biogenic,in-vitro EFABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096049334 275014277 /nfs/dbraw/zinc/01/42/77/275014277.db2.gz OICKMUZGQDVIPP-UHFFFAOYSA-N 1 0 325.412 2.945 40 0 EFABRO O=C1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054636 275030958 /nfs/dbraw/zinc/03/09/58/275030958.db2.gz VAHZHPIQHXPKQI-HKUYNNGSSA-N 1 0 339.414 2.701 40 0 EFABRO O[C@@H](C[NH+]1CCCCC1)c1ccc(I)cc1 ZINC000001667004 275050892 /nfs/dbraw/zinc/05/08/92/275050892.db2.gz AUMJBIPLLCCDSA-ZDUSSCGKSA-N 1 0 331.197 2.811 40 0 EFABRO COC(=O)C1CCC([NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000192445636 277052227 /nfs/dbraw/zinc/05/22/27/277052227.db2.gz JNLYACQEEUKCGO-ARAOSMHQSA-N 1 0 330.428 2.502 40 0 EFABRO COc1cc(C[C@@H]2[NH2+]CCc3cc(O)ccc32)cc(OC)c1OC ZINC000031598047 277820598 /nfs/dbraw/zinc/82/05/98/277820598.db2.gz BTVXBTHFCHQBCB-INIZCTEOSA-N 1 0 329.396 2.848 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 ZINC000096242703 279262867 /nfs/dbraw/zinc/26/28/67/279262867.db2.gz OXJWOULPFWAEFB-FUHWJXTLSA-N 1 0 344.455 2.660 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)[nH+]1 ZINC000257226727 280539361 /nfs/dbraw/zinc/53/93/61/280539361.db2.gz FLWDPDHWNJNTBD-IBGZPJMESA-N 1 0 337.423 2.675 40 0 EFABRO CC[C@]1(C)CN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCO1 ZINC000190822402 281319313 /nfs/dbraw/zinc/31/93/13/281319313.db2.gz GRASBDFWZKUIFY-GPMSIDNRSA-N 1 0 337.508 2.850 40 0 EFABRO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000252479509 289102571 /nfs/dbraw/zinc/10/25/71/289102571.db2.gz BGPLEPZADFSEDY-OFLPRAFFSA-N 1 0 337.508 2.755 40 0 EFABRO CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222728035 289860704 /nfs/dbraw/zinc/86/07/04/289860704.db2.gz FFZLJAYGOGLDAP-SJORKVTESA-N 1 0 335.436 2.870 40 0 EFABRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000096478541 302744052 /nfs/dbraw/zinc/74/40/52/302744052.db2.gz SGJIPZHUAOZXMO-QWHCGFSZSA-N 1 0 349.500 2.722 40 0 EFABRO Cc1nn(C[C@@H](C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)c1C ZINC000019556872 302806069 /nfs/dbraw/zinc/80/60/69/302806069.db2.gz GYBBRLXAZXFZSV-HUUCEWRRSA-N 1 0 334.508 2.825 40 0 EFABRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(c2ccsc2)CC1 ZINC000333229472 311586154 /nfs/dbraw/zinc/58/61/54/311586154.db2.gz BQDJEXZOWJSLGU-QGZVFWFLSA-N 1 0 344.484 2.889 40 0 EFABRO Cc1cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc(C)c1F ZINC000333339354 311601352 /nfs/dbraw/zinc/60/13/52/311601352.db2.gz XRTAPNPVEKTPHF-IAGOWNOFSA-N 1 0 334.435 2.801 40 0 EFABRO O=C(c1coc2ccccc12)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333625026 311637971 /nfs/dbraw/zinc/63/79/71/311637971.db2.gz UWYUHLKERFDKPS-UHFFFAOYSA-N 1 0 336.395 2.710 40 0 EFABRO C[C@H](CCn1cccn1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000097234778 323213775 /nfs/dbraw/zinc/21/37/75/323213775.db2.gz RAFPCBNFMLOCQD-MRXNPFEDSA-N 1 0 347.507 2.758 40 0 EFABRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230730 323214001 /nfs/dbraw/zinc/21/40/01/323214001.db2.gz XUJUSWYKPOFPKS-ZBFHGGJFSA-N 1 0 342.480 2.516 40 0 EFABRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000122009222 323216211 /nfs/dbraw/zinc/21/62/11/323216211.db2.gz LHROOZIYABIULX-OLZOCXBDSA-N 1 0 340.349 2.574 40 0 EFABRO CCN1CC[C@@H]([NH2+]C2CCN(C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123696707 323216463 /nfs/dbraw/zinc/21/64/63/323216463.db2.gz VGCPTLVXNDXEMQ-AEFFLSMTSA-N 1 0 341.421 2.923 40 0 EFABRO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1ccc(Cl)cc1 ZINC000130197433 323218280 /nfs/dbraw/zinc/21/82/80/323218280.db2.gz MTUWOOPNVUNWTI-ZIAGYGMSSA-N 1 0 339.867 2.700 40 0 EFABRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC000132771498 323219273 /nfs/dbraw/zinc/21/92/73/323219273.db2.gz RZAKVCRPLGFNOV-UHFFFAOYSA-N 1 0 332.444 2.730 40 0 EFABRO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cs1 ZINC000133470720 323219528 /nfs/dbraw/zinc/21/95/28/323219528.db2.gz XOZVDVREVKNUHQ-JKSUJKDBSA-N 1 0 329.469 2.858 40 0 EFABRO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154462399 323220470 /nfs/dbraw/zinc/22/04/70/323220470.db2.gz CDLBGYJEQKPGSP-NVXWUHKLSA-N 1 0 338.542 2.923 40 0 EFABRO Cc1cc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n(C)n1 ZINC000163473312 323222851 /nfs/dbraw/zinc/22/28/51/323222851.db2.gz RAXAEWBKAWZNIO-IBGZPJMESA-N 1 0 326.444 2.513 40 0 EFABRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2c3ccccc3-c3ccccc32)O1 ZINC000183925309 323351471 /nfs/dbraw/zinc/35/14/71/323351471.db2.gz KNURNTONXDISPG-IFXJQAMLSA-N 1 0 336.435 2.982 40 0 EFABRO CC1(C(=O)N[C@H]2CC[C@@H](CO)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184879297 323377474 /nfs/dbraw/zinc/37/74/74/323377474.db2.gz MXNOKBNKPXOPFR-WGSAOQKQSA-N 1 0 344.499 2.956 40 0 EFABRO C[C@H](C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975318 323429067 /nfs/dbraw/zinc/42/90/67/323429067.db2.gz ICYOFGPLAUHLOG-WBMJQRKESA-N 1 0 332.835 2.572 40 0 EFABRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1Br ZINC000090189230 472607969 /nfs/dbraw/zinc/60/79/69/472607969.db2.gz UGOPMYXSMUMRGC-SECBINFHSA-N 1 0 338.242 2.501 40 0 EFABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(I)cc2)[nH]1 ZINC000095534754 473223245 /nfs/dbraw/zinc/22/32/45/473223245.db2.gz ZPVAUYLSJXSMMT-JTQLQIEISA-N 1 0 342.184 2.732 40 0 EFABRO CC[C@@H]1[N@H+](Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC000096038510 473258444 /nfs/dbraw/zinc/25/84/44/473258444.db2.gz YBZGDANMNKEBFT-HKUYNNGSSA-N 1 0 330.476 2.566 40 0 EFABRO O=C(NC1CCCC1)[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038882 473259074 /nfs/dbraw/zinc/25/90/74/473259074.db2.gz ILVCACFSCJQBHM-GVDBMIGSSA-N 1 0 334.485 2.644 40 0 EFABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096037057 473259139 /nfs/dbraw/zinc/25/91/39/473259139.db2.gz AQONSXPTQLQJMM-UHFFFAOYSA-N 1 0 328.460 2.920 40 0 EFABRO c1ccc(CC[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041655 473261976 /nfs/dbraw/zinc/26/19/76/473261976.db2.gz ORUDYZNAEKIQAJ-PWRODBHTSA-N 1 0 345.483 2.904 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)NCC3CC3)C[C@H]3OCC[C@H]32)cc1 ZINC000096041206 473262288 /nfs/dbraw/zinc/26/22/88/473262288.db2.gz FMLBVXOTFPZJFV-IPMKNSEASA-N 1 0 328.456 2.501 40 0 EFABRO COC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044689 473264501 /nfs/dbraw/zinc/26/45/01/473264501.db2.gz UUHCTWIMIPMDRW-CQSZACIVSA-N 1 0 335.835 2.698 40 0 EFABRO O=C(NCC1CC1)[C@H]1CO[C@H]2CC[N@@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000096042636 473265842 /nfs/dbraw/zinc/26/58/42/473265842.db2.gz GXANXCGZZQKUOW-LMMKCTJWSA-N 1 0 346.446 2.579 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042525 473265929 /nfs/dbraw/zinc/26/59/29/473265929.db2.gz JLXPRXSTWFZVNR-NUJGCVRESA-N 1 0 345.468 2.795 40 0 EFABRO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[N@H+](CC1CCCC1)C2 ZINC000096044999 473266926 /nfs/dbraw/zinc/26/69/26/473266926.db2.gz RXURDYWOBFJINM-GOSISDBHSA-N 1 0 347.503 2.953 40 0 EFABRO Cn1cc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)cn1 ZINC000096047851 473269690 /nfs/dbraw/zinc/26/96/90/473269690.db2.gz CTHFLGWPHQYIPB-LJQANCHMSA-N 1 0 341.455 2.760 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096047051 473269957 /nfs/dbraw/zinc/26/99/57/473269957.db2.gz SUZAUJYHXFGXDB-HXUWFJFHSA-N 1 0 336.439 2.605 40 0 EFABRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096047409 473269978 /nfs/dbraw/zinc/26/99/78/473269978.db2.gz YVUFSBUBWBJENE-OAHLLOKOSA-N 1 0 328.503 2.528 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)o1 ZINC000096046672 473269995 /nfs/dbraw/zinc/26/99/95/473269995.db2.gz AYTUNTQXZIUGBY-UHFFFAOYSA-N 1 0 340.427 2.506 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)o1 ZINC000096048172 473270954 /nfs/dbraw/zinc/27/09/54/473270954.db2.gz JVDSJSRNWQILQD-KRWDZBQOSA-N 1 0 346.471 2.972 40 0 EFABRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000096048598 473271339 /nfs/dbraw/zinc/27/13/39/473271339.db2.gz CCTBFLIAOOSLLU-LPHOPBHVSA-N 1 0 342.443 2.638 40 0 EFABRO O=C1COC2(CC[NH+](Cc3ccco3)CC2)CN1c1ccccc1 ZINC000096049225 473273596 /nfs/dbraw/zinc/27/35/96/473273596.db2.gz YRFPPQHNRXDDPN-UHFFFAOYSA-N 1 0 326.396 2.678 40 0 EFABRO Cc1ccc(C(=O)N2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096053895 473275162 /nfs/dbraw/zinc/27/51/62/473275162.db2.gz SCLLUZLHCYEOKB-HZPDHXFCSA-N 1 0 328.387 2.931 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)o1 ZINC000096050906 473273808 /nfs/dbraw/zinc/27/38/08/473273808.db2.gz JLUOZIJIANMXDK-SFHVURJKSA-N 1 0 345.468 2.978 40 0 EFABRO c1cncc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049560 473274396 /nfs/dbraw/zinc/27/43/96/473274396.db2.gz XMTBGZPBESEEDN-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000096050629 473274520 /nfs/dbraw/zinc/27/45/20/473274520.db2.gz PEFDQEFNZAIBEE-FQEVSTJZSA-N 1 0 339.414 2.845 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)s1 ZINC000096052183 473275828 /nfs/dbraw/zinc/27/58/28/473275828.db2.gz OABLQQAZSZHJQM-QGZVFWFLSA-N 1 0 348.512 2.908 40 0 EFABRO Fc1ccc(CN2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052021 473276619 /nfs/dbraw/zinc/27/66/19/473276619.db2.gz UBJDVHBBLSDMBF-QUCCMNQESA-N 1 0 348.462 2.529 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)NCC3CC3)C3(C2)CCOCC3)s1 ZINC000096052134 473276753 /nfs/dbraw/zinc/27/67/53/473276753.db2.gz OPVIFBSVMAENJW-KRWDZBQOSA-N 1 0 348.512 2.811 40 0 EFABRO O=C([C@H]1C[N@H+](Cc2ccsc2)CC12CCOCC2)N1CCCC1 ZINC000096052175 473276812 /nfs/dbraw/zinc/27/68/12/473276812.db2.gz RBCDPEFFEJKYEF-MRXNPFEDSA-N 1 0 334.485 2.599 40 0 EFABRO Fc1ccc(CN2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052337 473276837 /nfs/dbraw/zinc/27/68/37/473276837.db2.gz WDBLFMSDUUZMCM-UXHICEINSA-N 1 0 348.462 2.672 40 0 EFABRO O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000096054140 473279075 /nfs/dbraw/zinc/27/90/75/473279075.db2.gz KDMJXAAEDREHOD-ZIAGYGMSSA-N 1 0 333.482 2.799 40 0 EFABRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1cccs1)CC2 ZINC000096061372 473285170 /nfs/dbraw/zinc/28/51/70/473285170.db2.gz OOWKTASHZCIMQO-INIZCTEOSA-N 1 0 327.453 2.781 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)o1 ZINC000096056599 473280248 /nfs/dbraw/zinc/28/02/48/473280248.db2.gz QYZJTNCWSGSNBK-QZTJIDSGSA-N 1 0 325.412 2.749 40 0 EFABRO c1csc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096057920 473280483 /nfs/dbraw/zinc/28/04/83/473280483.db2.gz HLCOROORYALAEV-RCCFBDPRSA-N 1 0 336.501 2.592 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccs3)C[C@H]21 ZINC000096058254 473280745 /nfs/dbraw/zinc/28/07/45/473280745.db2.gz NPPHQYPHSFZCLT-IXDOHACOSA-N 1 0 334.485 2.501 40 0 EFABRO c1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)co1 ZINC000096056423 473280871 /nfs/dbraw/zinc/28/08/71/473280871.db2.gz FOFXTUQKUUNSEO-GUDVDZBRSA-N 1 0 335.444 2.845 40 0 EFABRO COc1ccc(CN2C[C@@H]([NH+]3CCCC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057101 473280935 /nfs/dbraw/zinc/28/09/35/473280935.db2.gz SNYKJUFASYDGMP-SXLOBPIMSA-N 1 0 330.472 2.770 40 0 EFABRO Cc1ccc(C[N@@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)s1 ZINC000096058639 473282994 /nfs/dbraw/zinc/28/29/94/473282994.db2.gz LZPJGVYOJOYGLH-CQSZACIVSA-N 1 0 329.469 2.951 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)cc1 ZINC000096058648 473283444 /nfs/dbraw/zinc/28/34/44/473283444.db2.gz UTAIDLCJUBJTBY-INIZCTEOSA-N 1 0 339.439 2.590 40 0 EFABRO Fc1ccc(C[N@@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)cc1 ZINC000096058645 473283678 /nfs/dbraw/zinc/28/36/78/473283678.db2.gz VVCAVEACOUPCTC-OAHLLOKOSA-N 1 0 327.403 2.720 40 0 EFABRO c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccncc3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096058348 473283818 /nfs/dbraw/zinc/28/38/18/473283818.db2.gz FSMXWUVGIIWRHB-ACRUOGEOSA-N 1 0 335.451 2.684 40 0 EFABRO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000096059953 473284180 /nfs/dbraw/zinc/28/41/80/473284180.db2.gz IPTGXWSECPHGNP-GOSISDBHSA-N 1 0 333.476 2.655 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)o1 ZINC000096061286 473284850 /nfs/dbraw/zinc/28/48/50/473284850.db2.gz ICPDFRMVVKDAHA-BOUXLOLZSA-N 1 0 346.471 2.874 40 0 EFABRO c1cc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)cs1 ZINC000096061075 473285627 /nfs/dbraw/zinc/28/56/27/473285627.db2.gz ROIQOXJXJLCVEI-OAHLLOKOSA-N 1 0 326.425 2.695 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)o1 ZINC000096065438 473287510 /nfs/dbraw/zinc/28/75/10/473287510.db2.gz QNMBIXLHNSGBCM-QYZOEREBSA-N 1 0 345.443 2.623 40 0 EFABRO Cc1ccc(C(=O)N2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1 ZINC000096063060 473287836 /nfs/dbraw/zinc/28/78/36/473287836.db2.gz QMFARGMGNDFHPO-GOSISDBHSA-N 1 0 328.456 2.855 40 0 EFABRO O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCC2)O1 ZINC000096065367 473288039 /nfs/dbraw/zinc/28/80/39/473288039.db2.gz CPLBQZCSIQEYQK-QRVBRYPASA-N 1 0 343.471 2.510 40 0 EFABRO Cc1occc1C(=O)N1CCOC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096070377 473288560 /nfs/dbraw/zinc/28/85/60/473288560.db2.gz ISWKVIHZQUINLN-IBGZPJMESA-N 1 0 344.411 2.546 40 0 EFABRO CC(C)C[N@@H+]1CCC[C@@]12CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096071084 473289971 /nfs/dbraw/zinc/28/99/71/473289971.db2.gz HPNXVOLXJOFNDI-SFHVURJKSA-N 1 0 336.501 2.713 40 0 EFABRO Cn1cnc(C(=O)N2CCC[C@@]23CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000096071384 473289623 /nfs/dbraw/zinc/28/96/23/473289623.db2.gz JBPRACVMAXKYGQ-HXUWFJFHSA-N 1 0 338.455 2.691 40 0 EFABRO Fc1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)cc1 ZINC000096061085 473285366 /nfs/dbraw/zinc/28/53/66/473285366.db2.gz GYDQHCFSSZNLFC-QGZVFWFLSA-N 1 0 338.386 2.773 40 0 EFABRO CS(=O)(=O)N1CCCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096078148 473290950 /nfs/dbraw/zinc/29/09/50/473290950.db2.gz QPBOAUDFTKGPOU-UHFFFAOYSA-N 1 0 328.503 2.528 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cc[nH]n1)CC2 ZINC000096075292 473290969 /nfs/dbraw/zinc/29/09/69/473290969.db2.gz ZWRIHUIYVVMEFC-UHFFFAOYSA-N 1 0 329.448 2.645 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@@H](NCc1cncn1C)c1ccccc1O2 ZINC000096079755 473290995 /nfs/dbraw/zinc/29/09/95/473290995.db2.gz LJNAWVXYPWOKLI-GOSISDBHSA-N 1 0 340.471 2.888 40 0 EFABRO CCC[NH+]1CCC(N2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080583 473291138 /nfs/dbraw/zinc/29/11/38/473291138.db2.gz PEZVVCFAXYMTME-APWZRJJASA-N 1 0 342.487 2.709 40 0 EFABRO C[NH+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000096075458 473291639 /nfs/dbraw/zinc/29/16/39/473291639.db2.gz NHDXFJIPSKJPMB-QRWLVFNGSA-N 1 0 341.455 2.741 40 0 EFABRO COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CC[N@H+](Cc3ccoc3)CC[C@H]12 ZINC000096089012 473293835 /nfs/dbraw/zinc/29/38/35/473293835.db2.gz ZKYXIYKIXFZBNO-GUDVDZBRSA-N 1 0 346.471 2.623 40 0 EFABRO CC(C)[N@H+](C)Cc1nn(C)c2c1CCN(C(=O)c1ccsc1)C2 ZINC000096084164 473293993 /nfs/dbraw/zinc/29/39/93/473293993.db2.gz WJEGJIJEPCIROT-UHFFFAOYSA-N 1 0 332.473 2.520 40 0 EFABRO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096107563 473299903 /nfs/dbraw/zinc/29/99/03/473299903.db2.gz WLBNTXBTCFYDNN-LPHOPBHVSA-N 1 0 343.402 2.818 40 0 EFABRO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cs1 ZINC000096107782 473299967 /nfs/dbraw/zinc/29/99/67/473299967.db2.gz LALZZKRGCDTXNQ-SJORKVTESA-N 1 0 334.441 2.995 40 0 EFABRO COC[C@@H]1COCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC000096106328 473298279 /nfs/dbraw/zinc/29/82/79/473298279.db2.gz ZZCFJRYYQZMROD-LJQANCHMSA-N 1 0 333.472 2.968 40 0 EFABRO Cn1cc(C[NH+]2CCC3(C[C@@H](OCC4CCCC4)CO3)CC2)cn1 ZINC000096106667 473298527 /nfs/dbraw/zinc/29/85/27/473298527.db2.gz ZKGSFRHLVCKPPD-GOSISDBHSA-N 1 0 333.476 2.750 40 0 EFABRO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cs1 ZINC000096108137 473300044 /nfs/dbraw/zinc/30/00/44/473300044.db2.gz AFWDPCZABPOWMA-WMLDXEAASA-N 1 0 349.525 2.846 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107530 473299708 /nfs/dbraw/zinc/29/97/08/473299708.db2.gz QGRUYJMKIMAUHQ-ICSRJNTNSA-N 1 0 339.439 2.988 40 0 EFABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccco2)C3)cs1 ZINC000096108904 473301259 /nfs/dbraw/zinc/30/12/59/473301259.db2.gz NLPAZFRUNSQPIV-PBHICJAKSA-N 1 0 334.441 2.710 40 0 EFABRO COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108846 473301532 /nfs/dbraw/zinc/30/15/32/473301532.db2.gz VQHXSOCFLNNOAD-XLIONFOSSA-N 1 0 340.423 2.618 40 0 EFABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cs1 ZINC000096108986 473301881 /nfs/dbraw/zinc/30/18/81/473301881.db2.gz LPUQKEVFZCGGGM-AEFFLSMTSA-N 1 0 330.453 2.808 40 0 EFABRO CO[C@@H]1CC[N@H+](Cc2cccs2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108586 473302373 /nfs/dbraw/zinc/30/23/73/473302373.db2.gz SWNHRRTYWNZJDG-IPMKNSEASA-N 1 0 343.496 2.864 40 0 EFABRO O=C(CC1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108202 473302726 /nfs/dbraw/zinc/30/27/26/473302726.db2.gz OVAXSTVZYXLPLU-ZWKOTPCHSA-N 1 0 332.444 2.519 40 0 EFABRO CC(C)[NH+]1CCC2(CC[C@@H](C(=O)NCCc3cccs3)O2)CC1 ZINC000096110009 473303924 /nfs/dbraw/zinc/30/39/24/473303924.db2.gz LXGOTDNQYMJDQU-INIZCTEOSA-N 1 0 336.501 2.829 40 0 EFABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112743 473304717 /nfs/dbraw/zinc/30/47/17/473304717.db2.gz LAUHNVPKIZYWJF-HNNXBMFYSA-N 1 0 343.427 2.817 40 0 biogenic,in-vitro EFABRO Fc1cccc(C[N@@H+]2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108126 473300112 /nfs/dbraw/zinc/30/01/12/473300112.db2.gz UFYNTMMGWPCTLF-AZUAARDMSA-N 1 0 341.430 2.554 40 0 EFABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]C1CCCC1)C2 ZINC000096112897 473305513 /nfs/dbraw/zinc/30/55/13/473305513.db2.gz OBYZBZSPURRGRJ-HNNXBMFYSA-N 1 0 327.428 2.990 40 0 biogenic,in-vitro EFABRO C[N@H+](Cc1ccco1)C1CC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096159257 473319874 /nfs/dbraw/zinc/31/98/74/473319874.db2.gz CYDOSCOIWMOTOK-UHFFFAOYSA-N 1 0 340.427 2.586 40 0 EFABRO COCCC(=O)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157594 473316288 /nfs/dbraw/zinc/31/62/88/473316288.db2.gz KDAZPOAKQPHFIU-UHFFFAOYSA-N 1 0 334.435 2.677 40 0 EFABRO C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096158713 473317706 /nfs/dbraw/zinc/31/77/06/473317706.db2.gz RWTLZMRBEPHMGV-OAHLLOKOSA-N 1 0 344.484 2.798 40 0 EFABRO COc1cccc(CN2CCOC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC000096158873 473318442 /nfs/dbraw/zinc/31/84/42/473318442.db2.gz MTKXNISPEYAMML-UHFFFAOYSA-N 1 0 330.472 2.772 40 0 EFABRO Cc1ccccc1C(=O)N1CC[C@H]2[C@H](C[C@@H](CN(C)C)[N@H+]2C(C)C)C1 ZINC000096185565 473327223 /nfs/dbraw/zinc/32/72/23/473327223.db2.gz RERPCLMKUVSXDK-HBFSDRIKSA-N 1 0 343.515 2.870 40 0 EFABRO Cc1nc(CO[C@H]2C[N@H+](Cc3cccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096185083 473327812 /nfs/dbraw/zinc/32/78/12/473327812.db2.gz JRGKXUSAMDGBDB-XHSDSOJGSA-N 1 0 336.482 2.929 40 0 EFABRO c1cncc(C[N@H+]2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)c1 ZINC000096186743 473328448 /nfs/dbraw/zinc/32/84/48/473328448.db2.gz NEDUZKLQLXPYKJ-QYZOEREBSA-N 1 0 325.412 2.678 40 0 EFABRO Cc1ccc(CN2Cc3nccn3C[C@H](C[NH+]3CCCC3)C2)s1 ZINC000096188346 473330884 /nfs/dbraw/zinc/33/08/84/473330884.db2.gz VZCQVQFBCMQXBN-MRXNPFEDSA-N 1 0 330.501 2.981 40 0 EFABRO Cc1ccc(C[NH2+][C@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)o1 ZINC000096196613 473332714 /nfs/dbraw/zinc/33/27/14/473332714.db2.gz BTFKYNODWDCFQD-SFHVURJKSA-N 1 0 349.434 2.840 40 0 EFABRO Cc1ccc(C[NH2+][C@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)o1 ZINC000096196589 473332957 /nfs/dbraw/zinc/33/29/57/473332957.db2.gz LQIVSCBADAMRHV-SFHVURJKSA-N 1 0 349.434 2.840 40 0 EFABRO CCO[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)[C@@H]1Cc1cnn(C)c1 ZINC000096200624 473335321 /nfs/dbraw/zinc/33/53/21/473335321.db2.gz RNDKPKFWBDCRBC-RTBURBONSA-N 1 0 329.444 2.651 40 0 EFABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccccc1 ZINC000096200807 473336746 /nfs/dbraw/zinc/33/67/46/473336746.db2.gz DMHKMTZPCMNJSZ-MOPGFXCFSA-N 1 0 338.455 2.643 40 0 EFABRO O=C1COC2(CC[NH+](Cc3cccs3)CC2)CN1c1cccnc1 ZINC000096201433 473339012 /nfs/dbraw/zinc/33/90/12/473339012.db2.gz HOBIEEMLYDKZCD-UHFFFAOYSA-N 1 0 343.452 2.541 40 0 EFABRO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202173 473337218 /nfs/dbraw/zinc/33/72/18/473337218.db2.gz CJDHKKPXXYWLED-QGZVFWFLSA-N 1 0 349.525 2.929 40 0 EFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)[C@@H]2C ZINC000096201238 473337642 /nfs/dbraw/zinc/33/76/42/473337642.db2.gz SUAZVMIMXXKUCY-CQSZACIVSA-N 1 0 333.480 2.752 40 0 EFABRO Cc1cc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)c(C)o1 ZINC000096201068 473338139 /nfs/dbraw/zinc/33/81/39/473338139.db2.gz FGFKPRZPZDFKRY-UHFFFAOYSA-N 1 0 330.432 2.589 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096202207 473338234 /nfs/dbraw/zinc/33/82/34/473338234.db2.gz OUYUCWYYRMADGF-SFHVURJKSA-N 1 0 347.484 2.769 40 0 EFABRO CCN1CC2(CC[NH+](Cc3ccccc3F)CC2)[C@H](COC)C1=O ZINC000096205825 473340134 /nfs/dbraw/zinc/34/01/34/473340134.db2.gz JMQBOHDOCYTROJ-MRXNPFEDSA-N 1 0 334.435 2.533 40 0 EFABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccco3)C2)C1)c1ccsc1 ZINC000096205973 473340180 /nfs/dbraw/zinc/34/01/80/473340180.db2.gz JJVVWMAXZHAEPU-MAUKXSAKSA-N 1 0 346.452 2.895 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208262 473342118 /nfs/dbraw/zinc/34/21/18/473342118.db2.gz RFXLRQUBJFVJLV-GOSISDBHSA-N 1 0 332.488 2.692 40 0 EFABRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733900 473342810 /nfs/dbraw/zinc/34/28/10/473342810.db2.gz YNIJSHOWINIBGF-MJGOQNOKSA-N 1 0 344.842 2.924 40 0 EFABRO C[N@@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)c1cscn1)CC2 ZINC000096209079 473344232 /nfs/dbraw/zinc/34/42/32/473344232.db2.gz INVINRAHBIYCKJ-OAHLLOKOSA-N 1 0 349.500 2.639 40 0 EFABRO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[C@H](C[NH+](C)C)O3)cc1F ZINC000096209253 473344981 /nfs/dbraw/zinc/34/49/81/473344981.db2.gz YKGIYXJVFDIGJI-VQIMIIECSA-N 1 0 334.435 2.850 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)cc1 ZINC000096208705 473345218 /nfs/dbraw/zinc/34/52/18/473345218.db2.gz XTBLJWUUMIFMSJ-PZJWPPBQSA-N 1 0 342.483 2.995 40 0 EFABRO c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096208633 473345265 /nfs/dbraw/zinc/34/52/65/473345265.db2.gz HJAHTZXFOFZKAE-QUCCMNQESA-N 1 0 338.455 2.960 40 0 EFABRO Cc1ccsc1C[N@@H+]1CC[C@H]2OCC[C@@]2(CCNC(=O)C2CC2)C1 ZINC000096208333 473345401 /nfs/dbraw/zinc/34/54/01/473345401.db2.gz RSEHEDHZXGNBHC-MJGOQNOKSA-N 1 0 348.512 2.954 40 0 EFABRO Cc1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(C)o1 ZINC000096209876 473346273 /nfs/dbraw/zinc/34/62/73/473346273.db2.gz GXRXYWGUFNCMDB-YLJYHZDGSA-N 1 0 346.471 2.717 40 0 EFABRO Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CN1CCOCC1)O2 ZINC000096214940 473346868 /nfs/dbraw/zinc/34/68/68/473346868.db2.gz NHKQOPYACDJXRH-AZUAARDMSA-N 1 0 348.462 2.672 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)c3cscn3)CC2)[N@@H+]1CC1CC1 ZINC000096209926 473347742 /nfs/dbraw/zinc/34/77/42/473347742.db2.gz IWTNYXCMJIBLDL-OAHLLOKOSA-N 1 0 349.500 2.639 40 0 EFABRO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12)Nc1cccnc1 ZINC000096215613 473347807 /nfs/dbraw/zinc/34/78/07/473347807.db2.gz ZIEWPJMHAIPWEB-DJIMGWMZSA-N 1 0 343.452 2.619 40 0 EFABRO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccco4)C[C@H]23)c1 ZINC000096216924 473349764 /nfs/dbraw/zinc/34/97/64/473349764.db2.gz NQKIASLYPIEHJY-JCURWCKSSA-N 1 0 334.803 2.854 40 0 EFABRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)N1CCCO1 ZINC000096216618 473350568 /nfs/dbraw/zinc/35/05/68/473350568.db2.gz FHFCIDQLSJEOIQ-KRWDZBQOSA-N 1 0 348.418 2.503 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)n1 ZINC000096219164 473351441 /nfs/dbraw/zinc/35/14/41/473351441.db2.gz FAJHCCKMABPPJX-LPHOPBHVSA-N 1 0 342.418 2.770 40 0 EFABRO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000096219492 473352662 /nfs/dbraw/zinc/35/26/62/473352662.db2.gz DSZWEIHALCTBFQ-BMGDILEWSA-N 1 0 345.830 2.656 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221691 473352981 /nfs/dbraw/zinc/35/29/81/473352981.db2.gz CKPDRHQWNJNKTI-QGZVFWFLSA-N 1 0 343.427 2.889 40 0 EFABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348913 /nfs/dbraw/zinc/34/89/13/473348913.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 1 0 338.879 2.619 40 0 EFABRO Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222729 473354860 /nfs/dbraw/zinc/35/48/60/473354860.db2.gz ONWHCLWEPSRFDZ-PMACEKPBSA-N 1 0 340.471 2.964 40 0 EFABRO Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222726 473355065 /nfs/dbraw/zinc/35/50/65/473355065.db2.gz ONWHCLWEPSRFDZ-UXHICEINSA-N 1 0 340.471 2.964 40 0 EFABRO Cc1ccccc1C(=O)N1CCC2(CC1)COCC[N@@H+]2CC1CC1 ZINC000096226183 473357321 /nfs/dbraw/zinc/35/73/21/473357321.db2.gz ACUOSTRYLNWEML-UHFFFAOYSA-N 1 0 328.456 2.712 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)NCC4CC4)=NO3)C2)cc1C ZINC000096225500 473357529 /nfs/dbraw/zinc/35/75/29/473357529.db2.gz CFHGIPVVXALZOQ-FQEVSTJZSA-N 1 0 341.455 2.550 40 0 EFABRO O=C(Cc1ccsc1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228807 473358400 /nfs/dbraw/zinc/35/84/00/473358400.db2.gz RQVVAZQGUQZZEC-LJQANCHMSA-N 1 0 348.512 2.642 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cc1 ZINC000096229152 473358788 /nfs/dbraw/zinc/35/87/88/473358788.db2.gz KQWHWRTVAMZIKZ-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO COCCC[N@@H+]1CCCC12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096227928 473359082 /nfs/dbraw/zinc/35/90/82/473359082.db2.gz XCJNSVXDNFDWAC-UHFFFAOYSA-N 1 0 336.501 2.784 40 0 EFABRO O=C(c1ccc(F)cc1)N1CCC[C@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228816 473359704 /nfs/dbraw/zinc/35/97/04/473359704.db2.gz GKBHLEQJIIVECJ-FQEVSTJZSA-N 1 0 346.446 2.790 40 0 EFABRO O=C1CCC2(CCC([NH2+][C@@H]3CCOC3)CC2)N1Cc1ccccc1 ZINC000096228613 473359758 /nfs/dbraw/zinc/35/97/58/473359758.db2.gz VHSAMBCWPIFZLT-QPIRBTGLSA-N 1 0 328.456 2.869 40 0 EFABRO Cc1nc(CN2C[C@]3(CC[N@H+](Cc4ccco4)C3)CC2=O)cs1 ZINC000096239362 473361223 /nfs/dbraw/zinc/36/12/23/473361223.db2.gz YIUCWUDKKJMTEH-QGZVFWFLSA-N 1 0 331.441 2.669 40 0 EFABRO CC(=O)N1CCC2(C[C@@H]([NH+]3CCOCC3)c3ccc(C)cc32)CC1 ZINC000096241756 473361746 /nfs/dbraw/zinc/36/17/46/473361746.db2.gz ZGXPGYHHJBWFRX-LJQANCHMSA-N 1 0 328.456 2.652 40 0 EFABRO Cn1cc(-c2ncnc3c2CC[N@H+](Cc2ccsc2)CC3)cn1 ZINC000096255188 473367037 /nfs/dbraw/zinc/36/70/37/473367037.db2.gz SNVZHYQLVFXWAI-UHFFFAOYSA-N 1 0 325.441 2.539 40 0 EFABRO CC(C)[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249583 473364947 /nfs/dbraw/zinc/36/49/47/473364947.db2.gz PAVIDHBXZBCYFH-RTBURBONSA-N 1 0 330.472 2.577 40 0 EFABRO Cc1nc(CN2CCO[C@@H]3CC[N@H+](Cc4ccoc4)CC[C@@H]32)cs1 ZINC000096249400 473365503 /nfs/dbraw/zinc/36/55/03/473365503.db2.gz AQIJKKNHIMJDJT-ZWKOTPCHSA-N 1 0 347.484 2.910 40 0 EFABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000096261194 473368184 /nfs/dbraw/zinc/36/81/84/473368184.db2.gz FRTGUQZQBOEASP-AEFFLSMTSA-N 1 0 328.456 2.503 40 0 EFABRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000096261150 473368454 /nfs/dbraw/zinc/36/84/54/473368454.db2.gz XNWFXWGRUQWEOZ-IEBWSBKVSA-N 1 0 342.483 2.894 40 0 EFABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1C ZINC000096261575 473369747 /nfs/dbraw/zinc/36/97/47/473369747.db2.gz XUOHONRZROLTKM-SIXWZSSISA-N 1 0 329.419 2.687 40 0 EFABRO COc1ccccc1C[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000096402785 473379028 /nfs/dbraw/zinc/37/90/28/473379028.db2.gz JVYQIZKJQPSGPF-UHFFFAOYSA-N 1 0 325.456 2.887 40 0 EFABRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000096402789 473379242 /nfs/dbraw/zinc/37/92/42/473379242.db2.gz AJJZWESGONFSHO-UHFFFAOYSA-N 1 0 341.430 2.784 40 0 EFABRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000096410418 473389189 /nfs/dbraw/zinc/38/91/89/473389189.db2.gz XGWJBLVXCUUAEP-IBGZPJMESA-N 1 0 339.439 2.550 40 0 EFABRO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(F)cc3)C2=O)cc1 ZINC000000084266 471320969 /nfs/dbraw/zinc/32/09/69/471320969.db2.gz TXICQISKVQKXHM-KRWDZBQOSA-N 1 0 326.371 2.598 40 0 EFABRO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000000811860 471376198 /nfs/dbraw/zinc/37/61/98/471376198.db2.gz WVDOYECEGDNFGF-SFHVURJKSA-N 1 0 325.408 2.753 40 0 EFABRO CCOCCOc1ccccc1[C@H](Cc1ccccc1)[NH2+]CCO ZINC000001666332 471394428 /nfs/dbraw/zinc/39/44/28/471394428.db2.gz SHTOTXRMVUPPEF-IBGZPJMESA-N 1 0 329.440 2.968 40 0 EFABRO O=C(CN1c2ccccc2Sc2ccccc21)N1CC[NH2+]CC1 ZINC000001636543 471394610 /nfs/dbraw/zinc/39/46/10/471394610.db2.gz KERGMAWZXBYECN-UHFFFAOYSA-N 1 0 325.437 2.721 40 0 EFABRO C[NH+]1CCC2(CC1)C(=O)N(Nc1ccccc1)C(=O)[C@@H]2c1ccccc1 ZINC000001702257 471395921 /nfs/dbraw/zinc/39/59/21/471395921.db2.gz GQAIJEWIJRRXHS-SFHVURJKSA-N 1 0 349.434 2.878 40 0 EFABRO COc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc4c(c3)OCO4)cc2c1 ZINC000003848838 471455801 /nfs/dbraw/zinc/45/58/01/471455801.db2.gz GAGPCGPQHIYFGD-UHFFFAOYSA-N 1 0 338.363 2.555 40 0 EFABRO C[NH+](C)CCCOC(=O)[C@H](c1ccccc1)C1(O)CCSCC1 ZINC000006371956 471543500 /nfs/dbraw/zinc/54/35/00/471543500.db2.gz RYKFIZFIXZWKPO-INIZCTEOSA-N 1 0 337.485 2.523 40 0 EFABRO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1Cl ZINC000006495900 471547430 /nfs/dbraw/zinc/54/74/30/471547430.db2.gz CGMKQAKELINUJV-MRXNPFEDSA-N 1 0 335.831 2.574 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007224761 471599452 /nfs/dbraw/zinc/59/94/52/471599452.db2.gz YRSCEPYBHFNSHI-ULQDDVLXSA-N 1 0 345.487 2.828 40 0 EFABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OC ZINC000008253575 471675204 /nfs/dbraw/zinc/67/52/04/471675204.db2.gz MMKBIBHFRYSEDD-UHFFFAOYSA-N 1 0 332.238 2.717 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266798 471676526 /nfs/dbraw/zinc/67/65/26/471676526.db2.gz KNUMYPWPQPYLBT-OFQRWUPVSA-N 1 0 329.444 2.625 40 0 EFABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Br)c1OC ZINC000008327002 471681033 /nfs/dbraw/zinc/68/10/33/471681033.db2.gz LOIHJAMYBYAOEQ-LLVKDONJSA-N 1 0 332.238 2.717 40 0 EFABRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCCC1 ZINC000010111085 471728094 /nfs/dbraw/zinc/72/80/94/471728094.db2.gz ASPZQRSNHLZLBW-MDZDMXLPSA-N 1 0 331.416 2.990 40 0 EFABRO COc1ccc(/C=C/C(=O)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000010540241 471737639 /nfs/dbraw/zinc/73/76/39/471737639.db2.gz ZUSKSQCWCLYGST-SOFGYWHQSA-N 1 0 346.471 2.955 40 0 EFABRO CC[C@H](C[NH+]1CCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012362884 471773920 /nfs/dbraw/zinc/77/39/20/471773920.db2.gz YQFBOGJZTBYQPM-GOSISDBHSA-N 1 0 330.472 2.725 40 0 EFABRO CCOC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000013676882 471837616 /nfs/dbraw/zinc/83/76/16/471837616.db2.gz SVGBAAQBEMDCJO-UHFFFAOYSA-N 1 0 344.455 2.698 40 0 EFABRO CCN(CC)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C(C)(C)C)on1 ZINC000015673251 471914471 /nfs/dbraw/zinc/91/44/71/471914471.db2.gz JMYWJBORTYGJCJ-GJZGRUSLSA-N 1 0 335.492 2.999 40 0 biogenic,in-vitro EFABRO O=C(CSc1ccc2ccccc2n1)NCC[NH+]1CCCCC1 ZINC000016526045 471940134 /nfs/dbraw/zinc/94/01/34/471940134.db2.gz UEYNDPCNASNDSB-UHFFFAOYSA-N 1 0 329.469 2.929 40 0 EFABRO CC(C)/C=C\[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000017249792 471959082 /nfs/dbraw/zinc/95/90/82/471959082.db2.gz LFEGCLWKAFYJIE-POQYLXETSA-N 1 0 329.440 2.724 40 0 EFABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](CC4CC4)[C@@H]32)cc1 ZINC000019019342 471976522 /nfs/dbraw/zinc/97/65/22/471976522.db2.gz JJEHMBVARFURHI-VAMGGRTRSA-N 1 0 328.456 2.884 40 0 EFABRO Cc1cccc(C[N@@H+]2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)n1 ZINC000019236339 471978611 /nfs/dbraw/zinc/97/86/11/471978611.db2.gz QVYXXUVPMZAIRF-AEFFLSMTSA-N 1 0 346.438 2.663 40 0 EFABRO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000019456966 471979920 /nfs/dbraw/zinc/97/99/20/471979920.db2.gz JSTJPAHZTPPKFI-INIZCTEOSA-N 1 0 325.460 2.925 40 0 EFABRO c1ccc([C@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000019369963 471980089 /nfs/dbraw/zinc/98/00/89/471980089.db2.gz VDAIANPEOGZTFZ-IBGZPJMESA-N 1 0 338.455 2.693 40 0 EFABRO Cc1ccc(-c2cc(C[C@]3(C(=O)NC(C)C)CCC[NH2+]3)on2)cc1 ZINC000019696478 471982805 /nfs/dbraw/zinc/98/28/05/471982805.db2.gz LAWSXFBVZBMQST-IBGZPJMESA-N 1 0 327.428 2.839 40 0 EFABRO CC[N@H+](C)[C@H]1CN(Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704019 471982942 /nfs/dbraw/zinc/98/29/42/471982942.db2.gz ADCYZWCXILNYCH-QGZVFWFLSA-N 1 0 331.508 2.772 40 0 EFABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)NC4CC4)CCC[NH2+]3)on2)cc1 ZINC000019696448 471983252 /nfs/dbraw/zinc/98/32/52/471983252.db2.gz JWPMJLCFXYAUTL-LJQANCHMSA-N 1 0 325.412 2.593 40 0 EFABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCOCC2)nc2c1CCCN2C ZINC000019706227 471983416 /nfs/dbraw/zinc/98/34/16/471983416.db2.gz CLNSAMPCMANAGO-QGZVFWFLSA-N 1 0 330.476 2.873 40 0 EFABRO CNc1cc(C[NH2+]C)nc([C@@H]2CCCN2Cc2ccccc2C)n1 ZINC000019760617 471984313 /nfs/dbraw/zinc/98/43/13/471984313.db2.gz HLNIEHCTRPBAMS-KRWDZBQOSA-N 1 0 325.460 2.883 40 0 EFABRO C[N@@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)c1n[nH]c2c1CCCCCC2 ZINC000019712547 471985183 /nfs/dbraw/zinc/98/51/83/471985183.db2.gz WOQASBCZRBTGPN-IAGOWNOFSA-N 1 0 330.476 2.768 40 0 EFABRO CC=C1C[NH2+][C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000033849103 471986569 /nfs/dbraw/zinc/98/65/69/471986569.db2.gz NKTORRNHKYVXSU-XXMLWKDOSA-N 1 0 338.407 2.620 40 0 EFABRO C/C=C1/C[N@H+]2CC[C@]34c5cc(O)ccc5NC3=C(C(=O)OC)[C@H]1C[C@H]24 ZINC000053275900 471992035 /nfs/dbraw/zinc/99/20/35/471992035.db2.gz BVYFBTHLXBZJTR-ZQUMFQRDSA-N 1 0 338.407 2.537 40 0 EFABRO Cc1nc2cc(-c3ccc(F)cc3)nn2c(N2CC[NH+](C)CC2)c1C ZINC000035314335 471995178 /nfs/dbraw/zinc/99/51/78/471995178.db2.gz YXOBHGILOGFZOI-UHFFFAOYSA-N 1 0 339.418 2.904 40 0 EFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690227 472079575 /nfs/dbraw/zinc/07/95/75/472079575.db2.gz LGEBOWPOLKLAJM-ZOBUZTSGSA-N 1 0 325.424 2.845 40 0 EFABRO COc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000025313804 472090379 /nfs/dbraw/zinc/09/03/79/472090379.db2.gz FSUAYQZRORTJRY-QGZVFWFLSA-N 1 0 327.428 2.990 40 0 EFABRO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439465 472135826 /nfs/dbraw/zinc/13/58/26/472135826.db2.gz HNTWGRBLQRTXAK-OKZBNKHCSA-N 1 0 335.536 2.830 40 0 EFABRO CC(C)(C)[NH2+]C[C@@H](O)COCCOc1ccc(Br)cc1 ZINC000026780651 472148622 /nfs/dbraw/zinc/14/86/22/472148622.db2.gz BQMUFWOGUSKRIS-CYBMUJFWSA-N 1 0 346.265 2.594 40 0 EFABRO CC[N@H+](C[C@H](O)COCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000027754555 472194287 /nfs/dbraw/zinc/19/42/87/472194287.db2.gz LOMPITTUNWDTCD-KRWDZBQOSA-N 1 0 335.444 2.947 40 0 EFABRO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/c2cnn(C)c2)cc1 ZINC000028715222 472235440 /nfs/dbraw/zinc/23/54/40/472235440.db2.gz MVMCZFZFHPSHJV-ZHACJKMWSA-N 1 0 326.444 2.592 40 0 EFABRO Cc1nnc([C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)[nH]1 ZINC000085357181 472237250 /nfs/dbraw/zinc/23/72/50/472237250.db2.gz OYSFZLGLJNGLCF-OAHLLOKOSA-N 1 0 330.436 2.694 40 0 EFABRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000085457821 472250569 /nfs/dbraw/zinc/25/05/69/472250569.db2.gz OORQTFXGOOOKQX-SOLBZPMBSA-N 1 0 346.471 2.558 40 0 EFABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc2ncsc2c1 ZINC000085473128 472253088 /nfs/dbraw/zinc/25/30/88/472253088.db2.gz JQBZMIGRCXTLDD-CYBMUJFWSA-N 1 0 335.498 2.806 40 0 EFABRO CCn1nc(C)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076388909 472336624 /nfs/dbraw/zinc/33/66/24/472336624.db2.gz GLBNDSQBTKFOAO-QGZVFWFLSA-N 1 0 340.471 2.948 40 0 EFABRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000044888947 472347340 /nfs/dbraw/zinc/34/73/40/472347340.db2.gz UBXCSAGJDDSZDS-INIZCTEOSA-N 1 0 340.423 2.708 40 0 EFABRO COc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1OC ZINC000030900187 472353401 /nfs/dbraw/zinc/35/34/01/472353401.db2.gz FZOMZMZKMAGXRK-UHFFFAOYSA-N 1 0 327.428 2.989 40 0 EFABRO NC(=O)C1([NH2+]Cc2ccccc2OCC(F)(F)F)CCCCC1 ZINC000088544663 472372298 /nfs/dbraw/zinc/37/22/98/472372298.db2.gz YUDSQZLUYOUNMX-UHFFFAOYSA-N 1 0 330.350 2.906 40 0 EFABRO Cn1cc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000031524784 472381209 /nfs/dbraw/zinc/38/12/09/472381209.db2.gz BQLYOCNGEVXHLD-MDZDMXLPSA-N 1 0 338.455 2.736 40 0 EFABRO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000031666937 472387707 /nfs/dbraw/zinc/38/77/07/472387707.db2.gz AWINOKBACWJRJM-FQEVSTJZSA-N 1 0 340.467 2.865 40 0 EFABRO COc1ccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000089453785 472441859 /nfs/dbraw/zinc/44/18/59/472441859.db2.gz HZJCXUXVCILVKM-MRXNPFEDSA-N 1 0 340.423 2.749 40 0 EFABRO COC1(C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)CCOCC1 ZINC000097095364 472443265 /nfs/dbraw/zinc/44/32/65/472443265.db2.gz OUJPJRPDTADOFI-IEBWSBKVSA-N 1 0 332.488 2.682 40 0 EFABRO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000097100572 472446154 /nfs/dbraw/zinc/44/61/54/472446154.db2.gz TUHFDIVVJYPRPC-INIZCTEOSA-N 1 0 340.471 2.900 40 0 EFABRO COc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000097103187 472446886 /nfs/dbraw/zinc/44/68/86/472446886.db2.gz FMAZVTKWJQOHEX-UHFFFAOYSA-N 1 0 334.441 2.866 40 0 EFABRO O=C(CCN1CC[NH+](CCc2ccccc2)CC1)NC1CCCCC1 ZINC000032870932 472475493 /nfs/dbraw/zinc/47/54/93/472475493.db2.gz ABBWBVGEDZULFF-UHFFFAOYSA-N 1 0 343.515 2.686 40 0 EFABRO CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CCO1 ZINC000097236258 472486318 /nfs/dbraw/zinc/48/63/18/472486318.db2.gz FYBWMCVRSYFLOX-GBESFXJTSA-N 1 0 330.472 2.972 40 0 EFABRO CN(C(=O)c1cccc(O)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000097236545 472486599 /nfs/dbraw/zinc/48/65/99/472486599.db2.gz ZEWUANXBTKAQEK-UHFFFAOYSA-N 1 0 339.439 2.566 40 0 EFABRO C[N@H+](CCc1nnc(N)s1)Cc1cc(Br)cs1 ZINC000097373520 472493846 /nfs/dbraw/zinc/49/38/46/472493846.db2.gz ACBVXHOPCIAMGS-UHFFFAOYSA-N 1 0 333.280 2.619 40 0 EFABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](c1ccccn1)O2 ZINC000098186057 472525287 /nfs/dbraw/zinc/52/52/87/472525287.db2.gz IZMQEYHBCVPOJA-HNNXBMFYSA-N 1 0 333.432 2.512 40 0 EFABRO O[C@H](C[NH2+]CCc1c[nH]c2ccccc12)COc1ccc(F)cc1 ZINC000089866611 472527549 /nfs/dbraw/zinc/52/75/49/472527549.db2.gz LHXKEASIOJXLRC-MRXNPFEDSA-N 1 0 328.387 2.879 40 0 EFABRO COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000077457128 472530289 /nfs/dbraw/zinc/53/02/89/472530289.db2.gz XGIJFSNXTLWGBM-NEPJUHHUSA-N 1 0 331.865 2.794 40 0 EFABRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000071190461 472544585 /nfs/dbraw/zinc/54/45/85/472544585.db2.gz KHFSWFDYLMPZRV-JTQLQIEISA-N 1 0 329.213 2.612 40 0 EFABRO COc1ccc(CCC(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1 ZINC000090700042 472653153 /nfs/dbraw/zinc/65/31/53/472653153.db2.gz DSMYPDOQSYNKIC-MRXNPFEDSA-N 1 0 336.501 2.524 40 0 EFABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)CSc1ccc(F)cc1 ZINC000090700097 472653212 /nfs/dbraw/zinc/65/32/12/472653212.db2.gz FUPJTLPHIHTGPU-AWEZNQCLSA-N 1 0 342.505 2.814 40 0 EFABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)Cc1ccccc1Cl ZINC000090700077 472653728 /nfs/dbraw/zinc/65/37/28/472653728.db2.gz NOSAJZSBVNTMRT-AWEZNQCLSA-N 1 0 326.893 2.778 40 0 EFABRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CCCO1 ZINC000090859041 472661214 /nfs/dbraw/zinc/66/12/14/472661214.db2.gz WMRGCRJMFHHSRZ-CQDKDKBSSA-N 1 0 329.437 2.837 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393096 472662817 /nfs/dbraw/zinc/66/28/17/472662817.db2.gz RSAXUCTYHLKSNZ-INIZCTEOSA-N 1 0 347.422 2.607 40 0 EFABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072355620 472663384 /nfs/dbraw/zinc/66/33/84/472663384.db2.gz VBBVEEKXZQIWBY-INIZCTEOSA-N 1 0 327.432 2.541 40 0 EFABRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000090909246 472664414 /nfs/dbraw/zinc/66/44/14/472664414.db2.gz NCYXVGBDYRZVDG-HXUWFJFHSA-N 1 0 343.446 2.682 40 0 EFABRO CCOc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1OC ZINC000105005417 472712657 /nfs/dbraw/zinc/71/26/57/472712657.db2.gz GEQFXOOHMXATGN-OAHLLOKOSA-N 1 0 333.432 2.796 40 0 EFABRO O=c1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccn12 ZINC000072867382 472731177 /nfs/dbraw/zinc/73/11/77/472731177.db2.gz VEOCNSWWVMSCTL-MOPGFXCFSA-N 1 0 349.434 2.783 40 0 EFABRO COC(=O)c1c(NC(=O)[C@@H]2CCC[N@H+](C)C2)sc2c1CCCC2 ZINC000078578536 472736855 /nfs/dbraw/zinc/73/68/55/472736855.db2.gz XMUDQGQWAITROE-LLVKDONJSA-N 1 0 336.457 2.694 40 0 EFABRO COC(=O)c1cccc(NC(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000048326323 472857486 /nfs/dbraw/zinc/85/74/86/472857486.db2.gz ROLXWCJCGWNFIX-ZIAGYGMSSA-N 1 0 333.432 2.573 40 0 EFABRO COC(=O)c1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000048326314 472857760 /nfs/dbraw/zinc/85/77/60/472857760.db2.gz ORKKBJFDLPYQPL-KGLIPLIRSA-N 1 0 333.432 2.715 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000073743039 472866553 /nfs/dbraw/zinc/86/65/53/472866553.db2.gz IOUWOMBISMTJLQ-LLVKDONJSA-N 1 0 344.242 2.532 40 0 EFABRO O=C(NCc1cccs1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000107207898 472933663 /nfs/dbraw/zinc/93/36/63/472933663.db2.gz HUJYXOGRZGHFNK-BRWVUGGUSA-N 1 0 346.452 2.779 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000107228713 472934828 /nfs/dbraw/zinc/93/48/28/472934828.db2.gz XJWCKTVSHCYCHU-MJGOQNOKSA-N 1 0 342.418 2.851 40 0 EFABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107226622 472935001 /nfs/dbraw/zinc/93/50/01/472935001.db2.gz FLEVCERPNJKUPS-AEFFLSMTSA-N 1 0 346.381 2.600 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000107226219 472935165 /nfs/dbraw/zinc/93/51/65/472935165.db2.gz SGPXYXMELVKMCZ-RDTXWAMCSA-N 1 0 346.406 2.671 40 0 EFABRO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)n1 ZINC000107255223 472936426 /nfs/dbraw/zinc/93/64/26/472936426.db2.gz SVYFEFFWIBHZCO-UXHICEINSA-N 1 0 338.455 2.655 40 0 EFABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)cc1 ZINC000107746016 472979282 /nfs/dbraw/zinc/97/92/82/472979282.db2.gz XXCBJADUKRDHQI-REPLKXPHSA-N 1 0 337.423 2.797 40 0 EFABRO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000107731474 472980613 /nfs/dbraw/zinc/98/06/13/472980613.db2.gz CCTBFLIAOOSLLU-VQIMIIECSA-N 1 0 342.443 2.638 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532088 473035717 /nfs/dbraw/zinc/03/57/17/473035717.db2.gz LOQWFVZBCMTYCW-YJBOKZPZSA-N 1 0 349.425 2.860 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000108531096 473035763 /nfs/dbraw/zinc/03/57/63/473035763.db2.gz BFHLDJFMYZFNKP-AEFFLSMTSA-N 1 0 349.425 2.988 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2)N1CCCCO1 ZINC000108530946 473036093 /nfs/dbraw/zinc/03/60/93/473036093.db2.gz MBKWECXOKPHPBI-IEBWSBKVSA-N 1 0 329.444 2.628 40 0 EFABRO Cc1cccc(C)c1C[NH+]1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108533196 473036981 /nfs/dbraw/zinc/03/69/81/473036981.db2.gz ZVSHSYSRPUQSJZ-UHFFFAOYSA-N 1 0 336.501 2.597 40 0 EFABRO Cc1ccsc1S(=O)(=O)N1CCC2(CC([NH+](C)C)C2)CC1 ZINC000108533879 473037978 /nfs/dbraw/zinc/03/79/78/473037978.db2.gz VPMFSTSRXHWJKU-UHFFFAOYSA-N 1 0 328.503 2.551 40 0 EFABRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108929071 473067027 /nfs/dbraw/zinc/06/70/27/473067027.db2.gz YRSCEPYBHFNSHI-IXDOHACOSA-N 1 0 345.487 2.828 40 0 EFABRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000109047931 473076134 /nfs/dbraw/zinc/07/61/34/473076134.db2.gz TXXIQJMGQHYJBI-MJBXVCDLSA-N 1 0 333.432 2.903 40 0 EFABRO Cc1cc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)no1 ZINC000075149127 473140370 /nfs/dbraw/zinc/14/03/70/473140370.db2.gz ZKMJPCHTMVGIMF-KRWDZBQOSA-N 1 0 326.400 2.507 40 0 EFABRO COC(=O)c1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)o1 ZINC000075154722 473141248 /nfs/dbraw/zinc/14/12/48/473141248.db2.gz IAFBGAQALYTXNL-UHFFFAOYSA-N 1 0 331.416 2.792 40 0 EFABRO C[N@@H+]1CCC[C@H](CN[C@@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636792 473167582 /nfs/dbraw/zinc/16/75/82/473167582.db2.gz MUAFWYMDBAZTJO-NXHRZFHOSA-N 1 0 343.496 2.947 40 0 EFABRO CCS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000110705116 473172336 /nfs/dbraw/zinc/17/23/36/473172336.db2.gz OSDZAUNXMHVQCK-KWCYVHTRSA-N 1 0 328.503 2.659 40 0 EFABRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000136864283 473182241 /nfs/dbraw/zinc/18/22/41/473182241.db2.gz LVEOPDMEIYJIMW-IRXDYDNUSA-N 1 0 344.455 2.575 40 0 EFABRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](c1cnn(C)c1)N(C)C ZINC000095422632 473201310 /nfs/dbraw/zinc/20/13/10/473201310.db2.gz LKGFPLKSJHXDAJ-ZWKOTPCHSA-N 1 0 328.460 2.835 40 0 EFABRO CCn1nc(C)cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000096418530 473398624 /nfs/dbraw/zinc/39/86/24/473398624.db2.gz ALIMCOSVELGRIF-UHFFFAOYSA-N 1 0 339.443 2.980 40 0 EFABRO Cc1nc(-c2cccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c2)no1 ZINC000096423592 473401404 /nfs/dbraw/zinc/40/14/04/473401404.db2.gz WFOFIQAWTKUISI-AWEZNQCLSA-N 1 0 342.443 2.897 40 0 EFABRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000096424638 473403764 /nfs/dbraw/zinc/40/37/64/473403764.db2.gz MGFYIDWVEHDCCG-GOSISDBHSA-N 1 0 325.456 2.805 40 0 EFABRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430958 473409328 /nfs/dbraw/zinc/40/93/28/473409328.db2.gz LPRGMBQYWCYVBJ-HNNXBMFYSA-N 1 0 334.435 2.824 40 0 EFABRO CC[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCS1 ZINC000096433884 473412417 /nfs/dbraw/zinc/41/24/17/473412417.db2.gz BAPPTWIYRUDAPS-OAHLLOKOSA-N 1 0 348.516 2.798 40 0 EFABRO CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)oc(=O)n2C)[NH+](C)C ZINC000096434624 473413860 /nfs/dbraw/zinc/41/38/60/473413860.db2.gz QJJDLPACZDQNBQ-OAHLLOKOSA-N 1 0 348.447 2.619 40 0 EFABRO CC(C)c1nnc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)[nH]1 ZINC000096436270 473415612 /nfs/dbraw/zinc/41/56/12/473415612.db2.gz FYWMPJDDSXJABZ-UHFFFAOYSA-N 1 0 327.388 2.988 40 0 EFABRO Cc1noc(CCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000096436318 473416935 /nfs/dbraw/zinc/41/69/35/473416935.db2.gz NRDXOUFDSMTQFJ-UHFFFAOYSA-N 1 0 342.399 2.548 40 0 EFABRO C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000096439579 473417514 /nfs/dbraw/zinc/41/75/14/473417514.db2.gz BPDRLEZDOSMEBC-ROUUACIJSA-N 1 0 343.471 2.735 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000096440796 473419280 /nfs/dbraw/zinc/41/92/80/473419280.db2.gz FOSYGQLBEKXMCV-RTBURBONSA-N 1 0 347.478 2.606 40 0 EFABRO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000096441426 473419930 /nfs/dbraw/zinc/41/99/30/473419930.db2.gz JULYSHLLHHODDO-PKOBYXMFSA-N 1 0 330.472 2.671 40 0 EFABRO COCCOC1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000096441439 473420469 /nfs/dbraw/zinc/42/04/69/473420469.db2.gz KTSAYIYUOMAVEF-LJQANCHMSA-N 1 0 346.471 2.618 40 0 EFABRO CSC[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000096441318 473420539 /nfs/dbraw/zinc/42/05/39/473420539.db2.gz RCIDZIOFVMDWRS-CQSZACIVSA-N 1 0 336.501 2.623 40 0 EFABRO Cn1cc(CCC(=O)OC2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000096442745 473421512 /nfs/dbraw/zinc/42/15/12/473421512.db2.gz WMYDGADIHURBMH-UHFFFAOYSA-N 1 0 333.457 2.622 40 0 EFABRO Cc1noc(-c2cccnc2N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000096444384 473422110 /nfs/dbraw/zinc/42/21/10/473422110.db2.gz JXZIKVZGCRRZSF-CABCVRRESA-N 1 0 327.432 2.892 40 0 EFABRO CC(C)OCC[NH+]1CCC(Nc2ncc(Br)cn2)CC1 ZINC000096447478 473426796 /nfs/dbraw/zinc/42/67/96/473426796.db2.gz QBTBHSQYEKBGIQ-UHFFFAOYSA-N 1 0 343.269 2.540 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000096454425 473430146 /nfs/dbraw/zinc/43/01/46/473430146.db2.gz YCUIMVLIRQESNB-PBHICJAKSA-N 1 0 327.403 2.861 40 0 EFABRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ncncc1Cl ZINC000096454924 473430755 /nfs/dbraw/zinc/43/07/55/473430755.db2.gz FOKBLKPAMGFSAB-OAHLLOKOSA-N 1 0 344.846 2.915 40 0 EFABRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000096478534 473439092 /nfs/dbraw/zinc/43/90/92/473439092.db2.gz SGJIPZHUAOZXMO-OLZOCXBDSA-N 1 0 349.500 2.722 40 0 EFABRO CC(C)C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476706 473439153 /nfs/dbraw/zinc/43/91/53/473439153.db2.gz IKFXIBVLIMSLOT-MOPGFXCFSA-N 1 0 349.544 2.966 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096478256 473439519 /nfs/dbraw/zinc/43/95/19/473439519.db2.gz PIMFJUUTLNVARC-XCZFOBESSA-N 1 0 344.499 2.679 40 0 EFABRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000096481294 473440832 /nfs/dbraw/zinc/44/08/32/473440832.db2.gz MYYRBPSAVQCOHX-LLVKDONJSA-N 1 0 343.374 2.690 40 0 EFABRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCNC(=O)C(C)(C)C)c(C)c1 ZINC000096478747 473441491 /nfs/dbraw/zinc/44/14/91/473441491.db2.gz NZWFRDKMRWNLOL-HNNXBMFYSA-N 1 0 333.476 2.772 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000096486629 473444154 /nfs/dbraw/zinc/44/41/54/473444154.db2.gz LSOZTCQXSJLKQW-SUMWQHHRSA-N 1 0 344.459 2.533 40 0 EFABRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCCN4CCOCC4)C3)nc2c1 ZINC000096490636 473445425 /nfs/dbraw/zinc/44/54/25/473445425.db2.gz JXIDMRVLURIHIR-QGZVFWFLSA-N 1 0 342.487 2.773 40 0 EFABRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000096491700 473447732 /nfs/dbraw/zinc/44/77/32/473447732.db2.gz UNOBETPBVCWCRN-HZPDHXFCSA-N 1 0 331.522 2.775 40 0 EFABRO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491309 473447906 /nfs/dbraw/zinc/44/79/06/473447906.db2.gz YXYBQAXCEYRCNN-AWEZNQCLSA-N 1 0 345.468 2.696 40 0 EFABRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(O[C@@H]2CCOC2)n1 ZINC000096493513 473449123 /nfs/dbraw/zinc/44/91/23/473449123.db2.gz MJJHHRVEIZDTTJ-JFRXWTBNSA-N 1 0 344.455 2.687 40 0 EFABRO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1 ZINC000096493365 473449198 /nfs/dbraw/zinc/44/91/98/473449198.db2.gz NAAHUFJVSOFOOR-LBPRGKRZSA-N 1 0 336.819 2.986 40 0 EFABRO CCO[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCCC2 ZINC000096493346 473449214 /nfs/dbraw/zinc/44/92/14/473449214.db2.gz INSFHJXLXNRJRT-HOTGVXAUSA-N 1 0 332.492 2.874 40 0 EFABRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c(Br)c1 ZINC000096493407 473449539 /nfs/dbraw/zinc/44/95/39/473449539.db2.gz GVQQEFUAAJUAFF-WDEREUQCSA-N 1 0 341.249 2.729 40 0 EFABRO C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000096493451 473449686 /nfs/dbraw/zinc/44/96/86/473449686.db2.gz JXTOCARIPMPWJT-NSHDSACASA-N 1 0 342.848 2.772 40 0 EFABRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000096494744 473450858 /nfs/dbraw/zinc/45/08/58/473450858.db2.gz GJTWRVSMDOWJJJ-NWDGAFQWSA-N 1 0 329.366 2.728 40 0 EFABRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000096494745 473451064 /nfs/dbraw/zinc/45/10/64/473451064.db2.gz GJTWRVSMDOWJJJ-RYUDHWBXSA-N 1 0 329.366 2.728 40 0 EFABRO C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096500862 473452386 /nfs/dbraw/zinc/45/23/86/473452386.db2.gz CPOZXWSTQPAXDA-IPELMVKDSA-N 1 0 345.487 2.631 40 0 EFABRO Cc1nc(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000096500849 473452784 /nfs/dbraw/zinc/45/27/84/473452784.db2.gz LTWJAXDOVBWIJG-UHFFFAOYSA-N 1 0 333.480 2.794 40 0 EFABRO C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000165706746 473513596 /nfs/dbraw/zinc/51/35/96/473513596.db2.gz OWHOHVDBHFCILX-FUHWJXTLSA-N 1 0 330.472 2.518 40 0 EFABRO c1ccc(C2CC([NH2+]C[C@@]3(N4CCOCC4)CCSC3)C2)cc1 ZINC000127225023 473590249 /nfs/dbraw/zinc/59/02/49/473590249.db2.gz PODBQFQOWPEQMG-ACBHZAAOSA-N 1 0 332.513 2.730 40 0 EFABRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000192067576 473620566 /nfs/dbraw/zinc/62/05/66/473620566.db2.gz ZZLFYXWBAQBSSA-RBUKOAKNSA-N 1 0 327.428 2.561 40 0 EFABRO COC1(C[NH2+][C@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCC1 ZINC000153404351 473623567 /nfs/dbraw/zinc/62/35/67/473623567.db2.gz AVUMANKLFQXGOR-GJZGRUSLSA-N 1 0 342.439 2.753 40 0 EFABRO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000127871075 473658971 /nfs/dbraw/zinc/65/89/71/473658971.db2.gz BFCNPGUVQKXLFW-KOLCDFICSA-N 1 0 339.212 2.845 40 0 EFABRO Cc1c[nH+]ccc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000192544493 473690996 /nfs/dbraw/zinc/69/09/96/473690996.db2.gz QXFXMWUCKPFVEY-UHFFFAOYSA-N 1 0 334.441 2.699 40 0 EFABRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)o1)CC2 ZINC000192983835 473755831 /nfs/dbraw/zinc/75/58/31/473755831.db2.gz NWOROZPGALYDFD-UWVGGRQHSA-N 1 0 339.237 2.862 40 0 EFABRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)c(C)c1 ZINC000180418367 473871839 /nfs/dbraw/zinc/87/18/39/473871839.db2.gz MJLPTMCVNWLEOU-LLVKDONJSA-N 1 0 334.279 2.843 40 0 EFABRO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194355807 473885212 /nfs/dbraw/zinc/88/52/12/473885212.db2.gz ZYXJMMNBTDKNPN-SFHVURJKSA-N 1 0 344.455 2.511 40 0 EFABRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000194448382 473899772 /nfs/dbraw/zinc/89/97/72/473899772.db2.gz COWPMABXBYXKIK-GBESFXJTSA-N 1 0 327.472 2.950 40 0 EFABRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(OCC)cc1 ZINC000263979964 473927544 /nfs/dbraw/zinc/92/75/44/473927544.db2.gz PNNHPMWSVNKKAP-UHFFFAOYSA-N 1 0 349.475 2.652 40 0 EFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000195278348 474046050 /nfs/dbraw/zinc/04/60/50/474046050.db2.gz HFVBVICJXSMWSQ-INIZCTEOSA-N 1 0 343.475 2.716 40 0 EFABRO COc1cc2c(cc1NC(=O)C[C@@H]1C[NH2+]CCO1)oc1ccccc12 ZINC000195531122 474090159 /nfs/dbraw/zinc/09/01/59/474090159.db2.gz NCZUOORITXGXPF-GFCCVEGCSA-N 1 0 340.379 2.912 40 0 EFABRO COC(=O)[C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000195532684 474090656 /nfs/dbraw/zinc/09/06/56/474090656.db2.gz IZLZDGVKFWWMJM-JVPBZIDWSA-N 1 0 342.439 2.660 40 0 EFABRO O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)[C@H]1C[NH2+]CCO1 ZINC000195543283 474091827 /nfs/dbraw/zinc/09/18/27/474091827.db2.gz YFVNANHNQKHKQS-IAGOWNOFSA-N 1 0 348.805 2.673 40 0 EFABRO CC[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549846 474092769 /nfs/dbraw/zinc/09/27/69/474092769.db2.gz HJKMKTIOPNQAAW-CHWSQXEVSA-N 1 0 331.865 2.664 40 0 EFABRO COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC000195549399 474093422 /nfs/dbraw/zinc/09/34/22/474093422.db2.gz GXESMGQYKJWSJG-UKRRQHHQSA-N 1 0 330.384 2.984 40 0 EFABRO OC[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557676 474094068 /nfs/dbraw/zinc/09/40/68/474094068.db2.gz VBHFUSNAXDMQBH-RDTXWAMCSA-N 1 0 330.403 2.875 40 0 EFABRO COc1cccc([C@H]2[C@@H]([NH2+]C3CCN(C)CC3)CCN2C2CC2)c1 ZINC000195554146 474094459 /nfs/dbraw/zinc/09/44/59/474094459.db2.gz DILBIQPHBVSQLP-PMACEKPBSA-N 1 0 329.488 2.657 40 0 EFABRO CN(C)C(=O)OCC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000195560940 474096026 /nfs/dbraw/zinc/09/60/26/474096026.db2.gz YXQPTMIHQGATCG-MRXNPFEDSA-N 1 0 340.851 2.784 40 0 EFABRO C[C@H](CCc1ccc(F)c(F)c1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000195570410 474099087 /nfs/dbraw/zinc/09/90/87/474099087.db2.gz MDMGCWPPFVJFQE-UKRRQHHQSA-N 1 0 339.430 2.879 40 0 EFABRO CCN1CC[NH+](C[C@@H](C)CNc2cncc(Br)c2)CC1 ZINC000195575056 474099129 /nfs/dbraw/zinc/09/91/29/474099129.db2.gz QGIGPZCZRHLEPW-ZDUSSCGKSA-N 1 0 341.297 2.530 40 0 EFABRO Cc1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1Br ZINC000188465030 474102666 /nfs/dbraw/zinc/10/26/66/474102666.db2.gz MEJGMQQXFKEYCP-UHFFFAOYSA-N 1 0 340.265 2.651 40 0 EFABRO COc1ccc(F)c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1OC ZINC000188674040 474161946 /nfs/dbraw/zinc/16/19/46/474161946.db2.gz WJPXRAJQDUJYMV-ZDUSSCGKSA-N 1 0 338.423 2.837 40 0 EFABRO Fc1ccc(CN2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247551823 474180303 /nfs/dbraw/zinc/18/03/03/474180303.db2.gz WDBLFMSDUUZMCM-PMACEKPBSA-N 1 0 348.462 2.672 40 0 EFABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223210002 474180534 /nfs/dbraw/zinc/18/05/34/474180534.db2.gz OJZYXDDGKNTHCS-HOTGVXAUSA-N 1 0 330.457 2.599 40 0 EFABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223210371 474181269 /nfs/dbraw/zinc/18/12/69/474181269.db2.gz SFDRTAMIPOYVBA-DLBZAZTESA-N 1 0 344.484 2.907 40 0 EFABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)[nH]1 ZINC000223255499 474181935 /nfs/dbraw/zinc/18/19/35/474181935.db2.gz AHCFLZCPLSPMNI-IRXDYDNUSA-N 1 0 343.500 2.561 40 0 EFABRO Fc1cc2ncnc(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)c2cc1F ZINC000247562405 474182596 /nfs/dbraw/zinc/18/25/96/474182596.db2.gz ZEEMXXMUYPRTBB-BNLOLNQZSA-N 1 0 330.382 2.829 40 0 EFABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)[nH]1 ZINC000223255394 474182628 /nfs/dbraw/zinc/18/26/28/474182628.db2.gz AHCFLZCPLSPMNI-SJORKVTESA-N 1 0 343.500 2.561 40 0 EFABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])[C@H](C)OC(C)(C)C)ccc12 ZINC000224545703 474197750 /nfs/dbraw/zinc/19/77/50/474197750.db2.gz QZLOQBPLCQEGDR-MEDUHNTESA-N 1 0 332.400 2.571 40 0 EFABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+](C)C)ccc1Cl ZINC000225402841 474208757 /nfs/dbraw/zinc/20/87/57/474208757.db2.gz DYUNLKQKCPRDSC-UHFFFAOYSA-N 1 0 343.880 2.755 40 0 EFABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1C ZINC000225410186 474210381 /nfs/dbraw/zinc/21/03/81/474210381.db2.gz QHSMGMPEAFZCLJ-UHFFFAOYSA-N 1 0 349.500 2.944 40 0 EFABRO COCC[NH+]1CCC(NC(=O)N2CCC=C(c3ccccc3)C2)CC1 ZINC000225459660 474213066 /nfs/dbraw/zinc/21/30/66/474213066.db2.gz VPDBGBJOWBAYRQ-UHFFFAOYSA-N 1 0 343.471 2.596 40 0 EFABRO O=C1OC[C@@H]2CCN(Cc3ccccn3)Cc3ccc(F)cc3N12 ZINC000225484560 474216390 /nfs/dbraw/zinc/21/63/90/474216390.db2.gz IYCNEQVOCWIUIF-INIZCTEOSA-N 1 0 327.359 2.952 40 0 biogenic,in-vitro EFABRO Nc1ncnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000225485054 474216495 /nfs/dbraw/zinc/21/64/95/474216495.db2.gz MZDXINJCRDLCEH-MRVPVSSYSA-N 1 0 346.744 2.769 40 0 EFABRO O=C(CC1CC1)NCC[C@@H]1Cn2nccc2C[N@@H+](C2CCCC2)C1 ZINC000247865262 474218207 /nfs/dbraw/zinc/21/82/07/474218207.db2.gz OLEDFUOXOGZVCW-INIZCTEOSA-N 1 0 330.476 2.564 40 0 EFABRO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccccc1Br ZINC000225528598 474221757 /nfs/dbraw/zinc/22/17/57/474221757.db2.gz IIBPZENTRVRTJU-GFCCVEGCSA-N 1 0 341.249 2.889 40 0 EFABRO CCc1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225561907 474225021 /nfs/dbraw/zinc/22/50/21/474225021.db2.gz PPSOKRLLBBVNCA-UHFFFAOYSA-N 1 0 330.472 2.870 40 0 EFABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000225568094 474226012 /nfs/dbraw/zinc/22/60/12/474226012.db2.gz DVZICLFODMQTAY-CQSZACIVSA-N 1 0 340.439 2.912 40 0 EFABRO COc1cccc(CN2Cc3ccnn3C[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000247924401 474226262 /nfs/dbraw/zinc/22/62/62/474226262.db2.gz YZGOMLLNZHEKJA-SFHVURJKSA-N 1 0 340.471 2.620 40 0 EFABRO CCc1[nH+]c2ccccc2c(NCCOCCS(C)(=O)=O)c1C ZINC000225573799 474226527 /nfs/dbraw/zinc/22/65/27/474226527.db2.gz YOTWHFMCLXFXGK-UHFFFAOYSA-N 1 0 336.457 2.579 40 0 EFABRO O=C(NCc1cccs1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225576606 474226690 /nfs/dbraw/zinc/22/66/90/474226690.db2.gz UQWDYYXKVZNIIO-CQSZACIVSA-N 1 0 339.530 2.765 40 0 EFABRO C[N@@H+]1CC[C@@H](Nc2nccn3c2nnc3C2CC2)[C@@H]1c1ccccc1 ZINC000225599956 474228690 /nfs/dbraw/zinc/22/86/90/474228690.db2.gz PPAIESSKKICYPF-CVEARBPZSA-N 1 0 334.427 2.859 40 0 EFABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCCOc1ccc(F)cc1 ZINC000226170779 474239642 /nfs/dbraw/zinc/23/96/42/474239642.db2.gz LGEBOWPOLKLAJM-HLLBOEOZSA-N 1 0 325.424 2.845 40 0 EFABRO Cc1cc(CN2CC3(C2)C[C@H](OCC2CCCC2)CS3)n(C)n1 ZINC000248041042 474249486 /nfs/dbraw/zinc/24/94/86/474249486.db2.gz OGBCFPXOMUJCHA-KRWDZBQOSA-N 1 0 335.517 2.995 40 0 EFABRO Fc1cccc(F)c1CNc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228936430 474251262 /nfs/dbraw/zinc/25/12/62/474251262.db2.gz BPOGPENDDVFPJZ-UHFFFAOYSA-N 1 0 344.369 2.641 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)c2ccoc2C)Cc2cncn21 ZINC000248059974 474252626 /nfs/dbraw/zinc/25/26/26/474252626.db2.gz ZTBAAIMDNSFZJR-OAHLLOKOSA-N 1 0 330.432 2.714 40 0 EFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000248100427 474258984 /nfs/dbraw/zinc/25/89/84/474258984.db2.gz DPJLPRZCEGBGCK-AWEZNQCLSA-N 1 0 336.863 2.913 40 0 EFABRO C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000248138477 474268188 /nfs/dbraw/zinc/26/81/88/474268188.db2.gz SNHLWKCAODEHPW-HNNXBMFYSA-N 1 0 340.452 2.857 40 0 EFABRO C[C@H]1[C@H](CC[NH+](C)C)COCCN1C(=O)c1cnc2ccccc2c1 ZINC000248154500 474271420 /nfs/dbraw/zinc/27/14/20/474271420.db2.gz YSAQCVUVJNFOMS-DOTOQJQBSA-N 1 0 341.455 2.664 40 0 EFABRO Cc1cc(CN2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)no1 ZINC000248158196 474271886 /nfs/dbraw/zinc/27/18/86/474271886.db2.gz WHWWXFOUTRCQFE-KRWDZBQOSA-N 1 0 333.476 2.553 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)nn1 ZINC000283060362 474288463 /nfs/dbraw/zinc/28/84/63/474288463.db2.gz JMXPHNOJVKGWKF-IAGOWNOFSA-N 1 0 331.391 2.712 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)nn1 ZINC000283060359 474288667 /nfs/dbraw/zinc/28/86/67/474288667.db2.gz JMXPHNOJVKGWKF-DLBZAZTESA-N 1 0 331.391 2.712 40 0 EFABRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)nn1 ZINC000283227328 474344709 /nfs/dbraw/zinc/34/47/09/474344709.db2.gz TYUVCSSWBHVCSL-HOTGVXAUSA-N 1 0 331.416 2.947 40 0 EFABRO C[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@H]1C ZINC000248559614 474357559 /nfs/dbraw/zinc/35/75/59/474357559.db2.gz MICLXXGHIQJXDX-IDCJVQTKSA-N 1 0 339.501 2.712 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000248757264 474428266 /nfs/dbraw/zinc/42/82/66/474428266.db2.gz VJLVPKAVHYJZTB-KKBVYLPWSA-N 1 0 335.469 2.698 40 0 EFABRO [NH3+][C@H](C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000237995746 474518001 /nfs/dbraw/zinc/51/80/01/474518001.db2.gz CTGPDTWFPDDNQG-RDJZCZTQSA-N 1 0 330.453 2.956 40 0 EFABRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)n1 ZINC000249202767 474544987 /nfs/dbraw/zinc/54/49/87/474544987.db2.gz ULKRQDQKSYNWNT-AGIUHOORSA-N 1 0 344.381 2.626 40 0 EFABRO Cn1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894827 474551801 /nfs/dbraw/zinc/55/18/01/474551801.db2.gz IQFDQTQVCUKZAR-GUYCJALGSA-N 1 0 336.842 2.995 40 0 EFABRO C[C@@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000249289766 474552441 /nfs/dbraw/zinc/55/24/41/474552441.db2.gz VFGWUMDRYMDIQI-BJLQDIEVSA-N 1 0 345.487 2.644 40 0 EFABRO CC(C)n1nnnc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249285579 474552777 /nfs/dbraw/zinc/55/27/77/474552777.db2.gz LOMOJHHAWGZQQJ-MNZLEMJZSA-N 1 0 342.491 2.500 40 0 EFABRO CC(C)N(CC[NH3+])[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242575121 474559954 /nfs/dbraw/zinc/55/99/54/474559954.db2.gz NSNJJHAYNYRHKN-MSOLQXFVSA-N 1 0 333.476 2.893 40 0 EFABRO CCN1CC[C@H](NC(=O)[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245287253 474573461 /nfs/dbraw/zinc/57/34/61/474573461.db2.gz BRCNPISXZRHFHQ-VBNZEHGJSA-N 1 0 340.826 2.767 40 0 EFABRO C[C@H](O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000245343923 474574666 /nfs/dbraw/zinc/57/46/66/474574666.db2.gz WMLKZBPYNRHQGQ-MKBNYLNASA-N 1 0 340.826 2.677 40 0 EFABRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343882 474574937 /nfs/dbraw/zinc/57/49/37/474574937.db2.gz WGZOUMLDLMNRQY-AYOQOUSVSA-N 1 0 341.455 2.559 40 0 EFABRO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245344176 474575039 /nfs/dbraw/zinc/57/50/39/474575039.db2.gz XXWCEVFUUALOIO-IEZWGBDMSA-N 1 0 338.455 2.794 40 0 EFABRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490338 474675016 /nfs/dbraw/zinc/67/50/16/474675016.db2.gz KPYJNTFBBJAAGH-ARFHVFGLSA-N 1 0 331.522 2.727 40 0 EFABRO C[N@@H+]1CC[C@@H](Nc2nccn3c2nnc3C2CC2)[C@H]1c1ccccc1 ZINC000252540591 474696031 /nfs/dbraw/zinc/69/60/31/474696031.db2.gz PPAIESSKKICYPF-HZPDHXFCSA-N 1 0 334.427 2.859 40 0 EFABRO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252581807 474697219 /nfs/dbraw/zinc/69/72/19/474697219.db2.gz MUABDEMJMCWDES-QYZOEREBSA-N 1 0 345.487 2.512 40 0 EFABRO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000252572225 474697511 /nfs/dbraw/zinc/69/75/11/474697511.db2.gz YZSFABCRSHPGQK-XJKSGUPXSA-N 1 0 344.484 2.829 40 0 EFABRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000252586444 474699598 /nfs/dbraw/zinc/69/95/98/474699598.db2.gz QCRFSTKKDNANQQ-HRCADAONSA-N 1 0 348.491 2.884 40 0 EFABRO O=S1(=O)CC[C@H]([NH2+]CCC[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000253370514 474727112 /nfs/dbraw/zinc/72/71/12/474727112.db2.gz RWPMSARSHJBIGH-HYVNUMGLSA-N 1 0 337.485 2.826 40 0 EFABRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000253369964 474728620 /nfs/dbraw/zinc/72/86/20/474728620.db2.gz KOCWEBUPPALMJV-WTVLQJKYSA-N 1 0 344.455 2.960 40 0 EFABRO C[C@H](c1ccccn1)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000253392738 474731152 /nfs/dbraw/zinc/73/11/52/474731152.db2.gz UZCQCFUJKQZDJS-IEBWSBKVSA-N 1 0 333.476 2.694 40 0 EFABRO CCN1CC[C@H]([NH2+]CC(OC)OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000253393099 474734090 /nfs/dbraw/zinc/73/40/90/474734090.db2.gz RJRIQPRBSIDRCB-HOCLYGCPSA-N 1 0 330.831 2.823 40 0 EFABRO CC(C)C[N@@H+]1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 ZINC000253399048 474736524 /nfs/dbraw/zinc/73/65/24/474736524.db2.gz IAVUMGQUCNQDAB-SFHVURJKSA-N 1 0 329.488 2.563 40 0 biogenic,in-vitro EFABRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@H](C)C1 ZINC000253404271 474738601 /nfs/dbraw/zinc/73/86/01/474738601.db2.gz IHMGFIHYGMMVKP-MLGOLLRUSA-N 1 0 334.851 2.790 40 0 EFABRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1 ZINC000253419932 474746850 /nfs/dbraw/zinc/74/68/50/474746850.db2.gz SYWVYLUYTKRSJE-BXKDBHETSA-N 1 0 335.395 2.731 40 0 EFABRO Cc1nc2c(cccc2C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000253421134 474748381 /nfs/dbraw/zinc/74/83/81/474748381.db2.gz QTYRRXGJVWCGSA-SJORKVTESA-N 1 0 335.407 2.964 40 0 EFABRO FCCn1ncnc1CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000253425450 474751643 /nfs/dbraw/zinc/75/16/43/474751643.db2.gz CXWPZFKTORDPEI-CYBMUJFWSA-N 1 0 349.479 2.963 40 0 EFABRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000253430968 474756096 /nfs/dbraw/zinc/75/60/96/474756096.db2.gz PHOUKRPYNWSEIM-MRXNPFEDSA-N 1 0 343.471 2.948 40 0 EFABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1CC1CC1 ZINC000306123870 474806147 /nfs/dbraw/zinc/80/61/47/474806147.db2.gz AZGIQLPHIQRAHG-MOPGFXCFSA-N 1 0 339.414 2.919 40 0 EFABRO CC(C)[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccccc3)n12 ZINC000306135205 474810303 /nfs/dbraw/zinc/81/03/03/474810303.db2.gz OKVPFKXJSCHHNH-UHFFFAOYSA-N 1 0 325.460 2.590 40 0 EFABRO O=C(C1CCC1)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306134008 474810456 /nfs/dbraw/zinc/81/04/56/474810456.db2.gz NBPZKFNJNOSTQA-SFHVURJKSA-N 1 0 346.515 2.916 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141490 474811110 /nfs/dbraw/zinc/81/11/10/474811110.db2.gz VXUVCJLCDWCHPP-HOCLYGCPSA-N 1 0 339.468 2.649 40 0 EFABRO CC(C)C[N@@H+]1CC[C@@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257210588 474924798 /nfs/dbraw/zinc/92/47/98/474924798.db2.gz BVGYULSEHHKQNZ-GFCCVEGCSA-N 1 0 332.473 2.838 40 0 EFABRO CCc1ccc([C@H]2CN(C(=O)c3coc(C)n3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257274494 474926872 /nfs/dbraw/zinc/92/68/72/474926872.db2.gz NLHDCIHQHGXMHL-ZHALLVOQSA-N 1 0 339.439 2.763 40 0 EFABRO Cn1ccnc1-c1cncc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257284572 474932691 /nfs/dbraw/zinc/93/26/91/474932691.db2.gz PDFLGZMJLGZHTE-INIZCTEOSA-N 1 0 334.427 2.652 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257291056 474933760 /nfs/dbraw/zinc/93/37/60/474933760.db2.gz QFKQCDGVVFBQFZ-HNNXBMFYSA-N 1 0 336.443 2.785 40 0 EFABRO C[N@H+](Cc1cccc(OCCO)c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257292244 474936036 /nfs/dbraw/zinc/93/60/36/474936036.db2.gz QKQMIPVXDGFPOO-SFHVURJKSA-N 1 0 341.455 2.554 40 0 EFABRO Cn1ccnc1C(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2C ZINC000257298146 474938793 /nfs/dbraw/zinc/93/87/93/474938793.db2.gz RKKCXKLOUHSPJN-BZSNNMDCSA-N 1 0 338.455 2.513 40 0 EFABRO Cc1ccc(CN2C(=O)Cc3c2nc(C2CC[NH2+]CC2)nc3C)cc1 ZINC000257299026 474940094 /nfs/dbraw/zinc/94/00/94/474940094.db2.gz ROJYLCMVRPKTAT-UHFFFAOYSA-N 1 0 336.439 2.650 40 0 EFABRO Cc1ccc(C(=O)N2[C@@H](C[NH3+])C[C@]3(C)[C@H]2CCCC[C@H]3O)cc1F ZINC000257300124 474940153 /nfs/dbraw/zinc/94/01/53/474940153.db2.gz RSZBZCQNWDALGU-KLICCBINSA-N 1 0 334.435 2.617 40 0 EFABRO C[NH+](C)Cc1cnc(CC2CCN(C(=O)c3cccs3)CC2)cn1 ZINC000257298715 474941094 /nfs/dbraw/zinc/94/10/94/474941094.db2.gz RMZJULSMHUCBFR-UHFFFAOYSA-N 1 0 344.484 2.695 40 0 EFABRO c1ncc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)[nH]1 ZINC000257305753 474943230 /nfs/dbraw/zinc/94/32/30/474943230.db2.gz SRJJWJJKLUSORG-UHFFFAOYSA-N 1 0 335.415 2.718 40 0 EFABRO COCCN1C(=O)CCC[C@H]2C[N@@H+](Cc3cccc(OC)c3)CC[C@H]21 ZINC000257306556 474945933 /nfs/dbraw/zinc/94/59/33/474945933.db2.gz SUTCLZIRWLBLJO-PKOBYXMFSA-N 1 0 346.471 2.545 40 0 EFABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257311114 474946813 /nfs/dbraw/zinc/94/68/13/474946813.db2.gz UHZQXDUSNLIXLJ-KRWDZBQOSA-N 1 0 336.439 2.659 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257314728 474948869 /nfs/dbraw/zinc/94/88/69/474948869.db2.gz UYFGLSOKEMJFAV-MRXNPFEDSA-N 1 0 334.427 2.745 40 0 EFABRO CC(=O)NCc1cnc(CC2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000257315639 474948942 /nfs/dbraw/zinc/94/89/42/474948942.db2.gz VCFNUPUDUGLSKJ-UHFFFAOYSA-N 1 0 344.484 2.629 40 0 EFABRO Cc1ncsc1CN1CCO[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257319991 474951290 /nfs/dbraw/zinc/95/12/90/474951290.db2.gz VUWXRSAUDWSJMU-MRXNPFEDSA-N 1 0 332.473 2.794 40 0 EFABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257319360 474951405 /nfs/dbraw/zinc/95/14/05/474951405.db2.gz VSBIRKQOZWNRGD-INIZCTEOSA-N 1 0 325.412 2.857 40 0 EFABRO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cs1 ZINC000257321633 474952775 /nfs/dbraw/zinc/95/27/75/474952775.db2.gz WCLKTRFFACQYFG-VNQPRFMTSA-N 1 0 329.473 2.588 40 0 EFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321660 474952975 /nfs/dbraw/zinc/95/29/75/474952975.db2.gz WCPVUQYVZXWTJR-INIZCTEOSA-N 1 0 340.431 2.512 40 0 EFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321661 474953529 /nfs/dbraw/zinc/95/35/29/474953529.db2.gz