smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1cccc(F)c1F ZINC000159462478 206247209 /nfs/dbraw/zinc/24/72/09/206247209.db2.gz MODKWGJAUGZFFE-NEPJUHHUSA-N 1 1 338.423 3.424 20 70 EGIDMO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000159506299 206250238 /nfs/dbraw/zinc/25/02/38/206250238.db2.gz AANNYVQGICXZJV-STQMWFEESA-N 1 1 348.393 3.329 20 70 EGIDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159802445 206264467 /nfs/dbraw/zinc/26/44/67/206264467.db2.gz LQEFKOZJCRAEKE-AWEZNQCLSA-N 1 1 337.427 3.391 20 70 EGIDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159802445 206264472 /nfs/dbraw/zinc/26/44/72/206264472.db2.gz LQEFKOZJCRAEKE-AWEZNQCLSA-N 1 1 337.427 3.391 20 70 EGIDMO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccc(F)c1F ZINC000159779907 206262914 /nfs/dbraw/zinc/26/29/14/206262914.db2.gz PAUHOXOPTLRIPY-RISCZKNCSA-N 1 1 337.370 3.221 20 70 EGIDMO COCOc1ccc(OC)cc1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000159866607 206266621 /nfs/dbraw/zinc/26/66/21/206266621.db2.gz DYNRWSYPNIYGIC-UHFFFAOYSA-N 1 1 331.412 3.319 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000159943421 206271694 /nfs/dbraw/zinc/27/16/94/206271694.db2.gz HQQKDCWCUFZLJH-LBPRGKRZSA-N 1 1 327.831 3.277 20 70 EGIDMO CCc1nnc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)[nH]1 ZINC000160318586 206289558 /nfs/dbraw/zinc/28/95/58/206289558.db2.gz KGNLFBPRQLDJKO-AWEZNQCLSA-N 1 1 337.427 3.192 20 70 EGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161023758 206323958 /nfs/dbraw/zinc/32/39/58/206323958.db2.gz QQYNZWXERNVCFN-LESCRADOSA-N 1 1 331.460 3.167 20 70 EGIDMO C[C@@H](CCn1cccn1)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159413464 278237225 /nfs/dbraw/zinc/23/72/25/278237225.db2.gz MPHWSUQJYBUMEF-OKZBNKHCSA-N 1 1 342.487 3.383 20 70 EGIDMO C[C@@H](CCn1cccn1)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159413464 278237227 /nfs/dbraw/zinc/23/72/27/278237227.db2.gz MPHWSUQJYBUMEF-OKZBNKHCSA-N 1 1 342.487 3.383 20 70 EGIDMO COc1cccc(N2CC[NH+](Cc3cccc(OC)c3OC)CC2)c1 ZINC000160689342 307893568 /nfs/dbraw/zinc/89/35/68/307893568.db2.gz NKIJAACGSAALTC-UHFFFAOYSA-N 1 1 342.439 3.035 20 70 EGIDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000159513817 455382310 /nfs/dbraw/zinc/38/23/10/455382310.db2.gz RPEOUYPFKVQDDM-INIZCTEOSA-N 1 1 330.472 3.470 20 70 EGIDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C(C)C)nc3)sc2C1 ZINC000159647312 455393027 /nfs/dbraw/zinc/39/30/27/455393027.db2.gz ZJSAFBGJUAHTQX-UHFFFAOYSA-N 1 1 330.457 3.292 20 70 EGIDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(C(C)C)nc3)sc2C1 ZINC000159647312 455393029 /nfs/dbraw/zinc/39/30/29/455393029.db2.gz ZJSAFBGJUAHTQX-UHFFFAOYSA-N 1 1 330.457 3.292 20 70 EGIDMO Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)[nH+]1 ZINC000159712557 455397683 /nfs/dbraw/zinc/39/76/83/455397683.db2.gz ZBRKLOJAQXNUND-UHFFFAOYSA-N 1 1 333.794 3.145 20 70 EGIDMO CCCCn1ncc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1C ZINC000159944904 455417707 /nfs/dbraw/zinc/41/77/07/455417707.db2.gz YBVNJLPCIRXNAL-KRWDZBQOSA-N 1 1 347.507 3.378 20 70 EGIDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000160071611 455426498 /nfs/dbraw/zinc/42/64/98/455426498.db2.gz BZNJAZSAQJQJPX-INIZCTEOSA-N 1 1 347.503 3.350 20 70 EGIDMO CC[N@H+](Cc1c(C)nc2ccccn21)[C@H]1CCN(c2ccccc2)C1=O ZINC000160339144 455450049 /nfs/dbraw/zinc/45/00/49/455450049.db2.gz YSTDBRLBQSIIRA-SFHVURJKSA-N 1 1 348.450 3.270 20 70 EGIDMO CC[N@@H+](Cc1c(C)nc2ccccn21)[C@H]1CCN(c2ccccc2)C1=O ZINC000160339144 455450052 /nfs/dbraw/zinc/45/00/52/455450052.db2.gz YSTDBRLBQSIIRA-SFHVURJKSA-N 1 1 348.450 3.270 20 70 EGIDMO CC[C@H](NCC[N@H+](C)CCOC)c1ccccc1Br ZINC000159432444 455376634 /nfs/dbraw/zinc/37/66/34/455376634.db2.gz VBEWPLLDWCAJOW-HNNXBMFYSA-N 1 1 329.282 3.068 20 70 EGIDMO CC[C@H](NCC[N@@H+](C)CCOC)c1ccccc1Br ZINC000159432444 455376638 /nfs/dbraw/zinc/37/66/38/455376638.db2.gz VBEWPLLDWCAJOW-HNNXBMFYSA-N 1 1 329.282 3.068 20 70 EGIDMO C[N@@H+](CCCNC(=O)CCCc1nc(C2CC2)no1)C1CCCCC1 ZINC000159442367 455377356 /nfs/dbraw/zinc/37/73/56/455377356.db2.gz GKZHMVNXYABHME-UHFFFAOYSA-N 1 1 348.491 3.041 20 70 EGIDMO CCCCOc1ccc(CCNC(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000159606420 455388198 /nfs/dbraw/zinc/38/81/98/455388198.db2.gz VPXZCVOKXSEVSW-UHFFFAOYSA-N 1 1 347.503 3.145 20 70 EGIDMO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000159625579 455390087 /nfs/dbraw/zinc/39/00/87/455390087.db2.gz AXWDCNXQPGHIQV-RDJZCZTQSA-N 1 1 334.435 3.057 20 70 EGIDMO COc1cc(C[NH2+][C@H]2CCN(C)C[C@H]2C)ccc1OC1CCCC1 ZINC000160283789 455445047 /nfs/dbraw/zinc/44/50/47/455445047.db2.gz NASJRHDBYKFBLH-QAPCUYQASA-N 1 1 332.488 3.446 20 70 EGIDMO COc1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000160283789 455445050 /nfs/dbraw/zinc/44/50/50/455445050.db2.gz NASJRHDBYKFBLH-QAPCUYQASA-N 1 1 332.488 3.446 20 70 EGIDMO COc1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000160283789 455445053 /nfs/dbraw/zinc/44/50/53/455445053.db2.gz NASJRHDBYKFBLH-QAPCUYQASA-N 1 1 332.488 3.446 20 70 EGIDMO Cc1ccc(C[N@H+](C)Cc2ccccc2OCC(=O)N(C)C)cc1 ZINC000160637897 455482722 /nfs/dbraw/zinc/48/27/22/455482722.db2.gz KHPPABYAHSRNIP-UHFFFAOYSA-N 1 1 326.440 3.094 20 70 EGIDMO C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000160886222 455509716 /nfs/dbraw/zinc/50/97/16/455509716.db2.gz KOMRUEKRMYBQJX-WMZOPIPTSA-N 1 1 346.519 3.051 20 70 EGIDMO Fc1ccc(SCC[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161192369 455546453 /nfs/dbraw/zinc/54/64/53/455546453.db2.gz UWCAIFUTDLSHBE-UHFFFAOYSA-N 1 1 331.460 