WCPVUQYVZXWTJR-MRXNPFEDSA-N 1 0 340.431 2.512 40 0 EFABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2scnc2C)ccn1 ZINC000257325117 474955028 /nfs/dbraw/zinc/95/50/28/474955028.db2.gz WRNOVQJEZNOBTL-MRXNPFEDSA-N 1 0 330.457 2.820 40 0 EFABRO Cc1nn(C)c2nc([C@@H]3CCC[N@H+](Cc4ccnc(C)n4)C3)ccc12 ZINC000257326537 474955115 /nfs/dbraw/zinc/95/51/15/474955115.db2.gz WXOSVRMLWTVUOO-OAHLLOKOSA-N 1 0 336.443 2.755 40 0 EFABRO CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CC[NH3+])CC2)n1 ZINC000257325245 474956166 /nfs/dbraw/zinc/95/61/66/474956166.db2.gz WSBTXRFOXJOVIW-UHFFFAOYSA-N 1 0 342.443 2.662 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)c3)C2)cn1 ZINC000257338618 474963616 /nfs/dbraw/zinc/96/36/16/474963616.db2.gz YYEIZIVDHPUWSE-QGZVFWFLSA-N 1 0 349.442 2.728 40 0 EFABRO Cc1nc([C@H]2CCCC[NH2+]2)nc2c1CCCN2CCc1ccccn1 ZINC000257338441 474964069 /nfs/dbraw/zinc/96/40/69/474964069.db2.gz YXKRKTWHNFJSNI-GOSISDBHSA-N 1 0 337.471 2.990 40 0 EFABRO CCn1cc(C[NH+]2CCC(c3ccn4nc(C)cc4n3)CC2)c(C)n1 ZINC000257340176 474964149 /nfs/dbraw/zinc/96/41/49/474964149.db2.gz ZEXJJZVRMLACPH-UHFFFAOYSA-N 1 0 338.459 2.942 40 0 EFABRO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000260825742 474973991 /nfs/dbraw/zinc/97/39/91/474973991.db2.gz JTRSLFFZYOZOII-DOTOQJQBSA-N 1 0 336.863 2.847 40 0 EFABRO COc1cc(C)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000331870226 475440176 /nfs/dbraw/zinc/44/01/76/475440176.db2.gz UPLJYWWKFOWLNY-INIZCTEOSA-N 1 0 341.459 2.598 40 0 EFABRO CCc1cc(N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)ncn1 ZINC000332160095 475537112 /nfs/dbraw/zinc/53/71/12/475537112.db2.gz SIANPZONPQBHSA-UHFFFAOYSA-N 1 0 337.880 2.908 40 0 EFABRO C[C@@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1cccs1 ZINC000333644541 475989278 /nfs/dbraw/zinc/98/92/78/475989278.db2.gz XVZIXBPNQIQFQP-GFCCVEGCSA-N 1 0 330.457 2.515 40 0 EFABRO CC(C)(C)c1ncc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000363630906 476467498 /nfs/dbraw/zinc/46/74/98/476467498.db2.gz BTZVRMYJBJSICW-HNNXBMFYSA-N 1 0 331.464 2.866 40 0 EFABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCn3ccnc3)CC2)cc1 ZINC000408710415 476970824 /nfs/dbraw/zinc/97/08/24/476970824.db2.gz RCDBPEILQJBDEA-UHFFFAOYSA-N 1 0 340.471 2.610 40 0 EFABRO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc21 ZINC000529522111 479188731 /nfs/dbraw/zinc/18/87/31/479188731.db2.gz YMCBUOVTOYIUBL-CQSZACIVSA-N 1 0 326.444 2.710 40 0 EFABRO C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1CC1CC1 ZINC000585097918 479281540 /nfs/dbraw/zinc/28/15/40/479281540.db2.gz PDKUXLMDPJFIRQ-GFCCVEGCSA-N 1 0 347.850 2.562 40 0 EFABRO COCC(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100287 479282598 /nfs/dbraw/zinc/28/25/98/479282598.db2.gz AKYUMNDQLQCHKT-LJQANCHMSA-N 1 0 334.435 2.819 40 0 EFABRO Cc1ccc(C[N@H+]2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)o1 ZINC000585099051 479283371 /nfs/dbraw/zinc/28/33/71/479283371.db2.gz GWSLNNBSIBDDEH-KRWDZBQOSA-N 1 0 341.455 2.938 40 0 EFABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000585101930 479283560 /nfs/dbraw/zinc/28/35/60/479283560.db2.gz LVHPJOIJFUNZHB-HXUWFJFHSA-N 1 0 342.483 2.740 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103402 479284095 /nfs/dbraw/zinc/28/40/95/479284095.db2.gz FKAOEVBLBSWVAC-INIZCTEOSA-N 1 0 338.467 2.618 40 0 EFABRO Cc1cccc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103407 479284588 /nfs/dbraw/zinc/28/45/88/479284588.db2.gz BTSDWYXWQPYLNJ-HXUWFJFHSA-N 1 0 330.472 2.702 40 0 EFABRO O=C(NCC[C@@H]1CCOC12C[NH+](C1CCCC1)C2)C1CC(F)(F)C1 ZINC000585102611 479284616 /nfs/dbraw/zinc/28/46/16/479284616.db2.gz CAICFLCLPBGHDV-CQSZACIVSA-N 1 0 342.430 2.572 40 0 EFABRO CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102389 479284697 /nfs/dbraw/zinc/28/46/97/479284697.db2.gz YWQAUYQAPTWUPF-QGZVFWFLSA-N 1 0 334.489 2.752 40 0 EFABRO O=C(c1ccccc1)N1CCC2(CO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000585104733 479285963 /nfs/dbraw/zinc/28/59/63/479285963.db2.gz LQHOYDIOAPTIJJ-SFHVURJKSA-N 1 0 328.456 2.794 40 0 EFABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1cccnc1OC)CC2 ZINC000585105174 479286143 /nfs/dbraw/zinc/28/61/43/479286143.db2.gz PQAZWTODFVBGOW-KRWDZBQOSA-N 1 0 334.460 2.888 40 0 EFABRO CC(C)S(=O)(=O)N1CC[C@H]2[C@H](C[N@@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107980 479287263 /nfs/dbraw/zinc/28/72/63/479287263.db2.gz PQIXQZHXEFKYGD-NXHRZFHOSA-N 1 0 336.501 2.534 40 0 EFABRO CC(C)CC[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109729 479287300 /nfs/dbraw/zinc/28/73/00/479287300.db2.gz MGBDEJULISGQEP-ULDLNYQNSA-N 1 0 342.483 2.690 40 0 EFABRO CC(C)S(=O)(=O)N1CC[C@@H]2[C@H](C[N@@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107978 479287528 /nfs/dbraw/zinc/28/75/28/479287528.db2.gz PQIXQZHXEFKYGD-KBAYOESNSA-N 1 0 336.501 2.534 40 0 EFABRO CN(C)C(=O)CN1CCC([NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000585140307 479298075 /nfs/dbraw/zinc/29/80/75/479298075.db2.gz CAUIRTURSVQWHB-UHFFFAOYSA-N 1 0 349.862 2.728 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000585182280 479301594 /nfs/dbraw/zinc/30/15/94/479301594.db2.gz PKRLGTZNTHKMPM-HXUWFJFHSA-N 1 0 349.434 2.892 40 0 EFABRO c1c[nH]c(CN2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)n1 ZINC000585177445 479301986 /nfs/dbraw/zinc/30/19/86/479301986.db2.gz QGWSUZFOZVSHGS-OAHLLOKOSA-N 1 0 349.442 2.793 40 0 EFABRO Cc1cc([C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)ccn1 ZINC000585180251 479302592 /nfs/dbraw/zinc/30/25/92/479302592.db2.gz WBDZPUIVSUKVDR-LJQANCHMSA-N 1 0 339.439 2.665 40 0 EFABRO Cc1nccc(C[N@@H+]2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)n1 ZINC000585269253 479303440 /nfs/dbraw/zinc/30/34/40/479303440.db2.gz MWSVQIBVEJISTG-QAPCUYQASA-N 1 0 331.847 2.864 40 0 EFABRO COCCOc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OC ZINC000585270376 479303508 /nfs/dbraw/zinc/30/35/08/479303508.db2.gz VPTOKBBZWMZDFV-GOSISDBHSA-N 1 0 345.439 2.886 40 0 EFABRO C[N@@H+]1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261128 479303695 /nfs/dbraw/zinc/30/36/95/479303695.db2.gz GCQSMJIFNTYVJT-INIZCTEOSA-N 1 0 335.455 2.564 40 0 EFABRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)[C@H]1Cc1cccc(F)c1 ZINC000585275181 479305185 /nfs/dbraw/zinc/30/51/85/479305185.db2.gz ZELILXQRYHKRLM-PMACEKPBSA-N 1 0 341.430 2.933 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](Cc3cccc(F)c3)C2)[nH]1 ZINC000585277792 479306837 /nfs/dbraw/zinc/30/68/37/479306837.db2.gz PFUVILQETBRXBX-CRAIPNDOSA-N 1 0 331.435 2.845 40 0 EFABRO O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](CC2CCCCC2)C1 ZINC000585278118 479306959 /nfs/dbraw/zinc/30/69/59/479306959.db2.gz ZTHWUOSASOCELS-LJQANCHMSA-N 1 0 337.435 2.848 40 0 EFABRO Cc1cc(C)n(CCC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 ZINC000585288496 479310026 /nfs/dbraw/zinc/31/00/26/479310026.db2.gz CBSKFCKRWTWWJH-XUVXKRRUSA-N 1 0 343.471 2.841 40 0 EFABRO CO[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[C@@H]1Cc1cccc(C)c1 ZINC000585290503 479310523 /nfs/dbraw/zinc/31/05/23/479310523.db2.gz XHTDKUOOYQIIQM-DCQHUWKXSA-N 1 0 330.472 2.519 40 0 EFABRO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000575605982 479450458 /nfs/dbraw/zinc/45/04/58/479450458.db2.gz IUKBQCHUYMIRCQ-AWEZNQCLSA-N 1 0 340.826 2.710 40 0 EFABRO CCOc1ccc(NC(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000575607648 479451832 /nfs/dbraw/zinc/45/18/32/479451832.db2.gz OKACJFIAXRGXIT-QGZVFWFLSA-N 1 0 347.459 2.708 40 0 EFABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]CCC(C)(C)C)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382610 479509616 /nfs/dbraw/zinc/50/96/16/479509616.db2.gz UOTSALUTZZQKEK-BRSBDYLESA-N 1 0 349.519 2.526 40 0 biogenic,in-vitro EFABRO O[C@H](C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)CC(F)(F)F ZINC000189876779 534427018 /nfs/dbraw/zinc/42/70/18/534427018.db2.gz ONBOERJGYOGAEB-JTQLQIEISA-N 1 0 345.287 2.852 40 0 EFABRO C[NH+](C)C[C@@H]1CCC[C@]2(CCN(C(=O)CCOc3ccccc3)C2)O1 ZINC000096209705 521846068 /nfs/dbraw/zinc/84/60/68/521846068.db2.gz PWINZTNAUZRXBP-AZUAARDMSA-N 1 0 346.471 2.557 40 0 EFABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(F)c1 ZINC000168271629 525329241 /nfs/dbraw/zinc/32/92/41/525329241.db2.gz KYFIRAAVKHIISM-UHFFFAOYSA-N 1 0 326.379 2.942 40 0 EFABRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000195553790 534890263 /nfs/dbraw/zinc/89/02/63/534890263.db2.gz JAPYHQWKIXNTCY-CFVMTHIKSA-N 1 0 334.464 2.550 40 0 EFABRO CCC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000155233024 528196665 /nfs/dbraw/zinc/19/66/65/528196665.db2.gz CFYSDEREDAZYEW-KBPBESRZSA-N 1 0 330.350 2.651 40 0 EFABRO C[NH+](C)CCN(C(=O)Nc1cccc(Cl)c1)C1CCOCC1 ZINC000207958084 535845306 /nfs/dbraw/zinc/84/53/06/535845306.db2.gz QSZVIIXTZLXHGZ-UHFFFAOYSA-N 1 0 325.840 2.915 40 0 EFABRO CCn1cc(C(=O)N2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)c(C)n1 ZINC000257261429 536029876 /nfs/dbraw/zinc/02/98/76/536029876.db2.gz LHGSKCLELRJZKU-CQSZACIVSA-N 1 0 327.432 2.586 40 0 EFABRO COc1ccc(OC)c(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)c1 ZINC000217562161 536823976 /nfs/dbraw/zinc/82/39/76/536823976.db2.gz FFAMZGZZRUMKLP-HNNXBMFYSA-N 1 0 339.399 2.623 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2nc3ccccc3n2C)cc1 ZINC000257255433 536944612 /nfs/dbraw/zinc/94/46/12/536944612.db2.gz KHLQBMSUPHHPBV-LJQANCHMSA-N 1 0 336.439 2.728 40 0 EFABRO c1csc(CN2CCO[C@@]3(CCC[C@@H]3COc3cccnc3)C2)n1 ZINC000299843049 545774348 /nfs/dbraw/zinc/77/43/48/545774348.db2.gz LKXFVOINBWBVOP-QAPCUYQASA-N 1 0 345.468 2.988 40 0 EFABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1 ZINC000679770320 549196582 /nfs/dbraw/zinc/19/65/82/549196582.db2.gz NMEGMVZNDKPXNP-HNNXBMFYSA-N 1 0 341.459 2.624 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595766 1249167072 /nfs/dbraw/zinc/16/70/72/1249167072.db2.gz LRDRPLNKAMOYIM-YCPHGPKFSA-N 1 0 336.382 2.556 40 0 EFABRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)c1ccccc1 ZINC000118682665 1272028296 /nfs/dbraw/zinc/02/82/96/1272028296.db2.gz SZXNYMLUTIAJKC-DJIMGWMZSA-N 1 0 334.460 2.955 40 0 EFABRO NC(=O)C1(C[NH2+]Cc2ccc3oc4ccccc4c3c2)CCOCC1 ZINC000892565042 718290205 /nfs/dbraw/zinc/29/02/05/718290205.db2.gz DHEDLLOUTFYMHO-UHFFFAOYSA-N 1 0 338.407 2.958 40 0 EFABRO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984132 1099448382 /nfs/dbraw/zinc/44/83/82/1099448382.db2.gz NWHZLEQYDSCZGP-UHFFFAOYSA-N 1 0 328.368 2.899 40 0 EFABRO COc1ccc(OCCCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010279950 201796185 /nfs/dbraw/zinc/79/61/85/201796185.db2.gz LJSHBRBFUMRQQT-UHFFFAOYSA-N 1 0 334.460 2.846 40 0 EFABRO O=C(Cn1cccc2cc([C@@H]3CCC[NH2+]C3)nc1-2)N1CCCCCC1 ZINC000012234131 201834478 /nfs/dbraw/zinc/83/44/78/201834478.db2.gz JHCAVMSMDTZXTP-QGZVFWFLSA-N 1 0 340.471 2.858 40 0 EFABRO COc1cccc(OC)c1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013647903 201905818 /nfs/dbraw/zinc/90/58/18/201905818.db2.gz SJRFRNWQDKSPCX-GASCZTMLSA-N 1 0 334.460 2.802 40 0 EFABRO COc1ccc(CSCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013676397 201907979 /nfs/dbraw/zinc/90/79/79/201907979.db2.gz DZIKSQFHEPWHAR-UHFFFAOYSA-N 1 0 336.501 2.921 40 0 EFABRO C[N@@H+]1CCC[C@@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1 ZINC000003795847 210075322 /nfs/dbraw/zinc/07/53/22/210075322.db2.gz LPLNSPKKMWHFAU-CYBMUJFWSA-N 1 0 336.395 2.654 40 0 investigational EFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000019289387 202003357 /nfs/dbraw/zinc/00/33/57/202003357.db2.gz OAUDZTSYLKDNLP-HNNXBMFYSA-N 1 0 337.427 2.752 40 0 EFABRO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](CC2CC2)C1 ZINC000019331698 202003872 /nfs/dbraw/zinc/00/38/72/202003872.db2.gz BHDJNHKPILUUJP-OAQYLSRUSA-N 1 0 335.451 2.879 40 0 EFABRO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC000019346440 202005687 /nfs/dbraw/zinc/00/56/87/202005687.db2.gz SHVYXKXDYHVLOR-HTZLVSCSSA-N 1 0 348.450 2.989 40 0 EFABRO O=c1cc([C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000019405857 202006746 /nfs/dbraw/zinc/00/67/46/202006746.db2.gz CAYHPOHBXLBIEM-DOTOQJQBSA-N 1 0 336.439 2.978 40 0 EFABRO O=c1cc([C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000019405860 202007116 /nfs/dbraw/zinc/00/71/16/202007116.db2.gz CAYHPOHBXLBIEM-RDJZCZTQSA-N 1 0 336.439 2.978 40 0 EFABRO CCn1nc(C)c(CN(CCC[NH+](C)C)Cc2ccccn2)c1C ZINC000019523811 202010332 /nfs/dbraw/zinc/01/03/32/202010332.db2.gz BXPDMCOSVWYEAX-UHFFFAOYSA-N 1 0 329.492 2.869 40 0 EFABRO COc1cccc(CN2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019565444 202011862 /nfs/dbraw/zinc/01/18/62/202011862.db2.gz WZEGBWAUFWBHPV-IBGZPJMESA-N 1 0 338.455 2.858 40 0 EFABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)C1CCC1 ZINC000019583416 202012594 /nfs/dbraw/zinc/01/25/94/202012594.db2.gz UDJONTHWOBAOAT-UHFFFAOYSA-N 1 0 344.434 2.667 40 0 EFABRO Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](C[NH+](C)C)C2)c(C)c1Cl ZINC000019577496 202012937 /nfs/dbraw/zinc/01/29/37/202012937.db2.gz DWMOUHMAZSZJOJ-SWLSCSKDSA-N 1 0 340.899 2.905 40 0 EFABRO C[NH2+]C1CCC2(CC1)CN(Cc1c[nH]cn1)Cc1ccccc1O2 ZINC000019592012 202014691 /nfs/dbraw/zinc/01/46/91/202014691.db2.gz IFUIBUHZFWPTNA-UHFFFAOYSA-N 1 0 326.444 2.705 40 0 EFABRO CN(Cc1cc([C@@H]2CCC[NH2+]C2)nn1C)C(=O)CC1CCCCC1 ZINC000019709101 202016108 /nfs/dbraw/zinc/01/61/08/202016108.db2.gz VGKIHHUQBSXBCZ-MRXNPFEDSA-N 1 0 332.492 2.816 40 0 EFABRO Fc1cccnc1O[C@@H]1Cn2cccc2C[N@H+](CC2CCOCC2)C1 ZINC000247550863 283032452 /nfs/dbraw/zinc/03/24/52/283032452.db2.gz VZAGPVSLJJHIEW-KRWDZBQOSA-N 1 0 345.418 2.712 40 0 EFABRO CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000184242671 235345097 /nfs/dbraw/zinc/34/50/97/235345097.db2.gz FCAAIRZFWYLOPY-IMJJTQAJSA-N 1 0 334.464 2.638 40 0 EFABRO COc1cccc(O[C@@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000020493078 202046490 /nfs/dbraw/zinc/04/64/90/202046490.db2.gz SMZGGPJQUASUDQ-BBWFWOEESA-N 1 0 348.487 2.947 40 0 EFABRO CCOc1c(Br)cc(C[NH2+]CCN(C)C)cc1OC ZINC000022074695 202078946 /nfs/dbraw/zinc/07/89/46/202078946.db2.gz OXFGIZUUOKZMLP-UHFFFAOYSA-N 1 0 331.254 2.508 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000022327383 202083689 /nfs/dbraw/zinc/08/36/89/202083689.db2.gz WNNOYJGDMFTJSR-UHFFFAOYSA-N 1 0 344.415 2.731 40 0 EFABRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000022933460 202095148 /nfs/dbraw/zinc/09/51/48/202095148.db2.gz GSLCUNFWXAIABR-DHZHZOJOSA-N 1 0 343.515 2.751 40 0 EFABRO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000024084553 202112742 /nfs/dbraw/zinc/11/27/42/202112742.db2.gz FWWBYJNLIGHEEV-UHFFFAOYSA-N 1 0 339.439 2.834 40 0 EFABRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000040013512 202166400 /nfs/dbraw/zinc/16/64/00/202166400.db2.gz BDNZQEFXDKBMTH-AZUAARDMSA-N 1 0 336.435 2.943 40 0 EFABRO COc1ccccc1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000040119878 202173225 /nfs/dbraw/zinc/17/32/25/202173225.db2.gz AELAFQINFIBHSG-HZPDHXFCSA-N 1 0 333.476 2.862 40 0 EFABRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000031666921 202208319 /nfs/dbraw/zinc/20/83/19/202208319.db2.gz UBTSEOZFUIROJD-LJQANCHMSA-N 1 0 326.440 2.557 40 0 EFABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000031666941 202208575 /nfs/dbraw/zinc/20/85/75/202208575.db2.gz YRDDSADFFNSAGG-FQEVSTJZSA-N 1 0 340.467 2.865 40 0 EFABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000035189289 213013278 /nfs/dbraw/zinc/01/32/78/213013278.db2.gz IZWKBHMVRKCCRM-ZBLLQYKHSA-N 1 0 327.509 2.934 40 0 EFABRO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000035075011 213006606 /nfs/dbraw/zinc/00/66/06/213006606.db2.gz UUJWJBPJLSKMCI-IRXDYDNUSA-N 1 0 349.471 2.825 40 0 EFABRO COCCc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000189578659 237041697 /nfs/dbraw/zinc/04/16/97/237041697.db2.gz AXLPUDKDFOPHGJ-UHFFFAOYSA-N 1 0 329.444 2.744 40 0 EFABRO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069745172 202293140 /nfs/dbraw/zinc/29/31/40/202293140.db2.gz DTXQHRSORKXCTR-ATZDWAIDSA-N 1 0 346.446 2.500 40 0 EFABRO Cc1ccc(C)c([C@H](O)CN2CCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000036734427 202330646 /nfs/dbraw/zinc/33/06/46/202330646.db2.gz DEMMFZOWNVDXFD-UYAOXDASSA-N 1 0 332.488 2.524 40 0 EFABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000036741288 202330821 /nfs/dbraw/zinc/33/08/21/202330821.db2.gz IEXJXWCUJQTYAV-AZUAARDMSA-N 1 0 345.414 2.851 40 0 EFABRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000036734362 202331016 /nfs/dbraw/zinc/33/10/16/202331016.db2.gz JNIBHYAJTCUVJN-JKSUJKDBSA-N 1 0 336.501 2.896 40 0 EFABRO Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000071195851 202342694 /nfs/dbraw/zinc/34/26/94/202342694.db2.gz AVHQPONJYHLZHF-MRXNPFEDSA-N 1 0 342.443 2.806 40 0 EFABRO C[C@H]1CCc2ccccc2N1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000072844785 202369176 /nfs/dbraw/zinc/36/91/76/202369176.db2.gz NMMWWIOMEIEGOU-INIZCTEOSA-N 1 0 341.499 2.961 40 0 EFABRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000074160590 202374117 /nfs/dbraw/zinc/37/41/17/202374117.db2.gz JLPJSNZCSGRQRN-MOPGFXCFSA-N 1 0 345.487 2.577 40 0 EFABRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000075714699 202382595 /nfs/dbraw/zinc/38/25/95/202382595.db2.gz YYMWIOAPRCKAOB-ZDUSSCGKSA-N 1 0 330.350 2.858 40 0 EFABRO Cn1nc(C2CC[NH+](Cc3ccccc3Cl)CC2)n(C2CC2)c1=O ZINC000077154124 202383905 /nfs/dbraw/zinc/38/39/05/202383905.db2.gz SARLZFBBCPIMKA-UHFFFAOYSA-N 1 0 346.862 2.950 40 0 EFABRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccccc2Cl)cc1 ZINC000078602391 202397704 /nfs/dbraw/zinc/39/77/04/202397704.db2.gz HJBFIGYLAYOVLN-UHFFFAOYSA-N 1 0 339.844 2.912 40 0 EFABRO Cn1cc(C[NH2+]CCOc2ccc(F)c(F)c2)c(-c2cccnc2)n1 ZINC000078604188 202397764 /nfs/dbraw/zinc/39/77/64/202397764.db2.gz VUNYWCZFSOXOBQ-UHFFFAOYSA-N 1 0 344.365 2.929 40 0 EFABRO COc1ccccc1C[C@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000078656028 202398596 /nfs/dbraw/zinc/39/85/96/202398596.db2.gz MUVPLEBOSVLKNC-FUHWJXTLSA-N 1 0 330.472 2.961 40 0 EFABRO Cc1cc(Cl)ccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000076329920 202387735 /nfs/dbraw/zinc/38/77/35/202387735.db2.gz HDLJFCSSFNCPAZ-ZDUSSCGKSA-N 1 0 338.883 2.653 40 0 EFABRO CC[N@H+](CCOc1ccc2c(C)cc(=O)oc2c1)C[C@H]1CCOC1 ZINC000077314574 202391958 /nfs/dbraw/zinc/39/19/58/202391958.db2.gz GGKLOKXPHAXLHZ-OAHLLOKOSA-N 1 0 331.412 2.839 40 0 EFABRO Fc1ccc(-n2cc(C[NH2+]Cc3ccc(-n4ccnc4)nc3)cn2)cc1 ZINC000077400613 202392786 /nfs/dbraw/zinc/39/27/86/202392786.db2.gz COXNDOWQUVQRHS-UHFFFAOYSA-N 1 0 348.385 2.882 40 0 EFABRO CC(C)[N@H+](CCO)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391732 202433934 /nfs/dbraw/zinc/43/39/34/202433934.db2.gz MOIGCKVAHGYLNA-ROUUACIJSA-N 1 0 334.460 2.927 40 0 EFABRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cn1 ZINC000189576941 201048789 /nfs/dbraw/zinc/04/87/89/201048789.db2.gz DSFAAPWXVKZUJG-UHFFFAOYSA-N 1 0 342.443 2.961 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)NCCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000226752791 201038607 /nfs/dbraw/zinc/03/86/07/201038607.db2.gz QCHFRUNUBBOCPV-QZTJIDSGSA-N 1 0 326.415 2.830 40 0 EFABRO Cc1cc(NC(=O)CN2CC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)no1 ZINC000191044192 238872586 /nfs/dbraw/zinc/87/25/86/238872586.db2.gz RCALACLHHJWBRW-RDJZCZTQSA-N 1 0 346.475 2.532 40 0 EFABRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343964 201152848 /nfs/dbraw/zinc/15/28/48/201152848.db2.gz WQHOGAYPOLSXLI-UHOFOFEASA-N 1 0 340.826 2.767 40 0 EFABRO C[C@H]1CN(CC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000249268518 201180108 /nfs/dbraw/zinc/18/01/08/201180108.db2.gz IUPQPMYXKPLPMG-JKSUJKDBSA-N 1 0 349.544 2.922 40 0 EFABRO Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000252486003 201183928 /nfs/dbraw/zinc/18/39/28/201183928.db2.gz CIFBGRACDXOUCQ-DNVCBOLYSA-N 1 0 338.455 2.710 40 0 EFABRO c1nc2n(n1)CCC[C@@H]2N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584999 201184070 /nfs/dbraw/zinc/18/40/70/201184070.db2.gz FLESUZALCHSUTR-VJANTYMQSA-N 1 0 337.471 2.613 40 0 EFABRO C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000252486039 201184148 /nfs/dbraw/zinc/18/41/48/201184148.db2.gz CPOZXWSTQPAXDA-AYOQOUSVSA-N 1 0 345.487 2.631 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2n1 ZINC000252487180 201184454 /nfs/dbraw/zinc/18/44/54/201184454.db2.gz UEZXKOOTGCJAOX-RHSMWYFYSA-N 1 0 348.454 2.930 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nn1 ZINC000283060364 201329794 /nfs/dbraw/zinc/32/97/94/201329794.db2.gz JMXPHNOJVKGWKF-IRXDYDNUSA-N 1 0 331.391 2.712 40 0 EFABRO Cc1cccc(F)c1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000191620250 239215912 /nfs/dbraw/zinc/21/59/12/239215912.db2.gz VTOLQSJGALRRLD-UHFFFAOYSA-N 1 0 348.466 2.625 40 0 EFABRO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000081062081 201356491 /nfs/dbraw/zinc/35/64/91/201356491.db2.gz FRTUYZCGEIQTEV-KGLIPLIRSA-N 1 0 341.415 2.745 40 0 EFABRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](C)CC2)C(F)(F)F)cc1 ZINC000155145888 201397905 /nfs/dbraw/zinc/39/79/05/201397905.db2.gz DGYTYUKWGYRGKN-CQSZACIVSA-N 1 0 345.365 2.692 40 0 EFABRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191889660 239367567 /nfs/dbraw/zinc/36/75/67/239367567.db2.gz AEGSOODPJZHOGF-DLBZAZTESA-N 1 0 326.444 2.966 40 0 EFABRO O=C(C1CCOCC1)N1CCCC[C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]21 ZINC000257337347 283762474 /nfs/dbraw/zinc/76/24/74/283762474.db2.gz YSLHCXOFWIBDNJ-GBESFXJTSA-N 1 0 328.456 2.897 40 0 EFABRO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)c1cccs1 ZINC000023000307 212341457 /nfs/dbraw/zinc/34/14/57/212341457.db2.gz KJRHPYPCGPAVQH-UHFFFAOYSA-N 1 0 340.470 2.532 40 0 EFABRO C[C@H]([NH2+]CCN(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022790306 212325118 /nfs/dbraw/zinc/32/51/18/212325118.db2.gz JLDZHHWEZOGKGT-HNNXBMFYSA-N 1 0 327.428 2.957 40 0 EFABRO C[NH+]1CCN([C@H](CNC(=O)CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000022794517 212325133 /nfs/dbraw/zinc/32/51/33/212325133.db2.gz YFOMLWQYNPGHSG-QGZVFWFLSA-N 1 0 335.467 2.667 40 0 EFABRO C[C@@H]([NH2+]CCN(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022790313 212325004 /nfs/dbraw/zinc/32/50/04/212325004.db2.gz JLDZHHWEZOGKGT-OAHLLOKOSA-N 1 0 327.428 2.957 40 0 EFABRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC(C)(C)C(=O)NC)CCC2 ZINC000193067496 240005474 /nfs/dbraw/zinc/00/54/74/240005474.db2.gz BKQFZOBTFONJLX-GFCCVEGCSA-N 1 0 336.432 2.504 40 0 EFABRO CCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCCCC2)c1=O ZINC000022697479 212317898 /nfs/dbraw/zinc/31/78/98/212317898.db2.gz INGBKJCJNXKKRB-SFHVURJKSA-N 1 0 327.428 2.853 40 0 EFABRO Fc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(F)c1 ZINC000228936828 240234065 /nfs/dbraw/zinc/23/40/65/240234065.db2.gz NCDBCXRKURKZQT-UHFFFAOYSA-N 1 0 330.342 2.773 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)c1 ZINC000257341159 240312240 /nfs/dbraw/zinc/31/22/40/240312240.db2.gz ZJBOUIYLUDHXII-OAHLLOKOSA-N 1 0 342.443 2.985 40 0 EFABRO O[C@H]1CCCOC12CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000257228308 240313665 /nfs/dbraw/zinc/31/36/65/240313665.db2.gz FTJAOTABDIGUPU-SFHVURJKSA-N 1 0 339.439 2.650 40 0 EFABRO C[C@@H](C[NH+]1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(F)cc1 ZINC000195572813 241019140 /nfs/dbraw/zinc/01/91/40/241019140.db2.gz RYALZUCAXDIUBO-KRWDZBQOSA-N 1 0 347.478 2.559 40 0 EFABRO CC(C)[NH2+]CCNc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799581 241039471 /nfs/dbraw/zinc/03/94/71/241039471.db2.gz SNJBBOFJOZLVKQ-UHFFFAOYSA-N 1 0 342.781 2.957 40 0 EFABRO CC[NH+]1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000022030674 212272218 /nfs/dbraw/zinc/27/22/18/212272218.db2.gz YHGMGJZUNQTMDT-LXPRWKDFSA-N 1 0 326.525 2.606 40 0 EFABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C[NH3+])cc1 ZINC000218110464 241297512 /nfs/dbraw/zinc/29/75/12/241297512.db2.gz YDPRFBSUSXTTCJ-SQNIBIBYSA-N 1 0 331.437 2.518 40 0 EFABRO O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000225470437 241880887 /nfs/dbraw/zinc/88/08/87/241880887.db2.gz QXXJKZBAXZJDQX-GFCCVEGCSA-N 1 0 337.261 2.597 40 0 EFABRO COc1ccccc1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225566230 241929736 /nfs/dbraw/zinc/92/97/36/241929736.db2.gz YKFPZMNHLVSKGG-UHFFFAOYSA-N 1 0 347.459 2.708 40 0 EFABRO CCOC(=O)c1ccc(NC(=S)NC2CC[NH+](C)CC2)c(C)c1 ZINC000225800198 242041774 /nfs/dbraw/zinc/04/17/74/242041774.db2.gz BESYKDPWAVDPPV-UHFFFAOYSA-N 1 0 335.473 2.552 40 0 EFABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000225732164 242008365 /nfs/dbraw/zinc/00/83/65/242008365.db2.gz KQTXGMHKVARWNF-ZIAGYGMSSA-N 1 0 336.505 2.745 40 0 EFABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225736073 242009718 /nfs/dbraw/zinc/00/97/18/242009718.db2.gz SJUXYZBSFWSKSO-ZDUSSCGKSA-N 1 0 335.473 2.824 40 0 EFABRO Cc1cc(C)cc([C@H](O)CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000225760448 242023135 /nfs/dbraw/zinc/02/31/35/242023135.db2.gz OLFVUAXDZIFSKT-CTWPCTMYSA-N 1 0 345.487 2.653 40 0 EFABRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](c2ccsc2)O1 ZINC000230128346 242235922 /nfs/dbraw/zinc/23/59/22/242235922.db2.gz GQCYJVWDMBUWCW-MXASKKJJSA-N 1 0 349.500 2.846 40 0 EFABRO CC(C)[NH2+]C[C@H](O)CO[C@@H]1c2ccccc2C(=O)N1c1ccccc1 ZINC000001846388 201521065 /nfs/dbraw/zinc/52/10/65/201521065.db2.gz KUHVZVZAYMLXGA-OXJNMPFZSA-N 1 0 340.423 2.721 40 0 in-man EFABRO O=C(NCc1cccs1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473244 284010705 /nfs/dbraw/zinc/01/07/05/284010705.db2.gz PDHKFAMJVPKFIP-CQSZACIVSA-N 1 0 339.530 2.861 40 0 EFABRO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccs2)C1 ZINC000096041272 284010766 /nfs/dbraw/zinc/01/07/66/284010766.db2.gz IAMYBYOGFYLVJO-IAOVAPTHSA-N 1 0 346.452 2.637 40 0 EFABRO Cn1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000242191451 243013368 /nfs/dbraw/zinc/01/33/68/243013368.db2.gz XFPBVVPQXKOPMB-MRXNPFEDSA-N 1 0 338.377 2.803 40 0 EFABRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302072 243014630 /nfs/dbraw/zinc/01/46/30/243014630.db2.gz YPHVWFDQBHHXSO-SJORKVTESA-N 1 0 340.423 2.522 40 0 EFABRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302071 243015931 /nfs/dbraw/zinc/01/59/31/243015931.db2.gz YPHVWFDQBHHXSO-IRXDYDNUSA-N 1 0 340.423 2.522 40 0 EFABRO O=C([C@H]1CC[NH2+]C1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000153356879 296124634 /nfs/dbraw/zinc/12/46/34/296124634.db2.gz ADEKDESWGLRTFH-ZFWWWQNUSA-N 1 0 337.261 2.592 40 0 EFABRO CC[C@H](CSc1ccccc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000090778453 203017796 /nfs/dbraw/zinc/01/77/96/203017796.db2.gz VRXIHZGJEWDMNL-CQSZACIVSA-N 1 0 342.530 2.571 40 0 EFABRO CC[C@@H](CO)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000091262460 203073747 /nfs/dbraw/zinc/07/37/47/203073747.db2.gz AOEBXVUWZUOOOL-AWEZNQCLSA-N 1 0 341.293 2.774 40 0 EFABRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1nccs1 ZINC000091727187 203075042 /nfs/dbraw/zinc/07/50/42/203075042.db2.gz JEHZMIAFPJEELT-SKDRFNHKSA-N 1 0 340.832 2.952 40 0 EFABRO Clc1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc1 ZINC000253430236 243978996 /nfs/dbraw/zinc/97/89/96/243978996.db2.gz KGLDGINWJSJOAV-UHFFFAOYSA-N 1 0 336.852 2.675 40 0 EFABRO COc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(OC)c1 ZINC000092055469 203078208 /nfs/dbraw/zinc/07/82/08/203078208.db2.gz PFLPWYSNWBSSHZ-UHFFFAOYSA-N 1 0 346.471 2.928 40 0 EFABRO Cn1cc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257206173 244133546 /nfs/dbraw/zinc/13/35/46/244133546.db2.gz BCEHDEMYZMXGHZ-INIZCTEOSA-N 1 0 325.412 2.857 40 0 EFABRO CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)c1C ZINC000257206926 244137272 /nfs/dbraw/zinc/13/72/72/244137272.db2.gz BFMWJFDHFMOPHN-NQUFMGSDSA-N 1 0 330.476 2.758 40 0 EFABRO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3sccc3C)CCN2C)c1 ZINC000257200476 244118083 /nfs/dbraw/zinc/11/80/83/244118083.db2.gz ADMYPVTVWSARLK-QGZVFWFLSA-N 1 0 343.496 2.905 40 0 EFABRO COc1ccc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCC[N@@H+]3C)cc1 ZINC000257209165 244143030 /nfs/dbraw/zinc/14/30/30/244143030.db2.gz BPGOABOGCSELMM-QZTJIDSGSA-N 1 0 331.460 2.582 40 0 EFABRO Cc1noc(C)c1-c1cc(C2CC[NH+](CC(=O)N(C)C)CC2)ccn1 ZINC000257209249 244143409 /nfs/dbraw/zinc/14/34/09/244143409.db2.gz BPPSGOZHDJOZMF-UHFFFAOYSA-N 1 0 342.443 2.621 40 0 EFABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257208616 244144422 /nfs/dbraw/zinc/14/44/22/244144422.db2.gz BMWNIPNIUJTYOX-HNNXBMFYSA-N 1 0 325.412 2.857 40 0 EFABRO C[C@]1(COc2ccccc2)C[C@@H]2C[N@H+](Cc3cc[nH]n3)CC[C@@H]2O1 ZINC000257216322 244167640 /nfs/dbraw/zinc/16/76/40/244167640.db2.gz CTZSSLAFBMGUIZ-AYOQOUSVSA-N 1 0 327.428 2.858 40 0 EFABRO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000257223159 244191199 /nfs/dbraw/zinc/19/11/99/244191199.db2.gz DWECFYZURXIPJM-KRWDZBQOSA-N 1 0 341.459 2.689 40 0 EFABRO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257222854 244192509 /nfs/dbraw/zinc/19/25/09/244192509.db2.gz DUXKFEORDBMEAT-FQEVSTJZSA-N 1 0 349.438 2.931 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)[nH+]1 ZINC000257226728 244200448 /nfs/dbraw/zinc/20/04/48/244200448.db2.gz FLWDPDHWNJNTBD-LJQANCHMSA-N 1 0 337.423 2.675 40 0 EFABRO OCCOc1cccc(C[NH+]2CCC(Cc3ccncc3)CC2)c1 ZINC000257226899 244204524 /nfs/dbraw/zinc/20/45/24/244204524.db2.gz FMQVQAYFWROGIJ-UHFFFAOYSA-N 1 0 326.440 2.907 40 0 EFABRO COc1ncc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257230245 244209484 /nfs/dbraw/zinc/20/94/84/244209484.db2.gz GBLITLVGXNRNII-VQFNDLOPSA-N 1 0 325.412 2.775 40 0 EFABRO C[NH+]1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2N)CC1 ZINC000072229072 203184293 /nfs/dbraw/zinc/18/42/93/203184293.db2.gz ZOKOSESTXSXWDL-UHFFFAOYSA-N 1 0 344.846 2.926 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)[nH+]1 ZINC000257218979 244178401 /nfs/dbraw/zinc/17/84/01/244178401.db2.gz DFCHCJKWEPRGFF-SFHVURJKSA-N 1 0 343.402 2.809 40 0 EFABRO c1cnc(Nc2cc(C3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)cn1 ZINC000257220450 244181360 /nfs/dbraw/zinc/18/13/60/244181360.db2.gz DKWOUIAILSYZIO-MRXNPFEDSA-N 1 0 325.416 2.584 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)[nH+]1 ZINC000257219983 244181517 /nfs/dbraw/zinc/18/15/17/244181517.db2.gz DJBLDKXEVNRKIB-QGZVFWFLSA-N 1 0 329.375 2.633 40 0 EFABRO CC(C)c1nccn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257243502 244250875 /nfs/dbraw/zinc/25/08/75/244250875.db2.gz IHIAFFKPWXDYJX-KRWDZBQOSA-N 1 0 326.444 2.570 40 0 EFABRO Cc1nc(C(=O)NCCc2ccccc2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072382872 203210970 /nfs/dbraw/zinc/21/09/70/203210970.db2.gz TYCYVENPMYITSH-KRWDZBQOSA-N 1 0 338.455 2.567 40 0 EFABRO c1cc(C[N@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)ccn1 ZINC000072387308 203212258 /nfs/dbraw/zinc/21/22/58/203212258.db2.gz KJXFSHCDGBJWSF-GOSISDBHSA-N 1 0 337.471 2.927 40 0 EFABRO Cc1nc(C[NH+](C)C)cc([C@H]2CCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072387978 203212544 /nfs/dbraw/zinc/21/25/44/203212544.db2.gz IQGDKRKXUVGWNQ-GOSISDBHSA-N 1 0 342.418 2.502 40 0 EFABRO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360363 203204547 /nfs/dbraw/zinc/20/45/47/203204547.db2.gz OFVAOTCBTIVOMY-INIZCTEOSA-N 1 0 340.431 2.635 40 0 EFABRO Cc1cncc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257239521 244239620 /nfs/dbraw/zinc/23/96/20/244239620.db2.gz HPSLIXMOFGQZLF-MRXNPFEDSA-N 1 0 325.412 2.936 40 0 EFABRO Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@@H+]3C)cn1 ZINC000257240104 244242568 /nfs/dbraw/zinc/24/25/68/244242568.db2.gz HSBYMEXRWCCZNN-GBESFXJTSA-N 1 0 338.455 2.860 40 0 EFABRO Cc1cc(CCC(=O)Nc2nncs2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360561 203206374 /nfs/dbraw/zinc/20/63/74/203206374.db2.gz LAJRBETZWGHTIK-AWEZNQCLSA-N 1 0 331.445 2.580 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072362872 203206553 /nfs/dbraw/zinc/20/65/53/203206553.db2.gz BHQXQAPTMOEHEA-OAHLLOKOSA-N 1 0 340.427 2.537 40 0 EFABRO NC(=O)CCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)n1 ZINC000072360825 203206649 /nfs/dbraw/zinc/20/66/49/203206649.db2.gz OJCHSVWETBMLQX-SFHVURJKSA-N 1 0 327.403 2.976 40 0 EFABRO O=C(CCc1cccc(C2CC[NH2+]CC2)n1)Nc1ccc2n[nH]cc2c1 ZINC000072366909 203208126 /nfs/dbraw/zinc/20/81/26/203208126.db2.gz MKCUHQOGFZSMCR-UHFFFAOYSA-N 1 0 349.438 2.996 40 0 EFABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CC2(O)CCCCC2)n1 ZINC000257246061 244259039 /nfs/dbraw/zinc/25/90/39/244259039.db2.gz ISGSIVFAAAGHMZ-SFHVURJKSA-N 1 0 331.460 2.550 40 0 EFABRO Cc1ncc(-c2cncc(C3CC[NH+](Cc4cccnc4)CC3)n2)n1C ZINC000257247413 244259813 /nfs/dbraw/zinc/25/98/13/244259813.db2.gz IYYDSDFZLIFYHK-UHFFFAOYSA-N 1 0 348.454 2.960 40 0 EFABRO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000257251143 244267526 /nfs/dbraw/zinc/26/75/26/244267526.db2.gz JPOOLRJCKNBZJN-FQEVSTJZSA-N 1 0 338.455 2.882 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccco3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392888 203212822 /nfs/dbraw/zinc/21/28/22/203212822.db2.gz NMBOUQXGZNCFJL-HNNXBMFYSA-N 1 0 336.395 2.805 40 0 EFABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[NH2+]C1 ZINC000072391927 203213581 /nfs/dbraw/zinc/21/35/81/203213581.db2.gz DYASRGBJQMZALF-HXUWFJFHSA-N 1 0 338.455 2.581 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1 ZINC000072390927 203213645 /nfs/dbraw/zinc/21/36/45/203213645.db2.gz RKLVOYCZARZNHG-INIZCTEOSA-N 1 0 342.487 2.751 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393209 203213696 /nfs/dbraw/zinc/21/36/96/203213696.db2.gz SZWCZLYNNAXGKF-INIZCTEOSA-N 1 0 347.422 2.607 40 0 EFABRO Cc1cccc(CCNC(=O)c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000257253901 244275676 /nfs/dbraw/zinc/27/56/76/244275676.db2.gz KASYUSKWCUJFTK-QGZVFWFLSA-N 1 0 338.455 2.567 40 0 EFABRO Cc1oc2c(c1C(=O)N(C)[C@@H]1CC[C@@H]([NH+]3CCCC3)[C@@H]1O)CCCC2 ZINC000257253398 244275769 /nfs/dbraw/zinc/27/57/69/244275769.db2.gz JYTWDKMSGGVKAH-GPMSIDNRSA-N 1 0 346.471 2.527 40 0 EFABRO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257255401 244282950 /nfs/dbraw/zinc/28/29/50/244282950.db2.gz KHHVRZPMFXYHLI-GOSISDBHSA-N 1 0 338.455 2.753 40 0 EFABRO Cc1ncsc1C(=O)N1CCC[C@@H](c2cc3c[nH+]cn3c(C)n2)C1 ZINC000257258543 244290597 /nfs/dbraw/zinc/29/05/97/244290597.db2.gz KULDPGUKBXRVSQ-CYBMUJFWSA-N 1 0 341.440 2.822 40 0 EFABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257265335 244359186 /nfs/dbraw/zinc/35/91/86/244359186.db2.gz LYGXNVGGHHZBCC-HNNXBMFYSA-N 1 0 334.427 2.950 40 0 EFABRO Cc1nc(C)c(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)s1 ZINC000257269353 244370094 /nfs/dbraw/zinc/37/00/94/244370094.db2.gz MPPMKPROXKQJEL-JXSMBQFASA-N 1 0 333.501 2.824 40 0 EFABRO O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257269331 244370489 /nfs/dbraw/zinc/37/04/89/244370489.db2.gz MPNDLZABXMNBHX-QGTPRVQTSA-N 1 0 332.419 2.537 40 0 EFABRO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cc1 ZINC000257269436 244370534 /nfs/dbraw/zinc/37/05/34/244370534.db2.gz MPXQLJITHYGTPQ-QGZVFWFLSA-N 1 0 325.416 2.744 40 0 EFABRO Cc1nc(-c2nccn2C)cc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000257270836 244376711 /nfs/dbraw/zinc/37/67/11/244376711.db2.gz MVVWXEHSCLSNFA-UHFFFAOYSA-N 1 0 348.454 2.960 40 0 EFABRO O=C(CCc1cccs1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257265164 244357761 /nfs/dbraw/zinc/35/77/61/244357761.db2.gz LXOVLBVCFOTKBC-JFIYKMOQSA-N 1 0 336.501 2.565 40 0 EFABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cc1CO ZINC000257273603 244385080 /nfs/dbraw/zinc/38/50/80/244385080.db2.gz NHJAJXXFUUUMAJ-INIZCTEOSA-N 1 0 327.428 2.747 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)[nH+]1 ZINC000257274800 244387823 /nfs/dbraw/zinc/38/78/23/244387823.db2.gz NMRVUPVHJVXVMM-SFHVURJKSA-N 1 0 343.402 2.644 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257274176 244389157 /nfs/dbraw/zinc/38/91/57/244389157.db2.gz NJWKJZBQNWMLNL-CYBMUJFWSA-N 1 0 340.456 2.696 40 0 EFABRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257277269 244396338 /nfs/dbraw/zinc/39/63/38/244396338.db2.gz NXDYVRSZCGOKHJ-RTBURBONSA-N 1 0 347.434 2.580 40 0 EFABRO C[C@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000019913975 212084001 /nfs/dbraw/zinc/08/40/01/212084001.db2.gz BUXKCOXPBUKEKR-FUHWJXTLSA-N 1 0 336.501 2.713 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2cnc(CC3CC[NH+](C)CC3)cn2)s1 ZINC000257293661 244442700 /nfs/dbraw/zinc/44/27/00/244442700.db2.gz QQPPJVQFWAHZRX-UHFFFAOYSA-N 1 0 345.472 2.751 40 0 EFABRO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130208662 203552107 /nfs/dbraw/zinc/55/21/07/203552107.db2.gz HRMZKYLWIOJKFA-AEFFLSMTSA-N 1 0 335.467 2.986 40 0 EFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079410215 284193857 /nfs/dbraw/zinc/19/38/57/284193857.db2.gz MEELSOBURCLVDH-KKUMJFAQSA-N 1 0 341.496 2.654 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000133237981 203697550 /nfs/dbraw/zinc/69/75/50/203697550.db2.gz TXCAQCWYCXTJIA-NRXISQOPSA-N 1 0 337.414 2.580 40 0 EFABRO CC(=O)NC1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000132717554 203685733 /nfs/dbraw/zinc/68/57/33/203685733.db2.gz XSJZBNPYUYMFJU-LBXVMSDZSA-N 1 0 344.455 2.946 40 0 EFABRO CN(C)C(=O)[C@@H]1OC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096058368 203815089 /nfs/dbraw/zinc/81/50/89/203815089.db2.gz HXSMQKWWHJLXII-GOSISDBHSA-N 1 0 340.423 2.930 40 0 EFABRO Cc1cnc(C(=O)N2CCC3(CCC[N@@H+]3CC3CCC3)CC2)cn1 ZINC000096063191 203816425 /nfs/dbraw/zinc/81/64/25/203816425.db2.gz NYDSLYZGKDVKDK-UHFFFAOYSA-N 1 0 328.460 2.656 40 0 EFABRO O=C(c1cnccn1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096062868 203816435 /nfs/dbraw/zinc/81/64/35/203816435.db2.gz DKUNJVYOIREIKI-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO C[NH+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000096075455 203826573 /nfs/dbraw/zinc/82/65/73/203826573.db2.gz NHDXFJIPSKJPMB-MGPUTAFESA-N 1 0 341.455 2.741 40 0 EFABRO Cc1ccoc1C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCCC1)O2 ZINC000096209591 203868453 /nfs/dbraw/zinc/86/84/53/203868453.db2.gz HVQCPLNHVSQUTB-VQIMIIECSA-N 1 0 332.444 2.838 40 0 EFABRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CC[NH+](C1CCC1)CC2 ZINC000096217317 203871953 /nfs/dbraw/zinc/87/19/53/203871953.db2.gz FCCZYALUSAWUGZ-KRWDZBQOSA-N 1 0 345.487 2.521 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccccn3)CC2)N1Cc1cccnc1 ZINC000096228155 203877115 /nfs/dbraw/zinc/87/71/15/203877115.db2.gz PGPNJNOOTNIIOI-UHFFFAOYSA-N 1 0 336.439 2.634 40 0 EFABRO CC(C)[NH+]1CCC2(CC1)c1ccccc1N(C[C@@H]1CCCO1)C2=O ZINC000096241405 203881365 /nfs/dbraw/zinc/88/13/65/203881365.db2.gz KMINQQRNDMBALK-INIZCTEOSA-N 1 0 328.456 2.954 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3O)cc2)CC1 ZINC000041667168 204053833 /nfs/dbraw/zinc/05/38/33/204053833.db2.gz RKLHXINZCHSSKH-UHFFFAOYSA-N 1 0 339.439 2.782 40 0 EFABRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 ZINC000107203569 204227595 /nfs/dbraw/zinc/22/75/95/204227595.db2.gz OIPBYZNALQWJKJ-QYZOEREBSA-N 1 0 328.460 2.850 40 0 EFABRO Fc1cnc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000107226567 204227973 /nfs/dbraw/zinc/22/79/73/204227973.db2.gz BSMISWUCEVVFHF-CZUORRHYSA-N 1 0 334.420 2.523 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000107226089 204228100 /nfs/dbraw/zinc/22/81/00/204228100.db2.gz KNKFMFCBSKUHJW-QAPCUYQASA-N 1 0 328.416 2.532 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000107730606 204244854 /nfs/dbraw/zinc/24/48/54/204244854.db2.gz MJCZYAHKRRAABW-MOPGFXCFSA-N 1 0 325.412 2.679 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107787674 204247938 /nfs/dbraw/zinc/24/79/38/204247938.db2.gz NXQJJXWQEMDRAY-RHSMWYFYSA-N 1 0 330.457 2.774 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000108531090 204265203 /nfs/dbraw/zinc/26/52/03/204265203.db2.gz BFHLDJFMYZFNKP-SJLPKXTDSA-N 1 0 349.425 2.988 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC3(CC(NC(=O)c4ccncc4)C3)C2)n1 ZINC000108527208 204266197 /nfs/dbraw/zinc/26/61/97/204266197.db2.gz DAKCOIFXZYOHHA-UHFFFAOYSA-N 1 0 336.439 2.570 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108526615 204266275 /nfs/dbraw/zinc/26/62/75/204266275.db2.gz YKCLXSDABQWLJA-FXAWDEMLSA-N 1 0 343.471 2.936 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108534814 204266931 /nfs/dbraw/zinc/26/69/31/204266931.db2.gz DMIYSAKEXNHGTC-YJBOKZPZSA-N 1 0 333.501 2.970 40 0 EFABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108536535 204267017 /nfs/dbraw/zinc/26/70/17/204267017.db2.gz CAWRHIMPIGMXPX-XLIONFOSSA-N 1 0 343.471 2.705 40 0 EFABRO COC(=O)c1cccc(NC(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000048326322 204345521 /nfs/dbraw/zinc/34/55/21/204345521.db2.gz ROLXWCJCGWNFIX-KBPBESRZSA-N 1 0 333.432 2.573 40 0 EFABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCOCC2)Cc2c[nH]c3cccc1c23 ZINC000049171412 204369562 /nfs/dbraw/zinc/36/95/62/204369562.db2.gz SJWANCJQDNJPGS-ROUUACIJSA-N 1 0 341.455 2.628 40 0 biogenic,in-vitro EFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)CC1 ZINC000049169385 204369919 /nfs/dbraw/zinc/36/99/19/204369919.db2.gz QJHSISMUAUQKGE-INIZCTEOSA-N 1 0 340.427 2.537 40 0 biogenic,in-vitro EFABRO Cc1c(Cl)cccc1N1C(=O)C[C@H]([NH2+]CCCOC(C)C)C1=O ZINC000017084930 211953910 /nfs/dbraw/zinc/95/39/10/211953910.db2.gz GHOKCLBBOZOKHU-AWEZNQCLSA-N 1 0 338.835 2.685 40 0 EFABRO CC(C)n1nccc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000129747050 205209149 /nfs/dbraw/zinc/20/91/49/205209149.db2.gz KBPCWJGEJSJPLM-UHFFFAOYSA-N 1 0 330.432 2.794 40 0 EFABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)NC1CC1 ZINC000008623606 205854251 /nfs/dbraw/zinc/85/42/51/205854251.db2.gz JOOVJFWYSPHSCL-HOTGVXAUSA-N 1 0 339.439 2.779 40 0 biogenic,in-vitro EFABRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103265433 206398613 /nfs/dbraw/zinc/39/86/13/206398613.db2.gz KNUMYPWPQPYLBT-IIAWOOMASA-N 1 0 329.444 2.625 40 0 EFABRO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000012420202 211374644 /nfs/dbraw/zinc/37/46/44/211374644.db2.gz WSYOLZVNRJITHS-ZOBUZTSGSA-N 1 0 337.460 2.844 40 0 EFABRO CC1(C)CC(NC(=O)COc2ccc3c(c2)CCC3)CC(C)(C)[NH2+]1 ZINC000010812591 206763497 /nfs/dbraw/zinc/76/34/97/206763497.db2.gz BCYLYJROXWWBMT-UHFFFAOYSA-N 1 0 330.472 2.980 40 0 EFABRO O=C(NC1CCCCCCC1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000095399567 218333061 /nfs/dbraw/zinc/33/30/61/218333061.db2.gz FETNRGULOLSKJY-UHFFFAOYSA-N 1 0 337.508 2.996 40 0 EFABRO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1csc(C2CC2)n1 ZINC000095405332 218341538 /nfs/dbraw/zinc/34/15/38/218341538.db2.gz XVFZDNCMTWDMQB-BNOWGMLFSA-N 1 0 334.489 2.960 40 0 EFABRO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000095413133 218350867 /nfs/dbraw/zinc/35/08/67/218350867.db2.gz RJVHIQUVZLCGJI-CYBMUJFWSA-N 1 0 341.440 2.642 40 0 EFABRO Cc1c(C(=O)Nc2cccc3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000095427939 218370367 /nfs/dbraw/zinc/37/03/67/218370367.db2.gz APRGWJSSEREVAE-UHFFFAOYSA-N 1 0 335.411 2.917 40 0 EFABRO C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000095421324 218363212 /nfs/dbraw/zinc/36/32/12/218363212.db2.gz VSYUIROFCKOOBU-YGRLFVJLSA-N 1 0 327.306 2.759 40 0 EFABRO Cc1cc([C@@](C)(O)C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423153 218364966 /nfs/dbraw/zinc/36/49/66/218364966.db2.gz AOHFCWQZFRMTTR-LIRRHRJNSA-N 1 0 336.476 2.875 40 0 EFABRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000095432453 218374674 /nfs/dbraw/zinc/37/46/74/218374674.db2.gz QRUAEJIJZNADSQ-MRXNPFEDSA-N 1 0 330.407 2.897 40 0 EFABRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)c1ccccc1Br ZINC000095433520 218375760 /nfs/dbraw/zinc/37/57/60/218375760.db2.gz ZDYJBHPNMUHTJP-OAHLLOKOSA-N 1 0 338.249 2.738 40 0 EFABRO C[C@@H](C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCSCC1 ZINC000095435613 218377813 /nfs/dbraw/zinc/37/78/13/218377813.db2.gz CKAAUSZZOWAVHS-BQFCYCMXSA-N 1 0 348.512 2.708 40 0 EFABRO C[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1cccnc1 ZINC000174826604 207062720 /nfs/dbraw/zinc/06/27/20/207062720.db2.gz GBZFCWMFLYGHII-HNNXBMFYSA-N 1 0 327.428 2.901 40 0 EFABRO CC(C)(C)n1cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cn1 ZINC000449418437 251019598 /nfs/dbraw/zinc/01/95/98/251019598.db2.gz CWKJJEWQNUCWET-PKOBYXMFSA-N 1 0 331.435 2.938 40 0 EFABRO CC(C)c1cc(C(=O)NCCC[NH+](C)C)nc(N2CCCCCC2)n1 ZINC000096192618 218662030 /nfs/dbraw/zinc/66/20/30/218662030.db2.gz VZKGPWAHYVGIJQ-UHFFFAOYSA-N 1 0 347.507 2.662 40 0 EFABRO COc1ccc(OC)c2[nH]c(=O)c(C[NH2+]CCc3ccccc3)cc12 ZINC000013566702 207469629 /nfs/dbraw/zinc/46/96/29/207469629.db2.gz DVWXLPJPFCDGMR-UHFFFAOYSA-N 1 0 338.407 2.878 40 0 EFABRO COCC[NH+]1CCC2(C[C@@H](N3CCOCC3)c3cc(C)ccc32)CC1 ZINC000096241777 285014129 /nfs/dbraw/zinc/01/41/29/285014129.db2.gz AMBDXJMHGMOLNZ-HXUWFJFHSA-N 1 0 344.499 2.752 40 0 EFABRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000096479203 218855762 /nfs/dbraw/zinc/85/57/62/218855762.db2.gz HFDUKILSUCOKPK-GFCCVEGCSA-N 1 0 326.404 2.551 40 0 EFABRO CC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000097101189 218953028 /nfs/dbraw/zinc/95/30/28/218953028.db2.gz TZRFSOGPVRLHSS-INIZCTEOSA-N 1 0 344.459 2.985 40 0 EFABRO CCOc1cccc(CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000097234383 219002274 /nfs/dbraw/zinc/00/22/74/219002274.db2.gz GMNGTXJUZDIFNE-MJGOQNOKSA-N 1 0 345.487 2.754 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000097371069 219016774 /nfs/dbraw/zinc/01/67/74/219016774.db2.gz YOANHQOXIRNYQC-RDTXWAMCSA-N 1 0 338.448 2.866 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000097371065 219016782 /nfs/dbraw/zinc/01/67/82/219016782.db2.gz YOANHQOXIRNYQC-KSSFIOAISA-N 1 0 338.448 2.866 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2ccnn2C)cc1 ZINC000097375032 219018231 /nfs/dbraw/zinc/01/82/31/219018231.db2.gz JLPXCJJTARMXNG-MSOLQXFVSA-N 1 0 347.484 2.603 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCn2ccnc2)cc1 ZINC000097375022 219018309 /nfs/dbraw/zinc/01/83/09/219018309.db2.gz KOOADZUSHYLTKD-ZWKOTPCHSA-N 1 0 347.484 2.566 40 0 EFABRO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2ccc(F)cc2)cs1 ZINC000248059446 257667265 /nfs/dbraw/zinc/66/72/65/257667265.db2.gz VCNBNXNEPOLCSS-SJORKVTESA-N 1 0 345.443 2.966 40 0 EFABRO O=C([C@@H]1CCC[C@@]12CC[N@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788345 257788571 /nfs/dbraw/zinc/78/85/71/257788571.db2.gz LIOKTPLQXGBAPI-RDJZCZTQSA-N 1 0 335.398 2.551 40 0 EFABRO C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)S2(=O)=O ZINC000306140385 257923808 /nfs/dbraw/zinc/92/38/08/257923808.db2.gz URQYEDDTCTXTLD-UHFFFAOYSA-N 1 0 342.464 2.958 40 0 EFABRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189677838 533402328 /nfs/dbraw/zinc/40/23/28/533402328.db2.gz DYTBBKBSDBXCNU-DOTOQJQBSA-N 1 0 332.444 2.976 40 0 EFABRO O=C(C[NH2+]CC1CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311488 132389676 /nfs/dbraw/zinc/38/96/76/132389676.db2.gz NXGJEIHVPRVMFE-UHFFFAOYSA-N 1 0 331.460 2.632 40 0 EFABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC000072342503 286260518 /nfs/dbraw/zinc/26/05/18/286260518.db2.gz UXNDEHDRRIRVTP-XJKSGUPXSA-N 1 0 332.444 2.634 40 0 EFABRO C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486765 544558930 /nfs/dbraw/zinc/55/89/30/544558930.db2.gz QOTLJDDOOGQCBJ-XHDPSFHLSA-N 1 0 326.799 2.553 40 0 EFABRO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000165987621 544850452 /nfs/dbraw/zinc/85/04/52/544850452.db2.gz JUWPOKPFGZZUSL-OAHLLOKOSA-N 1 0 325.416 2.756 40 0 EFABRO CC[NH+]1CCN(c2nc(-c3ccc4ccccc4c3)cc(=O)[nH]2)CC1 ZINC000014162235 262503471 /nfs/dbraw/zinc/50/34/71/262503471.db2.gz CVXDTXIBHBTBTG-UHFFFAOYSA-N 1 0 334.423 2.732 40 0 EFABRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000281073787 273397975 /nfs/dbraw/zinc/39/79/75/273397975.db2.gz TYROQWVKWWUKLH-STQMWFEESA-N 1 0 331.865 2.664 40 0 EFABRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000281073783 273397979 /nfs/dbraw/zinc/39/79/79/273397979.db2.gz TYROQWVKWWUKLH-OLZOCXBDSA-N 1 0 331.865 2.664 40 0 EFABRO CC(C)C[NH+]1CCC2(CC1)c1cc(C(=O)NC(C)C)ccc1NC2=O ZINC000101849055 273511337 /nfs/dbraw/zinc/51/13/37/273511337.db2.gz OQVPOMVNROCLPI-UHFFFAOYSA-N 1 0 343.471 2.767 40 0 EFABRO CN1c2ccc(F)cc2C2(CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000104998117 273943180 /nfs/dbraw/zinc/94/31/80/273943180.db2.gz TURMOKOLAJDVOV-UHFFFAOYSA-N 1 0 325.387 2.731 40 0 EFABRO CO[C@H]1CCN(Cc2ccsc2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109482 274081006 /nfs/dbraw/zinc/08/10/06/274081006.db2.gz FCVPLHBAZSKJQU-OTWHNJEPSA-N 1 0 343.496 2.864 40 0 EFABRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](c2ccsc2)O1 ZINC000096469916 274326436 /nfs/dbraw/zinc/32/64/36/274326436.db2.gz GQCYJVWDMBUWCW-MWQQHZPXSA-N 1 0 349.500 2.846 40 0 EFABRO Cc1ccc2c(c1)OC1(CC[NH+](CCC(N)=O)CC1)[C@H]1CCCO[C@H]21 ZINC000257305211 274772636 /nfs/dbraw/zinc/77/26/36/274772636.db2.gz SOXPSRSBXRFYND-QFBILLFUSA-N 1 0 344.455 2.565 40 0 EFABRO CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112764 275494746 /nfs/dbraw/zinc/49/47/46/275494746.db2.gz LXOKITUMRQWMEE-INIZCTEOSA-N 1 0 342.443 2.988 40 0 biogenic,in-vitro EFABRO CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC[NH2+]CC1 ZINC000012156659 276426032 /nfs/dbraw/zinc/42/60/32/276426032.db2.gz FJNYVHRSQFPDHX-HNNXBMFYSA-N 1 0 334.391 2.642 40 0 EFABRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000245316729 277155421 /nfs/dbraw/zinc/15/54/21/277155421.db2.gz KJZIICMAGKMOKZ-SOLBZPMBSA-N 1 0 343.471 2.678 40 0 EFABRO CNC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC000257233063 277255803 /nfs/dbraw/zinc/25/58/03/277255803.db2.gz GNOUCPWVGXSCLH-MRXNPFEDSA-N 1 0 338.455 2.681 40 0 EFABRO CC(C)(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)[nH]n1 ZINC000257278392 277264568 /nfs/dbraw/zinc/26/45/68/277264568.db2.gz OCBJMXZFCZEJIW-SJMGXHDFSA-N 1 0 330.476 2.842 40 0 EFABRO COCC[NH+]1CCC2(CC1)C[C@H](NC(=O)C(C)C)c1ccccc1O2 ZINC000096242758 277515014 /nfs/dbraw/zinc/51/50/14/277515014.db2.gz LIBOQYXAXITUGW-KRWDZBQOSA-N 1 0 346.471 2.763 40 0 EFABRO COCCn1cc(C(=O)N2CCC[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000019582068 277558090 /nfs/dbraw/zinc/55/80/90/277558090.db2.gz ZIBXDJMIWQWYLZ-MRXNPFEDSA-N 1 0 343.471 2.702 40 0 EFABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccoc1)CC2 ZINC000096240379 277574224 /nfs/dbraw/zinc/57/42/24/277574224.db2.gz FKHUBGBNUNXBIT-KRWDZBQOSA-N 1 0 342.443 2.577 40 0 EFABRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c(=O)[nH]1 ZINC000257247925 278024637 /nfs/dbraw/zinc/02/46/37/278024637.db2.gz JBEQCDTYISIFFA-KRWDZBQOSA-N 1 0 325.412 2.697 40 0 EFABRO COc1ccccc1CN1Cc2ccnn2[C@@H](C[NH+]2CCCC2)C1 ZINC000248145026 278049741 /nfs/dbraw/zinc/04/97/41/278049741.db2.gz RXPBJZZBXURYQN-SFHVURJKSA-N 1 0 326.444 2.544 40 0 EFABRO C[C@H]1CCCN(c2ccnc3cc(Br)cnc32)[C@H]1C[NH3+] ZINC000252857677 278344364 /nfs/dbraw/zinc/34/43/64/278344364.db2.gz IKXUHGKTMLNPDL-HZMBPMFUSA-N 1 0 335.249 2.956 40 0 EFABRO CC[NH+](CC)C[C@H]1CCCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000019526356 279134487 /nfs/dbraw/zinc/13/44/87/279134487.db2.gz LUXQCFWWJSRPII-QGZVFWFLSA-N 1 0 331.508 2.631 40 0 EFABRO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000032502463 280062474 /nfs/dbraw/zinc/06/24/74/280062474.db2.gz AFNUIVPQFXGZRD-QGZVFWFLSA-N 1 0 342.443 2.640 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391459 280271297 /nfs/dbraw/zinc/27/12/97/280271297.db2.gz XSNGYMXHIHQXME-GJZGRUSLSA-N 1 0 341.496 2.606 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](N(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410274 280272202 /nfs/dbraw/zinc/27/22/02/280272202.db2.gz FSVSGRVRPQLVRX-CABCVRRESA-N 1 0 341.496 2.606 40 0 EFABRO Cc1cc(C(=O)N2Cc3ccnn3[C@@H](C[NH+]3CCCC3)C2)sc1C ZINC000253599555 280345487 /nfs/dbraw/zinc/34/54/87/280345487.db2.gz RDALTSKJNZGRTB-INIZCTEOSA-N 1 0 344.484 2.854 40 0 EFABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000108524204 281959449 /nfs/dbraw/zinc/95/94/49/281959449.db2.gz CPUYFKBQRFBULB-IAGOWNOFSA-N 1 0 335.492 2.628 40 0 EFABRO C[C@H](NCc1cscn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078553295 289983084 /nfs/dbraw/zinc/98/30/84/289983084.db2.gz QGQWBWHBIFPRKZ-ZDUSSCGKSA-N 1 0 334.464 2.885 40 0 EFABRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N(C)C ZINC000078046885 290241998 /nfs/dbraw/zinc/24/19/98/290241998.db2.gz NMLGGAGOHLYIFH-CQSZACIVSA-N 1 0 347.484 2.593 40 0 EFABRO Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)cc3c[nH+]cn32)cn1 ZINC000257244899 302331946 /nfs/dbraw/zinc/33/19/46/302331946.db2.gz INHBTTDLYROQSX-MRXNPFEDSA-N 1 0 336.399 2.504 40 0 EFABRO Cc1nn(C[C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)c1C ZINC000019556869 302806180 /nfs/dbraw/zinc/80/61/80/302806180.db2.gz GYBBRLXAZXFZSV-CABCVRRESA-N 1 0 334.508 2.825 40 0 EFABRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000332079213 311451687 /nfs/dbraw/zinc/45/16/87/311451687.db2.gz YNGWRKJMJAEFRL-IJLUTSLNSA-N 1 0 327.350 2.660 40 0 EFABRO CCn1c2cc(Br)ccc2nc1NC(=O)C[NH2+]C1CC1 ZINC000095467127 441933023 /nfs/dbraw/zinc/93/30/23/441933023.db2.gz TYBMSHXBXPNEKJ-UHFFFAOYSA-N 1 0 337.221 2.509 40 0 EFABRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2C(C)(C)O)c1 ZINC000097375950 323214917 /nfs/dbraw/zinc/21/49/17/323214917.db2.gz IBEOEHAEOZGPQX-KRWDZBQOSA-N 1 0 333.476 2.583 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1F ZINC000097378547 323214935 /nfs/dbraw/zinc/21/49/35/323214935.db2.gz WICHRNNXTMPHDM-SJLPKXTDSA-N 1 0 349.450 2.644 40 0 EFABRO CC(=O)NC1CCC([NH2+]Cc2cccnc2OC2CCCC2)CC1 ZINC000132522400 323219288 /nfs/dbraw/zinc/21/92/88/323219288.db2.gz NALMJSZGPPSUST-UHFFFAOYSA-N 1 0 331.460 2.940 40 0 EFABRO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cs1 ZINC000133470268 323219453 /nfs/dbraw/zinc/21/94/53/323219453.db2.gz XOZVDVREVKNUHQ-HZPDHXFCSA-N 1 0 329.469 2.858 40 0 EFABRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2c3ccccc3-c3ccccc32)O1 ZINC000183925274 323351175 /nfs/dbraw/zinc/35/11/75/323351175.db2.gz KNURNTONXDISPG-AUUYWEPGSA-N 1 0 336.435 2.982 40 0 EFABRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000189502882 323447854 /nfs/dbraw/zinc/44/78/54/323447854.db2.gz ZBQUWXVVDYQYBW-BZUAXINKSA-N 1 0 336.505 2.569 40 0 EFABRO COC(=O)c1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000390833694 323780072 /nfs/dbraw/zinc/78/00/72/323780072.db2.gz LNOGOSPJQWWSLT-UHFFFAOYSA-N 1 0 325.364 2.981 40 0 EFABRO N#[N+][N-]c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000095472068 473210262 /nfs/dbraw/zinc/21/02/62/473210262.db2.gz OEGUCIGLBNMUHO-UHFFFAOYSA-O 1 0 337.407 2.656 40 0 EFABRO COc1cccc(NCCc2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534871 473224011 /nfs/dbraw/zinc/22/40/11/473224011.db2.gz RZMMSCAPKCQUHT-KRWDZBQOSA-N 1 0 337.427 2.710 40 0 EFABRO Cc1cc(Br)cc(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000124275877 473226588 /nfs/dbraw/zinc/22/65/88/473226588.db2.gz IBNFHIAPUBATRX-UHFFFAOYSA-N 1 0 325.250 2.924 40 0 EFABRO c1cncc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039990 473259802 /nfs/dbraw/zinc/25/98/02/473259802.db2.gz TUKOXHNVZJMZNW-WOJBJXKFSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040254 473262410 /nfs/dbraw/zinc/26/24/10/473262410.db2.gz KFKDUGIPYWWTAH-UXHICEINSA-N 1 0 346.471 2.648 40 0 EFABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCCC3)C[C@H]21 ZINC000096043374 473265413 /nfs/dbraw/zinc/26/54/13/473265413.db2.gz DQKVFECPBGTEMO-FGTMMUONSA-N 1 0 329.444 2.690 40 0 EFABRO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@H+](CC1CCCC1)C2 ZINC000096044998 473266492 /nfs/dbraw/zinc/26/64/92/473266492.db2.gz RXURDYWOBFJINM-SFHVURJKSA-N 1 0 347.503 2.953 40 0 EFABRO Cc1cccc(C(=O)N2CC3(C2)CC[N@H+](Cc2ccsc2)C3)n1 ZINC000096046495 473266982 /nfs/dbraw/zinc/26/69/82/473266982.db2.gz UXSFALDMVLIXEP-UHFFFAOYSA-N 1 0 327.453 2.800 40 0 EFABRO O=C(c1ccccn1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046518 473267582 /nfs/dbraw/zinc/26/75/82/473267582.db2.gz ARQKBVYCYMTKHY-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000096046662 473267961 /nfs/dbraw/zinc/26/79/61/473267961.db2.gz WHFPHUBIUYIVPY-UHFFFAOYSA-N 1 0 325.412 2.803 40 0 EFABRO O=c1[nH]ncc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1Cl ZINC000142823316 473268172 /nfs/dbraw/zinc/26/81/72/473268172.db2.gz HZYHRYKOMFTELP-LLVKDONJSA-N 1 0 338.864 2.809 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)o1 ZINC000096047638 473268759 /nfs/dbraw/zinc/26/87/59/473268759.db2.gz CEUJYYKUQVHSDF-KSSFIOAISA-N 1 0 331.391 2.968 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)s1 ZINC000096047421 473268809 /nfs/dbraw/zinc/26/88/09/473268809.db2.gz UZVQSBZWXJWAAV-INIZCTEOSA-N 1 0 342.530 2.837 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cn1 ZINC000096047011 473269299 /nfs/dbraw/zinc/26/92/99/473269299.db2.gz FNGWZFIWXMICTM-GOSISDBHSA-N 1 0 344.484 2.610 40 0 EFABRO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000096048599 473270690 /nfs/dbraw/zinc/27/06/90/473270690.db2.gz CCTBFLIAOOSLLU-QFBILLFUSA-N 1 0 342.443 2.638 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048561 473271418 /nfs/dbraw/zinc/27/14/18/473271418.db2.gz ZSUPZBRVNNTAMD-PKOBYXMFSA-N 1 0 327.428 2.888 40 0 EFABRO c1cncc(O[C@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096048282 473272519 /nfs/dbraw/zinc/27/25/19/473272519.db2.gz HQMFHDUGDMPZQL-RTBURBONSA-N 1 0 332.444 2.511 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3cccnc3)CC2)N1Cc1cccnc1 ZINC000096049380 473273096 /nfs/dbraw/zinc/27/30/96/473273096.db2.gz BTUJJURMIRDDFO-UHFFFAOYSA-N 1 0 336.439 2.634 40 0 EFABRO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000096050500 473273147 /nfs/dbraw/zinc/27/31/47/473273147.db2.gz YGMOTNAAZOLNDH-GOSISDBHSA-N 1 0 327.453 2.768 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049541 473273288 /nfs/dbraw/zinc/27/32/88/473273288.db2.gz NKCJUSHIGMYRGO-IBGZPJMESA-N 1 0 327.428 2.794 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)o1 ZINC000096050213 473273326 /nfs/dbraw/zinc/27/33/26/473273326.db2.gz PUFZJZAAHMGRBA-HXUWFJFHSA-N 1 0 339.439 2.511 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccoc3)CC2)N1Cc1ccncc1 ZINC000096049391 473274300 /nfs/dbraw/zinc/27/43/00/473274300.db2.gz ARKNKCUEFLYHEK-UHFFFAOYSA-N 1 0 325.412 2.832 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)o1 ZINC000096050946 473275622 /nfs/dbraw/zinc/27/56/22/473275622.db2.gz FSWFVKBKQBPBDO-IBGZPJMESA-N 1 0 343.427 2.817 40 0 EFABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2ccccn2)CC3)c1 ZINC000096051701 473275902 /nfs/dbraw/zinc/27/59/02/473275902.db2.gz GIRWBRRBESUHSE-SFHVURJKSA-N 1 0 338.455 2.595 40 0 EFABRO Cc1cccc(C(=O)N2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000096053889 473276161 /nfs/dbraw/zinc/27/61/61/473276161.db2.gz HRFYXYRLECEFNU-IAGOWNOFSA-N 1 0 339.414 2.733 40 0 EFABRO Cc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)s1 ZINC000096053932 473276311 /nfs/dbraw/zinc/27/63/11/473276311.db2.gz GEXLIMJDIPTMLO-STQMWFEESA-N 1 0 333.482 2.717 40 0 EFABRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cn1 ZINC000096051145 473276544 /nfs/dbraw/zinc/27/65/44/473276544.db2.gz NZLOFNMMUHBNHB-QGZVFWFLSA-N 1 0 347.413 2.553 40 0 EFABRO Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000096053888 473276881 /nfs/dbraw/zinc/27/68/81/473276881.db2.gz HRFYXYRLECEFNU-CALCHBBNSA-N 1 0 339.414 2.733 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000096055037 473278379 /nfs/dbraw/zinc/27/83/79/473278379.db2.gz GESCCDCBNGHGCD-QZTJIDSGSA-N 1 0 343.496 2.927 40 0 EFABRO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4nccs4)CC[N@@H+]3C2)c1 ZINC000096055147 473279824 /nfs/dbraw/zinc/27/98/24/473279824.db2.gz QGRWLWBWGURQKP-HOCLYGCPSA-N 1 0 333.432 2.620 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)o1 ZINC000096057375 473280215 /nfs/dbraw/zinc/28/02/15/473280215.db2.gz MIIRXTYHHRXXHY-KURKYZTESA-N 1 0 344.411 2.619 40 0 EFABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096056050 473280349 /nfs/dbraw/zinc/28/03/49/473280349.db2.gz KUKFCYPRPAKHHT-PXNSSMCTSA-N 1 0 343.471 2.573 40 0 EFABRO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281785 /nfs/dbraw/zinc/28/17/85/473281785.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 1 0 341.455 2.644 40 0 EFABRO O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO[C@H]12 ZINC000096057124 473281932 /nfs/dbraw/zinc/28/19/32/473281932.db2.gz SJJFLMXTIIGRQK-HQRMLTQVSA-N 1 0 346.446 2.721 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096057072 473282039 /nfs/dbraw/zinc/28/20/39/473282039.db2.gz PAEYRUOOJLVMPW-UYAOXDASSA-N 1 0 339.439 2.927 40 0 EFABRO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccoc3)O2)CC1 ZINC000096057536 473282061 /nfs/dbraw/zinc/28/20/61/473282061.db2.gz CJWLNCVBWJUKCC-KZNAEPCWSA-N 1 0 332.444 2.660 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096058149 473282139 /nfs/dbraw/zinc/28/21/39/473282139.db2.gz NLYMCPYFXQXZEI-IPMKNSEASA-N 1 0 328.412 2.932 40 0 EFABRO CCOC[C@H]1C[N@H+](CC2CCOCC2)Cc2cn(CC3CC3)nc21 ZINC000096059979 473282874 /nfs/dbraw/zinc/28/28/74/473282874.db2.gz QSCGKVRVWDNXTM-GOSISDBHSA-N 1 0 333.476 2.655 40 0 EFABRO O=C([C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096061226 473285310 /nfs/dbraw/zinc/28/53/10/473285310.db2.gz WTDPSBGZVSDKBX-MRXNPFEDSA-N 1 0 334.485 2.884 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096062463 473285769 /nfs/dbraw/zinc/28/57/69/473285769.db2.gz NQSIMQOPOROGTG-IBGZPJMESA-N 1 0 327.428 2.712 40 0 EFABRO O=C([C@H]1CCC2(CC[NH+](Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096061222 473285998 /nfs/dbraw/zinc/28/59/98/473285998.db2.gz NZMHQILWNBBZFM-MRXNPFEDSA-N 1 0 334.485 2.884 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096066302 473287642 /nfs/dbraw/zinc/28/76/42/473287642.db2.gz ALRQYZZNVUXDRB-XKQJLSEDSA-N 1 0 343.452 2.761 40 0 EFABRO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](C1CCOCC1)C2 ZINC000096069239 473289652 /nfs/dbraw/zinc/28/96/52/473289652.db2.gz QGLIBOXZXOZKSJ-UHFFFAOYSA-N 1 0 338.455 2.786 40 0 EFABRO c1csc(N[C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)n1 ZINC000096074231 473290547 /nfs/dbraw/zinc/29/05/47/473290547.db2.gz MVPKIJXHCOHKAA-OAHLLOKOSA-N 1 0 330.457 2.774 40 0 EFABRO CC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096076485 473291096 /nfs/dbraw/zinc/29/10/96/473291096.db2.gz IWSNRABRJOUOJT-HXUWFJFHSA-N 1 0 341.455 2.742 40 0 EFABRO c1c[nH]c(C[NH+]2CCC3(CC2)COCCN(c2nccs2)C3)c1 ZINC000096078264 473291778 /nfs/dbraw/zinc/29/17/78/473291778.db2.gz DKZNOBNPFYRRKZ-UHFFFAOYSA-N 1 0 332.473 2.590 40 0 EFABRO Fc1ccc(-c2ncnc3c2CCN(CC[NH+]2CCCC2)CC3)cc1 ZINC000096083983 473292754 /nfs/dbraw/zinc/29/27/54/473292754.db2.gz ZQFCJHUGAHLLLU-UHFFFAOYSA-N 1 0 340.446 2.779 40 0 EFABRO O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096088528 473293494 /nfs/dbraw/zinc/29/34/94/473293494.db2.gz BVAXPTQQSDKWOF-UHFFFAOYSA-N 1 0 336.435 2.948 40 0 EFABRO Cn1cnc(C(=O)N2CCC[C@]23CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000096071385 473290061 /nfs/dbraw/zinc/29/00/61/473290061.db2.gz JBPRACVMAXKYGQ-FQEVSTJZSA-N 1 0 338.455 2.691 40 0 EFABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000096100335 473295523 /nfs/dbraw/zinc/29/55/23/473295523.db2.gz LONSGYSJFKQVQX-OAQYLSRUSA-N 1 0 333.435 2.982 40 0 EFABRO O=C(c1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096100631 473296211 /nfs/dbraw/zinc/29/62/11/473296211.db2.gz PJELPJGNAAIYBB-FQEVSTJZSA-N 1 0 336.439 2.605 40 0 EFABRO c1ccc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)nc1 ZINC000096106086 473298483 /nfs/dbraw/zinc/29/84/83/473298483.db2.gz YVBXEUPVLZRRTE-LJQANCHMSA-N 1 0 339.439 2.927 40 0 EFABRO c1cncc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106690 473299163 /nfs/dbraw/zinc/29/91/63/473299163.db2.gz JHNMBTWXQRIAHG-IBGZPJMESA-N 1 0 346.471 2.648 40 0 EFABRO Cc1ccccc1CCC(=O)N1CC[C@]2(C1)C[C@@H]([NH+](C)C)CCO2 ZINC000096107865 473299800 /nfs/dbraw/zinc/29/98/00/473299800.db2.gz KKSDGENBSBXWBX-AZUAARDMSA-N 1 0 330.472 2.639 40 0 EFABRO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096107332 473300636 /nfs/dbraw/zinc/30/06/36/473300636.db2.gz ZYRRSLACTMKSED-UXHICEINSA-N 1 0 339.439 2.817 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300867 /nfs/dbraw/zinc/30/08/67/473300867.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 1 0 343.496 2.784 40 0 EFABRO Fc1ccccc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108127 473300934 /nfs/dbraw/zinc/30/09/34/473300934.db2.gz WQCZDFWLJQEDOJ-AZUAARDMSA-N 1 0 341.430 2.554 40 0 EFABRO CO[C@H]1CCN(Cc2ccc(C)o2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109460 473301926 /nfs/dbraw/zinc/30/19/26/473301926.db2.gz TXGUSPBJKYSCER-ZCNNSNEGSA-N 1 0 341.455 2.704 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)o1 ZINC000096108867 473302046 /nfs/dbraw/zinc/30/20/46/473302046.db2.gz FWRCWEGBLLZJDN-IEBWSBKVSA-N 1 0 328.412 2.648 40 0 EFABRO Cc1ncsc1CN1C[C@@H]2C[N@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302245 /nfs/dbraw/zinc/30/22/45/473302245.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 1 0 349.525 2.846 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108456 473302851 /nfs/dbraw/zinc/30/28/51/473302851.db2.gz JQDZRBFAGZAAQM-KDOFPFPSSA-N 1 0 346.452 2.528 40 0 EFABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccncc2)C3)cs1 ZINC000096108911 473302875 /nfs/dbraw/zinc/30/28/75/473302875.db2.gz QPWYDWQSYHPYOE-AEFFLSMTSA-N 1 0 345.468 2.512 40 0 EFABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)nc1 ZINC000096110825 473303416 /nfs/dbraw/zinc/30/34/16/473303416.db2.gz VTLYGWSKXUTPFK-LJQANCHMSA-N 1 0 339.439 2.817 40 0 EFABRO CO[C@@H]1CCN(CCOCc2ccccc2)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096110990 473304262 /nfs/dbraw/zinc/30/42/62/473304262.db2.gz JOLPXJFSGVJLEK-PWRODBHTSA-N 1 0 344.499 2.634 40 0 EFABRO O=C(c1cnccn1)N1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC000096157442 473316990 /nfs/dbraw/zinc/31/69/90/473316990.db2.gz ONWHASBKVWGDEI-UHFFFAOYSA-N 1 0 342.468 2.666 40 0 EFABRO CCc1nc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccn23)cs1 ZINC000096154812 473317007 /nfs/dbraw/zinc/31/70/07/473317007.db2.gz ZLIUUASCTMCYHB-UHFFFAOYSA-N 1 0 342.468 2.917 40 0 EFABRO C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096158714 473317635 /nfs/dbraw/zinc/31/76/35/473317635.db2.gz RWTLZMRBEPHMGV-HNNXBMFYSA-N 1 0 344.484 2.798 40 0 EFABRO COCC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000096158423 473317746 /nfs/dbraw/zinc/31/77/46/473317746.db2.gz NZLGLSUQTVDUOF-UHFFFAOYSA-N 1 0 346.471 2.546 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096158147 473317908 /nfs/dbraw/zinc/31/79/08/473317908.db2.gz YVRDXDVJPXFRBG-FQEVSTJZSA-N 1 0 336.439 2.605 40 0 EFABRO Fc1cnc(N2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC000096158306 473318459 /nfs/dbraw/zinc/31/84/59/473318459.db2.gz XFCAVVSOSQIWBB-SFHVURJKSA-N 1 0 327.407 2.503 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096159659 473319287 /nfs/dbraw/zinc/31/92/87/473319287.db2.gz DOVXFUYXEADFLK-HXUWFJFHSA-N 1 0 339.414 2.845 40 0 EFABRO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2cccc(F)c2)cs1 ZINC000096184048 473326146 /nfs/dbraw/zinc/32/61/46/473326146.db2.gz ILRMXVRWKKRPMX-SJORKVTESA-N 1 0 345.443 2.966 40 0 EFABRO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000096184648 473326963 /nfs/dbraw/zinc/32/69/63/473326963.db2.gz JJIGBXOELUTUPK-ZWKOTPCHSA-N 1 0 325.387 2.710 40 0 EFABRO O=C(NC[C@H]1OC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21)c1ccco1 ZINC000096185311 473327914 /nfs/dbraw/zinc/32/79/14/473327914.db2.gz NKTLFCKGBVIICB-YQQAZPJKSA-N 1 0 346.452 2.608 40 0 EFABRO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096187273 473328706 /nfs/dbraw/zinc/32/87/06/473328706.db2.gz QWJAQYOLNGDKKJ-BRWVUGGUSA-N 1 0 346.452 2.779 40 0 EFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)N1Cc1cccnc1 ZINC000096186342 473328826 /nfs/dbraw/zinc/32/88/26/473328826.db2.gz FJBZQSVTHWAFKW-IRXDYDNUSA-N 1 0 327.453 2.909 40 0 EFABRO Cn1cc(C[N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)cn1 ZINC000096187645 473329125 /nfs/dbraw/zinc/32/91/25/473329125.db2.gz GCDZRKWSZRZLJK-UHFFFAOYSA-N 1 0 337.402 2.617 40 0 EFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2)N1CC1CCOCC1 ZINC000096186330 473329613 /nfs/dbraw/zinc/32/96/13/473329613.db2.gz KQXAQJOPGSIRFF-OALUTQOASA-N 1 0 328.456 2.679 40 0 EFABRO C[NH+](C)CCOCc1cncc2c1CCN(Cc1cccs1)C2 ZINC000096189335 473331135 /nfs/dbraw/zinc/33/11/35/473331135.db2.gz CHRLAZLYSBBWFH-UHFFFAOYSA-N 1 0 331.485 2.780 40 0 EFABRO c1csc(COCc2cncc3c2CC[N@H+](C[C@H]2CCOC2)C3)n1 ZINC000096189426 473331318 /nfs/dbraw/zinc/33/13/18/473331318.db2.gz IUVHFGHPQSGNCZ-CQSZACIVSA-N 1 0 345.468 2.650 40 0 EFABRO CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096189520 473331352 /nfs/dbraw/zinc/33/13/52/473331352.