3.131 20 70 EGIDMO CCn1ccnc1C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161230786 455550452 /nfs/dbraw/zinc/55/04/52/455550452.db2.gz LFLDGDCXVAPHNT-UHFFFAOYSA-N 1 1 341.434 3.497 20 70 EGIDMO CCn1ccnc1C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161230786 455550454 /nfs/dbraw/zinc/55/04/54/455550454.db2.gz LFLDGDCXVAPHNT-UHFFFAOYSA-N 1 1 341.434 3.497 20 70 EGIDMO C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000161309856 455558376 /nfs/dbraw/zinc/55/83/76/455558376.db2.gz DNSOTWZEZLKDGQ-NEPJUHHUSA-N 1 1 339.277 3.152 20 70 EGIDMO CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 ZINC000161398080 455567171 /nfs/dbraw/zinc/56/71/71/455567171.db2.gz JUMLPCKWLAWJQL-CYBMUJFWSA-N 1 1 331.489 3.184 20 70 EGIDMO CC(C)c1nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 ZINC000161398080 455567176 /nfs/dbraw/zinc/56/71/76/455567176.db2.gz JUMLPCKWLAWJQL-CYBMUJFWSA-N 1 1 331.489 3.184 20 70 EGIDMO Cc1ccn(-c2ccccc2NC(=O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000161420751 455568887 /nfs/dbraw/zinc/56/88/87/455568887.db2.gz PLAMQMZRTLRZHO-UHFFFAOYSA-N 1 1 334.423 3.251 20 70 EGIDMO Cc1ccn(-c2ccccc2NC(=O)C[N@H+](C)Cc2ccccc2)n1 ZINC000161420751 455568892 /nfs/dbraw/zinc/56/88/92/455568892.db2.gz PLAMQMZRTLRZHO-UHFFFAOYSA-N 1 1 334.423 3.251 20 70 EGIDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000161464488 455572706 /nfs/dbraw/zinc/57/27/06/455572706.db2.gz YZFDRMIOVREPIV-INIZCTEOSA-N 1 1 348.487 3.173 20 70 EGIDMO COc1ccc(Br)cc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217664401 456033684 /nfs/dbraw/zinc/03/36/84/456033684.db2.gz PHXKKBYAGILBDN-GJZGRUSLSA-N 1 1 339.277 3.174 20 70 EGIDMO CCCN1CCC([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000159954435 546942659 /nfs/dbraw/zinc/94/26/59/546942659.db2.gz PKQQNECCNLUIJY-UHFFFAOYSA-N 1 1 335.458 3.115 20 70 EGIDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160841292 546950726 /nfs/dbraw/zinc/95/07/26/546950726.db2.gz RVIQXRQSLLEGEJ-VQTJNVASSA-N 1 1 338.451 3.378 20 70 EGIDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160841292 546950733 /nfs/dbraw/zinc/95/07/33/546950733.db2.gz RVIQXRQSLLEGEJ-VQTJNVASSA-N 1 1 338.451 3.378 20 70 EGIDMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000161468257 546955842 /nfs/dbraw/zinc/95/58/42/546955842.db2.gz MHGBHTKCCIFVIY-SFHVURJKSA-N 1 1 338.455 3.076 20 70 EGIDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000216717849 574770434 /nfs/dbraw/zinc/77/04/34/574770434.db2.gz NXLBBYLWVNPSBP-RDJZCZTQSA-N 1 1 346.471 3.417 20 70 EGIDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NCCc1cccs1 ZINC000159462343 206246564 /nfs/dbraw/zinc/24/65/64/206246564.db2.gz MODKWGJAUGZFFE-RYUDHWBXSA-N 1 1 338.423 3.424 20 70 EGIDMO COc1ccc([C@H](CO)[N@@H+](C)CCC(=O)c2ccc(C)cc2)cc1 ZINC000159666894 206258142 /nfs/dbraw/zinc/25/81/42/206258142.db2.gz RGRJYAWOXDFJPN-IBGZPJMESA-N 1 1 327.424 3.242 20 70 EGIDMO CC[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC000159456390 206247689 /nfs/dbraw/zinc/24/76/89/206247689.db2.gz HWUNQWMTNFOPBS-NXHRZFHOSA-N 1 1 330.472 3.274 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)NCc2oc3ccc(F)cc3c2C)CC1 ZINC000159757077 206262505 /nfs/dbraw/zinc/26/25/05/206262505.db2.gz BXCKMDOUWVLGJJ-UHFFFAOYSA-N 1 1 333.407 3.118 20 70 EGIDMO COCCC1(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000160067853 206278407 /nfs/dbraw/zinc/27/84/07/206278407.db2.gz RZJHAXNTZZTVTI-QGZVFWFLSA-N 1 1 347.503 3.013 20 70 EGIDMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)c1 ZINC000160161208 206282278 /nfs/dbraw/zinc/28/22/78/206282278.db2.gz GYTHRHNSUUOQHN-CQSZACIVSA-N 1 1 342.439 3.304 20 70 EGIDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC2(CCC2)C1 ZINC000160291559 206287777 /nfs/dbraw/zinc/28/77/77/206287777.db2.gz WHHKVCSUBSUYMD-UHFFFAOYSA-N 1 1 327.472 3.020 20 70 EGIDMO CC(C)(C)[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)C(N)=O ZINC000160525887 206301535 /nfs/dbraw/zinc/30/15/35/206301535.db2.gz HQJKADLDZYCTKS-AWEZNQCLSA-N 1 1 339.411 3.078 20 70 EGIDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000161159999 206331790 /nfs/dbraw/zinc/33/17/90/206331790.db2.gz SYPVMPJSTNFKMI-JKSUJKDBSA-N 1 1 341.455 3.178 20 70 EGIDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000161159999 206331795 /nfs/dbraw/zinc/33/17/95/206331795.db2.gz SYPVMPJSTNFKMI-JKSUJKDBSA-N 1 1 341.455 3.178 20 70 EGIDMO CC[N@H+](Cc1cc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000160578824 206304442 /nfs/dbraw/zinc/30/44/42/206304442.db2.gz GKOSOKARQQRSPV-INIZCTEOSA-N 1 1 335.494 3.424 20 70 EGIDMO CC[N@@H+](Cc1cc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000160578824 206304443 /nfs/dbraw/zinc/30/44/43/206304443.db2.gz GKOSOKARQQRSPV-INIZCTEOSA-N 1 1 335.494 3.424 20 70 EGIDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccncc2)CC1 ZINC000159985431 307883076 /nfs/dbraw/zinc/88/30/76/307883076.db2.gz LYFLAUJFOLJDAL-INIZCTEOSA-N 1 1 341.480 3.079 20 70 EGIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000160950271 455517007 /nfs/dbraw/zinc/51/70/07/455517007.db2.gz VBULQIJXUPDEFX-UHFFFAOYSA-N 1 1 347.908 3.254 20 70 EGIDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000159654094 455393711 /nfs/dbraw/zinc/39/37/11/455393711.db2.gz DDMQXHJTZXPBFZ-KRWDZBQOSA-N 1 1 344.499 3.442 20 70 EGIDMO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159795470 455404694 /nfs/dbraw/zinc/40/46/94/455404694.db2.gz NSJREDOUBAKWMO-INIZCTEOSA-N 1 1 325.456 3.062 20 70 EGIDMO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159795470 455404698 /nfs/dbraw/zinc/40/46/98/455404698.db2.gz NSJREDOUBAKWMO-INIZCTEOSA-N 1 1 325.456 3.062 20 70 EGIDMO Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159940967 455417782 /nfs/dbraw/zinc/41/77/82/455417782.db2.gz MZIDESGKNRRLHV-QGZVFWFLSA-N 1 1 340.471 3.236 20 70 EGIDMO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159940967 455417785 /nfs/dbraw/zinc/41/77/85/455417785.db2.gz MZIDESGKNRRLHV-QGZVFWFLSA-N 1 1 340.471 3.236 20 70 EGIDMO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159940967 455417791 /nfs/dbraw/zinc/41/77/91/455417791.db2.gz MZIDESGKNRRLHV-QGZVFWFLSA-N 1 1 340.471 3.236 20 70 EGIDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000160048174 455423967 /nfs/dbraw/zinc/42/39/67/455423967.db2.gz BTMMONWUBSHBQM-DNVCBOLYSA-N 1 1 330.472 3.148 20 70 EGIDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)nc1 ZINC000160099806 455428442 /nfs/dbraw/zinc/42/84/42/455428442.db2.gz SWQWELWDYIOCTH-LJQANCHMSA-N 1 1 339.483 3.113 20 70 EGIDMO COc1cccc(CCC[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000160214289 455438462 /nfs/dbraw/zinc/43/84/62/455438462.db2.gz GTTJTXDKXCZYJW-GOSISDBHSA-N 1 1 332.488 3.112 20 70 EGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCCCc2ccccc2)n1 ZINC000160443018 455459079 /nfs/dbraw/zinc/45/90/79/455459079.db2.gz HLANGKVRWBTTNI-HXUWFJFHSA-N 1 1 337.467 3.276 20 70 EGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCCCc2ccccc2)n1 ZINC000160443018 455459081 /nfs/dbraw/zinc/45/90/81/455459081.db2.gz HLANGKVRWBTTNI-HXUWFJFHSA-N 1 1 337.467 3.276 20 70 EGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)c2c1 ZINC000160578003 455476868 /nfs/dbraw/zinc/47/68/68/455476868.db2.gz HXUFTAGCNDDTKE-LBPRGKRZSA-N 1 1 340.423 3.400 20 70 EGIDMO CCCn1nc(C)c(C[NH+]2CCN(c3cccc(OC)c3)CC2)c1C ZINC000160682348 455487965 /nfs/dbraw/zinc/48/79/65/455487965.db2.gz KTAFGKFUOJITEY-UHFFFAOYSA-N 1 1 342.487 3.241 20 70 EGIDMO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160703225 455489857 /nfs/dbraw/zinc/48/98/57/455489857.db2.gz FGWSWZOXONRPKH-VNHYZAJKSA-N 1 1 337.261 3.098 20 70 EGIDMO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160703225 455489862 /nfs/dbraw/zinc/48/98/62/455489862.db2.gz FGWSWZOXONRPKH-VNHYZAJKSA-N 1 1 337.261 3.098 20 70 EGIDMO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnccn1 ZINC000159570205 455386251 /nfs/dbraw/zinc/38/62/51/455386251.db2.gz QQGQSZPPSCZDHB-QFBILLFUSA-N 1 1 346.434 3.377 20 70 EGIDMO CCCCOc1cccc(CNC(=O)N2CCC[N@@H+](CC)CC2)c1 ZINC000159605488 455388352 /nfs/dbraw/zinc/38/83/52/455388352.db2.gz VNJCHDPKXHWOPO-UHFFFAOYSA-N 1 1 333.476 3.103 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000159843076 455409408 /nfs/dbraw/zinc/40/94/08/455409408.db2.gz IIOJIXWAJHSUOT-UHFFFAOYSA-N 1 1 333.501 3.049 20 70 EGIDMO 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Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1N(C)C ZINC000160792069 455498495 /nfs/dbraw/zinc/49/84/95/455498495.db2.gz AIYGCTNPAMYLPA-CRAIPNDOSA-N 1 1 330.476 3.009 20 70 EGIDMO CC(C)(NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(F)c1 ZINC000160825541 455503028 /nfs/dbraw/zinc/50/30/28/455503028.db2.gz UJAPCTXFRXCTIH-MRXNPFEDSA-N 1 1 333.451 3.377 20 70 EGIDMO CCOCCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000159855252 455410293 /nfs/dbraw/zinc/41/02/93/455410293.db2.gz MWTZIMKJKRKUND-UHFFFAOYSA-N 1 1 339.867 3.306 20 70 EGIDMO COc1ccc(C[N@H+](C)Cc2c(OC)cc(OC)cc2OC)cc1 ZINC000159864664 455410490 /nfs/dbraw/zinc/41/04/90/455410490.db2.gz LLRAIGJKTQTRAL-UHFFFAOYSA-N 1 1 331.412 3.353 20 70 EGIDMO COc1ccc(C[N@@H+](C)Cc2c(OC)cc(OC)cc2OC)cc1 ZINC000159864664 455410495 /nfs/dbraw/zinc/41/04/95/455410495.db2.gz LLRAIGJKTQTRAL-UHFFFAOYSA-N 1 1 331.412 3.353 20 70 EGIDMO COc1cccc(C2(NC(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000160269666 455442375 /nfs/dbraw/zinc/44/23/75/455442375.db2.gz KUNJDCYTKJPSBP-HOTGVXAUSA-N 1 1 345.487 3.104 20 70 EGIDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CC(C)C)cc1 ZINC000160331473 455448673 /nfs/dbraw/zinc/44/86/73/455448673.db2.gz AEIAGJONCUSANF-MOPGFXCFSA-N 1 1 348.487 3.285 20 70 EGIDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160533187 455470942 /nfs/dbraw/zinc/47/09/42/455470942.db2.gz PKBLRSNCNGMLOB-LMMKCTJWSA-N 1 1 330.520 3.280 20 70 EGIDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000160571243 455475731 /nfs/dbraw/zinc/47/57/31/455475731.db2.gz KGJUETBTMNTBSB-NSHDSACASA-N 1 1 343.370 3.228 20 70 EGIDMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000160615169 455480618 /nfs/dbraw/zinc/48/06/18/455480618.db2.gz DVSRMEPHSJHYQR-NSHDSACASA-N 1 1 326.318 3.276 20 70 EGIDMO C[C@]1(CNc2ncnc3nc(N)ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000160802636 455499879 /nfs/dbraw/zinc/49/98/79/455499879.db2.gz ACVKIPPQKIDGSM-HXUWFJFHSA-N 1 1 348.454 3.074 20 70 EGIDMO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161061866 455528680 /nfs/dbraw/zinc/52/86/80/455528680.db2.gz JGFCDJMQHSZAFC-KRWDZBQOSA-N 1 1 329.831 3.362 20 70 EGIDMO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161061866 455528681 /nfs/dbraw/zinc/52/86/81/455528681.db2.gz JGFCDJMQHSZAFC-KRWDZBQOSA-N 1 1 329.831 3.362 20 70 EGIDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(Cl)cc1F)c1ccco1 ZINC000161056094 455528898 /nfs/dbraw/zinc/52/88/98/455528898.db2.gz SLKAHWGPAFJYPI-CYBMUJFWSA-N 1 1 328.746 3.244 20 70 EGIDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000161108086 455535311 /nfs/dbraw/zinc/53/53/11/455535311.db2.gz DDAMRLNOFGPBQO-LRDDRELGSA-N 1 1 346.862 3.189 20 70 EGIDMO CC(C)CO[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000161231714 