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 1 0 341.455 2.701 40 0 EFABRO COCCO[C@@H]1CC[N@H+](Cc2ccc(C)s2)[C@H]1Cc1cnn(C)c1 ZINC000096200216 473335210 /nfs/dbraw/zinc/33/52/10/473335210.db2.gz OVBFLGAHHBCJEM-ZWKOTPCHSA-N 1 0 349.500 2.639 40 0 EFABRO Cc1noc(C)c1C[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200690 473335937 /nfs/dbraw/zinc/33/59/37/473335937.db2.gz VZMGANSVGIMEBY-OALUTQOASA-N 1 0 344.459 2.637 40 0 EFABRO Cc1noc(C)c1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200253 473336143 /nfs/dbraw/zinc/33/61/43/473336143.db2.gz VZMGANSVGIMEBY-RBUKOAKNSA-N 1 0 344.459 2.637 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)o1 ZINC000096199706 473336300 /nfs/dbraw/zinc/33/63/00/473336300.db2.gz HSQJWCOPLIYFRR-GOSISDBHSA-N 1 0 339.439 2.875 40 0 EFABRO Cc1cccc(C[N@@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096202247 473337030 /nfs/dbraw/zinc/33/70/30/473337030.db2.gz BOTPYAIURMYQPX-HXUWFJFHSA-N 1 0 338.455 2.514 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096202302 473339075 /nfs/dbraw/zinc/33/90/75/473339075.db2.gz QLOTZQPMBFTXSR-SFHVURJKSA-N 1 0 344.484 2.575 40 0 EFABRO c1cc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096202099 473338356 /nfs/dbraw/zinc/33/83/56/473338356.db2.gz GOFIWLHKZLSECT-LJQANCHMSA-N 1 0 343.496 2.868 40 0 EFABRO Fc1ccc(CN2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202041 473338765 /nfs/dbraw/zinc/33/87/65/473338765.db2.gz IKOZMKMLIKDVEA-HXUWFJFHSA-N 1 0 348.462 2.529 40 0 EFABRO Cc1cccc(CN2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202063 473338942 /nfs/dbraw/zinc/33/89/42/473338942.db2.gz AODHKFAVVHBZCC-OAQYLSRUSA-N 1 0 344.499 2.698 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000096207740 473343012 /nfs/dbraw/zinc/34/30/12/473343012.db2.gz UXWTYZXMGHMDDS-NFAHFFEMSA-N 1 0 334.485 2.721 40 0 EFABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000096206573 473339913 /nfs/dbraw/zinc/33/99/13/473339913.db2.gz PJUDSEMJGUDPFT-AZUAARDMSA-N 1 0 328.456 2.645 40 0 EFABRO c1cc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)co1 ZINC000096206498 473340515 /nfs/dbraw/zinc/34/05/15/473340515.db2.gz NEIRNDPGHBGDCD-SFHVURJKSA-N 1 0 335.444 2.846 40 0 EFABRO c1coc(C[NH+]2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)c1 ZINC000096216671 473348650 /nfs/dbraw/zinc/34/86/50/473348650.db2.gz FPTDFSAKXGLJOX-MRXNPFEDSA-N 1 0 343.427 2.767 40 0 EFABRO c1cc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)ccn1 ZINC000096209341 473344042 /nfs/dbraw/zinc/34/40/42/473344042.db2.gz JZJBXUOYSIJMPJ-PMACEKPBSA-N 1 0 339.439 2.817 40 0 EFABRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccsc4)CCO[C@@H]3C2)n1 ZINC000096209723 473344251 /nfs/dbraw/zinc/34/42/51/473344251.db2.gz QMVPVCNGNPNXDD-PKOBYXMFSA-N 1 0 343.496 2.784 40 0 EFABRO CO[C@@H]1CCN(Cc2ccsc2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096208825 473344311 /nfs/dbraw/zinc/34/43/11/473344311.db2.gz KOCLSUVSOXBCNR-IPMKNSEASA-N 1 0 343.496 2.864 40 0 EFABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21)N1CCCC1 ZINC000096208336 473344430 /nfs/dbraw/zinc/34/44/30/473344430.db2.gz ZMVACJKZOQNMGG-ZACQAIPSSA-N 1 0 334.485 2.598 40 0 EFABRO c1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)nc1 ZINC000096208387 473345778 /nfs/dbraw/zinc/34/57/78/473345778.db2.gz VGLLHGVAJIKWBW-QUCCMNQESA-N 1 0 338.455 2.960 40 0 EFABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCC1 ZINC000096209325 473345808 /nfs/dbraw/zinc/34/58/08/473345808.db2.gz XLIFRYPYZXPAGC-AZUAARDMSA-N 1 0 343.471 2.616 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccnc2)C1 ZINC000096214900 473346196 /nfs/dbraw/zinc/34/61/96/473346196.db2.gz VRQWZIQBWLJYRX-FQEVSTJZSA-N 1 0 338.455 2.691 40 0 EFABRO COC[C@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000096215856 473346552 /nfs/dbraw/zinc/34/65/52/473346552.db2.gz XRYRVQAQANXRSG-TZIWHRDSSA-N 1 0 338.451 2.880 40 0 EFABRO CN(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216490 473347342 /nfs/dbraw/zinc/34/73/42/473347342.db2.gz NFVRGRDFZLZWDN-IBGZPJMESA-N 1 0 331.460 2.535 40 0 EFABRO Cc1cccc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC000096209766 473347978 /nfs/dbraw/zinc/34/79/78/473347978.db2.gz NVOIZOWVZIMJKW-TZIWHRDSSA-N 1 0 342.483 2.816 40 0 EFABRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)c1 ZINC000096217783 473349961 /nfs/dbraw/zinc/34/99/61/473349961.db2.gz PVFACTBLBWVHRN-NSHGMRRFSA-N 1 0 340.423 2.901 40 0 EFABRO Cc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219495 473351299 /nfs/dbraw/zinc/35/12/99/473351299.db2.gz DAJPQBWOAQOSTH-RHSMWYFYSA-N 1 0 330.457 2.692 40 0 EFABRO O=C(c1ccccc1)N1CC2(C[C@H]1COCC1CC1)CC[NH2+]CC2 ZINC000096220576 473353968 /nfs/dbraw/zinc/35/39/68/473353968.db2.gz RYDHQPZVZSZCRU-SFHVURJKSA-N 1 0 328.456 2.698 40 0 EFABRO Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cncn2C)C3)c1 ZINC000096222745 473354769 /nfs/dbraw/zinc/35/47/69/473354769.db2.gz GABAZHLYABIGGI-UYAOXDASSA-N 1 0 340.471 2.964 40 0 EFABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096224627 473355493 /nfs/dbraw/zinc/35/54/93/473355493.db2.gz XHKYNXVXRRAJFD-QGZVFWFLSA-N 1 0 330.457 2.501 40 0 EFABRO Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cncn2C)C3)c1 ZINC000096222753 473356074 /nfs/dbraw/zinc/35/60/74/473356074.db2.gz GABAZHLYABIGGI-ICSRJNTNSA-N 1 0 340.471 2.964 40 0 EFABRO Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222720 473356255 /nfs/dbraw/zinc/35/62/55/473356255.db2.gz ONWHCLWEPSRFDZ-WOJBJXKFSA-N 1 0 340.471 2.964 40 0 EFABRO O=C(Nc1cccnc1)C1=NO[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC000096226047 473356991 /nfs/dbraw/zinc/35/69/91/473356991.db2.gz DSPZUUUFGCXVBM-IBGZPJMESA-N 1 0 342.443 2.821 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)cc1C ZINC000096225468 473357440 /nfs/dbraw/zinc/35/74/40/473357440.db2.gz QVFOXQFYUFSDIU-FQEVSTJZSA-N 1 0 343.471 2.796 40 0 EFABRO CC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228867 473358997 /nfs/dbraw/zinc/35/89/97/473358997.db2.gz VBDZNRPKWPJAEK-FQEVSTJZSA-N 1 0 341.455 2.742 40 0 EFABRO O=C(c1ccsc1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228813 473359573 /nfs/dbraw/zinc/35/95/73/473359573.db2.gz WOMYHRHNPXDNNX-GOSISDBHSA-N 1 0 334.485 2.713 40 0 EFABRO CC(C)[NH+]1CCC2(CC1)c1ccccc1N(C[C@H]1CCCO1)C2=O ZINC000096241406 473363005 /nfs/dbraw/zinc/36/30/05/473363005.db2.gz KMINQQRNDMBALK-MRXNPFEDSA-N 1 0 328.456 2.954 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3cccnc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239054 473360597 /nfs/dbraw/zinc/36/05/97/473360597.db2.gz GXXXALWYROXTEU-LJQANCHMSA-N 1 0 343.377 2.989 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3ccncc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239056 473360616 /nfs/dbraw/zinc/36/06/16/473360616.db2.gz JSVIEJGIYMYALO-LJQANCHMSA-N 1 0 343.377 2.989 40 0 EFABRO O=C1C[C@]2(CC[N@H+](Cc3cccnc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239053 473360709 /nfs/dbraw/zinc/36/07/09/473360709.db2.gz GXXXALWYROXTEU-IBGZPJMESA-N 1 0 343.377 2.989 40 0 EFABRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244002 473362376 /nfs/dbraw/zinc/36/23/76/473362376.db2.gz HFVIAOICEFGKNA-HXUWFJFHSA-N 1 0 338.455 2.525 40 0 EFABRO Cc1nc(CN2CCO[C@H]3CC[N@H+](Cc4ccco4)CC[C@@H]32)cs1 ZINC000096249401 473365175 /nfs/dbraw/zinc/36/51/75/473365175.db2.gz RFZHUHIOIKVRKC-ROUUACIJSA-N 1 0 347.484 2.910 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)n1 ZINC000096249431 473365549 /nfs/dbraw/zinc/36/55/49/473365549.db2.gz SVYFEFFWIBHZCO-WOJBJXKFSA-N 1 0 338.455 2.655 40 0 EFABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cccnc2)C3)cc1 ZINC000096269344 473369891 /nfs/dbraw/zinc/36/98/91/473369891.db2.gz GZCQGDMAYDZIJZ-SFHVURJKSA-N 1 0 334.423 2.942 40 0 biogenic,in-vitro EFABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(OC)cc4)C[C@@H]32)C1=O ZINC000096261430 473369935 /nfs/dbraw/zinc/36/99/35/473369935.db2.gz UUDJOVCNNWVTTG-IMFGXOCKSA-N 1 0 341.455 2.556 40 0 EFABRO COc1ccc2c3c1O[C@]1(C)C(OC)=CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000096316371 473375538 /nfs/dbraw/zinc/37/55/38/473375538.db2.gz KMOSBWXKMZKJPU-XMCHAPAWSA-N 1 0 325.408 2.815 40 0 biogenic,in-vitro EFABRO O=C(NCCCCn1ccnc1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000096404842 473381294 /nfs/dbraw/zinc/38/12/94/473381294.db2.gz UXILEYBFDKXHTM-SFHVURJKSA-N 1 0 347.507 2.713 40 0 EFABRO CS(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000083984633 473379478 /nfs/dbraw/zinc/37/94/78/473379478.db2.gz DQJXLWYQLLNHEY-UHFFFAOYSA-N 1 0 346.290 2.853 40 0 EFABRO Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000096403560 473379881 /nfs/dbraw/zinc/37/98/81/473379881.db2.gz UPAXSOGRAIZYAR-CQSZACIVSA-N 1 0 347.484 2.715 40 0 EFABRO CC(C)(C[NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccc(F)cc1 ZINC000096403986 473380126 /nfs/dbraw/zinc/38/01/26/473380126.db2.gz QOAZHOXGOCLOHN-UHFFFAOYSA-N 1 0 344.434 2.520 40 0 EFABRO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000096403978 473380316 /nfs/dbraw/zinc/38/03/16/473380316.db2.gz QUGMFNYKKLINNF-CQSZACIVSA-N 1 0 335.249 2.849 40 0 EFABRO O=C(CC[NH2+]Cc1cccc2c[nH]nc21)N1CCc2sccc2C1 ZINC000084019094 473382802 /nfs/dbraw/zinc/38/28/02/473382802.db2.gz SIOISDKVNXGXES-UHFFFAOYSA-N 1 0 340.452 2.689 40 0 EFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000000251 471316928 /nfs/dbraw/zinc/31/69/28/471316928.db2.gz LMXFPUVUUSHCMM-LJQANCHMSA-N 1 0 338.451 2.523 40 0 in-man EFABRO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)no1 ZINC000000141692 471328092 /nfs/dbraw/zinc/32/80/92/471328092.db2.gz WOGMPSREJJWVSJ-UHFFFAOYSA-N 1 0 348.834 2.787 40 0 EFABRO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+](CC)CC ZINC000000294032 471343935 /nfs/dbraw/zinc/34/39/35/471343935.db2.gz NDMCTEKIPNJCQC-UHFFFAOYSA-N 1 0 335.379 2.764 40 0 EFABRO O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@@](O)(C1=CCCC1)c1ccccc1 ZINC000001641828 471394933 /nfs/dbraw/zinc/39/49/33/471394933.db2.gz HRGZDUGJXKGXRU-QUCCMNQESA-N 1 0 327.424 2.622 40 0 EFABRO Cc1nc(-[n+]2nc(-c3ccncc3)nn2-c2ccccc2)sc1C ZINC000001612709 471395615 /nfs/dbraw/zinc/39/56/15/471395615.db2.gz LKOYHAYKEOVSGZ-UHFFFAOYSA-N 1 0 335.416 2.679 40 0 EFABRO CC1CC[NH+](C[C@H](O)COc2ccccc2Br)CC1 ZINC000002696122 471417338 /nfs/dbraw/zinc/41/73/38/471417338.db2.gz BAZHRJRRYOSFAK-ZDUSSCGKSA-N 1 0 328.250 2.921 40 0 EFABRO COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1O ZINC000003847375 471455909 /nfs/dbraw/zinc/45/59/09/471455909.db2.gz PBARFBACJNHQIC-OAHLLOKOSA-N 1 0 329.396 2.848 40 0 EFABRO CC[C@@]1(C)C[C@H]([C@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1 ZINC000004025607 471458352 /nfs/dbraw/zinc/45/83/52/471458352.db2.gz RMOMIOWOQMAUHS-MDZRGWNJSA-N 1 0 337.460 2.750 40 0 EFABRO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000004305225 471462127 /nfs/dbraw/zinc/46/21/27/471462127.db2.gz RGKJDDDODPIFDE-ROUUACIJSA-N 1 0 349.471 2.627 40 0 EFABRO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000004429623 471465671 /nfs/dbraw/zinc/46/56/71/471465671.db2.gz VMXCZTWKHLYJMM-JENIJYKNSA-N 1 0 330.472 2.577 40 0 EFABRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000004969053 471481508 /nfs/dbraw/zinc/48/15/08/471481508.db2.gz HNTWGRBLQRTXAK-FGTMMUONSA-N 1 0 335.536 2.830 40 0 EFABRO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073477 471485705 /nfs/dbraw/zinc/48/57/05/471485705.db2.gz FCYDSJVNZCQEOT-KBAYOESNSA-N 1 0 343.423 2.555 40 0 EFABRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(=O)OCC ZINC000005385407 471502349 /nfs/dbraw/zinc/50/23/49/471502349.db2.gz JALPQYLINKUOPW-SYMSYNOKSA-N 1 0 325.449 2.820 40 0 EFABRO CC(C)/C=C/[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000005440248 471505301 /nfs/dbraw/zinc/50/53/01/471505301.db2.gz LFEGCLWKAFYJIE-FFQNAWCLSA-N 1 0 329.440 2.724 40 0 EFABRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000005979236 471527756 /nfs/dbraw/zinc/52/77/56/471527756.db2.gz QMPRZTOISHUQTC-UHFFFAOYSA-N 1 0 332.897 2.967 40 0 EFABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000006922336 471578550 /nfs/dbraw/zinc/57/85/50/471578550.db2.gz IKABFWDQUNRTJA-OAHLLOKOSA-N 1 0 331.412 2.635 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCCCCC1 ZINC000007222095 471599403 /nfs/dbraw/zinc/59/94/03/471599403.db2.gz NKOYSXFXXHQOBQ-INIZCTEOSA-N 1 0 331.460 2.726 40 0 EFABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CC3)o2)c1 ZINC000007540713 471620924 /nfs/dbraw/zinc/62/09/24/471620924.db2.gz OGFOBNFRAIVMEX-UHFFFAOYSA-N 1 0 329.352 2.772 40 0 EFABRO NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH2+]C1CCCC1 ZINC000008038416 471657042 /nfs/dbraw/zinc/65/70/42/471657042.db2.gz ZVYVRPWNEZMKPF-UHFFFAOYSA-N 1 0 343.452 2.985 40 0 EFABRO CCOc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCC(N)=O ZINC000008253746 471675023 /nfs/dbraw/zinc/67/50/23/471675023.db2.gz GZYLFDJQLNDXLX-UHFFFAOYSA-N 1 0 326.824 2.635 40 0 EFABRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)CO[C@@H]1CCC[C@@H]1C)CC2 ZINC000010434949 471735708 /nfs/dbraw/zinc/73/57/08/471735708.db2.gz HZKWJLGDBRNGQP-BMGDILEWSA-N 1 0 349.471 2.628 40 0 EFABRO COc1ccc2c(c1)OCC([C@H]1NC(=[NH2+])Nc3nc4ccccc4n31)=C2 ZINC000011035659 471746127 /nfs/dbraw/zinc/74/61/27/471746127.db2.gz PJNGRJOZLNKVED-KRWDZBQOSA-N 1 0 347.378 2.969 40 0 EFABRO O=C1NC[C@]2(CCC[N@H+](CCc3ccccc3)C2)Oc2ccccc21 ZINC000012086790 471763925 /nfs/dbraw/zinc/76/39/25/471763925.db2.gz RBEJOPKINPIWEV-NRFANRHFSA-N 1 0 336.435 2.886 40 0 EFABRO Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000012142285 471766104 /nfs/dbraw/zinc/76/61/04/471766104.db2.gz QGFQTSUMQAUSNB-KRWDZBQOSA-N 1 0 338.390 2.539 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000012147446 471766450 /nfs/dbraw/zinc/76/64/50/471766450.db2.gz KURVMZXVMYRTKZ-GASCZTMLSA-N 1 0 341.459 2.570 40 0 EFABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[NH2+]C1 ZINC000012157379 471766920 /nfs/dbraw/zinc/76/69/20/471766920.db2.gz HROBTYJZQSTEFW-SCLBCKFNSA-N 1 0 334.391 2.642 40 0 EFABRO CC1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000012181044 471767601 /nfs/dbraw/zinc/76/76/01/471767601.db2.gz CXEQDEYROKSWSL-LJQANCHMSA-N 1 0 328.456 2.751 40 0 EFABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000012188271 471767673 /nfs/dbraw/zinc/76/76/73/471767673.db2.gz YWCYSIFSTOUEPW-HXUWFJFHSA-N 1 0 338.451 2.847 40 0 EFABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000012239781 471769437 /nfs/dbraw/zinc/76/94/37/471769437.db2.gz JQHRPLQCKSVCPG-KRWDZBQOSA-N 1 0 346.471 2.771 40 0 EFABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292458 471770188 /nfs/dbraw/zinc/77/01/88/471770188.db2.gz PVTATJMUURQHFF-IBGZPJMESA-N 1 0 345.414 2.851 40 0 EFABRO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)[C@@H]1CC=CCC1 ZINC000012326063 471772095 /nfs/dbraw/zinc/77/20/95/471772095.db2.gz VURIZMCJUWSYEY-MRXNPFEDSA-N 1 0 346.446 2.582 40 0 EFABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012327763 471772497 /nfs/dbraw/zinc/77/24/97/471772497.db2.gz LYPAUJAVJMFIOB-SFHVURJKSA-N 1 0 345.414 2.851 40 0 EFABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012327751 471772521 /nfs/dbraw/zinc/77/25/21/471772521.db2.gz GFESFKXHXLJVNM-GOSISDBHSA-N 1 0 333.378 2.982 40 0 EFABRO C=Cn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c(C)n1 ZINC000012344382 471773399 /nfs/dbraw/zinc/77/33/99/471773399.db2.gz NRBWUSJAZRKNRZ-UHFFFAOYSA-N 1 0 327.428 2.784 40 0 EFABRO C[C@]12C[N@H+](CCc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000012366427 471773469 /nfs/dbraw/zinc/77/34/69/471773469.db2.gz ZIOFEKFTFVWGAO-NQIIRXRSSA-N 1 0 334.419 2.546 40 0 EFABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc(O)cc4)C3)cc(N)n2n1 ZINC000012667337 471788717 /nfs/dbraw/zinc/78/87/17/471788717.db2.gz AJSMCEJNMHBPKG-OAHLLOKOSA-N 1 0 337.427 2.705 40 0 EFABRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000015184132 471891959 /nfs/dbraw/zinc/89/19/59/471891959.db2.gz LSZXJESBECABCD-UHFFFAOYSA-N 1 0 335.835 2.684 40 0 EFABRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000019342963 471979693 /nfs/dbraw/zinc/97/96/93/471979693.db2.gz JNIBHYAJTCUVJN-CVEARBPZSA-N 1 0 336.501 2.896 40 0 EFABRO CC(C)CC(=O)NCCn1nc(-c2ccccc2F)cc1C[NH+](C)C ZINC000019446728 471980252 /nfs/dbraw/zinc/98/02/52/471980252.db2.gz FATIIRWWOGPUHI-UHFFFAOYSA-N 1 0 346.450 2.913 40 0 EFABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc2O1 ZINC000019498039 471980417 /nfs/dbraw/zinc/98/04/17/471980417.db2.gz BJZKWRMMJPFFQV-UZLBHIALSA-N 1 0 338.451 2.866 40 0 EFABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401707 471980480 /nfs/dbraw/zinc/98/04/80/471980480.db2.gz LDJWXELWRJIEJK-MRXNPFEDSA-N 1 0 347.422 2.607 40 0 EFABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)NC(C)C)CCC[NH2+]3)on2)cc1 ZINC000019696479 471983050 /nfs/dbraw/zinc/98/30/50/471983050.db2.gz LAWSXFBVZBMQST-LJQANCHMSA-N 1 0 327.428 2.839 40 0 EFABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1N(C)C ZINC000019712038 471983120 /nfs/dbraw/zinc/98/31/20/471983120.db2.gz FXTCVAQYMJGTPO-MSOLQXFVSA-N 1 0 330.476 2.513 40 0 EFABRO CNc1cc(CN(C)Cc2cccc(C)c2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760082 471983969 /nfs/dbraw/zinc/98/39/69/471983969.db2.gz SZUNRHTYDBAZLR-KRWDZBQOSA-N 1 0 325.460 2.883 40 0 EFABRO CNc1cc(CN(C)Cc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759808 471984744 /nfs/dbraw/zinc/98/47/44/471984744.db2.gz DHYOPPITHNRYFZ-INIZCTEOSA-N 1 0 329.423 2.714 40 0 EFABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025344 471998110 /nfs/dbraw/zinc/99/81/10/471998110.db2.gz VECLMGKGWXLRCE-ZBLLQYKHSA-N 1 0 327.509 2.934 40 0 EFABRO c1nn(Cc2ccccc2)c2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000036729322 472004798 /nfs/dbraw/zinc/00/47/98/472004798.db2.gz MIVGMUVSKPWYTO-UHFFFAOYSA-N 1 0 336.443 2.772 40 0 EFABRO CN1C(=O)c2ccccc2[C@H](O)[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000036743753 472005510 /nfs/dbraw/zinc/00/55/10/472005510.db2.gz CDVBKHQCSLCOAU-ZJOUEHCJSA-N 1 0 336.435 2.696 40 0 EFABRO COc1ccc(CCNC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036847512 472007500 /nfs/dbraw/zinc/00/75/00/472007500.db2.gz FWSQFPQSUBOLNV-HOTGVXAUSA-N 1 0 349.544 2.965 40 0 EFABRO C[C@@H](O)C[NH2+]CCNCc1ccccc1OCc1ccccc1Cl ZINC000022075018 472010328 /nfs/dbraw/zinc/01/03/28/472010328.db2.gz KAEGVRCHOAJIIE-OAHLLOKOSA-N 1 0 348.874 2.979 40 0 EFABRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000040039693 472026456 /nfs/dbraw/zinc/02/64/56/472026456.db2.gz GTLPUSAJOVDMCL-UHFFFAOYSA-N 1 0 348.450 2.793 40 0 EFABRO 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CC[N@H+](C)CCNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000096429274 473408778 /nfs/dbraw/zinc/40/87/78/473408778.db2.gz SVFHOQAKMGNSSX-UHFFFAOYSA-N 1 0 325.338 2.921 40 0 EFABRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430957 473409362 /nfs/dbraw/zinc/40/93/62/473409362.db2.gz LPRGMBQYWCYVBJ-OAHLLOKOSA-N 1 0 334.435 2.824 40 0 EFABRO Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1F ZINC000096434655 473413672 /nfs/dbraw/zinc/41/36/72/473413672.db2.gz QRAFGOPNNSTERB-UHFFFAOYSA-N 1 0 336.455 2.624 40 0 EFABRO Cc1c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cnn1C ZINC000096443922 473420795 /nfs/dbraw/zinc/42/07/95/473420795.db2.gz YVYOSXMDPZCNSW-CQSZACIVSA-N 1 0 342.443 2.701 40 0 EFABRO C[NH+]1CCC(NC(=O)/C=C/c2csc(Br)c2)CC1 ZINC000096445222 473422082 /nfs/dbraw/zinc/42/20/82/473422082.db2.gz ZHIFVZUHXUOZEG-NSCUHMNNSA-N 1 0 329.263 2.734 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000096445550 473424080 /nfs/dbraw/zinc/42/40/80/473424080.db2.gz FCALPMOWVWGKNR-UZLBHIALSA-N 1 0 347.478 2.763 40 0 EFABRO CCc1cc(N2CCC([NH2+]Cc3sc(C)nc3C)CC2)ncn1 ZINC000096449354 473427609 /nfs/dbraw/zinc/42/76/09/473427609.db2.gz GPDWMERQGAWJFH-UHFFFAOYSA-N 1 0 331.489 2.871 40 0 EFABRO O=C(NCC[S@](=O)c1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452088 473428353 /nfs/dbraw/zinc/42/83/53/473428353.db2.gz VMNNAMKUSSWFAV-VOIUYBSRSA-N 1 0 348.512 2.565 40 0 EFABRO COC[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(C)o1 ZINC000096452385 473429011 /nfs/dbraw/zinc/42/90/11/473429011.db2.gz YNPUJGBYYWRHKO-QGZVFWFLSA-N 1 0 349.475 2.982 40 0 EFABRO CCc1nc(C(=O)N(Cc2ccccc2F)C2CC[NH+](C)CC2)c[nH]1 ZINC000096454307 473429916 /nfs/dbraw/zinc/42/99/16/473429916.db2.gz CDZROTOENDVRED-UHFFFAOYSA-N 1 0 344.434 2.848 40 0 EFABRO CCn1ccc2ccc(NC(=O)NCC[NH+]3CCC(OC)CC3)cc21 ZINC000096456576 473432348 /nfs/dbraw/zinc/43/23/48/473432348.db2.gz MRVOLWAKKMBMQX-UHFFFAOYSA-N 1 0 344.459 2.894 40 0 EFABRO C[S@@](=O)c1ccc(C[NH2+]Cc2cccc(-n3ccnc3)c2)cc1 ZINC000096461185 473433450 /nfs/dbraw/zinc/43/34/50/473433450.db2.gz DMZXWOSWKXYAPW-QHCPKHFHSA-N 1 0 325.437 2.900 40 0 EFABRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000096461086 473433690 /nfs/dbraw/zinc/43/36/90/473433690.db2.gz KXNNOKBQXNUZBE-AWEZNQCLSA-N 1 0 336.457 2.785 40 0 EFABRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000096466985 473434859 /nfs/dbraw/zinc/43/48/59/473434859.db2.gz WXWLQJZDLYVMSR-IRXDYDNUSA-N 1 0 347.459 2.504 40 0 EFABRO CC(C)C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476703 473439955 /nfs/dbraw/zinc/43/99/55/473439955.db2.gz IKFXIBVLIMSLOT-RTBURBONSA-N 1 0 349.544 2.966 40 0 EFABRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000096479290 473440657 /nfs/dbraw/zinc/44/06/57/473440657.db2.gz UACXPIDYKPNTLN-DOMZBBRYSA-N 1 0 328.503 2.994 40 0 EFABRO Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000096479227 473440784 /nfs/dbraw/zinc/44/07/84/473440784.db2.gz HFVDKSORJPLRKB-ZDUSSCGKSA-N 1 0 345.384 2.863 40 0 EFABRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000096479286 473441056 /nfs/dbraw/zinc/44/10/56/473441056.db2.gz HEBOVJSZCSHYDP-BBRMVZONSA-N 1 0 340.514 2.773 40 0 EFABRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000096481296 473441091 /nfs/dbraw/zinc/44/10/91/473441091.db2.gz MYYRBPSAVQCOHX-NSHDSACASA-N 1 0 343.374 2.690 40 0 EFABRO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000096479147 473441149 /nfs/dbraw/zinc/44/11/49/473441149.db2.gz WZDWGULRTBJRKJ-MFEFFIJZSA-N 1 0 335.517 2.720 40 0 EFABRO COC[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485949 473444449 /nfs/dbraw/zinc/44/44/49/473444449.db2.gz FEPMXSHENAYPHZ-NORZTCDRSA-N 1 0 342.842 2.871 40 0 EFABRO Cc1cnc(N2CCC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc1C ZINC000096486642 473444952 /nfs/dbraw/zinc/44/49/52/473444952.db2.gz VZLQZIPBGNMELX-SFHVURJKSA-N 1 0 325.460 2.837 40 0 EFABRO COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490061 473446213 /nfs/dbraw/zinc/44/62/13/473446213.db2.gz KICXWZNZWHGSPQ-BBRMVZONSA-N 1 0 325.474 2.901 40 0 EFABRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)ccc1O ZINC000096492480 473447177 /nfs/dbraw/zinc/44/71/77/473447177.db2.gz YZWDXZORWPXPLI-UHFFFAOYSA-N 1 0 344.386 2.740 40 0 EFABRO C[C@H](CS(C)(=O)=O)[NH2+]CC1(c2ccccc2Br)CC1 ZINC000096491668 473447960 /nfs/dbraw/zinc/44/79/60/473447960.db2.gz RQZYWLIPXYQQEA-LLVKDONJSA-N 1 0 346.290 2.503 40 0 EFABRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000096493467 473448776 /nfs/dbraw/zinc/44/87/76/473448776.db2.gz LGMYJLYHTIZIQE-YUTCNCBUSA-N 1 0 329.366 2.876 40 0 EFABRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000096494746 473450930 /nfs/dbraw/zinc/45/09/30/473450930.db2.gz GJTWRVSMDOWJJJ-VXGBXAGGSA-N 1 0 329.366 2.728 40 0 EFABRO C[C@H]1C[C@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000096494729 473450962 /nfs/dbraw/zinc/45/09/62/473450962.db2.gz OJWDBIMJXXMDKB-JQWIXIFHSA-N 1 0 341.377 2.871 40 0 EFABRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2=COCCC2)cc1 ZINC000096499924 473451996 /nfs/dbraw/zinc/45/19/96/473451996.db2.gz CMAJGSIXQGCGCA-SFHVURJKSA-N 1 0 330.428 2.643 40 0 EFABRO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096497164 473452164 /nfs/dbraw/zinc/45/21/64/473452164.db2.gz GTFWCIKQKQJFNL-OAHLLOKOSA-N 1 0 336.480 2.569 40 0 EFABRO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000096500608 473452529 /nfs/dbraw/zinc/45/25/29/473452529.db2.gz IEJVPZWHGMVKKS-OAHLLOKOSA-N 1 0 345.464 2.887 40 0 EFABRO C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000096500619 473453352 /nfs/dbraw/zinc/45/33/52/473453352.db2.gz HJFJTWZFDHZZSM-CQSZACIVSA-N 1 0 325.412 2.786 40 0 EFABRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(Cl)cn1 ZINC000096500781 473453426 /nfs/dbraw/zinc/45/34/26/473453426.db2.gz KHBBLDJIUHOEQP-INIZCTEOSA-N 1 0 332.835 2.699 40 0 EFABRO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)no1 ZINC000191044208 473464328 /nfs/dbraw/zinc/46/43/28/473464328.db2.gz RCALACLHHJWBRW-DOTOQJQBSA-N 1 0 346.475 2.532 40 0 EFABRO C[N@@H+]1CC[C@H](CSc2ncnc3c2cnn3Cc2ccccc2)C1 ZINC000191204073 473506960 /nfs/dbraw/zinc/50/69/60/473506960.db2.gz VWDKEQQXMQNFKU-HNNXBMFYSA-N 1 0 339.468 2.918 40 0 EFABRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccnc2)CC1 ZINC000191974819 473596904 /nfs/dbraw/zinc/59/69/04/473596904.db2.gz ABGKQHIESDNAKI-UHFFFAOYSA-N 1 0 345.468 2.761 40 0 EFABRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1nccs1 ZINC000192051397 473616033 /nfs/dbraw/zinc/61/60/33/473616033.db2.gz KGAIVEDNCAYOBJ-OCCSQVGLSA-N 1 0 337.832 2.855 40 0 EFABRO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000153922241 473650662 /nfs/dbraw/zinc/65/06/62/473650662.db2.gz CWHOEDYZWWUMRT-HZPDHXFCSA-N 1 0 344.463 2.528 40 0 EFABRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)C2=O)n(C)n1 ZINC000127990378 473670103 /nfs/dbraw/zinc/67/01/03/473670103.db2.gz MOCVSRPXGNEEGS-AVGNSLFASA-N 1 0 344.381 2.545 40 0 EFABRO CC(C)C(=O)NCCC[NH2+]Cc1c(F)cccc1Br ZINC000192652646 473700754 /nfs/dbraw/zinc/70/07/54/473700754.db2.gz MCVFLVMUGKMLTK-UHFFFAOYSA-N 1 0 331.229 2.840 40 0 EFABRO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245940277 473764956 /nfs/dbraw/zinc/76/49/56/473764956.db2.gz SVUJICIXFKKLSI-YDZRNGNQSA-N 1 0 334.504 2.774 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245952079 473767195 /nfs/dbraw/zinc/76/71/95/473767195.db2.gz LIMXGPNKFZCNHR-KKUMJFAQSA-N 1 0 349.479 2.704 40 0 EFABRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000186875007 473774073 /nfs/dbraw/zinc/77/40/73/473774073.db2.gz XBHWWGUZLOGAAS-CYBMUJFWSA-N 1 0 331.485 2.762 40 0 EFABRO Fc1cc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c2c(c1)COCO2 ZINC000194024493 473828267 /nfs/dbraw/zinc/82/82/67/473828267.db2.gz CXZUKINVSBLWIA-BPQIPLTHSA-N 1 0 333.403 2.782 40 0 EFABRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000180334320 473855104 /nfs/dbraw/zinc/85/51/04/473855104.db2.gz GKCRGLFEYWFAKV-CYBMUJFWSA-N 1 0 345.472 2.815 40 0 EFABRO CCOc1ccc(C(=O)N2CCC([NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000194187004 473856652 /nfs/dbraw/zinc/85/66/52/473856652.db2.gz AEPZBRIHSCMCLL-LJQANCHMSA-N 1 0 344.455 2.972 40 0 EFABRO CC(=O)c1ccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000180434201 473876184 /nfs/dbraw/zinc/87/61/84/473876184.db2.gz OMWJUWFBPIJLDC-GJZGRUSLSA-N 1 0 331.460 2.610 40 0 EFABRO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194355820 473885680 /nfs/dbraw/zinc/88/56/80/473885680.db2.gz ZYXJMMNBTDKNPN-GOSISDBHSA-N 1 0 344.455 2.511 40 0 EFABRO COCCC(=O)N1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180961536 473993968 /nfs/dbraw/zinc/99/39/68/473993968.db2.gz ZIOHWVFTUBGQDK-YWZLYKJASA-N 1 0 330.472 2.845 40 0 EFABRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000195530981 474090199 /nfs/dbraw/zinc/09/01/99/474090199.db2.gz SWBYJJDDYXSHNL-YOEHRIQHSA-N 1 0 347.484 2.586 40 0 EFABRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000195531999 474090328 /nfs/dbraw/zinc/09/03/28/474090328.db2.gz JLPJSNZCSGRQRN-RBUKOAKNSA-N 1 0 345.487 2.577 40 0 EFABRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000195530938 474090350 /nfs/dbraw/zinc/09/03/50/474090350.db2.gz HRZRBEIPJPMQGE-MOPGFXCFSA-N 1 0 330.472 2.926 40 0 EFABRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000195530325 474090816 /nfs/dbraw/zinc/09/08/16/474090816.db2.gz MRZNTBPLLSWREB-LPHOPBHVSA-N 1 0 347.503 2.619 40 0 EFABRO Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000195556997 474094939 /nfs/dbraw/zinc/09/49/39/474094939.db2.gz SVCDHVLTFJEZPA-UZLBHIALSA-N 1 0 346.471 2.559 40 0 EFABRO COC1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000195560464 474095540 /nfs/dbraw/zinc/09/55/40/474095540.db2.gz XFJHLAAPJDUAEE-JEYLPNPQSA-N 1 0 340.489 2.545 40 0 EFABRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCCSC3)cc2)C[C@@H](C)O1 ZINC000195558487 474096472 /nfs/dbraw/zinc/09/64/72/474096472.db2.gz BARYONQRSUIQQI-RKVPGOIHSA-N 1 0 348.512 2.921 40 0 EFABRO CC(C)(C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C(N)=O ZINC000195558818 474096581 /nfs/dbraw/zinc/09/65/81/474096581.db2.gz XCETYRJPSWZLON-LBPRGKRZSA-N 1 0 329.213 2.677 40 0 EFABRO CN(C)C(=O)OCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000195560938 474096600 /nfs/dbraw/zinc/09/66/00/474096600.db2.gz YXQPTMIHQGATCG-INIZCTEOSA-N 1 0 340.851 2.784 40 0 EFABRO Cc1nc(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)sc1C ZINC000195566400 474097028 /nfs/dbraw/zinc/09/70/28/474097028.db2.gz XWGVBCQWXRWYAR-LLVKDONJSA-N 1 0 343.452 2.924 40 0 EFABRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000195566253 474097683 /nfs/dbraw/zinc/09/76/83/474097683.db2.gz DAMFBBBDDJADGM-NVXWUHKLSA-N 1 0 328.460 2.705 40 0 EFABRO COc1ccc([C@H](C[NH2+][C@@H]2CCS[C@@H]2C)N2CCOCC2)cc1 ZINC000195573167 474098551 /nfs/dbraw/zinc/09/85/51/474098551.db2.gz OLGSRTAVRDMHPD-OLMNPRSZSA-N 1 0 336.501 2.552 40 0 EFABRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)nc1 ZINC000195576387 474100139 /nfs/dbraw/zinc/10/01/39/474100139.db2.gz BZIYQKGFTJTLTL-GOSISDBHSA-N 1 0 348.406 2.699 40 0 EFABRO CC(C)[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000182165742 474113257 /nfs/dbraw/zinc/11/32/57/474113257.db2.gz DZPHWHRECHSTIL-MLGOLLRUSA-N 1 0 346.443 2.533 40 0 EFABRO COc1ccc(N2[NH+]=C(N)C[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000222549787 474171375 /nfs/dbraw/zinc/17/13/75/474171375.db2.gz KFLSSOLREWDWQT-HNNXBMFYSA-N 1 0 327.384 2.936 40 0 EFABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223210423 474180227 /nfs/dbraw/zinc/18/02/27/474180227.db2.gz SFDRTAMIPOYVBA-IRXDYDNUSA-N 1 0 344.484 2.907 40 0 EFABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)o1 ZINC000223252488 474182220 /nfs/dbraw/zinc/18/22/20/474182220.db2.gz RKHOSICRNLLGDG-JKSUJKDBSA-N 1 0 330.457 2.517 40 0 EFABRO O=C(NCCC[NH+]1CCCCC1)C1(c2ccccc2)CCOCC1 ZINC000223696158 474188216 /nfs/dbraw/zinc/18/82/16/474188216.db2.gz MXESIIZRSBLGKQ-UHFFFAOYSA-N 1 0 330.472 2.727 40 0 EFABRO C[NH+](C)CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225403287 474208660 /nfs/dbraw/zinc/20/86/60/474208660.db2.gz QOMNHRQDPZGPOO-UHFFFAOYSA-N 1 0 348.516 2.551 40 0 EFABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1OC ZINC000225409677 474210557 /nfs/dbraw/zinc/21/05/57/474210557.db2.gz DVVNBELCTPXJTH-UHFFFAOYSA-N 1 0 337.489 2.866 40 0 EFABRO Cc1nnsc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000225418108 474211097 /nfs/dbraw/zinc/21/10/97/474211097.db2.gz YZSFABCRSHPGQK-CJNGLKHVSA-N 1 0 344.484 2.829 40 0 EFABRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@@H]2CCCOC2)cc1 ZINC000225423068 474211533 /nfs/dbraw/zinc/21/15/33/474211533.db2.gz HPQBTNJYRQYEOM-QFBILLFUSA-N 1 0 346.471 2.765 40 0 EFABRO COC(=O)C1CCC([NH2+][C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000225423953 474212573 /nfs/dbraw/zinc/21/25/73/474212573.db2.gz ITBZYZPEEOGIOO-ZBCRRDGASA-N 1 0 330.432 2.748 40 0 EFABRO O=C1[C@@H](N2CC[NH+](CCCCCF)CC2)CCN1c1ccccc1 ZINC000225466419 474215072 /nfs/dbraw/zinc/21/50/72/474215072.db2.gz FWXYPNNNEFKMRD-SFHVURJKSA-N 1 0 333.451 2.549 40 0 EFABRO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000225472296 474215393 /nfs/dbraw/zinc/21/53/93/474215393.db2.gz SDYGMVOZGWWMKQ-GHMZBOCLSA-N 1 0 343.290 2.655 40 0 EFABRO COCC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468105 474215700 /nfs/dbraw/zinc/21/57/00/474215700.db2.gz WTUVWZFRZWPYCB-XJKSGUPXSA-N 1 0 345.892 2.832 40 0 EFABRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000225474249 474216806 /nfs/dbraw/zinc/21/68/06/474216806.db2.gz NHLRZTZIHCYDNL-ZNMIVQPWSA-N 1 0 342.361 2.733 40 0 EFABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000225492801 474218053 /nfs/dbraw/zinc/21/80/53/474218053.db2.gz PCNKWTNYRSCVSE-SJLPKXTDSA-N 1 0 337.508 2.852 40 0 EFABRO Cc1cccc(COC[C@H]2C[N@H+](CC3CCC3)Cc3ccnn32)n1 ZINC000247867381 474218505 /nfs/dbraw/zinc/21/85/05/474218505.db2.gz JSAGUWRDUNUIDZ-LJQANCHMSA-N 1 0 326.444 2.960 40 0 EFABRO O=C(CC1CC1)NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 ZINC000247878860 474220985 /nfs/dbraw/zinc/22/09/85/474220985.db2.gz UUVFTCUTYXKOOB-INIZCTEOSA-N 1 0 344.484 2.808 40 0 EFABRO Cc1csc(C2([NH2+]CCO[C@H]3CCCCO3)CCOCC2)n1 ZINC000225532463 474222904 /nfs/dbraw/zinc/22/29/04/474222904.db2.gz BVLHZMYEPKJFOB-AWEZNQCLSA-N 1 0 326.462 2.590 40 0 EFABRO Cc1cc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CCCO3)CC2)c(C)o1 ZINC000225553578 474224033 /nfs/dbraw/zinc/22/40/33/474224033.db2.gz KKVQQDKRBXBTGO-SFHVURJKSA-N 1 0 349.475 2.587 40 0 EFABRO COc1ccc(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225567646 474225867 /nfs/dbraw/zinc/22/58/67/474225867.db2.gz OAOISRSCOHENNS-MRXNPFEDSA-N 1 0 334.485 2.643 40 0 EFABRO Cn1c(Sc2ccc(C(F)(F)F)cn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000225589620 474227186 /nfs/dbraw/zinc/22/71/86/474227186.db2.gz QUWVGUJTNVMBRC-SECBINFHSA-N 1 0 343.378 2.847 40 0 EFABRO O=C(c1cnccn1)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000225610777 474228713 /nfs/dbraw/zinc/22/87/13/474228713.db2.gz NONBJZGHFXMANN-UHFFFAOYSA-N 1 0 336.848 2.586 40 0 EFABRO O=C([C@H]1CCC[N@@H+]1CCCCC1CCOCC1)N1CCSCC1 ZINC000225626734 474230342 /nfs/dbraw/zinc/23/03/42/474230342.db2.gz XKTAVLGFWCUZEQ-QGZVFWFLSA-N 1 0 340.533 2.623 40 0 EFABRO Nc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000225615774 474230695 /nfs/dbraw/zinc/23/06/95/474230695.db2.gz GQYTZKAOFKNPDA-CYBMUJFWSA-N 1 0 338.333 2.731 40 0 EFABRO CCOc1ccccc1CN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000225658222 474233429 /nfs/dbraw/zinc/23/34/29/474233429.db2.gz QFDCTGLFSMJSIS-AWEZNQCLSA-N 1 0 345.468 2.888 40 0 EFABRO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000247961336 474233968 /nfs/dbraw/zinc/23/39/68/474233968.db2.gz FFCIMXGUOLIPDH-QGZVFWFLSA-N 1 0 348.512 2.959 40 0 EFABRO CC(C)CS(=O)(=O)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689805 474236837 /nfs/dbraw/zinc/23/68/37/474236837.db2.gz TUGXSROMXZYYQA-UHFFFAOYSA-N 1 0 342.530 2.556 40 0 EFABRO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000182709871 474239259 /nfs/dbraw/zinc/23/92/59/474239259.db2.gz VNWIHGBLPIQMHJ-SJORKVTESA-N 1 0 346.452 2.929 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)C1 ZINC000226170732 474239890 /nfs/dbraw/zinc/23/98/90/474239890.db2.gz VFTHHKBDAZXHKY-BFYDXBDKSA-N 1 0 325.424 2.560 40 0 EFABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCCOc1ccc(F)cc1 ZINC000226170773 474240259 /nfs/dbraw/zinc/24/02/59/474240259.db2.gz LGEBOWPOLKLAJM-BFYDXBDKSA-N 1 0 325.424 2.845 40 0 EFABRO Cc1nc(CN2CCO[C@@H]3CC[N@H+](Cc4ccoc4)CC[C@H]32)cs1 ZINC000247997419 474242641 /nfs/dbraw/zinc/24/26/41/474242641.db2.gz AQIJKKNHIMJDJT-QZTJIDSGSA-N 1 0 347.484 2.910 40 0 EFABRO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]21 ZINC000248025228 474246676 /nfs/dbraw/zinc/24/66/76/474246676.db2.gz JILHQMTWRIDWPC-MOXGXCLJSA-N 1 0 341.455 2.548 40 0 EFABRO COc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1F ZINC000228923476 474249362 /nfs/dbraw/zinc/24/93/62/474249362.db2.gz OJBMOIWHTMMLKK-UHFFFAOYSA-N 1 0 342.378 2.642 40 0 EFABRO Fc1ccccc1CNc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228936707 474251330 /nfs/dbraw/zinc/25/13/30/474251330.db2.gz CZVFYSBOQHLQHZ-UHFFFAOYSA-N 1 0 326.379 2.502 40 0 EFABRO Cc1nc(CN2CCO[C@@H]3CC[N@H+](Cc4ccco4)CC[C@H]32)cs1 ZINC000248048001 474251571 /nfs/dbraw/zinc/25/15/71/474251571.db2.gz RFZHUHIOIKVRKC-QZTJIDSGSA-N 1 0 347.484 2.910 40 0 EFABRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC000248047963 474251714 /nfs/dbraw/zinc/25/17/14/474251714.db2.gz MTCGWDNPIHAOMY-AEFFLSMTSA-N 1 0 344.484 2.798 40 0 EFABRO C[NH+](C)CC[C@@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2ccnn21 ZINC000248091205 474258622 /nfs/dbraw/zinc/25/86/22/474258622.db2.gz FQQWMJBSFGGZCY-GOSISDBHSA-N 1 0 349.438 2.580 40 0 EFABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)s1 ZINC000248124369 474261485 /nfs/dbraw/zinc/26/14/85/474261485.db2.gz WLEBBYSTXLBLCK-USXIJHARSA-N 1 0 345.468 2.905 40 0 EFABRO C[NH+](C)CCS[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189064256 474279315 /nfs/dbraw/zinc/27/93/15/474279315.db2.gz PRFDVHZGBAAIJC-OAHLLOKOSA-N 1 0 328.428 2.751 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(C(=O)c2cccc(F)c2)Cc2cncn21 ZINC000248261589 474286843 /nfs/dbraw/zinc/28/68/43/474286843.db2.gz QVOYYZGAVVMCAB-KRWDZBQOSA-N 1 0 344.434 2.951 40 0 EFABRO O=C1[C@H]([NH2+][C@@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031710 474310366 /nfs/dbraw/zinc/31/03/66/474310366.db2.gz UQGSGIOJEHATAO-HUUCEWRRSA-N 1 0 342.361 2.575 40 0 EFABRO CCc1nnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000189447705 474401753 /nfs/dbraw/zinc/40/17/53/474401753.db2.gz YOSOSPQLBLGYPD-TZMCWYRMSA-N 1 0 331.445 2.667 40 0 EFABRO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000237942110 474507807 /nfs/dbraw/zinc/50/78/07/474507807.db2.gz NHLRZTZIHCYDNL-RBSFLKMASA-N 1 0 342.361 2.733 40 0 EFABRO Cc1cccc(OCC(=O)N2CCC(Oc3ccncc3)CC2)c1 ZINC000244998616 474569355 /nfs/dbraw/zinc/56/93/55/474569355.db2.gz KMGOGQAJPNRFIJ-UHFFFAOYSA-N 1 0 326.396 2.839 40 0 EFABRO CCN1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245287251 474573762 /nfs/dbraw/zinc/57/37/62/474573762.db2.gz BRCNPISXZRHFHQ-UHOFOFEASA-N 1 0 340.826 2.767 40 0 EFABRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343881 474574733 /nfs/dbraw/zinc/57/47/33/474574733.db2.gz WGZOUMLDLMNRQY-ATZDWAIDSA-N 1 0 341.455 2.559 40 0 EFABRO CC(C)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000250584062 474633741 /nfs/dbraw/zinc/63/37/41/474633741.db2.gz XUKODHOJSYWPDW-WMZOPIPTSA-N 1 0 344.455 2.679 40 0 EFABRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc(O[C@H]2CCOC2)n1 ZINC000252486709 474672756 /nfs/dbraw/zinc/67/27/56/474672756.db2.gz MJJHHRVEIZDTTJ-RNIPGJKVSA-N 1 0 344.455 2.687 40 0 EFABRO CCN(C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1)CC(F)(F)F ZINC000252486717 474673324 /nfs/dbraw/zinc/67/33/24/474673324.db2.gz MLRGYOLSODOXHV-IAOVAPTHSA-N 1 0 342.405 2.851 40 0 EFABRO CO[C@H](C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489975 474674937 /nfs/dbraw/zinc/67/49/37/474674937.db2.gz KGPAQTQHSRUBCN-KBXCAEBGSA-N 1 0 348.468 2.715 40 0 EFABRO CO[C@@H](C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489976 474674972 /nfs/dbraw/zinc/67/49/72/474674972.db2.gz KGPAQTQHSRUBCN-KDOFPFPSSA-N 1 0 348.468 2.715 40 0 EFABRO CC[C@H](O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000252494940 474678879 /nfs/dbraw/zinc/67/88/79/474678879.db2.gz OIRAFPDYCAXCOH-KRWDZBQOSA-N 1 0 347.459 2.601 40 0 EFABRO CC[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000252506613 474685806 /nfs/dbraw/zinc/68/58/06/474685806.db2.gz WBPNEIKPXCJOBE-AWEZNQCLSA-N 1 0 331.287 2.924 40 0 EFABRO COC(=O)C1CCC([NH2+][C@H](C)[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000252509125 474687721 /nfs/dbraw/zinc/68/77/21/474687721.db2.gz YCVFSNVLFDNCKJ-NOUVDNQPSA-N 1 0 327.371 2.708 40 0 EFABRO COC(=O)C1CCC([NH2+][C@H](C)[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000252509126 474688024 /nfs/dbraw/zinc/68/80/24/474688024.db2.gz YCVFSNVLFDNCKJ-VYXACLINSA-N 1 0 327.371 2.708 40 0 EFABRO COC(=O)CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252511301 474689731 /nfs/dbraw/zinc/68/97/31/474689731.db2.gz ZXGVCFUBRPSVAM-RDJZCZTQSA-N 1 0 346.471 2.745 40 0 EFABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000252514466 474690871 /nfs/dbraw/zinc/69/08/71/474690871.db2.gz CNJSFLJDHFMEFR-RRFJBIMHSA-N 1 0 325.792 2.746 40 0 EFABRO COc1ccc([C@@H]2[C@H]([NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252516976 474692638 /nfs/dbraw/zinc/69/26/38/474692638.db2.gz YNXZHERJGQKRTC-PMPSAXMXSA-N 1 0 337.828 2.616 40 0 EFABRO C[C@@H]1C[N@H+](CC2(O)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000252581677 474697820 /nfs/dbraw/zinc/69/78/20/474697820.db2.gz LJTKZLYXNPAXOS-HUUCEWRRSA-N 1 0 326.481 2.917 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@H](O)C(F)(F)F ZINC000252585737 474699180 /nfs/dbraw/zinc/69/91/80/474699180.db2.gz KSMAZCXJJDTNFJ-BMFZPTHFSA-N 1 0 330.394 2.752 40 0 EFABRO CCC1(CNC(=O)C2=COCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000253392400 474731291 /nfs/dbraw/zinc/73/12/91/474731291.db2.gz SJBZUDRTQDHBHO-UHFFFAOYSA-N 1 0 344.455 2.683 40 0 EFABRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@H](C)C1 ZINC000253404275 474739856 /nfs/dbraw/zinc/73/98/56/474739856.db2.gz IHMGFIHYGMMVKP-WBMJQRKESA-N 1 0 334.851 2.790 40 0 EFABRO CC(C)C[N@@H+]1CCN2[C@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 ZINC000253408578 474741906 /nfs/dbraw/zinc/74/19/06/474741906.db2.gz YFOYYPMNYVRRGP-INIZCTEOSA-N 1 0 347.478 2.702 40 0 biogenic,in-vitro EFABRO Cn1ccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)n1 ZINC000253418594 474745328 /nfs/dbraw/zinc/74/53/28/474745328.db2.gz NXQCLGHBZLQFIC-ZDUSSCGKSA-N 1 0 335.249 2.551 40 0 EFABRO CCOC(=O)c1cccnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000253419282 474747186 /nfs/dbraw/zinc/74/71/86/474747186.db2.gz KPRGBYWDQNNZPS-UHFFFAOYSA-N 1 0 340.427 2.730 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000253419905 474747279 /nfs/dbraw/zinc/74/72/79/474747279.db2.gz DYGDUMWMNDGAAH-AEFFLSMTSA-N 1 0 346.471 2.545 40 0 EFABRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CC(F)(F)F)[C@@H](C)C2)s1 ZINC000253419933 474747369 /nfs/dbraw/zinc/74/73/69/474747369.db2.gz SYWVYLUYTKRSJE-CABZTGNLSA-N 1 0 335.395 2.731 40 0 EFABRO C[C@@H](c1ccccc1)[NH+]1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000253420232 474747600 /nfs/dbraw/zinc/74/76/00/474747600.db2.gz JFEACUCBOJSTTD-YOEHRIQHSA-N 1 0 327.428 2.639 40 0 EFABRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1F ZINC000253430773 474756866 /nfs/dbraw/zinc/75/68/66/474756866.db2.gz OAHYVPQPFBBVSG-HNNXBMFYSA-N 1 0 330.407 2.773 40 0 EFABRO c1nc(N2CCCC2)cc(N2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000253433405 474757539 /nfs/dbraw/zinc/75/75/39/474757539.db2.gz WLSFTMOZXMFUOM-QGZVFWFLSA-N 1 0 346.475 2.631 40 0 EFABRO Nc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)ccn1 ZINC000253432471 474758493 /nfs/dbraw/zinc/75/84/93/474758493.db2.gz KNJYCDAIHUDZBK-LLVKDONJSA-N 1 0 325.338 2.785 40 0 EFABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)on1 ZINC000253600307 474771432 /nfs/dbraw/zinc/77/14/32/474771432.db2.gz NFIQCQLVOZRRFG-OLZOCXBDSA-N 1 0 334.445 2.717 40 0 EFABRO CC[NH+](CC)C[C@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000306126319 474806133 /nfs/dbraw/zinc/80/61/33/474806133.db2.gz DSMHXPRDRLYBEJ-LJQANCHMSA-N 1 0 326.488 2.899 40 0 EFABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000306127707 474807700 /nfs/dbraw/zinc/80/77/00/474807700.db2.gz GFGOEDLLSCGTQG-IAGOWNOFSA-N 1 0 327.453 2.841 40 0 EFABRO CC(C)CNC(=O)c1nc2c(s1)C[C@H]([NH2+]Cc1ccoc1)CC2 ZINC000306129398 474808052 /nfs/dbraw/zinc/80/80/52/474808052.db2.gz IBWQTEVDXCFGGF-CYBMUJFWSA-N 1 0 333.457 2.769 40 0 EFABRO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@@H+]2CC1CC1 ZINC000306128515 474808089 /nfs/dbraw/zinc/80/80/89/474808089.db2.gz HCWSWOIDALXQKT-ATZDWAIDSA-N 1 0 346.515 2.772 40 0 EFABRO O=C(c1cnc2n1C[C@@H]([NH2+]CC1CCCC1)CC2)N1CCCCC1 ZINC000306133994 474810009 /nfs/dbraw/zinc/81/00/09/474810009.db2.gz NBINXNJCPWXQSU-INIZCTEOSA-N 1 0 330.476 2.604 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137196 474810074 /nfs/dbraw/zinc/81/00/74/474810074.db2.gz QOLSYEQQKSEEJX-AEFFLSMTSA-N 1 0 349.425 2.860 40 0 EFABRO Cn1cc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144458 474811356 /nfs/dbraw/zinc/81/13/56/474811356.db2.gz ZFYUASLYBDVJTO-FUHWJXTLSA-N 1 0 333.439 2.588 40 0 EFABRO CC[NH+](CC)CCn1c2c(N=O)c(C)nn2c(=O)c2ccccc21 ZINC000255189774 474817776 /nfs/dbraw/zinc/81/77/76/474817776.db2.gz RYKQGFTWVSFTEG-UHFFFAOYSA-N 1 0 327.388 2.697 40 0 EFABRO Cn1cncc1CN1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257260125 474927670 /nfs/dbraw/zinc/92/76/70/474927670.db2.gz LBJWQRLXEAKAQK-INIZCTEOSA-N 1 0 335.415 2.686 40 0 EFABRO Cc1nc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCC[C@@H]32)co1 ZINC000257283174 474929748 /nfs/dbraw/zinc/92/97/48/474929748.db2.gz OXAPBQGXIAXRIT-SZMVWBNQSA-N 1 0 325.412 2.733 40 0 EFABRO FC(F)(F)c1cccc(OCCc2cc([C@@H]3C[NH2+]CCO3)[nH]n2)c1 ZINC000257283079 474929855 /nfs/dbraw/zinc/92/98/55/474929855.db2.gz OWRZAEPCQLUVCE-HNNXBMFYSA-N 1 0 341.333 2.711 40 0 EFABRO Cn1nccc1C[N@@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257285499 474932398 /nfs/dbraw/zinc/93/23/98/474932398.db2.gz PHKTZJGREACKBO-HNNXBMFYSA-N 1 0 325.412 2.857 40 0 EFABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)ccn1 ZINC000257286109 474932887 /nfs/dbraw/zinc/93/28/87/474932887.db2.gz PKHYXIFQHLXDQA-GOSISDBHSA-N 1 0 327.428 2.832 40 0 EFABRO Cc1ccncc1C[N@@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257289045 474935134 /nfs/dbraw/zinc/93/51/34/474935134.db2.gz PWSWVBWVBLLPTE-MRXNPFEDSA-N 1 0 334.427 2.745 40 0 EFABRO c1c[nH]c(-c2cc(C[C@H]3CCC[N@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257292074 474936000 /nfs/dbraw/zinc/93/60/00/474936000.db2.gz QJWMOYKQCSUPSS-OAHLLOKOSA-N 1 0 334.427 2.716 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccc(C)s2)cc1 ZINC000257293695 474936544 /nfs/dbraw/zinc/93/65/44/474936544.db2.gz QQTAQGDCUDACKJ-QGZVFWFLSA-N 1 0 330.453 2.781 40 0 EFABRO Cn1cncc1-c1nccnc1[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257294818 474936791 /nfs/dbraw/zinc/93/67/91/474936791.db2.gz QVWGTDIDOYKBGN-ZDUSSCGKSA-N 1 0 340.456 2.713 40 0 EFABRO CNC(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000257296748 474939068 /nfs/dbraw/zinc/93/90/68/474939068.db2.gz REFUIYDXRQLQNZ-QGZVFWFLSA-N 1 0 349.438 2.816 40 0 EFABRO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3CC3CC3)ccc2c1N ZINC000257306064 474942402 /nfs/dbraw/zinc/94/24/02/474942402.db2.gz SSTOLYULGADIAH-CYBMUJFWSA-N 1 0 330.457 2.785 40 0 EFABRO CC[N@@H+]1CCC[C@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 ZINC000257309126 474945061 /nfs/dbraw/zinc/94/50/61/474945061.db2.gz TZQYUPKAUXFYFB-OAHLLOKOSA-N 1 0 326.448 2.901 40 0 EFABRO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000257311273 474947796 /nfs/dbraw/zinc/94/77/96/474947796.db2.gz UITHUOBFJMLWII-KRWDZBQOSA-N 1 0 341.459 2.689 40 0 EFABRO Cn1cc(CN2CC[N@H+](C)C[C@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316622 474949605 /nfs/dbraw/zinc/94/96/05/474949605.db2.gz VGJCDWDPXRSQDO-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO Cn1cncc1-c1nccnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257318305 474951160 /nfs/dbraw/zinc/95/11/60/474951160.db2.gz VNHRQJKHGWTORB-UHFFFAOYSA-N 1 0 334.427 2.652 40 0 EFABRO NC(=O)[C@]1(CCCc2ccccn2)CCC[N@H+](Cc2cccnc2)C1 ZINC000257319675 474951878 /nfs/dbraw/zinc/95/18/78/474951878.db2.gz VTOMSEIJDYLAJE-HXUWFJFHSA-N 1 0 338.455 2.567 40 0 EFABRO CCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257326500 474955655 /nfs/dbraw/zinc/95/56/55/474955655.db2.gz WXJXETHFDZDLJL-KYHREEPGSA-N 1 0 342.483 2.766 40 0 EFABRO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3ccsc3)CCN2C)c1 ZINC000257327520 474956960 /nfs/dbraw/zinc/95/69/60/474956960.db2.gz XBRBSZNSKAAYHN-QGZVFWFLSA-N 1 0 329.469 2.596 40 0 EFABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccc(C)s2)c1 ZINC000257330248 474957165 /nfs/dbraw/zinc/95/71/65/474957165.db2.gz XNOIADIHAFJVJW-QGZVFWFLSA-N 1 0 329.469 2.563 40 0 EFABRO COc1ccc([C@H]2C[N@H+](CC3(O)CCCCC3)CCN2C(C)=O)cc1 ZINC000257332711 474959394 /nfs/dbraw/zinc/95/93/94/474959394.db2.gz XYIVQRDUCCBWTN-LJQANCHMSA-N 1 0 346.471 2.596 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257331752 474959910 /nfs/dbraw/zinc/95/99/10/474959910.db2.gz XUCMRASBKDZIJK-OAHLLOKOSA-N 1 0 345.418 2.672 40 0 EFABRO CCOc1ncccc1C(=O)N1CC[C@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257335272 474962191 /nfs/dbraw/zinc/96/21/91/474962191.db2.gz YJKYDMPBUIMEIM-AWEZNQCLSA-N 1 0 340.427 2.855 40 0 EFABRO C[C@]12CCCN(C(=O)c3cc(-c4ccccc4F)n[nH]3)[C@@H]1CCC[NH2+]2 ZINC000257340269 474963011 /nfs/dbraw/zinc/96/30/11/474963011.db2.gz ZFHDMSCNDXCULF-MJGOQNOKSA-N 1 0 342.418 2.963 40 0 EFABRO COc1ccccc1OCC(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257340214 474963969 /nfs/dbraw/zinc/96/39/69/474963969.db2.gz ZFCCBWZATIJAPB-HKUYNNGSSA-N 1 0 332.444 2.597 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2cc(F)cc(F)c2)n1 ZINC000257340043 474964082 /nfs/dbraw/zinc/96/40/82/474964082.db2.gz ZEGMJULESLGYRM-MRXNPFEDSA-N 1 0 346.381 2.794 40 0 EFABRO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261602964 474990924 /nfs/dbraw/zinc/99/09/24/474990924.db2.gz ASMUWQXYQRCAKR-LDTOTXGLSA-N 1 0 337.467 2.523 40 0 EFABRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000333646451 475990851 /nfs/dbraw/zinc/99/08/51/475990851.db2.gz JAYAWJODNLQVRH-CPUCHLNUSA-N 1 0 341.459 2.927 40 0 EFABRO C[C@H]1C[C@@H](c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)CC[N@@H+]1C ZINC000333737653 476016074 /nfs/dbraw/zinc/01/60/74/476016074.db2.gz XCUIKFSOCYDIIR-KKUMJFAQSA-N 1 0 340.427 2.788 40 0 EFABRO COCc1cc(CNCC(C)(C)[N@@H+]2CCc3ccccc3C2)no1 ZINC000298260460 476037106 /nfs/dbraw/zinc/03/71/06/476037106.db2.gz FNELSIPTDCIJSJ-UHFFFAOYSA-N 1 0 329.444 2.748 40 0 EFABRO Cc1ccc([C@]23CCC[C@@H]4CN(Cc5cnc(N)nc5)[C@H](O2)[C@@H]43)cc1 ZINC000409412929 476983766 /nfs/dbraw/zinc/98/37/66/476983766.db2.gz AMHBKTQICGWSHC-UIXUWTQFSA-N 1 0 336.439 2.851 40 0 EFABRO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@H+](CC2CCCC2)C1 ZINC000585095513 479280412 /nfs/dbraw/zinc/28/04/12/479280412.db2.gz UXQOHPXMWXHQQJ-GOSISDBHSA-N 1 0 347.503 2.605 40 0 EFABRO COCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100838 479282338 /nfs/dbraw/zinc/28/23/38/479282338.db2.gz YNAAEQAYVRWFDP-IBGZPJMESA-N 1 0 334.435 2.819 40 0 EFABRO Cn1ccnc1C[NH+]1CCC2(CC(NC(=O)OC3CCCC3)C2)CC1 ZINC000585103599 479283968 /nfs/dbraw/zinc/28/39/68/479283968.db2.gz PVAZNHODKJDBQC-UHFFFAOYSA-N 1 0 346.475 2.834 40 0 EFABRO Cc1ccc(-c2n[nH]c3c2CCN(C(=O)C[N@@H+](C)C(C)C)CC3)cc1 ZINC000585110418 479287791 /nfs/dbraw/zinc/28/77/91/479287791.db2.gz SDPHOVBCUDDGCE-UHFFFAOYSA-N 1 0 340.471 2.653 40 0 EFABRO Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC000585110381 479287843 /nfs/dbraw/zinc/28/78/43/479287843.db2.gz NDJFCWDJPVJBIV-UHFFFAOYSA-N 1 0 340.471 2.653 40 0 EFABRO CC(C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109748 479287911 /nfs/dbraw/zinc/28/79/11/479287911.db2.gz OMQBCAOOKZLWJY-JENIJYKNSA-N 1 0 338.455 2.576 40 0 EFABRO COCC[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000585113230 479289495 /nfs/dbraw/zinc/28/94/95/479289495.db2.gz NSHZIWOUJNXATO-HXUWFJFHSA-N 1 0 344.499 2.969 40 0 EFABRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1nncn1-c1ccccc1 ZINC000585140611 479297165 /nfs/dbraw/zinc/29/71/65/479297165.db2.gz HJXRHOYYTPFEHN-AWEZNQCLSA-N 1 0 345.447 2.518 40 0 EFABRO CC(C)(C)OC(=O)N1CCC([N@H+](CCCO)Cc2ccccn2)CC1 ZINC000585141534 479298582 /nfs/dbraw/zinc/29/85/82/479298582.db2.gz WUIMIWPPFZYIAW-UHFFFAOYSA-N 1 0 349.475 2.666 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)cc2)cc1 ZINC000585182270 479301536 /nfs/dbraw/zinc/30/15/36/479301536.db2.gz LCJNASPNQKAIJT-SFHVURJKSA-N 1 0 328.387 2.550 40 0 EFABRO Cn1cncc1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000585262368 479303277 /nfs/dbraw/zinc/30/32/77/479303277.db2.gz FDNYNTUVJPQSDS-LSTHTHJFSA-N 1 0 341.455 2.869 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)n1 ZINC000585182599 479303355 /nfs/dbraw/zinc/30/33/55/479303355.db2.gz YQZRCOVPLYCSOG-SFHVURJKSA-N 1 0 349.438 2.997 40 0 EFABRO C[N@@H+]1CCN(Cc2cc[nH]n2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261129 479303583 /nfs/dbraw/zinc/30/35/83/479303583.db2.gz GCQSMJIFNTYVJT-MRXNPFEDSA-N 1 0 335.455 2.564 40 0 EFABRO Clc1ccc2ncc(-c3cncc(C[C@H]4CCC[NH2+]C4)n3)n2c1 ZINC000585263351 479303916 /nfs/dbraw/zinc/30/39/16/479303916.db2.gz WPRCIEPWDBTCQY-GFCCVEGCSA-N 1 0 327.819 2.987 40 0 EFABRO OC[C@]1(c2cccc(-c3cnc4ccc(Cl)cn43)n2)CCC[NH2+]C1 ZINC000585263055 479304029 /nfs/dbraw/zinc/30/40/29/479304029.db2.gz XUWDLYMYJSIYHL-SFHVURJKSA-N 1 0 342.830 2.663 40 0 EFABRO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585275905 479306127 /nfs/dbraw/zinc/30/61/27/479306127.db2.gz GNIFHJCDTIXCIC-GOSISDBHSA-N 1 0 333.407 2.836 40 0 EFABRO CCc1ncc(C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccc(F)cc3)C2)cn1 ZINC000585277837 479306739 /nfs/dbraw/zinc/30/67/39/479306739.db2.gz PXWOJMNPLYHIRY-SJLPKXTDSA-N 1 0 329.419 2.604 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)[nH]1 ZINC000585278342 479307198 /nfs/dbraw/zinc/30/71/98/479307198.db2.gz CFPUIRYVJLFYQN-QAPCUYQASA-N 1 0 331.435 2.845 40 0 EFABRO CCc1ncc(C[N@@H+]2CC[C@H](Cc3cccc(C)c3)[C@@H](O)C2)cn1 ZINC000585278296 479307558 /nfs/dbraw/zinc/30/75/58/479307558.db2.gz BOXSGFNSWOASHN-MOPGFXCFSA-N 1 0 325.456 2.773 40 0 EFABRO Cc1cc(OC[C@@]2(O)COCC[N@@H+](C3CCCCC3)C2)ccc1F ZINC000585284588 479308153 /nfs/dbraw/zinc/30/81/53/479308153.db2.gz YQLISZCCWSOUJT-IBGZPJMESA-N 1 0 337.435 2.909 40 0 EFABRO O[C@@H]1[C@@H](C[NH2+]Cc2cccnc2)CCC[C@H]1Oc1cccc(F)c1 ZINC000585287241 479309030 /nfs/dbraw/zinc/30/90/30/479309030.db2.gz VFKASSYMOPGYDH-ATZDWAIDSA-N 1 0 330.403 2.919 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCn2ccnc2)[C@H]1O ZINC000585288910 479309544 /nfs/dbraw/zinc/30/95/44/479309544.db2.gz LCZFEBPSPYYDBY-QXAKKESOSA-N 1 0 329.444 2.532 40 0 EFABRO CNC(=O)[C@@]1(C)CCC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585285365 479309572 /nfs/dbraw/zinc/30/95/72/479309572.db2.gz XYBGETDCYJOAOD-SESVDKBCSA-N 1 0 344.499 2.923 40 0 EFABRO CN1CCC([NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290058 479310640 /nfs/dbraw/zinc/31/06/40/479310640.db2.gz QVNYDVOKNBNGSZ-RCCFBDPRSA-N 1 0 338.879 2.685 40 0 EFABRO COc1ccccc1C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292995 479310884 /nfs/dbraw/zinc/31/08/84/479310884.db2.gz QUNBPVFGBRAJPZ-ZHALLVOQSA-N 1 0 347.842 2.670 40 0 EFABRO C[NH+](C)C[C@H]1CCC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)OC1 ZINC000575406720 479439483 /nfs/dbraw/zinc/43/94/83/479439483.db2.gz QYKIGRUOSMVAPG-HWWITLHISA-N 1 0 346.515 2.772 40 0 EFABRO CCCCCC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 ZINC000604382644 479509442 /nfs/dbraw/zinc/50/94/42/479509442.db2.gz WSQAYTSEIRSBAN-NCXUSEDFSA-N 1 0 349.519 2.670 40 0 biogenic,in-vitro EFABRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc3occc3c2)n1 ZINC000666184344 482213611 /nfs/dbraw/zinc/21/36/11/482213611.db2.gz AEMNBJHETYFYSA-UHFFFAOYSA-N 1 0 327.388 2.513 40 0 EFABRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCSC1 ZINC000188234423 500883032 /nfs/dbraw/zinc/88/30/32/500883032.db2.gz WWXKRQBGFBHBNP-FZMZJTMJSA-N 1 0 330.291 2.838 40 0 EFABRO COC(=O)c1cc(Cl)cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000178569582 521865035 /nfs/dbraw/zinc/86/50/35/521865035.db2.gz KWTJTBRVGLFYCV-FTNCPSPGSA-N 1 0 336.819 2.986 40 0 EFABRO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245358606 526482034 /nfs/dbraw/zinc/48/20/34/526482034.db2.gz ZSYAWSRWXIEWQU-DFQSSKMNSA-N 1 0 342.483 2.961 40 0 EFABRO CN(C(=O)C1(Cc2ccccc2F)CC[NH+](C)CC1)C1CCOCC1 ZINC000257243483 535961374 /nfs/dbraw/zinc/96/13/74/535961374.db2.gz IHEZBIGSEUSGDQ-UHFFFAOYSA-N 1 0 348.462 2.718 40 0 EFABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)ccn1 ZINC000257249115 535993138 /nfs/dbraw/zinc/99/31/38/535993138.db2.gz JGWNHSVFWWHUPQ-SFHVURJKSA-N 1 0 349.438 2.997 40 0 EFABRO C[N@@H+]1CCC[C@H](c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257244085 536387879 /nfs/dbraw/zinc/38/78/79/536387879.db2.gz IJUGXMYRIJHOAZ-AWEZNQCLSA-N 1 0 330.432 2.945 40 0 EFABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3ncccc3F)CC2)cn1 ZINC000257232217 536421845 /nfs/dbraw/zinc/42/18/45/536421845.db2.gz GJWGELBIHBCDCF-CQSZACIVSA-N 1 0 329.423 2.897 40 0 EFABRO O=C1CC[C@H]2C[N@H+](Cc3cnc4ccccc4n3)CC[C@@H]2N1C1CC1 ZINC000585094322 546371263 /nfs/dbraw/zinc/37/12/63/546371263.db2.gz JIPFRGBLAHOYJW-LIRRHRJNSA-N 1 0 336.439 2.605 40 0 EFABRO COc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC000225579661 568423138 /nfs/dbraw/zinc/42/31/38/568423138.db2.gz FMPHGCZAHOJOAB-IBGZPJMESA-N 1 0 344.455 2.716 40 0 EFABRO CC1CCN(C(=O)[C@@H]2C[N@H+](C)[C@H]3c4cc(F)ccc4OC[C@H]32)CC1 ZINC001772595823 1249166830 /nfs/dbraw/zinc/16/68/30/1249166830.db2.gz MTHWFPYZRKFGGB-RYRKJORJSA-N 1 0 332.419 2.696 40 0 EFABRO Cc1cc2n(n1)C1(CC[NH+](Cc3ccc(F)cc3)CC1)CC(=O)N2C ZINC001772596128 1249170310 /nfs/dbraw/zinc/17/03/10/1249170310.db2.gz JIYUWRKSEOGMGT-UHFFFAOYSA-N 1 0 342.418 2.688 40 0 EFABRO Cc1cc(CN2CCN(Cc3cnc(-c4ccccc4)o3)CC2)on1 ZINC000929102556 1297159231 /nfs/dbraw/zinc/15/92/31/1297159231.db2.gz QAFYYVFUOMSTHJ-UHFFFAOYSA-N 1 0 338.411 2.956 40 0 EFABRO CC(C)Cc1ccccc1C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001332670452 1330998915 /nfs/dbraw/zinc/99/89/15/1330998915.db2.gz UCZONFQIYDPNQK-HXUWFJFHSA-N 1 0 343.471 2.695 40 0 EFABRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)C2 ZINC000892544430 718260713 /nfs/dbraw/zinc/26/07/13/718260713.db2.gz GAIMRZFIKOSJER-JTQLQIEISA-N 1 0 328.363 2.907 40 0 EFABRO Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053348970 214178141 /nfs/dbraw/zinc/17/81/41/214178141.db2.gz UCXCWCMKSRJVAL-MDZDMXLPSA-N 1 0 346.862 2.643 40 0 EFABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 ZINC000257308006 282148319 /nfs/dbraw/zinc/14/83/19/282148319.db2.gz TVBPNUSEZVNXRQ-SFHVURJKSA-N 1 0 345.487 2.892 40 0 EFABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCOCc3ccccc3)O2)n1 ZINC000097953572 219064605 /nfs/dbraw/zinc/06/46/05/219064605.db2.gz XZLMQBMXMPUCHC-KURKYZTESA-N 1 0 343.427 2.889 40 0 EFABRO CC(C)[NH2+]C[C@@H](O)CO[C@H]1c2ccccc2C(=O)N1c1ccccc1 ZINC000004626672 210235624 /nfs/dbraw/zinc/23/56/24/210235624.db2.gz KUHVZVZAYMLXGA-UZLBHIALSA-N 1 0 340.423 2.721 40 0 in-man EFABRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000186874992 529862426 /nfs/dbraw/zinc/86/24/26/529862426.db2.gz XBHWWGUZLOGAAS-ZDUSSCGKSA-N 1 0 331.485 2.762 40 0 EFABRO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Br)C1 ZINC000004276581 210159669 /nfs/dbraw/zinc/15/96/69/210159669.db2.gz HRWPKBAYEVQBLV-STQMWFEESA-N 1 0 328.250 2.921 40 0 EFABRO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)[NH+]1CCCCC1 ZINC000048301468 213915386 /nfs/dbraw/zinc/91/53/86/213915386.db2.gz GAQJNQLSONIPGZ-DYVFJYSZSA-N 1 0 345.443 2.855 40 0 EFABRO O=C(Nc1nnc(CC2CCCC2)s1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000102716374 219224774 /nfs/dbraw/zinc/22/47/74/219224774.db2.gz SGTZWBXHSHKWJU-CQSZACIVSA-N 1 0 347.488 2.749 40 0 EFABRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000102772764 219229637 /nfs/dbraw/zinc/22/96/37/219229637.db2.gz SRIVGZHREQECBQ-ZNMIVQPWSA-N 1 0 349.450 2.589 40 0 EFABRO CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000003201194 209976680 /nfs/dbraw/zinc/97/66/80/209976680.db2.gz UDNXIXXEWZYNCP-UHFFFAOYSA-N 1 0 330.881 2.883 40 0 EFABRO Cc1cccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)c1C ZINC000067698627 215189306 /nfs/dbraw/zinc/18/93/06/215189306.db2.gz KCOLWNUFZNRBIK-MRXNPFEDSA-N 1 0 341.377 2.967 40 0 EFABRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(Cl)o1)C(F)(F)F ZINC000067698770 215189890 /nfs/dbraw/zinc/18/98/90/215189890.db2.gz XNTXOJBGERAXHA-GFCCVEGCSA-N 1 0 337.729 2.596 40 0 EFABRO O=C(c1cc(CC2([NH2+]C3CCCCC3)COC2)no1)N1CCCCC1 ZINC000067898491 215244979 /nfs/dbraw/zinc/24/49/79/215244979.db2.gz GUTKJAABOOLLEN-UHFFFAOYSA-N 1 0 347.459 2.535 40 0 biogenic,in-vitro EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180934144 234034251 /nfs/dbraw/zinc/03/42/51/234034251.db2.gz LIMXGPNKFZCNHR-ILXRZTDVSA-N 1 0 349.479 2.704 40 0 EFABRO Cc1ccc(Br)c(NC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000181640318 234264991 /nfs/dbraw/zinc/26/49/91/234264991.db2.gz DSMPJBQPXAJCKF-UHFFFAOYSA-N 1 0 326.238 2.927 40 0 EFABRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000127870897 222891180 /nfs/dbraw/zinc/89/11/80/222891180.db2.gz BFCNPGUVQKXLFW-ONGXEEELSA-N 1 0 339.212 2.845 40 0 EFABRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC000040115257 213267926 /nfs/dbraw/zinc/26/79/26/213267926.db2.gz RFVQYTHXKKDHTK-UHFFFAOYSA-N 1 0 329.488 2.631 40 0 EFABRO Fc1cccc(CN2Cc3nccn3C[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000096188387 283014128 /nfs/dbraw/zinc/01/41/28/283014128.db2.gz SLWOUQYUEKYLBZ-KRWDZBQOSA-N 1 0 328.435 2.750 40 0 EFABRO COc1ccc(CCNC(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000038489550 213211138 /nfs/dbraw/zinc/21/11/38/213211138.db2.gz YFJJFWMZFBQQCE-UHFFFAOYSA-N 1 0 333.476 2.657 40 0 EFABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC000072374024 283182775 /nfs/dbraw/zinc/18/27/75/283182775.db2.gz BPNWSYIUOBTNHI-INIZCTEOSA-N 1 0 345.491 2.748 40 0 EFABRO COc1ccccc1C[N@H+](CCCn1ccnc1)C[C@@H]1CCOC1 ZINC000036740325 213115242 /nfs/dbraw/zinc/11/52/42/213115242.db2.gz QNRSXRZQERTLCZ-KRWDZBQOSA-N 1 0 329.444 2.821 40 0 EFABRO Cc1noc2nc(C3CC3)cc(C(=O)NC3CC[NH+](C4CC4)CC3)c12 ZINC000036718564 213113458 /nfs/dbraw/zinc/11/34/58/213113458.db2.gz PJUGLBDZBGSLKV-UHFFFAOYSA-N 1 0 340.427 2.765 40 0 EFABRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCC(N)=O ZINC000036612900 213101855 /nfs/dbraw/zinc/10/18/55/213101855.db2.gz XTWZSUUJAGBOSX-CQSZACIVSA-N 1 0 328.412 2.800 40 0 EFABRO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000036079730 213060557 /nfs/dbraw/zinc/06/05/57/213060557.db2.gz DPZYMFHOEGULJY-SFHVURJKSA-N 1 0 330.453 2.802 40 0 EFABRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187652292 236269389 /nfs/dbraw/zinc/26/93/89/236269389.db2.gz AIMXKCVEJKGULI-CYBMUJFWSA-N 1 0 344.908 2.847 40 0 EFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4cc(F)ccc4o3)C2)CC1 ZINC000035446924 213029498 /nfs/dbraw/zinc/02/94/98/213029498.db2.gz HYZNETPEKRVLDZ-ZDUSSCGKSA-N 1 0 331.391 2.767 40 0 biogenic,in-vitro EFABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC3CC3)n2)cn1 ZINC000035425466 213027442 /nfs/dbraw/zinc/02/74/42/213027442.db2.gz IIMHNNYLXKDUKM-HNNXBMFYSA-N 1 0 344.415 2.704 40 0 biogenic,in-vitro EFABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000035424927 213027332 /nfs/dbraw/zinc/02/73/32/213027332.db2.gz DIPRVIQDEKLQGM-AWEZNQCLSA-N 1 0 331.420 2.735 40 0 biogenic,in-vitro EFABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3CC3CC3)n2)ccn1 ZINC000035424836 213026787 /nfs/dbraw/zinc/02/67/87/213026787.db2.gz GSZMBEDOXALDNW-HNNXBMFYSA-N 1 0 344.415 2.704 40 0 biogenic,in-vitro EFABRO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000035052932 213005286 /nfs/dbraw/zinc/00/52/86/213005286.db2.gz FACHZQKKZVGCFY-ZOBUZTSGSA-N 1 0 337.460 2.559 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCCn2ccc3ccccc32)C1 ZINC000129263459 223037344 /nfs/dbraw/zinc/03/73/44/223037344.db2.gz QWHAXKHPPHVKAD-INIZCTEOSA-N 1 0 328.460 2.625 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000000316284 209533450 /nfs/dbraw/zinc/53/34/50/209533450.db2.gz YHFCSJRIQROEQM-OAHLLOKOSA-N 1 0 329.395 2.607 40 0 EFABRO CCn1c(C)[n+](C[C@@H](O)COc2cccc(OC)c2)c2ccccc21 ZINC000000316265 209533248 /nfs/dbraw/zinc/53/32/48/209533248.db2.gz WANZZHHVZZCVKI-MRXNPFEDSA-N 1 0 341.431 2.706 40 0 EFABRO c1cnn(C[C@@H]2C[C@@H]3C[N@H+](CC4CC4)CC[C@@H]3N2c2nccs2)c1 ZINC000107203699 219753286 /nfs/dbraw/zinc/75/32/86/219753286.db2.gz IEQSDFAELFINND-IKGGRYGDSA-N 1 0 343.500 2.719 40 0 EFABRO COCCn1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000072324581 216151203 /nfs/dbraw/zinc/15/12/03/216151203.db2.gz YZIWFRDXIBIWBJ-FUHWJXTLSA-N 1 0 327.472 2.956 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359094 216166331 /nfs/dbraw/zinc/16/63/31/216166331.db2.gz NCQOMZRESFUTPA-OAHLLOKOSA-N 1 0 342.418 2.550 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(OC)c2)C1 ZINC000072358502 216166404 /nfs/dbraw/zinc/16/64/04/216166404.db2.gz BAWOPUSIHODOTI-MRXNPFEDSA-N 1 0 327.428 2.978 40 0 EFABRO COC[C@H]1CN(C(=O)C2CCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354426 216161928 /nfs/dbraw/zinc/16/19/28/216161928.db2.gz TUIOGVRFHWPKRB-LJQANCHMSA-N 1 0 344.499 2.826 40 0 EFABRO Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cncs3)CC2)[nH+]1 ZINC000072368414 216175293 /nfs/dbraw/zinc/17/52/93/216175293.db2.gz TYYFQMVLYRZUEA-UHFFFAOYSA-N 1 0 330.457 2.932 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377553 216178947 /nfs/dbraw/zinc/17/89/47/216178947.db2.gz SRAKQMQWHUNAMJ-OAHLLOKOSA-N 1 0 327.432 2.749 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392935 216190942 /nfs/dbraw/zinc/19/09/42/216190942.db2.gz MNUZZJFPOVMYNQ-MRXNPFEDSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392918 216191669 /nfs/dbraw/zinc/19/16/69/216191669.db2.gz NPXUZFUBBKBAIC-KRWDZBQOSA-N 1 0 347.422 2.607 40 0 EFABRO O=C(NC1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000072667691 216290200 /nfs/dbraw/zinc/29/02/00/216290200.db2.gz NQYQOWMDKQUZKP-OAHLLOKOSA-N 1 0 341.377 2.542 40 0 EFABRO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000153356675 296037269 /nfs/dbraw/zinc/03/72/69/296037269.db2.gz ADEKDESWGLRTFH-HIFRSBDPSA-N 1 0 337.261 2.592 40 0 EFABRO CS(=O)(=O)NC1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000108529435 219900848 /nfs/dbraw/zinc/90/08/48/219900848.db2.gz SFSYKVWKNOYIQQ-UHFFFAOYSA-N 1 0 342.892 2.634 40 0 EFABRO CCn1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cn1 ZINC000073303316 216375739 /nfs/dbraw/zinc/37/57/39/216375739.db2.gz SZZKLHOZCYCUMQ-HNNXBMFYSA-N 1 0 342.443 2.876 40 0 EFABRO COC(=O)c1sc2ccccc2c1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000073362130 216381136 /nfs/dbraw/zinc/38/11/36/216381136.db2.gz JSGBDQPHGDGVKV-LBPRGKRZSA-N 1 0 346.452 2.646 40 0 EFABRO OCC[NH2+]CCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000023263511 212365020 /nfs/dbraw/zinc/36/50/20/212365020.db2.gz LVSIMYLDCCUFCY-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO COCC[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000023127925 212352372 /nfs/dbraw/zinc/35/23/72/212352372.db2.gz USBYAVGLTUWUQO-UHFFFAOYSA-N 1 0 344.377 2.794 40 0 EFABRO C[NH+]1CCN([C@@H](CNC(=O)C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000022794696 212324940 /nfs/dbraw/zinc/32/49/40/212324940.db2.gz TZUQONKMWAIXPZ-IBGZPJMESA-N 1 0 347.478 2.811 40 0 EFABRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000022687773 212317686 /nfs/dbraw/zinc/31/76/86/212317686.db2.gz HLRKSLRFHSDRSD-ZDUSSCGKSA-N 1 0 334.441 2.798 40 0 EFABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000022530424 212306139 /nfs/dbraw/zinc/30/61/39/212306139.db2.gz FNQMSQNJBRNTPC-GOSISDBHSA-N 1 0 334.460 2.845 40 0 EFABRO CCc1oncc1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000225800562 240231845 /nfs/dbraw/zinc/23/18/45/240231845.db2.gz XIPSYKWZJBROEM-UHFFFAOYSA-N 1 0 342.443 2.627 40 0 EFABRO C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499637 240307158 /nfs/dbraw/zinc/30/71/58/240307158.db2.gz SDDHHVVWJBUFNQ-DTWKUNHWSA-N 1 0 335.206 2.688 40 0 EFABRO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000245312455 240252965 /nfs/dbraw/zinc/25/29/65/240252965.db2.gz JIPDLDSRKJOMDY-VQHPVUNQSA-N 1 0 348.491 2.719 40 0 EFABRO O=C(CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000022357151 212293253 /nfs/dbraw/zinc/29/32/53/212293253.db2.gz PWSVYWGKLYYMAG-UHFFFAOYSA-N 1 0 341.430 2.972 40 0 EFABRO CO[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@]12CCCO2 ZINC000257339181 240314223 /nfs/dbraw/zinc/31/42/23/240314223.db2.gz ZAOCUQCHLZFVPC-ICSRJNTNSA-N 1 0 339.439 2.914 40 0 EFABRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2c(C)nn(C)c2C)cc1 ZINC000022130941 212278057 /nfs/dbraw/zinc/27/80/57/212278057.db2.gz KECXBUCVTAVCJJ-UHFFFAOYSA-N 1 0 342.487 2.738 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(C)(CO)CC2)C1 ZINC000195224127 240877922 /nfs/dbraw/zinc/87/79/22/240877922.db2.gz FKLVQPIUMGMLJL-GOSISDBHSA-N 1 0 326.481 2.728 40 0 EFABRO O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000195531118 240987219 /nfs/dbraw/zinc/98/72/19/240987219.db2.gz KXGWHMCVQDKXPE-CYBMUJFWSA-N 1 0 343.254 2.863 40 0 EFABRO COc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c(Br)c1 ZINC000195558777 241006829 /nfs/dbraw/zinc/00/68/29/241006829.db2.gz OARJPKQSLMKIRE-VIFPVBQESA-N 1 0 329.238 2.620 40 0 EFABRO CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000195562162 241011921 /nfs/dbraw/zinc/01/19/21/241011921.db2.gz FCAAIRZFWYLOPY-NUEKZKHPSA-N 1 0 334.464 2.638 40 0 EFABRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)C(F)(F)F ZINC000195577372 241024397 /nfs/dbraw/zinc/02/43/97/241024397.db2.gz FXWDRVDOODGFDE-UMVBOHGHSA-N 1 0 330.394 2.656 40 0 EFABRO C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000022057248 212273780 /nfs/dbraw/zinc/27/37/80/212273780.db2.gz QXIKMOVFJXJCIG-LBPRGKRZSA-N 1 0 330.350 2.933 40 0 EFABRO [NH3+][C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218638068 241336950 /nfs/dbraw/zinc/33/69/50/241336950.db2.gz CNJSFLJDHFMEFR-ILXRZTDVSA-N 1 0 325.792 2.746 40 0 EFABRO [NH3+]C[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662779 241337377 /nfs/dbraw/zinc/33/73/77/241337377.db2.gz NIEWYMNUGXVWDQ-HRCADAONSA-N 1 0 339.819 2.994 40 0 EFABRO COc1ccc(NC(=S)NC2CC[NH+](C)CC2)c2cccnc12 ZINC000225800659 242041107 /nfs/dbraw/zinc/04/11/07/242041107.db2.gz MHEUCMUNBAHNGV-UHFFFAOYSA-N 1 0 330.457 2.624 40 0 EFABRO CCn1c(Cl)nc2cc(C(=O)NCC[NH+]3CCCCC3)ccc21 ZINC000225988098 242083891 /nfs/dbraw/zinc/08/38/91/242083891.db2.gz OYFXLHNTFDBYIO-UHFFFAOYSA-N 1 0 334.851 2.925 40 0 EFABRO COc1cccnc1NC(=S)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225732260 242006963 /nfs/dbraw/zinc/00/69/63/242006963.db2.gz QKJHWCVQEFACNE-ZIAGYGMSSA-N 1 0 336.505 2.745 40 0 EFABRO C[N@@H+]1C[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H](c2ccccc2)C1 ZINC000226751493 242112401 /nfs/dbraw/zinc/11/24/01/242112401.db2.gz XRIYYAKHQNIHSG-KGLIPLIRSA-N 1 0 328.441 2.699 40 0 EFABRO COC(=O)c1ccc(OCCCCCC[NH+]2CCN(C)CC2)cc1 ZINC000021548858 212231994 /nfs/dbraw/zinc/23/19/94/212231994.db2.gz VGZUUBPIGSABQE-UHFFFAOYSA-N 1 0 334.460 2.660 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000245338858 243103600 /nfs/dbraw/zinc/10/36/00/243103600.db2.gz OYGNFFQAQHPKAH-VQHPVUNQSA-N 1 0 349.450 2.541 40 0 EFABRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCOC3)cc2)C1 ZINC000245343959 243103980 /nfs/dbraw/zinc/10/39/80/243103980.db2.gz WQABZQZPXXKHAJ-CVEARBPZSA-N 1 0 332.444 2.772 40 0 EFABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCC(F)(F)C1 ZINC000253397382 243901301 /nfs/dbraw/zinc/90/13/01/243901301.db2.gz PXGWVQDLZKGWST-OAHLLOKOSA-N 1 0 344.446 2.963 40 0 EFABRO c1cc2n(c1)[C@@H](CCOc1ccccn1)C[N@@H+](C1CCOCC1)C2 ZINC000253588727 244025148 /nfs/dbraw/zinc/02/51/48/244025148.db2.gz PTDBQHFDZVJFSR-SFHVURJKSA-N 1 0 327.428 2.888 40 0 EFABRO c1cc2n(c1)[C@@H](COCc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253596593 244030622 /nfs/dbraw/zinc/03/06/22/244030622.db2.gz TTWRIDXECLUHSO-HXUWFJFHSA-N 1 0 341.455 2.883 40 0 EFABRO COc1ccc(CC[NH2+]Cc2cnn(CC(F)F)c2C)cc1OC ZINC000256055197 244066677 /nfs/dbraw/zinc/06/66/77/244066677.db2.gz ZQJQICNWDKRQGD-UHFFFAOYSA-N 1 0 339.386 2.806 40 0 EFABRO COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000257200479 244118791 /nfs/dbraw/zinc/11/87/91/244118791.db2.gz ADNAGPVRGMHQLL-RBUKOAKNSA-N 1 0 330.472 2.987 40 0 EFABRO Cc1cccc(C[N@@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)n1 ZINC000257202885 244125089 /nfs/dbraw/zinc/12/50/89/244125089.db2.gz ANUQNBGOSJGFGJ-QGZVFWFLSA-N 1 0 336.439 2.729 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)c1 ZINC000257217817 244174910 /nfs/dbraw/zinc/17/49/10/244174910.db2.gz DATJJRBSFWXTLU-KRWDZBQOSA-N 1 0 347.365 2.924 40 0 EFABRO CCn1cc(CN2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c(C)n1 ZINC000257217944 244175071 /nfs/dbraw/zinc/17/50/71/244175071.db2.gz DBFNQPMEDVOOIN-SFHVURJKSA-N 1 0 342.491 2.709 40 0 EFABRO CN(C)c1nc([C@H]2CCC[NH2+]C2)ccc1C(=O)NCc1ccccc1 ZINC000257209284 244145778 /nfs/dbraw/zinc/14/57/78/244145778.db2.gz BPTKEHVSBIDCFH-INIZCTEOSA-N 1 0 338.455 2.545 40 0 EFABRO Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000257210300 244147657 /nfs/dbraw/zinc/14/76/57/244147657.db2.gz BUADPFUOMUZLIS-QGZVFWFLSA-N 1 0 326.444 2.800 40 0 EFABRO Cc1ncsc1-c1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cn1 ZINC000257211106 244149526 /nfs/dbraw/zinc/14/95/26/244149526.db2.gz BXNGWUXZPVLLMI-UHFFFAOYSA-N 1 0 344.484 2.927 40 0 EFABRO OCCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)c1 ZINC000257210872 244150122 /nfs/dbraw/zinc/15/01/22/244150122.db2.gz BWMQKOICGGFOJX-SFHVURJKSA-N 1 0 326.440 2.907 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@]1(C)c1ncc(Cc2cccc(F)c2)o1 ZINC000257215110 244163529 /nfs/dbraw/zinc/16/35/29/244163529.db2.gz COSQBGAMDQFMPL-LJQANCHMSA-N 1 0 345.418 2.804 40 0 EFABRO Cn1cncc1CN1CC[N@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257226429 244201526 /nfs/dbraw/zinc/20/15/26/244201526.db2.gz FKORNUUWSSZDND-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3cccc4ncccc43)CCO2)[nH+]1 ZINC000257229313 244207000 /nfs/dbraw/zinc/20/70/00/244207000.db2.gz FXPGYALICZGUHR-LJQANCHMSA-N 1 0 348.406 2.734 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257219830 244180287 /nfs/dbraw/zinc/18/02/87/244180287.db2.gz DIINUAMZRIUUTF-CYBMUJFWSA-N 1 0 340.456 2.696 40 0 EFABRO CNC(=O)c1cc(C[C@H]2CCC[N@H+](Cc3ccccc3)CC2)ncn1 ZINC000257233062 244219255 /nfs/dbraw/zinc/21/92/55/244219255.db2.gz GNOUCPWVGXSCLH-INIZCTEOSA-N 1 0 338.455 2.681 40 0 EFABRO Cn1nccc1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000257235847 244229616 /nfs/dbraw/zinc/22/96/16/244229616.db2.gz GZUCLQXMBVFLBN-LSTHTHJFSA-N 1 0 341.455 2.869 40 0 EFABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[NH2+]4)nc32)cc1 ZINC000257241596 244244365 /nfs/dbraw/zinc/24/43/65/244244365.db2.gz HYQDVHYQBZJDEI-QGZVFWFLSA-N 1 0 336.439 2.997 40 0 EFABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](Cc4cnccn4)C3)ccc12 ZINC000257248144 244263830 /nfs/dbraw/zinc/26/38/30/244263830.db2.gz JCHOBYYAXISMRH-LJQANCHMSA-N 1 0 336.443 2.620 40 0 EFABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000257267088 244363784 /nfs/dbraw/zinc/36/37/84/244363784.db2.gz MFXUEMQWKIQILO-HXUWFJFHSA-N 1 0 339.439 2.934 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)c1 ZINC000257268967 244368789 /nfs/dbraw/zinc/36/87/89/244368789.db2.gz MNZVZWHZAUGOLF-KRWDZBQOSA-N 1 0 329.375 2.785 40 0 EFABRO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cc1 ZINC000257269435 244371392 /nfs/dbraw/zinc/37/13/92/244371392.db2.gz MPXQLJITHYGTPQ-KRWDZBQOSA-N 1 0 325.416 2.744 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)c(OC)c1 ZINC000257261097 244346575 /nfs/dbraw/zinc/34/65/75/244346575.db2.gz LFRWHAPYEUVUDK-WMLDXEAASA-N 1 0 332.444 2.537 40 0 EFABRO Cc1cnccc1C[N@@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257271360 244378988 /nfs/dbraw/zinc/37/89/88/244378988.db2.gz MXZIJWZYUQNNCS-KRWDZBQOSA-N 1 0 334.427 2.745 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)c1 ZINC000257276903 244393660 /nfs/dbraw/zinc/39/36/60/244393660.db2.gz NVPYCTOFWAXDLF-CYBMUJFWSA-N 1 0 335.411 2.938 40 0 EFABRO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H](c4ccnc(C)n4)C3)c2n1 ZINC000257277526 244396447 /nfs/dbraw/zinc/39/64/47/244396447.db2.gz NYHDKQFXYSLENU-MRXNPFEDSA-N 1 0 336.443 2.824 40 0 EFABRO CCc1cc(C[C@H]2CCC[N@H+](CCC(N)=O)CC2)c2cnccc2n1 ZINC000257278315 244396750 /nfs/dbraw/zinc/39/67/50/244396750.db2.gz OBTBTKDPLDPXNV-HNNXBMFYSA-N 1 0 340.471 2.712 40 0 EFABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)c1 ZINC000257278342 244398302 /nfs/dbraw/zinc/39/83/02/244398302.db2.gz OBWQHQKRJWYGFX-KRWDZBQOSA-N 1 0 329.375 2.785 40 0 EFABRO [NH3+]Cc1cn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)cn1 ZINC000257299508 244459367 /nfs/dbraw/zinc/45/93/67/244459367.db2.gz RQJWAKYEDZFIQD-UHFFFAOYSA-N 1 0 340.814 2.914 40 0 EFABRO c1cc(Nc2cnccn2)nc(C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000257321918 244521531 /nfs/dbraw/zinc/52/15/31/244521531.db2.gz WDVLFKQFYZUCFR-UHFFFAOYSA-N 1 0 339.443 2.974 40 0 EFABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)Cc2ccccc2C)n1 ZINC000019709964 212057023 /nfs/dbraw/zinc/05/70/23/212057023.db2.gz KLZKDBLKGISNAN-INIZCTEOSA-N 1 0 339.487 2.926 40 0 EFABRO Cc1cc(-c2cn[nH]c2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019692179 212055212 /nfs/dbraw/zinc/05/52/12/212055212.db2.gz JGDJVCNSGWBBEB-UHFFFAOYSA-N 1 0 336.443 2.893 40 0 EFABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019588550 212049402 /nfs/dbraw/zinc/04/94/02/212049402.db2.gz BXYSHAVMXAXDPP-INIZCTEOSA-N 1 0 342.487 2.751 40 0 EFABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C)C1 ZINC000019588498 212049257 /nfs/dbraw/zinc/04/92/57/212049257.db2.gz WEJXMVOAVXNHRI-IBGZPJMESA-N 1 0 327.428 2.684 40 0 EFABRO Cc1cc(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cs1 ZINC000019571894 212044037 /nfs/dbraw/zinc/04/40/37/212044037.db2.gz CWPYLTKNCZMISH-INIZCTEOSA-N 1 0 342.468 2.860 40 0 EFABRO COc1ccc2ccccc2c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CCO ZINC000019564029 212043895 /nfs/dbraw/zinc/04/38/95/212043895.db2.gz SMYBPMHPKGPSBL-ROUUACIJSA-N 1 0 340.467 2.879 40 0 EFABRO COc1cccc(CN2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c1 ZINC000019565461 212043322 /nfs/dbraw/zinc/04/33/22/212043322.db2.gz SXBIFPOGSPQWGD-UHFFFAOYSA-N 1 0 338.455 2.511 40 0 EFABRO COc1ccc2cc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3CCO)ccc2c1 ZINC000019563983 212043474 /nfs/dbraw/zinc/04/34/74/212043474.db2.gz LHLWQONUZQETQM-UXHICEINSA-N 1 0 340.467 2.879 40 0 EFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575124 212046077 /nfs/dbraw/zinc/04/60/77/212046077.db2.gz HEMNDFAKYONICJ-ZIAGYGMSSA-N 1 0 330.457 2.889 40 0 EFABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575282 212045258 /nfs/dbraw/zinc/04/52/58/212045258.db2.gz ZKMWMTWZZGIFCD-BPQIPLTHSA-N 1 0 349.478 2.971 40 0 EFABRO CCn1ncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1C ZINC000019523989 212037676 /nfs/dbraw/zinc/03/76/76/212037676.db2.gz PKAAEQUZLZYGJD-AEFFLSMTSA-N 1 0 348.397 2.599 40 0 EFABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019503722 212035569 /nfs/dbraw/zinc/03/55/69/212035569.db2.gz KQDLYIANGVHBTP-OAHLLOKOSA-N 1 0 328.416 2.589 40 0 EFABRO CCc1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cn1 ZINC000019523306 212036961 /nfs/dbraw/zinc/03/69/61/212036961.db2.gz XVQVAXGZLDGLRO-XEWABKELSA-N 1 0 338.455 2.554 40 0 EFABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000019496546 212031886 /nfs/dbraw/zinc/03/18/86/212031886.db2.gz KBXPRKJLVVURMI-LLVKDONJSA-N 1 0 346.397 2.679 40 0 EFABRO C[C@H](NC(=O)CCN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458549 212030171 /nfs/dbraw/zinc/03/01/71/212030171.db2.gz AZVBKEOYZLCXOU-ZDUSSCGKSA-N 1 0 349.862 2.901 40 0 EFABRO O=c1cc(-c2cccnc2)nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]1 ZINC000019340261 212017856 /nfs/dbraw/zinc/01/78/56/212017856.db2.gz PVYXRRYJPXUYOO-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc(-c2cccnc2)nc(C2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000019338980 212017659 /nfs/dbraw/zinc/01/76/59/212017659.db2.gz OMMRTVBQQGYJOB-UHFFFAOYSA-N 1 0 347.422 2.607 40 0 EFABRO O=C1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019330847 212016278 /nfs/dbraw/zinc/01/62/78/212016278.db2.gz ODLNKQCYGWUGKH-AEFFLSMTSA-N 1 0 332.350 2.780 40 0 EFABRO Fc1cccc(CN2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293894 212013119 /nfs/dbraw/zinc/01/31/19/212013119.db2.gz QHVLKCBFYHAIMJ-GOSISDBHSA-N 1 0 326.419 2.989 40 0 EFABRO O=C(CCC1CCCC1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292376 212012651 /nfs/dbraw/zinc/01/26/51/212012651.db2.gz ABBHRGFNLWPJIW-INIZCTEOSA-N 1 0 342.487 2.799 40 0 EFABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019291374 212011897 /nfs/dbraw/zinc/01/18/97/212011897.db2.gz USTSSJTWDYBEBH-RTHVDDQRSA-N 1 0 347.409 2.818 40 0 EFABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000019291380 212011928 /nfs/dbraw/zinc/01/19/28/212011928.db2.gz WWEHVDGRVOTKIG-XEWABKELSA-N 1 0 341.455 2.548 40 0 EFABRO Cn1cc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290466 212011458 /nfs/dbraw/zinc/01/14/58/212011458.db2.gz BOGJMOIYEKJRTQ-MAUKXSAKSA-N 1 0 342.393 2.778 40 0 EFABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019286354 212010552 /nfs/dbraw/zinc/01/05/52/212010552.db2.gz SUNSSIBFRXCURX-LSDHHAIUSA-N 1 0 329.831 2.864 40 0 EFABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[nH]1 ZINC000019285272 212010350 /nfs/dbraw/zinc/01/03/50/212010350.db2.gz RNARUPPGFFIUQF-INIZCTEOSA-N 1 0 338.455 2.668 40 0 EFABRO Cc1ccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)s1 ZINC000019216927 212006115 /nfs/dbraw/zinc/00/61/15/212006115.db2.gz PQIQASMLSYCTGB-HNNXBMFYSA-N 1 0 342.468 2.812 40 0 EFABRO COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)o1 ZINC000019216013 212005669 /nfs/dbraw/zinc/00/56/69/212005669.db2.gz CMNMFJHNIYKMEC-CVAIRZPRSA-N 1 0 342.439 2.859 40 0 EFABRO CCS[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000078289480 217038338 /nfs/dbraw/zinc/03/83/38/217038338.db2.gz SPLRMTLHHABSJG-HZPDHXFCSA-N 1 0 325.522 2.977 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000078394328 217047089 /nfs/dbraw/zinc/04/70/89/217047089.db2.gz XCALAKMQEKKWGU-OAHLLOKOSA-N 1 0 329.444 2.638 40 0 EFABRO CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000078553427 217075577 /nfs/dbraw/zinc/07/55/77/217075577.db2.gz YUGZCIPUHQQYTP-UHFFFAOYSA-N 1 0 338.860 2.679 40 0 EFABRO C[C@@H](NCc1cscn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078553299 217075633 /nfs/dbraw/zinc/07/56/33/217075633.db2.gz QGQWBWHBIFPRKZ-CYBMUJFWSA-N 1 0 334.464 2.885 40 0 EFABRO C[C@@H](O)C[NH+](C[C@@H](C)O)[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000004782935 296180190 /nfs/dbraw/zinc/18/01/90/296180190.db2.gz ONNLDWXJRIGIMG-LZJOCLMNSA-N 1 0 341.451 2.603 40 0 EFABRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000078776849 217120024 /nfs/dbraw/zinc/12/00/24/217120024.db2.gz FRLOUXGTMBHJKZ-FQEVSTJZSA-N 1 0 340.471 2.900 40 0 EFABRO O=C(NCC[NH2+]CC1=Cc2ccccc2OC1)c1ccccc1F ZINC000078979840 217163660 /nfs/dbraw/zinc/16/36/60/217163660.db2.gz TYYGTSJFVHZATF-UHFFFAOYSA-N 1 0 326.371 2.621 40 0 EFABRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@H]1CCOC1 ZINC000079036281 217179120 /nfs/dbraw/zinc/17/91/20/217179120.db2.gz VEYFJNBXDQAOAR-QGZVFWFLSA-N 1 0 345.487 2.898 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1 ZINC000079096137 217191811 /nfs/dbraw/zinc/19/18/11/217191811.db2.gz UTKCNWXUVRTRQP-AWEZNQCLSA-N 1 0 345.468 2.773 40 0 EFABRO CS[C@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096306 217191977 /nfs/dbraw/zinc/19/19/77/217191977.db2.gz NYXHOAVFJGWXBX-HUUCEWRRSA-N 1 0 336.501 2.754 40 0 EFABRO Cc1csc(CNC(=O)c2cn(CC[NH+](C)C)c3ccccc23)n1 ZINC000079333732 217210361 /nfs/dbraw/zinc/21/03/61/217210361.db2.gz QMLNBNBQJJIUEF-UHFFFAOYSA-N 1 0 342.468 2.898 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391461 217219145 /nfs/dbraw/zinc/21/91/45/217219145.db2.gz DWGJCVSUVQTRCU-HNNXBMFYSA-N 1 0 341.496 2.606 40 0 EFABRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 ZINC000079361187 217216403 /nfs/dbraw/zinc/21/64/03/217216403.db2.gz MRZNTBPLLSWREB-VQIMIIECSA-N 1 0 347.503 2.619 40 0 EFABRO CC(C)N(CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391834 217218262 /nfs/dbraw/zinc/21/82/62/217218262.db2.gz VQHMNCFCSIYECI-SFHVURJKSA-N 1 0 333.476 2.847 40 0 EFABRO CCN(C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C)C(=O)OC(C)(C)C ZINC000079410183 217222484 /nfs/dbraw/zinc/22/24/84/217222484.db2.gz SXMZWXDNTFYWMU-GJZGRUSLSA-N 1 0 341.496 2.608 40 0 EFABRO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CN(C)CCN1C ZINC000110712331 220060070 /nfs/dbraw/zinc/06/00/70/220060070.db2.gz XCRNYSIYSXLKGC-FQEVSTJZSA-N 1 0 339.483 2.698 40 0 EFABRO C[N@H+](Cc1ccc(Br)c(F)c1)C1CCS(=O)CC1 ZINC000079463144 217229433 /nfs/dbraw/zinc/22/94/33/217229433.db2.gz CLIDVQQGNSGMTD-UHFFFAOYSA-N 1 0 334.254 2.931 40 0 EFABRO Cc1ccc(CCCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000079545910 217239824 /nfs/dbraw/zinc/23/98/24/217239824.db2.gz COXMAWNJRZSUBJ-KRWDZBQOSA-N 1 0 349.544 2.618 40 0 EFABRO C[C@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000079778801 217253638 /nfs/dbraw/zinc/25/36/38/217253638.db2.gz VAFDTSLKQUGORT-HOCLYGCPSA-N 1 0 327.432 2.595 40 0 EFABRO C[C@@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000080230951 217290343 /nfs/dbraw/zinc/29/03/43/217290343.db2.gz QOSYQRQEPYPZQG-HIFRSBDPSA-N 1 0 346.862 2.899 40 0 EFABRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000081331182 217384120 /nfs/dbraw/zinc/38/41/20/217384120.db2.gz TVVJZRFYVJKAJV-LBPRGKRZSA-N 1 0 342.281 2.592 40 0 EFABRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@H](C)c1ccccc1 ZINC000083231923 217535952 /nfs/dbraw/zinc/53/59/52/217535952.db2.gz MGBADACTJOFUTP-JKSUJKDBSA-N 1 0 333.476 2.589 40 0 EFABRO COc1ccc(-c2nc(C)sc2CC(=O)N(C)CC[NH+](C)C)cc1 ZINC000012360913 211355712 /nfs/dbraw/zinc/35/57/12/211355712.db2.gz FIXXOYGXNVLWKW-UHFFFAOYSA-N 1 0 347.484 2.690 40 0 EFABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012362882 211355223 /nfs/dbraw/zinc/35/52/23/211355223.db2.gz YQFBOGJZTBYQPM-SFHVURJKSA-N 1 0 330.472 2.725 40 0 EFABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCC[NH2+]C1 ZINC000012275185 211331322 /nfs/dbraw/zinc/33/13/22/211331322.db2.gz QOUWYSXHSREQHH-GOSISDBHSA-N 1 0 332.375 2.956 40 0 EFABRO Cc1cc(-c2cnc(NCC[NH+](C)C)nc2-c2ccoc2C)on1 ZINC000012251495 211329997 /nfs/dbraw/zinc/32/99/97/211329997.db2.gz NGVDVXRYCOIWTN-UHFFFAOYSA-N 1 0 327.388 2.982 40 0 EFABRO OCCOc1ccc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012240699 211328660 /nfs/dbraw/zinc/32/86/60/211328660.db2.gz DEXWHFPURQPYDC-UHFFFAOYSA-N 1 0 345.414 2.680 40 0 EFABRO Cn1ccnc1-c1cnc(NCCC[NH+](C)C)nc1-c1ccco1 ZINC000012221778 211324082 /nfs/dbraw/zinc/32/40/82/211324082.db2.gz QKHDONJQIHTOFJ-UHFFFAOYSA-N 1 0 326.404 2.501 40 0 EFABRO CCn1ncc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012119258 211297628 /nfs/dbraw/zinc/29/76/28/211297628.db2.gz NURMJZRHQQXONJ-MRXNPFEDSA-N 1 0 340.427 2.956 40 0 EFABRO CC(C)NC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC[NH2+]CC1 ZINC000012156837 211308886 /nfs/dbraw/zinc/30/88/86/211308886.db2.gz NTPLBXJVCADSHO-INIZCTEOSA-N 1 0 347.434 2.603 40 0 EFABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccncc3)cc12 ZINC000012147995 211308196 /nfs/dbraw/zinc/30/81/96/211308196.db2.gz AGQYITZHBJEJHF-UHFFFAOYSA-N 1 0 345.406 2.707 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000012147444 211307928 /nfs/dbraw/zinc/30/79/28/211307928.db2.gz KURVMZXVMYRTKZ-HUUCEWRRSA-N 1 0 341.459 2.570 40 0 EFABRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCOCC[C@H]2C)c1 ZINC000091606995 218031514 /nfs/dbraw/zinc/03/15/14/218031514.db2.gz LFGIHMPANXWZGH-MRXNPFEDSA-N 1 0 333.476 2.849 40 0 EFABRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666335 218157266 /nfs/dbraw/zinc/15/72/66/218157266.db2.gz GOGIOPOTUBKFRB-QZTJIDSGSA-N 1 0 347.551 2.629 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000010051760 211144635 /nfs/dbraw/zinc/14/46/35/211144635.db2.gz KCHDBRQCWCWCCN-HUUCEWRRSA-N 1 0 329.444 2.730 40 0 EFABRO COCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009834039 211126730 /nfs/dbraw/zinc/12/67/30/211126730.db2.gz OFLCXVIZYIDYRL-KRWDZBQOSA-N 1 0 328.412 2.993 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1 ZINC000009834084 211126492 /nfs/dbraw/zinc/12/64/92/211126492.db2.gz RGELVVYLVGWAAW-GOSISDBHSA-N 1 0 334.423 2.905 40 0 EFABRO Cc1ccccc1C[n+]1ccc([C@H](O)[C@@H]2Cn3cccc3C2=O)cc1 ZINC000009498951 211091917 /nfs/dbraw/zinc/09/19/17/211091917.db2.gz AUWRCNIWUAIITK-ICSRJNTNSA-N 1 0 333.411 2.678 40 0 EFABRO CSC[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000093761662 218246632 /nfs/dbraw/zinc/24/66/32/218246632.db2.gz XJSNCNUTARILKG-SFHVURJKSA-N 1 0 347.528 2.683 40 0 EFABRO O=C(c1ccc(Cl)c(Cl)c1)C1CC[NH+](CCOCCO)CC1 ZINC000095399793 218333772 /nfs/dbraw/zinc/33/37/72/218333772.db2.gz QJKRVCSDHMYLAZ-UHFFFAOYSA-N 1 0 346.254 2.897 40 0 EFABRO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000095413132 218350795 /nfs/dbraw/zinc/35/07/95/218350795.db2.gz RJVHIQUVZLCGJI-ZDUSSCGKSA-N 1 0 341.440 2.642 40 0 EFABRO Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1C1CC[NH2+]CC1 ZINC000095427940 218370260 /nfs/dbraw/zinc/37/02/60/218370260.db2.gz LFTHMYOVYAJQSA-UHFFFAOYSA-N 1 0 327.432 2.887 40 0 EFABRO COC[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)C1CC1 ZINC000095421424 218363544 /nfs/dbraw/zinc/36/35/44/218363544.db2.gz ZOQUKRSHAIBAAA-SFHVURJKSA-N 1 0 325.412 2.849 40 0 EFABRO Cc1cccc(N2CCN(CC[NH2+][C@H](C)c3cnccn3)CC2)c1C ZINC000095422174 218364465 /nfs/dbraw/zinc/36/44/65/218364465.db2.gz JXNXUFOSXJGDPL-GOSISDBHSA-N 1 0 339.487 2.566 40 0 EFABRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000095423597 218365978 /nfs/dbraw/zinc/36/59/78/218365978.db2.gz XYJOFDQWOZUOFN-GFCCVEGCSA-N 1 0 345.353 2.670 40 0 EFABRO Cc1ncsc1CNc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000095428975 218372065 /nfs/dbraw/zinc/37/20/65/218372065.db2.gz HXVCDZANAIIHPC-HNNXBMFYSA-N 1 0 344.484 2.761 40 0 EFABRO CN(Cc1ccc(O)cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000095447911 218392271 /nfs/dbraw/zinc/39/22/71/218392271.db2.gz FTCPKYOOECLZRO-UHFFFAOYSA-N 1 0 345.418 2.935 40 0 EFABRO O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054632 218544465 /nfs/dbraw/zinc/54/44/65/218544465.db2.gz RNHYYONPCDKCKI-IRXDYDNUSA-N 1 0 327.453 2.624 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096207585 218682621 /nfs/dbraw/zinc/68/26/21/218682621.db2.gz BNWJMVUCEIXTBU-MRXNPFEDSA-N 1 0 336.863 2.913 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](CN1CCCC1=O)O2 ZINC000096207689 218683381 /nfs/dbraw/zinc/68/33/81/218683381.db2.gz QQEIKZSMWPAZMC-MAUKXSAKSA-N 1 0 349.500 2.588 40 0 EFABRO CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CC[NH+](CC1CCCC1)CC2 ZINC000096261221 218730822 /nfs/dbraw/zinc/73/08/22/218730822.db2.gz WCOZKJPIZLKSDC-SFHVURJKSA-N 1 0 344.503 2.781 40 0 EFABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4C)C[C@@H]32)C1=O ZINC000096261440 218731157 /nfs/dbraw/zinc/73/11/57/218731157.db2.gz RRNQETZUPWRCGJ-WSTZPKSXSA-N 1 0 325.456 2.856 40 0 EFABRO CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)oc(=O)n2C)[NH+](C)C ZINC000096434625 218811720 /nfs/dbraw/zinc/81/17/20/218811720.db2.gz QJJDLPACZDQNBQ-HNNXBMFYSA-N 1 0 348.447 2.619 40 0 EFABRO CC[C@H](CNC(=O)NC1CC[NH+](C)CC1)Oc1ccccc1Cl ZINC000096452302 218835801 /nfs/dbraw/zinc/83/58/01/218835801.db2.gz ZSIIMVLHKYUNDS-CQSZACIVSA-N 1 0 339.867 2.891 40 0 EFABRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000096466983 218846345 /nfs/dbraw/zinc/84/63/45/218846345.db2.gz WXWLQJZDLYVMSR-DLBZAZTESA-N 1 0 347.459 2.504 40 0 EFABRO CSC[C@H](C)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000096456022 218841380 /nfs/dbraw/zinc/84/13/80/218841380.db2.gz PKCLNZISOXPMJR-ARFHVFGLSA-N 1 0 342.549 2.723 40 0 EFABRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000096493453 218870770 /nfs/dbraw/zinc/87/07/70/218870770.db2.gz PBBAPPJVAZJSMZ-OKYOBFRVSA-N 1 0 340.467 2.838 40 0 EFABRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000096494747 218872943 /nfs/dbraw/zinc/87/29/43/218872943.db2.gz GJTWRVSMDOWJJJ-NEPJUHHUSA-N 1 0 329.366 2.728 40 0 EFABRO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004996563 210353978 /nfs/dbraw/zinc/35/39/78/210353978.db2.gz LEFMFIUYTZNGGI-IAOVAPTHSA-N 1 0 330.428 2.886 40 0 EFABRO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866858 210306351 /nfs/dbraw/zinc/30/63/51/210306351.db2.gz BADSCWFHJCUJTF-GOEBONIOSA-N 1 0 349.814 2.509 40 0 EFABRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000097370678 219016227 /nfs/dbraw/zinc/01/62/27/219016227.db2.gz KRKLXICMACZMFQ-LLVKDONJSA-N 1 0 340.395 2.506 40 0 EFABRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1(O)CCC1 ZINC000097373281 219017410 /nfs/dbraw/zinc/01/74/10/219017410.db2.gz IYIQQKTUGBSPDJ-UHFFFAOYSA-N 1 0 336.863 2.583 40 0 EFABRO C[N@@H+](Cc1cc(Br)cc2c1OCC2)C[C@H]1CCOC1 ZINC000097379063 219020118 /nfs/dbraw/zinc/02/01/18/219020118.db2.gz DZQDATOXPUTRJZ-LLVKDONJSA-N 1 0 326.234 2.852 40 0 EFABRO CCN(CC)C(=O)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000004777915 210276570 /nfs/dbraw/zinc/27/65/70/210276570.db2.gz UXUOANAWDGZOES-UHFFFAOYSA-N 1 0 331.460 2.596 40 0 EFABRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000120206232 221512615 /nfs/dbraw/zinc/51/26/15/221512615.db2.gz GETAQJRTCBJUEC-UHFFFAOYSA-N 1 0 348.487 2.840 40 0 EFABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216370 257687846 /nfs/dbraw/zinc/68/78/46/257687846.db2.gz CITOPIJCOKCLLB-MRXNPFEDSA-N 1 0 346.475 2.953 40 0 EFABRO CCc1nnc2ccc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nn21 ZINC000095408829 257834671 /nfs/dbraw/zinc/83/46/71/257834671.db2.gz NNTBNGQUOVPDSS-INIZCTEOSA-N 1 0 342.491 2.779 40 0 EFABRO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](C3CCC3)C[C@@H]21 ZINC000306137635 257923598 /nfs/dbraw/zinc/92/35/98/257923598.db2.gz RBZXFKBPRNAVRJ-HKUYNNGSSA-N 1 0 340.448 2.856 40 0 EFABRO COc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032895 258002434 /nfs/dbraw/zinc/00/24/34/258002434.db2.gz UAFWRUVIBPKRQZ-QFBILLFUSA-N 1 0 340.471 2.828 40 0 EFABRO C/C(=C\c1cccc(C(F)(F)F)c1)CN1CC[NH+](CCO)CC1 ZINC000347631657 533405421 /nfs/dbraw/zinc/40/54/21/533405421.db2.gz FTAAIKYDLCSZEX-SDNWHVSQSA-N 1 0 328.378 2.719 40 0 EFABRO C[NH+]1CCN(c2ccc(N)cc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000226260019 135592606 /nfs/dbraw/zinc/59/26/06/135592606.db2.gz GGUMZEDKLYOGOZ-JXMROGBWSA-N 1 0 336.439 2.673 40 0 EFABRO Cc1ccc(C(=O)CC[NH+]2CCC(CN3CCOCC3)CC2)cc1 ZINC000158700118 225070071 /nfs/dbraw/zinc/07/00/71/225070071.db2.gz GCQLLKXVUCGYNR-UHFFFAOYSA-N 1 0 330.472 2.612 40 0 EFABRO Cc1cc([C@](C)(O)C[NH2+]C2CCN(Cc3cccnc3)CC2)c(C)o1 ZINC000164178508 226052838 /nfs/dbraw/zinc/05/28/38/226052838.db2.gz RWNDGVRBAGNOEI-HXUWFJFHSA-N 1 0 343.471 2.753 40 0 EFABRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1ccoc1)c1ccccc1O2 ZINC000129470456 544645882 /nfs/dbraw/zinc/64/58/82/544645882.db2.gz MWXZRKZHQVTFIO-KRWDZBQOSA-N 1 0 340.423 2.927 40 0 EFABRO CC[NH+](CC)C[C@@H]1Cn2ccnc2CN(CCc2ccccc2)C1 ZINC000096188296 273638385 /nfs/dbraw/zinc/63/83/85/273638385.db2.gz PTVKZMTXKXUYCB-IBGZPJMESA-N 1 0 326.488 2.899 40 0 EFABRO CN(C)C(=O)[C@H]1OC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096058367 273788944 /nfs/dbraw/zinc/78/89/44/273788944.db2.gz HXSMQKWWHJLXII-SFHVURJKSA-N 1 0 340.423 2.930 40 0 EFABRO COc1cc(OC)nc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342353153 274098330 /nfs/dbraw/zinc/09/83/30/274098330.db2.gz VZPDHAMMZDDZLV-OAHLLOKOSA-N 1 0 342.443 2.595 40 0 EFABRO COc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)cc1 ZINC000096046597 274108823 /nfs/dbraw/zinc/10/88/23/274108823.db2.gz PKSXAKKOGOQNPK-UHFFFAOYSA-N 1 0 338.455 2.978 40 0 EFABRO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 ZINC000012183421 274108924 /nfs/dbraw/zinc/10/89/24/274108924.db2.gz WPIMIAZGHYAUBR-UHFFFAOYSA-N 1 0 338.407 2.810 40 0 EFABRO c1cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)co1 ZINC000096061683 275064364 /nfs/dbraw/zinc/06/43/64/275064364.db2.gz ALOVFZUMORXSMG-UXHICEINSA-N 1 0 326.440 2.797 40 0 EFABRO CCO[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCCC2 ZINC000096493347 276344849 /nfs/dbraw/zinc/34/48/49/276344849.db2.gz INSFHJXLXNRJRT-HZPDHXFCSA-N 1 0 332.492 2.874 40 0 EFABRO CN(Cc1c(F)cccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000121236954 276984067 /nfs/dbraw/zinc/98/40/67/276984067.db2.gz HOFZRTDVEBZEKO-UHFFFAOYSA-N 1 0 334.414 2.758 40 0 EFABRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019588518 277054075 /nfs/dbraw/zinc/05/40/75/277054075.db2.gz OAFSVYGDWGIPFC-OAHLLOKOSA-N 1 0 347.422 2.516 40 0 EFABRO C[NH2+]CC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000225471605 277264782 /nfs/dbraw/zinc/26/47/82/277264782.db2.gz SHFTUDUMIMANOW-AMIZOPFISA-N 1 0 329.263 2.568 40 0 EFABRO COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2 ZINC000001578414 277856476 /nfs/dbraw/zinc/85/64/76/277856476.db2.gz BNZWWTDWUHRJGM-UHFFFAOYSA-N 1 0 336.367 2.981 40 0 EFABRO COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3[NH2+]CC2 ZINC000014725347 277856533 /nfs/dbraw/zinc/85/65/33/277856533.db2.gz MULATNABYLUECQ-LBPRGKRZSA-N 1 0 327.380 2.828 40 0 biogenic,in-vitro EFABRO Cc1nc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCC[N@H+]3C)sc1C ZINC000257333996 279096558 /nfs/dbraw/zinc/09/65/58/279096558.db2.gz YEBKDXMQGTWKOU-HUUCEWRRSA-N 1 0 336.505 2.647 40 0 EFABRO O=C([C@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2)N1CCCC1 ZINC000096052185 280143561 /nfs/dbraw/zinc/14/35/61/280143561.db2.gz JUJRAZRCDMXFSD-GOSISDBHSA-N 1 0 346.446 2.677 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000079391454 280271780 /nfs/dbraw/zinc/27/17/80/280271780.db2.gz VUYFTMASJWPWDS-CABCVRRESA-N 1 0 341.496 2.606 40 0 EFABRO C[C@H]1CCc2c(C(=O)Nc3ccnn3CC[NH+](C)C)csc2C1 ZINC000294132228 295116405 /nfs/dbraw/zinc/11/64/05/295116405.db2.gz QEJUHKYYOFVUSA-LBPRGKRZSA-N 1 0 332.473 2.883 40 0 EFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1CCC1(C3)OCCO1 ZINC000001705712 295273009 /nfs/dbraw/zinc/27/30/09/295273009.db2.gz YBAAMDKMCNQZGQ-NZSAHSFTSA-N 1 0 329.440 2.736 40 0 EFABRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245316819 302150870 /nfs/dbraw/zinc/15/08/70/302150870.db2.gz KQUQAUJKYOFORL-AEFFLSMTSA-N 1 0 336.501 2.804 40 0 EFABRO C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2c(O)cccc21 ZINC000333254870 311590256 /nfs/dbraw/zinc/59/02/56/311590256.db2.gz HQGHQAZOOCOVDP-ZFWWWQNUSA-N 1 0 340.427 2.667 40 0 EFABRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230729 323213789 /nfs/dbraw/zinc/21/37/89/323213789.db2.gz XUJUSWYKPOFPKS-GOEBONIOSA-N 1 0 342.480 2.516 40 0 EFABRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234345 323213801 /nfs/dbraw/zinc/21/38/01/323213801.db2.gz BQKIJFBCRAWMNP-NVXWUHKLSA-N 1 0 331.464 2.663 40 0 EFABRO CSCc1cc(F)ccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130309346 323218421 /nfs/dbraw/zinc/21/84/21/323218421.db2.gz OVFWGDSOWMPLIJ-CYBMUJFWSA-N 1 0 339.480 2.782 40 0 EFABRO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc(Cl)c1F ZINC000161559015 323222528 /nfs/dbraw/zinc/22/25/28/323222528.db2.gz SNSDNTSHTHRHRE-HNNXBMFYSA-N 1 0 341.858 2.730 40 0 EFABRO CSc1ccccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000195571815 323529897 /nfs/dbraw/zinc/52/98/97/323529897.db2.gz DYCLHSFZDBEVBP-UHFFFAOYSA-N 1 0 342.530 2.807 40 0 EFABRO COc1ccc(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000390833651 323780046 /nfs/dbraw/zinc/78/00/46/323780046.db2.gz KVVWISBOFUDHPY-UHFFFAOYSA-N 1 0 340.379 2.641 40 0 EFABRO CCOC[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000081494425 473209049 /nfs/dbraw/zinc/20/90/49/473209049.db2.gz LBWBXGHOSRDOOB-IRXDYDNUSA-N 1 0 337.508 2.852 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cn1 ZINC000096039952 473259505 /nfs/dbraw/zinc/25/95/05/473259505.db2.gz ADQWHPHVUMRGFK-WOJBJXKFSA-N 1 0 347.503 2.998 40 0 EFABRO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccsc2)C1 ZINC000096041273 473261802 /nfs/dbraw/zinc/26/18/02/473261802.db2.gz NYKYHZKBHZUOAN-USXIJHARSA-N 1 0 346.452 2.637 40 0 EFABRO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccc2)c1 ZINC000096041844 473263456 /nfs/dbraw/zinc/26/34/56/473263456.db2.gz FGWQXGJKFYEVBY-XUVXKRRUSA-N 1 0 341.455 2.722 40 0 EFABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](CCc3ccccc3)C[C@@H]21)N1CCCC1 ZINC000096043438 473264696 /nfs/dbraw/zinc/26/46/96/473264696.db2.gz WZIFZWJYAGYFFA-VAMGGRTRSA-N 1 0 342.483 2.579 40 0 EFABRO O=C(NCc1ccco1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096043015 473264950 /nfs/dbraw/zinc/26/49/50/473264950.db2.gz QTEFTTNHWRFLSB-BHYGNILZSA-N 1 0 346.452 2.637 40 0 EFABRO CC1CCN(C(=O)[C@H]2C[C@@H]3CC[N@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096042769 473265078 /nfs/dbraw/zinc/26/50/78/473265078.db2.gz BCJLSILNLQNHII-RCCFBDPRSA-N 1 0 348.512 2.986 40 0 EFABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)nn1 ZINC000096048441 473270559 /nfs/dbraw/zinc/27/05/59/473270559.db2.gz NQBVHPHEFQBGNR-WMZOPIPTSA-N 1 0 328.416 2.614 40 0 EFABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268289 /nfs/dbraw/zinc/26/82/89/473268289.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 1 0 328.460 2.810 40 0 EFABRO O=C(Cc1cccnc1)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000096047337 473269342 /nfs/dbraw/zinc/26/93/42/473269342.db2.gz PQBVUBNUMIVFME-UHFFFAOYSA-N 1 0 327.472 2.739 40 0 EFABRO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096048283 473270601 /nfs/dbraw/zinc/27/06/01/473270601.db2.gz HQMFHDUGDMPZQL-RBUKOAKNSA-N 1 0 332.444 2.511 40 0 EFABRO c1cncc(O[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096048264 473270800 /nfs/dbraw/zinc/27/08/00/473270800.db2.gz FPHUCWOELQBEQG-MOPGFXCFSA-N 1 0 325.412 2.679 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000096048656 473271555 /nfs/dbraw/zinc/27/15/55/473271555.db2.gz GAMNPGRGQVRBEP-FQEVSTJZSA-N 1 0 339.439 2.998 40 0 EFABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)nn1 ZINC000096048433 473271884 /nfs/dbraw/zinc/27/18/84/473271884.db2.gz HBVANDHTTWTLFS-YJBOKZPZSA-N 1 0 328.416 2.614 40 0 EFABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096048654 473271944 /nfs/dbraw/zinc/27/19/44/473271944.db2.gz YBAGZHXNRZMMEF-SFHVURJKSA-N 1 0 342.468 2.553 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000096048657 473272357 /nfs/dbraw/zinc/27/23/57/473272357.db2.gz GAMNPGRGQVRBEP-HXUWFJFHSA-N 1 0 339.439 2.998 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3ccco3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050760 473272987 /nfs/dbraw/zinc/27/29/87/473272987.db2.gz VLIIXZOYCWGADD-LJQANCHMSA-N 1 0 340.379 2.637 40 0 EFABRO O=C1C[C@]2(CC[N@H+](Cc3ccco3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050759 473273462 /nfs/dbraw/zinc/27/34/62/473273462.db2.gz VLIIXZOYCWGADD-IBGZPJMESA-N 1 0 340.379 2.637 40 0 EFABRO c1cncc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049559 473273532 /nfs/dbraw/zinc/27/35/32/473273532.db2.gz XMTBGZPBESEEDN-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO O=C([C@@H]1C[N@H+](Cc2cccs2)CC12CCOCC2)N1CCCC1 ZINC000096052174 473275549 /nfs/dbraw/zinc/27/55/49/473275549.db2.gz WRVAIJVKHHVILV-INIZCTEOSA-N 1 0 334.485 2.599 40 0 EFABRO O=S(=O)(N[C@H]1CCC12CC[NH+](CC1CC1)CC2)c1ccccc1 ZINC000096051669 473275667 /nfs/dbraw/zinc/27/56/67/473275667.db2.gz KEWCYSBWILPGSU-KRWDZBQOSA-N 1 0 334.485 2.620 40 0 EFABRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)n1 ZINC000096054035 473275800 /nfs/dbraw/zinc/27/58/00/473275800.db2.gz XKDKAEHIVITBTB-IRXDYDNUSA-N 1 0 327.453 2.827 40 0 EFABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052123 473276212 /nfs/dbraw/zinc/27/62/12/473276212.db2.gz LTCICUIAGVCCTE-MRXNPFEDSA-N 1 0 334.485 2.503 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)o1 ZINC000096053712 473276230 /nfs/dbraw/zinc/27/62/30/473276230.db2.gz NRAIWGJDLGBCQL-YJBOKZPZSA-N 1 0 328.387 2.818 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051175 473276457 /nfs/dbraw/zinc/27/64/57/473276457.db2.gz SDLQFQWGLTVADH-MRXNPFEDSA-N 1 0 334.370 2.807 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)s1 ZINC000096052067 473276636 /nfs/dbraw/zinc/27/66/36/473276636.db2.gz CWWDOTJNCULINI-AEFFLSMTSA-N 1 0 347.484 2.561 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051165 473276716 /nfs/dbraw/zinc/27/67/16/473276716.db2.gz IWZZAPXPOKORIP-INIZCTEOSA-N 1 0 334.370 2.807 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055110 473278017 /nfs/dbraw/zinc/27/80/17/473278017.db2.gz VCDMXQBQZCWDQR-IAGOWNOFSA-N 1 0 329.469 2.618 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055025 473278542 /nfs/dbraw/zinc/27/85/42/473278542.db2.gz QAOGTQNLVVYECZ-DLBZAZTESA-N 1 0 329.469 2.618 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)c4cscn4)C[C@H]3C2)o1 ZINC000096054143 473278892 /nfs/dbraw/zinc/27/88/92/473278892.db2.gz NOTYZXFXVNPIKB-ZIAGYGMSSA-N 1 0 331.441 2.639 40 0 EFABRO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)n1 ZINC000096055077 473279727 /nfs/dbraw/zinc/27/97/27/473279727.db2.gz QZYJRGYUHLKPJL-OALUTQOASA-N 1 0 343.496 2.927 40 0 EFABRO c1csc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055023 473279960 /nfs/dbraw/zinc/27/99/60/473279960.db2.gz QAOGTQNLVVYECZ-IAGOWNOFSA-N 1 0 329.469 2.618 40 0 EFABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccncc2)cs1 ZINC000096056585 473280314 /nfs/dbraw/zinc/28/03/14/473280314.db2.gz VXFUUXGETDOCON-IAGOWNOFSA-N 1 0 342.468 2.612 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)o1 ZINC000096061287 473285178 /nfs/dbraw/zinc/28/51/78/473285178.db2.gz ICPDFRMVVKDAHA-ADLFWFRXSA-N 1 0 346.471 2.874 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)o1 ZINC000096057735 473280718 /nfs/dbraw/zinc/28/07/18/473280718.db2.gz RGDPQVJYRZCMNP-BMGDILEWSA-N 1 0 341.411 2.601 40 0 EFABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1)N1CCCCO1 ZINC000096057398 473282078 /nfs/dbraw/zinc/28/20/78/473282078.db2.gz ROHLCOLWTRXWOC-KURKYZTESA-N 1 0 348.418 2.502 40 0 EFABRO COCCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1ccc(C)s1)C2 ZINC000096059348 473282804 /nfs/dbraw/zinc/28/28/04/473282804.db2.gz WDUKOSYNLTXJAM-HNNXBMFYSA-N 1 0 332.469 2.512 40 0 EFABRO c1csc(C[NH2+]C[C@@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC000096059782 473283913 /nfs/dbraw/zinc/28/39/13/473283913.db2.gz PJXMZGOWVAVKKY-KRWDZBQOSA-N 1 0 340.452 2.792 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccco2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061275 473284796 /nfs/dbraw/zinc/28/47/96/473284796.db2.gz BPZPTDPECSBJIN-UCLAIMLFSA-N 1 0 332.444 2.565 40 0 EFABRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096061660 473285553 /nfs/dbraw/zinc/28/55/53/473285553.db2.gz DYFGCEWRCQIOCT-UXHICEINSA-N 1 0 326.488 2.946 40 0 EFABRO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)co1 ZINC000096064787 473287235 /nfs/dbraw/zinc/28/72/35/473287235.db2.gz FOFXTUQKUUNSEO-QYZOEREBSA-N 1 0 335.444 2.845 40 0 EFABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)N(C)C)C3)CC2)c1 ZINC000096062893 473288027 /nfs/dbraw/zinc/28/80/27/473288027.db2.gz NOLFXTYXOOCCEB-UHFFFAOYSA-N 1 0 331.460 2.665 40 0 EFABRO O=C(c1ccco1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096071137 473289155 /nfs/dbraw/zinc/28/91/55/473289155.db2.gz AZLHBXMUDFUERX-UHFFFAOYSA-N 1 0 325.412 2.803 40 0 EFABRO CCS(=O)(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2F)C1 ZINC000096071284 473289256 /nfs/dbraw/zinc/28/92/56/473289256.db2.gz ODZUEMVOYQSFGJ-QGZVFWFLSA-N 1 0 340.464 2.606 40 0 EFABRO Cc1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)c(Br)c1 ZINC000096483955 473441606 /nfs/dbraw/zinc/44/16/06/473441606.db2.gz CSNOECCPFMWDMS-LLVKDONJSA-N 1 0 334.279 2.670 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1c[nH]cn1)CC2 ZINC000096075291 473291281 /nfs/dbraw/zinc/29/12/81/473291281.db2.gz KNBRAYYYUAFRSZ-UHFFFAOYSA-N 1 0 329.448 2.645 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096077370 473291667 /nfs/dbraw/zinc/29/16/67/473291667.db2.gz VQKHZZIOMSNJEB-IBGZPJMESA-N 1 0 325.412 2.920 40 0 EFABRO COc1ccc(CN2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)cc1 ZINC000096084113 473293147 /nfs/dbraw/zinc/29/31/47/473293147.db2.gz FSKQIACCPOVHPR-UHFFFAOYSA-N 1 0 326.444 2.572 40 0 EFABRO c1csc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cnccn2)n1 ZINC000096081949 473293410 /nfs/dbraw/zinc/29/34/10/473293410.db2.gz KVIRWVZITOHDBZ-RRFJBIMHSA-N 1 0 329.473 2.893 40 0 EFABRO O=C(c1ccncc1)N1C[C@@H]2C[NH+](CCCc3ccccc3)C[C@H]2C1 ZINC000096081019 473293602 /nfs/dbraw/zinc/29/36/02/473293602.db2.gz DVNPBLBFYUDMJF-PMACEKPBSA-N 1 0 335.451 2.718 40 0 EFABRO Cc1ccccc1C(=O)N1CCc2c(C[NH+]3CCCC3)nn(C)c2C1 ZINC000096084172 473293870 /nfs/dbraw/zinc/29/38/70/473293870.db2.gz FJJSZKYKNGUTHE-UHFFFAOYSA-N 1 0 338.455 2.523 40 0 EFABRO O=C(c1ccncc1)N1C[C@@H]2C[NH+](Cc3ccccc3Cl)C[C@H]2C1 ZINC000096081022 473294088 /nfs/dbraw/zinc/29/40/88/473294088.db2.gz LTSLDESIHMXOAN-IRXDYDNUSA-N 1 0 341.842 2.939 40 0 EFABRO Cc1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c(Br)c1 ZINC000096483953 473441590 /nfs/dbraw/zinc/44/15/90/473441590.db2.gz CSNOECCPFMWDMS-NSHDSACASA-N 1 0 334.279 2.670 40 0 EFABRO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096100141 473295769 /nfs/dbraw/zinc/29/57/69/473295769.db2.gz KDERMUPODSJSTH-IBGZPJMESA-N 1 0 325.412 2.803 40 0 EFABRO c1cncc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)c1 ZINC000096106088 473298465 /nfs/dbraw/zinc/29/84/65/473298465.db2.gz DNVUQOHEAUEJMI-LJQANCHMSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)o1 ZINC000096107640 473299558 /nfs/dbraw/zinc/29/95/58/473299558.db2.gz DRDVBZPUDPTNFO-OALUTQOASA-N 1 0 328.412 2.933 40 0 EFABRO c1ccc(O[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096107528 473299737 /nfs/dbraw/zinc/29/97/37/473299737.db2.gz DZOAMVYRYYSCCL-HKUYNNGSSA-N 1 0 325.412 2.679 40 0 EFABRO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000096107564 473300169 /nfs/dbraw/zinc/30/01/69/473300169.db2.gz KMQBBRYVJCYNBE-LPHOPBHVSA-N 1 0 343.402 2.818 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107653 473300760 /nfs/dbraw/zinc/30/07/60/473300760.db2.gz NYHDIXCGFSBIRT-HKUYNNGSSA-N 1 0 325.412 2.597 40 0 EFABRO Cc1nc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccoc2)C3)cs1 ZINC000096108906 473302111 /nfs/dbraw/zinc/30/21/11/473302111.db2.gz UDEFTYFOUBQMCS-WBVHZDCISA-N 1 0 334.441 2.710 40 0 EFABRO Cc1ccsc1C[N@H+]1C[C@H]2CCC[C@@]2(COCC(=O)N(C)C)C1 ZINC000096109175 473302167 /nfs/dbraw/zinc/30/21/67/473302167.db2.gz GJFLZRRTLRZROR-QAPCUYQASA-N 1 0 336.501 2.763 40 0 EFABRO Fc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108786 473302631 /nfs/dbraw/zinc/30/26/31/473302631.db2.gz JZSVWRBQJNZYJD-UYAOXDASSA-N 1 0 349.446 2.717 40 0 EFABRO Cc1csc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)n1 ZINC000096111129 473304316 /nfs/dbraw/zinc/30/43/16/473304316.db2.gz RRPSRBBWECISJA-HNNXBMFYSA-N 1 0 349.500 2.588 40 0 EFABRO O=C(NCC1CC1)[C@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC000096109910 473304435 /nfs/dbraw/zinc/30/44/35/473304435.db2.gz QRSSNDBOIHEEOV-GOSISDBHSA-N 1 0 346.446 2.866 40 0 EFABRO c1csc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)n1 ZINC000096112887 473305822 /nfs/dbraw/zinc/30/58/22/473305822.db2.gz ZFBDHIKALSQHHP-AWEZNQCLSA-N 1 0 326.425 2.695 40 0 biogenic,in-vitro EFABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ncccc2C)COC1 ZINC000096112687 473305927 /nfs/dbraw/zinc/30/59/27/473305927.db2.gz XUJUMCASGVNNAW-AWEZNQCLSA-N 1 0 338.411 2.609 40 0 biogenic,in-vitro EFABRO O=C(CCc1ccccc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000147085338 473306718 /nfs/dbraw/zinc/30/67/18/473306718.db2.gz ROSUVBDNXINGNY-UHFFFAOYSA-N 1 0 330.472 2.626 40 0 EFABRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000162175510 473312954 /nfs/dbraw/zinc/31/29/54/473312954.db2.gz TZYUFVILGXCPOO-UPJWGTAASA-N 1 0 343.290 2.849 40 0 EFABRO Cn1c(C(=O)NCC[NH+](C)C)cc2c1c1ccccc1n2CC1CC1 ZINC000096146486 473313625 /nfs/dbraw/zinc/31/36/25/473313625.db2.gz FGJBJXVAGSYFEM-UHFFFAOYSA-N 1 0 338.455 2.834 40 0 EFABRO Cn1ccnc1C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096157637 473315620 /nfs/dbraw/zinc/31/56/20/473315620.db2.gz WWAOGOYEJQMNBU-UHFFFAOYSA-N 1 0 344.484 2.610 40 0 EFABRO COCCC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096157629 473315853 /nfs/dbraw/zinc/31/58/53/473315853.db2.gz DPMRTCNYUCIAQC-UHFFFAOYSA-N 1 0 330.472 2.846 40 0 EFABRO COc1cccc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096157605 473316434 /nfs/dbraw/zinc/31/64/34/473316434.db2.gz KTARRHFLIRSVSX-UHFFFAOYSA-N 1 0 338.455 2.978 40 0 EFABRO COc1ncccc1C[NH+]1CCC2(CCN(CC(C)C)C2=O)CC1 ZINC000096157731 473316800 /nfs/dbraw/zinc/31/68/00/473316800.db2.gz VGXKSORCQVBQIS-UHFFFAOYSA-N 1 0 331.460 2.561 40 0 EFABRO CCc1cnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)nc1 ZINC000096158086 473317788 /nfs/dbraw/zinc/31/77/88/473317788.db2.gz BGHSUDQZIHYADV-SFHVURJKSA-N 1 0 343.500 2.988 40 0 EFABRO O=C(N1CCCC1)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158396 473318216 /nfs/dbraw/zinc/31/82/16/473318216.db2.gz YNDISVORWAQFMP-UHFFFAOYSA-N 1 0 342.487 2.975 40 0 EFABRO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096158181 473318606 /nfs/dbraw/zinc/31/86/06/473318606.db2.gz ZDDOGURFCWRHAW-SFHVURJKSA-N 1 0 342.468 2.666 40 0 EFABRO Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)nc1 ZINC000096158682 473318943 /nfs/dbraw/zinc/31/89/43/473318943.db2.gz JLIHAJVFFYUARQ-MRXNPFEDSA-N 1 0 342.443 2.638 40 0 EFABRO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4c(C)noc4C)C[C@@H]3C2)cs1 ZINC000096161523 473319155 /nfs/dbraw/zinc/31/91/55/473319155.db2.gz GYHXONOFPBGBRB-GASCZTMLSA-N 1 0 332.473 2.620 40 0 EFABRO Cn1cc(CN2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@H+](C)Cc2cccnc2)cn1 ZINC000096182895 473324310 /nfs/dbraw/zinc/32/43/10/473324310.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 1 0 339.487 2.548 40 0 EFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)N1CC1CCOCC1 ZINC000096186325 473325946 /nfs/dbraw/zinc/32/59/46/473325946.db2.gz ROFYJQLHBWUAFR-IRXDYDNUSA-N 1 0 334.485 2.740 40 0 EFABRO CC(C)[N@@H+]1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 ZINC000096185563 473326980 /nfs/dbraw/zinc/32/69/80/473326980.db2.gz YZBLNEGZLAIEHH-NEWSRXKRSA-N 1 0 347.478 2.701 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(C)nc2)o1 ZINC000096184681 473327159 /nfs/dbraw/zinc/32/71/59/473327159.db2.gz YKFUPPCAWVDJBM-ZWKOTPCHSA-N 1 0 325.412 2.780 40 0 EFABRO CN(Cc1cccnc1)[C@@H]1C[N@H+](Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185996 473327534 /nfs/dbraw/zinc/32/75/34/473327534.db2.gz XYTCOIFIRWIYLT-QRVBRYPASA-N 1 0 327.428 2.538 40 0 EFABRO Cc1cc(C(=O)N2CC[C@H]3[C@H](C[C@@H](C[NH+]4CCCC4)N3C)C2)c(C)o1 ZINC000096185591 473327941 /nfs/dbraw/zinc/32/79/41/473327941.db2.gz HZOSJWKISRJEKA-AOIWGVFYSA-N 1 0 345.487 2.527 40 0 EFABRO O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCCCC2)O1 ZINC000096186991 473328499 /nfs/dbraw/zinc/32/84/99/473328499.db2.gz TXALCYZSEKBNGW-QRVBRYPASA-N 1 0 343.471 2.652 40 0 EFABRO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)N1CC1CCOCC1 ZINC000096186332 473328978 /nfs/dbraw/zinc/32/89/78/473328978.db2.gz NGIYCAGOEQHJPG-OALUTQOASA-N 1 0 346.446 2.818 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)o1 ZINC000096186328 473329243 /nfs/dbraw/zinc/32/92/43/473329243.db2.gz JLJBPORJOJJMJD-OALUTQOASA-N 1 0 346.471 2.834 40 0 EFABRO CC[NH+](CC)C[C@H]1Cn2ccnc2CN(CCc2ccccc2)C1 ZINC000096188297 473331438 /nfs/dbraw/zinc/33/14/38/473331438.db2.gz PTVKZMTXKXUYCB-LJQANCHMSA-N 1 0 326.488 2.899 40 0 EFABRO O=c1ccc2c(n1Cc1ccncc1)CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000096196609 473332375 /nfs/dbraw/zinc/33/23/75/473332375.db2.gz SVUNENMUBZABJR-KRWDZBQOSA-N 1 0 335.407 2.532 40 0 EFABRO Fc1cccc(CN2Cc3nccn3C[C@H](C[NH+]3CCCC3)C2)c1 ZINC000096188386 473330092 /nfs/dbraw/zinc/33/00/92/473330092.db2.gz SLWOUQYUEKYLBZ-QGZVFWFLSA-N 1 0 328.435 2.750 40 0 EFABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096200808 473339036 /nfs/dbraw/zinc/33/90/36/473339036.db2.gz FXPUYSASMDBQIL-UXHICEINSA-N 1 0 344.499 2.965 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1Cc1ccncc1 ZINC000096200993 473339055 /nfs/dbraw/zinc/33/90/55/473339055.db2.gz FDXCAJYMCHDQFN-MSOLQXFVSA-N 1 0 327.403 2.608 40 0 EFABRO Fc1cccc(CN2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202062 473337125 /nfs/dbraw/zinc/33/71/25/473337125.db2.gz KODXQACMGQFYQC-FQEVSTJZSA-N 1 0 348.462 2.529 40 0 EFABRO Cc1ccc(CN2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202040 473337297 /nfs/dbraw/zinc/33/72/97/473337297.db2.gz AAFVJQUIAAJSBB-NRFANRHFSA-N 1 0 344.499 2.698 40 0 EFABRO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3cccs3)C2)C1)c1ccco1 ZINC000096206272 473339999 /nfs/dbraw/zinc/33/99/99/473339999.db2.gz ZTLIWMTZPIUJKR-KBXCAEBGSA-N 1 0 346.452 2.895 40 0 EFABRO COCCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096203116 473340067 /nfs/dbraw/zinc/34/00/67/473340067.db2.gz XIRGNBZNYCVMAY-SFHVURJKSA-N 1 0 336.863 2.801 40 0 EFABRO O=C(NCC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000096206667 473340256 /nfs/dbraw/zinc/34/02/56/473340256.db2.gz NBNZLLSVXKMDQX-QUCCMNQESA-N 1 0 328.456 2.584 40 0 EFABRO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+](C3CCC3)C2)O1)c1ccccc1 ZINC000096206615 473340732 /nfs/dbraw/zinc/34/07/32/473340732.db2.gz RCZXUHXKNXGBEW-AZUAARDMSA-N 1 0 328.456 2.983 40 0 EFABRO Cc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2nc(C)n[nH]2)C1 ZINC000096207379 473342478 /nfs/dbraw/zinc/34/24/78/473342478.db2.gz ZIKJBDMNWQHVIK-KFWWJZLASA-N 1 0 332.473 2.563 40 0 EFABRO CN(C)C(=O)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000096208070 473342722 /nfs/dbraw/zinc/34/27/22/473342722.db2.gz YBQCMHLZFXGKSL-INMHGKMJSA-N 1 0 336.863 2.655 40 0 EFABRO Fc1cccnc1OC[C@H]1Cn2cncc2C[N@@H+](C2CCCC2)C1 ZINC000096209170 473344651 /nfs/dbraw/zinc/34/46/51/473344651.db2.gz ORJUZOIGECJXNB-CQSZACIVSA-N 1 0 330.407 2.871 40 0 EFABRO c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)co1 ZINC000096209754 473344918 /nfs/dbraw/zinc/34/49/18/473344918.db2.gz KQPDBDQICDCMSO-AEFFLSMTSA-N 1 0 328.416 2.553 40 0 EFABRO C[N@@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096209335 473344970 /nfs/dbraw/zinc/34/49/70/473344970.db2.gz APVRFTWYTWMWDO-GOSISDBHSA-N 1 0 343.471 2.577 40 0 EFABRO Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)O1 ZINC000096208468 473345825 /nfs/dbraw/zinc/34/58/25/473345825.db2.gz JLYYKCJSSLIQTC-FXAWDEMLSA-N 1 0 345.487 2.711 40 0 EFABRO c1csc(CN2CCC[C@]3(CC[N@@H+](CCN4CCCC4)C3)C2)n1 ZINC000096215836 473346103 /nfs/dbraw/zinc/34/61/03/473346103.db2.gz XTMMXPHGKUSDQE-GOSISDBHSA-N 1 0 334.533 2.527 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(c3ncc(C)cn3)C2)C1 ZINC000096216005 473347279 /nfs/dbraw/zinc/34/72/79/473347279.db2.gz AVRAJBOBQKYZGR-LJQANCHMSA-N 1 0 341.459 2.882 40 0 EFABRO COc1cc(N2CCC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)ncn1 ZINC000096216592 473348791 /nfs/dbraw/zinc/34/87/91/473348791.db2.gz BISSPXMZHUEFGG-IBGZPJMESA-N 1 0 330.476 2.968 40 0 EFABRO CC(C)C(=O)N[C@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096216362 473347717 /nfs/dbraw/zinc/34/77/17/473347717.db2.gz LIYCGYNPQXQNND-IBGZPJMESA-N 1 0 344.499 2.872 40 0 EFABRO O=C([C@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1)N1CCCO1 ZINC000096216628 473349401 /nfs/dbraw/zinc/34/94/01/473349401.db2.gz VLJANECSAJWXQK-QGZVFWFLSA-N 1 0 348.418 2.503 40 0 EFABRO Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCOCC1)O2 ZINC000096218124 473349996 /nfs/dbraw/zinc/34/99/96/473349996.db2.gz NHKQOPYACDJXRH-UYAOXDASSA-N 1 0 348.462 2.672 40 0 EFABRO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4ccsc4)C[C@H]23)cn1 ZINC000096219479 473350920 /nfs/dbraw/zinc/35/09/20/473350920.db2.gz DQDOMQQXFAIZKO-KBAYOESNSA-N 1 0 330.453 2.977 40 0 EFABRO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc2c1OCO2 ZINC000096218661 473351339 /nfs/dbraw/zinc/35/13/39/473351339.db2.gz NPAGPIPSDCGTKB-APWZRJJASA-N 1 0 331.412 2.575 40 0 EFABRO Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)s1 ZINC000096219891 473353430 /nfs/dbraw/zinc/35/34/30/473353430.db2.gz UNCOPEXVVLFFPF-QFBILLFUSA-N 1 0 348.512 2.877 40 0 EFABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096220688 473354459 /nfs/dbraw/zinc/35/44/59/473354459.db2.gz PGCHWEPENQSWSZ-FXAWDEMLSA-N 1 0 341.455 2.645 40 0 EFABRO Cc1nc(C[N@@H+]2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)cs1 ZINC000096224527 473355284 /nfs/dbraw/zinc/35/52/84/473355284.db2.gz XKNCZFDXKQMBSL-GOSISDBHSA-N 1 0 342.468 2.866 40 0 EFABRO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096224562 473355475 /nfs/dbraw/zinc/35/54/75/473355475.db2.gz ONPLKKXABNBYMZ-KRWDZBQOSA-N 1 0 328.441 2.557 40 0 EFABRO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096224580 473355661 /nfs/dbraw/zinc/35/56/61/473355661.db2.gz NFXLDMDEUSXKIS-IBGZPJMESA-N 1 0 340.402 2.635 40 0 EFABRO c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)cc1 ZINC000096229153 473358299 /nfs/dbraw/zinc/35/82/99/473358299.db2.gz KQWHWRTVAMZIKZ-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)s1 ZINC000096224567 473355911 /nfs/dbraw/zinc/35/59/11/473355911.db2.gz CHNUCXXEKYAWAZ-GOSISDBHSA-N 1 0 342.468 2.866 40 0 EFABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096223641 473356227 /nfs/dbraw/zinc/35/62/27/473356227.db2.gz DBIIQEDIFLRMMA-PMACEKPBSA-N 1 0 339.439 2.988 40 0 EFABRO CC[NH+]1CCC2(CC1)C[C@@H](NCc1cnn(C)c1)c1ccccc1O2 ZINC000096242700 473362824 /nfs/dbraw/zinc/36/28/24/473362824.db2.gz XOJHPVVWCYTYGR-GOSISDBHSA-N 1 0 340.471 2.888 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096228212 473358517 /nfs/dbraw/zinc/35/85/17/473358517.db2.gz KUZMILCQRNCLBS-UHFFFAOYSA-N 1 0 325.412 2.832 40 0 EFABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](C[C@H]2CCOC2)CC3)c1 ZINC000096228253 473359155 /nfs/dbraw/zinc/35/91/55/473359155.db2.gz BGSMHJXDRHHIAK-LJQANCHMSA-N 1 0 342.483 2.989 40 0 EFABRO c1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096229055 473359198 /nfs/dbraw/zinc/35/91/98/473359198.db2.gz UAEKZOHVANEGJB-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC000096229119 473359824 /nfs/dbraw/zinc/35/98/24/473359824.db2.gz WZEDPDPAMYUNAJ-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO O=C(CC[C@H]1CCOC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000177353528 473361341 /nfs/dbraw/zinc/36/13/41/473361341.db2.gz VSIAUWHIKMENTN-INIZCTEOSA-N 1 0 340.533 2.671 40 0 EFABRO CC(C)NC(=O)c1ccc2c(c1)C1(CC[NH+](C(C)C)CC1)C(=O)N2 ZINC000096241434 473361879 /nfs/dbraw/zinc/36/18/79/473361879.db2.gz QNOXLMDMMVEUJD-UHFFFAOYSA-N 1 0 329.444 2.519 40 0 EFABRO COCCNC(=O)C1=CC2(CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000096241610 473362014 /nfs/dbraw/zinc/36/20/14/473362014.db2.gz KTNCWCPEOLNKAA-UHFFFAOYSA-N 1 0 328.456 2.588 40 0 EFABRO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(N(C)C)nc12 ZINC000096244004 473362040 /nfs/dbraw/zinc/36/20/40/473362040.db2.gz NLGZXLKGCMGWNV-HXUWFJFHSA-N 1 0 338.455 2.525 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccncc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239723 473362124 /nfs/dbraw/zinc/36/21/24/473362124.db2.gz XNGUCMVYVJNLLP-KRWDZBQOSA-N 1 0 345.397 2.609 40 0 EFABRO COCC[NH+]1CCC2(C[C@@H](N3CCOCC3)c3ccc(C)cc32)CC1 ZINC000096241754 473362468 /nfs/dbraw/zinc/36/24/68/473362468.db2.gz LTSPMIKKGKMSIY-HXUWFJFHSA-N 1 0 344.499 2.752 40 0 EFABRO CCOC(=O)CN1Cc2ccccc2C2(CC[NH+](C(C)C)CC2)C1 ZINC000096242416 473362672 /nfs/dbraw/zinc/36/26/72/473362672.db2.gz JXSFSYLMVBNQQP-UHFFFAOYSA-N 1 0 330.472 2.807 40 0 EFABRO COCCN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](C(C)C)CC2 ZINC000096261206 473367427 /nfs/dbraw/zinc/36/74/27/473367427.db2.gz FLEKHVMQZONTEZ-GOSISDBHSA-N 1 0 330.472 2.892 40 0 EFABRO COCCN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](C(C)C)CC2 ZINC000096261205 473367645 /nfs/dbraw/zinc/36/76/45/473367645.db2.gz FLEKHVMQZONTEZ-SFHVURJKSA-N 1 0 330.472 2.892 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000096246153 473364786 /nfs/dbraw/zinc/36/47/86/473364786.db2.gz GPSBAVNXHAVTFP-OTWHNJEPSA-N 1 0 328.456 2.568 40 0 EFABRO O=C(c1ccncc1)N1C[C@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245567 473365420 /nfs/dbraw/zinc/36/54/20/473365420.db2.gz OAHKYJBBMWDKNQ-IAGOWNOFSA-N 1 0 341.842 2.939 40 0 EFABRO CC(C)C[N@@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260446 473368045 /nfs/dbraw/zinc/36/80/45/473368045.db2.gz IPWRKRIIRHUGIB-UHFFFAOYSA-N 1 0 332.492 2.660 40 0 EFABRO O=C([C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2CC1CC1)N1CCCC1 ZINC000096262464 473369530 /nfs/dbraw/zinc/36/95/30/473369530.db2.gz AFQPIPVIRUXUAT-UYAOXDASSA-N 1 0 326.440 2.519 40 0 EFABRO COC(=O)N1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000096403757 473380492 /nfs/dbraw/zinc/38/04/92/473380492.db2.gz FAGNDJKPRGIKFO-UHFFFAOYSA-N 1 0 332.322 2.906 40 0 EFABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000096405502 473382976 /nfs/dbraw/zinc/38/29/76/473382976.db2.gz ZXAUDALVQBWXRU-RBUKOAKNSA-N 1 0 342.483 2.941 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000096407628 473385377 /nfs/dbraw/zinc/38/53/77/473385377.db2.gz VRAUXVFFZSRMEU-KDOFPFPSSA-N 1 0 327.403 2.861 40 0 EFABRO NC(=O)[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1 ZINC000096407738 473385733 /nfs/dbraw/zinc/38/57/33/473385733.db2.gz OZENNKVRXDGLSA-SJLPKXTDSA-N 1 0 327.403 2.611 40 0 EFABRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([S@](C)=O)c1)c1ccccc1 ZINC000096410670 473389213 /nfs/dbraw/zinc/38/92/13/473389213.db2.gz SMUCUZKUIUPFLO-BXKMTCNYSA-N 1 0 345.468 2.848 40 0 EFABRO CN(CC1CC[NH+](C)CC1)C(=O)NCCOC1CCCCCC1 ZINC000096411456 473390308 /nfs/dbraw/zinc/39/03/08/473390308.db2.gz ANPKRLPCXRAAHL-UHFFFAOYSA-N 1 0 325.497 2.709 40 0 EFABRO CN1CCC[NH+]=C1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000000020260 471317631 /nfs/dbraw/zinc/31/76/31/471317631.db2.gz DUDKAZCAISNGQN-HXUWFJFHSA-N 1 0 344.455 2.732 40 0 world EFABRO COC(=O)[C@@H]1C[C@@]23C=CC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000000338360 471350009 /nfs/dbraw/zinc/35/00/09/471350009.db2.gz ZHVZVHMDHAWEBG-NWRWZVFGSA-N 1 0 336.435 2.706 40 0 biogenic,in-vitro EFABRO CCOC(=O)C(CCC[n+]1ccc2ccccc2c1)C(=O)OCC ZINC000001578116 471393418 /nfs/dbraw/zinc/39/34/18/471393418.db2.gz OHFTWUSXXPQJCD-UHFFFAOYSA-N 1 0 330.404 2.650 40 0 EFABRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@@](O)(C1=CCCC1)c1ccccc1 ZINC000001641826 471395418 /nfs/dbraw/zinc/39/54/18/471395418.db2.gz HRGZDUGJXKGXRU-ICSRJNTNSA-N 1 0 327.424 2.622 40 0 EFABRO CC(C)[NH2+]C[C@H](O)CO[C@H]1c2ccccc2C(=O)N1c1ccccc1 ZINC000001846387 471399139 /nfs/dbraw/zinc/39/91/39/471399139.db2.gz KUHVZVZAYMLXGA-JXFKEZNVSA-N 1 0 340.423 2.721 40 0 in-man EFABRO [NH3+]CCCCCC(=O)Oc1ccc2c(c1)occ(-c1ccon1)c2=O ZINC000002132712 471402862 /nfs/dbraw/zinc/40/28/62/471402862.db2.gz WKVISAPHXIJJDA-UHFFFAOYSA-N 1 0 342.351 2.873 40 0 biogenic EFABRO COC(=O)[C@H]1C[C@@]23C=CC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]43 ZINC000004016724 471457465 /nfs/dbraw/zinc/45/74/65/471457465.db2.gz JSLDLCGKZDUQSH-JAIPRUMJSA-N 1 0 336.435 2.562 40 0 EFABRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000005720866 471518865 /nfs/dbraw/zinc/51/88/65/471518865.db2.gz HNTWGRBLQRTXAK-KSZLIROESA-N 1 0 335.536 2.830 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 ZINC000006517660 471548686 /nfs/dbraw/zinc/54/86/86/471548686.db2.gz JNLJOWVBCCRMCA-UHFFFAOYSA-N 1 0 348.516 2.688 40 0 EFABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000006922339 471578562 /nfs/dbraw/zinc/57/85/62/471578562.db2.gz IKABFWDQUNRTJA-HNNXBMFYSA-N 1 0 331.412 2.635 40 0 EFABRO Cc1ccccc1C[N@H+](C)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006939105 471579819 /nfs/dbraw/zinc/57/98/19/471579819.db2.gz JALBKWKSWPPHMG-SFHVURJKSA-N 1 0 343.423 2.733 40 0 EFABRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007224764 471599294 /nfs/dbraw/zinc/59/92/94/471599294.db2.gz YRSCEPYBHFNSHI-ZACQAIPSSA-N 1 0 345.487 2.828 40 0 EFABRO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266800 471676641 /nfs/dbraw/zinc/67/66/41/471676641.db2.gz KNUMYPWPQPYLBT-IJEWVQPXSA-N 1 0 329.444 2.625 40 0 EFABRO O=C1NC[C@@]2(CCC[N@H+](CCc3ccccc3)C2)Oc2ccccc21 ZINC000012086789 471764061 /nfs/dbraw/zinc/76/40/61/471764061.db2.gz RBEJOPKINPIWEV-OAQYLSRUSA-N 1 0 336.435 2.886 40 0 EFABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCC[NH2+]C1 ZINC000012157412 471766053 /nfs/dbraw/zinc/76/60/53/471766053.db2.gz KFDMFMOYJPEUJG-BEFAXECRSA-N 1 0 330.428 2.811 40 0 EFABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCC[NH2+]C1 ZINC000012157423 471766278 /nfs/dbraw/zinc/76/62/78/471766278.db2.gz HQJWIOJBPGSGDN-QFBILLFUSA-N 1 0 330.428 2.811 40 0 EFABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCC[NH2+]C1 ZINC000012157402 471766299 /nfs/dbraw/zinc/76/62/99/471766299.db2.gz KFDMFMOYJPEUJG-HNAYVOBHSA-N 1 0 330.428 2.811 40 0 EFABRO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000012240003 471769173 /nfs/dbraw/zinc/76/91/73/471769173.db2.gz ILTQQPNQYFSKCY-CYBMUJFWSA-N 1 0 344.484 2.626 40 0 EFABRO c1ccc(-c2cc(C[NH2+]CCC[C@H]3CCOC3)c3nnnn3c2)cc1 ZINC000012224376 471769413 /nfs/dbraw/zinc/76/94/13/471769413.db2.gz YRFSNOCQZBQJDT-HNNXBMFYSA-N 1 0 337.427 2.698 40 0 EFABRO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291508 471770840 /nfs/dbraw/zinc/77/08/40/471770840.db2.gz WYBAIWKIBFDCCN-IBGZPJMESA-N 1 0 328.456 2.895 40 0 EFABRO CC(C)Cn1cc2c(n1)nc(N1CC[NH2+]CC1)cc2C(F)(F)F ZINC000012398899 471774427 /nfs/dbraw/zinc/77/44/27/471774427.db2.gz NBQLCIFCFKBXMF-UHFFFAOYSA-N 1 0 327.354 2.516 40 0 EFABRO CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000012932490 471807077 /nfs/dbraw/zinc/80/70/77/471807077.db2.gz CZEBNRJIOGUQGK-UHFFFAOYSA-N 1 0 325.412 2.535 40 0 EFABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)on1 ZINC000013226073 471822483 /nfs/dbraw/zinc/82/24/83/471822483.db2.gz NFIQCQLVOZRRFG-STQMWFEESA-N 1 0 334.445 2.717 40 0 EFABRO CC(C)[NH+]1CCC(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000013995995 471847147 /nfs/dbraw/zinc/84/71/47/471847147.db2.gz BPMWEIVVCWFISH-KRWDZBQOSA-N 1 0 336.863 2.880 40 0 EFABRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC000017803906 471964222 /nfs/dbraw/zinc/96/42/22/471964222.db2.gz CACBTTLDUVKCOD-LJQANCHMSA-N 1 0 326.440 2.926 40 0 EFABRO COc1cc(C)ccc1CN1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019134107 471977510 /nfs/dbraw/zinc/97/75/10/471977510.db2.gz YSMYCFBFYMBYPU-SFHVURJKSA-N 1 0 338.455 2.776 40 0 EFABRO O=c1cc(-c2cccnc2)nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401701 471979550 /nfs/dbraw/zinc/97/95/50/471979550.db2.gz GTTRBJRRXJXZGM-MRXNPFEDSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc(-c2cccnc2)nc(C2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000019401577 471979648 /nfs/dbraw/zinc/97/96/48/471979648.db2.gz JUCOMIQVHFESQX-UHFFFAOYSA-N 1 0 347.422 2.607 40 0 EFABRO CC[NH+](CC)C[C@@H]1CCCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000019526355 471982002 /nfs/dbraw/zinc/98/20/02/471982002.db2.gz LUXQCFWWJSRPII-KRWDZBQOSA-N 1 0 331.508 2.631 40 0 EFABRO CCN(C(=O)CCOC)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711618 471983091 /nfs/dbraw/zinc/98/30/91/471983091.db2.gz GIVFUXVRMWSPOG-RBUKOAKNSA-N 1 0 348.487 2.853 40 0 EFABRO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@@H+](CC1CC1)C2 ZINC000019701566 471983612 /nfs/dbraw/zinc/98/36/12/471983612.db2.gz CLLPLSFSQNVTJX-CQSZACIVSA-N 1 0 328.391 2.507 40 0 EFABRO Cc1ccc([C@@H](O)CN2CCO[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000036734424 472005545 /nfs/dbraw/zinc/00/55/45/472005545.db2.gz BOPTVRBZIJZKMO-QUCCMNQESA-N 1 0 332.488 2.524 40 0 EFABRO C[C@H](O)C[NH2+]CCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022075454 472010132 /nfs/dbraw/zinc/01/01/32/472010132.db2.gz YUFOQNSEIZGYIY-HNNXBMFYSA-N 1 0 348.874 2.979 40 0 EFABRO COc1ccccc1CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000040119877 472028235 /nfs/dbraw/zinc/02/82/35/472028235.db2.gz AELAFQINFIBHSG-HOTGVXAUSA-N 1 0 333.476 2.862 40 0 EFABRO CC1(C)CC(NC(=O)c2cccc(N3CCCC3=O)c2)CC(C)(C)[NH2+]1 ZINC000025876456 472115964 /nfs/dbraw/zinc/11/59/64/472115964.db2.gz DIVUYPABXLKLMZ-UHFFFAOYSA-N 1 0 343.471 2.852 40 0 EFABRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000084157324 472152760 /nfs/dbraw/zinc/15/27/60/472152760.db2.gz HILXCUYLIQNYJQ-KGLIPLIRSA-N 1 0 333.398 2.987 40 0 EFABRO CCc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042646341 472154482 /nfs/dbraw/zinc/15/44/82/472154482.db2.gz JOKYDBDFZLKSIS-UHFFFAOYSA-N 1 0 331.460 2.613 40 0 EFABRO CCOc1ccccc1OCC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000075644818 472175652 /nfs/dbraw/zinc/17/56/52/472175652.db2.gz KCTNKKUNXZGTLP-KRWDZBQOSA-N 1 0 348.487 2.649 40 0 EFABRO CN1CC[NH+](C2(CNC(=O)Nc3ccccc3)CCCCC2)CC1 ZINC000028579961 472230431 /nfs/dbraw/zinc/23/04/31/472230431.db2.gz FMGFXXYYMDUZHY-UHFFFAOYSA-N 1 0 330.476 2.758 40 0 EFABRO C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000085456844 472249354 /nfs/dbraw/zinc/24/93/54/472249354.db2.gz CQYLRDKBAXXDPX-YQQAZPJKSA-N 1 0 348.512 2.882 40 0 EFABRO C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CCc4ccccc4O3)CC2)C1 ZINC000085557760 472257006 /nfs/dbraw/zinc/25/70/06/472257006.db2.gz HUYDRWKIFTXXBX-KRWDZBQOSA-N 1 0 328.456 2.715 40 0 EFABRO O=C1[C@@H]([NH2+]Cc2cc[nH]c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000086255234 472277012 /nfs/dbraw/zinc/27/70/12/472277012.db2.gz XEEYPYSSJKUZIC-HNNXBMFYSA-N 1 0 335.354 2.901 40 0 EFABRO O=C1[C@H]([NH2+]Cc2cc[nH]c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000086255236 472277583 /nfs/dbraw/zinc/27/75/83/472277583.db2.gz XEEYPYSSJKUZIC-OAHLLOKOSA-N 1 0 335.354 2.901 40 0 EFABRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000030498169 472334951 /nfs/dbraw/zinc/33/49/51/472334951.db2.gz POEKYVHKCQPSBH-UHFFFAOYSA-N 1 0 330.453 2.761 40 0 EFABRO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000031666939 472387426 /nfs/dbraw/zinc/38/74/26/472387426.db2.gz AWINOKBACWJRJM-HXUWFJFHSA-N 1 0 340.467 2.865 40 0 EFABRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)c1 ZINC000031666935 472387446 /nfs/dbraw/zinc/38/74/46/472387446.db2.gz NVGPLPBRBMMJNX-FQEVSTJZSA-N 1 0 340.467 2.865 40 0 EFABRO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)cc1 ZINC000031666744 472387931 /nfs/dbraw/zinc/38/79/31/472387931.db2.gz DCFXLFCESPOVKE-FQEVSTJZSA-N 1 0 340.467 2.865 40 0 EFABRO Cc1ccc(F)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441189 472437208 /nfs/dbraw/zinc/43/72/08/472437208.db2.gz DIQJGOVLBDMMOU-KBPBESRZSA-N 1 0 328.453 2.675 40 0 EFABRO c1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc2c1OCC2 ZINC000097103454 472447273 /nfs/dbraw/zinc/44/72/73/472447273.db2.gz SATJHKJSRFJXMF-INIZCTEOSA-N 1 0 341.411 2.987 40 0 EFABRO C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000097104544 472448634 /nfs/dbraw/zinc/44/86/34/472448634.db2.gz VRTXQBOWIYCPIF-OAHLLOKOSA-N 1 0 342.443 2.553 40 0 EFABRO C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000097104545 472449126 /nfs/dbraw/zinc/44/91/26/472449126.db2.gz VRTXQBOWIYCPIF-HNNXBMFYSA-N 1 0 342.443 2.553 40 0 EFABRO C[C@@H](c1ccccc1)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000032879839 472476636 /nfs/dbraw/zinc/47/66/36/472476636.db2.gz ZDSWWHIYZVVGNI-SFHVURJKSA-N 1 0 337.467 2.682 40 0 EFABRO C[NH+](C)[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000057838491 472482626 /nfs/dbraw/zinc/48/26/26/472482626.db2.gz BJHRSSWEQWHREF-NSHDSACASA-N 1 0 336.379 2.511 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234792 472486608 /nfs/dbraw/zinc/48/66/08/472486608.db2.gz DSKPNXWXOUYROV-SNPRPXQTSA-N 1 0 349.479 2.799 40 0 EFABRO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccncc2)cc1C ZINC000097370686 472491739 /nfs/dbraw/zinc/49/17/39/472491739.db2.gz LMOZTMKCFWAHIA-CQSZACIVSA-N 1 0 326.400 2.697 40 0 EFABRO CCC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cnn(C)c1 ZINC000077283615 472492480 /nfs/dbraw/zinc/49/24/80/472492480.db2.gz GSMFBGNZRZTDRA-UHFFFAOYSA-N 1 0 325.416 2.925 40 0 EFABRO Cc1nc([C@@H](NC2CC[NH+](C)CC2)c2ccc(Cl)c(F)c2)no1 ZINC000097378243 472495123 /nfs/dbraw/zinc/49/51/23/472495123.db2.gz UGCBBHXFOFAQHL-HNNXBMFYSA-N 1 0 338.814 2.944 40 0 EFABRO C[C@@H]1CC[C@H]([NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)C[C@@H]1C ZINC000097379721 472495216 /nfs/dbraw/zinc/49/52/16/472495216.db2.gz PANPJNAPCFQZKI-UKTARXLSSA-N 1 0 333.398 2.974 40 0 EFABRO CC[N@@H+]1CCC[C@@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000046087868 472510518 /nfs/dbraw/zinc/51/05/18/472510518.db2.gz PFVZJFGECIWPMA-IBGZPJMESA-N 1 0 331.435 2.512 40 0 EFABRO COc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000070928396 472525366 /nfs/dbraw/zinc/52/53/66/472525366.db2.gz QAHWUOQOZCZGLY-UHFFFAOYSA-N 1 0 325.412 2.737 40 0 EFABRO CC(C)C[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000071606592 472553300 /nfs/dbraw/zinc/55/33/00/472553300.db2.gz NVEPLQDORJSXRO-IRXDYDNUSA-N 1 0 336.476 2.729 40 0 EFABRO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119792862 472583649 /nfs/dbraw/zinc/58/36/49/472583649.db2.gz XHLUCVKDTXCKEX-AWEZNQCLSA-N 1 0 329.448 2.715 40 0 EFABRO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119792718 472584005 /nfs/dbraw/zinc/58/40/05/472584005.db2.gz XHLUCVKDTXCKEX-CQSZACIVSA-N 1 0 329.448 2.715 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216340 472635147 /nfs/dbraw/zinc/63/51/47/472635147.db2.gz AIDGGMOGTVXPPN-HNNXBMFYSA-N 1 0 332.448 2.563 40 0 EFABRO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000047032949 472646523 /nfs/dbraw/zinc/64/65/23/472646523.db2.gz JHUWNPUQQDDCMH-SFHVURJKSA-N 1 0 348.443 2.941 40 0 EFABRO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1C[C@H]1CCCO1 ZINC000072324531 472661380 /nfs/dbraw/zinc/66/13/80/472661380.db2.gz GHPVEBCLVHQZML-FFZOFVMBSA-N 1 0 331.504 2.952 40 0 EFABRO Cc1ccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)C[NH3+])n2)cc1 ZINC000072363216 472663183 /nfs/dbraw/zinc/66/31/83/472663183.db2.gz GLGMORRRDPQBLR-MRXNPFEDSA-N 1 0 340.427 2.898 40 0 EFABRO CCn1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000091013908 472675186 /nfs/dbraw/zinc/67/51/86/472675186.db2.gz FYHIKDKGUPDYFX-WBVHZDCISA-N 1 0 326.444 2.728 40 0 EFABRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n2ncnc2n1 ZINC000078338111 472698530 /nfs/dbraw/zinc/69/85/30/472698530.db2.gz QJLQQKPCMNBFNY-BBRMVZONSA-N 1 0 342.472 2.989 40 0 EFABRO C[C@@H](CNC(=O)N[C@@H](C)c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000048069259 472808983 /nfs/dbraw/zinc/80/89/83/472808983.db2.gz KEGBZQNPBPUPRN-HOTGVXAUSA-N 1 0 338.455 2.889 40 0 EFABRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000091856735 472818182 /nfs/dbraw/zinc/81/81/82/472818182.db2.gz XYDVXPXUQXMDIL-GFCCVEGCSA-N 1 0 349.818 2.671 40 0 EFABRO CC[C@@H]1c2ccccc2CCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000073678758 472851415 /nfs/dbraw/zinc/85/14/15/472851415.db2.gz ZJVWMGYQYIOMGK-LJQANCHMSA-N 1 0 329.488 2.550 40 0 EFABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000048303121 472852806 /nfs/dbraw/zinc/85/28/06/472852806.db2.gz SYBFTQSYUZTMNH-BXWFABGCSA-N 1 0 330.472 2.960 40 0 EFABRO COC(=O)c1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000048326315 472857104 /nfs/dbraw/zinc/85/71/04/472857104.db2.gz ORKKBJFDLPYQPL-KBPBESRZSA-N 1 0 333.432 2.715 40 0 EFABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)o1 ZINC000049170454 472933461 /nfs/dbraw/zinc/93/34/61/472933461.db2.gz VGYZJMKDFZDVNM-LBPRGKRZSA-N 1 0 345.353 2.738 40 0 biogenic,in-vitro EFABRO Fc1cccnc1N[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccnc1)C2 ZINC000107228481 472935122 /nfs/dbraw/zinc/93/51/22/472935122.db2.gz QPMYOHBLITWRLZ-VQIMIIECSA-N 1 0 342.418 2.851 40 0 EFABRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000065514722 472961320 /nfs/dbraw/zinc/96/13/20/472961320.db2.gz CESIPWNCKGHGNU-INIZCTEOSA-N 1 0 347.418 2.945 40 0 EFABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000107746776 472979397 /nfs/dbraw/zinc/97/93/97/472979397.db2.gz GESCCDCBNGHGCD-MSOLQXFVSA-N 1 0 343.496 2.927 40 0 EFABRO O=C(c1cscn1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798350 472982541 /nfs/dbraw/zinc/98/25/41/472982541.db2.gz KCMRLOYMRIECIP-DOTOQJQBSA-N 1 0 327.453 2.532 40 0 EFABRO CC(C)(C)/C=C/C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000074565900 473029158 /nfs/dbraw/zinc/02/91/58/473029158.db2.gz JIKHGUWLHXZFMG-ZNFPLGDCSA-N 1 0 343.471 2.925 40 0 EFABRO CCO[C@@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C12CCC2 ZINC000074605483 473034557 /nfs/dbraw/zinc/03/45/57/473034557.db2.gz LCUWXJGMXHFEFD-DLBZAZTESA-N 1 0 335.492 2.604 40 0 EFABRO CCO[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C12CCC2 ZINC000074605487 473034989 /nfs/dbraw/zinc/03/49/89/473034989.db2.gz LCUWXJGMXHFEFD-IAGOWNOFSA-N 1 0 335.492 2.604 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCC2(CC(NC(=O)c3ccncc3)C2)C1 ZINC000108531822 473035222 /nfs/dbraw/zinc/03/52/22/473035222.db2.gz YLHCQWHSHYHGPR-UHFFFAOYSA-N 1 0 342.468 2.631 40 0 EFABRO COCCN1CCCC2(CC[NH+](Cc3cccc(F)c3C)CC2)C1=O ZINC000108528721 473035639 /nfs/dbraw/zinc/03/56/39/473035639.db2.gz OPEMXOYVJUBJFJ-UHFFFAOYSA-N 1 0 348.462 2.985 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000108530801 473036030 /nfs/dbraw/zinc/03/60/30/473036030.db2.gz GHPUNOUHEONLGO-SJLPKXTDSA-N 1 0 349.425 2.988 40 0 EFABRO COc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108527069 