455550256 /nfs/dbraw/zinc/55/02/56/455550256.db2.gz GTZFPYBDUSXVBT-MAUKXSAKSA-N 1 1 334.435 3.068 20 70 EGIDMO CC(C)CO[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000161231714 455550262 /nfs/dbraw/zinc/55/02/62/455550262.db2.gz GTZFPYBDUSXVBT-MAUKXSAKSA-N 1 1 334.435 3.068 20 70 EGIDMO Cn1cc(CCC[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cn1 ZINC000161231561 455550740 /nfs/dbraw/zinc/55/07/40/455550740.db2.gz QGPNILFMFMGDTP-UHFFFAOYSA-N 1 1 337.471 3.307 20 70 EGIDMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)n1-c1nccs1 ZINC000161367823 455564082 /nfs/dbraw/zinc/56/40/82/455564082.db2.gz UWSZXEUVGJYWOR-LRDDRELGSA-N 1 1 346.500 3.009 20 70 EGIDMO O=C(NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000161414563 455567744 /nfs/dbraw/zinc/56/77/44/455567744.db2.gz XOVXECGHQYBSEB-LJQANCHMSA-N 1 1 343.515 3.004 20 70 EGIDMO O=C(NC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000161414563 455567749 /nfs/dbraw/zinc/56/77/49/455567749.db2.gz XOVXECGHQYBSEB-LJQANCHMSA-N 1 1 343.515 3.004 20 70 EGIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000217142906 456031059 /nfs/dbraw/zinc/03/10/59/456031059.db2.gz FLYVGXHRADMBMI-INIZCTEOSA-N 1 1 342.487 3.192 20 70 EGIDMO Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000217307796 456032055 /nfs/dbraw/zinc/03/20/55/456032055.db2.gz OLKVSUOZPUQMPH-UHFFFAOYSA-N 1 1 337.467 3.065 20 70 EGIDMO Cc1ccc(CCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000217224243 456032900 /nfs/dbraw/zinc/03/29/00/456032900.db2.gz JSUBESJSPGWWTK-SFHVURJKSA-N 1 1 331.504 3.349 20 70 EGIDMO CS[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000159498454 534055322 /nfs/dbraw/zinc/05/53/22/534055322.db2.gz LTMFHAVWGQZMLJ-UXLLHSPISA-N 1 1 335.517 3.090 20 70 EGIDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000159500889 528996008 /nfs/dbraw/zinc/99/60/08/528996008.db2.gz XXBQGFVOEOKHGC-MRXNPFEDSA-N 1 1 328.416 3.323 20 70 EGIDMO C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000160537921 546948027 /nfs/dbraw/zinc/94/80/27/546948027.db2.gz UNJMPAZRJNFGHI-IAGOWNOFSA-N 1 1 325.456 3.212 20 70 EGIDMO C[NH+](C)[C@H](CNC(=O)N1CCOC2(C1)CCCCCC2)c1ccco1 ZINC000160694883 546949960 /nfs/dbraw/zinc/94/99/60/546949960.db2.gz UAMRIQMPOTWEJB-MRXNPFEDSA-N 1 1 349.475 3.017 20 70 EGIDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C2 ZINC000159445966 529831908 /nfs/dbraw/zinc/83/19/08/529831908.db2.gz DWVUSQKZRLXNSZ-JKSUJKDBSA-N 1 1 340.389 3.490 20 70 EGIDMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161092092 285110489 /nfs/dbraw/zinc/11/04/89/285110489.db2.gz WDGDCPZGAPAYGN-KRWDZBQOSA-N 1 1 325.456 3.341 20 70 EGIDMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161092092 285110491 /nfs/dbraw/zinc/11/04/91/285110491.db2.gz WDGDCPZGAPAYGN-KRWDZBQOSA-N 1 1 325.456 3.341 20 70 EGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000159409769 533649315 /nfs/dbraw/zinc/64/93/15/533649315.db2.gz CWAHFICBTIFOLA-CABCVRRESA-N 1 1 328.412 3.119 20 70 EGIDMO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc(F)c1F ZINC000159421546 225213749 /nfs/dbraw/zinc/21/37/49/225213749.db2.gz SMMRZOPIYVMFCM-NEPJUHHUSA-N 1 1 336.357 3.459 20 70 EGIDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2ccccc2O)CC1 ZINC000160152320 225349427 /nfs/dbraw/zinc/34/94/27/225349427.db2.gz KDROOVNDOKJUPO-QGZVFWFLSA-N 1 1 344.499 3.438 20 70 EGIDMO CCOCc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000159454864 264860609 /nfs/dbraw/zinc/86/06/09/264860609.db2.gz PNQDZVGEZRJLII-UHFFFAOYSA-N 1 1 330.432 3.282 20 70 EGIDMO COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000161348113 264891452 /nfs/dbraw/zinc/89/14/52/264891452.db2.gz DQVJLBKBCBNWAK-DNVCBOLYSA-N 1 1 326.440 3.059 20 70 EGIDMO CCOCC[NH+]1CCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000159726068 307878385 /nfs/dbraw/zinc/87/83/85/307878385.db2.gz JDIWNTLPRYEOCF-GOSISDBHSA-N 1 1 332.488 3.059 20 70 EGIDMO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159766678 455401923 /nfs/dbraw/zinc/40/19/23/455401923.db2.gz OMAPVSSVANCATD-OAHLLOKOSA-N 1 1 343.446 3.028 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(C)cc2OC(C)(C)C)CC1 ZINC000159960924 455418737 /nfs/dbraw/zinc/41/87/37/455418737.db2.gz POJJLNHWAUNYHK-UHFFFAOYSA-N 1 1 347.503 3.410 20 70 EGIDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1N(C)C ZINC000160792323 455498516 /nfs/dbraw/zinc/49/85/16/455498516.db2.gz AIYGCTNPAMYLPA-MAUKXSAKSA-N 1 1 330.476 3.009 20 70 EGIDMO COC(=O)c1sc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159453991 455378130 /nfs/dbraw/zinc/37/81/30/455378130.db2.gz QSAXRWHHUQOVCF-WFASDCNBSA-N 1 1 333.453 3.281 20 70 EGIDMO COc1c(C)c[nH+]c(CN2CCO[C@]3(CCc4ccccc43)C2)c1C ZINC000159552576 455385468 /nfs/dbraw/zinc/38/54/68/455385468.db2.gz VBPFVGDNBVGZGY-OAQYLSRUSA-N 1 1 338.451 3.381 20 70 EGIDMO Cc1cc(C)cc(CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000160310298 455447224 /nfs/dbraw/zinc/44/72/24/455447224.db2.gz ZTAYWQJCXBIAOX-UHFFFAOYSA-N 1 1 346.515 3.053 20 70 EGIDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000160308720 455447275 /nfs/dbraw/zinc/44/72/75/455447275.db2.gz IWLFZTQUAOUZIR-AWEZNQCLSA-N 1 1 349.228 3.159 20 70 EGIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000160308720 455447281 /nfs/dbraw/zinc/44/72/81/455447281.db2.gz IWLFZTQUAOUZIR-AWEZNQCLSA-N 1 1 349.228 3.159 20 70 EGIDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160474514 455463778 /nfs/dbraw/zinc/46/37/78/455463778.db2.gz QXLUWQUADSVOAP-CQSZACIVSA-N 1 1 332.341 3.257 20 70 EGIDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160474514 455463784 /nfs/dbraw/zinc/46/37/84/455463784.db2.gz QXLUWQUADSVOAP-CQSZACIVSA-N 1 1 332.341 3.257 20 70 EGIDMO Cc1ccccc1C[N@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000160523190 455469290 /nfs/dbraw/zinc/46/92/90/455469290.db2.gz MFFATPSGXDMKQT-UHFFFAOYSA-N 1 1 326.440 3.094 20 70 EGIDMO Cc1cccc2[nH]cc(CC(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)c21 ZINC000160582858 455477589 /nfs/dbraw/zinc/47/75/89/455477589.db2.gz JKIGVBXCWYNXMG-QGZVFWFLSA-N 1 1 327.472 3.255 20 70 EGIDMO CC[N@@H+](C)[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000160628157 455482441 /nfs/dbraw/zinc/48/24/41/455482441.db2.gz JMGQQAGPOCKIND-SFHVURJKSA-N 1 1 326.396 3.071 20 70 EGIDMO CCN(C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1)CC(F)(F)F ZINC000160945750 455516625 /nfs/dbraw/zinc/51/66/25/455516625.db2.gz WIZLRLURSOZMQB-CQSZACIVSA-N 1 1 340.393 3.040 20 70 EGIDMO CC(C)(C)NC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161037619 455525620 /nfs/dbraw/zinc/52/56/20/455525620.db2.gz GWXZGMMLMAKSGC-INIZCTEOSA-N 1 1 341.459 3.250 20 70 EGIDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161157931 455541436 /nfs/dbraw/zinc/54/14/36/455541436.db2.gz ORUKQIBWILQHQS-WWGRRREGSA-N 1 1 330.394 3.446 20 70 EGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161157931 455541442 /nfs/dbraw/zinc/54/14/42/455541442.db2.gz ORUKQIBWILQHQS-WWGRRREGSA-N 1 1 330.394 3.446 20 70 EGIDMO CC(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000161194867 455546373 /nfs/dbraw/zinc/54/63/73/455546373.db2.gz DSNOOZJPHANUEZ-INIZCTEOSA-N 1 1 335.496 3.029 20 70 EGIDMO CCC[N@@H+](CCO)Cc1cc(Br)c(OC)c(OCC)c1 ZINC000161217787 455549207 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C[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000159563909 533649886 /nfs/dbraw/zinc/64/98/86/533649886.db2.gz JBPNNZQYSNEULV-ZJUUUORDSA-N 1 1 329.322 3.129 20 70 EGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000159563909 533649890 /nfs/dbraw/zinc/64/98/90/533649890.db2.gz JBPNNZQYSNEULV-ZJUUUORDSA-N 1 1 329.322 3.129 20 70 EGIDMO CN(C)C(=O)Sc1cccc(CSCC[NH+]2CCOCC2)c1 ZINC000159770780 225274520 /nfs/dbraw/zinc/27/45/20/225274520.db2.gz ICJVCRIVSMEMJI-UHFFFAOYSA-N 1 1 340.514 3.026 20 70 EGIDMO C[C@@H](CCn1cccn1)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000159413724 533698137 /nfs/dbraw/zinc/69/81/37/533698137.db2.gz MPHWSUQJYBUMEF-RCCFBDPRSA-N 1 1 342.487 3.383 20 70 EGIDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000160048048 455424516 /nfs/dbraw/zinc/42/45/16/455424516.db2.gz BTMMONWUBSHBQM-KXBFYZLASA-N 1 1 330.472 3.148 20 70 EGIDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccnc(Cl)c1F ZINC000160399051 455455162 /nfs/dbraw/zinc/45/51/62/455455162.db2.gz ZSQBXRJCUJXPKJ-GFCCVEGCSA-N 1 1 337.782 3.034 20 70 EGIDMO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[N@H+]1CCC[C@@H](C)C1 ZINC000160545025 455473140 /nfs/dbraw/zinc/47/31/40/455473140.db2.gz WIYWOXKSJSZQCH-OCVGTWLNSA-N 1 1 336.426 3.305 20 70 EGIDMO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160703106 455489603 /nfs/dbraw/zinc/48/96/03/455489603.db2.gz FGWSWZOXONRPKH-GUTXKFCHSA-N 1 1 337.261 3.098 20 70 EGIDMO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160703106 455489606 /nfs/dbraw/zinc/48/96/06/455489606.db2.gz FGWSWZOXONRPKH-GUTXKFCHSA-N 1 1 337.261 3.098 20 70 EGIDMO COc1c(C)c[nH+]c(CN2CCO[C@@]3(CCc4ccccc43)C2)c1C ZINC000159552725 455384790 /nfs/dbraw/zinc/38/47/90/455384790.db2.gz VBPFVGDNBVGZGY-NRFANRHFSA-N 1 1 338.451 3.381 20 70 EGIDMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnccn1 ZINC000159570067 455386381 /nfs/dbraw/zinc/38/63/81/455386381.db2.gz QQGQSZPPSCZDHB-APWZRJJASA-N 1 1 346.434 3.377 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000159809128 455406100 /nfs/dbraw/zinc/40/61/00/455406100.db2.gz CBSUVIXTHKWWLL-UHFFFAOYSA-N 1 1 335.879 3.109 20 70 EGIDMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159841714 455408930 /nfs/dbraw/zinc/40/89/30/455408930.db2.gz LNESJKYNKKEIBY-MRXNPFEDSA-N 1 1 337.467 3.162 20 70 EGIDMO CC[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000159843278 455409144 /nfs/dbraw/zinc/40/91/44/455409144.db2.gz JZCYXYXPRYADAS-YOEHRIQHSA-N 1 1 335.517 3.358 20 70 EGIDMO CC[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000159843527 455409509 /nfs/dbraw/zinc/40/95/09/455409509.db2.gz JZCYXYXPRYADAS-WMLDXEAASA-N 1 1 335.517 3.358 20 70 EGIDMO CCN(C(=O)NCCCSC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160299940 455446027 /nfs/dbraw/zinc/44/60/27/455446027.db2.gz CLHYKJKXMOHKJF-KRWDZBQOSA-N 1 1 335.517 3.046 20 70 EGIDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000160354609 455450699 /nfs/dbraw/zinc/45/06/99/455450699.db2.gz KZWCLKBSXJHLFX-QGZVFWFLSA-N 1 1 332.350 3.207 20 70 EGIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000160354609 455450702 /nfs/dbraw/zinc/45/07/02/455450702.db2.gz KZWCLKBSXJHLFX-QGZVFWFLSA-N 1 1 332.350 3.207 20 70 EGIDMO CC1CCN(c2ccc(CN[C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486454 455466149 /nfs/dbraw/zinc/46/61/49/455466149.db2.gz QOXNWQITPWYTFF-SCTDSRPQSA-N 1 1 330.520 3.136 20 70 EGIDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc2c[nH]nc2c1 ZINC000160644254 455484224 /nfs/dbraw/zinc/48/42/24/455484224.db2.gz XQBWCXKUBPGEQO-UHFFFAOYSA-N 1 1 338.411 3.032 20 70 EGIDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc2c[nH]nc2c1 ZINC000160644254 455484231 /nfs/dbraw/zinc/48/42/31/455484231.db2.gz XQBWCXKUBPGEQO-UHFFFAOYSA-N 1 1 338.411 3.032 20 70 EGIDMO COc1cccc(N2CC[NH+](Cc3ccc(OC)cc3OC)CC2)c1 