473036455 /nfs/dbraw/zinc/03/64/55/473036455.db2.gz CAWRHIMPIGMXPX-YLJYHZDGSA-N 1 0 343.471 2.705 40 0 EFABRO Cc1cccc(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)c1C ZINC000074920957 473094534 /nfs/dbraw/zinc/09/45/34/473094534.db2.gz UIFHKLWEEJBBDD-UHFFFAOYSA-N 1 0 329.488 2.684 40 0 EFABRO Cc1cc(C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)no1 ZINC000075149133 473140896 /nfs/dbraw/zinc/14/08/96/473140896.db2.gz ZKMJPCHTMVGIMF-QGZVFWFLSA-N 1 0 326.400 2.507 40 0 EFABRO C[C@@H](O)[C@@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000093988911 473167248 /nfs/dbraw/zinc/16/72/48/473167248.db2.gz HEAMQJPTMYQEJN-CHWSQXEVSA-N 1 0 328.250 2.921 40 0 EFABRO Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)no1 ZINC000110686009 473171622 /nfs/dbraw/zinc/17/16/22/473171622.db2.gz NAZLVLZCJLFUDR-MLGOLLRUSA-N 1 0 343.431 2.849 40 0 EFABRO C[C@@H](NC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000095404579 473198163 /nfs/dbraw/zinc/19/81/63/473198163.db2.gz IAOOVWUVZNIAMS-SWKXRBFHSA-N 1 0 347.507 2.823 40 0 EFABRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](c1cnn(C)c1)N(C)C ZINC000095422633 473201499 /nfs/dbraw/zinc/20/14/99/473201499.db2.gz LKGFPLKSJHXDAJ-QZTJIDSGSA-N 1 0 328.460 2.835 40 0 EFABRO C[C@@H]([NH2+]Cc1cccnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC000095421771 473201524 /nfs/dbraw/zinc/20/15/24/473201524.db2.gz JMFPVLVYZOLRDW-HIFRSBDPSA-N 1 0 344.484 2.696 40 0 EFABRO CSCC[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000096413109 473392452 /nfs/dbraw/zinc/39/24/52/473392452.db2.gz KYCNUUSTHNKUOK-GFCCVEGCSA-N 1 0 327.469 2.828 40 0 EFABRO C[C@@H]1C[C@@H](N(C)C(=O)COCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000096413965 473393385 /nfs/dbraw/zinc/39/33/85/473393385.db2.gz GSJZLFRBJYMDHX-APWZRJJASA-N 1 0 330.472 2.925 40 0 EFABRO Cc1cc(NC(=O)c2cnccn2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190789070 473393777 /nfs/dbraw/zinc/39/37/77/473393777.db2.gz YCVMRONFCHJREB-UHFFFAOYSA-N 1 0 339.443 2.568 40 0 EFABRO CC(C)[C@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[NH+](C)C ZINC000096417209 473395976 /nfs/dbraw/zinc/39/59/76/473395976.db2.gz KCWPNBDYENQVDR-RHSMWYFYSA-N 1 0 337.439 2.941 40 0 EFABRO CC(C)[C@@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[NH+](C)C ZINC000096417208 473396176 /nfs/dbraw/zinc/39/61/76/473396176.db2.gz KCWPNBDYENQVDR-PBHICJAKSA-N 1 0 337.439 2.941 40 0 EFABRO Cn1cc([C@@H]2C[C@@H]2C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000096416793 473396261 /nfs/dbraw/zinc/39/62/61/473396261.db2.gz FBQPFBLCORLHIN-OALUTQOASA-N 1 0 338.455 2.653 40 0 EFABRO Cc1ccc(F)c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000096418501 473397819 /nfs/dbraw/zinc/39/78/19/473397819.db2.gz BTDJBOPVINLODI-UHFFFAOYSA-N 1 0 329.375 2.547 40 0 EFABRO Cc1c(Cl)cc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000096420156 473399626 /nfs/dbraw/zinc/39/96/26/473399626.db2.gz YOQCKMFBAONJOK-UHFFFAOYSA-N 1 0 346.258 2.880 40 0 EFABRO COc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000096423084 473401214 /nfs/dbraw/zinc/40/12/14/473401214.db2.gz VDYFGYFKLJHHTM-XJKSGUPXSA-N 1 0 345.468 2.965 40 0 EFABRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)n1cccn1 ZINC000096423082 473401560 /nfs/dbraw/zinc/40/15/60/473401560.db2.gz ZKCXIAUNGKQOHT-FMKPAKJESA-N 1 0 332.473 2.705 40 0 EFABRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nc(C)ncc2Cl)c1 ZINC000096425111 473403633 /nfs/dbraw/zinc/40/36/33/473403633.db2.gz CGYBBIZKUQPWGM-UHFFFAOYSA-N 1 0 346.862 2.951 40 0 EFABRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000096428232 473408013 /nfs/dbraw/zinc/40/80/13/473408013.db2.gz SWBYJJDDYXSHNL-RHSMWYFYSA-N 1 0 347.484 2.586 40 0 EFABRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000096428231 473408178 /nfs/dbraw/zinc/40/81/78/473408178.db2.gz SWBYJJDDYXSHNL-PBHICJAKSA-N 1 0 347.484 2.586 40 0 EFABRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000096434837 473413774 /nfs/dbraw/zinc/41/37/74/473413774.db2.gz FDEFCIJSSJLEBP-CQSZACIVSA-N 1 0 327.432 2.882 40 0 EFABRO Cc1n[nH]cc1CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000096436276 473415233 /nfs/dbraw/zinc/41/52/33/473415233.db2.gz OWRRRDMGCDLZIO-UHFFFAOYSA-N 1 0 340.427 2.889 40 0 EFABRO Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000096435740 473415730 /nfs/dbraw/zinc/41/57/30/473415730.db2.gz VSDZVYOFASOKCR-GOSISDBHSA-N 1 0 339.439 2.774 40 0 EFABRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000096447080 473425405 /nfs/dbraw/zinc/42/54/05/473425405.db2.gz PNXNIBVSZNQJBE-IBGZPJMESA-N 1 0 330.472 2.892 40 0 EFABRO Cc1nn(C)c(C)c1C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000096447833 473426626 /nfs/dbraw/zinc/42/66/26/473426626.db2.gz FRWZQLOMMPVBBC-UHFFFAOYSA-N 1 0 328.247 2.940 40 0 EFABRO Cc1cccc([C@@H](C)NC(=O)NCCN2CCC([NH+](C)C)CC2)c1C ZINC000096452356 473428676 /nfs/dbraw/zinc/42/86/76/473428676.db2.gz XOOUXBFHXBSWPN-QGZVFWFLSA-N 1 0 346.519 2.690 40 0 EFABRO C[S@](=O)c1ccc(C[NH2+]Cc2cccc(-n3ccnc3)c2)cc1 ZINC000096461186 473433735 /nfs/dbraw/zinc/43/37/35/473433735.db2.gz DMZXWOSWKXYAPW-HSZRJFAPSA-N 1 0 325.437 2.900 40 0 EFABRO O=C(CCOC1CCOCC1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000096460671 473433803 /nfs/dbraw/zinc/43/38/03/473433803.db2.gz HLIYOVZPQAJTFZ-QGZVFWFLSA-N 1 0 344.455 2.583 40 0 EFABRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000096476007 473439172 /nfs/dbraw/zinc/43/91/72/473439172.db2.gz SNPZSEBPSANLSW-YOEHRIQHSA-N 1 0 346.475 2.501 40 0 EFABRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476455 473439748 /nfs/dbraw/zinc/43/97/48/473439748.db2.gz DHOJUGKNSLRKBS-KXBFYZLASA-N 1 0 329.419 2.945 40 0 EFABRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000096479288 473440791 /nfs/dbraw/zinc/44/07/91/473440791.db2.gz HEBOVJSZCSHYDP-CJNGLKHVSA-N 1 0 340.514 2.773 40 0 EFABRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000096478538 473441035 /nfs/dbraw/zinc/44/10/35/473441035.db2.gz SGJIPZHUAOZXMO-CHWSQXEVSA-N 1 0 349.500 2.722 40 0 EFABRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000096481286 473441462 /nfs/dbraw/zinc/44/14/62/473441462.db2.gz CQPUWCKSAKXXDN-MDASCCDHSA-N 1 0 342.414 2.684 40 0 EFABRO COC[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485948 473444586 /nfs/dbraw/zinc/44/45/86/473444586.db2.gz FEPMXSHENAYPHZ-PVXIVEMSSA-N 1 0 342.842 2.871 40 0 EFABRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000096485569 473445076 /nfs/dbraw/zinc/44/50/76/473445076.db2.gz SYAVMTSBIDGSMN-JOYOIKCWSA-N 1 0 329.213 2.722 40 0 EFABRO C[C@H](CCNC(=O)N1CCOCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000096490529 473446168 /nfs/dbraw/zinc/44/61/68/473446168.db2.gz KTNMVUBAXXZAAG-SJORKVTESA-N 1 0 333.476 2.717 40 0 EFABRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000096491565 473447796 /nfs/dbraw/zinc/44/77/96/473447796.db2.gz PBJLHORNCRPZAF-IAGOWNOFSA-N 1 0 332.469 2.723 40 0 EFABRO C[C@@H](CS(C)(=O)=O)[NH2+]CC1(c2ccccc2Br)CC1 ZINC000096491667 473447973 /nfs/dbraw/zinc/44/79/73/473447973.db2.gz RQZYWLIPXYQQEA-NSHDSACASA-N 1 0 346.290 2.503 40 0 EFABRO CCN(C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1)CC(F)(F)F ZINC000096493088 473448761 /nfs/dbraw/zinc/44/87/61/473448761.db2.gz MLRGYOLSODOXHV-XKQJLSEDSA-N 1 0 342.405 2.851 40 0 EFABRO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000096493021 473449019 /nfs/dbraw/zinc/44/90/19/473449019.db2.gz DLJWKIZEFOKXEL-KRWDZBQOSA-N 1 0 332.444 2.554 40 0 EFABRO COc1cccc2cc([C@H](C)[NH2+]CC3CCS(=O)(=O)CC3)oc21 ZINC000096493493 473449351 /nfs/dbraw/zinc/44/93/51/473449351.db2.gz CLJFKJHGZFXAGY-LBPRGKRZSA-N 1 0 337.441 2.917 40 0 EFABRO CCOC(=O)N1CCC([NH2+][C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000096495247 473450118 /nfs/dbraw/zinc/45/01/18/473450118.db2.gz HSFMIAPQZKTNHS-INIZCTEOSA-N 1 0 345.447 2.637 40 0 EFABRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000096494728 473450128 /nfs/dbraw/zinc/45/01/28/473450128.db2.gz OJWDBIMJXXMDKB-PWSUYJOCSA-N 1 0 341.377 2.871 40 0 EFABRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000096494731 473450793 /nfs/dbraw/zinc/45/07/93/473450793.db2.gz OJWDBIMJXXMDKB-CMPLNLGQSA-N 1 0 341.377 2.871 40 0 EFABRO Cc1cnccc1CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096500583 473452749 /nfs/dbraw/zinc/45/27/49/473452749.db2.gz GIYAOVZRINYMLA-WMZOPIPTSA-N 1 0 344.503 2.885 40 0 EFABRO C[N@H+](CCCO)C1CCN(C(=O)NCC2(C)CCCCCC2)CC1 ZINC000096502894 473454809 /nfs/dbraw/zinc/45/48/09/473454809.db2.gz FABFDHQVDLZODH-UHFFFAOYSA-N 1 0 339.524 2.835 40 0 EFABRO C[NH+](C)C1CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000096502779 473455325 /nfs/dbraw/zinc/45/53/25/473455325.db2.gz WNFZNNIUIKSICQ-UHFFFAOYSA-N 1 0 338.411 2.717 40 0 EFABRO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191109484 473480298 /nfs/dbraw/zinc/48/02/98/473480298.db2.gz YXHVYHFFNTVERN-SNVBAGLBSA-N 1 0 340.196 2.945 40 0 EFABRO Brc1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000191124047 473484183 /nfs/dbraw/zinc/48/41/83/473484183.db2.gz NYVCFNLKOCGQAB-GFCCVEGCSA-N 1 0 343.265 2.633 40 0 EFABRO Cc1cc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000172044219 473509105 /nfs/dbraw/zinc/50/91/05/473509105.db2.gz UFXFEYLEJNGVNX-UHFFFAOYSA-N 1 0 347.846 2.960 40 0 EFABRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)cnn1C(C)C ZINC000191371000 473532788 /nfs/dbraw/zinc/53/27/88/473532788.db2.gz RWESWHQXWFLKRS-ZYHUDNBSSA-N 1 0 332.370 2.586 40 0 EFABRO Cc1cc(CN(C)C(=O)[C@@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000152417709 473560873 /nfs/dbraw/zinc/56/08/73/473560873.db2.gz VHXGMHLSSORSJN-CQSZACIVSA-N 1 0 344.377 2.812 40 0 EFABRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH+](C)C)c2)cc1F ZINC000153879006 473647178 /nfs/dbraw/zinc/64/71/78/473647178.db2.gz ZSIWOQQVQXOPSO-UHFFFAOYSA-N 1 0 338.404 2.697 40 0 EFABRO COC(=O)C1CCC([NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000192445637 473680891 /nfs/dbraw/zinc/68/08/91/473680891.db2.gz JNLYACQEEUKCGO-PBMMVSLJSA-N 1 0 330.428 2.502 40 0 EFABRO Cc1ccc(N2CCC[N@H+](C[C@H](O)c3cccc(Cl)c3)CC2)nn1 ZINC000172841104 473691781 /nfs/dbraw/zinc/69/17/81/473691781.db2.gz UUBOMLXYRVQIGG-KRWDZBQOSA-N 1 0 346.862 2.684 40 0 EFABRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)NC3CCCC3)ccc2NC1=O ZINC000180030324 473780784 /nfs/dbraw/zinc/78/07/84/473780784.db2.gz FFCRWNASXAYBTL-LRDDRELGSA-N 1 0 345.443 2.506 40 0 EFABRO CSc1ccccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000186985246 473795052 /nfs/dbraw/zinc/79/50/52/473795052.db2.gz BWZSADYVBICBET-UHFFFAOYSA-N 1 0 340.514 2.657 40 0 EFABRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)c(C)c1 ZINC000180418355 473872368 /nfs/dbraw/zinc/87/23/68/473872368.db2.gz MJLPTMCVNWLEOU-NSHDSACASA-N 1 0 334.279 2.843 40 0 EFABRO Cc1ncc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)n1 ZINC000180493042 473891310 /nfs/dbraw/zinc/89/13/10/473891310.db2.gz SSIABZYDSKDBKW-OAHLLOKOSA-N 1 0 338.455 2.830 40 0 EFABRO C[C@@H](C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975291 473950102 /nfs/dbraw/zinc/95/01/02/473950102.db2.gz ICYOFGPLAUHLOG-LRDDRELGSA-N 1 0 332.835 2.572 40 0 EFABRO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000194903732 473973132 /nfs/dbraw/zinc/97/31/32/473973132.db2.gz WPGMFVZJDANDSR-SFHVURJKSA-N 1 0 340.423 2.727 40 0 EFABRO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000195531470 474089901 /nfs/dbraw/zinc/08/99/01/474089901.db2.gz JULYSHLLHHODDO-MJGOQNOKSA-N 1 0 330.472 2.671 40 0 EFABRO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000195530183 474090678 /nfs/dbraw/zinc/09/06/78/474090678.db2.gz DTXQHRSORKXCTR-KFKAGJAMSA-N 1 0 346.446 2.500 40 0 EFABRO C[C@H]([NH2+]Cc1cccnc1N1CCC[C@@H](C(N)=O)C1)c1cccs1 ZINC000195540681 474091988 /nfs/dbraw/zinc/09/19/88/474091988.db2.gz JMFPVLVYZOLRDW-DZGCQCFKSA-N 1 0 344.484 2.696 40 0 EFABRO Cc1occc1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000195542866 474092252 /nfs/dbraw/zinc/09/22/52/474092252.db2.gz QEDKCSXGOUITMG-UHFFFAOYSA-N 1 0 328.368 2.749 40 0 EFABRO CS[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549812 474092507 /nfs/dbraw/zinc/09/25/07/474092507.db2.gz HZMOYUDQSCWKEE-KBPBESRZSA-N 1 0 333.906 2.911 40 0 EFABRO CC(C)Oc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)CCC2 ZINC000195549902 474093072 /nfs/dbraw/zinc/09/30/72/474093072.db2.gz KWWVLAYYQJACGR-SUMWQHHRSA-N 1 0 325.474 2.874 40 0 EFABRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073951 474093199 /nfs/dbraw/zinc/09/31/99/474093199.db2.gz XKTKINUAEFXICG-BMIGLBTASA-N 1 0 340.217 2.997 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 ZINC000195551659 474094115 /nfs/dbraw/zinc/09/41/15/474094115.db2.gz DTYQXVLCKIQUCK-UZLBHIALSA-N 1 0 325.456 2.939 40 0 EFABRO CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CCO1 ZINC000195556379 474094681 /nfs/dbraw/zinc/09/46/81/474094681.db2.gz FYBWMCVRSYFLOX-GUDVDZBRSA-N 1 0 330.472 2.972 40 0 EFABRO COc1cccc([C@H]2[C@H]([NH2+]C3CCN(C)CC3)CCN2C2CC2)c1 ZINC000195554148 474094703 /nfs/dbraw/zinc/09/47/03/474094703.db2.gz DILBIQPHBVSQLP-UXHICEINSA-N 1 0 329.488 2.657 40 0 EFABRO C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558089 474095775 /nfs/dbraw/zinc/09/57/75/474095775.db2.gz CYYRSSQVWKKGHA-IAQYHMDHSA-N 1 0 328.250 2.887 40 0 EFABRO COc1ccc(CN2CC[NH+](C)CC2)cc1NC1CCC(OC)CC1 ZINC000195560441 474096189 /nfs/dbraw/zinc/09/61/89/474096189.db2.gz UMVYMFFODGCLDU-UHFFFAOYSA-N 1 0 347.503 2.812 40 0 EFABRO Cn1cc([C@](C)(O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cn1 ZINC000195560703 474096503 /nfs/dbraw/zinc/09/65/03/474096503.db2.gz DAFVQUIEGGMXLE-RBUKOAKNSA-N 1 0 340.402 2.541 40 0 EFABRO O=C(OCc1ccnc(-n2ccnc2)c1)c1n[nH]c2c1CCCCC2 ZINC000195579048 474100287 /nfs/dbraw/zinc/10/02/87/474100287.db2.gz FNYZTXXEAFNRCJ-UHFFFAOYSA-N 1 0 337.383 2.616 40 0 EFABRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)s1 ZINC000223253200 474182317 /nfs/dbraw/zinc/18/23/17/474182317.db2.gz QFTWNQWPNFVBNJ-CVEARBPZSA-N 1 0 346.525 2.986 40 0 EFABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)s1 ZINC000223253313 474182764 /nfs/dbraw/zinc/18/27/64/474182764.db2.gz QFTWNQWPNFVBNJ-HOTGVXAUSA-N 1 0 346.525 2.986 40 0 EFABRO C[NH+]1CCN(c2ccc(NC(=S)NC3CCCCCC3)cn2)CC1 ZINC000224042196 474193251 /nfs/dbraw/zinc/19/32/51/474193251.db2.gz YRZZZXKNWFCBPN-UHFFFAOYSA-N 1 0 347.532 2.843 40 0 EFABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCCC1 ZINC000224302333 474196553 /nfs/dbraw/zinc/19/65/53/474196553.db2.gz JYEXXVNUJCXBHX-INIZCTEOSA-N 1 0 330.472 2.935 40 0 EFABRO Fc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225213294 474204735 /nfs/dbraw/zinc/20/47/35/474204735.db2.gz RKTGWCNTIURGKL-UHFFFAOYSA-N 1 0 337.464 2.756 40 0 EFABRO Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]cn3)n2)c1 ZINC000225400265 474209172 /nfs/dbraw/zinc/20/91/72/474209172.db2.gz DZIRMKLPLPMKCS-INIZCTEOSA-N 1 0 327.363 2.512 40 0 biogenic,in-vitro EFABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)OCO2 ZINC000225399293 474209661 /nfs/dbraw/zinc/20/96/61/474209661.db2.gz UBSUQGIYXXCCII-UHFFFAOYSA-N 1 0 335.473 2.968 40 0 EFABRO Cc1nnsc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000225418147 474209888 /nfs/dbraw/zinc/20/98/88/474209888.db2.gz YZSFABCRSHPGQK-BBRMVZONSA-N 1 0 344.484 2.829 40 0 EFABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc[nH]3)CC2)c1 ZINC000225413091 474210358 /nfs/dbraw/zinc/21/03/58/474210358.db2.gz HICIMPZNBQVQES-UHFFFAOYSA-N 1 0 340.427 2.824 40 0 EFABRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccccn3)cc2)CC1 ZINC000225434750 474211696 /nfs/dbraw/zinc/21/16/96/474211696.db2.gz SUWYZZDUKIAQDN-UHFFFAOYSA-N 1 0 340.427 2.876 40 0 EFABRO Cc1ccc([C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C2CCCC2)cc1 ZINC000225475117 474215980 /nfs/dbraw/zinc/21/59/80/474215980.db2.gz QJESJKXSIWGKIC-SFHVURJKSA-N 1 0 336.501 2.707 40 0 EFABRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cccc(F)c1 ZINC000225473873 474216186 /nfs/dbraw/zinc/21/61/86/474216186.db2.gz NPKGSLPKRJGTDO-QGZVFWFLSA-N 1 0 342.418 2.961 40 0 EFABRO CC[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cccc(F)c1 ZINC000225473841 474217003 /nfs/dbraw/zinc/21/70/03/474217003.db2.gz NPKGSLPKRJGTDO-KRWDZBQOSA-N 1 0 342.418 2.961 40 0 EFABRO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000247872864 474218015 /nfs/dbraw/zinc/21/80/15/474218015.db2.gz MJPOGOHNSAYGGM-ATLSCFEFSA-N 1 0 340.471 2.612 40 0 EFABRO O=C([C@H]1CCc2nc[nH]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510402 474219567 /nfs/dbraw/zinc/21/95/67/474219567.db2.gz LTHIDGVGALNVOZ-ZDUSSCGKSA-N 1 0 344.846 2.517 40 0 EFABRO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549841 474223381 /nfs/dbraw/zinc/22/33/81/474223381.db2.gz YOFMMBOGDCXWQS-ZIAGYGMSSA-N 1 0 332.213 2.780 40 0 EFABRO Cc1cc(C[NH+]2CCC(CNC(=O)NC3CCOCC3)CC2)c(C)o1 ZINC000225553526 474223662 /nfs/dbraw/zinc/22/36/62/474223662.db2.gz PXEFOFRKIIMCGV-UHFFFAOYSA-N 1 0 349.475 2.587 40 0 EFABRO C[N@@H+]1CCc2c(cccc2NC(=O)CC2CCC3(CC2)OCCO3)C1 ZINC000225561201 474225232 /nfs/dbraw/zinc/22/52/32/474225232.db2.gz WQTYBFDYDSLSCI-UHFFFAOYSA-N 1 0 344.455 2.936 40 0 EFABRO c1ccc2c(c1)OC[C@@H](C[NH2+][C@H](c1cccnc1)C1CCOCC1)O2 ZINC000225572973 474226437 /nfs/dbraw/zinc/22/64/37/474226437.db2.gz JKYUMTOANXVWKX-XLIONFOSSA-N 1 0 340.423 2.979 40 0 EFABRO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000247961333 474233990 /nfs/dbraw/zinc/23/39/90/474233990.db2.gz FFCIMXGUOLIPDH-KRWDZBQOSA-N 1 0 348.512 2.959 40 0 EFABRO O=C(c1cc(C2CC2)on1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685365 474235680 /nfs/dbraw/zinc/23/56/80/474235680.db2.gz AVQSFNHVWZTJBO-QGZVFWFLSA-N 1 0 337.423 2.825 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cc1cccnc1 ZINC000248025335 474246873 /nfs/dbraw/zinc/24/68/73/474246873.db2.gz GNLSMPCFSDFWLS-YLJYHZDGSA-N 1 0 337.467 2.993 40 0 EFABRO Fc1ccc(F)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228923403 474249114 /nfs/dbraw/zinc/24/91/14/474249114.db2.gz UUXBLTAELLPXSO-UHFFFAOYSA-N 1 0 330.342 2.773 40 0 EFABRO Cc1ccccc1CCC(=O)N1Cc2cncn2[C@@H](CC[NH+](C)C)C1 ZINC000248077753 474256714 /nfs/dbraw/zinc/25/67/14/474256714.db2.gz BZHALDLNONAGMB-SFHVURJKSA-N 1 0 340.471 2.659 40 0 EFABRO CC1(C)[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)[C@@H]2CCO[C@H]21 ZINC000230189169 474260102 /nfs/dbraw/zinc/26/01/02/474260102.db2.gz MESKWGARZPHVJP-WJFTUGDTSA-N 1 0 342.483 2.623 40 0 EFABRO COc1ccc([C@H](C[NH2+][C@@H]2CCS[C@H]2C)N2CCOCC2)cc1 ZINC000230478705 474260485 /nfs/dbraw/zinc/26/04/85/474260485.db2.gz OLGSRTAVRDMHPD-QGTPRVQTSA-N 1 0 336.501 2.552 40 0 EFABRO CC(=O)NC[C@H]1CN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184463 474330367 /nfs/dbraw/zinc/33/03/67/474330367.db2.gz FJYKTJMXOBZDOY-WBMJQRKESA-N 1 0 344.377 2.646 40 0 EFABRO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221890 474343296 /nfs/dbraw/zinc/34/32/96/474343296.db2.gz SVGWSHQWTWDSEB-LPHOPBHVSA-N 1 0 340.471 2.970 40 0 EFABRO CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578987 474365122 /nfs/dbraw/zinc/36/51/22/474365122.db2.gz FCAAIRZFWYLOPY-CWRNSKLLSA-N 1 0 334.464 2.638 40 0 EFABRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC000189426365 474394238 /nfs/dbraw/zinc/39/42/38/474394238.db2.gz AJKLNVKUDJOUPA-UHFFFAOYSA-N 1 0 340.782 2.763 40 0 EFABRO [NH3+][C@H](C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccccc1 ZINC000237995959 474517633 /nfs/dbraw/zinc/51/76/33/474517633.db2.gz CTGPDTWFPDDNQG-WBVHZDCISA-N 1 0 330.453 2.956 40 0 EFABRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)n(C)n1 ZINC000249188627 474543342 /nfs/dbraw/zinc/54/33/42/474543342.db2.gz MOCVSRPXGNEEGS-AGIUHOORSA-N 1 0 344.381 2.545 40 0 EFABRO Cn1nccc1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000241316784 474554413 /nfs/dbraw/zinc/55/44/13/474554413.db2.gz LUWOZZGAHDBNHZ-LBPRGKRZSA-N 1 0 340.349 2.687 40 0 EFABRO O=C([C@@H](F)CC1CCCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000241368020 474554495 /nfs/dbraw/zinc/55/44/95/474554495.db2.gz MJJRKGQIRHVGLH-MSOLQXFVSA-N 1 0 340.483 2.866 40 0 EFABRO Cc1csc(N2CCC([NH2+]C[C@](C)(O)c3ccc(C)o3)CC2)n1 ZINC000241719800 474557025 /nfs/dbraw/zinc/55/70/25/474557025.db2.gz QPSKXRBYVMVPRO-KRWDZBQOSA-N 1 0 335.473 2.819 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSC(C)(C)C ZINC000245281164 474572552 /nfs/dbraw/zinc/57/25/52/474572552.db2.gz AAFSRAINGCPTQI-GDBMZVCRSA-N 1 0 335.517 2.940 40 0 EFABRO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000245228131 474572799 /nfs/dbraw/zinc/57/27/99/474572799.db2.gz FZYGLXLTKSKKPV-GGPKGHCWSA-N 1 0 332.488 2.515 40 0 EFABRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000245339364 474574809 /nfs/dbraw/zinc/57/48/09/474574809.db2.gz SGEJTEPXQJUNIM-JTDSTZFVSA-N 1 0 338.455 2.962 40 0 EFABRO COc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000245339416 474575003 /nfs/dbraw/zinc/57/50/03/474575003.db2.gz SOOXHWNJAZNHBM-UAGQMJEPSA-N 1 0 329.444 2.952 40 0 EFABRO O=C(N[C@@H]1CCCOc2ccccc21)c1cc(CN2CCCC2)on1 ZINC000291625878 474634214 /nfs/dbraw/zinc/63/42/14/474634214.db2.gz FXBMAOXEOUIDSV-MRXNPFEDSA-N 1 0 341.411 2.914 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1 ZINC000252477799 474663443 /nfs/dbraw/zinc/66/34/43/474663443.db2.gz VRAUXVFFZSRMEU-RDTXWAMCSA-N 1 0 327.403 2.861 40 0 EFABRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490341 474675194 /nfs/dbraw/zinc/67/51/94/474675194.db2.gz KPYJNTFBBJAAGH-OWCLPIDISA-N 1 0 331.522 2.727 40 0 EFABRO CC(C)COCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000252494990 474678337 /nfs/dbraw/zinc/67/83/37/474678337.db2.gz OKAZUBDBTVICMK-UHFFFAOYSA-N 1 0 330.270 2.955 40 0 EFABRO c1ccc(N2CCN(C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000252499124 474681649 /nfs/dbraw/zinc/68/16/49/474681649.db2.gz RVTPMKXABCTDMO-NRFANRHFSA-N 1 0 343.515 2.842 40 0 EFABRO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000252505148 474683060 /nfs/dbraw/zinc/68/30/60/474683060.db2.gz VPSCAFLRRKQLIS-MRXNPFEDSA-N 1 0 343.427 2.753 40 0 EFABRO COc1ccc([C@@H]2[C@@H]([NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252516975 474692212 /nfs/dbraw/zinc/69/22/12/474692212.db2.gz YNXZHERJGQKRTC-OAGGEKHMSA-N 1 0 337.828 2.616 40 0 EFABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000252517701 474692480 /nfs/dbraw/zinc/69/24/80/474692480.db2.gz OZMSBCMFQFZVJC-QAQDUYKDSA-N 1 0 332.444 2.681 40 0 EFABRO C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000252539002 474695807 /nfs/dbraw/zinc/69/58/07/474695807.db2.gz NQUJIBFSHIZXMR-VQIMIIECSA-N 1 0 345.487 2.585 40 0 EFABRO c1cnc(N2CCC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)nc1 ZINC000253370103 474728153 /nfs/dbraw/zinc/72/81/53/474728153.db2.gz MDXZKDSZGCEUNV-TVFCKZIOSA-N 1 0 342.487 2.630 40 0 EFABRO COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1=O ZINC000253370600 474728819 /nfs/dbraw/zinc/72/88/19/474728819.db2.gz SZJBLFAIOLAPSK-LTCOOKNTSA-N 1 0 344.455 2.594 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000253392808 474731916 /nfs/dbraw/zinc/73/19/16/474731916.db2.gz VICYMHISPHLIEC-OAHLLOKOSA-N 1 0 348.491 2.850 40 0 EFABRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCC12OCCO2 ZINC000253406127 474738781 /nfs/dbraw/zinc/73/87/81/474738781.db2.gz WCRWJZLSPIUMPJ-SFHVURJKSA-N 1 0 344.455 2.807 40 0 EFABRO CSc1ccc(C)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000253418383 474745296 /nfs/dbraw/zinc/74/52/96/474745296.db2.gz QEJUYKWQNZETNN-KGLIPLIRSA-N 1 0 337.489 2.636 40 0 EFABRO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000253428510 474754731 /nfs/dbraw/zinc/75/47/31/474754731.db2.gz LDPQJFGTOAESDK-SUMWQHHRSA-N 1 0 334.441 2.747 40 0 EFABRO CO[C@@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000253433292 474758711 /nfs/dbraw/zinc/75/87/11/474758711.db2.gz VGQJGNGGPDYWGW-KRWDZBQOSA-N 1 0 346.406 2.826 40 0 EFABRO CC(=O)N1c2cc(C)ccc2C(CN2CC[NH+](C)CC2)=CC1(C)C ZINC000253495637 474762726 /nfs/dbraw/zinc/76/27/26/474762726.db2.gz LXIGZKNPLAVWHO-UHFFFAOYSA-N 1 0 327.472 2.771 40 0 EFABRO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000306125032 474807224 /nfs/dbraw/zinc/80/72/24/474807224.db2.gz CFBVFWHQDIGFQJ-LLYBFZRZSA-N 1 0 334.485 2.578 40 0 EFABRO c1cc2n(n1)C[C@H](CCNc1ncccn1)C[N@H+](C1CCCC1)C2 ZINC000306127031 474807515 /nfs/dbraw/zinc/80/75/15/474807515.db2.gz FLYJZDDVAMRGQL-OAHLLOKOSA-N 1 0 326.448 2.550 40 0 EFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000306124987 474808116 /nfs/dbraw/zinc/80/81/16/474808116.db2.gz CDWJMUQTSJVFBD-OAHLLOKOSA-N 1 0 341.455 2.741 40 0 EFABRO CC(C)n1cnc([C@H]2C[N@H+](CC3CC3)C[C@]23CCCN(C)C3=O)c1 ZINC000306131243 474809520 /nfs/dbraw/zinc/80/95/20/474809520.db2.gz JZDZIEJHHXALBA-VQIMIIECSA-N 1 0 330.476 2.512 40 0 EFABRO Cc1cnc(N2CC[C@@H](F)[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)nc1 ZINC000306143172 474810940 /nfs/dbraw/zinc/81/09/40/474810940.db2.gz XUYSOBWSOWHXHL-SJLPKXTDSA-N 1 0 330.407 2.819 40 0 EFABRO CCCCC(=O)N1CC2(C1)C[C@H](COCc1ccncc1)CC[N@@H+]2C ZINC000306139852 474812094 /nfs/dbraw/zinc/81/20/94/474812094.db2.gz UCKTUEZTZWINLS-GOSISDBHSA-N 1 0 345.487 2.711 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)[nH+]1 ZINC000257237543 474926464 /nfs/dbraw/zinc/92/64/64/474926464.db2.gz HHAAIVZSMGPCBI-GOSISDBHSA-N 1 0 336.395 2.667 40 0 EFABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2Cc2cscn2)n1 ZINC000257255120 474928017 /nfs/dbraw/zinc/92/80/17/474928017.db2.gz KGEDPBBPWWVTNY-HNNXBMFYSA-N 1 0 326.429 2.969 40 0 EFABRO Cn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCCC[C@@H]32)n1 ZINC000257282180 474928857 /nfs/dbraw/zinc/92/88/57/474928857.db2.gz OSRYGMZIMVBZAZ-WDSOQIARSA-N 1 0 338.455 2.561 40 0 EFABRO CCCCc1nc(CN2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)c[nH]1 ZINC000257281012 474929143 /nfs/dbraw/zinc/92/91/43/474929143.db2.gz ONHFEFVXVKPGLF-QGZVFWFLSA-N 1 0 343.475 2.563 40 0 EFABRO Cn1nccc1C[N@@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257285500 474932262 /nfs/dbraw/zinc/93/22/62/474932262.db2.gz PHKTZJGREACKBO-OAHLLOKOSA-N 1 0 325.412 2.857 40 0 EFABRO c1ccc(CO[C@H]2C[N@H+](Cc3cncnc3)CC[C@@]23CCCO3)cc1 ZINC000257288359 474933956 /nfs/dbraw/zinc/93/39/56/474933956.db2.gz PTXPQXXOFRGEOE-PMACEKPBSA-N 1 0 339.439 2.817 40 0 EFABRO Cn1cncc1-c1cncc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257300763 474941372 /nfs/dbraw/zinc/94/13/72/474941372.db2.gz RVPCCTOOHPQWFG-MRXNPFEDSA-N 1 0 334.427 2.652 40 0 EFABRO COc1ccc2[nH]c(C[NH+]3CCC4(CC3)OCCC[C@@H]4O)cc2c1 ZINC000257304763 474942840 /nfs/dbraw/zinc/94/28/40/474942840.db2.gz SNBRCNIMAGDVJA-SFHVURJKSA-N 1 0 330.428 2.682 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)[nH+]1 ZINC000257309081 474944580 /nfs/dbraw/zinc/94/45/80/474944580.db2.gz TZLMMPYGELBZQV-LJQANCHMSA-N 1 0 348.406 2.734 40 0 EFABRO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257308581 474944923 /nfs/dbraw/zinc/94/49/23/474944923.db2.gz TXGWDAMUVIIPIR-MRXNPFEDSA-N 1 0 325.412 2.854 40 0 EFABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)n(C)n1 ZINC000257309847 474947018 /nfs/dbraw/zinc/94/70/18/474947018.db2.gz UCPZJRBZGYSWNF-WITVHBPWSA-N 1 0 330.476 2.679 40 0 EFABRO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000257311274 474947942 /nfs/dbraw/zinc/94/79/42/474947942.db2.gz UITHUOBFJMLWII-QGZVFWFLSA-N 1 0 341.459 2.689 40 0 EFABRO CC(C)Oc1cccc(C[N@@H+]2CCOC[C@H](Cc3cnccn3)C2)c1 ZINC000257311075 474948440 /nfs/dbraw/zinc/94/84/40/474948440.db2.gz UHUYMNCHKCIINF-GOSISDBHSA-N 1 0 341.455 2.955 40 0 EFABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cn3C)C2)cc1CO ZINC000257315669 474949194 /nfs/dbraw/zinc/94/91/94/474949194.db2.gz VCIOAGBTXLXHJT-MRXNPFEDSA-N 1 0 329.444 2.609 40 0 EFABRO O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1CCN(Cc1ccsc1)C2 ZINC000257313970 474949687 /nfs/dbraw/zinc/94/96/87/474949687.db2.gz UUWKEWXITBPPFX-AWEZNQCLSA-N 1 0 330.457 2.617 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257321869 474953700 /nfs/dbraw/zinc/95/37/00/474953700.db2.gz WDPMSVXSQCTPCT-CQSZACIVSA-N 1 0 349.438 2.962 40 0 EFABRO CCOc1ccc(C[NH+]2CCC(c3cnccn3)CC2)cc1CO ZINC000257326540 474955527 /nfs/dbraw/zinc/95/55/27/474955527.db2.gz WXOXKYXWDYNHAY-UHFFFAOYSA-N 1 0 327.428 2.747 40 0 EFABRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)CC2CC2)C1 ZINC000257325591 474955694 /nfs/dbraw/zinc/95/56/94/474955694.db2.gz WTQJLVJMPGEPMB-QZTJIDSGSA-N 1 0 346.471 2.879 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257326501 474956103 /nfs/dbraw/zinc/95/61/03/474956103.db2.gz WXJZGMSIMJCMOL-CYBMUJFWSA-N 1 0 340.456 2.696 40 0 EFABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257325327 474956379 /nfs/dbraw/zinc/95/63/79/474956379.db2.gz WSNATRCTBUOTAE-HXUWFJFHSA-N 1 0 348.462 2.801 40 0 EFABRO Cc1cncc([C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257328647 474957008 /nfs/dbraw/zinc/95/70/08/474957008.db2.gz XGOMGUTUVYRJJG-QGZVFWFLSA-N 1 0 327.428 2.536 40 0 EFABRO O=C(C[NH+]1CCCCC1)N1C[C@@H]2CC[C@H](Oc3ccccc3F)[C@@H]2C1 ZINC000257331799 474958878 /nfs/dbraw/zinc/95/88/78/474958878.db2.gz XUHHQEASLZEWFA-JZXOWHBKSA-N 1 0 346.446 2.927 40 0 EFABRO CO[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@]12CCCO2 ZINC000257336731 474961223 /nfs/dbraw/zinc/96/12/23/474961223.db2.gz YPTPZNLVGXVMOQ-HKUYNNGSSA-N 1 0 327.428 2.847 40 0 EFABRO Cc1ncc(CNC(=O)c2cc(F)ccc2F)c([C@H]2CCC[N@H+]2C)n1 ZINC000257335886 474962214 /nfs/dbraw/zinc/96/22/14/474962214.db2.gz YMHKANNPRVRLAT-MRXNPFEDSA-N 1 0 346.381 2.760 40 0 EFABRO Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257340720 474963854 /nfs/dbraw/zinc/96/38/54/474963854.db2.gz ZHHDHIJNRSIVQJ-SFHVURJKSA-N 1 0 338.455 2.993 40 0 EFABRO COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1cccc(F)c1 ZINC000261675796 475019809 /nfs/dbraw/zinc/01/98/09/475019809.db2.gz BOVBSHOPYZBAQZ-KRWDZBQOSA-N 1 0 328.387 2.550 40 0 EFABRO C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000332920796 475782300 /nfs/dbraw/zinc/78/23/00/475782300.db2.gz JVJPDIGGWGPURO-HDMKZQKVSA-N 1 0 343.471 2.775 40 0 EFABRO c1sc(N2CCCC2)nc1CCNc1cc(N2CCCC2)ncn1 ZINC000302868584 476211044 /nfs/dbraw/zinc/21/10/44/476211044.db2.gz AGXSKTNJPJDADR-UHFFFAOYSA-N 1 0 344.488 2.788 40 0 EFABRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(n2cccn2)CC1 ZINC000363347634 476661004 /nfs/dbraw/zinc/66/10/04/476661004.db2.gz KHWZCAUIKNQMQD-MRXNPFEDSA-N 1 0 330.476 2.701 40 0 EFABRO C[C@@H]1C[C@@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000390835085 476806327 /nfs/dbraw/zinc/80/63/27/476806327.db2.gz CGRYFZYUAWPFHG-MFKMUULPSA-N 1 0 343.240 2.730 40 0 EFABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290144 479022583 /nfs/dbraw/zinc/02/25/83/479022583.db2.gz SSEJNWIRLBAMFT-MJGOQNOKSA-N 1 0 337.423 2.674 40 0 biogenic,in-vitro EFABRO C[C@@H]1Cc2nnc(COc3ncccc3F)n2CC[N@@H+]1C1CCCC1 ZINC000585098176 479281519 /nfs/dbraw/zinc/28/15/19/479281519.db2.gz QTRRBFIFGPDMAC-CYBMUJFWSA-N 1 0 345.422 2.580 40 0 EFABRO Cc1cc(C[N@@H+]2CCC[C@@]3(CN(CC4CCCCC4)C3=O)C2)n(C)n1 ZINC000585099303 479283349 /nfs/dbraw/zinc/28/33/49/479283349.db2.gz CKNSOLCIYVZZEB-FQEVSTJZSA-N 1 0 344.503 2.733 40 0 EFABRO O=C1CC[C@@]2(CCC[N@H+](Cc3nccs3)CC2)N1C[C@@H]1CCCO1 ZINC000585099863 479283507 /nfs/dbraw/zinc/28/35/07/479283507.db2.gz MDVQNOFWLJKEDA-MAUKXSAKSA-N 1 0 349.500 2.669 40 0 EFABRO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585103727 479284517 /nfs/dbraw/zinc/28/45/17/479284517.db2.gz FNYXVIYOFPNUEI-FXAWDEMLSA-N 1 0 330.472 2.955 40 0 EFABRO Cc1occc1C(=O)N1CCC2(C[N@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000585102746 479284656 /nfs/dbraw/zinc/28/46/56/479284656.db2.gz CVYMUWREUANNJV-KRWDZBQOSA-N 1 0 346.471 2.799 40 0 EFABRO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(Cc1ccco1)C2 ZINC000585102966 479284741 /nfs/dbraw/zinc/28/47/41/479284741.db2.gz MNZPYIPDUMCBCG-QGZVFWFLSA-N 1 0 341.455 2.788 40 0 EFABRO c1ccc(CO[C@@H]2CSC3(C[NH+](CC4CCOCC4)C3)C2)nc1 ZINC000585103326 479284843 /nfs/dbraw/zinc/28/48/43/479284843.db2.gz ARAJYVOYQJZFFN-KRWDZBQOSA-N 1 0 334.485 2.585 40 0 EFABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(Cc1ccco1)C2 ZINC000585102964 479285109 /nfs/dbraw/zinc/28/51/09/479285109.db2.gz MNZPYIPDUMCBCG-KRWDZBQOSA-N 1 0 341.455 2.788 40 0 EFABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1nccn1C)CC2 ZINC000585104272 479285721 /nfs/dbraw/zinc/28/57/21/479285721.db2.gz XQCIJJVYTQYZKJ-UHFFFAOYSA-N 1 0 334.464 2.547 40 0 EFABRO Fc1cccnc1O[C@H]1CSC2(C[NH+](CC3CCOCC3)C2)C1 ZINC000585105195 479285876 /nfs/dbraw/zinc/28/58/76/479285876.db2.gz PXNURGKEDXSTBR-CQSZACIVSA-N 1 0 338.448 2.586 40 0 EFABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](C4CCOCC4)C3)C2)n1 ZINC000585105385 479286023 /nfs/dbraw/zinc/28/60/23/479286023.db2.gz VSRPGIDSGVVDPN-QGZVFWFLSA-N 1 0 334.485 2.646 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(Cc2cccc(C)n2)Cc2ccnn21 ZINC000585112647 479288635 /nfs/dbraw/zinc/28/86/35/479288635.db2.gz SNONIWAEDDGVOM-LJQANCHMSA-N 1 0 327.476 2.875 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(Cc2cnn(C(C)C)c2)Cc2ccnn21 ZINC000585112594 479288990 /nfs/dbraw/zinc/28/89/90/479288990.db2.gz UBRCAJLGHYJIQS-LJQANCHMSA-N 1 0 344.507 2.949 40 0 EFABRO Cn1cc(C[N@H+](C)CC(C)(C)C(=O)NCc2ccccc2Cl)cn1 ZINC000585140959 479298548 /nfs/dbraw/zinc/29/85/48/479298548.db2.gz MIOQAUIKQLUXBD-UHFFFAOYSA-N 1 0 348.878 2.848 40 0 EFABRO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000585141387 479298776 /nfs/dbraw/zinc/29/87/76/479298776.db2.gz VEDSSXVVUDHLIL-HOCLYGCPSA-N 1 0 326.444 2.724 40 0 EFABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)cc2)cc1 ZINC000585182269 479302319 /nfs/dbraw/zinc/30/23/19/479302319.db2.gz LCJNASPNQKAIJT-GOSISDBHSA-N 1 0 328.387 2.550 40 0 EFABRO [NH3+]CCc1nc(-c2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000585167184 479302354 /nfs/dbraw/zinc/30/23/54/479302354.db2.gz JLMWUZQBPYWOIA-UHFFFAOYSA-N 1 0 332.407 2.575 40 0 EFABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@H](O)COc1ccccc1 ZINC000585270301 479302904 /nfs/dbraw/zinc/30/29/04/479302904.db2.gz TZOQMHRKVDTDIY-KRWDZBQOSA-N 1 0 333.403 2.907 40 0 EFABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)C2CCOCC2)n1 ZINC000585261098 479303151 /nfs/dbraw/zinc/30/31/51/479303151.db2.gz DZDCORAYEOTSBJ-INIZCTEOSA-N 1 0 328.416 2.518 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)n1 ZINC000585182598 479303659 /nfs/dbraw/zinc/30/36/59/479303659.db2.gz YQZRCOVPLYCSOG-GOSISDBHSA-N 1 0 349.438 2.997 40 0 EFABRO CC(=O)N1CC[C@H]([NH2+]Cc2ccncc2)[C@H](Cc2ccc(F)cc2)C1 ZINC000585268941 479303809 /nfs/dbraw/zinc/30/38/09/479303809.db2.gz FFCGVWNVYYKLCE-QUCCMNQESA-N 1 0 341.430 2.790 40 0 EFABRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)[C@H]1Cc1ccc(F)cc1 ZINC000585269499 479303925 /nfs/dbraw/zinc/30/39/25/479303925.db2.gz XDDYOFOZTLXWGV-PMACEKPBSA-N 1 0 341.430 2.933 40 0 EFABRO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585275351 479305209 /nfs/dbraw/zinc/30/52/09/479305209.db2.gz CWGAOKCSBHSXAD-LJQANCHMSA-N 1 0 337.435 2.991 40 0 EFABRO CO[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585276290 479305879 /nfs/dbraw/zinc/30/58/79/479305879.db2.gz HVRCJPDGKOAQDU-GOSISDBHSA-N 1 0 333.407 2.836 40 0 EFABRO CNC(=O)CC[C@]1(OC)CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000585278225 479306758 /nfs/dbraw/zinc/30/67/58/479306758.db2.gz NNZFGRYMMNCKQY-HXUWFJFHSA-N 1 0 341.455 2.742 40 0 EFABRO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585281865 479307783 /nfs/dbraw/zinc/30/77/83/479307783.db2.gz CZFSZWQBBBMFKU-SFHVURJKSA-N 1 0 341.398 2.740 40 0 EFABRO OC1(COc2cccc(Cl)c2)CC[NH+](C2CCOCC2)CC1 ZINC000585281693 479308333 /nfs/dbraw/zinc/30/83/33/479308333.db2.gz PEOHEAHDVXINAH-UHFFFAOYSA-N 1 0 325.836 2.725 40 0 EFABRO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](C3CCCC3)CC[C@@H]2O)c1C ZINC000585288089 479309611 /nfs/dbraw/zinc/30/96/11/479309611.db2.gz VOBVYXVWVWTPEL-ICSRJNTNSA-N 1 0 333.472 2.731 40 0 EFABRO Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288808 479309767 /nfs/dbraw/zinc/30/97/67/479309767.db2.gz JPZGFKQNGPXMJK-XUVXKRRUSA-N 1 0 343.471 2.910 40 0 EFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000585286148 479309870 /nfs/dbraw/zinc/30/98/70/479309870.db2.gz VAKBLIYNOMKFQI-IPMKNSEASA-N 1 0 330.403 2.714 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000585293223 479310936 /nfs/dbraw/zinc/31/09/36/479310936.db2.gz SGTQILOGGYRKDU-ZTFGCOKTSA-N 1 0 335.806 2.800 40 0 EFABRO COc1cc(C)ccc1C[N@@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295112 479311067 /nfs/dbraw/zinc/31/10/67/479311067.db2.gz MBWOZDIIXHNGBJ-SFHLNBCPSA-N 1 0 341.451 2.633 40 0 EFABRO Cc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(-c2cccnc2)n1 ZINC000599710199 479402792 /nfs/dbraw/zinc/40/27/92/479402792.db2.gz AZCKGAMUXPGCIM-INIZCTEOSA-N 1 0 325.460 3.379 40 0 EFABRO Cc1ccoc1C(=O)N1CC2(C1)CC[C@H](C[NH+]1CCCCC1)CO2 ZINC000575402800 479437184 /nfs/dbraw/zinc/43/71/84/479437184.db2.gz CTRZGMIMILQDEI-MRXNPFEDSA-N 1 0 332.444 2.695 40 0 EFABRO CC[NH+](CC)C[C@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 ZINC000575406959 479439128 /nfs/dbraw/zinc/43/91/28/479439128.db2.gz ZFLATJILGAVDLM-SFHVURJKSA-N 1 0 326.444 2.730 40 0 EFABRO CC[C@@H](C(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000575608370 479451451 /nfs/dbraw/zinc/45/14/51/479451451.db2.gz SKAXBQSIIJANQU-RBUKOAKNSA-N 1 0 330.472 2.797 40 0 EFABRO C[NH+]1CCN(Cc2cn(Cc3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC000640845761 480667982 /nfs/dbraw/zinc/66/79/82/480667982.db2.gz WYFTWNZHZFOIJH-UHFFFAOYSA-N 1 0 347.466 2.741 40 0 EFABRO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130208410 528491251 /nfs/dbraw/zinc/49/12/51/528491251.db2.gz HRMZKYLWIOJKFA-SJLPKXTDSA-N 1 0 335.467 2.986 40 0 EFABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225434091 535701877 /nfs/dbraw/zinc/70/18/77/535701877.db2.gz OHZYYOQSEYLUJO-UHFFFAOYSA-N 1 0 335.473 2.636 40 0 EFABRO CCOC(=O)c1cccc(NC(=S)NC2CC[NH+](C)CC2)c1C ZINC000225800134 535701945 /nfs/dbraw/zinc/70/19/45/535701945.db2.gz YNZSPVBJJPJETO-UHFFFAOYSA-N 1 0 335.473 2.552 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2ccccc2F)n1 ZINC000257265990 536051324 /nfs/dbraw/zinc/05/13/24/536051324.db2.gz MBDNRAIJZDQRQG-MRXNPFEDSA-N 1 0 328.391 2.655 40 0 EFABRO CN(c1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257259472 536298508 /nfs/dbraw/zinc/29/85/08/536298508.db2.gz KYNRDYCLZOJRMX-QGZVFWFLSA-N 1 0 326.444 2.670 40 0 EFABRO CN1C(=O)CO[C@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000257256469 536314881 /nfs/dbraw/zinc/31/48/81/536314881.db2.gz KLQBTBQIEGCFBA-GJZGRUSLSA-N 1 0 342.361 2.527 40 0 EFABRO C[NH+]1CCC(NC(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000224946881 536340997 /nfs/dbraw/zinc/34/09/97/536340997.db2.gz IBRJAZUYJCXFQZ-UHFFFAOYSA-N 1 0 330.856 2.923 40 0 EFABRO C[NH+]1CCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257206991 536346024 /nfs/dbraw/zinc/34/60/24/536346024.db2.gz BFTKOIZVAYHNOI-UHFFFAOYSA-N 1 0 330.432 2.945 40 0 EFABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1c[nH]c(=O)[nH]1 ZINC000257244073 536359441 /nfs/dbraw/zinc/35/94/41/536359441.db2.gz IJSXKEVZEHZXEX-YESZJQIVSA-N 1 0 340.427 2.555 40 0 EFABRO COc1cc(C)ccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257249113 536670152 /nfs/dbraw/zinc/67/01/52/536670152.db2.gz JGWJVIQLUGOQBS-ICSRJNTNSA-N 1 0 346.471 2.858 40 0 EFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218444008 536680799 /nfs/dbraw/zinc/68/07/99/536680799.db2.gz CMCXQBLTVDMMBV-GBESFXJTSA-N 1 0 345.464 2.526 40 0 EFABRO COc1cccc(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)c1 ZINC000257213213 537102167 /nfs/dbraw/zinc/10/21/67/537102167.db2.gz CGPGJWIYLPJQQS-BOLBYERCSA-N 1 0 328.456 2.711 40 0 EFABRO CC[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000196876071 545554207 /nfs/dbraw/zinc/55/42/07/545554207.db2.gz FNJZDYNRSKZDLQ-KRWDZBQOSA-N 1 0 327.424 2.851 40 0 EFABRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(C)c1 ZINC000657315299 547106033 /nfs/dbraw/zinc/10/60/33/547106033.db2.gz KMPKDGMHEKDKIU-KRWDZBQOSA-N 1 0 326.444 2.942 40 0 EFABRO OC1(C[NH2+]Cc2cccc(OC3CC3)c2F)Cc2ccccc2C1 ZINC000657371503 547134341 /nfs/dbraw/zinc/13/43/41/547134341.db2.gz WTZHVTMEEPAPIQ-UHFFFAOYSA-N 1 0 327.399 2.986 40 0 EFABRO C=Cn1cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(Br)cc2)cn1 ZINC000225583057 564149805 /nfs/dbraw/zinc/14/98/05/564149805.db2.gz OBHPLWKJRSLCDZ-NHYWBVRUSA-N 1 0 336.233 2.958 40 0 EFABRO CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H](CO)[C@@H]1C[NH+](CC)CC ZINC001772594902 1249139666 /nfs/dbraw/zinc/13/96/66/1249139666.db2.gz FQCHLVSMGMFNNQ-ZTFGCOKTSA-N 1 0 336.451 2.627 40 0 EFABRO Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595881 1249167584 /nfs/dbraw/zinc/16/75/84/1249167584.db2.gz QMMBLNUDJABSFQ-HBFSDRIKSA-N 1 0 336.435 2.923 40 0 EFABRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000952847830 1284865060 /nfs/dbraw/zinc/86/50/60/1284865060.db2.gz ACEKAVQGMPXQCD-MJGOQNOKSA-N 1 0 345.487 2.992 40 0 EFABRO Cc1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)c2c(n1)CCCC2 ZINC000894909698 723026476 /nfs/dbraw/zinc/02/64/76/723026476.db2.gz RMUUUXFWYABZPJ-MGPUTAFESA-N 1 0 340.471 2.870 40 0 EFABRO COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCOC3)cc1 ZINC000032611749 1099508186 /nfs/dbraw/zinc/50/81/86/1099508186.db2.gz AKMKWSAXDUKWMR-UHFFFAOYSA-N 1 0 337.399 2.979 40 0 EFABRO O=C(c1cc(F)ccc1F)N(CC[NH+]1CCCC1)C1CCOCC1 ZINC000675022714 1099658721 /nfs/dbraw/zinc/65/87/21/1099658721.db2.gz SPXXFRHTANDQMN-UHFFFAOYSA-N 1 0 338.398 2.682 40 0 EFABRO COc1cc(Br)c([C@@H](O)C[NH2+]CC(C)C)cc1OC ZINC000055029907 214265976 /nfs/dbraw/zinc/26/59/76/214265976.db2.gz SJUMQCHBKZSVDY-LBPRGKRZSA-N 1 0 332.238 2.745 40 0 EFABRO C[NH+](C)CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000004697452 210250787 /nfs/dbraw/zinc/25/07/87/210250787.db2.gz KWZKQVMUNLPZPC-OBGWFSINSA-N 1 0 338.407 2.562 40 0 EFABRO COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000055748728 214339821 /nfs/dbraw/zinc/33/98/21/214339821.db2.gz RSMYCIIWOVADRF-XQQFMLRXSA-N 1 0 349.475 2.514 40 0 EFABRO Cc1ncc2c(n1)C1(CC[NH+](Cc3ccccc3F)CC1)OCC2 ZINC000012337912 282169325 /nfs/dbraw/zinc/16/93/25/282169325.db2.gz CPDCBXJDDCRIDW-UHFFFAOYSA-N 1 0 327.403 2.988 40 0 EFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000049761420 214031890 /nfs/dbraw/zinc/03/18/90/214031890.db2.gz LDISIUFQTFNPNA-GOSISDBHSA-N 1 0 344.499 2.973 40 0 EFABRO NCC[N@H+](C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178089 219094062 /nfs/dbraw/zinc/09/40/62/219094062.db2.gz PLGLNKBBQXNZGL-CALCHBBNSA-N 1 0 331.460 2.647 40 0 EFABRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000004305219 210165293 /nfs/dbraw/zinc/16/52/93/210165293.db2.gz RGKJDDDODPIFDE-MSOLQXFVSA-N 1 0 349.471 2.627 40 0 EFABRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181594633 530050541 /nfs/dbraw/zinc/05/05/41/530050541.db2.gz IEQIMLYTRUGXCK-UHFFFAOYSA-N 1 0 337.272 2.507 40 0 EFABRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(Cl)o1)C(F)(F)F ZINC000067698769 215189324 /nfs/dbraw/zinc/18/93/24/215189324.db2.gz XNTXOJBGERAXHA-LBPRGKRZSA-N 1 0 337.729 2.596 40 0 EFABRO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000002602332 209872676 /nfs/dbraw/zinc/87/26/76/209872676.db2.gz JRNKSWXYAUITOW-UHFFFAOYSA-N 1 0 345.399 2.532 40 0 EFABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCC2)n1 ZINC000035425037 213026900 /nfs/dbraw/zinc/02/69/00/213026900.db2.gz LRBPOSHFJBNWGP-HNNXBMFYSA-N 1 0 344.415 2.846 40 0 biogenic,in-vitro EFABRO O=C(c1cccs1)N1C[C@@H]2CCCC[N@@H+](C3CCOCC3)[C@@H]2C1 ZINC000072330650 216155184 /nfs/dbraw/zinc/15/51/84/216155184.db2.gz FOKAPNUSXKFTEF-GOEBONIOSA-N 1 0 334.485 2.854 40 0 EFABRO COCCn1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c2ccccc21 ZINC000072324733 216151223 /nfs/dbraw/zinc/15/12/23/216151223.db2.gz YZIWFRDXIBIWBJ-SJLPKXTDSA-N 1 0 327.472 2.956 40 0 EFABRO Cc1ccccc1-c1cncc(C2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000072359759 216165696 /nfs/dbraw/zinc/16/56/96/216165696.db2.gz WIKUMEBZTZJLSH-UHFFFAOYSA-N 1 0 338.455 2.720 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363495 216169965 /nfs/dbraw/zinc/16/99/65/216169965.db2.gz XVYTUOVBYRBJGO-ZDUSSCGKSA-N 1 0 333.461 2.811 40 0 EFABRO C[C@H](CCO)[NH+]1CCC(c2csc(Nc3cnccn3)n2)CC1 ZINC000072363700 216170005 /nfs/dbraw/zinc/17/00/05/216170005.db2.gz XUFKYDLIXXOOHH-GFCCVEGCSA-N 1 0 333.461 2.627 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363494 216170205 /nfs/dbraw/zinc/17/02/05/216170205.db2.gz XVYTUOVBYRBJGO-CYBMUJFWSA-N 1 0 333.461 2.811 40 0 EFABRO NC(=O)CCc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072360447 216168023 /nfs/dbraw/zinc/16/80/23/216168023.db2.gz HDIWLCICVZEBJR-GOSISDBHSA-N 1 0 327.403 2.976 40 0 EFABRO Cc1cc(C(=O)N(C)Cc2ccccc2)nc(C2CC[NH+](C)CC2)n1 ZINC000072369294 216176353 /nfs/dbraw/zinc/17/63/53/216176353.db2.gz HUUQIUQOLGCKCT-UHFFFAOYSA-N 1 0 338.455 2.866 40 0 EFABRO c1cnc2ccc(CN3CCn4c(nnc4[C@H]4CCCC[NH2+]4)C3)cc2c1 ZINC000072374055 216176892 /nfs/dbraw/zinc/17/68/92/216176892.db2.gz UONXFZNPWAKAGK-GOSISDBHSA-N 1 0 348.454 2.657 40 0 EFABRO COCC[N@@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000072376816 216179801 /nfs/dbraw/zinc/17/98/01/216179801.db2.gz PNGAKSNHOCMZSK-QGZVFWFLSA-N 1 0 326.444 2.993 40 0 EFABRO O=C(NC1CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373034 216177914 /nfs/dbraw/zinc/17/79/14/216177914.db2.gz OEOHMXQCTMHLIZ-PMACEKPBSA-N 1 0 348.446 2.896 40 0 EFABRO C[NH2+]CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccccc2)n1 ZINC000072384514 216185862 /nfs/dbraw/zinc/18/58/62/216185862.db2.gz XCXVRLPWQMGBEB-MRXNPFEDSA-N 1 0 340.427 2.850 40 0 EFABRO Cc1cc(C)c2c(c1)cc([C@H]1CCCN(C(=O)C[NH+](C)C)C1)[nH]c2=O ZINC000072383103 216184494 /nfs/dbraw/zinc/18/44/94/216184494.db2.gz VKLVILYUJSJZQZ-HNNXBMFYSA-N 1 0 341.455 2.825 40 0 EFABRO c1cncc(C[N@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)c1 ZINC000072387314 216186970 /nfs/dbraw/zinc/18/69/70/216186970.db2.gz MPHVPCQNYCTHMO-KRWDZBQOSA-N 1 0 337.471 2.927 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393097 216190810 /nfs/dbraw/zinc/19/08/10/216190810.db2.gz RSAXUCTYHLKSNZ-MRXNPFEDSA-N 1 0 347.422 2.607 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392917 216191656 /nfs/dbraw/zinc/19/16/56/216191656.db2.gz VTEXRHLRWGMJFA-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2nccnc21 ZINC000072393836 216193070 /nfs/dbraw/zinc/19/30/70/216193070.db2.gz VOTVNDFRZFIFDE-CQSZACIVSA-N 1 0 325.391 2.882 40 0 EFABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393221 216193246 /nfs/dbraw/zinc/19/32/46/216193246.db2.gz QJZONFKRTCTAPL-OAHLLOKOSA-N 1 0 347.422 2.607 40 0 EFABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2)C1 ZINC000129925715 223104561 /nfs/dbraw/zinc/10/45/61/223104561.db2.gz ZPILFKPRZQCDLZ-ZDUSSCGKSA-N 1 0 340.265 2.542 40 0 EFABRO Cc1cccc2c(CCNC(=O)N3CC[C@H](C[NH+](C)C)C3)c[nH]c21 ZINC000130131506 223125832 /nfs/dbraw/zinc/12/58/32/223125832.db2.gz XQLUYUJHBYSULA-OAHLLOKOSA-N 1 0 328.460 2.612 40 0 EFABRO Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131024110 223197029 /nfs/dbraw/zinc/19/70/29/223197029.db2.gz RPOHWKLJCUPUNM-LBPRGKRZSA-N 1 0 342.871 2.810 40 0 EFABRO CCC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000072659328 216288556 /nfs/dbraw/zinc/28/85/56/216288556.db2.gz QGWSXVPMDCADRI-OAHLLOKOSA-N 1 0 334.460 2.975 40 0 EFABRO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)NCc1ccc(F)cc1 ZINC000072667091 216289804 /nfs/dbraw/zinc/28/98/04/216289804.db2.gz IYGZZHWIXLWIGY-UHFFFAOYSA-N 1 0 347.478 2.782 40 0 EFABRO COc1cccc(NC(=O)CCN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000072667093 216290157 /nfs/dbraw/zinc/29/01/57/216290157.db2.gz FUZBLFAIVNQUCX-UHFFFAOYSA-N 1 0 345.487 2.974 40 0 EFABRO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]21)N1CCCC1 ZINC000096058268 296038914 /nfs/dbraw/zinc/03/89/14/296038914.db2.gz RCBXKANMBKQBLV-CEXWTWQISA-N 1 0 346.446 2.675 40 0 EFABRO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)n1ccnc1 ZINC000073102587 216348666 /nfs/dbraw/zinc/34/86/66/216348666.db2.gz UMLIBBIDIPRTTC-CQSZACIVSA-N 1 0 325.416 2.599 40 0 EFABRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3cccnc3)cc2)C1 ZINC000073303441 216375411 /nfs/dbraw/zinc/37/54/11/216375411.db2.gz ZSFNCZDONGRNTF-INIZCTEOSA-N 1 0 339.439 2.983 40 0 EFABRO C[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)n1cccn1 ZINC000073303166 216375449 /nfs/dbraw/zinc/37/54/49/216375449.db2.gz XGSWOUTZOZZLSF-HZPDHXFCSA-N 1 0 342.443 2.803 40 0 EFABRO COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000073362133 216381938 /nfs/dbraw/zinc/38/19/38/216381938.db2.gz JSGBDQPHGDGVKV-GFCCVEGCSA-N 1 0 346.452 2.646 40 0 EFABRO Cc1cc(NCc2cnn(C)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679576 239248220 /nfs/dbraw/zinc/24/82/20/239248220.db2.gz NFGSYWQMQPOKGQ-UHFFFAOYSA-N 1 0 327.476 2.871 40 0 EFABRO O=C(Nc1ccc(Cl)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023249325 212363793 /nfs/dbraw/zinc/36/37/93/212363793.db2.gz VJGNUEZUCAPUCU-UHFFFAOYSA-N 1 0 336.867 2.585 40 0 EFABRO COc1cccc(/C=C/C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000023181110 212358722 /nfs/dbraw/zinc/35/87/22/212358722.db2.gz IFZBRDYMKVUKLE-WTBPUQPLSA-N 1 0 346.471 2.712 40 0 EFABRO COc1ccc(OCC(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127981 212352664 /nfs/dbraw/zinc/35/26/64/212352664.db2.gz YFUWHRLTPMMOPF-UHFFFAOYSA-N 1 0 346.471 2.845 40 0 EFABRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)NC1CCCCC1 ZINC000022915776 212333942 /nfs/dbraw/zinc/33/39/42/212333942.db2.gz RZGKERDPSUDWFQ-UHFFFAOYSA-N 1 0 335.517 2.705 40 0 EFABRO Cc1ccc([C@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000022887524 212331884 /nfs/dbraw/zinc/33/18/84/212331884.db2.gz MPTOGCNXMRAPRI-HXUWFJFHSA-N 1 0 325.456 2.550 40 0 EFABRO COc1ccc([N+]2=C3CCCN3[C@](O)(c3ccc(OC)cc3)C2)cc1 ZINC000022406515 212295617 /nfs/dbraw/zinc/29/56/17/212295617.db2.gz ZODAJBZYTKCYHE-HXUWFJFHSA-N 1 0 339.415 2.574 40 0 EFABRO c1nn(C2CC[NH2+]CC2)c2ncnc(Nc3ccc4c(c3)CCC4)c12 ZINC000228940081 240233855 /nfs/dbraw/zinc/23/38/55/240233855.db2.gz ZRYNFMMUMYTPLO-UHFFFAOYSA-N 1 0 334.427 2.983 40 0 EFABRO Cc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000193735093 240288585 /nfs/dbraw/zinc/28/85/85/240288585.db2.gz LZIVNMKAQJUPAA-UHFFFAOYSA-N 1 0 338.860 2.628 40 0 EFABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)cn3C)C2)cc1CO ZINC000257339520 240312873 /nfs/dbraw/zinc/31/28/73/240312873.db2.gz ZCBMWMFPHCJZOR-KRWDZBQOSA-N 1 0 343.471 2.999 40 0 EFABRO Cn1cc(C[N@@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)cn1 ZINC000257228919 240313611 /nfs/dbraw/zinc/31/36/11/240313611.db2.gz FVWRBIKOBXOFEB-ICSRJNTNSA-N 1 0 338.455 2.576 40 0 EFABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cccs3)CCO2)[nH+]1 ZINC000257339030 240313737 /nfs/dbraw/zinc/31/37/37/240313737.db2.gz YZWZOPBGZVALLH-OAHLLOKOSA-N 1 0 331.441 2.731 40 0 EFABRO CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194002094 240395590 /nfs/dbraw/zinc/39/55/90/240395590.db2.gz SJDDENZCGHYWQP-KZNAEPCWSA-N 1 0 328.456 2.874 40 0 EFABRO CC[NH+](CC)CCNCc1cc(Br)c(OC)c(OC)c1 ZINC000022076100 212276273 /nfs/dbraw/zinc/27/62/73/212276273.db2.gz IGCRIJVGMNNRDQ-UHFFFAOYSA-N 1 0 345.281 2.898 40 0 EFABRO FC(F)(F)CCN1CCC([NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000195556405 241005134 /nfs/dbraw/zinc/00/51/34/241005134.db2.gz FDRHCFDJQUCGBG-OAHLLOKOSA-N 1 0 328.378 2.997 40 0 EFABRO C[C@H](CC(N)=O)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000195560892 241009253 /nfs/dbraw/zinc/00/92/53/241009253.db2.gz RTAAGJMOAPGYRO-LLVKDONJSA-N 1 0 344.286 2.811 40 0 EFABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2[NH3+])cc1 ZINC000218125674 241300376 /nfs/dbraw/zinc/30/03/76/241300376.db2.gz YNXZHERJGQKRTC-HRCADAONSA-N 1 0 337.828 2.616 40 0 EFABRO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCCCCF)CC1 ZINC000225465767 241878191 /nfs/dbraw/zinc/87/81/91/241878191.db2.gz YKUMGKIOZKHCLH-UHFFFAOYSA-N 1 0 335.467 2.999 40 0 EFABRO COc1cccnc1NC(=S)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225732228 242007219 /nfs/dbraw/zinc/00/72/19/242007219.db2.gz QKJHWCVQEFACNE-OKILXGFUSA-N 1 0 336.505 2.745 40 0 EFABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000225732186 242008704 /nfs/dbraw/zinc/00/87/04/242008704.db2.gz KQTXGMHKVARWNF-KBPBESRZSA-N 1 0 336.505 2.745 40 0 EFABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cccnc1 ZINC000225744406 242014221 /nfs/dbraw/zinc/01/42/21/242014221.db2.gz BUCUVDHPPQBMFA-UHFFFAOYSA-N 1 0 326.469 2.816 40 0 EFABRO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588431 244025356 /nfs/dbraw/zinc/02/53/56/244025356.db2.gz CFJWJQJWSMMIHH-HXUWFJFHSA-N 1 0 341.455 2.711 40 0 EFABRO c1cc2n(c1)C[C@H](Oc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588406 244026469 /nfs/dbraw/zinc/02/64/69/244026469.db2.gz BOHFYVDEUOGEHE-GOSISDBHSA-N 1 0 327.428 2.573 40 0 EFABRO c1cc2n(c1)[C@H](CCOc1ccccn1)C[N@@H+](C1CCOCC1)C2 ZINC000253588726 244026625 /nfs/dbraw/zinc/02/66/25/244026625.db2.gz PTDBQHFDZVJFSR-GOSISDBHSA-N 1 0 327.428 2.888 40 0 EFABRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476461 296132704 /nfs/dbraw/zinc/13/27/04/296132704.db2.gz DHOJUGKNSLRKBS-DNVCBOLYSA-N 1 0 329.419 2.945 40 0 EFABRO c1cc2n(c1)[C@H](COCc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253596592 244030693 /nfs/dbraw/zinc/03/06/93/244030693.db2.gz TTWRIDXECLUHSO-FQEVSTJZSA-N 1 0 341.455 2.883 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000253606725 244036725 /nfs/dbraw/zinc/03/67/25/244036725.db2.gz UFKDWVAPLZPVJC-GOSISDBHSA-N 1 0 339.439 2.875 40 0 EFABRO CC(C)Cc1nsc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000253630081 244041918 /nfs/dbraw/zinc/04/19/18/244041918.db2.gz AKTKPKTVSJGYAP-CABCVRRESA-N 1 0 338.521 2.916 40 0 EFABRO c1cncc(C[C@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)c1 ZINC000257206179 244134369 /nfs/dbraw/zinc/13/43/69/244134369.db2.gz BCEVBWBNBOHBTE-GOSISDBHSA-N 1 0 337.471 2.927 40 0 EFABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccsc2)C1 ZINC000257207448 244139271 /nfs/dbraw/zinc/13/92/71/244139271.db2.gz BHUFSNZWQKDDBU-GOSISDBHSA-N 1 0 348.443 2.596 40 0 EFABRO CC(C)Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)n(C)n1 ZINC000257208044 244140749 /nfs/dbraw/zinc/14/07/49/244140749.db2.gz BKKWSGNUMCEJPA-HKUYNNGSSA-N 1 0 332.492 2.708 40 0 EFABRO NC(=O)CCc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000257210373 244147290 /nfs/dbraw/zinc/14/72/90/244147290.db2.gz BUIQKFIIAVPVGI-GOSISDBHSA-N 1 0 327.403 2.976 40 0 EFABRO Cc1ccc(N(C)[C@@H]2COC3(C2)CC[NH+](Cc2c[nH]cn2)CC3)cc1 ZINC000257211539 244154573 /nfs/dbraw/zinc/15/45/73/244154573.db2.gz BZHMIQQIZZPUHV-IBGZPJMESA-N 1 0 340.471 2.978 40 0 EFABRO Cn1cncc1CN1CC[N@H+](C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257222648 244187089 /nfs/dbraw/zinc/18/70/89/244187089.db2.gz DUEHPGXCKLVJED-QGZVFWFLSA-N 1 0 349.482 2.575 40 0 EFABRO Cc1ccncc1C[N@@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257225843 244202028 /nfs/dbraw/zinc/20/20/28/244202028.db2.gz FIDCKZSGABMPML-KRWDZBQOSA-N 1 0 336.439 2.729 40 0 EFABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2)C1 ZINC000257227333 244204921 /nfs/dbraw/zinc/20/49/21/244204921.db2.gz FOUULAWTVNFINA-FQEVSTJZSA-N 1 0 342.414 2.535 40 0 EFABRO Cn1cc(CN2CC[N@H+](C)C[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231370 244213102 /nfs/dbraw/zinc/21/31/02/244213102.db2.gz GGKJSMKVUXBHRD-KRWDZBQOSA-N 1 0 349.482 2.575 40 0 EFABRO CC1(C)CCC2(CC[NH2+]CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257220230 244181540 /nfs/dbraw/zinc/18/15/40/244181540.db2.gz DKCNGMATOCSUIQ-UHFFFAOYSA-N 1 0 340.464 2.759 40 0 EFABRO Cc1nn2c(nccc2[C@H]2CC[N@@H+](CC(C)C)C2)c1Cn1cccn1 ZINC000257243849 244249978 /nfs/dbraw/zinc/24/99/78/244249978.db2.gz IIVIPIJWCPRTRB-INIZCTEOSA-N 1 0 338.459 2.728 40 0 EFABRO CCCn1ccnc1CN1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233872 244223078 /nfs/dbraw/zinc/22/30/78/244223078.db2.gz GRDACPUBXIIKOA-QGZVFWFLSA-N 1 0 342.491 2.790 40 0 EFABRO Cn1cc(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000020181803 212109778 /nfs/dbraw/zinc/10/97/78/212109778.db2.gz AZTASXKKSPEAHO-UHFFFAOYSA-N 1 0 347.462 2.895 40 0 EFABRO Cc1cc(N)cc([C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)[nH+]1 ZINC000257240032 244243068 /nfs/dbraw/zinc/24/30/68/244243068.db2.gz HRTQFFRMAIEVTQ-QGZVFWFLSA-N 1 0 345.830 2.768 40 0 EFABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257249261 244266193 /nfs/dbraw/zinc/26/61/93/244266193.db2.gz JHMYVFMYCBMQQB-AWEZNQCLSA-N 1 0 340.456 2.807 40 0 EFABRO Cc1ccc(C(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@H+]2C)cc1F ZINC000257251137 244268956 /nfs/dbraw/zinc/26/89/56/244268956.db2.gz JPNPHTPVSGNAOV-KRWDZBQOSA-N 1 0 342.418 2.929 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257253600 244275228 /nfs/dbraw/zinc/27/52/28/244275228.db2.gz JZOAHHXGINYPSU-HNNXBMFYSA-N 1 0 337.427 2.582 40 0 EFABRO CCc1nc(C)c(C[N@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)[nH]1 ZINC000257255554 244280522 /nfs/dbraw/zinc/28/05/22/244280522.db2.gz KHXWFARCIZXNIC-AOIWGVFYSA-N 1 0 329.444 2.683 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257258343 244291609 /nfs/dbraw/zinc/29/16/09/244291609.db2.gz KTKRUDUXTRMUGB-INIZCTEOSA-N 1 0 325.460 2.964 40 0 EFABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000257267087 244363811 /nfs/dbraw/zinc/36/38/11/244363811.db2.gz MFXUEMQWKIQILO-FQEVSTJZSA-N 1 0 339.439 2.934 40 0 EFABRO CC(=O)N1CC2(CC[NH+](Cc3ccc(C)cc3)CC2)C[C@@H](O)C1(C)C ZINC000257264481 244355072 /nfs/dbraw/zinc/35/50/72/244355072.db2.gz LUNXAYSRMZTAIM-LJQANCHMSA-N 1 0 344.499 2.969 40 0 EFABRO CN(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC000257276650 244395599 /nfs/dbraw/zinc/39/55/99/244395599.db2.gz NUPFMFZQZLRABI-GOSISDBHSA-N 1 0 344.434 2.809 40 0 EFABRO COCC[N@@H+]1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 ZINC000257310986 244491109 /nfs/dbraw/zinc/49/11/09/244491109.db2.gz UHKWEJWPIVDZAV-HNNXBMFYSA-N 1 0 329.448 2.747 40 0 EFABRO O=C(CC1CC[NH+](CCc2ccccc2)CC1)N1CCCOCC1 ZINC000019748789 212061826 /nfs/dbraw/zinc/06/18/26/212061826.db2.gz POXNVFRJGFZCRL-UHFFFAOYSA-N 1 0 330.472 2.580 40 0 EFABRO CNc1ncccc1C[N@@H+]1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746720 212061421 /nfs/dbraw/zinc/06/14/21/212061421.db2.gz BTPICVFFJRDOSP-LJQANCHMSA-N 1 0 330.476 2.784 40 0 EFABRO CCOC(=O)c1n[nH]cc1-c1cncn1C[C@H](C)[NH+]1CCC(C)CC1 ZINC000019719709 212057411 /nfs/dbraw/zinc/05/74/11/212057411.db2.gz LSZPJRVYTJPNBJ-AWEZNQCLSA-N 1 0 345.447 2.570 40 0 EFABRO CCOC(=O)c1n[nH]cc1-c1cncn1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000019719708 212057231 /nfs/dbraw/zinc/05/72/31/212057231.db2.gz LSZPJRVYTJPNBJ-CQSZACIVSA-N 1 0 345.447 2.570 40 0 EFABRO COCC[N@@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703666 212056247 /nfs/dbraw/zinc/05/62/47/212056247.db2.gz NNZNNXQXFKLBGP-KRWDZBQOSA-N 1 0 333.407 2.954 40 0 EFABRO CN(C)c1ccc2cc(C(=O)N(C)CC[NH+]3CCCCC3)[nH]c2c1 ZINC000019656446 212052854 /nfs/dbraw/zinc/05/28/54/212052854.db2.gz BHPXTASXYYIOJX-UHFFFAOYSA-N 1 0 328.460 2.792 40 0 EFABRO COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)o1 ZINC000019594484 212049982 /nfs/dbraw/zinc/04/99/82/212049982.db2.gz RYBAJYSSPMHRLT-FQEVSTJZSA-N 1 0 340.423 2.747 40 0 EFABRO Cc1nn(C[C@@H](C)C(=O)NCC[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000019578207 212047260 /nfs/dbraw/zinc/04/72/60/212047260.db2.gz JECUGYHXCDKRRI-CYBMUJFWSA-N 1 0 340.899 2.638 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 ZINC000019590555 212049579 /nfs/dbraw/zinc/04/95/79/212049579.db2.gz UWVKUNHVOFCSCZ-QGZVFWFLSA-N 1 0 340.402 2.581 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 ZINC000019590554 212048590 /nfs/dbraw/zinc/04/85/90/212048590.db2.gz UWVKUNHVOFCSCZ-KRWDZBQOSA-N 1 0 340.402 2.581 40 0 EFABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 ZINC000019589270 212048723 /nfs/dbraw/zinc/04/87/23/212048723.db2.gz WOZCTRKRSNBNGK-GUDVDZBRSA-N 1 0 339.414 2.923 40 0 EFABRO COc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019565459 212043335 /nfs/dbraw/zinc/04/33/35/212043335.db2.gz JHGAQIHMINMUIL-INIZCTEOSA-N 1 0 338.455 2.511 40 0 EFABRO Cc1cc(C)n(C[C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000019573646 212045962 /nfs/dbraw/zinc/04/59/62/212045962.db2.gz BGOAWUGSHNHXBH-APWZRJJASA-N 1 0 340.471 2.842 40 0 EFABRO Cc1cc(C)n(C[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000019573652 212045850 /nfs/dbraw/zinc/04/58/50/212045850.db2.gz BGOAWUGSHNHXBH-VQIMIIECSA-N 1 0 340.471 2.842 40 0 EFABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019503733 212035077 /nfs/dbraw/zinc/03/50/77/212035077.db2.gz IDNLUGYVAIUIRE-HNNXBMFYSA-N 1 0 328.416 2.589 40 0 EFABRO CCc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3cc(OC)ccc3F)C2)n1 ZINC000019522493 212036539 /nfs/dbraw/zinc/03/65/39/212036539.db2.gz JQOWHADRANDZKE-ZDUSSCGKSA-N 1 0 345.418 2.860 40 0 EFABRO CCc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3F)C2)n1 ZINC000019522492 212036224 /nfs/dbraw/zinc/03/62/24/212036224.db2.gz JQOWHADRANDZKE-CYBMUJFWSA-N 1 0 345.418 2.860 40 0 EFABRO C[C@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000019496547 212032646 /nfs/dbraw/zinc/03/26/46/212032646.db2.gz KBXPRKJLVVURMI-NSHDSACASA-N 1 0 346.397 2.679 40 0 EFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1C)Cc1ccccc1O2 ZINC000019495834 212032375 /nfs/dbraw/zinc/03/23/75/212032375.db2.gz RULZVUCBNCEQOK-DSRNLFJRSA-N 1 0 328.456 2.964 40 0 EFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C)Cc1ccccc1O2 ZINC000019495836 212032090 /nfs/dbraw/zinc/03/20/90/212032090.db2.gz RULZVUCBNCEQOK-IKNQFMJRSA-N 1 0 328.456 2.964 40 0 EFABRO COc1cccc(C[N@@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c1F ZINC000019453773 212028568 /nfs/dbraw/zinc/02/85/68/212028568.db2.gz BCNDTTIPJKVNLP-UHFFFAOYSA-N 1 0 345.418 2.642 40 0 EFABRO C[C@@H](NC(=O)CCN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458548 212030340 /nfs/dbraw/zinc/03/03/40/212030340.db2.gz AZVBKEOYZLCXOU-CYBMUJFWSA-N 1 0 349.862 2.901 40 0 EFABRO C[C@@H](Cn1cc(Cl)cn1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000019457383 212030014 /nfs/dbraw/zinc/03/00/14/212030014.db2.gz ZBGTWWPXXHNHIS-ZDUSSCGKSA-N 1 0 326.872 2.553 40 0 EFABRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCN2CCOCC2)cc1 ZINC000019365968 212023177 /nfs/dbraw/zinc/02/31/77/212023177.db2.gz RDKSVTKKTGWFAM-NRFANRHFSA-N 1 0 340.467 2.901 40 0 EFABRO O[C@@H]1C[C@H]2CN(Cc3ccccc3F)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372794 212022877 /nfs/dbraw/zinc/02/28/77/212022877.db2.gz QHNZBXALGIFDPJ-SLFFLAALSA-N 1 0 340.442 2.688 40 0 EFABRO O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292247 212011408 /nfs/dbraw/zinc/01/14/08/212011408.db2.gz SXKSYGUIXUZFKE-QGZVFWFLSA-N 1 0 328.460 2.756 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019082631 212000350 /nfs/dbraw/zinc/00/03/50/212000350.db2.gz JZXZDQJTTFBPOR-CQSZACIVSA-N 1 0 330.476 2.607 40 0 EFABRO [NH3+]CCN[C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000019203789 212004769 /nfs/dbraw/zinc/00/47/69/212004769.db2.gz PEBHFAYCXONKTK-QGZVFWFLSA-N 1 0 336.391 2.655 40 0 EFABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(F)cc3)C2=O)cc1 ZINC000019210606 212004287 /nfs/dbraw/zinc/00/42/87/212004287.db2.gz TXICQISKVQKXHM-QGZVFWFLSA-N 1 0 326.371 2.598 40 0 EFABRO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n2ncnc2n1 ZINC000078338115 217042023 /nfs/dbraw/zinc/04/20/23/217042023.db2.gz QJLQQKPCMNBFNY-CJNGLKHVSA-N 1 0 342.472 2.989 40 0 EFABRO CC(=O)Nc1ccc(CC[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000078411732 217049581 /nfs/dbraw/zinc/04/95/81/217049581.db2.gz POQUUJUXCFRNCW-UHFFFAOYSA-N 1 0 349.438 2.773 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000078394357 217046530 /nfs/dbraw/zinc/04/65/30/217046530.db2.gz GDYMNHVGBNEXPA-QGZVFWFLSA-N 1 0 347.503 2.679 40 0 EFABRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cn2ccnc2C)c1 ZINC000078498589 217063382 /nfs/dbraw/zinc/06/33/82/217063382.db2.gz UZQHBTBGQCXYLF-IBGZPJMESA-N 1 0 340.471 2.730 40 0 EFABRO O=C1OCCN1CCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776796 217120593 /nfs/dbraw/zinc/12/05/93/217120593.db2.gz SSGQEPDVALSQNZ-AWEZNQCLSA-N 1 0 328.416 2.585 40 0 EFABRO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000078996633 217169531 /nfs/dbraw/zinc/16/95/31/217169531.db2.gz GEYZLARRRKXHFC-KDOFPFPSSA-N 1 0 340.471 2.879 40 0 EFABRO Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000078996640 217170218 /nfs/dbraw/zinc/17/02/18/217170218.db2.gz GEYZLARRRKXHFC-KSSFIOAISA-N 1 0 340.471 2.879 40 0 EFABRO COc1cccc(C[C@@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000079036599 217178374 /nfs/dbraw/zinc/17/83/74/217178374.db2.gz MVZDRKAKCRRUEI-OAHLLOKOSA-N 1 0 333.476 2.609 40 0 EFABRO OCC1([NH2+]Cc2cc(Br)ccc2Cl)CCOCC1 ZINC000079035180 217178563 /nfs/dbraw/zinc/17/85/63/217178563.db2.gz RTJRYGLQUXKIQI-UHFFFAOYSA-N 1 0 334.641 2.734 40 0 EFABRO COc1cccc(C[C@H](C)NC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000079036596 217178714 /nfs/dbraw/zinc/17/87/14/217178714.db2.gz MVZDRKAKCRRUEI-HNNXBMFYSA-N 1 0 333.476 2.609 40 0 EFABRO C[C@H]([NH2+]C1(CNC(=O)c2ccco2)CCOCC1)c1ccccc1 ZINC000079096352 217192029 /nfs/dbraw/zinc/19/20/29/217192029.db2.gz GZUPJUKCSBOPRX-HNNXBMFYSA-N 1 0 328.412 2.909 40 0 EFABRO C[NH+](C)CCn1cc(NC(=O)Cc2cc(Cl)ccc2Cl)cn1 ZINC000079330375 217210052 /nfs/dbraw/zinc/21/00/52/217210052.db2.gz QIYHYPGGRDHAFL-UHFFFAOYSA-N 1 0 341.242 2.933 40 0 EFABRO COc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000110619621 220048659 /nfs/dbraw/zinc/04/86/59/220048659.db2.gz VDYFGYFKLJHHTM-BBRMVZONSA-N 1 0 345.468 2.965 40 0 EFABRO CC(C)[N@H+](CCO)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391724 217219261 /nfs/dbraw/zinc/21/92/61/217219261.db2.gz JFFVARNQYMXMRF-GOSISDBHSA-N 1 0 334.460 2.738 40 0 EFABRO COC(=O)[C@H]1C[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)[C@@H](O)C1 ZINC000110653699 220052090 /nfs/dbraw/zinc/05/20/90/220052090.db2.gz IZLZDGVKFWWMJM-KYNGSXCRSA-N 1 0 342.439 2.660 40 0 EFABRO CC(C)N(C[C@H]1CCCCN1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411628 217221793 /nfs/dbraw/zinc/22/17/93/217221793.db2.gz CFCVSRPAOQYBQB-GOSISDBHSA-N 1 0 333.476 2.847 40 0 EFABRO O=C(OCc1ccccc1)N1CCCC[C@H]1C[N@@H+](CCO)C1CC1 ZINC000079390924 217216987 /nfs/dbraw/zinc/21/69/87/217216987.db2.gz CLIGMJYADFFTGY-SFHVURJKSA-N 1 0 332.444 2.634 40 0 EFABRO [NH3+]CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391872 217218876 /nfs/dbraw/zinc/21/88/76/217218876.db2.gz DJUBMRPYFLJRPC-SFHVURJKSA-N 1 0 331.460 2.601 40 0 EFABRO COC1CC[NH+](CCNC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000080000310 217270860 /nfs/dbraw/zinc/27/08/60/217270860.db2.gz IPUSAEFTOOPTCJ-UHFFFAOYSA-N 1 0 331.243 2.834 40 0 EFABRO c1csc(-c2nnn(C[C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000012338002 211351415 /nfs/dbraw/zinc/35/14/15/211351415.db2.gz BQMIRYJBRRSEJZ-HNNXBMFYSA-N 1 0 340.456 2.709 40 0 EFABRO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)[C@H]1CC=CCC1 ZINC000012326058 211349512 /nfs/dbraw/zinc/34/95/12/211349512.db2.gz VURIZMCJUWSYEY-INIZCTEOSA-N 1 0 346.446 2.582 40 0 EFABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012327748 211349072 /nfs/dbraw/zinc/34/90/72/211349072.db2.gz GFESFKXHXLJVNM-SFHVURJKSA-N 1 0 333.378 2.982 40 0 EFABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1CO ZINC000012240413 211328359 /nfs/dbraw/zinc/32/83/59/211328359.db2.gz ROYBYMFTEPMFAR-UHFFFAOYSA-N 1 0 345.414 2.810 40 0 EFABRO O=C(N[C@H]1CCCOC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012194322 211315335 /nfs/dbraw/zinc/31/53/35/211315335.db2.gz CMRVXOPMTZXGLS-INIZCTEOSA-N 1 0 336.863 2.847 40 0 EFABRO CCc1c(C)nc2cc(C3CCOCC3)nn2c1N[C@H](C)C[NH+](C)C ZINC000012155439 211309758 /nfs/dbraw/zinc/30/97/58/211309758.db2.gz PJBBAYPPVGVXME-CYBMUJFWSA-N 1 0 345.491 2.856 40 0 EFABRO CCOC(=O)C1(C[C@@H]2CC(c3ccccc3C)=NO2)CC[NH2+]CC1 ZINC000012157453 211309802 /nfs/dbraw/zinc/30/98/02/211309802.db2.gz BERFRTJUJZJAMJ-HNNXBMFYSA-N 1 0 330.428 2.811 40 0 EFABRO Cc1cc(-c2cnc(NCCC[NH+](C)C)nc2-c2ccncc2)on1 ZINC000012223055 211323720 /nfs/dbraw/zinc/32/37/20/211323720.db2.gz GRVNOIZGZGOSGU-UHFFFAOYSA-N 1 0 338.415 2.866 40 0 EFABRO Cc1nn(CCC(=O)NC(C)(C)C[N@H+]2CCC[C@H](C)C2)c(C)c1C ZINC000012203220 211320663 /nfs/dbraw/zinc/32/06/63/211320663.db2.gz PGFHRVABEYEKGN-AWEZNQCLSA-N 1 0 334.508 2.825 40 0 EFABRO O=c1n(CC[NH+]2CCCCC2)c2cccnc2n1Cc1cccs1 ZINC000012117599 211297612 /nfs/dbraw/zinc/29/76/12/211297612.db2.gz QJRISECHSPONKA-UHFFFAOYSA-N 1 0 342.468 2.794 40 0 EFABRO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)NC1CCCC1 ZINC000012113998 211292861 /nfs/dbraw/zinc/29/28/61/211292861.db2.gz BMXBRSBALJSQRY-UHFFFAOYSA-N 1 0 330.428 2.654 40 0 EFABRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000091335803 217995042 /nfs/dbraw/zinc/99/50/42/217995042.db2.gz SXOLMUXPKFXFCP-HIFRSBDPSA-N 1 0 346.452 2.551 40 0 EFABRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000011853319 211259576 /nfs/dbraw/zinc/25/95/76/211259576.db2.gz DPQPDUSZMXFBBN-UHFFFAOYSA-N 1 0 329.469 2.690 40 0 EFABRO Cc1cc(F)ccc1C[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000091921200 218088712 /nfs/dbraw/zinc/08/87/12/218088712.db2.gz IVSOHUQBXZQAJS-HZPDHXFCSA-N 1 0 348.462 2.982 40 0 EFABRO Cc1ccc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000091920467 218089658 /nfs/dbraw/zinc/08/96/58/218089658.db2.gz QSXGVNLGSYSZOR-ZIAGYGMSSA-N 1 0 336.501 2.904 40 0 EFABRO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691180 211185448 /nfs/dbraw/zinc/18/54/48/211185448.db2.gz YPYYTNSROGEHFJ-UHFFFAOYSA-N 1 0 338.407 2.941 40 0 EFABRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC12OCCO2 ZINC000252490353 284738038 /nfs/dbraw/zinc/73/80/38/284738038.db2.gz KQTLUZCTNAHRAW-SFHVURJKSA-N 1 0 346.471 2.688 40 0 EFABRO CC(C)CCn1cccc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000093669684 218242177 /nfs/dbraw/zinc/24/21/77/218242177.db2.gz MCQUBFJZDQZLKI-UHFFFAOYSA-N 1 0 332.492 2.914 40 0 EFABRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000008883558 