ZINC000160681089 455487142 /nfs/dbraw/zinc/48/71/42/455487142.db2.gz XLSOUHMUNMOSSJ-UHFFFAOYSA-N 1 1 342.439 3.035 20 70 EGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCOC2=O)c1 ZINC000161067921 455529994 /nfs/dbraw/zinc/52/99/94/455529994.db2.gz DDAJKIVSXBMRNT-PVAVHDDUSA-N 1 1 331.460 3.167 20 70 EGIDMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](CC)Cc1ccccn1 ZINC000161168042 455543032 /nfs/dbraw/zinc/54/30/32/455543032.db2.gz VNAQPOWMQXWJMC-MRXNPFEDSA-N 1 1 330.432 3.397 20 70 EGIDMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)Cc1ccccn1 ZINC000161168042 455543035 /nfs/dbraw/zinc/54/30/35/455543035.db2.gz VNAQPOWMQXWJMC-MRXNPFEDSA-N 1 1 330.432 3.397 20 70 EGIDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2OC2CCCCC2)C1 ZINC000161329023 455560174 /nfs/dbraw/zinc/56/01/74/455560174.db2.gz UKZTYIPSTMDJBK-MRXNPFEDSA-N 1 1 330.472 3.470 20 70 EGIDMO CCCn1c(C)nnc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000161363373 455562757 /nfs/dbraw/zinc/56/27/57/455562757.db2.gz LCLNWECZOLHGRD-KRWDZBQOSA-N 1 1 347.551 3.473 20 70 EGIDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)n1-c1nccs1 ZINC000161367685 455564047 /nfs/dbraw/zinc/56/40/47/455564047.db2.gz UWSZXEUVGJYWOR-BLLLJJGKSA-N 1 1 346.500 3.009 20 70 EGIDMO CCOc1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161399880 455566441 /nfs/dbraw/zinc/56/64/41/455566441.db2.gz KDDYQOWOTQKNJS-INIZCTEOSA-N 1 1 326.444 3.003 20 70 EGIDMO CCN(CC)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000161409790 455567653 /nfs/dbraw/zinc/56/76/53/455567653.db2.gz LNCJDJYJMQZKSK-GOSISDBHSA-N 1 1 343.471 3.154 20 70 EGIDMO Cc1sc2[nH]c(C[N@H+](C)CCc3ccccc3)nc(=O)c2c1C ZINC000161421535 455569129 /nfs/dbraw/zinc/56/91/29/455569129.db2.gz YUWWDYBKVVNJBX-UHFFFAOYSA-N 1 1 327.453 3.276 20 70 EGIDMO Cc1sc2[nH]c(C[N@@H+](C)CCc3ccccc3)nc(=O)c2c1C ZINC000161421535 455569131 /nfs/dbraw/zinc/56/91/31/455569131.db2.gz YUWWDYBKVVNJBX-UHFFFAOYSA-N 1 1 327.453 3.276 20 70 EGIDMO CS[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159498330 534055777 /nfs/dbraw/zinc/05/57/77/534055777.db2.gz LTMFHAVWGQZMLJ-INMHGKMJSA-N 1 1 335.517 3.090 20 70 EGIDMO CCCCS(=O)(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160018265 528712689 /nfs/dbraw/zinc/71/26/89/528712689.db2.gz MKFRLPXDLNSQHT-SJLPKXTDSA-N 1 1 338.517 3.101 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000159881486 529029218 /nfs/dbraw/zinc/02/92/18/529029218.db2.gz GNKKSCFHOCORDN-LBPRGKRZSA-N 1 1 327.831 3.277 20 70 EGIDMO CC[C@@H](C(=O)Oc1ccc(NC(=O)c2ccc(C)cc2)cc1)[NH+](C)C ZINC000161170507 529298526 /nfs/dbraw/zinc/29/85/26/529298526.db2.gz FXYAJWHPSFRYRA-SFHVURJKSA-N 1 1 340.423 3.493 20 70 EGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(OC(F)F)c1 ZINC000160393347 546947098 /nfs/dbraw/zinc/94/70/98/546947098.db2.gz NQWZNTRDILEYFW-OAHLLOKOSA-N 1 1 340.414 3.067 20 70 EGIDMO CC[N@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160574659 546948685 /nfs/dbraw/zinc/94/86/85/546948685.db2.gz AUZACXGGUJOZDB-LJQANCHMSA-N 1 1 329.465 3.363 20 70 EGIDMO CC[N@@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160574659 546948690 /nfs/dbraw/zinc/94/86/90/546948690.db2.gz AUZACXGGUJOZDB-LJQANCHMSA-N 1 1 329.465 3.363 20 70 EGIDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000159449373 533535314 /nfs/dbraw/zinc/53/53/14/533535314.db2.gz OVNHHUOMEMHVKT-GHMZBOCLSA-N 1 1 348.349 3.371 20 70 EGIDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(CCC(F)(F)F)cc1 ZINC000160135188 225344672 /nfs/dbraw/zinc/34/46/72/225344672.db2.gz URLVFLFGRBMZJT-AWEZNQCLSA-N 1 1 340.389 3.396 20 70 EGIDMO C[NH+](C)[C@H](CNC(=O)c1cncc(-c2ccccc2)c1)c1ccco1 ZINC000159508058 307874963 /nfs/dbraw/zinc/87/49/63/307874963.db2.gz WCSMZIKARZXOEA-GOSISDBHSA-N 1 1 335.407 3.374 20 70 EGIDMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159748437 455400754 /nfs/dbraw/zinc/40/07/54/455400754.db2.gz YYGCHIZNKIAMNL-FXAWDEMLSA-N 1 1 326.440 3.275 20 70 EGIDMO CCCn1c(C)nnc1C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000160687319 455488191 /nfs/dbraw/zinc/48/81/91/455488191.db2.gz QYHNDXUIBFVTHU-GOSISDBHSA-N 1 1 330.476 3.016 20 70 EGIDMO CCCn1c(C)nnc1C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000160687319 455488193 /nfs/dbraw/zinc/48/81/93/455488193.db2.gz QYHNDXUIBFVTHU-GOSISDBHSA-N 1 1 330.476 3.016 20 70 EGIDMO Cc1cc(-c2noc([C@H](C)[N@@H+](C)C[C@@H]3CCC[C@@H]3O)n2)ccc1F ZINC000159453101 455378602 /nfs/dbraw/zinc/37/86/02/455378602.db2.gz YLUDLZBYRNZXKE-NOLJZWGESA-N 1 1 333.407 3.338 20 70 EGIDMO CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000160220084 455439394 /nfs/dbraw/zinc/43/93/94/455439394.db2.gz YTSHOGSTNYWYBD-QGZVFWFLSA-N 1 1 338.407 3.043 20 70 EGIDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000160354762 455450915 /nfs/dbraw/zinc/45/09/15/455450915.db2.gz KZWCLKBSXJHLFX-KRWDZBQOSA-N 1 1 332.350 3.207 20 70 EGIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000160354762 455450918 /nfs/dbraw/zinc/45/09/18/455450918.db2.gz KZWCLKBSXJHLFX-KRWDZBQOSA-N 1 1 332.350 3.207 20 70 EGIDMO COCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000160442237 455459456 /nfs/dbraw/zinc/45/94/56/455459456.db2.gz LOBDNWGMVKIUSB-UHFFFAOYSA-N 1 1 345.439 3.361 20 70 EGIDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000160442237 455459461 /nfs/dbraw/zinc/45/94/61/455459461.db2.gz LOBDNWGMVKIUSB-UHFFFAOYSA-N 1 1 345.439 3.361 20 70 EGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3ccccc3)c2c1 ZINC000160464821 455462006 /nfs/dbraw/zinc/46/20/06/455462006.db2.gz UUPQNPCLGCKEJV-UHFFFAOYSA-N 1 1 336.391 3.269 