211015992 /nfs/dbraw/zinc/01/59/92/211015992.db2.gz SJVFFCTUAMOHSS-UHFFFAOYSA-N 1 0 348.443 2.900 40 0 EFABRO CC1(C)[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H]2CCO[C@@H]21 ZINC000095400941 218335392 /nfs/dbraw/zinc/33/53/92/218335392.db2.gz RLLSBSHYELXTRJ-KURKYZTESA-N 1 0 349.519 2.754 40 0 EFABRO CCc1ocnc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000095418574 218358804 /nfs/dbraw/zinc/35/88/04/218358804.db2.gz UXVKHGAPTYMIDM-UHFFFAOYSA-N 1 0 343.427 2.694 40 0 EFABRO COc1cc(CNC(=O)[C@H]2CCCC[NH2+]2)ccc1OC1CCCC1 ZINC000095426451 218368795 /nfs/dbraw/zinc/36/87/95/218368795.db2.gz OVHPJUFWOLHVKP-MRXNPFEDSA-N 1 0 332.444 2.775 40 0 EFABRO C[C@@H](C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCSCC1 ZINC000095435615 218377577 /nfs/dbraw/zinc/37/75/77/218377577.db2.gz CKAAUSZZOWAVHS-XYJFISCASA-N 1 0 348.512 2.708 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)o1 ZINC000096061232 218554296 /nfs/dbraw/zinc/55/42/96/218554296.db2.gz KJSYLKRABYJKRW-QGZVFWFLSA-N 1 0 332.444 2.724 40 0 EFABRO O=C(c1ccncc1)N1C[C@H]2C[NH+](CCCc3ccccc3)C[C@@H]2C1 ZINC000096081020 218579251 /nfs/dbraw/zinc/57/92/51/218579251.db2.gz DVNPBLBFYUDMJF-WOJBJXKFSA-N 1 0 335.451 2.718 40 0 EFABRO O=C(c1cscn1)N1CCOC2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096158924 218634072 /nfs/dbraw/zinc/63/40/72/218634072.db2.gz FADCPOLAYYFFON-UHFFFAOYSA-N 1 0 349.500 2.640 40 0 EFABRO O=C(c1ccccc1)N1CC2(C[C@@H]1COCC1CC1)CC[NH2+]CC2 ZINC000096220574 218697465 /nfs/dbraw/zinc/69/74/65/218697465.db2.gz RYDHQPZVZSZCRU-GOSISDBHSA-N 1 0 328.456 2.698 40 0 EFABRO Cc1cccc(C(=O)N2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)c1 ZINC000096220767 218697513 /nfs/dbraw/zinc/69/75/13/218697513.db2.gz RRIUICPSYGBLAE-SFHVURJKSA-N 1 0 328.456 2.855 40 0 EFABRO Cn1cccc1C[NH+]1CCC2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096228151 218704178 /nfs/dbraw/zinc/70/41/78/218704178.db2.gz QQDNNOXTZSVHDI-UHFFFAOYSA-N 1 0 338.455 2.577 40 0 EFABRO Brc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217557493 532959208 /nfs/dbraw/zinc/95/92/08/532959208.db2.gz QULDMIPQJBLIAB-NSHDSACASA-N 1 0 344.216 2.631 40 0 EFABRO Brc1cccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)c1 ZINC000217557005 532966499 /nfs/dbraw/zinc/96/64/99/532966499.db2.gz TXRMRRSILVNFBG-ZDUSSCGKSA-N 1 0 344.216 2.978 40 0 EFABRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000096466987 218846153 /nfs/dbraw/zinc/84/61/53/218846153.db2.gz WXWLQJZDLYVMSR-IAGOWNOFSA-N 1 0 347.459 2.504 40 0 EFABRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000096491701 218868791 /nfs/dbraw/zinc/86/87/91/218868791.db2.gz UNOBETPBVCWCRN-JKSUJKDBSA-N 1 0 331.522 2.775 40 0 EFABRO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073475 210385605 /nfs/dbraw/zinc/38/56/05/210385605.db2.gz FCYDSJVNZCQEOT-BPQIPLTHSA-N 1 0 343.423 2.555 40 0 EFABRO O=C(OC[C@@H]1CCCC[NH2+]1)C(O)(c1ccccc1)c1ccccc1 ZINC000005065138 210381485 /nfs/dbraw/zinc/38/14/85/210381485.db2.gz YKBQGBPXKPOVFM-SFHVURJKSA-N 1 0 325.408 2.608 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccccc1C ZINC000005015116 210362684 /nfs/dbraw/zinc/36/26/84/210362684.db2.gz KGAWJQNCPLJPKH-MRXNPFEDSA-N 1 0 325.432 2.777 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnn2C)cc1 ZINC000097375031 219018508 /nfs/dbraw/zinc/01/85/08/219018508.db2.gz JLPXCJJTARMXNG-QZTJIDSGSA-N 1 0 347.484 2.603 40 0 EFABRO COc1cccc(C(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004777367 210276752 /nfs/dbraw/zinc/27/67/52/210276752.db2.gz HVAVOXHNZSHXEB-SOLBZPMBSA-N 1 0 326.440 2.665 40 0 EFABRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000055377811 296390611 /nfs/dbraw/zinc/39/06/11/296390611.db2.gz HEFAQUJGOKMAPG-CQSZACIVSA-N 1 0 332.492 2.977 40 0 EFABRO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117032529 221025868 /nfs/dbraw/zinc/02/58/68/221025868.db2.gz LREZYYSOHHRBNE-QAPCUYQASA-N 1 0 349.475 2.507 40 0 EFABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000242574891 257683762 /nfs/dbraw/zinc/68/37/62/257683762.db2.gz NIEWYMNUGXVWDQ-OAGGEKHMSA-N 1 0 339.819 2.994 40 0 EFABRO Cc1cc(CN2Cc3ccnn3[C@@H](CC[NH+]3CCCCC3)C2)no1 ZINC000306138149 257922994 /nfs/dbraw/zinc/92/29/94/257922994.db2.gz RQRBXOBKCJPARP-SFHVURJKSA-N 1 0 329.448 2.612 40 0 EFABRO CSc1ccccc1C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000280388567 257986906 /nfs/dbraw/zinc/98/69/06/257986906.db2.gz KGJIQXYJRVQNFF-AWEZNQCLSA-N 1 0 342.530 2.512 40 0 EFABRO C[C@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H](C)O1 ZINC000097044932 258068223 /nfs/dbraw/zinc/06/82/23/258068223.db2.gz YUHXPZZFASYIRI-UWVGGRQHSA-N 1 0 348.274 2.939 40 0 EFABRO Cc1cc(N2CC[NH+](C)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000035314332 132389680 /nfs/dbraw/zinc/38/96/80/132389680.db2.gz FIWORXVSBDMYKK-UHFFFAOYSA-N 1 0 325.391 2.596 40 0 EFABRO COC(=O)c1cccc(OC[C@@H](O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000032682336 292019740 /nfs/dbraw/zinc/01/97/40/292019740.db2.gz WBOPWPLYAIEBJQ-KRWDZBQOSA-N 1 0 337.460 2.827 40 0 EFABRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000120965644 221721645 /nfs/dbraw/zinc/72/16/45/221721645.db2.gz GGFNUWJFTUTURU-UHFFFAOYSA-N 1 0 332.469 2.850 40 0 EFABRO C[N@H+](C[C@H]1CCOC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486766 544558663 /nfs/dbraw/zinc/55/86/63/544558663.db2.gz QOTLJDDOOGQCBJ-IAQYHMDHSA-N 1 0 326.799 2.553 40 0 EFABRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000090943728 274207744 /nfs/dbraw/zinc/20/77/44/274207744.db2.gz PEICCPQBNBMYQE-ZETCQYMHSA-N 1 0 339.155 2.821 40 0 EFABRO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000192187834 275025768 /nfs/dbraw/zinc/02/57/68/275025768.db2.gz UETIZNIZIGIURD-GOSISDBHSA-N 1 0 336.439 2.547 40 0 EFABRO CCN(C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1)CC(F)(F)F ZINC000252486718 276351640 /nfs/dbraw/zinc/35/16/40/276351640.db2.gz MLRGYOLSODOXHV-JQFCIGGWSA-N 1 0 342.405 2.851 40 0 EFABRO C[NH+](C)[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000057838487 276780756 /nfs/dbraw/zinc/78/07/56/276780756.db2.gz BJHRSSWEQWHREF-LLVKDONJSA-N 1 0 336.379 2.511 40 0 EFABRO COc1cccc([C@@H]2Cn3ccnc3CN2C2CC[NH+](C)CC2)c1 ZINC000257216169 278020858 /nfs/dbraw/zinc/02/08/58/278020858.db2.gz CTKVDDZGZODDQL-SFHVURJKSA-N 1 0 326.444 2.543 40 0 EFABRO CC(C)n1nc(CN2CCCCC2)c2c1C[N@@H+](C1CCOCC1)C2 ZINC000096259170 278142014 /nfs/dbraw/zinc/14/20/14/278142014.db2.gz GGRYGWADAZILDI-UHFFFAOYSA-N 1 0 332.492 2.945 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@H]2C(=O)C1 ZINC000095951395 278408529 /nfs/dbraw/zinc/40/85/29/278408529.db2.gz KCWJWWVVXSJNTG-YQQAZPJKSA-N 1 0 330.428 2.568 40 0 EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000253369530 279135342 /nfs/dbraw/zinc/13/53/42/279135342.db2.gz DSKPNXWXOUYROV-VHDGCEQUSA-N 1 0 349.479 2.799 40 0 EFABRO C[C@H]1C[NH+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000035092977 279863411 /nfs/dbraw/zinc/86/34/11/279863411.db2.gz FBOZRYQGULRQCH-FGMWCOEWSA-N 1 0 337.504 2.690 40 0 EFABRO CCO[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C12CCC2 ZINC000074605484 279930049 /nfs/dbraw/zinc/93/00/49/279930049.db2.gz LCUWXJGMXHFEFD-IRXDYDNUSA-N 1 0 335.492 2.604 40 0 EFABRO O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000153356985 280137893 /nfs/dbraw/zinc/13/78/93/280137893.db2.gz ADEKDESWGLRTFH-DZGCQCFKSA-N 1 0 337.261 2.592 40 0 EFABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)C ZINC000079410245 280272223 /nfs/dbraw/zinc/27/22/23/280272223.db2.gz GYIPKTDGVLFJQF-CABCVRRESA-N 1 0 341.496 2.606 40 0 EFABRO Cc1cccc(CO[C@H]2C[N@H+](Cc3ccoc3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096187146 281218974 /nfs/dbraw/zinc/21/89/74/281218974.db2.gz FFRXIDNNNPIFGH-QYZOEREBSA-N 1 0 328.412 2.932 40 0 EFABRO Cc1cnn(CC[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190966836 281694137 /nfs/dbraw/zinc/69/41/37/281694137.db2.gz FSVDXHOSFJRKBC-KRWDZBQOSA-N 1 0 326.444 2.512 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072359089 282055527 /nfs/dbraw/zinc/05/55/27/282055527.db2.gz ZJCKIXFSVINMPN-HNNXBMFYSA-N 1 0 342.418 2.550 40 0 EFABRO Cc1ccccc1[C@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000012630174 292707325 /nfs/dbraw/zinc/70/73/25/292707325.db2.gz OIULJUTVYITUCO-KRWDZBQOSA-N 1 0 349.394 2.602 40 0 EFABRO COc1ccccc1[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096491633 295397930 /nfs/dbraw/zinc/39/79/30/295397930.db2.gz GFQUEAKWQYVZPD-UNEWFSDZSA-N 1 0 325.474 2.744 40 0 EFABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCO2)C1 ZINC000048884551 297228400 /nfs/dbraw/zinc/22/84/00/297228400.db2.gz AYKMYCWTZDMWQL-MDZRGWNJSA-N 1 0 330.472 2.960 40 0 EFABRO Cc1cccnc1[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C(C)C ZINC000096424413 302247524 /nfs/dbraw/zinc/24/75/24/302247524.db2.gz ABJNBSPONLIWRQ-CHWSQXEVSA-N 1 0 329.366 2.840 40 0 EFABRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230709 323213764 /nfs/dbraw/zinc/21/37/64/323213764.db2.gz HCARPXJLPRLOCA-KBPBESRZSA-N 1 0 344.908 2.722 40 0 EFABRO C[C@@H](CCn1cccn1)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000097234777 323213905 /nfs/dbraw/zinc/21/39/05/323213905.db2.gz RAFPCBNFMLOCQD-INIZCTEOSA-N 1 0 347.507 2.758 40 0 EFABRO c1csc(N2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)n1 ZINC000097237282 323214188 /nfs/dbraw/zinc/21/41/88/323214188.db2.gz ZKYRITRWNLMGMW-UHFFFAOYSA-N 1 0 331.441 2.673 40 0 EFABRO Cc1cc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Cl ZINC000097374994 323214865 /nfs/dbraw/zinc/21/48/65/323214865.db2.gz ZDLXIJWAWVLOMS-UHFFFAOYSA-N 1 0 335.839 2.728 40 0 EFABRO CN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCOC1 ZINC000106943605 323215224 /nfs/dbraw/zinc/21/52/24/323215224.db2.gz LTVWDWIWSQUQQI-QGZVFWFLSA-N 1 0 349.500 2.531 40 0 EFABRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183130072 323317861 /nfs/dbraw/zinc/31/78/61/323317861.db2.gz DMWKKGRLSRMNDF-INIZCTEOSA-N 1 0 332.492 2.768 40 0 EFABRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2c3ccccc3-c3ccccc32)O1 ZINC000183925289 323351459 /nfs/dbraw/zinc/35/14/59/323351459.db2.gz KNURNTONXDISPG-LIRRHRJNSA-N 1 0 336.435 2.982 40 0 EFABRO C[C@@H](C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975242 323429297 /nfs/dbraw/zinc/42/92/97/323429297.db2.gz ICYOFGPLAUHLOG-BLLLJJGKSA-N 1 0 332.835 2.572 40 0 EFABRO CC(C)n1nnnc1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189947328 323452858 /nfs/dbraw/zinc/45/28/58/323452858.db2.gz LOMOJHHAWGZQQJ-HZPDHXFCSA-N 1 0 342.491 2.500 40 0 EFABRO COC(=O)[C@@H]1C[C@@H](O)[C@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000081647424 473238433 /nfs/dbraw/zinc/23/84/33/473238433.db2.gz IZLZDGVKFWWMJM-GDIGMMSISA-N 1 0 342.439 2.660 40 0 EFABRO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000081689303 473242997 /nfs/dbraw/zinc/24/29/97/473242997.db2.gz IYHGUNDDKUWQSA-AWEZNQCLSA-N 1 0 348.516 2.844 40 0 EFABRO COCC[N@@H+]1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000081714775 473246259 /nfs/dbraw/zinc/24/62/59/473246259.db2.gz CEPFHKKPLUJSJO-UHFFFAOYSA-N 1 0 347.846 2.683 40 0 EFABRO O=C(c1cccc(Cl)c1)N1CC[N@@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096038540 473258395 /nfs/dbraw/zinc/25/83/95/473258395.db2.gz JNQRRKCPSKJZKJ-DLBZAZTESA-N 1 0 334.847 2.665 40 0 EFABRO O=C(NCc1cccs1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000096038951 473258965 /nfs/dbraw/zinc/25/89/65/473258965.db2.gz RKTQDFYPSKRIPA-DJIMGWMZSA-N 1 0 346.452 2.637 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096040349 473261363 /nfs/dbraw/zinc/26/13/63/473261363.db2.gz YBAAHNBWFGSKGV-UYAOXDASSA-N 1 0 339.439 2.927 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@@H]3OC[C@H](C(=O)NCC4CC4)C[C@@H]3C2)o1 ZINC000096042633 473264903 /nfs/dbraw/zinc/26/49/03/473264903.db2.gz IGWPBDPSXSBJDM-MDZRGWNJSA-N 1 0 346.471 2.595 40 0 EFABRO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042993 473265374 /nfs/dbraw/zinc/26/53/74/473265374.db2.gz XBLIIOCWUYBRLM-BHYGNILZSA-N 1 0 334.485 2.786 40 0 EFABRO CN1C[C@H](COCC2CC2)[C@H]2CC[N@H+](Cc3ccco3)CC[C@H]2C1=O ZINC000096041109 473261112 /nfs/dbraw/zinc/26/11/12/473261112.db2.gz ALPOPJAZYHNAEU-BHIYHBOVSA-N 1 0 346.471 2.623 40 0 EFABRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096046545 473267044 /nfs/dbraw/zinc/26/70/44/473267044.db2.gz CUXMGUKBPOXQHP-UHFFFAOYSA-N 1 0 342.468 2.666 40 0 EFABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096047032 473268399 /nfs/dbraw/zinc/26/83/99/473268399.db2.gz UVRHSCORVZRIGU-IBGZPJMESA-N 1 0 325.412 2.803 40 0 EFABRO COc1ccc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)cc1 ZINC000096047800 473268510 /nfs/dbraw/zinc/26/85/10/473268510.db2.gz PLQNUBGIODNEME-QGZVFWFLSA-N 1 0 341.455 2.967 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)o1 ZINC000096047639 473269243 /nfs/dbraw/zinc/26/92/43/473269243.db2.gz CEUJYYKUQVHSDF-KBXCAEBGSA-N 1 0 331.391 2.968 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048330 473271169 /nfs/dbraw/zinc/27/11/69/473271169.db2.gz GYXAQIDRUQQLRO-YOEHRIQHSA-N 1 0 330.457 2.774 40 0 EFABRO c1coc(C[NH+]2CCC3(CC2)CN(Cc2nccs2)CCO3)c1 ZINC000096048972 473271248 /nfs/dbraw/zinc/27/12/48/473271248.db2.gz ZBBQBNDCPBGFPT-UHFFFAOYSA-N 1 0 333.457 2.603 40 0 EFABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096048655 473271790 /nfs/dbraw/zinc/27/17/90/473271790.db2.gz YBAGZHXNRZMMEF-GOSISDBHSA-N 1 0 342.468 2.553 40 0 EFABRO O=C1C[C@@]2(CC[N@H+](Cc3ccncc3)C2)CN1c1cccc(F)c1 ZINC000096050734 473273992 /nfs/dbraw/zinc/27/39/92/473273992.db2.gz MMFCQBTUOMEUQQ-LJQANCHMSA-N 1 0 325.387 2.850 40 0 EFABRO Fc1ccc(CN2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052022 473276109 /nfs/dbraw/zinc/27/61/09/473276109.db2.gz UBJDVHBBLSDMBF-UYAOXDASSA-N 1 0 348.462 2.529 40 0 EFABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051176 473276600 /nfs/dbraw/zinc/27/66/00/473276600.db2.gz SDLQFQWGLTVADH-INIZCTEOSA-N 1 0 334.370 2.807 40 0 EFABRO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4nccs4)CC[N@@H+]3C2)c1 ZINC000096055144 473278727 /nfs/dbraw/zinc/27/87/27/473278727.db2.gz QGRWLWBWGURQKP-GDBMZVCRSA-N 1 0 333.432 2.620 40 0 EFABRO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccs4)CC[N@@H+]3C2)n1 ZINC000096055068 473279769 /nfs/dbraw/zinc/27/97/69/473279769.db2.gz ALPOSNWRPHAPTP-ZWKOTPCHSA-N 1 0 343.496 2.927 40 0 EFABRO O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096054139 473279852 /nfs/dbraw/zinc/27/98/52/473279852.db2.gz XLBWIYXTDKVSQH-CHWSQXEVSA-N 1 0 333.482 2.799 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](Cc4nc(C)no4)[C@@H]3C2)s1 ZINC000096057251 473280680 /nfs/dbraw/zinc/28/06/80/473280680.db2.gz YRGNEDZBUOFWOT-FMKPAKJESA-N 1 0 333.457 2.685 40 0 EFABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000096056639 473281091 /nfs/dbraw/zinc/28/10/91/473281091.db2.gz LQIYZQOXAYRTSK-RTBURBONSA-N 1 0 336.439 2.551 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)s1 ZINC000096057462 473281386 /nfs/dbraw/zinc/28/13/86/473281386.db2.gz HTVWKYYGTNAPSX-BRWVUGGUSA-N 1 0 334.485 2.705 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096057073 473281578 /nfs/dbraw/zinc/28/15/78/473281578.db2.gz PAEYRUOOJLVMPW-ICSRJNTNSA-N 1 0 339.439 2.927 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096057071 473281763 /nfs/dbraw/zinc/28/17/63/473281763.db2.gz PAEYRUOOJLVMPW-QUCCMNQESA-N 1 0 339.439 2.927 40 0 EFABRO Fc1ccc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000096057931 473281873 /nfs/dbraw/zinc/28/18/73/473281873.db2.gz AEMRPYRVPWYWJS-XUVXKRRUSA-N 1 0 348.462 2.670 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096057074 473282097 /nfs/dbraw/zinc/28/20/97/473282097.db2.gz PAEYRUOOJLVMPW-AZUAARDMSA-N 1 0 339.439 2.927 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)cc1 ZINC000096058242 473282184 /nfs/dbraw/zinc/28/21/84/473282184.db2.gz CSTCOCILUVJCSY-BHYGNILZSA-N 1 0 329.400 2.739 40 0 EFABRO O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096058259 473283341 /nfs/dbraw/zinc/28/33/41/473283341.db2.gz UUELLKFAYDCJKZ-CEXWTWQISA-N 1 0 346.446 2.579 40 0 EFABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]21 ZINC000096058337 473283774 /nfs/dbraw/zinc/28/37/74/473283774.db2.gz BWCYDLDWTCXKDD-BZSNNMDCSA-N 1 0 334.485 2.589 40 0 EFABRO c1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)nc1 ZINC000096058347 473284091 /nfs/dbraw/zinc/28/40/91/473284091.db2.gz VKHVFKBQLFCEQG-ACRUOGEOSA-N 1 0 335.451 2.684 40 0 EFABRO Cc1cccc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC000096061992 473285088 /nfs/dbraw/zinc/28/50/88/473285088.db2.gz ZTVHUEAHIOKTBS-HNNXBMFYSA-N 1 0 341.459 2.644 40 0 EFABRO c1ccc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2cccnc2)cc1 ZINC000096061690 473285139 /nfs/dbraw/zinc/28/51/39/473285139.db2.gz WYGYMRPSMSYDKW-RTWAWAEBSA-N 1 0 337.467 2.599 40 0 EFABRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1cccs1)CC2 ZINC000096061373 473285587 /nfs/dbraw/zinc/28/55/87/473285587.db2.gz OOWKTASHZCIMQO-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO O=C([C@@H]1CCC2(CC[NH+](Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096061223 473286176 /nfs/dbraw/zinc/28/61/76/473286176.db2.gz NZMHQILWNBBZFM-INIZCTEOSA-N 1 0 334.485 2.884 40 0 EFABRO C[C@@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1ccsc1)CC2 ZINC000096062243 473286208 /nfs/dbraw/zinc/28/62/08/473286208.db2.gz NXKACAMLEAFCGA-AWEZNQCLSA-N 1 0 334.485 2.740 40 0 EFABRO O=C(c1ccc(F)cc1)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096063062 473287375 /nfs/dbraw/zinc/28/73/75/473287375.db2.gz VWXVVAJOBBOMKN-QGZVFWFLSA-N 1 0 332.419 2.685 40 0 EFABRO Cc1ccc(C(=O)N2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1 ZINC000096063059 473287595 /nfs/dbraw/zinc/28/75/95/473287595.db2.gz QMFARGMGNDFHPO-SFHVURJKSA-N 1 0 328.456 2.855 40 0 EFABRO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@H+](Cc3ccco3)CC[C@H]2C1=O ZINC000096066436 473288145 /nfs/dbraw/zinc/28/81/45/473288145.db2.gz ALPOPJAZYHNAEU-QXAKKESOSA-N 1 0 346.471 2.623 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096073768 473288887 /nfs/dbraw/zinc/28/88/87/473288887.db2.gz NXQJJXWQEMDRAY-YOEHRIQHSA-N 1 0 330.457 2.774 40 0 EFABRO O=C(C1CC1)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096078130 473291173 /nfs/dbraw/zinc/29/11/73/473291173.db2.gz BIBVQUXFQQOIPT-QGZVFWFLSA-N 1 0 335.398 2.551 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccc(C)o1)CC2 ZINC000096078390 473291424 /nfs/dbraw/zinc/29/14/24/473291424.db2.gz XRKISKJGBCHQFZ-MRXNPFEDSA-N 1 0 334.460 2.940 40 0 EFABRO Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080985 473291811 /nfs/dbraw/zinc/29/18/11/473291811.db2.gz NISIFTQRVPZAGW-IYBDPMFKSA-N 1 0 327.453 2.656 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096093131 473292918 /nfs/dbraw/zinc/29/29/18/473292918.db2.gz WGBMNJFLCDDFLK-WMLDXEAASA-N 1 0 348.447 2.831 40 0 EFABRO CC[C@H]1[N@H+](Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096100127 473296173 /nfs/dbraw/zinc/29/61/73/473296173.db2.gz NSUTYSMGCJYIJU-MJGOQNOKSA-N 1 0 332.444 2.727 40 0 EFABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccccn3)C[C@@H]12 ZINC000096100391 473296714 /nfs/dbraw/zinc/29/67/14/473296714.db2.gz DPDSYFWIKNYOCV-NHCUHLMSSA-N 1 0 335.451 2.846 40 0 EFABRO c1cncc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096106716 473299063 /nfs/dbraw/zinc/29/90/63/473299063.db2.gz NAXCWEZNCSKOGL-SFHVURJKSA-N 1 0 325.412 2.679 40 0 EFABRO CO[C@H]1CCN(Cc2scnc2C)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109499 473301410 /nfs/dbraw/zinc/30/14/10/473301410.db2.gz ZPFLPNWUCQCLHV-BBWFWOEESA-N 1 0 347.484 2.766 40 0 EFABRO O=C(C1=CCCC1)N1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108230 473301691 /nfs/dbraw/zinc/30/16/91/473301691.db2.gz CKCOOFWIBMGGOY-DLBZAZTESA-N 1 0 332.469 2.518 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccsc4)CCO[C@@H]3C2)o1 ZINC000096108218 473301998 /nfs/dbraw/zinc/30/19/98/473301998.db2.gz LVDHLHREGZEUBX-DOTOQJQBSA-N 1 0 346.452 2.623 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)o1 ZINC000096109215 473302678 /nfs/dbraw/zinc/30/26/78/473302678.db2.gz FNSWYEZTAIPNEE-XLIONFOSSA-N 1 0 346.471 2.829 40 0 EFABRO c1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)c1 ZINC000096108762 473302765 /nfs/dbraw/zinc/30/27/65/473302765.db2.gz GPAVKGDLLHPIGG-SJLPKXTDSA-N 1 0 337.485 2.640 40 0 EFABRO c1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1 ZINC000096108864 473302812 /nfs/dbraw/zinc/30/28/12/473302812.db2.gz BXYAFQHSNKXRIM-SJLPKXTDSA-N 1 0 330.453 2.808 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)o1 ZINC000096108465 473302921 /nfs/dbraw/zinc/30/29/21/473302921.db2.gz SVLIEXAEDUTHIR-QAPCUYQASA-N 1 0 346.452 2.528 40 0 EFABRO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4cccnc4)CC[N@@H+]3C2)c1 ZINC000096110705 473303436 /nfs/dbraw/zinc/30/34/36/473303436.db2.gz JSBVORPPEWRCAE-HKUYNNGSSA-N 1 0 327.403 2.558 40 0 EFABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1Cc1cccnc1 ZINC000096110748 473303516 /nfs/dbraw/zinc/30/35/16/473303516.db2.gz AMEAAZDACQRYEQ-IAGOWNOFSA-N 1 0 327.453 2.909 40 0 EFABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2nccs2)OC3)cc1 ZINC000096112933 473305280 /nfs/dbraw/zinc/30/52/80/473305280.db2.gz CLEXVNKVUKWQFL-AWEZNQCLSA-N 1 0 344.415 2.834 40 0 biogenic,in-vitro EFABRO Clc1ccc(-c2cnc3n2C[C@H](C[NH2+]C2CCOCC2)OC3)cc1 ZINC000096112927 473305765 /nfs/dbraw/zinc/30/57/65/473305765.db2.gz PMVJUGYPNRZDRR-INIZCTEOSA-N 1 0 347.846 2.871 40 0 biogenic,in-vitro EFABRO CCCNC(=O)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC000096155917 473316699 /nfs/dbraw/zinc/31/66/99/473316699.db2.gz ITWOOSUQTLZRFY-UHFFFAOYSA-N 1 0 340.471 2.611 40 0 EFABRO O=C([C@H]1CCCO1)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000096158403 473317596 /nfs/dbraw/zinc/31/75/96/473317596.db2.gz QTHZSTPDYLXNIY-OAHLLOKOSA-N 1 0 349.500 2.527 40 0 EFABRO Cn1cccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158057 473318241 /nfs/dbraw/zinc/31/82/41/473318241.db2.gz DJRYUYPQBYEDDY-HXUWFJFHSA-N 1 0 338.455 2.548 40 0 EFABRO Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC000096158830 473318370 /nfs/dbraw/zinc/31/83/70/473318370.db2.gz LCHZWKCIWPOIQH-UHFFFAOYSA-N 1 0 344.484 2.718 40 0 EFABRO Cc1cnc(N2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@H+](C)Cc2ccccn2)nc1 ZINC000096183048 473324290 /nfs/dbraw/zinc/32/42/90/473324290.db2.gz FFHMTAVDRKLYBU-NEWSRXKRSA-N 1 0 337.471 2.917 40 0 EFABRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccs2)n1 ZINC000096184190 473325924 /nfs/dbraw/zinc/32/59/24/473325924.db2.gz MATFEKDINOZCKM-DLBZAZTESA-N 1 0 327.453 2.827 40 0 EFABRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000096185690 473326243 /nfs/dbraw/zinc/32/62/43/473326243.db2.gz OGEKAJRJTFCGIR-HOJAQTOUSA-N 1 0 339.487 2.652 40 0 EFABRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccc(F)c2)N1Cc1cccnc1 ZINC000096184012 473326665 /nfs/dbraw/zinc/32/66/65/473326665.db2.gz WMPCXKAVWRCBHI-ZWKOTPCHSA-N 1 0 325.387 2.596 40 0 EFABRO c1ccc(COC[C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccccn3)O2)nc1 ZINC000096186164 473326907 /nfs/dbraw/zinc/32/69/07/473326907.db2.gz MAMGHHAGJDHMSD-UFYCRDLUSA-N 1 0 339.439 2.815 40 0 EFABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21)c1ccco1 ZINC000096185471 473327405 /nfs/dbraw/zinc/32/74/05/473327405.db2.gz HTBINCONFNJJKG-JLJPHGGASA-N 1 0 346.452 2.608 40 0 EFABRO CC(C)[N@@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096185595 473327504 /nfs/dbraw/zinc/32/75/04/473327504.db2.gz BHHLNGLQQLKCSY-QYZOEREBSA-N 1 0 345.487 2.689 40 0 EFABRO Cc1cccc(N2CC[C@@H]3[C@@H](C[N@@H+](C)Cc4ccco4)OC[C@@H]3C2)n1 ZINC000096185356 473327740 /nfs/dbraw/zinc/32/77/40/473327740.db2.gz YLFNJASNOBLICE-YTQUADARSA-N 1 0 341.455 2.956 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096187109 473328895 /nfs/dbraw/zinc/32/88/95/473328895.db2.gz OXOGDDNTBGRWRG-VYDXJSESSA-N 1 0 331.441 2.657 40 0 EFABRO CC[NH+](CC)C[C@@H]1Cn2ccnc2CN(C(=O)c2cccs2)C1 ZINC000096188292 473331241 /nfs/dbraw/zinc/33/12/41/473331241.db2.gz WWOPOIVPFXRLFX-CQSZACIVSA-N 1 0 332.473 2.559 40 0 EFABRO O=c1ccc2c(n1Cc1cccnc1)CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000096196584 473332014 /nfs/dbraw/zinc/33/20/14/473332014.db2.gz HVEPHBDGBZPWJY-KRWDZBQOSA-N 1 0 335.407 2.532 40 0 EFABRO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](C1CCOCC1)C2 ZINC000096199101 473335646 /nfs/dbraw/zinc/33/56/46/473335646.db2.gz QVRGWTSROWSJLE-UHFFFAOYSA-N 1 0 338.455 2.786 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC000096199592 473335802 /nfs/dbraw/zinc/33/58/02/473335802.db2.gz GEWIJJXGWDRLRS-GOSISDBHSA-N 1 0 339.439 2.930 40 0 EFABRO COCCO[C@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200506 473336019 /nfs/dbraw/zinc/33/60/19/473336019.db2.gz MKUCCCUSERPHJN-ROUUACIJSA-N 1 0 332.469 2.992 40 0 EFABRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@@H](C)c1ccccc1 ZINC000083231924 473336183 /nfs/dbraw/zinc/33/61/83/473336183.db2.gz MGBADACTJOFUTP-CVEARBPZSA-N 1 0 333.476 2.589 40 0 EFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2F)[C@H]1Cc1ccncc1 ZINC000096201002 473336772 /nfs/dbraw/zinc/33/67/72/473336772.db2.gz VCEMIXDCSHCXPZ-MSOLQXFVSA-N 1 0 327.403 2.608 40 0 EFABRO Cc1nc(CN2CCOC[C@]3(CC[N@H+](Cc4ccco4)C3)C2)cs1 ZINC000096202127 473337388 /nfs/dbraw/zinc/33/73/88/473337388.db2.gz PHFPNHORYZXDJC-SFHVURJKSA-N 1 0 347.484 2.769 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)s1 ZINC000096201388 473338173 /nfs/dbraw/zinc/33/81/73/473338173.db2.gz SHOPQBACFBHKKS-UHFFFAOYSA-N 1 0 334.485 2.660 40 0 EFABRO Cc1cc(C[NH+]2CCC3(CN(Cc4cccnc4)C3=O)CC2)oc1C ZINC000096202884 473338511 /nfs/dbraw/zinc/33/85/11/473338511.db2.gz NCOQOCRISGGVBS-UHFFFAOYSA-N 1 0 339.439 2.916 40 0 EFABRO CCOC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)[N@@H+]1C ZINC000096208205 473342890 /nfs/dbraw/zinc/34/28/90/473342890.db2.gz MOJHSIBNSSGRJS-QGZVFWFLSA-N 1 0 334.435 2.931 40 0 EFABRO O=C(Cc1ccc(F)cc1)N1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096207093 473342980 /nfs/dbraw/zinc/34/29/80/473342980.db2.gz SORXTEJWIYDHRH-AZUAARDMSA-N 1 0 346.446 2.614 40 0 EFABRO O=C(C[C@H]1C[NH2+]CCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733928 473343138 /nfs/dbraw/zinc/34/31/38/473343138.db2.gz YNIJSHOWINIBGF-PKOBYXMFSA-N 1 0 344.842 2.924 40 0 EFABRO Cc1cccc(CN2CCOC[C@]3(CC[N@H+](Cc4ccco4)C3)C2)n1 ZINC000096202133 473339165 /nfs/dbraw/zinc/33/91/65/473339165.db2.gz AZZVLKHUSNNHAE-FQEVSTJZSA-N 1 0 341.455 2.708 40 0 EFABRO c1cncc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)c1 ZINC000096205855 473340316 /nfs/dbraw/zinc/34/03/16/473340316.db2.gz MILGTVIWQBMGBY-IBGZPJMESA-N 1 0 339.439 2.817 40 0 EFABRO c1ncn2c1C[N@H+](CCc1ccccc1)C[C@@H](COCC1CC1)C2 ZINC000096206229 473341041 /nfs/dbraw/zinc/34/10/41/473341041.db2.gz KOWHMWVMHBYBGD-LJQANCHMSA-N 1 0 325.456 2.984 40 0 EFABRO COC[C@@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208261 473342191 /nfs/dbraw/zinc/34/21/91/473342191.db2.gz RFXLRQUBJFVJLV-SFHVURJKSA-N 1 0 332.488 2.692 40 0 EFABRO O=C(Cc1ccsc1)N1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096206974 473342652 /nfs/dbraw/zinc/34/26/52/473342652.db2.gz AETIYZDDYUDYKI-FUHWJXTLSA-N 1 0 334.485 2.537 40 0 EFABRO CCOC[C@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@@H+]1CC1CC1 ZINC000096208259 473342788 /nfs/dbraw/zinc/34/27/88/473342788.db2.gz HWDCBZWFNHOZMD-QGZVFWFLSA-N 1 0 348.466 2.866 40 0 EFABRO CC[NH+](CC)[C@@H]1CCO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096208699 473345208 /nfs/dbraw/zinc/34/52/08/473345208.db2.gz PVHIBULETVHJAK-SJLPKXTDSA-N 1 0 336.501 2.783 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096208927 473345533 /nfs/dbraw/zinc/34/55/33/473345533.db2.gz NSWVYLLMBBXMQU-GUYCJALGSA-N 1 0 349.431 2.798 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096208986 473345715 /nfs/dbraw/zinc/34/57/15/473345715.db2.gz BZLDQHQWNPSQBO-AEFFLSMTSA-N 1 0 345.468 2.797 40 0 EFABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000096216464 473347267 /nfs/dbraw/zinc/34/72/67/473347267.db2.gz URAHVALKTLKGFF-DNVCBOLYSA-N 1 0 334.435 2.565 40 0 EFABRO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4nccn4C)C3)C2)n1 ZINC000096216118 473348138 /nfs/dbraw/zinc/34/81/38/473348138.db2.gz FYZAWXOLIJJBER-FQEVSTJZSA-N 1 0 339.487 2.612 40 0 EFABRO O=C(N[C@H]1COCCC12CC[NH+](Cc1ccsc1)CC2)C1CC1 ZINC000096216949 473349579 /nfs/dbraw/zinc/34/95/79/473349579.db2.gz XPYBHFNEIYOMDJ-INIZCTEOSA-N 1 0 334.485 2.645 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)N4CCCC4)O[C@@H]3C2)s1 ZINC000096217615 473349848 /nfs/dbraw/zinc/34/98/48/473349848.db2.gz XAOUHCKTJDFTAA-ZMSDIMECSA-N 1 0 334.485 2.658 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)o1 ZINC000096218411 473352621 /nfs/dbraw/zinc/35/26/21/473352621.db2.gz UMZSEYLAVKGXKF-BHIYHBOVSA-N 1 0 346.471 2.828 40 0 EFABRO CN(Cc1ccccn1)[C@@H]1CO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096219880 473353125 /nfs/dbraw/zinc/35/31/25/473353125.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 1 0 327.428 2.540 40 0 EFABRO O=C(c1ccccc1F)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096220773 473353801 /nfs/dbraw/zinc/35/38/01/473353801.db2.gz FXZFFOFKAUCCCL-HNNXBMFYSA-N 1 0 332.419 2.685 40 0 EFABRO O=C(N[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2)c1cccs1 ZINC000096221221 473353933 /nfs/dbraw/zinc/35/39/33/473353933.db2.gz CBLFOYXZBJTPRU-OAHLLOKOSA-N 1 0 346.452 2.895 40 0 EFABRO C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096220239 473353979 /nfs/dbraw/zinc/35/39/79/473353979.db2.gz QNISCQVOBQJBPT-AZUAARDMSA-N 1 0 341.455 2.645 40 0 EFABRO Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222723 473354968 /nfs/dbraw/zinc/35/49/68/473354968.db2.gz ONWHCLWEPSRFDZ-VQTJNVASSA-N 1 0 340.471 2.964 40 0 EFABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccc(F)cc4)C3)C2=O)cn1 ZINC000096224657 473355109 /nfs/dbraw/zinc/35/51/09/473355109.db2.gz WBLNBUBCYPNKBT-LJQANCHMSA-N 1 0 342.418 2.578 40 0 EFABRO Fc1cccnc1N[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096222986 473355441 /nfs/dbraw/zinc/35/54/41/473355441.db2.gz GSSPPWWXHLZPLB-QFBILLFUSA-N 1 0 342.418 2.851 40 0 EFABRO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000096223258 473355931 /nfs/dbraw/zinc/35/59/31/473355931.db2.gz XJWCKTVSHCYCHU-PKOBYXMFSA-N 1 0 342.418 2.851 40 0 EFABRO Cc1cccc(CN2CC[C@]3(CCC[N@H+](Cc4ccoc4)C3)C2=O)n1 ZINC000096224710 473356054 /nfs/dbraw/zinc/35/60/54/473356054.db2.gz ZRTJYJBEGGWYJS-FQEVSTJZSA-N 1 0 339.439 2.998 40 0 EFABRO CC(C)NC(=O)[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000096224915 473356091 /nfs/dbraw/zinc/35/60/91/473356091.db2.gz WGONYGHYCCRVAN-GOSISDBHSA-N 1 0 330.472 2.972 40 0 EFABRO Cc1cccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccoc4)C3)C2=O)n1 ZINC000096224711 473356286 /nfs/dbraw/zinc/35/62/86/473356286.db2.gz ZRTJYJBEGGWYJS-HXUWFJFHSA-N 1 0 339.439 2.998 40 0 EFABRO O=C(NCc1ccco1)C1=NO[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC000096225881 473356805 /nfs/dbraw/zinc/35/68/05/473356805.db2.gz YYEMJPZYRCQFFJ-IBGZPJMESA-N 1 0 345.443 2.697 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)cc1 ZINC000096225551 473358113 /nfs/dbraw/zinc/35/81/13/473358113.db2.gz CJXSGCBCYFGHSZ-HXUWFJFHSA-N 1 0 343.471 2.837 40 0 EFABRO Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@H+](Cc2ccccc2)C1 ZINC000096244395 473362887 /nfs/dbraw/zinc/36/28/87/473362887.db2.gz UVVWBBUNEFBCRW-FQEVSTJZSA-N 1 0 338.455 2.525 40 0 EFABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](C[C@@H]2CCOC2)CC3)c1 ZINC000096228252 473359163 /nfs/dbraw/zinc/35/91/63/473359163.db2.gz BGSMHJXDRHHIAK-IBGZPJMESA-N 1 0 342.483 2.989 40 0 EFABRO Cn1cccc1C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228209 473359240 /nfs/dbraw/zinc/35/92/40/473359240.db2.gz WEBXVJZPLAFWDH-UHFFFAOYSA-N 1 0 338.455 2.577 40 0 EFABRO COCCC[N@@H+]1CCCC12CCN(C(=O)c1ccccc1F)CC2 ZINC000096227931 473359261 /nfs/dbraw/zinc/35/92/61/473359261.db2.gz CNWGBBDXBXODOA-UHFFFAOYSA-N 1 0 334.435 2.933 40 0 EFABRO O=C1NCCN(Cc2ccccc2)C12CC[NH+](Cc1ccccc1)CC2 ZINC000096230218 473359592 /nfs/dbraw/zinc/35/95/92/473359592.db2.gz IKRUHVBFLQIFKL-UHFFFAOYSA-N 1 0 349.478 2.653 40 0 EFABRO c1cncc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)c1 ZINC000096229023 473359901 /nfs/dbraw/zinc/35/99/01/473359901.db2.gz HZZUWOUHZWEJTO-HXUWFJFHSA-N 1 0 338.455 2.596 40 0 EFABRO Cc1cnc(N2CCC3(C[C@H]3C[N@@H+](C)Cc3cccnc3)CC2)nc1 ZINC000096238323 473360763 /nfs/dbraw/zinc/36/07/63/473360763.db2.gz VHMYXSDQSHHQEU-SFHVURJKSA-N 1 0 337.471 2.919 40 0 EFABRO Cc1cnc(N2CCC3(C[C@@H]3C[N@@H+](C)Cc3cccnc3)CC2)nc1 ZINC000096238322 473360792 /nfs/dbraw/zinc/36/07/92/473360792.db2.gz VHMYXSDQSHHQEU-GOSISDBHSA-N 1 0 337.471 2.919 40 0 EFABRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cn1 ZINC000096239569 473361811 /nfs/dbraw/zinc/36/18/11/473361811.db2.gz GSPNADKSXGLTNI-KRWDZBQOSA-N 1 0 347.413 2.553 40 0 EFABRO FC1(F)CC[N@H+](Cc2cccnc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239718 473362571 /nfs/dbraw/zinc/36/25/71/473362571.db2.gz ZMDRTXUDNGAPPH-QGZVFWFLSA-N 1 0 345.397 2.609 40 0 EFABRO CC[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 ZINC000096260478 473367530 /nfs/dbraw/zinc/36/75/30/473367530.db2.gz LWWZRYXALPVTBF-UHFFFAOYSA-N 1 0 330.476 2.558 40 0 EFABRO O=C(c1ccco1)N1CCO[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]2C1 ZINC000096249873 473363856 /nfs/dbraw/zinc/36/38/56/473363856.db2.gz KBGVTTFKLDOBHK-RHSMWYFYSA-N 1 0 346.452 2.704 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccncc4)C(=O)[C@H]3C2)s1 ZINC000096249095 473364257 /nfs/dbraw/zinc/36/42/57/473364257.db2.gz XAAVZVYYQOAGII-WMZOPIPTSA-N 1 0 341.480 2.932 40 0 EFABRO Cc1nc(CN2CCO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000096248767 473364794 /nfs/dbraw/zinc/36/47/94/473364794.db2.gz LMHLSBSHPXQMNL-MSOLQXFVSA-N 1 0 329.469 2.537 40 0 EFABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(C)c4)C[C@@H]32)C1=O ZINC000096261437 473369142 /nfs/dbraw/zinc/36/91/42/473369142.db2.gz RNBCSWZDKXFBDN-WSTZPKSXSA-N 1 0 325.456 2.856 40 0 EFABRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]32)C1=O ZINC000096261428 473369945 /nfs/dbraw/zinc/36/99/45/473369945.db2.gz HEYMUABOYOYSJG-WSTZPKSXSA-N 1 0 325.456 2.856 40 0 EFABRO COc1ccc(C[N@@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC000096296468 473372895 /nfs/dbraw/zinc/37/28/95/473372895.db2.gz ZWDTYYYPZXRMNL-GOSISDBHSA-N 1 0 328.412 2.678 40 0 biogenic,in-vitro EFABRO COC1=C[C@]2(C)Oc3c4c(ccc3OC)C[C@@H]3C(=C1)[C@@]42CC[N@@H+]3C ZINC000096316410 473375329 /nfs/dbraw/zinc/37/53/29/473375329.db2.gz OCGWLMGQNPQBHG-XPGWFJOJSA-N 1 0 325.408 2.815 40 0 biogenic,in-vitro EFABRO CCc1ncc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)s1 ZINC000084018596 473382867 /nfs/dbraw/zinc/38/28/67/473382867.db2.gz WUZVOLCBNJXKIZ-LLVKDONJSA-N 1 0 339.486 2.928 40 0 EFABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000096405500 473383000 /nfs/dbraw/zinc/38/30/00/473383000.db2.gz ZXAUDALVQBWXRU-OALUTQOASA-N 1 0 342.483 2.941 40 0 EFABRO O=C(NC1CC[NH+](CCSc2ccccc2)CC1)C1CCOCC1 ZINC000096410328 473389106 /nfs/dbraw/zinc/38/91/06/473389106.db2.gz IUFJPBDUIQBJLC-UHFFFAOYSA-N 1 0 348.512 2.786 40 0 EFABRO O=C(Nc1ncccn1)C1CC[NH+](CCSc2ccccc2)CC1 ZINC000096410313 473389362 /nfs/dbraw/zinc/38/93/62/473389362.db2.gz YOGSRSOCKYAPHF-UHFFFAOYSA-N 1 0 342.468 2.919 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1 ZINC000096410673 473389535 /nfs/dbraw/zinc/38/95/35/473389535.db2.gz SMUCUZKUIUPFLO-OSPHWJPCSA-N 1 0 345.468 2.848 40 0 EFABRO COc1ccccc1OC[C@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000000110114 471323906 /nfs/dbraw/zinc/32/39/06/471323906.db2.gz POGJJKYWTMMHKO-MRXNPFEDSA-N 1 0 341.431 2.531 40 0 EFABRO Cc1cc2nc(SCC(=O)NCC[NH+]3CCCCC3)[nH]c2cc1C ZINC000000203537 471334628 /nfs/dbraw/zinc/33/46/28/471334628.db2.gz BYCOBTQHPZXSSP-UHFFFAOYSA-N 1 0 346.500 2.874 40 0 EFABRO Cc1c(C(=O)NCC[NH+](C)C)sc2nc(-c3ccccc3)cn12 ZINC000000251335 471340361 /nfs/dbraw/zinc/34/03/61/471340361.db2.gz VYRFPEBSKWVHLH-UHFFFAOYSA-N 1 0 328.441 2.663 40 0 EFABRO CCn1c[n+](C[C@H](O)COc2ccc(C(C)=O)cc2)c2ccccc21 ZINC000000316267 471347369 /nfs/dbraw/zinc/34/73/69/471347369.db2.gz CRTQKLAPPQPGGO-KRWDZBQOSA-N 1 0 339.415 2.591 40 0 EFABRO COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@H+]2C)cc1O ZINC000000895630 471377931 /nfs/dbraw/zinc/37/79/31/471377931.db2.gz BHLYRWXGMIUIHG-HNNXBMFYSA-N 1 0 329.396 2.887 40 0 endogenous,in-man EFABRO CC(=O)Nc1cccc(OCCCOc2cccc(C(N)=[NH2+])c2)c1 ZINC000001583115 471393878 /nfs/dbraw/zinc/39/38/78/471393878.db2.gz GQCVUQUZHXFSAZ-UHFFFAOYSA-N 1 0 327.384 2.777 40 0 EFABRO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004873270 471478343 /nfs/dbraw/zinc/47/83/43/471478343.db2.gz WWHFQRGCCRXFNB-FHLIZLRMSA-N 1 0 342.439 2.982 40 0 EFABRO O[C@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCCC1 ZINC000005165715 471489167 /nfs/dbraw/zinc/48/91/67/471489167.db2.gz RXJUEEPERKGZLZ-JTQLQIEISA-N 1 0 336.176 2.563 40 0 EFABRO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1NC(=O)c1ccco1 ZINC000005353020 471501162 /nfs/dbraw/zinc/50/11/62/471501162.db2.gz XBRNQRFNEAHCPR-ZDUSSCGKSA-N 1 0 332.400 2.660 40 0 in-man EFABRO CC[N@@H+]1CC[C@](O)(c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)C1 ZINC000005807728 471521433 /nfs/dbraw/zinc/52/14/33/471521433.db2.gz MCZXWOOFKFFDNJ-ICSRJNTNSA-N 1 0 341.407 2.510 40 0 EFABRO COc1ccc(COC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1OC ZINC000006001463 471529820 /nfs/dbraw/zinc/52/98/20/471529820.db2.gz POELIHGDXVFHHB-KRWDZBQOSA-N 1 0 337.460 2.846 40 0 EFABRO Cc1ccc(NC(=O)C[NH2+]CCCN2CCCCCC2=O)cc1C ZINC000006541909 471549865 /nfs/dbraw/zinc/54/98/65/471549865.db2.gz KYZYFZGAKNHWKW-UHFFFAOYSA-N 1 0 331.460 2.624 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000006953189 471580632 /nfs/dbraw/zinc/58/06/32/471580632.db2.gz GTGLRJXSTVNYAM-JTQLQIEISA-N 1 0 344.242 2.532 40 0 EFABRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCCCCC1 ZINC000007222098 471599269 /nfs/dbraw/zinc/59/92/69/471599269.db2.gz NKOYSXFXXHQOBQ-MRXNPFEDSA-N 1 0 331.460 2.726 40 0 EFABRO CCCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC000007261237 471600902 /nfs/dbraw/zinc/60/09/02/471600902.db2.gz OKFYWSKODIBUSN-UHFFFAOYSA-N 1 0 328.840 2.883 40 0 EFABRO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]Cc1nnc2ccccn21 ZINC000007985285 471653350 /nfs/dbraw/zinc/65/33/50/471653350.db2.gz RTWKLXXSJBZZNH-GFCCVEGCSA-N 1 0 343.818 2.890 40 0 EFABRO CCOc1c(Br)cc(C[NH2+][C@H](CC)CO)cc1OC ZINC000008327007 471681612 /nfs/dbraw/zinc/68/16/12/471681612.db2.gz YWUIEYOVCLUJPV-LLVKDONJSA-N 1 0 332.238 2.717 40 0 EFABRO O=C(NCc1ccncc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063581 471709664 /nfs/dbraw/zinc/70/96/64/471709664.db2.gz VMXMMNCOFJJFMO-UHFFFAOYSA-N 1 0 327.403 2.749 40 0 EFABRO Cc1ccccc1CS(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000010544102 471738189 /nfs/dbraw/zinc/73/81/89/471738189.db2.gz DBYGZYSSUAEMKE-HZPDHXFCSA-N 1 0 338.517 2.782 40 0 EFABRO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)cc1OC ZINC000013128343 471818273 /nfs/dbraw/zinc/81/82/73/471818273.db2.gz SEXDERKZDARHHJ-AWEZNQCLSA-N 1 0 328.412 2.845 40 0 EFABRO C[NH+]1CCC(OC(=O)c2ccc(I)cc2)CC1 ZINC000013606129 471834702 /nfs/dbraw/zinc/83/47/02/471834702.db2.gz KRVXRNGJVZIXHS-UHFFFAOYSA-N 1 0 345.180 2.542 40 0 EFABRO COc1ccc(/C=C/C(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000013613056 471834968 /nfs/dbraw/zinc/83/49/68/471834968.db2.gz NYWFJPLCNBDZLI-CSKARUKUSA-N 1 0 332.444 2.709 40 0 EFABRO COc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013668353 471837167 /nfs/dbraw/zinc/83/71/67/471837167.db2.gz ROQDLMQEDBQJBM-MRXNPFEDSA-N 1 0 334.460 2.845 40 0 EFABRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)c1ccccc1 ZINC000016425296 471936622 /nfs/dbraw/zinc/93/66/22/471936622.db2.gz LWHZDYUDTGXGAV-FQEVSTJZSA-N 1 0 326.440 2.689 40 0 EFABRO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000017072256 471956599 /nfs/dbraw/zinc/95/65/99/471956599.db2.gz GNVDQIRPMRGVLH-LJQANCHMSA-N 1 0 347.418 2.941 40 0 EFABRO Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000019132440 471977346 /nfs/dbraw/zinc/97/73/46/471977346.db2.gz TUGMPZYHTMSJDK-IBGZPJMESA-N 1 0 325.456 2.944 40 0 EFABRO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000019456968 471979979 /nfs/dbraw/zinc/97/99/79/471979979.db2.gz JSTJPAHZTPPKFI-MRXNPFEDSA-N 1 0 325.460 2.925 40 0 EFABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019348765 471980498 /nfs/dbraw/zinc/98/04/98/471980498.db2.gz FIISTPAFAQXASX-GJZGRUSLSA-N 1 0 328.378 2.736 40 0 EFABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCOCC2)nc2c1CCCN2C ZINC000019706226 471982532 /nfs/dbraw/zinc/98/25/32/471982532.db2.gz CLNSAMPCMANAGO-KRWDZBQOSA-N 1 0 330.476 2.873 40 0 EFABRO CC1=C(CC[N@H+]2Cc3cn(C)nc3[C@H](C(N)=O)C2)C(C)(C)CCC1 ZINC000019701181 471983658 /nfs/dbraw/zinc/98/36/58/471983658.db2.gz DSDAZHOSYJAIGQ-OAHLLOKOSA-N 1 0 330.476 2.721 40 0 EFABRO CNc1cc(CN(C)Cc2ccc(F)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759810 471984406 /nfs/dbraw/zinc/98/44/06/471984406.db2.gz DHYOPPITHNRYFZ-MRXNPFEDSA-N 1 0 329.423 2.714 40 0 EFABRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](C(=O)NC4CCCC4)C3)ccc21 ZINC000019747832 471984483 /nfs/dbraw/zinc/98/44/83/471984483.db2.gz DLIMPZBYUUAHLE-GOSISDBHSA-N 1 0 341.499 2.950 40 0 EFABRO C/C=C1\C[N@H+]2CC[C@]34c5cc(O)ccc5NC3=C(C(=O)OC)[C@H]1C[C@H]24 ZINC000033953238 471987463 /nfs/dbraw/zinc/98/74/63/471987463.db2.gz BVYFBTHLXBZJTR-DQRCLVLDSA-N 1 0 338.407 2.537 40 0 EFABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025343 471997981 /nfs/dbraw/zinc/99/79/81/471997981.db2.gz VECLMGKGWXLRCE-GRUVHVDGSA-N 1 0 327.509 2.934 40 0 EFABRO COc1ccc(C[C@@H]2[NH2+]CCc3cc4c(cc32)OCO4)cc1OC ZINC000039343186 472023221 /nfs/dbraw/zinc/02/32/21/472023221.db2.gz RFTWLSNMTPPRII-HNNXBMFYSA-N 1 0 327.380 2.862 40 0 EFABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000025368670 472093181 /nfs/dbraw/zinc/09/31/81/472093181.db2.gz SGSAEOMMBTURCY-INIZCTEOSA-N 1 0 329.396 2.595 40 0 EFABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C2CC2)on1 ZINC000025527788 472100796 /nfs/dbraw/zinc/10/07/96/472100796.db2.gz MUDAEPOBGDXNPN-UHFFFAOYSA-N 1 0 325.412 2.946 40 0 EFABRO c1ccc(C[NH+]2CCN(CCNc3cnc4ccccc4n3)CC2)cc1 ZINC000026135931 472124500 /nfs/dbraw/zinc/12/45/00/472124500.db2.gz ACZXJCMJSUYBHG-UHFFFAOYSA-N 1 0 347.466 2.860 40 0 EFABRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCNC(=O)C(C)C ZINC000026309519 472131297 /nfs/dbraw/zinc/13/12/97/472131297.db2.gz AWIILEQEMBZDSO-UHFFFAOYSA-N 1 0 342.487 2.718 40 0 EFABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N1CCCc2ccccc21 ZINC000026439270 472135920 /nfs/dbraw/zinc/13/59/20/472135920.db2.gz FYWUURMYXZDMGB-UHFFFAOYSA-N 1 0 341.499 2.916 40 0 EFABRO COc1ccc(/C=C/c2cc[n+](C)cc2)cc1CN1CCOCC1 ZINC000026441351 472136081 /nfs/dbraw/zinc/13/60/81/472136081.db2.gz FHDVEJDIIMSTIP-ONEGZZNKSA-N 1 0 325.432 2.522 40 0 EFABRO CC(=O)N1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075587343 472162641 /nfs/dbraw/zinc/16/26/41/472162641.db2.gz CZOYFADWDYMYLG-UHFFFAOYSA-N 1 0 330.350 2.682 40 0 EFABRO C[NH+](C)C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000027150677 472165090 /nfs/dbraw/zinc/16/50/90/472165090.db2.gz JDVPRRHKCAZINZ-KRWDZBQOSA-N 1 0 340.423 2.767 40 0 EFABRO COc1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000028066773 472212540 /nfs/dbraw/zinc/21/25/40/472212540.db2.gz PADAXCPQGPBPPF-UHFFFAOYSA-N 1 0 348.487 2.875 40 0 EFABRO O=C(C[NH+]1CCC(CO)CC1)N(Cc1cccc(Cl)c1)C1CC1 ZINC000085332598 472237798 /nfs/dbraw/zinc/23/77/98/472237798.db2.gz DZKPZTBXEUPGPT-UHFFFAOYSA-N 1 0 336.863 2.535 40 0 EFABRO O=C(Cc1ccc(F)cc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473170 472253279 /nfs/dbraw/zinc/25/32/79/472253279.db2.gz YMVYKWKGBIFIHU-KRWDZBQOSA-N 1 0 336.476 2.798 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)cc1 ZINC000087052221 472301128 /nfs/dbraw/zinc/30/11/28/472301128.db2.gz HMUVZGNUPUSNNX-IBGZPJMESA-N 1 0 346.471 2.689 40 0 EFABRO C[NH+](C)CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030871946 472351728 /nfs/dbraw/zinc/35/17/28/472351728.db2.gz HFUWPTBPPLFCHF-UHFFFAOYSA-N 1 0 337.467 2.931 40 0 EFABRO O=C(c1ccccc1OC(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030881538 472352656 /nfs/dbraw/zinc/35/26/56/472352656.db2.gz AIMJYKVDKQRAHF-UHFFFAOYSA-N 1 0 333.338 2.645 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1cccnc1 ZINC000076480430 472353217 /nfs/dbraw/zinc/35/32/17/472353217.db2.gz GNLSMPCFSDFWLS-XLIONFOSSA-N 1 0 337.467 2.993 40 0 EFABRO CC[NH+](CC)[C@@H](CNC(=O)c1nc(SC)ncc1Cl)C(C)C ZINC000031383948 472375662 /nfs/dbraw/zinc/37/56/62/472375662.db2.gz QIPQMAGPENNUGG-LBPRGKRZSA-N 1 0 344.912 2.948 40 0 EFABRO COc1cc(C[C@H]2[NH2+]CCc3cc(O)ccc32)cc(OC)c1OC ZINC000031598052 472385241 /nfs/dbraw/zinc/38/52/41/472385241.db2.gz BTVXBTHFCHQBCB-MRXNPFEDSA-N 1 0 329.396 2.848 40 0 EFABRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)c1 ZINC000031666933 472387181 /nfs/dbraw/zinc/38/71/81/472387181.db2.gz NVGPLPBRBMMJNX-HXUWFJFHSA-N 1 0 340.467 2.865 40 0 EFABRO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000031666943 472387996 /nfs/dbraw/zinc/38/79/96/472387996.db2.gz YRDDSADFFNSAGG-HXUWFJFHSA-N 1 0 340.467 2.865 40 0 EFABRO CCOC(=O)N1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000089156805 472391293 /nfs/dbraw/zinc/39/12/93/472391293.db2.gz XSTOBBXPFLDMAP-UHFFFAOYSA-N 1 0 337.367 2.872 40 0 EFABRO Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000076981451 472437636 /nfs/dbraw/zinc/43/76/36/472437636.db2.gz OEZHILIETPXKMN-DOMZBBRYSA-N 1 0 336.505 2.947 40 0 EFABRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Cl)cc1 ZINC000057456589 472440227 /nfs/dbraw/zinc/44/02/27/472440227.db2.gz XPNFGJRZGALIAO-NSHDSACASA-N 1 0 335.791 2.610 40 0 EFABRO Cc1ccc(C(=O)N2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000097103365 472447783 /nfs/dbraw/zinc/44/77/83/472447783.db2.gz VMEYKLJHJMYMIX-UHFFFAOYSA-N 1 0 329.488 2.629 40 0 EFABRO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(F)c1 ZINC000032729480 472459857 /nfs/dbraw/zinc/45/98/57/472459857.db2.gz KETHDPXFSGAIKF-AEFFLSMTSA-N 1 0 328.387 2.548 40 0 EFABRO C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1cnccn1 ZINC000089639612 472475122 /nfs/dbraw/zinc/47/51/22/472475122.db2.gz OVQPDIHAEGIWCW-AWEZNQCLSA-N 1 0 331.464 2.634 40 0 EFABRO Cn1cc(-c2cccc(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)c2)cn1 ZINC000097230772 472483478 /nfs/dbraw/zinc/48/34/78/472483478.db2.gz QJTVFGUZJBRFLR-ZWKOTPCHSA-N 1 0 347.484 2.533 40 0 EFABRO Cn1cc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cn1 ZINC000097229527 472484073 /nfs/dbraw/zinc/48/40/73/472484073.db2.gz IPATYZVRYWRMDX-SJPCQFCGSA-N 1 0 348.491 2.825 40 0 EFABRO Cn1cc(-c2cccc(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)c2)cn1 ZINC000097230769 472484357 /nfs/dbraw/zinc/48/43/57/472484357.db2.gz QJTVFGUZJBRFLR-ROUUACIJSA-N 1 0 347.484 2.533 40 0 EFABRO CCc1ccc([C@@H](CNC(=O)N2CCC(C)(CO)CC2)[NH+](C)C)cc1 ZINC000097377569 472494414 /nfs/dbraw/zinc/49/44/14/472494414.db2.gz ANPUDCVECKKSOK-GOSISDBHSA-N 1 0 347.503 2.656 40 0 EFABRO Cn1cc(-c2cccc(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)c2)cn1 ZINC000097376508 472494645 /nfs/dbraw/zinc/49/46/45/472494645.db2.gz RFEOZXKLZLSJEH-IBGZPJMESA-N 1 0 338.455 2.578 40 0 EFABRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000058156282 472509020 /nfs/dbraw/zinc/50/90/20/472509020.db2.gz GAWZGWOXTCQEEL-KSSFIOAISA-N 1 0 349.450 2.945 40 0 EFABRO CSC1(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CCOCC1 ZINC000090112110 472597812 /nfs/dbraw/zinc/59/78/12/472597812.db2.gz KLLMZCASCILWMS-HNNXBMFYSA-N 1 0 328.522 2.669 40 0 EFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000046960532 472632745 /nfs/dbraw/zinc/63/27/45/472632745.db2.gz PGHBYXHEWJIUMG-MRXNPFEDSA-N 1 0 343.471 2.665 40 0 EFABRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216388 472634382 /nfs/dbraw/zinc/63/43/82/472634382.db2.gz IJRFQNKSNXWOPR-MRXNPFEDSA-N 1 0 346.475 2.905 40 0 EFABRO CC[NH+]1CCN(c2ncc(CNC(=O)OC(C)(C)C)cc2C)CC1 ZINC000072222582 472634592 /nfs/dbraw/zinc/63/45/92/472634592.db2.gz HPAIOJPWJOAPMB-UHFFFAOYSA-N 1 0 334.464 2.557 40 0 EFABRO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216280 472635059 /nfs/dbraw/zinc/63/50/59/472635059.db2.gz NOBPQGFSWSQQOA-HNNXBMFYSA-N 1 0 332.448 2.563 40 0 EFABRO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216311 472635161 /nfs/dbraw/zinc/63/51/61/472635161.db2.gz XNGGSATWZRAWNC-INIZCTEOSA-N 1 0 346.475 2.953 40 0 EFABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(Br)o1 ZINC000090608906 472642107 /nfs/dbraw/zinc/64/21/07/472642107.db2.gz ZWAFRWYGELTSPG-JTQLQIEISA-N 1 0 347.278 2.551 40 0 EFABRO CC[C@@H](CSc1ccccc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000090778452 472656248 /nfs/dbraw/zinc/65/62/48/472656248.db2.gz VRXIHZGJEWDMNL-AWEZNQCLSA-N 1 0 342.530 2.571 40 0 EFABRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(OC(F)F)c1 ZINC000090882653 472663491 /nfs/dbraw/zinc/66/34/91/472663491.db2.gz RENWPOWJNKSIHY-NSHDSACASA-N 1 0 333.400 2.763 40 0 EFABRO c1cn(CCc2ccccc2)c(C[NH2+]C2CCC3(CC2)OCCO3)n1 ZINC000156273191 472686624 /nfs/dbraw/zinc/68/66/24/472686624.db2.gz XLOAANXHIVKSHU-UHFFFAOYSA-N 1 0 341.455 2.901 40 0 EFABRO CCc1c(Cl)nc(C)nc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000078294904 472689188 /nfs/dbraw/zinc/68/91/88/472689188.db2.gz PMHKJMKHEJKEPD-UHFFFAOYSA-N 1 0 338.883 2.692 40 0 EFABRO Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156312293 472691740 /nfs/dbraw/zinc/69/17/40/472691740.db2.gz VIMVKIUJCMOEST-AWEZNQCLSA-N 1 0 338.398 2.819 40 0 EFABRO COc1cccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000047416499 472707058 /nfs/dbraw/zinc/70/70/58/472707058.db2.gz BNUSGXNMKDGQQP-GASCZTMLSA-N 1 0 334.460 2.802 40 0 EFABRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2cccs2)CC1 ZINC000078394292 472710132 /nfs/dbraw/zinc/71/01/32/472710132.db2.gz WIPFTQIPFPAPFC-UHFFFAOYSA-N 1 0 329.469 2.706 40 0 EFABRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000078572307 472735193 /nfs/dbraw/zinc/73/51/93/472735193.db2.gz PQAGBGPINKEMKJ-MRXNPFEDSA-N 1 0 344.480 2.974 40 0 EFABRO C[C@H](CNC(=O)N[C@@H](C)c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000048069262 472809835 /nfs/dbraw/zinc/80/98/35/472809835.db2.gz KEGBZQNPBPUPRN-CVEARBPZSA-N 1 0 338.455 2.889 40 0 EFABRO C[C@H]1CCCC[C@@H]1OCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000079043859 472809900 /nfs/dbraw/zinc/80/99/00/472809900.db2.gz GKVDJWATDHKXJA-LPHOPBHVSA-N 1 0 345.487 2.758 40 0 EFABRO C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000079043850 472809980 /nfs/dbraw/zinc/80/99/80/472809980.db2.gz GKVDJWATDHKXJA-APWZRJJASA-N 1 0 345.487 2.758 40 0 EFABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(NC=O)cc2)CC1 ZINC000073638459 472844685 /nfs/dbraw/zinc/84/46/85/472844685.db2.gz CMVTUOXDYBBQEO-UHFFFAOYSA-N 1 0 341.411 2.585 40 0 EFABRO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)[NH+]1CCCCC1 ZINC000048301469 472853038 /nfs/dbraw/zinc/85/30/38/472853038.db2.gz GAQJNQLSONIPGZ-GUYCJALGSA-N 1 0 345.443 2.855 40 0 EFABRO Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(O)cc(O)c3)CC2)c1 ZINC000133924956 472855103 /nfs/dbraw/zinc/85/51/03/472855103.db2.gz INPJBLPDCGSXHR-UHFFFAOYSA-N 1 0 340.423 2.801 40 0 EFABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCO2)C1 ZINC000048884549 472917433 /nfs/dbraw/zinc/91/74/33/472917433.db2.gz AYKMYCWTZDMWQL-BXWFABGCSA-N 1 0 330.472 2.960 40 0 EFABRO NC(=O)c1cccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4F)C3)nc21 ZINC000049171121 472934090 /nfs/dbraw/zinc/93/40/90/472934090.db2.gz HQMGTXCMTIYUBN-ZDUSSCGKSA-N 1 0 338.386 2.790 40 0 biogenic,in-vitro EFABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCN(C)CC4)C3)o2)cc1 ZINC000049169934 472934148 /nfs/dbraw/zinc/93/41/48/472934148.db2.gz FSIMBEFXAUQITP-INIZCTEOSA-N 1 0 326.444 2.929 40 0 biogenic,in-vitro EFABRO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107226748 472934874 /nfs/dbraw/zinc/93/48/74/472934874.db2.gz WDNLJTAXRWXEAW-CRAIPNDOSA-N 1 0 344.484 2.716 40 0 EFABRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000074160594 472952102 /nfs/dbraw/zinc/95/21/02/472952102.db2.gz JLPJSNZCSGRQRN-OALUTQOASA-N 1 0 345.487 2.577 40 0 EFABRO c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)nc1 ZINC000107712625 472977343 /nfs/dbraw/zinc/97/73/43/472977343.db2.gz PSWGALZZAPIARI-ICSRJNTNSA-N 1 0 339.439 2.927 40 0 EFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)s1 ZINC000107738957 472979517 /nfs/dbraw/zinc/97/95/17/472979517.db2.gz CWWDOTJNCULINI-FUHWJXTLSA-N 1 0 347.484 2.561 40 0 EFABRO COCCNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108528744 473035273 /nfs/dbraw/zinc/03/52/73/473035273.db2.gz HCMCOVBFOGMSKY-QFBILLFUSA-N 1 0 334.435 2.581 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2)N1CC(F)(F)C1 ZINC000108529791 473036052 /nfs/dbraw/zinc/03/60/52/473036052.db2.gz KPEKXFLAKMCUPB-NVXWUHKLSA-N 1 0 335.398 2.551 40 0 EFABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000108529783 473036212 /nfs/dbraw/zinc/03/62/12/473036212.db2.gz MFUPHFMPOXFAMN-SJLPKXTDSA-N 1 0 349.425 2.988 40 0 EFABRO Cc1ccccc1O[C@H](C)CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000075307297 473163668 /nfs/dbraw/zinc/16/36/68/473163668.db2.gz AHVPPEBNBUOZBB-MRXNPFEDSA-N 1 0 333.476 2.746 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1cccnc1 ZINC000110597941 473164818 /nfs/dbraw/zinc/16/48/18/473164818.db2.gz QHPXNKXRGHIMAE-BOYOMHKPSA-N 1 0 336.439 2.517 40 0 EFABRO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110686295 473170730 /nfs/dbraw/zinc/17/07/30/473170730.db2.gz RDSUPURHQBAGSY-ULFGMLNVSA-N 1 0 327.403 2.863 40 0 EFABRO FC(F)Oc1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000094162451 473183233 /nfs/dbraw/zinc/18/32/33/473183233.db2.gz MYFXKQOZUXBNEK-LBPRGKRZSA-N 1 0 327.375 2.596 40 0 EFABRO C[C@H]1C[C@@H](NCc2nnc3ccccn32)C[N@H+](Cc2ccccc2)C1 ZINC000136893057 473183427 /nfs/dbraw/zinc/18/34/27/473183427.db2.gz AEEXITJTXLTQPL-FUHWJXTLSA-N 1 0 335.455 2.730 40 0 EFABRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000136909146 473185088 /nfs/dbraw/zinc/18/50/88/473185088.db2.gz KZKDJFFFLUEKPQ-HNAYVOBHSA-N 1 0 339.439 2.894 40 0 EFABRO CCOCCC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413977 473393356 /nfs/dbraw/zinc/39/33/56/473393356.db2.gz SJPUZARIRKJJOF-UHFFFAOYSA-N 1 0 333.476 2.830 40 0 EFABRO O=C(N1CCC[N@@H+](C2CCOCC2)CC1)C1(c2ccccc2)CCC1 ZINC000096414578 473393850 /nfs/dbraw/zinc/39/38/50/473393850.db2.gz AUTLOPKAMQYCCI-UHFFFAOYSA-N 1 0 342.483 2.822 40 0 EFABRO COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414887 473394026 /nfs/dbraw/zinc/39/40/26/473394026.db2.gz GBWPDXUUCNYZKI-WBVHZDCISA-N 1 0 339.439 2.584 40 0 EFABRO COc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000096414892 473394724 /nfs/dbraw/zinc/39/47/24/473394724.db2.gz HZCOUIMAMBKLQS-LRDDRELGSA-N 1 0 342.443 2.852 40 0 EFABRO Cc1cc(NC(=O)[C@@H]2CCCO2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190795341 473395156 /nfs/dbraw/zinc/39/51/56/473395156.db2.gz DQKAHXKZNJWZSF-SFHVURJKSA-N 1 0 331.460 2.643 40 0 EFABRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000096418701 473397932 /nfs/dbraw/zinc/39/79/32/473397932.db2.gz XPIOZIGQBVOOHE-CQSZACIVSA-N 1 0 338.883 2.653 40 0 EFABRO C[NH+](C)Cc1cc(CNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000096421581 473400346 /nfs/dbraw/zinc/40/03/46/473400346.db2.gz MJDNARJFRRAVJM-PVAVHDDUSA-N 1 0 349.450 2.500 40 0 EFABRO COc1cccc(CCCN2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000096424482 473402818 /nfs/dbraw/zinc/40/28/18/473402818.db2.gz ICYGCEYEAJFCJK-UHFFFAOYSA-N 1 0 332.488 2.815 40 0 EFABRO CCONC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000163034570 473408538 /nfs/dbraw/zinc/40/85/38/473408538.db2.gz PUURAIHRGOTJNH-UHFFFAOYSA-N 1 0 325.840 2.803 40 0 EFABRO O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096431852 473410859 /nfs/dbraw/zinc/41/08/59/473410859.db2.gz RJXAZHQCEUGRAT-MRXNPFEDSA-N 1 0 346.475 2.650 40 0 EFABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccnc1 ZINC000096431361 473410943 /nfs/dbraw/zinc/41/09/43/473410943.db2.gz GHIYPBFOLJSSIW-LJQANCHMSA-N 1 0 338.455 2.745 40 0 EFABRO C[C@H]1CCN(C(=O)CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000096433127 473411799 /nfs/dbraw/zinc/41/17/99/473411799.db2.gz RNBTYKOFADXXDY-KRWDZBQOSA-N 1 0 330.472 2.926 40 0 EFABRO Cc1cccnc1[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000096435351 473415246 /nfs/dbraw/zinc/41/52/46/473415246.db2.gz BEOZFCIRADKPKU-INIZCTEOSA-N 1 0 344.463 2.667 40 0 EFABRO Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)nc1 ZINC000096437426 473416588 /nfs/dbraw/zinc/41/65/88/473416588.db2.gz RZNQCIMIGGOBHV-GOSISDBHSA-N 1 0 344.503 2.738 40 0 EFABRO C[C@H]1C[C@H](NCc2ccccc2C[N@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437126 473416723 /nfs/dbraw/zinc/41/67/23/473416723.db2.gz DBXJAZGNDQBWLM-KSSFIOAISA-N 1 0 328.412 2.705 40 0 EFABRO COc1cccc(C[C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000096440180 473418510 /nfs/dbraw/zinc/41/85/10/473418510.db2.gz LLVSTBYCGVJZQS-MIGBEJBISA-N 1 0 345.487 2.941 40 0 EFABRO Cc1cnc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000096440066 473418553 /nfs/dbraw/zinc/41/85/53/473418553.db2.gz RRMWKBGDEOUPBP-CYBMUJFWSA-N 1 0 332.473 2.771 40 0 EFABRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000096440438 473418622 /nfs/dbraw/zinc/41/86/22/473418622.db2.gz FHQLWACCBOVRQM-JKSUJKDBSA-N 1 0 337.508 2.755 40 0 EFABRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000096440439 473418663 /nfs/dbraw/zinc/41/86/63/473418663.db2.gz FHQLWACCBOVRQM-HZPDHXFCSA-N 1 0 337.508 2.755 40 0 EFABRO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000096439887 473419124 /nfs/dbraw/zinc/41/91/24/473419124.db2.gz GYXGQRAMSJKWEF-HNNXBMFYSA-N 1 0 329.448 2.573 40 0 EFABRO OC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCOCC1 ZINC000125498397 473419557 /nfs/dbraw/zinc/41/95/57/473419557.db2.gz XONUSCACGVESIF-UHFFFAOYSA-N 1 0 343.427 2.721 40 0 EFABRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000096443994 473421772 /nfs/dbraw/zinc/42/17/72/473421772.db2.gz ZTLMMPOBYKKATA-QZTJIDSGSA-N 1 0 343.471 2.941 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000096445549 473423322 /nfs/dbraw/zinc/42/33/22/473423322.db2.gz FCALPMOWVWGKNR-JXFKEZNVSA-N 1 0 347.478 2.763 40 0 EFABRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3nc(C)cs3)C2)c1 ZINC000096449347 473425793 /nfs/dbraw/zinc/42/57/93/473425793.db2.gz CBGJWLNKXGKFNI-CYBMUJFWSA-N 1 0 333.457 2.837 40 0 EFABRO CCC[N@@H+]1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000096451283 473427894 /nfs/dbraw/zinc/42/78/94/473427894.db2.gz KMFOAJNPYTWESU-UHFFFAOYSA-N 1 0 339.439 2.804 40 0 EFABRO C[S@@](=O)c1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000096452226 473428281 /nfs/dbraw/zinc/42/82/81/473428281.db2.gz MBLNJRAACZYBNO-DEOSSOPVSA-N 1 0 349.500 2.953 40 0 EFABRO Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc(C)n1 ZINC000096456227 473432847 /nfs/dbraw/zinc/43/28/47/473432847.db2.gz KROXNUQNIDJUCP-UHFFFAOYSA-N 1 0 326.444 2.731 40 0 EFABRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000096461936 473434367 /nfs/dbraw/zinc/43/43/67/473434367.db2.gz DAXGSWATMUXOHS-KSSFIOAISA-N 1 0 336.863 2.972 40 0 EFABRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000096473626 473436941 /nfs/dbraw/zinc/43/69/41/473436941.db2.gz DPGVMIAPVMTGTQ-QGTPRVQTSA-N 1 0 332.444 2.533 40 0 EFABRO Brc1ccc(CN2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000096474726 473438111 /nfs/dbraw/zinc/43/81/11/473438111.db2.gz NPHYLYPLBCXMDW-MRXNPFEDSA-N 1 0 339.277 2.792 40 0 EFABRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000096479201 473440993 /nfs/dbraw/zinc/44/09/93/473440993.db2.gz HFDUKILSUCOKPK-LBPRGKRZSA-N 1 0 326.404 2.551 40 0 EFABRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000096483697 473441748 /nfs/dbraw/zinc/44/17/48/473441748.db2.gz XKMFEKJBFWSKIX-CABCVRRESA-N 1 0 325.416 2.540 40 0 EFABRO Cc1cnc(N2CCC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc1C ZINC000096486640 473444566 /nfs/dbraw/zinc/44/45/66/473444566.db2.gz VZLQZIPBGNMELX-GOSISDBHSA-N 1 0 325.460 2.837 40 0 EFABRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485941 473445138 /nfs/dbraw/zinc/44/51/38/473445138.db2.gz WQHOGAYPOLSXLI-KCXAZCMYSA-N 1 0 340.826 2.767 40 0 EFABRO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2cncs2)CC1 ZINC000096489998 473445863 /nfs/dbraw/zinc/44/58/63/473445863.db2.gz UWAJIMIKAIYLGC-UHFFFAOYSA-N 1 0 347.459 2.853 40 0 EFABRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000096490642 473446019 /nfs/dbraw/zinc/44/60/19/473446019.db2.gz JZVVMKUCLPCLNV-KBXCAEBGSA-N 1 0 338.455 2.814 40 0 EFABRO CCc1nc(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)sc1C ZINC000096491628 473447223 /nfs/dbraw/zinc/44/72/23/473447223.db2.gz WXRUSMMNUSJSMZ-KBPBESRZSA-N 1 0 330.519 2.502 40 0 EFABRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000096491567 473448321 /nfs/dbraw/zinc/44/83/21/473448321.db2.gz PBJLHORNCRPZAF-SJORKVTESA-N 1 0 332.469 2.723 40 0 EFABRO C[C@@H](C[NH2+]C1(CO)CCOCC1)c1cccc(Br)c1 ZINC000096493569 473449788 /nfs/dbraw/zinc/44/97/88/473449788.db2.gz REMSAHGHCRAHEK-LBPRGKRZSA-N 1 0 328.250 2.684 40 0 EFABRO c1csc(N2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)n1 ZINC000096494496 473450829 /nfs/dbraw/zinc/45/08/29/473450829.db2.gz GVBUMYQCGZEEPF-CQSZACIVSA-N 1 0 331.441 2.542 40 0 EFABRO COc1cc(-c2ccccc2)ccc1C[NH2+]C1(CO)CCOCC1 ZINC000096500610 473453194 /nfs/dbraw/zinc/45/31/94/473453194.db2.gz AQGFSUXLGKIVFX-UHFFFAOYSA-N 1 0 327.424 2.993 40 0 EFABRO Cc1cccc2c1CCN2C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000096500624 473453476 /nfs/dbraw/zinc/45/34/76/473453476.db2.gz USYDGTCTZWQFJX-UHFFFAOYSA-N 1 0 325.412 2.533 40 0 EFABRO Cc1ccc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000096503123 473454890 /nfs/dbraw/zinc/45/48/90/473454890.db2.gz CIFBGRACDXOUCQ-KXBFYZLASA-N 1 0 338.455 2.710 40 0 EFABRO O=C(Nc1cccc(COCCOc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000151620088 473479251 /nfs/dbraw/zinc/47/92/51/473479251.db2.gz ZCZYTEQQDGEFKA-QGZVFWFLSA-N 1 0 340.423 2.830 40 0 EFABRO C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000165706358 473513706 /nfs/dbraw/zinc/51/37/06/473513706.db2.gz OWHOHVDBHFCILX-AEFFLSMTSA-N 1 0 330.472 2.518 40 0 EFABRO C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000165706617 473514606 /nfs/dbraw/zinc/51/46/06/473514606.db2.gz OWHOHVDBHFCILX-SJLPKXTDSA-N 1 0 330.472 2.518 40 0 EFABRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)cc1 ZINC000168242012 473541582 /nfs/dbraw/zinc/54/15/82/473541582.db2.gz GFDTYSQSDBUMMJ-QWRGUYRKSA-N 1 0 337.445 2.611 40 0 EFABRO Cc1cc(CN(C)C(=O)[C@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000152417783 473560086 /nfs/dbraw/zinc/56/00/86/473560086.db2.gz VHXGMHLSSORSJN-AWEZNQCLSA-N 1 0 344.377 2.812 40 0 EFABRO CC(=O)N1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C(C)(C)C1 ZINC000192163178 473640489 /nfs/dbraw/zinc/64/04/89/473640489.db2.gz ICBBGXOCGIAPCW-UHFFFAOYSA-N 1 0 326.444 2.623 40 0 EFABRO O=C(CC[NH+]1CCN(c2cccc(O)c2)CC1)Nc1ccccc1F ZINC000192640904 473698781 /nfs/dbraw/zinc/69/87/81/473698781.db2.gz GSRBWIUDGUSIIN-UHFFFAOYSA-N 1 0 343.402 2.682 40 0 EFABRO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000192761959 473719984 /nfs/dbraw/zinc/71/99/84/473719984.db2.gz IUPQPMYXKPLPMG-CVEARBPZSA-N 1 0 349.544 2.922 40 0 EFABRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)o1)CC2 ZINC000192983869 473756046 /nfs/dbraw/zinc/75/60/46/473756046.db2.gz NWOROZPGALYDFD-ZJUUUORDSA-N 1 0 339.237 2.862 40 0 EFABRO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000180104006 473799948 /nfs/dbraw/zinc/79/99/48/473799948.db2.gz CVQIZEUBAQZJJW-UHFFFAOYSA-N 1 0 330.451 2.927 40 0 EFABRO Cc1c(Cl)cccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194599886 473923811 /nfs/dbraw/zinc/92/38/11/473923811.db2.gz RFOMSWGEXLJXRY-OAHLLOKOSA-N 1 0 336.863 2.833 40 0 EFABRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061059 473967705 /nfs/dbraw/zinc/96/77/05/473967705.db2.gz ODWZEEZHKXXFOL-LRDDRELGSA-N 1 0 346.862 2.881 40 0 EFABRO Cc1cc(C)c(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000188181880 474011809 /nfs/dbraw/zinc/01/18/09/474011809.db2.gz HZFSQLCAOODZBT-HXUWFJFHSA-N 1 0 342.439 2.605 40 0 EFABRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCSC1 ZINC000188234448 474029265 /nfs/dbraw/zinc/02/92/65/474029265.db2.gz WWXKRQBGFBHBNP-RISCZKNCSA-N 1 0 330.291 2.838 40 0 EFABRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C)(CO)CC2)C1 ZINC000195224118 474032495 /nfs/dbraw/zinc/03/24/95/474032495.db2.gz FKLVQPIUMGMLJL-SFHVURJKSA-N 1 0 326.481 2.728 40 0 EFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000195278338 474046110 /nfs/dbraw/zinc/04/61/10/474046110.db2.gz HFVBVICJXSMWSQ-MRXNPFEDSA-N 1 0 343.475 2.716 40 0 EFABRO O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000195531119 474090539 /nfs/dbraw/zinc/09/05/39/474090539.db2.gz KXGWHMCVQDKXPE-ZDUSSCGKSA-N 1 0 343.254 2.863 40 0 EFABRO CCCN(C(=O)c1cnn(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000195543735 474092530 /nfs/dbraw/zinc/09/25/30/474092530.db2.gz VIJWXFMNTCRPKH-UHFFFAOYSA-N 1 0 326.444 2.536 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1=COCC1 ZINC000195547784 474092608 /nfs/dbraw/zinc/09/26/08/474092608.db2.gz IXPXCEWWDKYHOB-KRWDZBQOSA-N 1 0 330.428 2.509 40 0 EFABRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000195549780 474092694 /nfs/dbraw/zinc/09/26/94/474092694.db2.gz QBLSPKRSNOTXSP-GOSISDBHSA-N 1 0 345.464 2.932 40 0 EFABRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000195546002 474092815 /nfs/dbraw/zinc/09/28/15/474092815.db2.gz SVUJICIXFKKLSI-WJFTUGDTSA-N 1 0 334.504 2.774 40 0 EFABRO CN(CCc1ccc(Br)cc1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000195559534 474096636 /nfs/dbraw/zinc/09/66/36/474096636.db2.gz LVNCJGCXPKBEJX-AWEZNQCLSA-N 1 0 325.250 2.577 40 0 EFABRO Cc1nc(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)sc1C ZINC000195566398 474097059 /nfs/dbraw/zinc/09/70/59/474097059.db2.gz XWGVBCQWXRWYAR-NSHDSACASA-N 1 0 343.452 2.924 40 0 EFABRO CN(C)C(=O)OCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000195566921 474097421 /nfs/dbraw/zinc/09/74/21/474097421.db2.gz FZQSBPDBKHHRIB-UHFFFAOYSA-N 1 0 344.415 2.614 40 0 EFABRO O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000195578272 474100867 /nfs/dbraw/zinc/10/08/67/474100867.db2.gz GXVUJKOROBPEGR-CEXWTWQISA-N 1 0 345.487 2.501 40 0 EFABRO C[C@H]([NH2+]CCOc1ccccc1Cl)C1CCS(=O)(=O)CC1 ZINC000275268192 474125584 /nfs/dbraw/zinc/12/55/84/474125584.db2.gz BLGVIRKAFAOPLO-LBPRGKRZSA-N 1 0 331.865 2.522 40 0 EFABRO [NH3+][C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218637987 474146721 /nfs/dbraw/zinc/14/67/21/474146721.db2.gz CNJSFLJDHFMEFR-KFWWJZLASA-N 1 0 325.792 2.746 40 0 EFABRO COc1ccc(N2[NH+]=C(N)C[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000222549716 474171220 /nfs/dbraw/zinc/17/12/20/474171220.db2.gz KFLSSOLREWDWQT-OAHLLOKOSA-N 1 0 327.384 2.936 40 0 EFABRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)[nH]1 ZINC000223248554 474182232 /nfs/dbraw/zinc/18/22/32/474182232.db2.gz XRFMPGHEMIAVOY-SJORKVTESA-N 1 0 343.500 2.642 40 0 EFABRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000225470764 474214585 /nfs/dbraw/zinc/21/45/85/474214585.db2.gz ZJDKDIRIUKRCFS-QFBILLFUSA-N 1 0 342.414 2.844 40 0 EFABRO [NH3+][C@H](CC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476560 474216015 /nfs/dbraw/zinc/21/60/15/474216015.db2.gz XOUZHTTVFNLXDP-MSOLQXFVSA-N 1 0 328.387 2.816 40 0 EFABRO O=C1OC[C@@H]2CCN(Cc3cccnc3)Cc3ccc(F)cc3N12 ZINC000225484596 474216733 /nfs/dbraw/zinc/21/67/33/474216733.db2.gz MDXDZBYHHAYXGL-INIZCTEOSA-N 1 0 327.359 2.952 40 0 biogenic,in-vitro EFABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccccc1C)C2 ZINC000225494811 474217943 /nfs/dbraw/zinc/21/79/43/474217943.db2.gz BZETYTBBEJBBPT-IBGZPJMESA-N 1 0 325.456 2.901 40 0 biogenic,in-vitro EFABRO CN1c2ncccc2C[N@@H+](Cc2c[nH]c3ccccc23)CC[C@H]1CO ZINC000225492550 474218266 /nfs/dbraw/zinc/21/82/66/474218266.db2.gz DYQVGQDACDQLNE-KRWDZBQOSA-N 1 0 336.439 2.766 40 0 biogenic,in-vitro EFABRO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](CC4CCOCC4)C3)C2)n1 ZINC000247877199 474220302 /nfs/dbraw/zinc/22/03/02/474220302.db2.gz PELFSHZXVFJRFF-LJQANCHMSA-N 1 0 346.471 2.567 40 0 EFABRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000225515007 474221379 /nfs/dbraw/zinc/22/13/79/474221379.db2.gz KRLFEBASHXAORQ-OTWHNJEPSA-N 1 0 333.520 2.607 40 0 EFABRO Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000225522627 474221407 /nfs/dbraw/zinc/22/14/07/474221407.db2.gz LRGGKSLNPZNJMS-INIZCTEOSA-N 1 0 336.439 2.903 40 0 EFABRO O=C(NCCc1ccccc1)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225576640 474226496 /nfs/dbraw/zinc/22/64/96/474226496.db2.gz FGJCRLNOSBUVEZ-SFHVURJKSA-N 1 0 347.528 2.746 40 0 EFABRO COc1cccc(-c2noc(N3CCC[C@H]3Cn3ccnc3C)n2)c1 ZINC000225598439 474227801 /nfs/dbraw/zinc/22/78/01/474227801.db2.gz QIDLPGHOGFMJOP-HNNXBMFYSA-N 1 0 339.399 2.919 40 0 EFABRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)ccc1F ZINC000225604461 474228447 /nfs/dbraw/zinc/22/84/47/474228447.db2.gz CTNACERNHRNLTO-UHFFFAOYSA-N 1 0 328.453 2.534 40 0 EFABRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2nc(C(C)C)no2)C1 ZINC000225603234 474228586 /nfs/dbraw/zinc/22/85/86/474228586.db2.gz LRVLNAMKKHAXFQ-ZDUSSCGKSA-N 1 0 335.477 2.916 40 0 EFABRO COc1cc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)ccc1F ZINC000282886359 474230119 /nfs/dbraw/zinc/23/01/19/474230119.db2.gz VTMQOUJQLZLWNI-UHFFFAOYSA-N 1 0 330.403 2.649 40 0 EFABRO Nc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000225615741 474230464 /nfs/dbraw/zinc/23/04/64/474230464.db2.gz GQYTZKAOFKNPDA-ZDUSSCGKSA-N 1 0 338.333 2.731 40 0 EFABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000247957370 474231581 /nfs/dbraw/zinc/23/15/81/474231581.db2.gz TYJQHKFTQYSZBJ-IBGZPJMESA-N 1 0 346.471 2.767 40 0 EFABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC000247959364 474233664 /nfs/dbraw/zinc/23/36/64/474233664.db2.gz UXNDEHDRRIRVTP-BBRMVZONSA-N 1 0 332.444 2.634 40 0 EFABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 ZINC000248026236 474246970 /nfs/dbraw/zinc/24/69/70/474246970.db2.gz MCBWIDSBSFPQDH-CVEARBPZSA-N 1 0 340.471 2.527 40 0 EFABRO Fc1cc(F)cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228931644 474250476 /nfs/dbraw/zinc/25/04/76/474250476.db2.gz WSLBZESEYUNLAE-UHFFFAOYSA-N 1 0 330.342 2.773 40 0 EFABRO CC1(C)[C@H]([NH2+]C[C@H](O)c2cccc(OC(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000230189291 474260089 /nfs/dbraw/zinc/26/00/89/474260089.db2.gz YTUWMSDBGSJBAC-BYNSBNAKSA-N 1 0 327.371 2.725 40 0 EFABRO COc1ccc([C@H](C[NH2+][C@H]2CCS[C@H]2C)N2CCOCC2)cc1 ZINC000230478755 474260776 /nfs/dbraw/zinc/26/07/76/474260776.db2.gz OLGSRTAVRDMHPD-WBAXXEDZSA-N 1 0 336.501 2.552 40 0 EFABRO C[NH+](C)CC[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 ZINC000248132998 474265867 /nfs/dbraw/zinc/26/58/67/474265867.db2.gz QYCSVWVYPXGLJC-KRWDZBQOSA-N 1 0 349.438 2.580 40 0 EFABRO COc1ccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCOC2)c(OC)c1 ZINC000248138223 474266054 /nfs/dbraw/zinc/26/60/54/474266054.db2.gz ODTFRTHVZFTDRK-MAUKXSAKSA-N 1 0 335.444 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CCc1ccc([C@H]2CN(C(=O)c3ccncc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257296849 474938740 /nfs/dbraw/zinc/93/87/40/474938740.db2.gz REQCOLIWRZBKNQ-VAMGGRTRSA-N 1 0 335.451 2.862 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 ZINC000257295401 474939393 /nfs/dbraw/zinc/93/93/93/474939393.db2.gz QYDZFUMTKLISAY-QGZVFWFLSA-N 1 0 342.418 2.584 40 0 EFABRO Cc1nc(C)c(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)s1 ZINC000257299872 474939866 /nfs/dbraw/zinc/93/98/66/474939866.db2.gz RSAAXYGALJDAIG-SCNOPHJPSA-N 1 0 333.501 2.776 40 0 EFABRO Cc1csc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)c1 ZINC000257300313 474941808 /nfs/dbraw/zinc/94/18/08/474941808.db2.gz RTUUPTQBLOLNRO-AWEZNQCLSA-N 1 0 331.441 2.508 40 0 EFABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)[nH+]1 ZINC000257309262 474944456 /nfs/dbraw/zinc/94/44/56/474944456.db2.gz UAGJMUSDSOHPBG-MRXNPFEDSA-N 1 0 339.439 2.851 40 0 EFABRO CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)s1 ZINC000257306454 474945675 /nfs/dbraw/zinc/94/56/75/474945675.db2.gz SUINHFICSUZWSK-FLTUCWPJSA-N 1 0 348.516 2.971 40 0 EFABRO CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257308135 474945966 /nfs/dbraw/zinc/94/59/66/474945966.db2.gz TVOFMMRRXHVCDU-ZHALLVOQSA-N 1 0 346.471 2.623 40 0 EFABRO Cn1nccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257310577 474947217 /nfs/dbraw/zinc/94/72/17/474947217.db2.gz UFSMTKHFJKZVJV-LNLFQRSKSA-N 1 0 338.455 2.561 40 0 EFABRO CO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@]12CCCO2 ZINC000257316556 474950149 /nfs/dbraw/zinc/95/01/49/474950149.db2.gz VGBVYHFFBBYEEK-HKUYNNGSSA-N 1 0 327.428 2.847 40 0 EFABRO Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2cnccn2)C1 ZINC000257320665 474951778 /nfs/dbraw/zinc/95/17/78/474951778.db2.gz VXVUXJJHWFJNGO-OAHLLOKOSA-N 1 0 335.411 2.541 40 0 EFABRO COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257320319 474952198 /nfs/dbraw/zinc/95/21/98/474952198.db2.gz VWFWYYXIUXKWBR-OAHLLOKOSA-N 1 0 327.428 2.984 40 0 EFABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3ccccc3F)CCO2)c1 ZINC000257325809 474955212 /nfs/dbraw/zinc/95/52/12/474955212.db2.gz WUNCRNMMYJRIAA-QGZVFWFLSA-N 1 0 329.375 2.785 40 0 EFABRO CC(=O)Nc1ncc(-c2cnc(C[C@@H]3CC[N@@H+](C(C)C)C3)cn2)s1 ZINC000257325202 474955384 /nfs/dbraw/zinc/95/53/84/474955384.db2.gz WRYBQFOFPYSJLY-ZDUSSCGKSA-N 1 0 345.472 2.831 40 0 EFABRO Cc1cncc([C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257328646 474957772 /nfs/dbraw/zinc/95/77/72/474957772.db2.gz XGOMGUTUVYRJJG-KRWDZBQOSA-N 1 0 327.428 2.536 40 0 EFABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000257333428 474958817 /nfs/dbraw/zinc/95/88/17/474958817.db2.gz YBMFMOZCGXIQAO-AWEZNQCLSA-N 1 0 341.459 2.553 40 0 EFABRO Cc1cccnc1C[N@@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257333485 474959855 /nfs/dbraw/zinc/95/98/55/474959855.db2.gz YBSSJAZQTQXJRN-QGZVFWFLSA-N 1 0 336.439 2.729 40 0 EFABRO CCOc1ncccc1C(=O)N1CC[C@@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257335273 474960790 /nfs/dbraw/zinc/96/07/90/474960790.db2.gz YJKYDMPBUIMEIM-CQSZACIVSA-N 1 0 340.427 2.855 40 0 EFABRO Cc1cncc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000257338056 474963248 /nfs/dbraw/zinc/96/32/48/474963248.db2.gz YVPDIZXOEBMNEK-QGZVFWFLSA-N 1 0 334.427 2.745 40 0 EFABRO c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc([C@@H]2CCCOC2)n1 ZINC000257340357 474964053 /nfs/dbraw/zinc/96/40/53/474964053.db2.gz ZFQKAJIKJWDTGN-QGZVFWFLSA-N 1 0 344.503 2.821 40 0 EFABRO C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000332920797 475782757 /nfs/dbraw/zinc/78/27/57/475782757.db2.gz JVJPDIGGWGPURO-RLFYNMQTSA-N 1 0 343.471 2.775 40 0 EFABRO Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)cnc1N1CCCC[C@H]1C ZINC000333201888 475868093 /nfs/dbraw/zinc/86/80/93/475868093.db2.gz YABIBABFVATISL-CVEARBPZSA-N 1 0 345.491 2.890 40 0 EFABRO Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cnc1N1CCCC[C@@H]1C ZINC000333201892 475868764 /nfs/dbraw/zinc/86/87/64/475868764.db2.gz YABIBABFVATISL-JKSUJKDBSA-N 1 0 345.491 2.890 40 0 EFABRO C[C@@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2c(O)cccc21 ZINC000333254865 475883759 /nfs/dbraw/zinc/88/37/59/475883759.db2.gz HQGHQAZOOCOVDP-HIFRSBDPSA-N 1 0 340.427 2.667 40 0 EFABRO [NH3+][C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H]1c1ccccc1F ZINC000333313117 475901746 /nfs/dbraw/zinc/90/17/46/475901746.db2.gz SFNSQGBBTUDSCC-DZGCQCFKSA-N 1 0 346.427 2.527 40 0 EFABRO C[C@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1cccs1 ZINC000333644544 475988890 /nfs/dbraw/zinc/98/88/90/475988890.db2.gz XVZIXBPNQIQFQP-LBPRGKRZSA-N 1 0 330.457 2.515 40 0 EFABRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000333646453 475990621 /nfs/dbraw/zinc/99/06/21/475990621.db2.gz JAYAWJODNLQVRH-JKIFEVAISA-N 1 0 341.459 2.927 40 0 EFABRO Cn1cc(C[C@H]2CC[N@H+](CC(=O)NC3CCCCCCC3)C2)cn1 ZINC000363307135 476644905 /nfs/dbraw/zinc/64/49/05/476644905.db2.gz OZIVZHGOUJEXCP-MRXNPFEDSA-N 1 0 332.492 2.514 40 0 EFABRO COCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000390833300 476804339 /nfs/dbraw/zinc/80/43/39/476804339.db2.gz FUKBRGUGVVWCDB-OALUTQOASA-N 1 0 342.483 2.926 40 0 EFABRO [NH3+]Cc1cc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)cc(C(F)(F)F)c1 ZINC000390833312 476804729 /nfs/dbraw/zinc/80/47/29/476804729.db2.gz FYLVYPQBBXPLSV-SNVBAGLBSA-N 1 0 338.333 2.631 40 0 EFABRO O=C([C@H]1CCC[C@@]12CC[N@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788346 478846155 /nfs/dbraw/zinc/84/61/55/478846155.db2.gz LIOKTPLQXGBAPI-WBVHZDCISA-N 1 0 335.398 2.551 40 0 EFABRO CC[NH+](CC)CC[C@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 ZINC000585096292 479280218 /nfs/dbraw/zinc/28/02/18/479280218.db2.gz GCMUSEHEKWKADS-INIZCTEOSA-N 1 0 342.443 2.518 40 0 EFABRO COCC[N@@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102299 479283029 /nfs/dbraw/zinc/28/30/29/479283029.db2.gz WPFFNGGVHWMXEF-FQEVSTJZSA-N 1 0 339.439 2.562 40 0 EFABRO O=C1CC[C@]2(CCC[N@H+](Cc3nccs3)CC2)N1C[C@@H]1CCCO1 ZINC000585099865 479283107 /nfs/dbraw/zinc/28/31/07/479283107.db2.gz MDVQNOFWLJKEDA-YJBOKZPZSA-N 1 0 349.500 2.669 40 0 EFABRO Cc1ccccc1C(=O)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000585099991 479283326 /nfs/dbraw/zinc/28/33/26/479283326.db2.gz CWWPWPYJHCMXIA-KRWDZBQOSA-N 1 0 328.456 2.855 40 0 EFABRO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(Cc1ccco1)C2 ZINC000585102764 479284003 /nfs/dbraw/zinc/28/40/03/479284003.db2.gz GVFHGMLCKBXKIA-SFHVURJKSA-N 1 0 341.455 2.788 40 0 EFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccoc3)C2)OC1 ZINC000585103458 479284392 /nfs/dbraw/zinc/28/43/92/479284392.db2.gz BHVYMCAUAVFSBY-GOSISDBHSA-N 1 0 341.455 2.788 40 0 EFABRO CC[N@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000585103144 479284781 /nfs/dbraw/zinc/28/47/81/479284781.db2.gz DNVQRVWQFKOOCU-GOSISDBHSA-N 1 0 330.472 2.958 40 0 EFABRO O=C(NCC[C@H]1CCOC12C[NH+](C1CCCC1)C2)C1CC(F)(F)C1 ZINC000585102610 479284999 /nfs/dbraw/zinc/28/49/99/479284999.db2.gz CAICFLCLPBGHDV-AWEZNQCLSA-N 1 0 342.430 2.572 40 0 EFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000585104001 479285220 /nfs/dbraw/zinc/28/52/20/479285220.db2.gz FLWZAQWAUZUIFF-GOSISDBHSA-N 1 0 341.455 2.788 40 0 EFABRO CC1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4cccnc4)[C@@H]3C2)CC1 ZINC000585107657 479287436 /nfs/dbraw/zinc/28/74/36/479287436.db2.gz JRKPEAKEEQVBSI-SOTJZCEJSA-N 1 0 327.472 2.941 40 0 EFABRO CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109672 479288009 /nfs/dbraw/zinc/28/80/09/479288009.db2.gz IEPBECNGPTZNLT-JYYRGQEPSA-N 1 0 338.455 2.719 40 0 EFABRO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](C[N@H+]2CCC(C)C)C1 ZINC000585107918 479288039 /nfs/dbraw/zinc/28/80/39/479288039.db2.gz FOHHLIJOUQITCQ-SJORKVTESA-N 1 0 336.501 2.736 40 0 EFABRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2ncccn2)[C@@H]1C ZINC000585141588 479298897 /nfs/dbraw/zinc/29/88/97/479298897.db2.gz DDVLYRWZHZUYFE-KFWWJZLASA-N 1 0 334.464 2.990 40 0 EFABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4C[NH2+]CCOC4)n3)n2c1 ZINC000585262766 479303753 /nfs/dbraw/zinc/30/37/53/479303753.db2.gz DFHIMQPAUOCGCW-CYBMUJFWSA-N 1 0 342.830 2.828 40 0 EFABRO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585275217 479304945 /nfs/dbraw/zinc/30/49/45/479304945.db2.gz ALOVZYOYKPSQOH-LJQANCHMSA-N 1 0 337.435 2.991 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@](O)(COc3ccccc3C)C2)[nH]1 ZINC000585277665 479306464 /nfs/dbraw/zinc/30/64/64/479306464.db2.gz NUEOXGRJPLYJGD-LJQANCHMSA-N 1 0 329.444 2.605 40 0 EFABRO CCc1ncc(C[N@@H+]2CC[C@H](Cc3cccc(C)c3)[C@H](O)C2)cn1 ZINC000585278305 479307026 /nfs/dbraw/zinc/30/70/26/479307026.db2.gz BOXSGFNSWOASHN-RTBURBONSA-N 1 0 325.456 2.773 40 0 EFABRO CNC(=O)CC[C@@]1(OC)CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000585278224 479307106 /nfs/dbraw/zinc/30/71/06/479307106.db2.gz NNZFGRYMMNCKQY-FQEVSTJZSA-N 1 0 341.455 2.742 40 0 EFABRO CO[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[C@@H]1Cc1ccccc1C ZINC000585289201 479309122 /nfs/dbraw/zinc/30/91/22/479309122.db2.gz FWTLTDKZGIPHKY-PDBZHATLSA-N 1 0 330.472 2.519 40 0 EFABRO C[N@H+](CCc1ccncc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288466 479309407 /nfs/dbraw/zinc/30/94/07/479309407.db2.gz BCNHMWLIWXLOTN-XUVXKRRUSA-N 1 0 326.440 2.917 40 0 EFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCNc3ccccn3)[C@H]2O)c1 ZINC000585288592 479309465 /nfs/dbraw/zinc/30/94/65/479309465.db2.gz FJMXJUCFVUAURR-NLWGTHIKSA-N 1 0 341.455 2.753 40 0 EFABRO CCCn1ccnc1C[NH2+]C[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585287013 479309473 /nfs/dbraw/zinc/30/94/73/479309473.db2.gz QTDMSEBDGGUOGH-YVWKXTFCSA-N 1 0 343.471 2.991 40 0 EFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCn3ccnc3)[C@H]2O)c1 ZINC000585288629 479309810 /nfs/dbraw/zinc/30/98/10/479309810.db2.gz FZCAPLLUHDATTB-IPMKNSEASA-N 1 0 329.444 2.532 40 0 EFABRO CCC[N@@H+](Cc1oc2cc(C)ccc2c1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291967 479310409 /nfs/dbraw/zinc/31/04/09/479310409.db2.gz UGQGPRRUCFTMIW-MDYRTPRTSA-N 1 0 347.455 2.630 40 0 EFABRO Cc1cc(C)n(CC[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)n1 ZINC000585289978 479310508 /nfs/dbraw/zinc/31/05/08/479310508.db2.gz YKXZYWBRUAXGBO-XUVXKRRUSA-N 1 0 343.471 2.759 40 0 EFABRO O=C(CCSc1ccccc1)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575605690 479450210 /nfs/dbraw/zinc/45/02/10/479450210.db2.gz GTPWTDOZYHRQRF-QGZVFWFLSA-N 1 0 348.512 2.786 40 0 EFABRO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000575606967 479450248 /nfs/dbraw/zinc/45/02/48/479450248.db2.gz NGENGXVYNGCLKO-HNNXBMFYSA-N 1 0 345.468 2.527 40 0 EFABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccccc2)CC[C@@]1(C)O ZINC000604382120 479509027 /nfs/dbraw/zinc/50/90/27/479509027.db2.gz FPKOICGIZZBHKN-PCCBWWKXSA-N 1 0 338.451 2.889 40 0 biogenic,in-vitro EFABRO Cn1nc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000607780165 479853815 /nfs/dbraw/zinc/85/38/15/479853815.db2.gz IGBAOIYGJVGYHP-UHFFFAOYSA-N 1 0 342.443 2.627 40 0 EFABRO Cc1cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc(C)c1F ZINC000333339356 500657265 /nfs/dbraw/zinc/65/72/65/500657265.db2.gz XRTAPNPVEKTPHF-SJORKVTESA-N 1 0 334.435 2.801 40 0 EFABRO COCc1nc(C)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000097230052 500824949 /nfs/dbraw/zinc/82/49/49/500824949.db2.gz UQEONZOIMVLZLN-UHFFFAOYSA-N 1 0 337.489 2.688 40 0 EFABRO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000048069264 525210196 /nfs/dbraw/zinc/21/01/96/525210196.db2.gz KEGBZQNPBPUPRN-JKSUJKDBSA-N 1 0 338.455 2.889 40 0 EFABRO Cc1ccccc1OCC(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225568963 525279949 /nfs/dbraw/zinc/27/99/49/525279949.db2.gz ACNHFZCVLJOAGW-KRWDZBQOSA-N 1 0 348.512 2.708 40 0 EFABRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000132923732 526699012 /nfs/dbraw/zinc/69/90/12/526699012.db2.gz VFONZBVXDPGWGX-SOAGJPPSSA-N 1 0 326.440 2.910 40 0 EFABRO CCC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000155233239 528200522 /nfs/dbraw/zinc/20/05/22/528200522.db2.gz CFYSDEREDAZYEW-UONOGXRCSA-N 1 0 330.350 2.651 40 0 EFABRO CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000178805012 528507404 /nfs/dbraw/zinc/50/74/04/528507404.db2.gz PKGNHGOUEVAMMI-GOSISDBHSA-N 1 0 343.471 2.750 40 0 EFABRO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 ZINC000182165700 528589359 /nfs/dbraw/zinc/58/93/59/528589359.db2.gz DZPHWHRECHSTIL-BLLLJJGKSA-N 1 0 346.443 2.533 40 0 EFABRO CCOc1ccccc1OCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174244868 528748400 /nfs/dbraw/zinc/74/84/00/528748400.db2.gz SOJPLPPJHVLDSX-MQVJKMGUSA-N 1 0 332.444 2.596 40 0 EFABRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000035425317 535180045 /nfs/dbraw/zinc/18/00/45/535180045.db2.gz CDABWISSDXLFSZ-HNNXBMFYSA-N 1 0 343.431 2.514 40 0 biogenic,in-vitro EFABRO CCc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000195557807 535924534 /nfs/dbraw/zinc/92/45/34/535924534.db2.gz KMADVJFAYDUFBD-IBGZPJMESA-N 1 0 338.451 2.746 40 0 EFABRO C[NH+](C)Cc1cccc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000193715707 536038221 /nfs/dbraw/zinc/03/82/21/536038221.db2.gz OHISPYLLYWBFED-UHFFFAOYSA-N 1 0 348.491 2.811 40 0 EFABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000257325363 536039876 /nfs/dbraw/zinc/03/98/76/536039876.db2.gz WSQCJIZGGHJSBT-LJQANCHMSA-N 1 0 339.439 2.886 40 0 EFABRO COc1ccccc1C(=O)N1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257243889 536993794 /nfs/dbraw/zinc/99/37/94/536993794.db2.gz IJAILWVMUOJSNX-INIZCTEOSA-N 1 0 340.427 2.524 40 0 EFABRO O=C1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4n3)CC[C@H]2N1C1CC1 ZINC000585094319 546371164 /nfs/dbraw/zinc/37/11/64/546371164.db2.gz JIPFRGBLAHOYJW-AUUYWEPGSA-N 1 0 336.439 2.605 40 0 EFABRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(C)c1 ZINC000657315302 547106024 /nfs/dbraw/zinc/10/60/24/547106024.db2.gz KMPKDGMHEKDKIU-QGZVFWFLSA-N 1 0 326.444 2.942 40 0 EFABRO C=Cn1cc(C[NH2+][C@H](C)[C@H](O)c2ccc(Br)cc2)cn1 ZINC000225583036 564023210 /nfs/dbraw/zinc/02/32/10/564023210.db2.gz OBHPLWKJRSLCDZ-ABAIWWIYSA-N 1 0 336.233 2.958 40 0 EFABRO C=Cn1cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000225583077 564149794 /nfs/dbraw/zinc/14/97/94/564149794.db2.gz OBHPLWKJRSLCDZ-IAQYHMDHSA-N 1 0 336.233 2.958 40 0 EFABRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000225583196 564149818 /nfs/dbraw/zinc/14/98/18/564149818.db2.gz STQGWJWPAJFOHU-HZPDHXFCSA-N 1 0 349.438 2.988 40 0 EFABRO CCCC[N@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)c2cccs2)[C@@H]1CO ZINC001772594908 1249139753 /nfs/dbraw/zinc/13/97/53/1249139753.db2.gz GEJNQDBAAMGEPN-BZUAXINKSA-N 1 0 338.517 2.939 40 0 EFABRO C[N@@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595984 1249170339 /nfs/dbraw/zinc/17/03/39/1249170339.db2.gz XGPTXZJQLDCHBJ-AOIWGVFYSA-N 1 0 340.398 2.753 40 0 EFABRO CC(C)Oc1ccc(C[NH2+]CC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000027666635 1099444911 /nfs/dbraw/zinc/44/49/11/1099444911.db2.gz XQTXPRFMPBUCGP-MRXNPFEDSA-N 1 0 334.460 2.637 40 0 EFABRO Cc1cccc(CC(=O)N(CC[NH+]2CCCC2)C2CCOCC2)c1 ZINC000675022032 1099666168 /nfs/dbraw/zinc/66/61/68/1099666168.db2.gz IJRSGLGBMHENSV-UHFFFAOYSA-N 1 0 330.472 2.641 40 0 EFABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000049155391 1100628969 /nfs/dbraw/zinc/62/89/69/1100628969.db2.gz DUQSTNKMZBAMQC-HNNXBMFYSA-N 1 0 331.395 2.502 40 0 biogenic,in-vitro EFABRO Cc1noc2nc(C)cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c12 ZINC000055193744 214285236 /nfs/dbraw/zinc/28/52/36/214285236.db2.gz RQNKNIYBKUSMNC-ZDUSSCGKSA-N 1 0 330.432 2.834 40 0 EFABRO COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000055748729 214340017 /nfs/dbraw/zinc/34/00/17/214340017.db2.gz RSMYCIIWOVADRF-FRRDWIJNSA-N 1 0 349.475 2.514 40 0 EFABRO O[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(-c2ccccc2)cc1 ZINC000004667222 210241804 /nfs/dbraw/zinc/24/18/04/210241804.db2.gz COQYEOGHDPETNY-ICSRJNTNSA-N 1 0 327.424 2.862 40 0 EFABRO Cc1ccsc1C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 ZINC000097953633 219064775 /nfs/dbraw/zinc/06/47/75/219064775.db2.gz DYYJXMWAGWRZEE-HRCADAONSA-N 1 0 334.485 2.516 40 0 EFABRO Cc1ccc(OCC[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000049605830 214022516 /nfs/dbraw/zinc/02/25/16/214022516.db2.gz MGGBMINGCIQACU-GOSISDBHSA-N 1 0 340.423 2.603 40 0 EFABRO COc1cc(C[NH2+][C@H](C)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000061030309 214653528 /nfs/dbraw/zinc/65/35/28/214653528.db2.gz XERGJYFTSIRHTQ-CQSZACIVSA-N 1 0 332.444 2.585 40 0 EFABRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000004322810 210169913 /nfs/dbraw/zinc/16/99/13/210169913.db2.gz GNTHFBFJOHZPEA-UHFFFAOYSA-N 1 0 345.679 2.877 40 0 EFABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cncc(F)c1 ZINC000132472077 529954954 /nfs/dbraw/zinc/95/49/54/529954954.db2.gz FYDBFKMIIFDANU-INIZCTEOSA-N 1 0 327.403 2.815 40 0 EFABRO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000048326067 213921427 /nfs/dbraw/zinc/92/14/27/213921427.db2.gz DTESLWMZJDAFSF-QGZVFWFLSA-N 1 0 333.407 2.891 40 0 EFABRO C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000174527267 530048122 /nfs/dbraw/zinc/04/81/22/530048122.db2.gz WZXNKASIZRFAMW-UHFFFAOYSA-N 1 0 329.444 2.593 40 0 EFABRO C[N@@H+]1CCC=C(COC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003593391 210060965 /nfs/dbraw/zinc/06/09/65/210060965.db2.gz MHZWAVGKTGFFPJ-HXUWFJFHSA-N 1 0 329.440 2.870 40 0 EFABRO CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000102716830 219224553 /nfs/dbraw/zinc/22/45/53/219224553.db2.gz HILFQSIWGPBBNN-CYBMUJFWSA-N 1 0 334.851 2.884 40 0 EFABRO O=C(c1ccccc1Br)N1CCC([NH+]2CC=CC2)CC1 ZINC000102726656 219225170 /nfs/dbraw/zinc/22/51/70/219225170.db2.gz OTUYJOVNQCRKBS-UHFFFAOYSA-N 1 0 335.245 2.926 40 0 EFABRO CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000066972733 215100060 /nfs/dbraw/zinc/10/00/60/215100060.db2.gz AVKWXJKLZBPYFA-UHFFFAOYSA-N 1 0 339.439 2.771 40 0 EFABRO CCN(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000102816644 219233232 /nfs/dbraw/zinc/23/32/32/219233232.db2.gz UNCFWHHNIVZMEO-GOSISDBHSA-N 1 0 338.407 2.849 40 0 EFABRO Cc1ccc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)cc1C ZINC000067698741 215189500 /nfs/dbraw/zinc/18/95/00/215189500.db2.gz ZEOMRKSRMVKZPU-INIZCTEOSA-N 1 0 341.377 2.967 40 0 EFABRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000067799881 215215680 /nfs/dbraw/zinc/21/56/80/215215680.db2.gz VLFHVDXLYQKPQP-UHFFFAOYSA-N 1 0 326.240 2.770 40 0 EFABRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2nccn2c1 ZINC000068389715 215304488 /nfs/dbraw/zinc/30/44/88/215304488.db2.gz HVNZKUBJBZXPBG-GOSISDBHSA-N 1 0 348.450 2.629 40 0 EFABRO FC(F)(F)c1cccnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000096453520 282927833 /nfs/dbraw/zinc/92/78/33/282927833.db2.gz XFDXIUPBQGGFCT-UHFFFAOYSA-N 1 0 329.366 2.649 40 0 EFABRO N=c1c2c(ncn1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000001558904 209759318 /nfs/dbraw/zinc/75/93/18/209759318.db2.gz DVJDHCWHJDSABJ-UHFFFAOYSA-N 1 0 330.435 2.969 40 0 EFABRO C[N@H+](CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C1CCCC1 ZINC000040019919 213251384 /nfs/dbraw/zinc/25/13/84/213251384.db2.gz QWAQMFBJLRLMMG-HXUWFJFHSA-N 1 0 341.455 2.992 40 0 EFABRO COC(=O)c1ccc([C@@H]2CCC[NH2+]C2)c(I)c1 ZINC000039951825 213243199 /nfs/dbraw/zinc/24/31/99/213243199.db2.gz LYENAGSBIGZHOX-SNVBAGLBSA-N 1 0 345.180 2.545 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590304 283176696 /nfs/dbraw/zinc/17/66/96/283176696.db2.gz SBLITLHHYWGWSZ-SFHVURJKSA-N 1 0 336.439 2.832 40 0 EFABRO COc1ccc(CNC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000036847503 213122020 /nfs/dbraw/zinc/12/20/20/213122020.db2.gz YANUBGBGZZCCFQ-CABCVRRESA-N 1 0 335.517 2.922 40 0 EFABRO COc1ccc(CNC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036847504 213122104 /nfs/dbraw/zinc/12/21/04/213122104.db2.gz YANUBGBGZZCCFQ-GJZGRUSLSA-N 1 0 335.517 2.922 40 0 EFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(Br)c1 ZINC000036393524 213096171 /nfs/dbraw/zinc/09/61/71/213096171.db2.gz VQNFDHWHYYBVAM-ZDUSSCGKSA-N 1 0 329.213 2.802 40 0 EFABRO C[NH+](C)CCCNc1nc2nccnc2c(Nc2ccc(F)cc2)n1 ZINC000036293355 213081768 /nfs/dbraw/zinc/08/17/68/213081768.db2.gz NDPNWZYLBKSXKJ-UHFFFAOYSA-N 1 0 341.394 2.666 40 0 EFABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)C)n2)cn1 ZINC000035425420 213026984 /nfs/dbraw/zinc/02/69/84/213026984.db2.gz DOAGODDTIWSDMB-HNNXBMFYSA-N 1 0 346.431 2.950 40 0 biogenic,in-vitro EFABRO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(-c2cncnc2N)no1 ZINC000035426045 213026681 /nfs/dbraw/zinc/02/66/81/213026681.db2.gz LLVWMELCCDLQHW-HNNXBMFYSA-N 1 0 336.399 2.754 40 0 biogenic,in-vitro EFABRO Cc1ccc(C(=O)C2CCN(C(=S)NCCC[NH+](C)C)CC2)cc1 ZINC000035314361 213021056 /nfs/dbraw/zinc/02/10/56/213021056.db2.gz RPASIPNQAVTFJV-UHFFFAOYSA-N 1 0 347.528 2.716 40 0 EFABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000035189288 213013153 /nfs/dbraw/zinc/01/31/53/213013153.db2.gz IZWKBHMVRKCCRM-GRUVHVDGSA-N 1 0 327.509 2.934 40 0 EFABRO COC(=O)c1ccc(/C=C/C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000072106901 216009171 /nfs/dbraw/zinc/00/91/71/216009171.db2.gz MZLPHXIIMDYMRO-FMIVXFBMSA-N 1 0 344.455 2.869 40 0 EFABRO Cc1snnc1C(=O)N[C@@H](CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000072244363 216082447 /nfs/dbraw/zinc/08/24/47/216082447.db2.gz XWEXYEXAOZSEAM-ZDUSSCGKSA-N 1 0 338.864 2.923 40 0 EFABRO CCc1c(C)sc2nc(C(C)C)n3c(nn(CC[NH+](C)C)c3=O)c12 ZINC000072335287 216156424 /nfs/dbraw/zinc/15/64/24/216156424.db2.gz SVILQQJBTVVJHQ-UHFFFAOYSA-N 1 0 347.488 2.662 40 0 EFABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)CC1 ZINC000072321974 216150015 /nfs/dbraw/zinc/15/00/15/216150015.db2.gz QNOOWDKLLJBBLG-SFHVURJKSA-N 1 0 344.434 2.683 40 0 biogenic,in-vitro EFABRO C[NH+](C)CC(=O)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359093 216166159 /nfs/dbraw/zinc/16/61/59/216166159.db2.gz NCQOMZRESFUTPA-HNNXBMFYSA-N 1 0 342.418 2.550 40 0 EFABRO CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340190 216158360 /nfs/dbraw/zinc/15/83/60/216158360.db2.gz PNPDDXLMSPLHIB-SIXWZSSISA-N 1 0 331.412 2.570 40 0 EFABRO C[NH+]1CCC(c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)CC1 ZINC000072360759 216167614 /nfs/dbraw/zinc/16/76/14/216167614.db2.gz GYNKCORBFPFEFY-UHFFFAOYSA-N 1 0 330.453 2.961 40 0 EFABRO CN(C)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072349515 216160663 /nfs/dbraw/zinc/16/06/63/216160663.db2.gz RWTSHTXDCPJJRM-UHFFFAOYSA-N 1 0 337.467 2.940 40 0 EFABRO Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350565 216162056 /nfs/dbraw/zinc/16/20/56/216162056.db2.gz LSIKAEWBUTWBDU-INIZCTEOSA-N 1 0 334.427 2.745 40 0 EFABRO Cc1cc(CCC(=O)NCc2cccnc2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360551 216167697 /nfs/dbraw/zinc/16/76/97/216167697.db2.gz LHELXZVTUFHWTH-LJQANCHMSA-N 1 0 338.455 2.801 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072362871 216169959 /nfs/dbraw/zinc/16/99/59/216169959.db2.gz BHQXQAPTMOEHEA-HNNXBMFYSA-N 1 0 340.427 2.537 40 0 EFABRO C[NH2+]CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1 ZINC000072363295 216169981 /nfs/dbraw/zinc/16/99/81/216169981.db2.gz CQMVEEZXLVIEJG-OAHLLOKOSA-N 1 0 340.427 2.503 40 0 EFABRO C[NH2+]CC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000072363311 216170099 /nfs/dbraw/zinc/17/00/99/216170099.db2.gz CZGOFIYJFGIPGZ-OAHLLOKOSA-N 1 0 340.427 2.503 40 0 EFABRO C[NH2+]CC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2C)C1 ZINC000072363296 216170452 /nfs/dbraw/zinc/17/04/52/216170452.db2.gz CQMVEEZXLVIEJG-HNNXBMFYSA-N 1 0 340.427 2.503 40 0 EFABRO C[NH2+]CC(=O)N1CCC(c2nccnc2Oc2ccc(C)cc2)CC1 ZINC000072363308 216170606 /nfs/dbraw/zinc/17/06/06/216170606.db2.gz JQLGBAHFQSICPY-UHFFFAOYSA-N 1 0 340.427 2.503 40 0 EFABRO COCC[NH+]1CCC(c2nccnc2Nc2nc(C)cs2)CC1 ZINC000072367902 216174895 /nfs/dbraw/zinc/17/48/95/216174895.db2.gz ONTXDGHDTIULQM-UHFFFAOYSA-N 1 0 333.461 2.811 40 0 EFABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC000072374042 216177121 /nfs/dbraw/zinc/17/71/21/216177121.db2.gz FIILQRLIDSYAFL-INIZCTEOSA-N 1 0 345.491 2.748 40 0 EFABRO Cc1cccnc1Nc1cccc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072375452 216178436 /nfs/dbraw/zinc/17/84/36/216178436.db2.gz FAFGZDCGEZLMFB-MRXNPFEDSA-N 1 0 339.443 2.754 40 0 EFABRO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072372996 216177707 /nfs/dbraw/zinc/17/77/07/216177707.db2.gz HCFBITRWWRFUEI-LSDHHAIUSA-N 1 0 325.412 2.631 40 0 EFABRO Cc1nc([C@@H]2CC[N@@H+]2CCc2ccccc2)cc(N2CCOCC2)n1 ZINC000072387527 216186259 /nfs/dbraw/zinc/18/62/59/216186259.db2.gz DVYDVRVDZHALMQ-IBGZPJMESA-N 1 0 338.455 2.611 40 0 EFABRO COCC(=O)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 ZINC000072393479 216193021 /nfs/dbraw/zinc/19/30/21/216193021.db2.gz KAXGXZGHSCFCKR-UHFFFAOYSA-N 1 0 348.462 2.865 40 0 EFABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c2nccnc21 ZINC000072393842 216193319 /nfs/dbraw/zinc/19/33/19/216193319.db2.gz RFAAMJYMIPPYHU-CQSZACIVSA-N 1 0 325.391 2.882 40 0 EFABRO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000000115850 209430808 /nfs/dbraw/zinc/43/08/08/209430808.db2.gz BYZIUDKSAIYKBZ-KSZLIROESA-N 1 0 346.496 2.514 40 0 EFABRO O=C([C@@H]1CCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294287 296021264 /nfs/dbraw/zinc/02/12/64/296021264.db2.gz ZQHYMPOAWVGUSP-RDGPPVDQSA-N 1 0 346.446 2.831 40 0 EFABRO COCCn1ccc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)n1 ZINC000190232185 238316806 /nfs/dbraw/zinc/31/68/06/238316806.db2.gz ACILNJCSPAMBRB-UHFFFAOYSA-N 1 0 342.443 2.753 40 0 EFABRO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(F)cc1F ZINC000130201824 223132574 /nfs/dbraw/zinc/13/25/74/223132574.db2.gz VZFSMEPQQMVJHU-QWHCGFSZSA-N 1 0 325.403 2.661 40 0 EFABRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130437708 223152002 /nfs/dbraw/zinc/15/20/02/223152002.db2.gz CTZKCRQVCNOQCE-WMZOPIPTSA-N 1 0 336.501 2.726 40 0 EFABRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000027396278 212554962 /nfs/dbraw/zinc/55/49/62/212554962.db2.gz JKXQPLJRARLPSN-FZMZJTMJSA-N 1 0 340.851 2.881 40 0 EFABRO Cc1n[nH]cc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000073303065 216374776 /nfs/dbraw/zinc/37/47/76/216374776.db2.gz RBLSSHNUFCEOMT-ZDUSSCGKSA-N 1 0 328.416 2.691 40 0 EFABRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3cccnc3)cc2)C1 ZINC000073303440 216375392 /nfs/dbraw/zinc/37/53/92/216375392.db2.gz ZSFNCZDONGRNTF-MRXNPFEDSA-N 1 0 339.439 2.983 40 0 EFABRO Cc1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)on1 ZINC000073303043 216375858 /nfs/dbraw/zinc/37/58/58/216375858.db2.gz FBCDUWQGOXUFNE-CYBMUJFWSA-N 1 0 329.400 2.956 40 0 EFABRO Cc1nnc(-c2cccc(C(=O)N3CCC[N@@H+](C(C)C)CC3)c2)o1 ZINC000073334223 216379023 /nfs/dbraw/zinc/37/90/23/216379023.db2.gz NHNGWOHLPWXZNU-UHFFFAOYSA-N 1 0 328.416 2.601 40 0 EFABRO Cc1cc(NCc2ccnn2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191678530 239245543 /nfs/dbraw/zinc/24/55/43/239245543.db2.gz GJDJWHNHMLJPQO-UHFFFAOYSA-N 1 0 327.476 2.871 40 0 EFABRO OCC[NH2+]CCNCc1ccccc1OCc1ccccc1Cl ZINC000023468440 212378566 /nfs/dbraw/zinc/37/85/66/212378566.db2.gz WBAHMGKUMQVTLG-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO OCC[NH2+]CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000023263547 212364328 /nfs/dbraw/zinc/36/43/28/212364328.db2.gz GHWGBMOCCCMTKQ-UHFFFAOYSA-N 1 0 334.847 2.591 40 0 EFABRO CN1CCN([C@H](C[NH2+]Cc2ccc(O)cc2)c2cccs2)CC1 ZINC000023248974 212363704 /nfs/dbraw/zinc/36/37/04/212363704.db2.gz JNDVVBAJWWJHPX-QGZVFWFLSA-N 1 0 331.485 2.532 40 0 EFABRO COc1ccc([C@@H](CNC(=O)CCc2c(C)noc2C)[NH+](C)C)cc1 ZINC000023228119 212361233 /nfs/dbraw/zinc/36/12/33/212361233.db2.gz KSHKBXKBVJMNDM-GOSISDBHSA-N 1 0 345.443 2.652 40 0 EFABRO O=C(COc1ccccc1F)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127978 212352284 /nfs/dbraw/zinc/35/22/84/212352284.db2.gz FDWHVHBVWCMGLF-UHFFFAOYSA-N 1 0 334.435 2.975 40 0 EFABRO O=C(Cc1ccc(F)cc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023128014 212351613 /nfs/dbraw/zinc/35/16/13/212351613.db2.gz JEXHJBQODOIGSM-UHFFFAOYSA-N 1 0 330.403 2.990 40 0 EFABRO C[NH+](C)CCN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccn1 ZINC000022913971 212333438 /nfs/dbraw/zinc/33/34/38/212333438.db2.gz HPTPPJNOBBGRAT-IBGZPJMESA-N 1 0 343.475 2.541 40 0 EFABRO c1cc(CN2CCCC[C@H]2C[NH+]2CCCCC2)nc(N2CCCC2)n1 ZINC000022863208 212329548 /nfs/dbraw/zinc/32/95/48/212329548.db2.gz QAWKLLYESJUVRX-IBGZPJMESA-N 1 0 343.519 2.917 40 0 EFABRO Cc1ccccc1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000022771229 212324200 /nfs/dbraw/zinc/32/42/00/212324200.db2.gz KJKYNVNGVQZOEX-UHFFFAOYSA-N 1 0 348.450 2.549 40 0 EFABRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000022687769 212317594 /nfs/dbraw/zinc/31/75/94/212317594.db2.gz HLRKSLRFHSDRSD-CYBMUJFWSA-N 1 0 334.441 2.798 40 0 EFABRO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000245312454 240252873 /nfs/dbraw/zinc/25/28/73/240252873.db2.gz JIPDLDSRKJOMDY-NCOADZHNSA-N 1 0 348.491 2.719 40 0 EFABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)cn3C)C2)cc1CO ZINC000257339521 240313423 /nfs/dbraw/zinc/31/34/23/240313423.db2.gz ZCBMWMFPHCJZOR-QGZVFWFLSA-N 1 0 343.471 2.999 40 0 EFABRO CC(C)C[N@@H+]1CCO[C@H](CSc2n[nH]c(-c3cccs3)n2)C1 ZINC000022227503 212282647 /nfs/dbraw/zinc/28/26/47/212282647.db2.gz CAFJUYMSMZTYDL-LBPRGKRZSA-N 1 0 338.502 2.982 40 0 EFABRO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OC ZINC000022076088 212276597 /nfs/dbraw/zinc/27/65/97/212276597.db2.gz AAYRKXDEALYWOO-UHFFFAOYSA-N 1 0 331.254 2.508 40 0 EFABRO C[C@H](C[NH+]1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(F)cc1 ZINC000195572814 241019969 /nfs/dbraw/zinc/01/99/69/241019969.db2.gz RYALZUCAXDIUBO-QGZVFWFLSA-N 1 0 347.478 2.559 40 0 EFABRO Clc1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)cc1Cl ZINC000216642492 241202641 /nfs/dbraw/zinc/20/26/41/241202641.db2.gz WBWVLMNZSHUOSI-UHFFFAOYSA-N 1 0 329.256 2.845 40 0 EFABRO CC[NH+]1CCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000022030670 212272250 /nfs/dbraw/zinc/27/22/50/212272250.db2.gz YHGMGJZUNQTMDT-ADKAHSJRSA-N 1 0 326.525 2.606 40 0 EFABRO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(O)CC1 ZINC000022011109 212270247 /nfs/dbraw/zinc/27/02/47/212270247.db2.gz YQYMPSBTQIUQPX-IBGZPJMESA-N 1 0 327.424 2.550 40 0 EFABRO COC(=O)c1ccc(C)c(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225433409 241861034 /nfs/dbraw/zinc/86/10/34/241861034.db2.gz DMQKXSNQTVWRJK-UHFFFAOYSA-N 1 0 335.473 2.554 40 0 EFABRO O=C(NC[C@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905466 242074777 /nfs/dbraw/zinc/07/47/77/242074777.db2.gz JTRSLFFZYOZOII-NVXWUHKLSA-N 1 0 336.863 2.847 40 0 EFABRO Fc1cccnc1OC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000225773100 242029336 /nfs/dbraw/zinc/02/93/36/242029336.db2.gz FDPXZGLDKNNYGF-KRWDZBQOSA-N 1 0 338.423 2.997 40 0 EFABRO CCCc1nnc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000226751538 242113519 /nfs/dbraw/zinc/11/35/19/242113519.db2.gz WCHLFBAYCSVPQD-KGLIPLIRSA-N 1 0 330.457 2.775 40 0 EFABRO C[N@@H+]1C[C@H](C(=O)NCCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000226752797 242113674 /nfs/dbraw/zinc/11/36/74/242113674.db2.gz QCHFRUNUBBOCPV-MSOLQXFVSA-N 1 0 326.415 2.830 40 0 EFABRO CCC[n+]1cc(Br)cc(-c2nn3c(C)nnc3s2)c1 ZINC000226774061 242115202 /nfs/dbraw/zinc/11/52/02/242115202.db2.gz KAIDNVUGOLGYEG-UHFFFAOYSA-N 1 0 339.242 2.621 40 0 EFABRO CN1Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3c3ccccc3)cc2C1=O ZINC000230104100 242232119 /nfs/dbraw/zinc/23/21/19/242232119.db2.gz LQCSGYIDAUROJJ-OALUTQOASA-N 1 0 349.434 2.556 40 0 EFABRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969491 243008369 /nfs/dbraw/zinc/00/83/69/243008369.db2.gz UWQORDYKBWRBKB-MOPGFXCFSA-N 1 0 341.455 2.936 40 0 EFABRO c1cc2n(n1)[C@@H](C[NH+]1CCCC1)CN(CCOCc1ccccc1)C2 ZINC000253603340 244034560 /nfs/dbraw/zinc/03/45/60/244034560.db2.gz DHHHSRVPBNWULF-FQEVSTJZSA-N 1 0 340.471 2.552 40 0 EFABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCn3ccnc3)cc2)C1 ZINC000020456316 212132170 /nfs/dbraw/zinc/13/21/70/212132170.db2.gz IHXDDBTYLYCPTA-KRWDZBQOSA-N 1 0 340.471 2.935 40 0 EFABRO C[C@@]1(c2nccc(CN3CCC([NH+]4CCCCC4)CC3)n2)CCCO1 ZINC000257201893 244120454 /nfs/dbraw/zinc/12/04/54/244120454.db2.gz AJNRRZLPHHRUGT-FQEVSTJZSA-N 1 0 344.503 2.953 40 0 EFABRO Cn1cc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)cn1 ZINC000257201200 244120571 /nfs/dbraw/zinc/12/05/71/244120571.db2.gz AGSUICYCIFMAEB-UHFFFAOYSA-N 1 0 349.442 2.728 40 0 EFABRO COc1ccc([C@@H]2C[N@H+](Cc3c(C)nn(C)c3C)CCN2C)cc1 ZINC000257202659 244124393 /nfs/dbraw/zinc/12/43/93/244124393.db2.gz AMTXHHMWMFWNIE-IBGZPJMESA-N 1 0 328.460 2.534 40 0 EFABRO Cc1cncc(C2CC[NH+](Cc3cnn4c3nc(C)cc4C)CC2)n1 ZINC000257204184 244127617 /nfs/dbraw/zinc/12/76/17/244127617.db2.gz ATKXTZCHCUBDBI-UHFFFAOYSA-N 1 0 336.443 2.824 40 0 EFABRO C[N@@H+]1CCN(Cc2cc[nH]n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257217578 244172981 /nfs/dbraw/zinc/17/29/81/244172981.db2.gz CZOFTVGFBCCRHA-MRXNPFEDSA-N 1 0 335.455 2.564 40 0 EFABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCCC[NH2+]3)nc2C)c1 ZINC000257221244 244186092 /nfs/dbraw/zinc/18/60/92/244186092.db2.gz DOBZAVIBWUHYFL-QGZVFWFLSA-N 1 0 340.427 2.538 40 0 EFABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2cccnc2)cc1 ZINC000257221767 244188441 /nfs/dbraw/zinc/18/84/41/244188441.db2.gz DQKWVUVSNWKYTH-LJQANCHMSA-N 1 0 339.439 2.584 40 0 EFABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257224659 244195029 /nfs/dbraw/zinc/19/50/29/244195029.db2.gz FCTQRARCFMVGIT-INIZCTEOSA-N 1 0 331.391 2.630 40 0 EFABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257227253 244203947 /nfs/dbraw/zinc/20/39/47/244203947.db2.gz FOIJERFKPXTDRE-MRXNPFEDSA-N 1 0 327.428 2.879 40 0 EFABRO Cc1ncsc1C[NH+]1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257227142 244204304 /nfs/dbraw/zinc/20/43/04/244204304.db2.gz FNXAYZHUFKVLBG-UHFFFAOYSA-N 1 0 329.429 2.579 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3cccc4ncccc43)CCO2)[nH+]1 ZINC000257229312 244208034 /nfs/dbraw/zinc/20/80/34/244208034.db2.gz FXPGYALICZGUHR-IBGZPJMESA-N 1 0 348.406 2.734 40 0 EFABRO c1ccc2c(C[N@H+]3CCOC[C@@H](Cc4cnccn4)C3)ccnc2c1 ZINC000257230120 244209726 /nfs/dbraw/zinc/20/97/26/244209726.db2.gz GAXWDSWTKNCNKW-INIZCTEOSA-N 1 0 334.423 2.716 40 0 EFABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)C(C)(C)O)C2)[nH+]1 ZINC000257245905 244256318 /nfs/dbraw/zinc/25/63/18/244256318.db2.gz IRPFFOZEIAEZDU-LBPRGKRZSA-N 1 0 346.456 2.677 40 0 EFABRO COc1cccc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c1 ZINC000257239724 244239718 /nfs/dbraw/zinc/23/97/18/244239718.db2.gz HQNHGPRNLITUTQ-GOSISDBHSA-N 1 0 326.444 2.884 40 0 EFABRO Cc1cncc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000257248295 244262469 /nfs/dbraw/zinc/26/24/69/244262469.db2.gz JDAFUXRKZUVKMK-GOSISDBHSA-N 1 0 338.455 2.866 40 0 EFABRO Cc1cncc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000257248296 244263094 /nfs/dbraw/zinc/26/30/94/244263094.db2.gz JDAFUXRKZUVKMK-SFHVURJKSA-N 1 0 338.455 2.866 40 0 EFABRO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257252501 244274206 /nfs/dbraw/zinc/27/42/06/244274206.db2.gz JVABTMGJBGGSJT-INIZCTEOSA-N 1 0 349.438 2.558 40 0 EFABRO CN(C)c1nc([C@@]2(C)CCC[N@@H+](C3CCOCC3)C2)cn2cccc12 ZINC000257254089 244274821 /nfs/dbraw/zinc/27/48/21/244274821.db2.gz KBNRAMGKWDQJLB-FQEVSTJZSA-N 1 0 342.487 2.933 40 0 EFABRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257253601 244276641 /nfs/dbraw/zinc/27/66/41/244276641.db2.gz JZOAHHXGINYPSU-OAHLLOKOSA-N 1 0 337.427 2.582 40 0 EFABRO C[NH+]1CCN(CCCOc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000020118660 212103177 /nfs/dbraw/zinc/10/31/77/212103177.db2.gz HHIGAMSWJGLFOM-UHFFFAOYSA-N 1 0 338.451 2.934 40 0 EFABRO CNc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc(C(C)C)nc3)C2)nn1 ZINC000257258410 244289695 /nfs/dbraw/zinc/28/96/95/244289695.db2.gz KTTDGKQHVSKRNI-HNNXBMFYSA-N 1 0 340.475 2.886 40 0 EFABRO Cc1c[nH]c(-c2cc(C)nc([C@H]3CC[N@H+](Cc4cncs4)C3)n2)n1 ZINC000257258427 244290401 /nfs/dbraw/zinc/29/04/01/244290401.db2.gz KTUQOWCBXSUNTM-ZDUSSCGKSA-N 1 0 340.456 2.930 40 0 EFABRO COc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000020107676 212101014 /nfs/dbraw/zinc/10/10/14/212101014.db2.gz ZDTIVOFXYGSPTB-MRXNPFEDSA-N 1 0 334.460 2.845 40 0 EFABRO Cc1c[nH]c(-c2cncc(C[C@H]3CC[N@H+](Cc4cncs4)C3)n2)n1 ZINC000257266393 244363494 /nfs/dbraw/zinc/36/34/94/244363494.db2.gz MCVFXAVEFZOOAX-CYBMUJFWSA-N 1 0 340.456 2.696 40 0 EFABRO COc1ccccc1CN1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257270831 244376374 /nfs/dbraw/zinc/37/63/74/244376374.db2.gz MVVJHKIMFWYPCK-QGZVFWFLSA-N 1 0 327.428 2.506 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2cccc(F)c2)cc1 ZINC000257264796 244357682 /nfs/dbraw/zinc/35/76/82/244357682.db2.gz LWBACSJVXLLRIE-SFHVURJKSA-N 1 0 328.387 2.550 40 0 EFABRO COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)cc1 ZINC000257265262 244358424 /nfs/dbraw/zinc/35/84/24/244358424.db2.gz LXXJHBSHFWVKLM-HKUYNNGSSA-N 1 0 332.444 2.549 40 0 EFABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2scnc2C)n1 ZINC000257265083 244358510 /nfs/dbraw/zinc/35/85/10/244358510.db2.gz LXGWQFVVCQGPPF-INIZCTEOSA-N 1 0 330.457 2.820 40 0 EFABRO CC(C)n1nccc1C[N@@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257277090 244393987 /nfs/dbraw/zinc/39/39/87/244393987.db2.gz NWIZSQQKMYNXPL-UHFFFAOYSA-N 1 0 326.448 2.721 40 0 EFABRO C[C@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000019913981 212083687 /nfs/dbraw/zinc/08/36/87/212083687.db2.gz BUXKCOXPBUKEKR-WMZOPIPTSA-N 1 0 336.501 2.713 40 0 EFABRO Cc1nnsc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257294467 244442635 /nfs/dbraw/zinc/44/26/35/244442635.db2.gz QUHZHMAIBRIPIM-JYJNAYRXSA-N 1 0 342.468 2.597 40 0 EFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 ZINC000019590376 212049171 /nfs/dbraw/zinc/04/91/71/212049171.db2.gz MCBWIDSBSFPQDH-JKSUJKDBSA-N 1 0 340.471 2.527 40 0 EFABRO CN(C(=O)C(F)F)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019590841 212048795 /nfs/dbraw/zinc/04/87/95/212048795.db2.gz IOWACDDPZSRFON-UHFFFAOYSA-N 1 0 338.398 2.916 40 0 EFABRO C[N@@H+]1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CCC2CCCC2)C3)C1 ZINC000019587935 212048483 /nfs/dbraw/zinc/04/84/83/212048483.db2.gz FUGGSKLQNMFJDE-MRXNPFEDSA-N 1 0 342.487 2.751 40 0 EFABRO COc1cccc(CN2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019565456 212044001 /nfs/dbraw/zinc/04/40/01/212044001.db2.gz JHGAQIHMINMUIL-MRXNPFEDSA-N 1 0 338.455 2.511 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1 ZINC000019555140 212041586 /nfs/dbraw/zinc/04/15/86/212041586.db2.gz GGUDVISNCKKTJO-MRXNPFEDSA-N 1 0 339.439 2.578 40 0 EFABRO CCOc1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533368 212039039 /nfs/dbraw/zinc/03/90/39/212039039.db2.gz YNJACQZUAQAWPF-IBGZPJMESA-N 1 0 338.455 2.858 40 0 EFABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019503731 212035458 /nfs/dbraw/zinc/03/54/58/212035458.db2.gz IDNLUGYVAIUIRE-OAHLLOKOSA-N 1 0 328.416 2.589 40 0 EFABRO CCCC(=O)NCCn1nc(-c2ccccc2F)cc1C[NH+](C)C ZINC000019501747 212034079 /nfs/dbraw/zinc/03/40/79/212034079.db2.gz ZYVFCTHABZLHOE-UHFFFAOYSA-N 1 0 332.423 2.667 40 0 EFABRO C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000019457741 212029811 /nfs/dbraw/zinc/02/98/11/212029811.db2.gz CYQUFWHZCIXFPK-HOTGVXAUSA-N 1 0 328.460 2.615 40 0 EFABRO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000019374802 212023903 /nfs/dbraw/zinc/02/39/03/212023903.db2.gz LSRFQANUOPYWGL-FQEVSTJZSA-N 1 0 340.398 2.983 40 0 EFABRO O[C@@H]1C[C@H]2CN(CCc3ccccc3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019371353 212023108 /nfs/dbraw/zinc/02/31/08/212023108.db2.gz GAVRZYAYVCPRFU-FDFHNCONSA-N 1 0 336.479 2.591 40 0 EFABRO O=C(Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21)N1CCCCCC1 ZINC000019347072 212020261 /nfs/dbraw/zinc/02/02/61/212020261.db2.gz DFVFBWYJEPZZSA-KRWDZBQOSA-N 1 0 340.471 2.906 40 0 EFABRO O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000095405364 284262530 /nfs/dbraw/zinc/26/25/30/284262530.db2.gz DYDQLEBLACJIKA-OALUTQOASA-N 1 0 349.519 2.852 40 0 EFABRO O=c1cc(-c2cccnc2)nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339106 212017767 /nfs/dbraw/zinc/01/77/67/212017767.db2.gz CSRWABVXGDHDMR-QGZVFWFLSA-N 1 0 347.422 2.607 40 0 EFABRO COc1cccc(C[NH+]2CCC(c3nn(C)c4nccnc34)CC2)c1 ZINC000019289447 212012067 /nfs/dbraw/zinc/01/20/67/212012067.db2.gz WEIJJERNKJHFCE-UHFFFAOYSA-N 1 0 337.427 2.752 40 0 EFABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019289394 212011958 /nfs/dbraw/zinc/01/19/58/212011958.db2.gz VTIALMPDLOIZNM-HNNXBMFYSA-N 1 0 337.427 2.752 40 0 EFABRO O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292373 212011845 /nfs/dbraw/zinc/01/18/45/212011845.db2.gz OFNQYBMMAKQGKJ-MRXNPFEDSA-N 1 0 342.487 2.799 40 0 EFABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019289393 212011398 /nfs/dbraw/zinc/01/13/98/212011398.db2.gz VTIALMPDLOIZNM-OAHLLOKOSA-N 1 0 337.427 2.752 40 0 EFABRO O=C(CC1CCCCC1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292344 212011419 /nfs/dbraw/zinc/01/14/19/212011419.db2.gz HKRXPBDLLWXMSX-QGZVFWFLSA-N 1 0 328.460 2.756 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c2ccccc12 ZINC000019286432 212009804 /nfs/dbraw/zinc/00/98/04/212009804.db2.gz JIPTXCITJAHWQI-UHFFFAOYSA-N 1 0 349.434 2.841 40 0 EFABRO Cc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1Cc1ccccc1 ZINC000019237266 212008784 /nfs/dbraw/zinc/00/87/84/212008784.db2.gz HWCRZKYADOESCK-BHIFYINESA-N 1 0 336.479 2.857 40 0 EFABRO CC(=O)Nc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000078411735 217049837 /nfs/dbraw/zinc/04/98/37/217049837.db2.gz BKHGMELOWLQBEW-UHFFFAOYSA-N 1 0 349.438 2.773 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000078394355 217046934 /nfs/dbraw/zinc/04/69/34/217046934.db2.gz GDYMNHVGBNEXPA-KRWDZBQOSA-N 1 0 347.503 2.679 40 0 EFABRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000078516461 217066758 /nfs/dbraw/zinc/06/67/58/217066758.db2.gz BVGCNFGQCPKBDT-UHFFFAOYSA-N 1 0 346.862 2.701 40 0 EFABRO CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(C)cc(C)c2)c1 ZINC000078553406 217074568 /nfs/dbraw/zinc/07/45/68/217074568.db2.gz YLUOSUZVPUFJMU-UHFFFAOYSA-N 1 0 332.469 2.642 40 0 EFABRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000078602392 217083757 /nfs/dbraw/zinc/08/37/57/217083757.db2.gz OCMQEZBERSDDTP-UHFFFAOYSA-N 1 0 339.844 2.912 40 0 EFABRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2ncc[nH]2)CC1 ZINC000078997424 217169887 /nfs/dbraw/zinc/16/98/87/217169887.db2.gz LRQXSHGPTIFDLB-UHFFFAOYSA-N 1 0 344.484 2.545 40 0 EFABRO C[C@@H]([NH2+]C1(CNC(=O)c2ccccn2)CCOCC1)c1ccccc1 ZINC000079096383 217191972 /nfs/dbraw/zinc/19/19/72/217191972.db2.gz AZFVICWMUCJMPM-MRXNPFEDSA-N 1 0 339.439 2.711 40 0 EFABRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000079354936 217213497 /nfs/dbraw/zinc/21/34/97/217213497.db2.gz PHMPVLISRQPOGY-CQSZACIVSA-N 1 0 344.377 2.726 40 0 EFABRO CC(C)[N@H+](CCN)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391839 217219269 /nfs/dbraw/zinc/21/92/69/217219269.db2.gz OXCIFJVZKXXPSL-SFHVURJKSA-N 1 0 333.476 2.704 40 0 EFABRO CC(C)[N@H+](CCN)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391847 217219452 /nfs/dbraw/zinc/21/94/52/217219452.db2.gz CMOGGQYLBFWIAU-UHFFFAOYSA-N 1 0 333.476 2.893 40 0 EFABRO O=C(N[C@H]1CCCC[C@H]1[N@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390939 217217771 /nfs/dbraw/zinc/21/77/71/217217771.db2.gz NZZLMXNIPUTZKV-ZWKOTPCHSA-N 1 0 332.444 2.681 40 0 EFABRO CCN(C(=O)[C@@H]([NH3+])C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391446 217218701 /nfs/dbraw/zinc/21/87/01/217218701.db2.gz YFYHYUKXLLZXMH-NRXISQOPSA-N 1 0 341.496 2.654 40 0 EFABRO CC(C)N(C[C@H]1CCCC[N@@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411170 217222405 /nfs/dbraw/zinc/22/24/05/217222405.db2.gz GAVLVXZZRTYWJM-GOSISDBHSA-N 1 0 334.460 2.880 40 0 EFABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079410213 217222422 /nfs/dbraw/zinc/22/24/22/217222422.db2.gz MEELSOBURCLVDH-ZNMIVQPWSA-N 1 0 341.496 2.654 40 0 EFABRO C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000079778797 217254128 /nfs/dbraw/zinc/25/41/28/217254128.db2.gz VAFDTSLKQUGORT-ZBFHGGJFSA-N 1 0 327.432 2.595 40 0 EFABRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000080079027 217277165 /nfs/dbraw/zinc/27/71/65/217277165.db2.gz TZRBKCWCHCMADT-HNNXBMFYSA-N 1 0 337.533 2.932 40 0 EFABRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)COCO2 ZINC000081021954 217351245 /nfs/dbraw/zinc/35/12/45/217351245.db2.gz POVDBHDTBWFICP-UHFFFAOYSA-N 1 0 340.423 2.757 40 0 EFABRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000081331184 217384032 /nfs/dbraw/zinc/38/40/32/217384032.db2.gz TVVJZRFYVJKAJV-GFCCVEGCSA-N 1 0 342.281 2.592 40 0 EFABRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N(C)C ZINC000078046884 296231628 /nfs/dbraw/zinc/23/16/28/296231628.db2.gz NMLGGAGOHLYIFH-AWEZNQCLSA-N 1 0 347.484 2.593 40 0 EFABRO CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1OC ZINC000012481043 211391845 /nfs/dbraw/zinc/39/18/45/211391845.db2.gz RJXDVOIIBCXFSL-MQVJKMGUSA-N 1 0 333.501 2.675 40 0 EFABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012362979 211355629 /nfs/dbraw/zinc/35/56/29/211355629.db2.gz IIUQSJOMJXKGPT-GOSISDBHSA-N 1 0 346.471 2.821 40 0 EFABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)C3CCCCC3)CC2)cc1 ZINC000012326349 211348642 /nfs/dbraw/zinc/34/86/42/211348642.db2.gz YFTNENZQPYKHDW-UHFFFAOYSA-N 1 0 344.499 2.975 40 0 EFABRO CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCC[NH2+]C1 ZINC000012275187 211331669 /nfs/dbraw/zinc/33/16/69/211331669.db2.gz QOUWYSXHSREQHH-SFHVURJKSA-N 1 0 332.375 2.956 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1Cc1c(C)noc1C ZINC000012191764 211315188 /nfs/dbraw/zinc/31/51/88/211315188.db2.gz VUYJQZQKBOXBLB-INIZCTEOSA-N 1 0 330.428 2.705 40 0 EFABRO C=Cn1cc(C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)c(C)n1 ZINC000012188184 211313217 /nfs/dbraw/zinc/31/32/17/211313217.db2.gz VIKNNJIIBOFASB-UHFFFAOYSA-N 1 0 341.411 2.504 40 0 EFABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCC[NH2+]C1 ZINC000012157409 211310007 /nfs/dbraw/zinc/31/00/07/211310007.db2.gz KFDMFMOYJPEUJG-DNVCBOLYSA-N 1 0 330.428 2.811 40 0 EFABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCC[NH2+]C1 ZINC000012157428 211309031 /nfs/dbraw/zinc/30/90/31/211309031.db2.gz HQJWIOJBPGSGDN-VQIMIIECSA-N 1 0 330.428 2.811 40 0 EFABRO C[C@@H](C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012220720 211322691 /nfs/dbraw/zinc/32/26/91/211322691.db2.gz PTNBHISUDWAWEG-AWEZNQCLSA-N 1 0 347.422 2.801 40 0 EFABRO c1ccc(-c2cc(C[NH2+]CCCc3ccccn3)c3nnnn3c2)cc1 ZINC000012132107 211301225 /nfs/dbraw/zinc/30/12/25/211301225.db2.gz URRONPJIWRWFFF-UHFFFAOYSA-N 1 0 344.422 2.909 40 0 EFABRO COc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1 ZINC000012121951 211298948 /nfs/dbraw/zinc/29/89/48/211298948.db2.gz KYCPKUGXZXVCQM-UHFFFAOYSA-N 1 0 348.406 2.811 40 0 EFABRO CCn1ncc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012119260 211297527 /nfs/dbraw/zinc/29/75/27/211297527.db2.gz NURMJZRHQQXONJ-INIZCTEOSA-N 1 0 340.427 2.956 40 0 EFABRO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)N1CCCCC1 ZINC000012113971 211293414 /nfs/dbraw/zinc/29/34/14/211293414.db2.gz FKLYTBJEZYAMJJ-UHFFFAOYSA-N 1 0 330.428 2.607 40 0 EFABRO CCCc1cc(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)[nH]n1 ZINC000012147361 211307662 /nfs/dbraw/zinc/30/76/62/211307662.db2.gz FMXXOQIFPXSAHD-UHFFFAOYSA-N 1 0 344.434 2.896 40 0 EFABRO CCc1[nH]nc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000012147298 211307752 /nfs/dbraw/zinc/30/77/52/211307752.db2.gz NURCLULIPBMRDN-QGZVFWFLSA-N 1 0 344.434 2.987 40 0 EFABRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCOCC[C@@H]2C)c1 ZINC000091606992 218031629 /nfs/dbraw/zinc/03/16/29/218031629.db2.gz LFGIHMPANXWZGH-INIZCTEOSA-N 1 0 333.476 2.849 40 0 EFABRO CC[NH+](CC)C[C@H]1Cn2ccnc2CN(C(=O)c2cccs2)C1 ZINC000096188293 284735291 /nfs/dbraw/zinc/73/52/91/284735291.db2.gz WWOPOIVPFXRLFX-AWEZNQCLSA-N 1 0 332.473 2.559 40 0 EFABRO C[C@H]1CCc2onc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2C1 ZINC000009227106 211055399 /nfs/dbraw/zinc/05/53/99/211055399.db2.gz PCMJQWQLPGJZJJ-AWEZNQCLSA-N 1 0 331.460 2.890 40 0 EFABRO O=C(Nc1nnc(CC[NH+]2CCCCC2)s1)c1ccc(F)cc1 ZINC000095116125 218281274 /nfs/dbraw/zinc/28/12/74/218281274.db2.gz FJIRBZDKHSEDFP-UHFFFAOYSA-N 1 0 334.420 2.958 40 0 EFABRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC1(CO)CCCC1 ZINC000095416122 218354769 /nfs/dbraw/zinc/35/47/69/218354769.db2.gz KMSZOKWMQNOQEX-SFHVURJKSA-N 1 0 345.487 2.503 40 0 EFABRO Cc1ccc(C2(C[NH2+]Cc3cc(C(N)=O)cs3)CCOCC2)cc1 ZINC000095427538 218370411 /nfs/dbraw/zinc/37/04/11/218370411.db2.gz NBDDEXJHNATWLJ-UHFFFAOYSA-N 1 0 344.480 2.993 40 0 EFABRO Cc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1C1CC[NH2+]CC1 ZINC000095427985 218370470 /nfs/dbraw/zinc/37/04/70/218370470.db2.gz NUMJDJONCPNTOP-UHFFFAOYSA-N 1 0 327.432 2.887 40 0 EFABRO C[C@H](NCc1c(Cl)cccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000095423466 218365762 /nfs/dbraw/zinc/36/57/62/218365762.db2.gz LGZNRORHJPWERO-AWEZNQCLSA-N 1 0 345.878 2.733 40 0 EFABRO C[C@H](C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCSCC1 ZINC000095435614 218377716 /nfs/dbraw/zinc/37/77/16/218377716.db2.gz CKAAUSZZOWAVHS-RYRKJORJSA-N 1 0 348.512 2.708 40 0 EFABRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnc(-n3ccnc3)c1)CC2 ZINC000095435741 218378451 /nfs/dbraw/zinc/37/84/51/218378451.db2.gz WNXFHCICRMQOFD-SFHVURJKSA-N 1 0 334.423 2.923 40 0 EFABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096050619 218540113 /nfs/dbraw/zinc/54/01/13/218540113.db2.gz PBBCMYNAENGKCG-SFHVURJKSA-N 1 0 345.443 2.907 40 0 EFABRO COCCC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071054 218569081 /nfs/dbraw/zinc/56/90/81/218569081.db2.gz OUOPVPNNLITTLM-GOSISDBHSA-N 1 0 336.863 2.943 40 0 EFABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](C1CCOCC1)CC2 ZINC000096158436 218633230 /nfs/dbraw/zinc/63/32/30/218633230.db2.gz BTMUWYVOFRTRLL-UHFFFAOYSA-N 1 0 349.500 2.640 40 0 EFABRO O=C(C[C@H]([NH2+]CCO)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005775105 210533264 /nfs/dbraw/zinc/53/32/64/210533264.db2.gz UCJCOMYBUSQUJU-KRWDZBQOSA-N 1 0 337.375 2.689 40 0 EFABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000096436662 218816372 /nfs/dbraw/zinc/81/63/72/218816372.db2.gz AEUYFSJWEHSCDP-KRWDZBQOSA-N 1 0 334.464 2.799 40 0 EFABRO O=C(NCC[S@@](=O)c1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452089 218835115 /nfs/dbraw/zinc/83/51/15/218835115.db2.gz VMNNAMKUSSWFAV-GYCJOSAFSA-N 1 0 348.512 2.565 40 0 EFABRO Brc1ccc(CN2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000096474730 218852553 /nfs/dbraw/zinc/85/25/53/218852553.db2.gz NPHYLYPLBCXMDW-INIZCTEOSA-N 1 0 339.277 2.792 40 0 EFABRO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000096493367 218870996 /nfs/dbraw/zinc/87/09/96/218870996.db2.gz ZSYAWSRWXIEWQU-SXLOBPIMSA-N 1 0 342.483 2.961 40 0 EFABRO CCOc1cccc(CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000097234384 219001883 /nfs/dbraw/zinc/00/18/83/219001883.db2.gz GMNGTXJUZDIFNE-PKOBYXMFSA-N 1 0 345.487 2.754 40 0 EFABRO O=C1[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1c1ccccc1 ZINC000097237670 219002986 /nfs/dbraw/zinc/00/29/86/219002986.db2.gz MGVJEMKNJSXFOY-INIZCTEOSA-N 1 0 342.468 2.507 40 0 EFABRO COCCOC1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000097371369 219016402 /nfs/dbraw/zinc/01/64/02/219016402.db2.gz OIASBVMCTILAGL-UHFFFAOYSA-N 1 0 325.836 2.902 40 0 EFABRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000097375041 219017996 /nfs/dbraw/zinc/01/79/96/219017996.db2.gz MZEKEGCEEXRPMX-OGWHTMIXSA-N 1 0 349.496 2.607 40 0 EFABRO COCC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468066 285171853 /nfs/dbraw/zinc/17/18/53/285171853.db2.gz WTUVWZFRZWPYCB-BBRMVZONSA-N 1 0 345.892 2.832 40 0 EFABRO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1c(F)cccc1Cl ZINC000187267173 533164769 /nfs/dbraw/zinc/16/47/69/533164769.db2.gz IFUKSZMVNKRJKS-GFCCVEGCSA-N 1 0 343.830 2.562 40 0 EFABRO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032894 258002547 /nfs/dbraw/zinc/00/25/47/258002547.db2.gz UAFWRUVIBPKRQZ-LPHOPBHVSA-N 1 0 340.471 2.828 40 0 EFABRO O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1 ZINC000041689898 285358110 /nfs/dbraw/zinc/35/81/10/285358110.db2.gz OYRZXPDAQHHEPN-NRFBVMONSA-N 1 0 337.504 2.835 40 0 EFABRO S=C1NC2(CC[NH+](Cc3ccccc3)CC2)NN1c1ccccc1 ZINC000225349892 285409714 /nfs/dbraw/zinc/40/97/14/285409714.db2.gz GJXHGRRYFSDSKR-UHFFFAOYSA-N 1 0 338.480 2.878 40 0 EFABRO COc1cccc(N2CC[C@H](C[NH2+]Cc3c(Cl)cnn3C)C2)c1 ZINC000131083112 533584948 /nfs/dbraw/zinc/58/49/48/533584948.db2.gz YUPMCIMAWJMVGG-CYBMUJFWSA-N 1 0 334.851 2.698 40 0 EFABRO C[C@@H]1CCCN(c2ccnc3cc(Br)cnc32)[C@@H]1C[NH3+] ZINC000135530578 287361159 /nfs/dbraw/zinc/36/11/59/287361159.db2.gz IKXUHGKTMLNPDL-QMTHXVAHSA-N 1 0 335.249 2.956 40 0 EFABRO C[N@H+](Cc1csc2ccccc12)C1CCN(S(C)(=O)=O)CC1 ZINC000121310579 221812413 /nfs/dbraw/zinc/81/24/13/221812413.db2.gz NAWAXAVVUYYQIJ-UHFFFAOYSA-N 1 0 338.498 2.757 40 0 EFABRO CC[NH+](CC)CCN1C(=O)c2cccc3cc(OC)cc(c32)C1=O ZINC000005520731 544421563 /nfs/dbraw/zinc/42/15/63/544421563.db2.gz DYHQQWXATKIWCM-UHFFFAOYSA-N 1 0 326.396 2.786 40 0 EFABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000012602181 544425501 /nfs/dbraw/zinc/42/55/01/544425501.db2.gz KDUCIYBYIDUYTH-KCQAQPDRSA-N 1 0 342.892 2.739 40 0 biogenic,in-vitro EFABRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234789 272998764 /nfs/dbraw/zinc/99/87/64/272998764.db2.gz DSKPNXWXOUYROV-QEJZJMRPSA-N 1 0 349.479 2.799 40 0 EFABRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234782 272998789 /nfs/dbraw/zinc/99/87/89/272998789.db2.gz YTRFPJBQKVLZHG-BJJXKVORSA-N 1 0 334.464 2.645 40 0 EFABRO CC(=O)N1CCCc2cc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)ccc21 ZINC000269060140 273489842 /nfs/dbraw/zinc/48/98/42/273489842.db2.gz VIKRTSLIUGLENZ-IBGZPJMESA-N 1 0 349.434 2.639 40 0 EFABRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000072347136 273872034 /nfs/dbraw/zinc/87/20/34/273872034.db2.gz CYZDNMDQYWUVSI-HNNXBMFYSA-N 1 0 326.396 2.998 40 0 EFABRO COc1cc2c(cc1C[N@@H+]1CC[C@](O)(c3ccccc3)C1)OCCO2 ZINC000019550536 274101473 /nfs/dbraw/zinc/10/14/73/274101473.db2.gz MUQZUFMQENGHER-HXUWFJFHSA-N 1 0 341.407 2.560 40 0 EFABRO CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1OCC ZINC000286739581 274263099 /nfs/dbraw/zinc/26/30/99/274263099.db2.gz CCRFGCCFSJLSKH-KRWDZBQOSA-N 1 0 346.471 2.928 40 0 EFABRO Cn1cc(C[NH2+]C[C@H]2COCc3nc4cccnc4n32)c2ccccc21 ZINC000096112797 274892143 /nfs/dbraw/zinc/89/21/43/274892143.db2.gz WXIAPJJMEXNDDA-HNNXBMFYSA-N 1 0 347.422 2.784 40 0 biogenic,in-vitro EFABRO Cn1ccnc1CC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192007047 274896972 /nfs/dbraw/zinc/89/69/72/274896972.db2.gz GOQWGOBXIURQQO-SFHVURJKSA-N 1 0 338.455 2.628 40 0 EFABRO O=C(c1cscn1)N1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096158118 275015805 /nfs/dbraw/zinc/01/58/05/275015805.db2.gz IVBPQFASJMTRLC-GOSISDBHSA-N 1 0 342.468 2.666 40 0 EFABRO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000192187827 275025072 /nfs/dbraw/zinc/02/50/72/275025072.db2.gz UETIZNIZIGIURD-SFHVURJKSA-N 1 0 336.439 2.547 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000076472128 276194455 /nfs/dbraw/zinc/19/44/55/276194455.db2.gz WEMFGYJMXZCRSH-AZUAARDMSA-N 1 0 343.515 2.666 40 0 EFABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000108524200 276755721 /nfs/dbraw/zinc/75/57/21/276755721.db2.gz CPUYFKBQRFBULB-IRXDYDNUSA-N 1 0 335.492 2.628 40 0 EFABRO CNC(=O)[C@]1(CCCc2ccncc2)CCC[N@@H+]1Cc1ccccn1 ZINC000072367251 277255476 /nfs/dbraw/zinc/25/54/76/277255476.db2.gz ZNLBHXIBBRQIAV-FQEVSTJZSA-N 1 0 338.455 2.580 40 0 EFABRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000252585713 277644480 /nfs/dbraw/zinc/64/44/80/277644480.db2.gz KLVIAGOJILPPTJ-DJIMGWMZSA-N 1 0 325.474 2.704 40 0 EFABRO CC(=O)N1CC[N@H+](CCCOCC(F)(F)F)CC12CCCCC2 ZINC000253418327 278040872 /nfs/dbraw/zinc/04/08/72/278040872.db2.gz JABICXBEXLLGHF-UHFFFAOYSA-N 1 0 336.398 2.822 40 0 EFABRO COc1ccccc1CN1Cc2ccnn2[C@H](C[NH+]2CCCC2)C1 ZINC000248145022 278049796 /nfs/dbraw/zinc/04/97/96/278049796.db2.gz RXPBJZZBXURYQN-GOSISDBHSA-N 1 0 326.444 2.544 40 0 EFABRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000249181203 278115453 /nfs/dbraw/zinc/11/54/53/278115453.db2.gz IEQNZQBPNXCQNX-OFQRWUPVSA-N 1 0 327.421 2.595 40 0 EFABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000022927601 278443919 /nfs/dbraw/zinc/44/39/19/278443919.db2.gz UPAMDOYRFUOKHL-SWLSCSKDSA-N 1 0 339.867 2.939 40 0 EFABRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c(=O)[nH]1 ZINC000257247926 280593851 /nfs/dbraw/zinc/59/38/51/280593851.db2.gz JBEQCDTYISIFFA-QGZVFWFLSA-N 1 0 325.412 2.697 40 0 EFABRO Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096081457 281192381 /nfs/dbraw/zinc/19/23/81/281192381.db2.gz SWRGANKUIZRHKE-VQTJNVASSA-N 1 0 335.451 2.984 40 0 EFABRO COc1ccc2c3c1OC1=C[C@@H](C(C)(C)O)C=C4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000096316430 295278383 /nfs/dbraw/zinc/27/83/83/295278383.db2.gz JSOHAHOCGKYFFC-QDUSTFBWSA-N 1 0 339.435 2.797 40 0 biogenic,in-vitro EFABRO O=C(Cn1c([C@@H]2CCC[NH2+]C2)cc2cccnc21)N1CCCCCC1 ZINC000019347070 295560615 /nfs/dbraw/zinc/56/06/15/295560615.db2.gz DFVFBWYJEPZZSA-QGZVFWFLSA-N 1 0 340.471 2.906 40 0 EFABRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCCn2ncnc21 ZINC000248917075 298878799 /nfs/dbraw/zinc/87/87/99/298878799.db2.gz DHSQHJAZLQFJIM-ILXRZTDVSA-N 1 0 349.479 2.881 40 0 EFABRO Cc1cc(C)nc(N2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)n1 ZINC000257264411 301262615 /nfs/dbraw/zinc/26/26/15/301262615.db2.gz LUGQEIRCQQFKRU-INIZCTEOSA-N 1 0 326.448 2.595 40 0 EFABRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085787228 302149863 /nfs/dbraw/zinc/14/98/63/302149863.db2.gz KQUQAUJKYOFORL-WMZOPIPTSA-N 1 0 336.501 2.804 40 0 EFABRO Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223252947 302315202 /nfs/dbraw/zinc/31/52/02/302315202.db2.gz BWFULUAQLLIRFM-HUUCEWRRSA-N 1 0 346.525 2.986 40 0 EFABRO [NH3+]C1(CNC(=O)Nc2ccc3c(n2)CCC3)C2CC3CC(C2)CC1C3 ZINC000333315862 311598475 /nfs/dbraw/zinc/59/84/75/311598475.db2.gz MHOIVURHCISBNN-UHFFFAOYSA-N 1 0 340.471 2.845 40 0 EFABRO [NH3+][C@@H]1CCc2ncc(NC(=O)NC[C@@H]3CCCCC3(F)F)cc2C1 ZINC000333387053 311607710 /nfs/dbraw/zinc/60/77/10/311607710.db2.gz WWWZRRSJZXWMRB-QWHCGFSZSA-N 1 0 338.402 2.845 40 0 EFABRO O=C1CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@H]([C@@H]2CCCO2)N1 ZINC000529574787 316920461 /nfs/dbraw/zinc/92/04/61/316920461.db2.gz WUWNKTKBCDBFJW-GMXVVIOVSA-N 1 0 348.390 2.683 40 0 EFABRO O=C(CC[NH2+]C1CCN(c2nccs2)CC1)NC1CCCCC1 ZINC000097237286 323214202 /nfs/dbraw/zinc/21/42/02/323214202.db2.gz SIHGOAJDPYRUJR-UHFFFAOYSA-N 1 0 336.505 2.541 40 0 EFABRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)c1 ZINC000097375949 323214777 /nfs/dbraw/zinc/21/47/77/323214777.db2.gz IBEOEHAEOZGPQX-QGZVFWFLSA-N 1 0 333.476 2.583 40 0 EFABRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCN1CC(F)(F)F ZINC000127901961 323217755 /nfs/dbraw/zinc/21/77/55/323217755.db2.gz HAFHNRBMUJQACW-IVZWLZJFSA-N 1 0 332.288 2.860 40 0 EFABRO CSCc1cc(F)ccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130309119 323218415 /nfs/dbraw/zinc/21/84/15/323218415.db2.gz OVFWGDSOWMPLIJ-ZDUSSCGKSA-N 1 0 339.480 2.782 40 0 EFABRO Cc1cccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)n1 ZINC000183379501 323332737 /nfs/dbraw/zinc/33/27/37/323332737.db2.gz CDPQBXCMRPVZIG-HXUWFJFHSA-N 1 0 325.456 2.862 40 0 EFABRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)cnn1-c1cccc(Cl)c1 ZINC000183643170 323344794 /nfs/dbraw/zinc/34/47/94/323344794.db2.gz STFYZXZEHCRDEC-LLVKDONJSA-N 1 0 334.851 2.996 40 0 EFABRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2c3ccccc3-c3ccccc32)O1 ZINC000183925253 323351053 /nfs/dbraw/zinc/35/10/53/323351053.db2.gz KNURNTONXDISPG-KUHUBIRLSA-N 1 0 336.435 2.982 40 0 EFABRO C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000195573035 323530065 /nfs/dbraw/zinc/53/00/65/323530065.db2.gz RQLATJJWCVVRDF-IAGOWNOFSA-N 1 0 347.478 2.558 40 0 EFABRO COC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000081647419 473238512 /nfs/dbraw/zinc/23/85/12/473238512.db2.gz IZLZDGVKFWWMJM-ZOCIIQOWSA-N 1 0 342.439 2.660 40 0 EFABRO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096040437 473260916 /nfs/dbraw/zinc/26/09/16/473260916.db2.gz IDSAUYJZXLFONT-UYAOXDASSA-N 1 0 346.471 2.758 40 0 EFABRO c1cncc(OC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096039994 473260060 /nfs/dbraw/zinc/26/00/60/473260060.db2.gz HVRVWFYCULTIII-PMACEKPBSA-N 1 0 339.439 2.927 40 0 EFABRO c1cncc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039991 473260312 /nfs/dbraw/zinc/26/03/12/473260312.db2.gz TUKOXHNVZJMZNW-VQTJNVASSA-N 1 0 339.439 2.927 40 0 EFABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039146 473260480 /nfs/dbraw/zinc/26/04/80/473260480.db2.gz NUDSVTVLBMFOIE-OALUTQOASA-N 1 0 335.444 2.721 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096040438 473261048 /nfs/dbraw/zinc/26/10/48/473261048.db2.gz IDSAUYJZXLFONT-ICSRJNTNSA-N 1 0 346.471 2.758 40 0 EFABRO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@@H+](C2CCOCC2)C3)nc1 ZINC000096040442 473261304 /nfs/dbraw/zinc/26/13/04/473261304.db2.gz CAKIHSVVOFRMSV-HKUYNNGSSA-N 1 0 332.444 2.511 40 0 EFABRO Cc1ncsc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042481 473265677 /nfs/dbraw/zinc/26/56/77/473265677.db2.gz PTTQGZYSQZXAKR-NUJGCVRESA-N 1 0 345.468 2.795 40 0 EFABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096043506 473265199 /nfs/dbraw/zinc/26/51/99/473265199.db2.gz DPBLRXMWVMYGPF-KZNAEPCWSA-N 1 0 341.411 2.540 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042539 473265460 /nfs/dbraw/zinc/26/54/60/473265460.db2.gz RPNREUWDWCULEF-QRVBRYPASA-N 1 0 343.427 2.635 40 0 EFABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCCC3)C[C@@H]21 ZINC000096043512 473266005 /nfs/dbraw/zinc/26/60/05/473266005.db2.gz DQKVFECPBGTEMO-KZNAEPCWSA-N 1 0 329.444 2.690 40 0 EFABRO CN(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000096046382 473267183 /nfs/dbraw/zinc/26/71/83/473267183.db2.gz QFMBWSOYUZKTJQ-BHYGNILZSA-N 1 0 344.484 2.956 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)o1 ZINC000096047074 473269122 /nfs/dbraw/zinc/26/91/22/473269122.db2.gz CIKPKFPYRVMNCG-IBGZPJMESA-N 1 0 340.427 2.506 40 0 EFABRO Cn1cc(CN2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046973 473269204 /nfs/dbraw/zinc/26/92/04/473269204.db2.gz ZYLRBUYAAOTOQP-SFHVURJKSA-N 1 0 330.501 2.970 40 0 EFABRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096047422 473269385 /nfs/dbraw/zinc/26/93/85/473269385.db2.gz PMQWFVXLGHYRPF-KRWDZBQOSA-N 1 0 340.464 2.606 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)cn1 ZINC000096046995 473269488 /nfs/dbraw/zinc/26/94/88/473269488.db2.gz FNLKNYKIXFRNRR-SFHVURJKSA-N 1 0 344.484 2.610 40 0 EFABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047526 473269596 /nfs/dbraw/zinc/26/95/96/473269596.db2.gz MKTHOYTYHHMCNQ-HXUWFJFHSA-N 1 0 346.471 2.689 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3=O)CC2)o1 ZINC000096046899 473270059 /nfs/dbraw/zinc/27/00/59/473270059.db2.gz YCMOYEAVWZUKIX-UHFFFAOYSA-N 1 0 339.439 2.998 40 0 EFABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096048612 473270835 /nfs/dbraw/zinc/27/08/35/473270835.db2.gz LAYPXOUTCWGUNZ-IBGZPJMESA-N 1 0 325.412 2.689 40 0 EFABRO c1cncc(O[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096048285 473270973 /nfs/dbraw/zinc/27/09/73/473270973.db2.gz HQMFHDUGDMPZQL-OALUTQOASA-N 1 0 332.444 2.511 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000096048505 473270986 /nfs/dbraw/zinc/27/09/86/473270986.db2.gz QGHHWOWFABPJQQ-MAUKXSAKSA-N 1 0 346.406 2.753 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048560 473271575 /nfs/dbraw/zinc/27/15/75/473271575.db2.gz ZSUPZBRVNNTAMD-HKUYNNGSSA-N 1 0 327.428 2.888 40 0 EFABRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC000096048597 473272042 /nfs/dbraw/zinc/27/20/42/473272042.db2.gz MTCGWDNPIHAOMY-FUHWJXTLSA-N 1 0 344.484 2.798 40 0 EFABRO O=C1COC2(CC[NH+](Cc3ccco3)CC2)CN1c1ccsc1 ZINC000096049244 473273139 /nfs/dbraw/zinc/27/31/39/473273139.db2.gz KQOWKWHYYQSSMV-UHFFFAOYSA-N 1 0 332.425 2.739 40 0 EFABRO O=C1C[C@]2(CC[N@H+](Cc3ccccn3)C2)CN1c1cccc(F)c1 ZINC000096050729 473273342 /nfs/dbraw/zinc/27/33/42/473273342.db2.gz YRAZNFYEQXQQBX-IBGZPJMESA-N 1 0 325.387 2.850 40 0 EFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2nncs2)C3)o1 ZINC000096049669 473273508 /nfs/dbraw/zinc/27/35/08/473273508.db2.gz RMJUTJRHBSQBQP-QGZVFWFLSA-N 1 0 348.472 2.559 40 0 EFABRO COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050649 473273671 /nfs/dbraw/zinc/27/36/71/473273671.db2.gz YMMHPAJFEYUELG-FQEVSTJZSA-N 1 0 340.423 2.913 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3ccoc3)CC2)N1Cc1cccnc1 ZINC000096049374 473273777 /nfs/dbraw/zinc/27/37/77/473273777.db2.gz RUUTZJYCKCBTBW-UHFFFAOYSA-N 1 0 325.412 2.832 40 0 EFABRO O=C1CCC2(CC[NH+](Cc3cccnc3)CC2)N1Cc1ccncc1 ZINC000096049397 473274049 /nfs/dbraw/zinc/27/40/49/473274049.db2.gz XBYYPAVLPNNRFB-UHFFFAOYSA-N 1 0 336.439 2.634 40 0 EFABRO c1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096049628 473274421 /nfs/dbraw/zinc/27/44/21/473274421.db2.gz DVFAHDVHXIXTDY-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO Cc1ccc(C[N@@H+]2C[C@H](C(=O)NCC3CC3)C3(C2)CCOCC3)s1 ZINC000096052133 473275843 /nfs/dbraw/zinc/27/58/43/473275843.db2.gz OPVIFBSVMAENJW-QGZVFWFLSA-N 1 0 348.512 2.811 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096054037 473276780 /nfs/dbraw/zinc/27/67/80/473276780.db2.gz WBCUVVHJHZRSGA-ROUUACIJSA-N 1 0 325.412 2.667 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096053894 473276860 /nfs/dbraw/zinc/27/68/60/473276860.db2.gz SCLLUZLHCYEOKB-IYBDPMFKSA-N 1 0 328.387 2.931 40 0 EFABRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cn1 ZINC000096051146 473276976 /nfs/dbraw/zinc/27/69/76/473276976.db2.gz NZLOFNMMUHBNHB-KRWDZBQOSA-N 1 0 347.413 2.553 40 0 EFABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096051703 473277033 /nfs/dbraw/zinc/27/70/33/473277033.db2.gz FPMYFGMRUTVJOJ-SFHVURJKSA-N 1 0 338.455 2.595 40 0 EFABRO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054630 473279626 /nfs/dbraw/zinc/27/96/26/473279626.db2.gz AZDPAACSFPFGPV-RDJZCZTQSA-N 1 0 327.453 2.624 40 0 EFABRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)N1Cc1ccncc1 ZINC000096055682 473277970 /nfs/dbraw/zinc/27/79/70/473277970.db2.gz XMKOHBQNZFROIZ-ZWKOTPCHSA-N 1 0 325.387 2.596 40 0 EFABRO c1cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cs1 ZINC000096055031 473278329 /nfs/dbraw/zinc/27/83/29/473278329.db2.gz JHQVMIFJKJYNCS-QZTJIDSGSA-N 1 0 329.469 2.618 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)cc1 ZINC000096058191 473281906 /nfs/dbraw/zinc/28/19/06/473281906.db2.gz CSTCOCILUVJCSY-USXIJHARSA-N 1 0 329.400 2.739 40 0 EFABRO COc1ccc(C[NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)cc1 ZINC000096059749 473283383 /nfs/dbraw/zinc/28/33/83/473283383.db2.gz NSFYHFPPYYMRKT-SFHVURJKSA-N 1 0 327.428 2.705 40 0 EFABRO c1ccc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2ccncc2)cc1 ZINC000096061691 473284980 /nfs/dbraw/zinc/28/49/80/473284980.db2.gz VDOYIYNXMKQFAU-RTWAWAEBSA-N 1 0 337.467 2.599 40 0 EFABRO Cc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)o1 ZINC000096061749 473285079 /nfs/dbraw/zinc/28/50/79/473285079.db2.gz PLAURPPHVCQFGQ-PLMTUMEDSA-N 1 0 349.434 2.745 40 0 EFABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000096061398 473286103 /nfs/dbraw/zinc/28/61/03/473286103.db2.gz CDSHXGCBXBZDJI-QGZVFWFLSA-N 1 0 325.412 2.621 40 0 EFABRO CC[C@@H]1[N@H+](Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096063554 473286675 /nfs/dbraw/zinc/28/66/75/473286675.db2.gz NSUTYSMGCJYIJU-HKUYNNGSSA-N 1 0 332.444 2.727 40 0 EFABRO O=C(Nc1cccnc1)[C@H]1CO[C@H]2CC[N@H+](Cc3ccco3)C[C@H]2C1 ZINC000096066044 473288091 /nfs/dbraw/zinc/28/80/91/473288091.db2.gz SEJLQVPHZGDBML-RKVPGOIHSA-N 1 0 341.411 2.540 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)C(C)C)C3)C2)cc1F ZINC000096071108 473289180 /nfs/dbraw/zinc/28/91/80/473289180.db2.gz SVRVFKRTBACAQK-IBGZPJMESA-N 1 0 334.435 2.915 40 0 EFABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)N(C)C)C3)cc1 ZINC000096071593 473289510 /nfs/dbraw/zinc/28/95/10/473289510.db2.gz IKPKOMHGDZADFN-IBGZPJMESA-N 1 0 331.460 2.665 40 0 EFABRO COc1ccc(C[NH+]2CCC3(CN(C(=O)C(C)C)C3)CC2)cc1F ZINC000096070982 473289680 /nfs/dbraw/zinc/28/96/80/473289680.db2.gz GQCJHYXKGATKNJ-UHFFFAOYSA-N 1 0 334.435 2.915 40 0 EFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096077371 473290631 /nfs/dbraw/zinc/29/06/31/473290631.db2.gz VQKHZZIOMSNJEB-LJQANCHMSA-N 1 0 325.412 2.920 40 0 EFABRO O=C(c1ccncc1)N1CCC2(CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000096075373 473290738 /nfs/dbraw/zinc/29/07/38/473290738.db2.gz VMIUDQYEXWVZDD-UHFFFAOYSA-N 1 0 336.439 2.747 40 0 EFABRO Cc1cccc(CN2CCO[C@H]3C[N@H+](CC4CCCCC4)C[C@H]32)n1 ZINC000096081822 473292668 /nfs/dbraw/zinc/29/26/68/473292668.db2.gz OXQNEMQJPIHWOD-UXHICEINSA-N 1 0 329.488 2.855 40 0 EFABRO Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC000096092248 473293089 /nfs/dbraw/zinc/29/30/89/473293089.db2.gz PDKLIGNTGLOVQH-AQNXPRMDSA-N 1 0 342.483 2.606 40 0 EFABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000096098672 473294583 /nfs/dbraw/zinc/29/45/83/473294583.db2.gz HYXHWCXAQCOJPV-UHFFFAOYSA-N 1 0 345.491 2.552 40 0 EFABRO CC(C)n1nc(COCC[NH+](C)C)c2c1CN(Cc1ccco1)CC2 ZINC000096085017 473293775 /nfs/dbraw/zinc/29/37/75/473293775.db2.gz VTUWGVMETQEGNM-UHFFFAOYSA-N 1 0 346.475 2.694 40 0 EFABRO O=C(Cc1noc2ccccc12)N[C@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096088586 473293937 /nfs/dbraw/zinc/29/39/37/473293937.db2.gz URNPJSGRBOPNCA-FTRWYGJKSA-N 1 0 333.391 2.544 40 0 EFABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107860 473299857 /nfs/dbraw/zinc/29/98/57/473299857.db2.gz NSWVYLLMBBXMQU-DYVFJYSZSA-N 1 0 349.431 2.798 40 0 EFABRO O=C(c1cccnc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096100632 473296635 /nfs/dbraw/zinc/29/66/35/473296635.db2.gz PJELPJGNAAIYBB-HXUWFJFHSA-N 1 0 336.439 2.605 40 0 EFABRO Fc1cccnc1O[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096107035 473299430 /nfs/dbraw/zinc/29/94/30/473299430.db2.gz XUYYCTFITFVBTO-INIZCTEOSA-N 1 0 343.402 2.818 40 0 EFABRO C[NH+](C)C[C@]12COC[C@H]1CN(C(=O)c1cc3cc(Cl)ccc3o1)C2 ZINC000096108271 473301551 /nfs/dbraw/zinc/30/15/51/473301551.db2.gz RCLJXKDQGPLOIC-ACJLOTCBSA-N 1 0 348.830 2.736 40 0 EFABRO CO[C@H]1CCN(C(=O)c2cccs2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109497 473301899 /nfs/dbraw/zinc/30/18/99/473301899.db2.gz JEKZFWVYSLBXFK-XHSDSOJGSA-N 1 0 346.452 2.703 40 0 EFABRO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4cccnc4)CC[N@@H+]3C2)c1 ZINC000096110704 473303499 /nfs/dbraw/zinc/30/34/99/473303499.db2.gz JSBVORPPEWRCAE-PKOBYXMFSA-N 1 0 327.403 2.558 40 0 EFABRO CC(C)[NH+]1CCC2(CC[C@H](C(=O)NCCc3cccs3)O2)CC1 ZINC000096110008 473303901 /nfs/dbraw/zinc/30/39/01/473303901.db2.gz LXGOTDNQYMJDQU-MRXNPFEDSA-N 1 0 336.501 2.829 40 0 EFABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@H]2OC)cc1 ZINC000096110233 473304047 /nfs/dbraw/zinc/30/40/47/473304047.db2.gz FMQZHCPUZRIZHS-PKOBYXMFSA-N 1 0 329.444 2.508 40 0 EFABRO Cc1ccc2[nH]c(CO[C@H]3CN(C4CC[NH+](C)CC4)C[C@H]3F)nc2c1 ZINC000096112307 473305320 /nfs/dbraw/zinc/30/53/20/473305320.db2.gz SVTWCCXWCOOYGV-QAPCUYQASA-N 1 0 346.450 2.504 40 0 biogenic,in-vitro EFABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096159359 473319768 /nfs/dbraw/zinc/31/97/68/473319768.db2.gz ADRKXVDTJAUJFM-UHFFFAOYSA-N 1 0 332.492 2.671 40 0 EFABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157493 473315835 /nfs/dbraw/zinc/31/58/35/473315835.db2.gz NWDPIDXXLMOEGG-UHFFFAOYSA-N 1 0 336.439 2.605 40 0 EFABRO Cn1ccnc1C[NH+]1CCC2(CCN(Cc3nccs3)CC2)CC1 ZINC000096158398 473317402 /nfs/dbraw/zinc/31/74/02/473317402.db2.gz IJWUQBKLTRVERW-UHFFFAOYSA-N 1 0 345.516 2.755 40 0 EFABRO O=C(Cc1cccc(F)c1)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096158656 473317508 /nfs/dbraw/zinc/31/75/08/473317508.db2.gz IIDBUWUCUWMTES-GOSISDBHSA-N 1 0 346.446 2.614 40 0 EFABRO O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096159509 473319206 /nfs/dbraw/zinc/31/92/06/473319206.db2.gz IHEFVGKIVMFGGT-LJQANCHMSA-N 1 0 325.387 2.850 40 0 EFABRO Cc1nnsc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000190570678 473322724 /nfs/dbraw/zinc/32/27/24/473322724.db2.gz DIHLJEOEXXUROC-UHFFFAOYSA-N 1 0 346.456 2.964 40 0 EFABRO O=C(c1ccco1)N1CC[N@@H+]2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000096183576 473324038 /nfs/dbraw/zinc/32/40/38/473324038.db2.gz PNWAFAOTSPDMQN-JKSUJKDBSA-N 1 0 344.386 2.534 40 0 EFABRO Cc1cc(C[N@@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)oc1C ZINC000096185054 473326800 /nfs/dbraw/zinc/32/68/00/473326800.db2.gz OPKLGAZBFWTYCW-OTWHNJEPSA-N 1 0 335.444 2.539 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2cncc(C)c2)o1 ZINC000096184689 473327599 /nfs/dbraw/zinc/32/75/99/473327599.db2.gz CEXGBJZOKRQOIY-ZWKOTPCHSA-N 1 0 325.412 2.780 40 0 EFABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)c1 ZINC000096186340 473328933 /nfs/dbraw/zinc/32/89/33/473328933.db2.gz CNNVNWLYMMRHCX-PMACEKPBSA-N 1 0 342.483 2.987 40 0 EFABRO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096187272 473329468 /nfs/dbraw/zinc/32/94/68/473329468.db2.gz GGQPCPCZUGWXGH-BRWVUGGUSA-N 1 0 346.452 2.779 40 0 EFABRO Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188383 473331343 /nfs/dbraw/zinc/33/13/43/473331343.db2.gz DQXYZHCBDAIIQF-OAHLLOKOSA-N 1 0 344.484 2.621 40 0 EFABRO O=c1ccc2c(n1Cc1cccnc1)CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000096196585 473333111 /nfs/dbraw/zinc/33/31/11/473333111.db2.gz HVEPHBDGBZPWJY-QGZVFWFLSA-N 1 0 335.407 2.532 40 0 EFABRO CC[NH+](CC)Cc1cnc2n1CCN(Cc1csc(C)n1)CC2 ZINC000096196826 473333248 /nfs/dbraw/zinc/33/32/48/473333248.db2.gz AVJDUFMRXDGGLD-UHFFFAOYSA-N 1 0 333.505 2.548 40 0 EFABRO COCCO[C@H]1CC[N@H+](Cc2c(C)noc2C)[C@H]1Cc1cccnc1 ZINC000096200509 473335063 /nfs/dbraw/zinc/33/50/63/473335063.db2.gz AWHQENOQHWHWKU-OALUTQOASA-N 1 0 345.443 2.535 40 0 EFABRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1cccs1)CC2 ZINC000096199533 473336318 /nfs/dbraw/zinc/33/63/18/473336318.db2.gz ASSFRCGHBXDTCR-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO O=C1C[C@H](c2ccncc2)C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096199898 473336390 /nfs/dbraw/zinc/33/63/90/473336390.db2.gz NMILXDFLCDDVAE-MRXNPFEDSA-N 1 0 327.453 2.781 40 0 EFABRO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccccc3F)C2)O1)C1CC1 ZINC000096207675 473343521 /nfs/dbraw/zinc/34/35/21/473343521.db2.gz LFNXJVPHERQYFN-FXAWDEMLSA-N 1 0 346.446 2.866 40 0 EFABRO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)c1 ZINC000096208064 473343578 /nfs/dbraw/zinc/34/35/78/473343578.db2.gz OVSJUBRZSQRPPB-DYVFJYSZSA-N 1 0 331.441 2.700 40 0 EFABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000096207739 473343598 /nfs/dbraw/zinc/34/35/98/473343598.db2.gz UXWTYZXMGHMDDS-LLYBFZRZSA-N 1 0 334.485 2.721 40 0 EFABRO COC[C@H]1C(=O)N(c2ccccc2)CC12CC[NH+](C1CCC1)CC2 ZINC000096206151 473340089 /nfs/dbraw/zinc/34/00/89/473340089.db2.gz RVBXTTGYEBZCAF-SFHVURJKSA-N 1 0 328.456 2.931 40 0 EFABRO CC(C)[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCCc3cccs3)OC[C@H]2C1 ZINC000096206466 473340119 /nfs/dbraw/zinc/34/01/19/473340119.db2.gz OCTAPIZKLXIKJI-DJIMGWMZSA-N 1 0 336.501 2.542 40 0 EFABRO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2 ZINC000096206777 473340443 /nfs/dbraw/zinc/34/04/43/473340443.db2.gz CDTOBHZCEGTWOH-IBGZPJMESA-N 1 0 329.488 2.937 40 0 EFABRO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096206231 473341214 /nfs/dbraw/zinc/34/12/14/473341214.db2.gz AAJQEBCHQCWKDK-SJLPKXTDSA-N 1 0 349.500 2.677 40 0 EFABRO Cc1ncsc1CN1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342567 /nfs/dbraw/zinc/34/25/67/473342567.