20 70 EGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3ccccc3)c2c1 ZINC000160464821 455462009 /nfs/dbraw/zinc/46/20/09/455462009.db2.gz UUPQNPCLGCKEJV-UHFFFAOYSA-N 1 1 336.391 3.269 20 70 EGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3sccc3C2)n1 ZINC000160466877 455462729 /nfs/dbraw/zinc/46/27/29/455462729.db2.gz BZWLUBLEOKAHIX-QGZVFWFLSA-N 1 1 341.480 3.173 20 70 EGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3sccc3C2)n1 ZINC000160466877 455462734 /nfs/dbraw/zinc/46/27/34/455462734.db2.gz BZWLUBLEOKAHIX-QGZVFWFLSA-N 1 1 341.480 3.173 20 70 EGIDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000160522156 455470023 /nfs/dbraw/zinc/47/00/23/455470023.db2.gz MVKMCVYDCZCYLI-INIZCTEOSA-N 1 1 346.438 3.065 20 70 EGIDMO CC(C)OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160538510 455471863 /nfs/dbraw/zinc/47/18/63/455471863.db2.gz LGTCUVCMRDNNBQ-XYPWUTKMSA-N 1 1 326.481 3.274 20 70 EGIDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000160559209 455473977 /nfs/dbraw/zinc/47/39/77/455473977.db2.gz WEPJWGQQCBXIPD-JTWUUNPKSA-N 1 1 348.462 3.018 20 70 EGIDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Br)cc2)c[nH]1 ZINC000160801502 455499773 /nfs/dbraw/zinc/49/97/73/455499773.db2.gz ZZFNIZLNNBEFME-UHFFFAOYSA-N 1 1 337.217 3.196 20 70 EGIDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160924180 455513904 /nfs/dbraw/zinc/51/39/04/455513904.db2.gz GCIWSEFBVMIHHI-FUHWJXTLSA-N 1 1 332.492 3.372 20 70 EGIDMO CC[N@H+](Cc1ccc(OC)c(O)c1)C[C@@H]1COc2ccccc2O1 ZINC000160952246 455517958 /nfs/dbraw/zinc/51/79/58/455517958.db2.gz DNSWJCBAOUEFDZ-OAHLLOKOSA-N 1 1 329.396 3.063 20 70 EGIDMO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160973039 455519557 /nfs/dbraw/zinc/51/95/57/455519557.db2.gz ZNZVBRKZNSDJBP-OAHLLOKOSA-N 1 1 344.459 3.084 20 70 EGIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000161096297 455532751 /nfs/dbraw/zinc/53/27/51/455532751.db2.gz CBOVGYYFXWHOSA-SJORKVTESA-N 1 1 325.456 3.212 20 70 EGIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000161096297 455532758 /nfs/dbraw/zinc/53/27/58/455532758.db2.gz CBOVGYYFXWHOSA-SJORKVTESA-N 1 1 325.456 3.212 20 70 EGIDMO CCc1nnc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)o1 ZINC000161234857 455551533 /nfs/dbraw/zinc/55/15/33/455551533.db2.gz WRVMQWVWIWSYLR-UHFFFAOYSA-N 1 1 325.416 3.087 20 70 EGIDMO CCc1nnc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)o1 ZINC000161234857 455551535 /nfs/dbraw/zinc/55/15/35/455551535.db2.gz WRVMQWVWIWSYLR-UHFFFAOYSA-N 1 1 325.416 3.087 20 70 EGIDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000160218782 527932906 /nfs/dbraw/zinc/93/29/06/527932906.db2.gz MISKGLJSUCRDCF-SFHVURJKSA-N 1 1 332.488 3.256 20 70 EGIDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159874720 528441769 /nfs/dbraw/zinc/44/17/69/528441769.db2.gz RQGCYTSNBPMZKA-AWEZNQCLSA-N 1 1 345.418 3.219 20 70 EGIDMO COc1ccc(O)c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000218525721 547240439 /nfs/dbraw/zinc/24/04/39/547240439.db2.gz ULEHIGGNWQNBSH-MRXNPFEDSA-N 1 1 348.830 3.087 20 70 EGIDMO COc1cc(-c2nc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)cs2)ccc1O ZINC000159777626 533454820 /nfs/dbraw/zinc/45/48/20/533454820.db2.gz SBHZDBJDMZLLMK-ZFWWWQNUSA-N 1 1 348.468 3.117 20 70 EGIDMO COc1ccc(C)cc1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159811498 533395823 /nfs/dbraw/zinc/39/58/23/533395823.db2.gz WJVQBJYADYVRLT-UHFFFAOYSA-N 1 1 341.455 3.140 20 70 EGIDMO COc1ccc(C)cc1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159811498 533395826 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20 70 EGIDMO CC(C)CCn1ccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000161074630 455529921 /nfs/dbraw/zinc/52/99/21/455529921.db2.gz KOYJFAHJQWFOLV-UHFFFAOYSA-N 1 1 343.475 3.183 20 70 EGIDMO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000161118826 455535902 /nfs/dbraw/zinc/53/59/02/455535902.db2.gz LKHDCGVCEOUFPA-GOEBONIOSA-N 1 1 346.500 3.056 20 70 EGIDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000161118826 455535906 /nfs/dbraw/zinc/53/59/06/455535906.db2.gz LKHDCGVCEOUFPA-GOEBONIOSA-N 1 1 346.500 3.056 20 70 EGIDMO COc1ccccc1[C@H]([NH3+])C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000161256227 455552771 /nfs/dbraw/zinc/55/27/71/455552771.db2.gz MGHKKKVXJPVABP-IBGZPJMESA-N 1 1 340.467 3.440 20 70 EGIDMO Cc1nc(CC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)s1 ZINC000161356976 455562059 /nfs/dbraw/zinc/56/20/59/455562059.db2.gz NIFXPDFXXCAQIP-BETUJISGSA-N 1 1 337.533 3.175 20 70 EGIDMO CCN(C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000161396636 455565606 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/nfs/dbraw/zinc/94/88/12/546948812.db2.gz GCPRNWJOBUBULT-YLJYHZDGSA-N 1 1 337.467 3.356 20 70 EGIDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160849652 546951304 /nfs/dbraw/zinc/95/13/04/546951304.db2.gz JIPDTBIMPPOBNV-NHYWBVRUSA-N 1 1 335.835 3.078 20 70 EGIDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160849652 546951306 /nfs/dbraw/zinc/95/13/06/546951306.db2.gz JIPDTBIMPPOBNV-NHYWBVRUSA-N 1 1 335.835 3.078 20 70 EGIDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)NC1CCCCC1 ZINC000216718312 574770409 /nfs/dbraw/zinc/77/04/09/574770409.db2.gz JAZVOXZTTCFKDN-CQSZACIVSA-N 1 1 332.444 3.075 20 70 EGIDMO CCc1cccc(NC(=O)CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000216733561 574808822 /nfs/dbraw/zinc/80/88/22/574808822.db2.gz FJIQQTKYFSTISK-HXUWFJFHSA-N 1 1 337.467 3.176 20 70 EGIDMO CCc1cccc(NC(=O)CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000216733561 