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 1 0 349.525 2.846 40 0 EFABRO O=C(NC[C@H]1CCC[C@]2(CC[N@@H+](C3CCC3)C2)O1)c1ccccc1 ZINC000096207733 473342740 /nfs/dbraw/zinc/34/27/40/473342740.db2.gz RCZXUHXKNXGBEW-UYAOXDASSA-N 1 0 328.456 2.983 40 0 EFABRO C[N@@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccco1)CC2 ZINC000096208685 473344147 /nfs/dbraw/zinc/34/41/47/473344147.db2.gz DSLYXOICOTWLJV-QGZVFWFLSA-N 1 0 346.471 2.704 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3C)CC2)[N@@H+]1C ZINC000096209328 473344638 /nfs/dbraw/zinc/34/46/38/473344638.db2.gz GCHWBLVXCWILCE-MRXNPFEDSA-N 1 0 334.435 2.850 40 0 EFABRO COC[C@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@@H+]1C ZINC000096209511 473345648 /nfs/dbraw/zinc/34/56/48/473345648.db2.gz HHRWPTCXAVWTHU-LLYBFZRZSA-N 1 0 334.485 2.863 40 0 EFABRO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4cccs4)C[C@H]23)cn1 ZINC000096215925 473346444 /nfs/dbraw/zinc/34/64/44/473346444.db2.gz CDCXYJYIWOEZIK-BMGDILEWSA-N 1 0 330.453 2.977 40 0 EFABRO c1csc(CN2CCC[C@@]3(CC[N@@H+](CCN4CCCC4)C3)C2)n1 ZINC000096215841 473346706 /nfs/dbraw/zinc/34/67/06/473346706.db2.gz XTMMXPHGKUSDQE-SFHVURJKSA-N 1 0 334.533 2.527 40 0 EFABRO COc1ccccc1CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC000096215802 473346738 /nfs/dbraw/zinc/34/67/38/473346738.db2.gz VANLJYILYVNTSA-TZIWHRDSSA-N 1 0 344.499 2.876 40 0 EFABRO Cc1ccccc1C(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@H]2COCC1CC1 ZINC000096209872 473346903 /nfs/dbraw/zinc/34/69/03/473346903.db2.gz NIGSKMKLTQNAKK-GHTZIAJQSA-N 1 0 342.483 2.816 40 0 EFABRO Fc1ccccc1OC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000096216059 473347243 /nfs/dbraw/zinc/34/72/43/473347243.db2.gz ZTAPBZLVABAPAD-GPMSIDNRSA-N 1 0 328.387 2.747 40 0 EFABRO COc1cc(N2CCC[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)ncn1 ZINC000096216504 473349163 /nfs/dbraw/zinc/34/91/63/473349163.db2.gz ITCAQMSCZCLZRM-SFHVURJKSA-N 1 0 328.416 2.571 40 0 EFABRO c1cc(C[NH+]2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)co1 ZINC000096216679 473350453 /nfs/dbraw/zinc/35/04/53/473350453.db2.gz JMVPFIHNKUHRPJ-QGZVFWFLSA-N 1 0 343.427 2.767 40 0 EFABRO Cc1ccc(N2CCC[C@]3(CC[N@H+](CC4CCOCC4)C3)C2)nn1 ZINC000096217114 473350684 /nfs/dbraw/zinc/35/06/84/473350684.db2.gz WGMRRHXNMOMXSP-LJQANCHMSA-N 1 0 330.476 2.504 40 0 EFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)o1 ZINC000096219317 473352002 /nfs/dbraw/zinc/35/20/02/473352002.db2.gz DRDVBZPUDPTNFO-MOPGFXCFSA-N 1 0 328.412 2.933 40 0 EFABRO O=C(C[C@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12)Nc1cccnc1 ZINC000096218973 473352399 /nfs/dbraw/zinc/35/23/99/473352399.db2.gz BODVDXAFIMPQCW-IAOVAPTHSA-N 1 0 343.452 2.619 40 0 EFABRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000096221039 473353860 /nfs/dbraw/zinc/35/38/60/473353860.db2.gz LDEIXYRYWCSDGR-GOSISDBHSA-N 1 0 328.456 2.679 40 0 EFABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096221689 473354343 /nfs/dbraw/zinc/35/43/43/473354343.db2.gz CKPDRHQWNJNKTI-KRWDZBQOSA-N 1 0 343.427 2.889 40 0 EFABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096224436 473355383 /nfs/dbraw/zinc/35/53/83/473355383.db2.gz RBJUKRQIBOUTGU-IBGZPJMESA-N 1 0 325.412 2.689 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cn1 ZINC000096224592 473355572 /nfs/dbraw/zinc/35/55/72/473355572.db2.gz HXARIHXWTGTVPS-KRWDZBQOSA-N 1 0 330.457 2.501 40 0 EFABRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096224626 473355723 /nfs/dbraw/zinc/35/57/23/473355723.db2.gz XHKYNXVXRRAJFD-KRWDZBQOSA-N 1 0 330.457 2.501 40 0 EFABRO CCc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)cc1 ZINC000096225550 473358157 /nfs/dbraw/zinc/35/81/57/473358157.db2.gz CJXSGCBCYFGHSZ-FQEVSTJZSA-N 1 0 343.471 2.837 40 0 EFABRO c1cc(C[NH+]2CCC3(CC2)COCCN(c2ncccn2)C3)cs1 ZINC000096240004 473362953 /nfs/dbraw/zinc/36/29/53/473362953.db2.gz LTRDTWPMIPLBKJ-UHFFFAOYSA-N 1 0 344.484 2.657 40 0 EFABRO c1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096229056 473359420 /nfs/dbraw/zinc/35/94/20/473359420.db2.gz DHOJHVAMWYXOBG-FQEVSTJZSA-N 1 0 338.455 2.596 40 0 EFABRO O=C(Cc1ccccc1)N1CCC[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228809 473359501 /nfs/dbraw/zinc/35/95/01/473359501.db2.gz ZIVOKYVJXHCLKQ-OAQYLSRUSA-N 1 0 342.483 2.580 40 0 EFABRO Cn1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ccccc2)C3)cn1 ZINC000096228952 473359645 /nfs/dbraw/zinc/35/96/45/473359645.db2.gz PBWGHAASIGABRU-HXUWFJFHSA-N 1 0 340.471 2.539 40 0 EFABRO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)c1 ZINC000096229151 473359807 /nfs/dbraw/zinc/35/98/07/473359807.db2.gz RVUQQGHMZBXFND-SFHVURJKSA-N 1 0 344.484 2.657 40 0 EFABRO O=C(CC[C@@H]1CCOC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000177353509 473361252 /nfs/dbraw/zinc/36/12/52/473361252.db2.gz VSIAUWHIKMENTN-MRXNPFEDSA-N 1 0 340.533 2.671 40 0 EFABRO O=C1C[C@]2(CC[N@H+](Cc3ccncc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239055 473361246 /nfs/dbraw/zinc/36/12/46/473361246.db2.gz JSVIEJGIYMYALO-IBGZPJMESA-N 1 0 343.377 2.989 40 0 EFABRO FC1(F)CC[N@H+](Cc2cccnc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239719 473361777 /nfs/dbraw/zinc/36/17/77/473361777.db2.gz ZMDRTXUDNGAPPH-KRWDZBQOSA-N 1 0 345.397 2.609 40 0 EFABRO c1coc(C[NH+]2CCC3(CC2)COCCN(c2cccnc2)C3)c1 ZINC000096239970 473363144 /nfs/dbraw/zinc/36/31/44/473363144.db2.gz XVWJSLLYPPVQGO-UHFFFAOYSA-N 1 0 327.428 2.794 40 0 EFABRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000096246154 473365321 /nfs/dbraw/zinc/36/53/21/473365321.db2.gz GPSBAVNXHAVTFP-IPMKNSEASA-N 1 0 328.456 2.568 40 0 EFABRO COc1ccc(CN2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)cc1 ZINC000096255905 473366895 /nfs/dbraw/zinc/36/68/95/473366895.db2.gz PUWAZVZSUPCUBD-UHFFFAOYSA-N 1 0 340.471 2.583 40 0 EFABRO Cc1ccc(NC(=O)c2ccc3ccc(N4CC[NH+](C)CC4)n3c2)cn1 ZINC000096267346 473369466 /nfs/dbraw/zinc/36/94/66/473369466.db2.gz XGAMOLQNEVPPMH-UHFFFAOYSA-N 1 0 349.438 2.647 40 0 EFABRO Cc1cccnc1C[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096296295 473372548 /nfs/dbraw/zinc/37/25/48/473372548.db2.gz AUPSBMUKOZHDBA-KRWDZBQOSA-N 1 0 334.423 2.942 40 0 biogenic,in-vitro EFABRO Fc1ccc(OCC[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1F ZINC000096404596 473382065 /nfs/dbraw/zinc/38/20/65/473382065.db2.gz YLLNVORYDBNPAU-UHFFFAOYSA-N 1 0 330.338 2.919 40 0 EFABRO C[N@@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000096407769 473385011 /nfs/dbraw/zinc/38/50/11/473385011.db2.gz BYIXRQLBLJJBJR-CQSZACIVSA-N 1 0 340.345 2.972 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000096407623 473385433 /nfs/dbraw/zinc/38/54/33/473385433.db2.gz QHPXNKXRGHIMAE-KRCKVYFQSA-N 1 0 336.439 2.517 40 0 EFABRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCSCC2)CC1 ZINC000096407821 473385692 /nfs/dbraw/zinc/38/56/92/473385692.db2.gz DPSAJCZRIYADQL-OAHLLOKOSA-N 1 0 333.501 2.970 40 0 EFABRO C[N@@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1 ZINC000000004265 471317897 /nfs/dbraw/zinc/31/78/97/471317897.db2.gz LPLNSPKKMWHFAU-ZDUSSCGKSA-N 1 0 336.395 2.654 40 0 investigational EFABRO COc1ccc(C(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000000300559 471344907 /nfs/dbraw/zinc/34/49/07/471344907.db2.gz ZWUFFHHUFFLOMC-BPQIPLTHSA-N 1 0 326.440 2.665 40 0 EFABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(C)c1 ZINC000000307215 471345598 /nfs/dbraw/zinc/34/55/98/471345598.db2.gz UIAXCPGPZMQWRW-INIZCTEOSA-N 1 0 325.432 2.777 40 0 EFABRO CC[C@H](CO)[NH2+]C[C@@H](O)Cn1c2ccc(C)cc2c2c1CCCC2 ZINC000000571472 471371118 /nfs/dbraw/zinc/37/11/18/471371118.db2.gz SQXKNNSAQFRJHY-HZPDHXFCSA-N 1 0 330.472 2.550 40 0 EFABRO COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CC[N@H+]2C)cc1O ZINC000000901258 471377673 /nfs/dbraw/zinc/37/76/73/471377673.db2.gz BHLYRWXGMIUIHG-OAHLLOKOSA-N 1 0 329.396 2.887 40 0 in-vitro EFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cncc(Br)c1)C2 ZINC000000848769 471377834 /nfs/dbraw/zinc/37/78/34/471377834.db2.gz XZLKQWWMJLSYRM-FUNVUKJBSA-N 1 0 325.206 2.626 40 0 EFABRO C[NH+]1CCC(OC(=O)C2(O)c3ccccc3Oc3ccccc32)CC1 ZINC000001641836 471395365 /nfs/dbraw/zinc/39/53/65/471395365.db2.gz XWNYLOBIJMEALR-UHFFFAOYSA-N 1 0 339.391 2.666 40 0 EFABRO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002701402 471417477 /nfs/dbraw/zinc/41/74/77/471417477.db2.gz MBANWQYXUIBFPL-MRXNPFEDSA-N 1 0 349.471 2.643 40 0 EFABRO COc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1O ZINC000003847376 471455168 /nfs/dbraw/zinc/45/51/68/471455168.db2.gz PBARFBACJNHQIC-HNNXBMFYSA-N 1 0 329.396 2.848 40 0 in-vitro EFABRO C[NH+]1CCC2(CC1)C(=O)N(Nc1ccccc1)C(=O)[C@H]2c1ccccc1 ZINC000005179447 471488744 /nfs/dbraw/zinc/48/87/44/471488744.db2.gz GQAIJEWIJRRXHS-GOSISDBHSA-N 1 0 349.434 2.878 40 0 EFABRO c1ccc(C[NH2+][C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 ZINC000005397158 471503245 /nfs/dbraw/zinc/50/32/45/471503245.db2.gz QOYDVUIMZDXPKU-MTQWCTHYSA-N 1 0 325.408 2.528 40 0 biogenic,in-vitro EFABRO O=C(C[C@@H]([NH2+]CCO)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005774860 471520296 /nfs/dbraw/zinc/52/02/96/471520296.db2.gz UCJCOMYBUSQUJU-QGZVFWFLSA-N 1 0 337.375 2.689 40 0 EFABRO CC[C@@H](CO)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000006790341 471569829 /nfs/dbraw/zinc/56/98/29/471569829.db2.gz CCJAFJNCKBENAB-KBPBESRZSA-N 1 0 329.868 2.872 40 0 EFABRO Cc1cc(NC(=S)NCCC[NH+](C)C)ccc1Br ZINC000007065225 471590082 /nfs/dbraw/zinc/59/00/82/471590082.db2.gz FWTNYQQSKDTLSK-UHFFFAOYSA-N 1 0 330.295 2.996 40 0 EFABRO CCOc1cc(CNCCC[NH+](C)C)cc(Br)c1OC ZINC000008253589 471675108 /nfs/dbraw/zinc/67/51/08/471675108.db2.gz NIGVRCRBZNLRCH-UHFFFAOYSA-N 1 0 345.281 2.898 40 0 EFABRO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000012240006 471769379 /nfs/dbraw/zinc/76/93/79/471769379.db2.gz ILTQQPNQYFSKCY-ZDUSSCGKSA-N 1 0 344.484 2.626 40 0 EFABRO O[C@@H]1CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@@H]12 ZINC000013992524 471846386 /nfs/dbraw/zinc/84/63/86/471846386.db2.gz UYCRVAISBCXPHX-MRVWCRGKSA-N 1 0 348.834 2.910 40 0 EFABRO CC[NH+]1CCN(c2nc(-c3cccc4ccccc43)cc(=O)[nH]2)CC1 ZINC000014162222 471856537 /nfs/dbraw/zinc/85/65/37/471856537.db2.gz LRJWVTBOOZAKMF-UHFFFAOYSA-N 1 0 334.423 2.732 40 0 EFABRO CC(C)(C)OC(=O)N1CCC([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000015042392 471886384 /nfs/dbraw/zinc/88/63/84/471886384.db2.gz CUAGYUQQTGDPON-UHFFFAOYSA-N 1 0 346.475 2.603 40 0 EFABRO C[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000015731885 471915162 /nfs/dbraw/zinc/91/51/62/471915162.db2.gz ZJKLWJXUTJEECO-UHFFFAOYSA-N 1 0 326.425 2.660 40 0 EFABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCN1CCCC1=O ZINC000017310087 471961146 /nfs/dbraw/zinc/96/11/46/471961146.db2.gz HSRIXKMHCGFCAP-UHFFFAOYSA-N 1 0 344.434 2.730 40 0 EFABRO Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000019132443 471977590 /nfs/dbraw/zinc/97/75/90/471977590.db2.gz TUGMPZYHTMSJDK-LJQANCHMSA-N 1 0 325.456 2.944 40 0 EFABRO O=c1cc(-c2cccnc2)nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401704 471979409 /nfs/dbraw/zinc/97/94/09/471979409.db2.gz GTTRBJRRXJXZGM-INIZCTEOSA-N 1 0 347.422 2.607 40 0 EFABRO CC[N@H+](C)[C@H]1CN(C(=O)CCn2nc(C)nc2C)C2(C1)CCCCC2 ZINC000019703943 471982970 /nfs/dbraw/zinc/98/29/70/471982970.db2.gz XFNSIFGUEJAZPL-QGZVFWFLSA-N 1 0 347.507 2.541 40 0 EFABRO CCN(CC(=O)Nc1cc(C)on1)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019703910 471983320 /nfs/dbraw/zinc/98/33/20/471983320.db2.gz XDVXECDJDBRQGW-HNNXBMFYSA-N 1 0 334.464 2.650 40 0 EFABRO O[C@H](C[N@@H+]1CCCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000019656846 471983557 /nfs/dbraw/zinc/98/35/57/471983557.db2.gz ZELPTZHGNDWTRR-QGZVFWFLSA-N 1 0 331.847 2.981 40 0 EFABRO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[NH2+]1 ZINC000019696562 471983707 /nfs/dbraw/zinc/98/37/07/471983707.db2.gz RLAOAIKIEVUWNF-IBGZPJMESA-N 1 0 327.428 2.875 40 0 EFABRO COCCOc1cccc(C[N@@H+]2CC[C@@]3(C)NC(=O)CCCC[C@@H]23)c1 ZINC000019713385 471984856 /nfs/dbraw/zinc/98/48/56/471984856.db2.gz VMCIQTFECPTONR-UYAOXDASSA-N 1 0 346.471 2.735 40 0 EFABRO CCN1CCC[C@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022038302 472008791 /nfs/dbraw/zinc/00/87/91/472008791.db2.gz FZYGLXLTKSKKPV-CMKODMSKSA-N 1 0 332.488 2.515 40 0 EFABRO C[C@@H](O)C[NH2+]CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022075048 472009940 /nfs/dbraw/zinc/00/99/40/472009940.db2.gz JUGCGDQKPYLCRH-OAHLLOKOSA-N 1 0 348.874 2.979 40 0 EFABRO CCOCCCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000041623003 472074428 /nfs/dbraw/zinc/07/44/28/472074428.db2.gz OCMZXYVQUXRICT-UHFFFAOYSA-N 1 0 332.488 2.874 40 0 EFABRO Cc1cccc(C)c1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042646460 472154634 /nfs/dbraw/zinc/15/46/34/472154634.db2.gz UHXMFOLJFBADIB-UHFFFAOYSA-N 1 0 331.460 2.667 40 0 EFABRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nccs3)CC2)cc1 ZINC000042652292 472155980 /nfs/dbraw/zinc/15/59/80/472155980.db2.gz XPLGIGHMUMGANI-UHFFFAOYSA-N 1 0 346.456 2.892 40 0 EFABRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000027530300 472179869 /nfs/dbraw/zinc/17/98/69/472179869.db2.gz RAAQWHZPYFVJFK-YOEHRIQHSA-N 1 0 329.396 2.564 40 0 EFABRO CC[N@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000027754544 472193800 /nfs/dbraw/zinc/19/38/00/472193800.db2.gz LOMPITTUNWDTCD-QGZVFWFLSA-N 1 0 335.444 2.947 40 0 EFABRO Cc1ccc(C)c([C@@H](O)CN2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000075752422 472194643 /nfs/dbraw/zinc/19/46/43/472194643.db2.gz QDKMBIJEGYONPZ-FQEVSTJZSA-N 1 0 332.488 2.524 40 0 EFABRO O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000028226205 472218117 /nfs/dbraw/zinc/21/81/17/472218117.db2.gz YLWFLCUILPKKSW-HNNXBMFYSA-N 1 0 344.386 2.918 40 0 EFABRO Cc1nnc([C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)[nH]1 ZINC000085357183 472237710 /nfs/dbraw/zinc/23/77/10/472237710.db2.gz OYSFZLGLJNGLCF-HNNXBMFYSA-N 1 0 330.436 2.694 40 0 EFABRO COc1cccc(C[N@@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)c1 ZINC000085435945 472247588 /nfs/dbraw/zinc/24/75/88/472247588.db2.gz ZFBHVAWAWAZQFX-GOSISDBHSA-N 1 0 328.412 2.678 40 0 biogenic,in-vitro EFABRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000085456843 472249012 /nfs/dbraw/zinc/24/90/12/472249012.db2.gz CQYLRDKBAXXDPX-HLLBOEOZSA-N 1 0 348.512 2.882 40 0 EFABRO CN(C)c1cccc(C(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)c1 ZINC000085473203 472253017 /nfs/dbraw/zinc/25/30/17/472253017.db2.gz HGMGECGRIQHMBJ-GOSISDBHSA-N 1 0 347.528 2.796 40 0 EFABRO Cc1cc(C(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)no1 ZINC000043972338 472276871 /nfs/dbraw/zinc/27/68/71/472276871.db2.gz FPMOHSOCDSGRAK-UHFFFAOYSA-N 1 0 331.416 2.835 40 0 EFABRO O=C(COc1ccc(F)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029838151 472299233 /nfs/dbraw/zinc/29/92/33/472299233.db2.gz MCEMIGYVUWIHLO-UHFFFAOYSA-N 1 0 342.414 2.769 40 0 EFABRO Cc1csc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000088603676 472376843 /nfs/dbraw/zinc/37/68/43/472376843.db2.gz AGNXNZYZIQZUTI-UHFFFAOYSA-N 1 0 330.501 2.985 40 0 EFABRO O[C@H](CSc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000031666893 472387732 /nfs/dbraw/zinc/38/77/32/472387732.db2.gz XIMGRAOWKLUXAF-SFHVURJKSA-N 1 0 328.481 2.962 40 0 EFABRO CC1(C)CC(NC(=O)CCn2ncc3ccccc32)CC(C)(C)[NH2+]1 ZINC000057279568 472408523 /nfs/dbraw/zinc/40/85/23/472408523.db2.gz KEESEINCRHMGEE-UHFFFAOYSA-N 1 0 328.460 2.852 40 0 EFABRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC000032267878 472418949 /nfs/dbraw/zinc/41/89/49/472418949.db2.gz BZXNDSRPLPWUHM-MRXNPFEDSA-N 1 0 341.455 2.630 40 0 EFABRO Cc1ccc(F)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000032441188 472436462 /nfs/dbraw/zinc/43/64/62/472436462.db2.gz DIQJGOVLBDMMOU-KGLIPLIRSA-N 1 0 328.453 2.675 40 0 EFABRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc2cccnc21 ZINC000097104192 472449088 /nfs/dbraw/zinc/44/90/88/472449088.db2.gz KSPMWNBDRSHDPY-OAHLLOKOSA-N 1 0 347.484 2.529 40 0 EFABRO C[C@H](C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000097103879 472449213 /nfs/dbraw/zinc/44/92/13/472449213.db2.gz QSERULWIWIYMCK-QGZVFWFLSA-N 1 0 347.478 2.559 40 0 EFABRO C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1cnccn1 ZINC000089639623 472475045 /nfs/dbraw/zinc/47/50/45/472475045.db2.gz OVQPDIHAEGIWCW-CQSZACIVSA-N 1 0 331.464 2.634 40 0 EFABRO CC[C@@](C)([NH2+]Cc1cc(Br)cc2cccnc21)C(N)=O ZINC000097228050 472484250 /nfs/dbraw/zinc/48/42/50/472484250.db2.gz NLIYCUNNNMYZMU-OAHLLOKOSA-N 1 0 336.233 2.741 40 0 EFABRO Cc1ccc(F)cc1C[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000097233859 472484981 /nfs/dbraw/zinc/48/49/81/472484981.db2.gz ACHYPUSVZXDALG-HZPDHXFCSA-N 1 0 348.462 2.982 40 0 EFABRO C[C@@H](CCn1cccn1)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000097234101 472485101 /nfs/dbraw/zinc/48/51/01/472485101.db2.gz FWOBUNFKKJIXPO-LBPRGKRZSA-N 1 0 348.248 2.862 40 0 EFABRO Cc1ccc(F)cc1C[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000097233858 472485119 /nfs/dbraw/zinc/48/51/19/472485119.db2.gz ACHYPUSVZXDALG-IYBDPMFKSA-N 1 0 348.462 2.982 40 0 EFABRO Cc1ccccc1C[N@@H+]1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 ZINC000077266606 472490035 /nfs/dbraw/zinc/49/00/35/472490035.db2.gz PRTPVNBHPVHEIF-LJQANCHMSA-N 1 0 336.439 2.512 40 0 biogenic,in-vitro EFABRO COc1cc(CC[NH2+]C2CCN(c3nccs3)CC2)ccc1O ZINC000089728068 472493839 /nfs/dbraw/zinc/49/38/39/472493839.db2.gz NUHMGULBUHFFJN-UHFFFAOYSA-N 1 0 333.457 2.658 40 0 EFABRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000070172126 472494500 /nfs/dbraw/zinc/49/45/00/472494500.db2.gz KOUHVDGTOWGRRB-ZJUUUORDSA-N 1 0 329.213 2.788 40 0 EFABRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000070172125 472494569 /nfs/dbraw/zinc/49/45/69/472494569.db2.gz KOUHVDGTOWGRRB-UWVGGRQHSA-N 1 0 329.213 2.788 40 0 EFABRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377016 472494793 /nfs/dbraw/zinc/49/47/93/472494793.db2.gz ASTWQBIAIVDVTB-KRWDZBQOSA-N 1 0 339.487 2.870 40 0 EFABRO CC(=O)NC1CCC([NH2+]CC2(c3cccc(F)c3)CCOCC2)CC1 ZINC000097379301 472495346 /nfs/dbraw/zinc/49/53/46/472495346.db2.gz SETCBLYKNQODEU-UHFFFAOYSA-N 1 0 348.462 2.911 40 0 EFABRO CCc1ccc([C@H](CNC(=O)N2CCC(C)(CO)CC2)[NH+](C)C)cc1 ZINC000097377570 472495356 /nfs/dbraw/zinc/49/53/56/472495356.db2.gz ANPUDCVECKKSOK-SFHVURJKSA-N 1 0 347.503 2.656 40 0 EFABRO C/C=C1/C[N@H+]2CC[C@]34c5cccc(O)c5N=C3C(C(=O)OC)[C@H]1C[C@H]24 ZINC000058169438 472511850 /nfs/dbraw/zinc/51/18/50/472511850.db2.gz FAJVFJABOWWACZ-GGGKWMOSSA-N 1 0 338.407 2.537 40 0 biogenic EFABRO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cn2)n1 ZINC000155202702 472518934 /nfs/dbraw/zinc/51/89/34/472518934.db2.gz QUYVKMDOQLBDRO-UHFFFAOYSA-N 1 0 342.443 2.659 40 0 EFABRO Clc1ccc(CN2CCN(CCC[NH+]3CCCCC3)CC2)nc1 ZINC000119062217 472522637 /nfs/dbraw/zinc/52/26/37/472522637.db2.gz JZRRCPCYRNQNRK-UHFFFAOYSA-N 1 0 336.911 2.729 40 0 EFABRO COc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000077457133 472530452 /nfs/dbraw/zinc/53/04/52/472530452.db2.gz XGIJFSNXTLWGBM-NWDGAFQWSA-N 1 0 331.865 2.794 40 0 EFABRO CC(C)C[NH+]1CCC2(CC1)c1cc(C(=O)NC3CC3)ccc1NC2=O ZINC000101848905 472555063 /nfs/dbraw/zinc/55/50/63/472555063.db2.gz GCIMODQIUQFXGM-UHFFFAOYSA-N 1 0 341.455 2.521 40 0 EFABRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000130407590 472603539 /nfs/dbraw/zinc/60/35/39/472603539.db2.gz BZCDIQHWHFYPHN-ZWKOTPCHSA-N 1 0 344.480 2.802 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ccc(C3=[NH+]CCC3)cn2)CC1 ZINC000072216383 472634216 /nfs/dbraw/zinc/63/42/16/472634216.db2.gz XXDKFNLBOHHVSM-UHFFFAOYSA-N 1 0 330.432 2.722 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2C2=[NH+]CCC2)CC1 ZINC000072216443 472634363 /nfs/dbraw/zinc/63/43/63/472634363.db2.gz KYMSNFYNVCRAEQ-UHFFFAOYSA-N 1 0 330.432 2.722 40 0 EFABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1CNC(=O)OC(C)(C)C ZINC000072223702 472634690 /nfs/dbraw/zinc/63/46/90/472634690.db2.gz ZUEMMXKAUWWUAF-UHFFFAOYSA-N 1 0 348.491 2.945 40 0 EFABRO CC[C@@H]([NH3+])c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C ZINC000072224707 472634704 /nfs/dbraw/zinc/63/47/04/472634704.db2.gz NSESTFBJLVDLOI-OAHLLOKOSA-N 1 0 334.464 2.857 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCC[NH2+]2)CC1 ZINC000072216475 472634784 /nfs/dbraw/zinc/63/47/84/472634784.db2.gz JETVYJRZYKTTOY-MRXNPFEDSA-N 1 0 346.475 2.953 40 0 EFABRO CC[C@H]([NH3+])c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223661 472634854 /nfs/dbraw/zinc/63/48/54/472634854.db2.gz CMUMALXIMSXDBL-HNNXBMFYSA-N 1 0 334.464 2.857 40 0 EFABRO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000072216414 472635354 /nfs/dbraw/zinc/63/53/54/472635354.db2.gz RHGDMNWUXKDMCE-INIZCTEOSA-N 1 0 346.475 2.953 40 0 EFABRO CCOc1ccccc1NC(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090608924 472641900 /nfs/dbraw/zinc/64/19/00/472641900.db2.gz OPNLBDMMRVDLHD-AWEZNQCLSA-N 1 0 337.489 2.986 40 0 EFABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)CSCc1ccccc1 ZINC000090608890 472642419 /nfs/dbraw/zinc/64/24/19/472642419.db2.gz RFSSFCRZALDXMP-MRXNPFEDSA-N 1 0 338.542 2.816 40 0 EFABRO O=S(=O)(c1ccccc1)N1C[C@@H]2CCCC[N@H+](CC3CC3)[C@@H]2C1 ZINC000072330675 472660979 /nfs/dbraw/zinc/66/09/79/472660979.db2.gz NCPUYMUVACXBRQ-FUHWJXTLSA-N 1 0 334.485 2.572 40 0 EFABRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000090882484 472662860 /nfs/dbraw/zinc/66/28/60/472662860.db2.gz VJVYQEXGFZBXNZ-AWEZNQCLSA-N 1 0 347.484 2.656 40 0 EFABRO COc1ccc(-c2c(C)nn3c2nc(C)cc3NCC[NH+](C)C)cc1 ZINC000072341680 472663063 /nfs/dbraw/zinc/66/30/63/472663063.db2.gz ITELNDWXEOJBAR-UHFFFAOYSA-N 1 0 339.443 2.995 40 0 EFABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358867 472663726 /nfs/dbraw/zinc/66/37/26/472663726.db2.gz WUSMHNQPJGMGGG-HNNXBMFYSA-N 1 0 342.418 2.550 40 0 EFABRO C[C@](O)(C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000090909247 472664761 /nfs/dbraw/zinc/66/47/61/472664761.db2.gz NCYXVGBDYRZVDG-FQEVSTJZSA-N 1 0 343.446 2.682 40 0 EFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3ccccc3oc2=O)C1 ZINC000047416395 472706901 /nfs/dbraw/zinc/70/69/01/472706901.db2.gz MKMCLOQIGFZIBT-GASCZTMLSA-N 1 0 342.439 2.891 40 0 EFABRO C[NH+]1CCC2(CC1)c1cc(F)ccc1N(Cc1cccnc1)C2=O ZINC000105050117 472715555 /nfs/dbraw/zinc/71/55/55/472715555.db2.gz SZARHDYXFFLNDD-UHFFFAOYSA-N 1 0 325.387 2.731 40 0 EFABRO C[C@H]([NH2+]CCc1nc(-c2ccco2)n[nH]1)c1nc2ccccc2n1C ZINC000091374232 472761777 /nfs/dbraw/zinc/76/17/77/472761777.db2.gz JXMHWDIVBCNWOY-LBPRGKRZSA-N 1 0 336.399 2.845 40 0 EFABRO C[NH+](C)Cc1ccc(CNC(=O)/C=C/c2cccc(O)c2)cc1F ZINC000157020457 472776892 /nfs/dbraw/zinc/77/68/92/472776892.db2.gz BSDFFFUPPONFOY-VQHVLOKHSA-N 1 0 328.387 2.923 40 0 EFABRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)s1 ZINC000091630986 472787676 /nfs/dbraw/zinc/78/76/76/472787676.db2.gz BVBZBTLDOYSICK-LBPRGKRZSA-N 1 0 346.456 2.841 40 0 EFABRO O[C@H](C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000091630548 472787982 /nfs/dbraw/zinc/78/79/82/472787982.db2.gz YPNQCGZQYMBYRB-WMLDXEAASA-N 1 0 330.407 2.665 40 0 EFABRO C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000079041065 472809961 /nfs/dbraw/zinc/80/99/61/472809961.db2.gz JZKSVNRXORBCPQ-GJZGRUSLSA-N 1 0 333.432 2.595 40 0 EFABRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714410 472898349 /nfs/dbraw/zinc/89/83/49/472898349.db2.gz MRDYSRGTRDKAFA-XHDPSFHLSA-N 1 0 329.366 2.932 40 0 EFABRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714553 472898613 /nfs/dbraw/zinc/89/86/13/472898613.db2.gz MRDYSRGTRDKAFA-IAQYHMDHSA-N 1 0 329.366 2.932 40 0 EFABRO Cc1cccc(N2CC[C@H]3CO[C@H](C[N@@H+](C)Cc4ccco4)[C@H]3C2)n1 ZINC000107202747 472932400 /nfs/dbraw/zinc/93/24/00/472932400.db2.gz GPDUZBQUWIQLEX-YTQUADARSA-N 1 0 341.455 2.956 40 0 EFABRO O=C(NCc1cccs1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000107207901 472933452 /nfs/dbraw/zinc/93/34/52/472933452.db2.gz MPOGIQLFJUYPJC-BRWVUGGUSA-N 1 0 346.452 2.779 40 0 EFABRO OCc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1 ZINC000049169324 472934470 /nfs/dbraw/zinc/93/44/70/472934470.db2.gz CTNRYDWLBCERNI-AWEZNQCLSA-N 1 0 325.368 2.811 40 0 biogenic,in-vitro EFABRO O=C([C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2CC1CC1)N1CCCC1 ZINC000107274827 472937347 /nfs/dbraw/zinc/93/73/47/472937347.db2.gz AFQPIPVIRUXUAT-AZUAARDMSA-N 1 0 326.440 2.519 40 0 EFABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000134796682 472967951 /nfs/dbraw/zinc/96/79/51/472967951.db2.gz VJLVPKAVHYJZTB-SJWGOKEGSA-N 1 0 335.469 2.698 40 0 EFABRO O=S(=O)(/C=C/c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065551655 472974494 /nfs/dbraw/zinc/97/44/94/472974494.db2.gz USIVHXFVVUGNDZ-XUDAUXSOSA-N 1 0 342.464 2.851 40 0 EFABRO COc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731394 472980637 /nfs/dbraw/zinc/98/06/37/472980637.db2.gz ZSUPZBRVNNTAMD-MJGOQNOKSA-N 1 0 327.428 2.888 40 0 EFABRO O=C(c1cscn1)N1C[C@H]2C[N@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798346 472983314 /nfs/dbraw/zinc/98/33/14/472983314.db2.gz KCMRLOYMRIECIP-NVXWUHKLSA-N 1 0 327.453 2.532 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccccn1)C2)N1CC(F)(F)C1 ZINC000108532021 473035597 /nfs/dbraw/zinc/03/55/97/473035597.db2.gz IIYVTZWUOQAMRH-NVXWUHKLSA-N 1 0 335.398 2.551 40 0 EFABRO Cc1cccnc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532079 473035749 /nfs/dbraw/zinc/03/57/49/473035749.db2.gz LOQWFVZBCMTYCW-MAUKXSAKSA-N 1 0 349.425 2.860 40 0 EFABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000108528644 473036361 /nfs/dbraw/zinc/03/63/61/473036361.db2.gz LIOKTPLQXGBAPI-NVXWUHKLSA-N 1 0 335.398 2.551 40 0 EFABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000108532768 473036419 /nfs/dbraw/zinc/03/64/19/473036419.db2.gz NMTLJINGYAINJD-MRXNPFEDSA-N 1 0 349.450 2.611 40 0 EFABRO O=C(N[C@H]1CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108533658 473037928 /nfs/dbraw/zinc/03/79/28/473037928.db2.gz VEDYKHWZQXXSHQ-KRWDZBQOSA-N 1 0 346.446 2.866 40 0 EFABRO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000110604271 473164697 /nfs/dbraw/zinc/16/46/97/473164697.db2.gz MVYDGTGDJMURAC-KONPQCLYSA-N 1 0 337.508 2.611 40 0 EFABRO COc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000110618782 473166142 /nfs/dbraw/zinc/16/61/42/473166142.db2.gz SOOXHWNJAZNHBM-BHYGNILZSA-N 1 0 329.444 2.952 40 0 EFABRO C[C@H](O)[C@@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000093988910 473166602 /nfs/dbraw/zinc/16/66/02/473166602.db2.gz HEAMQJPTMYQEJN-QWHCGFSZSA-N 1 0 328.250 2.921 40 0 EFABRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCOC1 ZINC000110638938 473167306 /nfs/dbraw/zinc/16/73/06/473167306.db2.gz ZWFPFPABFVXBPP-OALUTQOASA-N 1 0 345.487 2.719 40 0 EFABRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCOC1 ZINC000110638932 473167927 /nfs/dbraw/zinc/16/79/27/473167927.db2.gz ZWFPFPABFVXBPP-MOPGFXCFSA-N 1 0 345.487 2.719 40 0 EFABRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000110661873 473169536 /nfs/dbraw/zinc/16/95/36/473169536.db2.gz MVKUORFKUHHYEP-GOEBONIOSA-N 1 0 342.395 2.665 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000110665325 473170177 /nfs/dbraw/zinc/17/01/77/473170177.db2.gz YCUIMVLIRQESNB-WMLDXEAASA-N 1 0 327.403 2.861 40 0 EFABRO CCCCS[C@@H](C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096412694 473392236 /nfs/dbraw/zinc/39/22/36/473392236.db2.gz HVKHWXPFNAUADR-LSDHHAIUSA-N 1 0 328.522 2.525 40 0 EFABRO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414889 473394108 /nfs/dbraw/zinc/39/41/08/473394108.db2.gz GBWPDXUUCNYZKI-NVXWUHKLSA-N 1 0 339.439 2.584 40 0 EFABRO CCOC(=O)[C@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096415088 473394563 /nfs/dbraw/zinc/39/45/63/473394563.db2.gz DMXSSDOEXPGJKR-HNNXBMFYSA-N 1 0 333.476 2.828 40 0 EFABRO Cc1noc(C)c1CNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000096416038 473395390 /nfs/dbraw/zinc/39/53/90/473395390.db2.gz XBVQWXRQDITNRT-UHFFFAOYSA-N 1 0 346.431 2.862 40 0 EFABRO Cn1cc([C@@H]2C[C@H]2C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000096416795 473396072 /nfs/dbraw/zinc/39/60/72/473396072.db2.gz FBQPFBLCORLHIN-RBUKOAKNSA-N 1 0 338.455 2.653 40 0 EFABRO C[N@H+](CC(=O)NCc1cccnc1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000096417449 473397340 /nfs/dbraw/zinc/39/73/40/473397340.db2.gz ZOPSQZLLISJQNH-IBGZPJMESA-N 1 0 327.403 2.920 40 0 EFABRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419716 473398667 /nfs/dbraw/zinc/39/86/67/473398667.db2.gz PFWALTLLWHESNK-HOTGVXAUSA-N 1 0 348.491 2.645 40 0 EFABRO CC(C)=CCSc1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000096420815 473399267 /nfs/dbraw/zinc/39/92/67/473399267.db2.gz FQNFOGPPEIYFPL-INIZCTEOSA-N 1 0 347.528 2.721 40 0 EFABRO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096422074 473400224 /nfs/dbraw/zinc/40/02/24/473400224.db2.gz XXWCEVFUUALOIO-KVSKMBFKSA-N 1 0 338.455 2.794 40 0 EFABRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000096426457 473404595 /nfs/dbraw/zinc/40/45/95/473404595.db2.gz QLUZGCJLVFMORQ-INIZCTEOSA-N 1 0 339.439 2.732 40 0 EFABRO CC(C)CC(=O)Nc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC000096426420 473404814 /nfs/dbraw/zinc/40/48/14/473404814.db2.gz CXKMXAPPIWEWBA-CQSZACIVSA-N 1 0 349.450 2.834 40 0 EFABRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000096426435 473405026 /nfs/dbraw/zinc/40/50/26/473405026.db2.gz ZJQNWCKUFJVASA-CQSZACIVSA-N 1 0 335.423 2.634 40 0 EFABRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000096432181 473410525 /nfs/dbraw/zinc/41/05/25/473410525.db2.gz GVILURGVPDIHEY-KRWDZBQOSA-N 1 0 343.471 2.608 40 0 EFABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncncc1Cl ZINC000177656739 473411686 /nfs/dbraw/zinc/41/16/86/473411686.db2.gz ILMMFDIHKIDILD-OAHLLOKOSA-N 1 0 344.846 2.724 40 0 EFABRO Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000096433513 473412727 /nfs/dbraw/zinc/41/27/27/473412727.db2.gz VVNNLQFXPGLZDF-FMIVXFBMSA-N 1 0 340.408 2.988 40 0 EFABRO Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1OC(C)C ZINC000096435273 473413954 /nfs/dbraw/zinc/41/39/54/473413954.db2.gz YPZSEELUMHPBQR-MRXNPFEDSA-N 1 0 348.491 2.540 40 0 EFABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000096436294 473416075 /nfs/dbraw/zinc/41/60/75/473416075.db2.gz ZIJOFIIICYKANJ-GOSISDBHSA-N 1 0 332.444 2.743 40 0 EFABRO Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)nc1 ZINC000096437425 473416330 /nfs/dbraw/zinc/41/63/30/473416330.db2.gz RZNQCIMIGGOBHV-SFHVURJKSA-N 1 0 344.503 2.738 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000096440999 473418355 /nfs/dbraw/zinc/41/83/55/473418355.db2.gz JKPIHUJFGLHJNI-INIZCTEOSA-N 1 0 335.467 2.647 40 0 EFABRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000096440798 473418688 /nfs/dbraw/zinc/41/86/88/473418688.db2.gz FOSYGQLBEKXMCV-RBUKOAKNSA-N 1 0 347.478 2.606 40 0 EFABRO Cc1ccc(CC[N@@H+](Cc2cc(=O)c(O)co2)C[C@H]2CCCO2)cc1 ZINC000096441665 473420301 /nfs/dbraw/zinc/42/03/01/473420301.db2.gz NVMSKSPHUGTPJS-QGZVFWFLSA-N 1 0 343.423 2.878 40 0 EFABRO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000096445740 473423559 /nfs/dbraw/zinc/42/35/59/473423559.db2.gz ZATBOMPPHZHRCW-LLVKDONJSA-N 1 0 335.757 2.626 40 0 EFABRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3csc(C)n3)C2)c1 ZINC000096449340 473425761 /nfs/dbraw/zinc/42/57/61/473425761.db2.gz MNPLKOORYSXUOS-ZDUSSCGKSA-N 1 0 333.457 2.837 40 0 EFABRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3nc(C)cs3)C2)c1 ZINC000096449348 473426464 /nfs/dbraw/zinc/42/64/64/473426464.db2.gz CBGJWLNKXGKFNI-ZDUSSCGKSA-N 1 0 333.457 2.837 40 0 EFABRO C[S@](=O)c1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000096452227 473428634 /nfs/dbraw/zinc/42/86/34/473428634.db2.gz MBLNJRAACZYBNO-XMMPIXPASA-N 1 0 349.500 2.953 40 0 EFABRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000096452010 473429262 /nfs/dbraw/zinc/42/92/62/473429262.db2.gz BACBIEIEEQBBPR-UHFFFAOYSA-N 1 0 349.434 2.552 40 0 EFABRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ncncc1Cl ZINC000096454925 473431535 /nfs/dbraw/zinc/43/15/35/473431535.db2.gz FOKBLKPAMGFSAB-HNNXBMFYSA-N 1 0 344.846 2.915 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(-c2cnn(C)c2)nn1 ZINC000096456211 473432199 /nfs/dbraw/zinc/43/21/99/473432199.db2.gz VDZANIQIQMTXMA-MRXNPFEDSA-N 1 0 348.454 2.588 40 0 EFABRO COc1ccccc1NC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000096461296 473433213 /nfs/dbraw/zinc/43/32/13/473433213.db2.gz LHQWBJYHJRIGPA-UHFFFAOYSA-N 1 0 339.439 2.871 40 0 EFABRO O=C([C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)N1CCCCCC1 ZINC000096468508 473436167 /nfs/dbraw/zinc/43/61/67/473436167.db2.gz OQFVNRCYCYWROJ-QGZVFWFLSA-N 1 0 340.471 2.949 40 0 EFABRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1F ZINC000096474700 473438698 /nfs/dbraw/zinc/43/86/98/473438698.db2.gz UJPUTRQXDLNFAW-HNNXBMFYSA-N 1 0 343.450 2.527 40 0 EFABRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478764 473440810 /nfs/dbraw/zinc/44/08/10/473440810.db2.gz MRWPCYJNPIGPPW-SJKOYZFVSA-N 1 0 339.447 2.815 40 0 EFABRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479369 473441079 /nfs/dbraw/zinc/44/10/79/473441079.db2.gz LCBHFTPLFRMVNO-CZUORRHYSA-N 1 0 330.428 2.857 40 0 EFABRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000096481290 473441387 /nfs/dbraw/zinc/44/13/87/473441387.db2.gz CQPUWCKSAKXXDN-CCKFTAQKSA-N 1 0 342.414 2.684 40 0 EFABRO COC[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485947 473444431 /nfs/dbraw/zinc/44/44/31/473444431.db2.gz FEPMXSHENAYPHZ-DETPVDSQSA-N 1 0 342.842 2.871 40 0 EFABRO CCCS(=O)(=O)NC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000096489683 473445677 /nfs/dbraw/zinc/44/56/77/473445677.db2.gz XCVNPVZSLWOCPM-UHFFFAOYSA-N 1 0 336.457 2.727 40 0 EFABRO C[C@H](CCNC(=O)N1CCOCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000096490527 473445981 /nfs/dbraw/zinc/44/59/81/473445981.db2.gz KTNMVUBAXXZAAG-IAGOWNOFSA-N 1 0 333.476 2.717 40 0 EFABRO Cc1cc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)no1 ZINC000096490216 473446714 /nfs/dbraw/zinc/44/67/14/473446714.db2.gz OBRSTLRHEQUNOB-UHFFFAOYSA-N 1 0 334.851 2.678 40 0 EFABRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 ZINC000096491163 473447624 /nfs/dbraw/zinc/44/76/24/473447624.db2.gz GPPQTQQXPCOYMH-MDZLAQPJSA-N 1 0 328.815 2.813 40 0 EFABRO Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(OCc2ccco2)c1 ZINC000096491690 473447666 /nfs/dbraw/zinc/44/76/66/473447666.db2.gz HAIDMBKGZAQWSC-MRXNPFEDSA-N 1 0 349.452 2.834 40 0 EFABRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000096491563 473447694 /nfs/dbraw/zinc/44/76/94/473447694.db2.gz PBJLHORNCRPZAF-IRXDYDNUSA-N 1 0 332.469 2.723 40 0 EFABRO CC(C)[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000096492297 473448044 /nfs/dbraw/zinc/44/80/44/473448044.db2.gz VJBAAVNQCQZCAI-KRWDZBQOSA-N 1 0 326.387 2.500 40 0 EFABRO Cc1cc(Cl)cc(C)c1C[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000096493565 473448731 /nfs/dbraw/zinc/44/87/31/473448731.db2.gz JEJYAHVKQIZCAZ-UHFFFAOYSA-N 1 0 337.895 2.599 40 0 EFABRO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495822 473450585 /nfs/dbraw/zinc/45/05/85/473450585.db2.gz VXRDDNVUFZAAET-OAHLLOKOSA-N 1 0 341.459 2.566 40 0 EFABRO c1csc(N2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)n1 ZINC000096494495 473450749 /nfs/dbraw/zinc/45/07/49/473450749.db2.gz GVBUMYQCGZEEPF-AWEZNQCLSA-N 1 0 331.441 2.542 40 0 EFABRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(Cl)cn1 ZINC000096500780 473452588 /nfs/dbraw/zinc/45/25/88/473452588.db2.gz KHBBLDJIUHOEQP-MRXNPFEDSA-N 1 0 332.835 2.699 40 0 EFABRO C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000096500620 473452910 /nfs/dbraw/zinc/45/29/10/473452910.db2.gz HJFJTWZFDHZZSM-AWEZNQCLSA-N 1 0 325.412 2.786 40 0 EFABRO Cc1cnccc1CCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096500584 473452992 /nfs/dbraw/zinc/45/29/92/473452992.db2.gz GIYAOVZRINYMLA-AEFFLSMTSA-N 1 0 344.503 2.885 40 0 EFABRO O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000152022078 473517285 /nfs/dbraw/zinc/51/72/85/473517285.db2.gz GRQPFWOGASVROY-SFHVURJKSA-N 1 0 344.386 2.722 40 0 EFABRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000152163135 473530851 /nfs/dbraw/zinc/53/08/51/473530851.db2.gz JCUFYJDRJPPACG-MSOLQXFVSA-N 1 0 349.519 2.535 40 0 EFABRO CC[C@H](C)Oc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)ccn1 ZINC000274147761 473744180 /nfs/dbraw/zinc/74/41/80/473744180.db2.gz YQFCJDDNAKUCMV-QEJZJMRPSA-N 1 0 344.415 2.845 40 0 EFABRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)o1)CC2 ZINC000192983852 473756387 /nfs/dbraw/zinc/75/63/87/473756387.db2.gz NWOROZPGALYDFD-NXEZZACHSA-N 1 0 339.237 2.862 40 0 EFABRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000179976868 473768120 /nfs/dbraw/zinc/76/81/20/473768120.db2.gz DFULEHKBTAJYEK-PKOBYXMFSA-N 1 0 345.464 2.948 40 0 EFABRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000194113452 473843562 /nfs/dbraw/zinc/84/35/62/473843562.db2.gz GWLYRCVVHRXJPS-MWLCHTKSSA-N 1 0 346.294 2.965 40 0 EFABRO CCc1ccc([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2cccs2)cc1 ZINC000195543087 474091186 /nfs/dbraw/zinc/09/11/86/474091186.db2.gz PQNRMGBCQITENJ-RDJZCZTQSA-N 1 0 330.453 2.505 40 0 EFABRO Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cnn1-c1ccc(F)cc1 ZINC000195542964 474091495 /nfs/dbraw/zinc/09/14/95/474091495.db2.gz WHRDEXFPRXLPDY-SJCJKPOMSA-N 1 0 330.407 2.519 40 0 EFABRO CCc1ccc([C@@H](NC(=O)[C@H]2C[NH2+]CCO2)c2cccs2)cc1 ZINC000195543090 474091891 /nfs/dbraw/zinc/09/18/91/474091891.db2.gz PQNRMGBCQITENJ-NVXWUHKLSA-N 1 0 330.453 2.505 40 0 EFABRO Cc1cc(-n2cncn2)ccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000195542984 474091954 /nfs/dbraw/zinc/09/19/54/474091954.db2.gz BOZXZKTXZWWZSQ-UHFFFAOYSA-N 1 0 341.459 2.618 40 0 EFABRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(Cl)c1 ZINC000188435462 474093529 /nfs/dbraw/zinc/09/35/29/474093529.db2.gz UXOOJIHZEKXGIU-KGLIPLIRSA-N 1 0 342.892 2.899 40 0 EFABRO CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CCO1 ZINC000195556374 474094086 /nfs/dbraw/zinc/09/40/86/474094086.db2.gz FYBWMCVRSYFLOX-IPMKNSEASA-N 1 0 330.472 2.972 40 0 EFABRO CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000195551363 474094907 /nfs/dbraw/zinc/09/49/07/474094907.db2.gz WALCMFACALWSTD-OAHLLOKOSA-N 1 0 349.479 2.522 40 0 EFABRO CSc1ccccc1C[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000195558714 474095819 /nfs/dbraw/zinc/09/58/19/474095819.db2.gz QBMSJLTWGJNNFV-CYBMUJFWSA-N 1 0 327.515 2.754 40 0 EFABRO C[C@@H](CO)[NH2+][C@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558128 474096572 /nfs/dbraw/zinc/09/65/72/474096572.db2.gz CMCGEYPWKDJBIC-XHDPSFHLSA-N 1 0 328.250 2.887 40 0 EFABRO Cc1ncsc1C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000195566492 474097402 /nfs/dbraw/zinc/09/74/02/474097402.db2.gz AIWWQNFBOJYMFV-NSHDSACASA-N 1 0 329.425 2.616 40 0 EFABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(F)(F)F ZINC000195564822 474097432 /nfs/dbraw/zinc/09/74/32/474097432.db2.gz NMDYBXOFIGTFMM-JSGCOSHPSA-N 1 0 329.366 2.759 40 0 EFABRO C[NH+]1CCN(c2ccccc2NC(=O)Nc2ccc(O)cc2)CC1 ZINC000195574619 474098781 /nfs/dbraw/zinc/09/87/81/474098781.db2.gz BTBATJYYKJOQMW-UHFFFAOYSA-N 1 0 326.400 2.788 40 0 EFABRO COc1ccc([C@H](C[NH2+][C@H]2CCS[C@@H]2C)N2CCOCC2)cc1 ZINC000195573170 474098867 /nfs/dbraw/zinc/09/88/67/474098867.db2.gz OLGSRTAVRDMHPD-JLSDUUJJSA-N 1 0 336.501 2.552 40 0 EFABRO CCN1CC[NH+](C[C@H](C)CNc2ccc(Br)cn2)CC1 ZINC000195575060 474100477 /nfs/dbraw/zinc/10/04/77/474100477.db2.gz JWNVZKYPFHZEFG-CYBMUJFWSA-N 1 0 341.297 2.530 40 0 EFABRO Fc1ccc(CN2Cc3ccnn3C[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000247492062 474162954 /nfs/dbraw/zinc/16/29/54/474162954.db2.gz BUQYYXPBHYYRCH-MRXNPFEDSA-N 1 0 346.425 2.889 40 0 EFABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)s1 ZINC000223253252 474182267 /nfs/dbraw/zinc/18/22/67/474182267.db2.gz QFTWNQWPNFVBNJ-JKSUJKDBSA-N 1 0 346.525 2.986 40 0 EFABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)ccc12 ZINC000224545653 474198442 /nfs/dbraw/zinc/19/84/42/474198442.db2.gz QZLOQBPLCQEGDR-BDJLRTHQSA-N 1 0 332.400 2.571 40 0 EFABRO Cc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1C ZINC000282804160 474200121 /nfs/dbraw/zinc/20/01/21/474200121.db2.gz OJJKFZPBMRIZBT-CQSZACIVSA-N 1 0 327.432 2.579 40 0 EFABRO S=C(NCCC[NH+]1CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000225410097 474210449 /nfs/dbraw/zinc/21/04/49/474210449.db2.gz FTQCCBVPXNGODN-UHFFFAOYSA-N 1 0 335.473 2.620 40 0 EFABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225410573 474210779 /nfs/dbraw/zinc/21/07/79/474210779.db2.gz FMRHLKQIFFBACG-UHFFFAOYSA-N 1 0 335.473 2.636 40 0 EFABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000225409633 474211001 /nfs/dbraw/zinc/21/10/01/474211001.db2.gz BOGYBWCURTUZDQ-UHFFFAOYSA-N 1 0 337.489 2.866 40 0 EFABRO COCC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468142 474214474 /nfs/dbraw/zinc/21/44/74/474214474.db2.gz WTUVWZFRZWPYCB-CJNGLKHVSA-N 1 0 345.892 2.832 40 0 EFABRO COC(=O)CC1([NH2+]Cc2ccc3nc(C)ccc3c2)CCOCC1 ZINC000225464503 474215556 /nfs/dbraw/zinc/21/55/56/474215556.db2.gz FBDMBLQPGWZFIO-UHFFFAOYSA-N 1 0 328.412 2.745 40 0 EFABRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000225492771 474217441 /nfs/dbraw/zinc/21/74/41/474217441.db2.gz PCNKWTNYRSCVSE-WMZOPIPTSA-N 1 0 337.508 2.852 40 0 EFABRO CC[C@]1(C)CN(C(=O)NCc2ccc(C)nc2N2CCCC2)CCO1 ZINC000225504326 474219173 /nfs/dbraw/zinc/21/91/73/474219173.db2.gz YESWXSRKZZANAT-LJQANCHMSA-N 1 0 346.475 2.701 40 0 EFABRO CNc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ccn1 ZINC000225557635 474223714 /nfs/dbraw/zinc/22/37/14/474223714.db2.gz REFQJPXFJRVTDQ-UHFFFAOYSA-N 1 0 348.397 2.606 40 0 EFABRO Cc1cc(C[NH+]2CCC(CNC(=O)NC[C@H]3CCCO3)CC2)c(C)o1 ZINC000225553608 474224515 /nfs/dbraw/zinc/22/45/15/474224515.db2.gz KKVQQDKRBXBTGO-GOSISDBHSA-N 1 0 349.475 2.587 40 0 EFABRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000188886258 474224527 /nfs/dbraw/zinc/22/45/27/474224527.db2.gz QDIKAWMJFVIPIN-AWEZNQCLSA-N 1 0 329.448 2.722 40 0 EFABRO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549745 474224651 /nfs/dbraw/zinc/22/46/51/474224651.db2.gz YOFMMBOGDCXWQS-KBPBESRZSA-N 1 0 332.213 2.780 40 0 EFABRO O=C(NCc1ccccc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225576402 474226786 /nfs/dbraw/zinc/22/67/86/474226786.db2.gz NXVDWCUAOSAODY-QGZVFWFLSA-N 1 0 333.501 2.703 40 0 EFABRO CN1CC[NH+](CCC(C)(C)Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000225591961 474227377 /nfs/dbraw/zinc/22/73/77/474227377.db2.gz SOWDWTAUEKRBON-UHFFFAOYSA-N 1 0 330.398 2.928 40 0 EFABRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000225631490 474230282 /nfs/dbraw/zinc/23/02/82/474230282.db2.gz WSPXGECMPKPNEP-BXUZGUMPSA-N 1 0 346.290 2.547 40 0 EFABRO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1N1CCCC1=O ZINC000225800474 474238185 /nfs/dbraw/zinc/23/81/85/474238185.db2.gz DCQVEMOAZLDSGW-UHFFFAOYSA-N 1 0 346.500 2.502 40 0 EFABRO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000182709832 474239505 /nfs/dbraw/zinc/23/95/05/474239505.db2.gz VNWIHGBLPIQMHJ-IRXDYDNUSA-N 1 0 346.452 2.929 40 0 EFABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C)cc2N)CC1 ZINC000226265282 474240185 /nfs/dbraw/zinc/24/01/85/474240185.db2.gz SCZDUEFLSHRZPM-UHFFFAOYSA-N 1 0 338.455 2.971 40 0 EFABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH3+])C[C@@H](C1)N2Cc1ccccc1 ZINC000265540589 474248374 /nfs/dbraw/zinc/24/83/74/474248374.db2.gz IFWGOUIKYKUCBK-BJWYYQGGSA-N 1 0 331.460 2.598 40 0 EFABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)c2csc(C)n2)Cc2ccnn21 ZINC000248040145 474250121 /nfs/dbraw/zinc/25/01/21/474250121.db2.gz OORCHAUTBFOAQY-OAHLLOKOSA-N 1 0 347.488 2.577 40 0 EFABRO COc1ccc(C)cc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228932047 474251148 /nfs/dbraw/zinc/25/11/48/474251148.db2.gz DMCBZFOUCGPHFU-UHFFFAOYSA-N 1 0 338.415 2.811 40 0 EFABRO Fc1cccc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228931071 474251201 /nfs/dbraw/zinc/25/12/01/474251201.db2.gz CXGHYHQYAPMOMX-UHFFFAOYSA-N 1 0 326.379 2.502 40 0 EFABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)s1 ZINC000248124366 474261705 /nfs/dbraw/zinc/26/17/05/474261705.db2.gz WLEBBYSTXLBLCK-DJIMGWMZSA-N 1 0 345.468 2.905 40 0 EFABRO C[C@H]1[C@H](CC[NH+](C)C)COCCN1C(=O)c1cc2ccccc2o1 ZINC000248120978 474262369 /nfs/dbraw/zinc/26/23/69/474262369.db2.gz NCZXRDXIHQXIIT-GOEBONIOSA-N 1 0 330.428 2.862 40 0 EFABRO COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000248133224 474265524 /nfs/dbraw/zinc/26/55/24/474265524.db2.gz LMEYPNLYQCYLRF-CGTJXYLNSA-N 1 0 332.444 2.769 40 0 EFABRO COc1ccccc1CN1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000248142843 474269061 /nfs/dbraw/zinc/26/90/61/474269061.db2.gz QSTGYMVACKOTGD-KRWDZBQOSA-N 1 0 340.423 2.760 40 0 EFABRO O=C1[C@@H]([NH2+][C@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031730 474309989 /nfs/dbraw/zinc/30/99/89/474309989.db2.gz UQGSGIOJEHATAO-GJZGRUSLSA-N 1 0 342.361 2.575 40 0 EFABRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@@H]([NH3+])C2)o1 ZINC000237707222 474461090 /nfs/dbraw/zinc/46/10/90/474461090.db2.gz YEPNNPOVRZKHPR-CQSZACIVSA-N 1 0 336.395 2.614 40 0 EFABRO [NH3+][C@@H](C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000238095501 474534662 /nfs/dbraw/zinc/53/46/62/474534662.db2.gz CTGPDTWFPDDNQG-DOTOQJQBSA-N 1 0 330.453 2.956 40 0 EFABRO CS(=O)(=O)CC1(CN2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000241564235 474555900 /nfs/dbraw/zinc/55/59/00/474555900.db2.gz OSNJPFMWSYTIGD-UHFFFAOYSA-N 1 0 343.439 2.969 40 0 EFABRO O[C@@H]1CC[N@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@@H]12 ZINC000245227770 474572805 /nfs/dbraw/zinc/57/28/05/474572805.db2.gz UYCRVAISBCXPHX-KWCYVHTRSA-N 1 0 348.834 2.910 40 0 EFABRO Cc1cccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000245339512 474574460 /nfs/dbraw/zinc/57/44/60/474574460.db2.gz UDFMVZKKXAOYAG-ULQDDVLXSA-N 1 0 331.460 2.527 40 0 EFABRO CC[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000245380370 474575073 /nfs/dbraw/zinc/57/50/73/474575073.db2.gz XSNMHHKCQGMGIY-WBVHZDCISA-N 1 0 343.427 2.541 40 0 EFABRO O=C(N[C@H]1CCCOc2ccccc21)c1cc(CN2CCCC2)on1 ZINC000291625875 474634735 /nfs/dbraw/zinc/63/47/35/474634735.db2.gz FXBMAOXEOUIDSV-INIZCTEOSA-N 1 0 341.411 2.914 40 0 EFABRO COc1ccccc1C[C@@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252477383 474662072 /nfs/dbraw/zinc/66/20/72/474662072.db2.gz MUVPLEBOSVLKNC-AEFFLSMTSA-N 1 0 330.472 2.961 40 0 EFABRO C[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272996423 474662108 /nfs/dbraw/zinc/66/21/08/474662108.db2.gz QRYKBHSRFDPKCB-HNNXBMFYSA-N 1 0 344.455 2.625 40 0 EFABRO c1ccc(N2CCN(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)cc1 ZINC000252499125 474682156 /nfs/dbraw/zinc/68/21/56/474682156.db2.gz RVTPMKXABCTDMO-OAQYLSRUSA-N 1 0 343.515 2.842 40 0 EFABRO COc1ccccc1NC(=O)CN1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000252508436 474687143 /nfs/dbraw/zinc/68/71/43/474687143.db2.gz XNITWOOFVSSPQA-KRWDZBQOSA-N 1 0 347.503 2.934 40 0 EFABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(CCO)cc1 ZINC000252584918 474698245 /nfs/dbraw/zinc/69/82/45/474698245.db2.gz DTYQXVLCKIQUCK-OXQOHEQNSA-N 1 0 325.456 2.939 40 0 EFABRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000252586445 474699085 /nfs/dbraw/zinc/69/90/85/474699085.db2.gz QCRFSTKKDNANQQ-OWCLPIDISA-N 1 0 348.491 2.884 40 0 EFABRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000253369908 474728573 /nfs/dbraw/zinc/72/85/73/474728573.db2.gz JRPUQTPPRBRAKD-LSTHTHJFSA-N 1 0 337.467 2.885 40 0 EFABRO C[C@@H](c1ccccn1)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000253392755 474732039 /nfs/dbraw/zinc/73/20/39/474732039.db2.gz UZCQCFUJKQZDJS-PKOBYXMFSA-N 1 0 333.476 2.694 40 0 EFABRO Cn1ccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000253415594 474741404 /nfs/dbraw/zinc/74/14/04/474741404.db2.gz GQXXLQCJRDVKAQ-CYBMUJFWSA-N 1 0 349.276 2.799 40 0 EFABRO Cc1cc(N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)cc[nH+]1 ZINC000253417166 474742439 /nfs/dbraw/zinc/74/24/39/474742439.db2.gz ISIXECAMIGVLTA-QGZVFWFLSA-N 1 0 341.459 2.633 40 0 EFABRO CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000253428491 474754287 /nfs/dbraw/zinc/75/42/87/474754287.db2.gz LDPQJFGTOAESDK-CXAGYDPISA-N 1 0 334.441 2.747 40 0 EFABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1CC1CC1 ZINC000306123872 474806684 /nfs/dbraw/zinc/80/66/84/474806684.db2.gz AZGIQLPHIQRAHG-RBUKOAKNSA-N 1 0 339.414 2.919 40 0 EFABRO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000306125033 474806902 /nfs/dbraw/zinc/80/69/02/474806902.db2.gz CFBVFWHQDIGFQJ-NFAHFFEMSA-N 1 0 334.485 2.578 40 0 EFABRO CCc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(C)n23)cc1 ZINC000306125417 474807012 /nfs/dbraw/zinc/80/70/12/474807012.db2.gz CPVPAPHOSALYEN-UHFFFAOYSA-N 1 0 339.487 2.586 40 0 EFABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000306127100 474807636 /nfs/dbraw/zinc/80/76/36/474807636.db2.gz FOJLENALEUOENF-CCLIWJKGSA-N 1 0 346.515 2.772 40 0 EFABRO Cn1cc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132751 474809012 /nfs/dbraw/zinc/80/90/12/474809012.db2.gz LQZGHNKFJDDYIA-ROUUACIJSA-N 1 0 333.439 2.588 40 0 EFABRO CC(C)n1cnc([C@@H]2C[N@H+](CC3CC3)C[C@]23CCCN(C)C3=O)c1 ZINC000306131242 474809968 /nfs/dbraw/zinc/80/99/68/474809968.db2.gz JZDZIEJHHXALBA-QFBILLFUSA-N 1 0 330.476 2.512 40 0 EFABRO NC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257254236 474927075 /nfs/dbraw/zinc/92/70/75/474927075.db2.gz KCHIRFPTRPCRFX-AWEZNQCLSA-N 1 0 349.438 2.512 40 0 EFABRO CC(C)[N@@H+]1CCC[C@@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257269924 474927931 /nfs/dbraw/zinc/92/79/31/474927931.db2.gz MRZIUOULQPZQQY-OAHLLOKOSA-N 1 0 346.431 2.528 40 0 EFABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccccc2F)cc1 ZINC000257282542 474930148 /nfs/dbraw/zinc/93/01/48/474930148.db2.gz OUEIBPCMAFQWBJ-SFHVURJKSA-N 1 0 328.387 2.550 40 0 EFABRO CCc1nc(C)c(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)[nH]1 ZINC000257287544 474933084 /nfs/dbraw/zinc/93/30/84/474933084.db2.gz PQKGQKBPZXDAIP-IEBWSBKVSA-N 1 0 329.444 2.685 40 0 EFABRO Cc1cc(CC2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)ccn1 ZINC000257293873 474936476 /nfs/dbraw/zinc/93/64/76/474936476.db2.gz QROGXHABXBCZJM-UHFFFAOYSA-N 1 0 325.460 2.701 40 0 EFABRO C[N@H+](Cc1cccc(OCCO)c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257292243 474936595 /nfs/dbraw/zinc/93/65/95/474936595.db2.gz QKQMIPVXDGFPOO-GOSISDBHSA-N 1 0 341.455 2.554 40 0 EFABRO Cc1nc(C[N@H+]2CCC[C@@H](c3ccc4c(N)nn(C)c4n3)C2)cs1 ZINC000257293356 474936755 /nfs/dbraw/zinc/93/67/55/474936755.db2.gz QPDDPQXVDBACEY-GFCCVEGCSA-N 1 0 342.472 2.695 40 0 EFABRO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@H+](Cc4ccccn4)C3)ncn2)n1 ZINC000257299099 474940181 /nfs/dbraw/zinc/94/01/81/474940181.db2.gz ROSAWMIGMQNNMH-HNNXBMFYSA-N 1 0 334.427 2.635 40 0 EFABRO Cc1cc(N)cc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)[nH+]1 ZINC000257301511 474940414 /nfs/dbraw/zinc/94/04/14/474940414.db2.gz RYUGOKIHRXMJCZ-AWEZNQCLSA-N 1 0 338.333 2.964 40 0 EFABRO Cc1ncsc1-c1ccc(C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000257298946 474940953 /nfs/dbraw/zinc/94/09/53/474940953.db2.gz ROACYMVRMGMEFG-UHFFFAOYSA-N 1 0 330.457 2.729 40 0 EFABRO CC(=O)Nc1nc(C)c(-c2cncc(C[C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000257299610 474941169 /nfs/dbraw/zinc/94/11/69/474941169.db2.gz RQTYBVLIOPAIFH-ZDUSSCGKSA-N 1 0 345.472 2.751 40 0 EFABRO Cc1noc(C)c1-c1cccc([C@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257302291 474943175 /nfs/dbraw/zinc/94/31/75/474943175.db2.gz SCIXYDLIRGOJEJ-GOSISDBHSA-N 1 0 343.427 2.906 40 0 EFABRO COCC[N@@H+]1CCC[C@@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 ZINC000257310987 474948098 /nfs/dbraw/zinc/94/80/98/474948098.db2.gz UHKWEJWPIVDZAV-OAHLLOKOSA-N 1 0 329.448 2.747 40 0 EFABRO COc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257317281 474950043 /nfs/dbraw/zinc/95/00/43/474950043.db2.gz VJCNYPYFYNRCTL-PMACEKPBSA-N 1 0 327.424 2.964 40 0 EFABRO Cc1ncsc1CN1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257319990 474950913 /nfs/dbraw/zinc/95/09/13/474950913.db2.gz VUWXRSAUDWSJMU-INIZCTEOSA-N 1 0 332.473 2.794 40 0 EFABRO Cc1cc(C(=O)N2CCC[C@H]2c2cccc(C[NH+]3CCCC3)n2)no1 ZINC000257319245 474951239 /nfs/dbraw/zinc/95/12/39/474951239.db2.gz VRMFXOWNAODORS-SFHVURJKSA-N 1 0 340.427 2.951 40 0 EFABRO CN1CCC([N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)CC1 ZINC000257320946 474952575 /nfs/dbraw/zinc/95/25/75/474952575.db2.gz VZKJJLGWPYPMMF-SFTDATJTSA-N 1 0 344.499 2.921 40 0 EFABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000257322062 474954200 /nfs/dbraw/zinc/95/42/00/474954200.db2.gz WELNMNZURMJGPD-KRWDZBQOSA-N 1 0 342.418 2.584 40 0 EFABRO CCN1CCC([NH+]2CCC(c3ccnc4cc(C)nn43)CC2)CC1 ZINC000257331930 474958635 /nfs/dbraw/zinc/95/86/35/474958635.db2.gz XUYGESWQKWIMNE-UHFFFAOYSA-N 1 0 327.476 2.701 40 0 EFABRO CNC(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000257332632 474958915 /nfs/dbraw/zinc/95/89/15/474958915.db2.gz XYBSVWBVGAISAM-LLVKDONJSA-N 1 0 330.457 2.783 40 0 EFABRO CC(=O)N1[C@H]2CC[N@H+](Cc3ccccc3Cl)C[C@@H]2C[C@]1(C)CO ZINC000257332564 474960243 /nfs/dbraw/zinc/96/02/43/474960243.db2.gz XXWIPUVNWJGWAV-RYQLBKOJSA-N 1 0 336.863 2.534 40 0 EFABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257337581 474961999 /nfs/dbraw/zinc/96/19/99/474961999.db2.gz YTKALKUFNZTCAJ-HNNXBMFYSA-N 1 0 348.454 2.904 40 0 EFABRO Cn1nccc1CN1CC[N@H+](C)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257336994 474962075 /nfs/dbraw/zinc/96/20/75/474962075.db2.gz YQXQDBJRSJURSU-GOSISDBHSA-N 1 0 349.482 2.575 40 0 EFABRO O=c1cc(C[C@H]2COCC[N@@H+](Cc3ccccc3Cl)C2)nc[nH]1 ZINC000257340396 474963754 /nfs/dbraw/zinc/96/37/54/474963754.db2.gz ZFWFBQTYHJTUJA-CYBMUJFWSA-N 1 0 333.819 2.527 40 0 EFABRO CCc1ncsc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333109384 475842388 /nfs/dbraw/zinc/84/23/88/475842388.db2.gz DSQPOKQPTLHYIG-UHFFFAOYSA-N 1 0 334.489 2.981 40 0 EFABRO COCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000390833301 476805295 /nfs/dbraw/zinc/80/52/95/476805295.db2.gz FUKBRGUGVVWCDB-RBUKOAKNSA-N 1 0 342.483 2.926 40 0 EFABRO CN(c1ncnc2[nH]ccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450948153 477771178 /nfs/dbraw/zinc/77/11/78/477771178.db2.gz DSDUEHJIBCCGAA-UHFFFAOYSA-N 1 0 327.354 2.811 40 0 EFABRO Cn1nc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc21 ZINC000529522110 479189240 /nfs/dbraw/zinc/18/92/40/479189240.db2.gz YMCBUOVTOYIUBL-AWEZNQCLSA-N 1 0 326.444 2.710 40 0 EFABRO O=C1CC[C@]2(CCC[N@H+](Cc3nccs3)CC2)N1C[C@H]1CCCO1 ZINC000585099864 479282456 /nfs/dbraw/zinc/28/24/56/479282456.db2.gz MDVQNOFWLJKEDA-QAPCUYQASA-N 1 0 349.500 2.669 40 0 EFABRO CC(C)CC[N@@H+]1CCC[C@@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101090 479283285 /nfs/dbraw/zinc/28/32/85/479283285.db2.gz CKGYLJBRQMQRGX-MRXNPFEDSA-N 1 0 343.418 2.557 40 0 EFABRO c1ccc(CO[C@H]2CSC3(C[NH+](CC4CCOCC4)C3)C2)nc1 ZINC000585103338 479284624 /nfs/dbraw/zinc/28/46/24/479284624.db2.gz ARAJYVOYQJZFFN-QGZVFWFLSA-N 1 0 334.485 2.585 40 0 EFABRO COCC[N@@H+]1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000585113229 479288445 /nfs/dbraw/zinc/28/84/45/479288445.db2.gz NSHZIWOUJNXATO-FQEVSTJZSA-N 1 0 344.499 2.969 40 0 EFABRO Cc1ncsc1CN1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112396 479289728 /nfs/dbraw/zinc/28/97/28/479289728.db2.gz OXPYQCPNFDYFPK-INIZCTEOSA-N 1 0 331.489 2.691 40 0 EFABRO Cc1[nH+]c2cc(NCc3ccc(F)c(C)c3)ccc2n1C(CO)CO ZINC000585140485 479297317 /nfs/dbraw/zinc/29/73/17/479297317.db2.gz FWFXNXYPPXHGPZ-UHFFFAOYSA-N 1 0 343.402 2.930 40 0 EFABRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2ncccn2)[C@H]1C ZINC000585141587 479298876 /nfs/dbraw/zinc/29/88/76/479298876.db2.gz DDVLYRWZHZUYFE-ILXRZTDVSA-N 1 0 334.464 2.990 40 0 EFABRO O=C1OC2(CN1c1cc(CC3CC[NH2+]CC3)ncn1)CCCCC2 ZINC000585178814 479302441 /nfs/dbraw/zinc/30/24/41/479302441.db2.gz WZCJDQWEPYMZOS-UHFFFAOYSA-N 1 0 330.432 2.678 40 0 EFABRO FC(F)(F)Cc1cnc(Nc2cncc(C3CC[NH2+]CC3)n2)s1 ZINC000585263365 479303389 /nfs/dbraw/zinc/30/33/89/479303389.db2.gz XEZOJBXSFKLFRT-UHFFFAOYSA-N 1 0 343.378 3.249 40 0 EFABRO NC(=O)c1cc(C[C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182530 479303716 /nfs/dbraw/zinc/30/37/16/479303716.db2.gz DZYLPCPPRDXNAI-CQSZACIVSA-N 1 0 349.438 2.512 40 0 EFABRO c1nc(Nc2cncc(C[C@@H]3CC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585262937 479303969 /nfs/dbraw/zinc/30/39/69/479303969.db2.gz FFUGZDKVLJHQRL-ZDUSSCGKSA-N 1 0 337.452 3.496 40 0 EFABRO Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585285436 479309053 /nfs/dbraw/zinc/30/90/53/479309053.db2.gz CWMLGGJSGGURCA-ATZDWAIDSA-N 1 0 329.444 2.725 40 0 EFABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000585289169 479309498 /nfs/dbraw/zinc/30/94/98/479309498.db2.gz FSFABAKGGCKNAD-RCCFBDPRSA-N 1 0 338.879 2.686 40 0 EFABRO Cc1cccc(O[C@@H]2CCC[C@H](C[NH2+]C3CCN(C)CC3)[C@H]2O)c1 ZINC000585286590 479309648 /nfs/dbraw/zinc/30/96/48/479309648.db2.gz MJTJRQKVELFQKE-NSISKUIASA-N 1 0 332.488 2.587 40 0 EFABRO O[C@@H]1[C@@H](C[NH2+]C2CCOCC2)CC[C@H]1Oc1cccc(Cl)c1 ZINC000585287306 479309744 /nfs/dbraw/zinc/30/97/44/479309744.db2.gz XJMQWMFYJAIVQX-CSMYWGQOSA-N 1 0 325.836 2.627 40 0 EFABRO Cc1cccc(N2CCC(O)(C[N@@H+](C)[C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000585287122 479309752 /nfs/dbraw/zinc/30/97/52/479309752.db2.gz UBEGIAHHQNQERO-OALUTQOASA-N 1 0 332.488 2.562 40 0 EFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCN2CCCCC2)[C@H]1O ZINC000585289140 479309890 /nfs/dbraw/zinc/30/98/90/479309890.db2.gz MWIDCGSXAVBGNE-DFQSSKMNSA-N 1 0 332.488 2.731 40 0 EFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1Cl ZINC000585292774 479310432 /nfs/dbraw/zinc/31/04/32/479310432.db2.gz NYGODMONBKZRMA-KBAYOESNSA-N 1 0 335.806 2.800 40 0 EFABRO CO[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[C@@H]1Cc1cccc(C)c1 ZINC000585290501 479310622 /nfs/dbraw/zinc/31/06/22/479310622.db2.gz XHTDKUOOYQIIQM-APTSRADASA-N 1 0 330.472 2.519 40 0 EFABRO Cc1cc(C)n(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3F)[C@@H]2O)n1 ZINC000585289976 479311039 /nfs/dbraw/zinc/31/10/39/479311039.db2.gz OZLVAPKMFFCXOM-QXAKKESOSA-N 1 0 347.434 2.590 40 0 EFABRO CC(C)c1ccc2ncnc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)c2c1 ZINC000663970813 482428961 /nfs/dbraw/zinc/42/89/61/482428961.db2.gz IZEMRBFNXBPRKK-GASCZTMLSA-N 1 0 328.460 2.645 40 0 EFABRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Br)o2)CC1 ZINC000191617108 533951394 /nfs/dbraw/zinc/95/13/94/533951394.db2.gz JWFRDXOCRJKUDI-SNVBAGLBSA-N 1 0 345.237 2.999 40 0 EFABRO COC(=O)c1ccccc1CC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000187566435 534289557 /nfs/dbraw/zinc/28/95/57/534289557.db2.gz LRSBAKFKROXPNG-UHFFFAOYSA-N 1 0 335.469 2.614 40 0 EFABRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H](c1cnn(C)c1)N(C)C ZINC000095422631 518190080 /nfs/dbraw/zinc/19/00/80/518190080.db2.gz LKGFPLKSJHXDAJ-MSOLQXFVSA-N 1 0 328.460 2.835 40 0 EFABRO CCCn1c(C)nnc1CN1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000159141468 528815081 /nfs/dbraw/zinc/81/50/81/528815081.db2.gz LDQZVARNQYJOEQ-INIZCTEOSA-N 1 0 328.464 2.634 40 0 EFABRO CCC[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000155233339 528990522 /nfs/dbraw/zinc/99/05/22/528990522.db2.gz CFYSDEREDAZYEW-ZIAGYGMSSA-N 1 0 330.350 2.651 40 0 EFABRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000035424630 535179717 /nfs/dbraw/zinc/17/97/17/535179717.db2.gz ZJIQPIGCDKEBJJ-HNNXBMFYSA-N 1 0 343.431 2.514 40 0 biogenic,in-vitro EFABRO CC(C)([NH3+])C(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 ZINC000257208604 535194126 /nfs/dbraw/zinc/19/41/26/535194126.db2.gz BMVQJXMORPHBQT-AWEZNQCLSA-N 1 0 344.390 2.809 40 0 EFABRO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n(C)n1 ZINC000257255026 535358451 /nfs/dbraw/zinc/35/84/51/535358451.db2.gz KFULPYNEBQPJDF-KUZCPNRJSA-N 1 0 330.476 2.679 40 0 EFABRO CN(CC[NH+](C)C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199799983 535855900 /nfs/dbraw/zinc/85/59/00/535855900.db2.gz AFURMPVKCIAPIU-UHFFFAOYSA-N 1 0 341.246 2.920 40 0 EFABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2cccc(F)c2)n1 ZINC000257230955 536052446 /nfs/dbraw/zinc/05/24/46/536052446.db2.gz GEPIWXRWBSVSOD-MRXNPFEDSA-N 1 0 328.391 2.655 40 0 EFABRO COc1cccc(C(NC(=O)[C@H]2CC[NH2+]C2)c2cccc(OC)c2)c1 ZINC000225474449 537092891 /nfs/dbraw/zinc/09/28/91/537092891.db2.gz YOZOVEWRRDJTJS-INIZCTEOSA-N 1 0 340.423 2.519 40 0 EFABRO O=C1CC[C@H]2C[N@H+](Cc3cnc4ccccc4n3)CC[C@H]2N1C1CC1 ZINC000585094320 546371077 /nfs/dbraw/zinc/37/10/77/546371077.db2.gz JIPFRGBLAHOYJW-IFXJQAMLSA-N 1 0 336.439 2.605 40 0 EFABRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000205394278 563973545 /nfs/dbraw/zinc/97/35/45/563973545.db2.gz CFEDBTFJOMXERG-LNPFQXMTSA-N 1 0 336.501 2.597 40 0 EFABRO CN(CCC[NH+]1CCCC1)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000225584953 564149811 /nfs/dbraw/zinc/14/98/11/564149811.db2.gz DEXFHPYZRJZKTH-UHFFFAOYSA-N 1 0 347.356 2.870 40 0 EFABRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000225578497 568423037 /nfs/dbraw/zinc/42/30/37/568423037.db2.gz IXEWCHAHPDHMER-AWEZNQCLSA-N 1 0 348.468 2.844 40 0 EFABRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000225578467 568423053 /nfs/dbraw/zinc/42/30/53/568423053.db2.gz IXEWCHAHPDHMER-CQSZACIVSA-N 1 0 348.468 2.844 40 0 EFABRO O=C(NCC1CC1)[C@@H]1C[N@H+](CC2CC2)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595524 1249162273 /nfs/dbraw/zinc/16/22/73/1249162273.db2.gz CUULXUWDBAXPMH-AOIWGVFYSA-N 1 0 344.430 2.743 40 0 EFABRO O=C(NC1CCC1)[C@@H]1C[N@H+](CC2CC2)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595958 1249168369 /nfs/dbraw/zinc/16/83/69/1249168369.db2.gz VSYXFOMHFXGEDC-AOIWGVFYSA-N 1 0 326.440 2.747 40 0 EFABRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000952847828 1284864859 /nfs/dbraw/zinc/86/48/59/1284864859.db2.gz ACEKAVQGMPXQCD-HKUYNNGSSA-N 1 0 345.487 2.992 40 0 EFABRO