574808823 /nfs/dbraw/zinc/80/88/23/574808823.db2.gz FJIQQTKYFSTISK-HXUWFJFHSA-N 1 1 337.467 3.176 20 70 EGIDMO Cc1ccc(C(=O)CC[NH+]2CCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000159800725 225279410 /nfs/dbraw/zinc/27/94/10/225279410.db2.gz DBRDWZDQISTRLH-GOSISDBHSA-N 1 1 337.467 3.342 20 70 EGIDMO COCCC1(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000160067735 225330439 /nfs/dbraw/zinc/33/04/39/225330439.db2.gz RZJHAXNTZZTVTI-KRWDZBQOSA-N 1 1 347.503 3.013 20 70 EGIDMO Cc1ncc([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c(C)n1 ZINC000160698745 302702408 /nfs/dbraw/zinc/70/24/08/302702408.db2.gz MREWLKZPXBRGJR-BEFAXECRSA-N 1 1 338.455 3.108 20 70 EGIDMO CCCCn1ncc(NC(=O)NCCCCn2cc[nH+]c2C)c1C ZINC000160169561 307885778 /nfs/dbraw/zinc/88/57/78/307885778.db2.gz SPTTZCVRXLCJSJ-UHFFFAOYSA-N 1 1 332.452 3.098 20 70 EGIDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000160993582 307897013 /nfs/dbraw/zinc/89/70/13/307897013.db2.gz QJOOBXHHBWUMGD-ZDUSSCGKSA-N 1 1 333.457 3.236 20 70 EGIDMO CCn1c(=O)c2cc(F)ccc2nc1SCCCn1cc[nH+]c1C ZINC000159505736 455381680 /nfs/dbraw/zinc/38/16/80/455381680.db2.gz NSUVVOGIJZBGEY-UHFFFAOYSA-N 1 1 346.431 3.243 20 70 EGIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2[nH]c3ccccc3c2C1 ZINC000159577620 455387100 /nfs/dbraw/zinc/38/71/00/455387100.db2.gz XTXDWDWWCUJGKQ-YWZLYKJASA-N 1 1 337.467 3.317 20 70 EGIDMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159747352 455400369 /nfs/dbraw/zinc/40/03/69/455400369.db2.gz YIIISMFMVLMORV-WBAXXEDZSA-N 1 1 332.488 3.231 20 70 EGIDMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783092 455403476 /nfs/dbraw/zinc/40/34/76/455403476.db2.gz FOPVPSCQFCXDMH-OAHLLOKOSA-N 1 1 343.446 3.028 20 70 EGIDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000160210648 455438554 /nfs/dbraw/zinc/43/85/54/455438554.db2.gz IFICABVRJVRBSW-WBVHZDCISA-N 1 1 327.428 3.084 20 70 EGIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)[nH]1 ZINC000160382262 455452820 /nfs/dbraw/zinc/45/28/20/455452820.db2.gz HLYGBAHNHIYRCH-SNVBAGLBSA-N 1 1 328.338 3.159 20 70 EGIDMO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000160378307 455453236 /nfs/dbraw/zinc/45/32/36/455453236.db2.gz LTWLUMJHAWEFAN-HFTRVMKXSA-N 1 1 334.891 3.461 20 70 EGIDMO CN(Cc1cccc(Cl)c1Cl)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000160780212 455498139 /nfs/dbraw/zinc/49/81/39/455498139.db2.gz OTXGGUBATFSSRV-GFCCVEGCSA-N 1 1 347.311 3.389 20 70 EGIDMO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000159397177 455374338 /nfs/dbraw/zinc/37/43/38/455374338.db2.gz QABWRTPPDCHGCM-AWEZNQCLSA-N 1 1 336.439 3.422 20 70 EGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000159404350 455375637 /nfs/dbraw/zinc/37/56/37/455375637.db2.gz FCBUOTBWDAIJEB-GJZGRUSLSA-N 1 1 344.480 3.477 20 70 EGIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1N1CCCC1=O ZINC000159599622 455387930 /nfs/dbraw/zinc/38/79/30/455387930.db2.gz ZVGPCMMVUAFHKI-RDJZCZTQSA-N 1 1 341.455 3.016 20 70 EGIDMO COc1cccc(C[N@@H+](CCOCC2CC2)C2CCC(O)CC2)c1 ZINC000160203036 455437431 /nfs/dbraw/zinc/43/74/31/455437431.db2.gz WVTIBPRCFONTDF-UHFFFAOYSA-N 1 1 333.472 3.227 20 70 EGIDMO Cc1cccc2c(CCC(=O)NCC[N@@H+]3CCC[C@H](C)C3)c[nH]c21 ZINC000160586698 455477416 /nfs/dbraw/zinc/47/74/16/455477416.db2.gz HVWPQLSTKPKWAW-HNNXBMFYSA-N 1 1 327.472 3.257 20 70 EGIDMO CCOCCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000160665771 455485539 /nfs/dbraw/zinc/48/55/39/455485539.db2.gz NPWJNADVWOCTOH-KRWDZBQOSA-N 1 1 339.524 3.099 20 70 EGIDMO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccnc1Cl ZINC000160936133 455515435 /nfs/dbraw/zinc/51/54/35/455515435.db2.gz BCWBOZPKJJKCHB-LBPRGKRZSA-N 1 1 338.860 3.130 20 70 EGIDMO CC(=O)Nc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000160944848 455516563 /nfs/dbraw/zinc/51/65/63/455516563.db2.gz ZTXARFYYWDCPSL-SFHVURJKSA-N 1 1 346.475 3.277 20 70 EGIDMO CCc1cc(=O)[nH]c(C[N@H+](CCCCOC)Cc2ccccc2)n1 ZINC000161006450 455523356 /nfs/dbraw/zinc/52/33/56/455523356.db2.gz XOXGCXICPUWKPH-UHFFFAOYSA-N 1 1 329.444 3.173 20 70 EGIDMO CCc1cc(=O)[nH]c(C[N@@H+](CCCCOC)Cc2ccccc2)n1 ZINC000161006450 455523359 /nfs/dbraw/zinc/52/33/59/455523359.db2.gz XOXGCXICPUWKPH-UHFFFAOYSA-N 1 1 329.444 3.173 20 70 EGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)[C@@H](C)C3(C)CC3)c2c1 ZINC000161495283 455575329 /nfs/dbraw/zinc/57/53/29/455575329.db2.gz KZLUSLFXBJBTMG-LBPRGKRZSA-N 1 1 328.412 3.258 20 70 EGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc2cccc(F)c2o1 ZINC000159884258 546941506 /nfs/dbraw/zinc/94/15/06/546941506.db2.gz OKJUOLYVEGYWJE-UHFFFAOYSA-N 1 1 348.418 3.002 20 70 EGIDMO Cc1nc(C)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000159481233 225227106 /nfs/dbraw/zinc/22/71/06/225227106.db2.gz YEONXFOYTPMUMI-UHFFFAOYSA-N 1 1 325.478 3.203 20 70 EGIDMO Cc1nc(C)c(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000159481233 225227112 /nfs/dbraw/zinc/22/71/12/225227112.db2.gz YEONXFOYTPMUMI-UHFFFAOYSA-N 1 1 325.478 3.203 20 70 EGIDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c1 ZINC000159744297 225271179 /nfs/dbraw/zinc/27/11/79/225271179.db2.gz LHVZIFHDVIXPEL-GOSISDBHSA-N 1 1 349.438 3.219 20 70 EGIDMO CC[C@H](C)[N@@H+](C)CCNCc1cc(Br)ccc1OC ZINC000217379757 266194682 /nfs/dbraw/zinc/19/46/82/266194682.db2.gz BRXFKPLZNRNMMI-LBPRGKRZSA-N 1 1 329.282 3.278 20 70 EGIDMO CCCn1c(C)nnc1C[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000159579872 276057832 /nfs/dbraw/zinc/05/78/32/276057832.db2.gz BTVPHGNNOCARFB-GOSISDBHSA-N 1 1 348.466 3.327 20 70 EGIDMO CCCn1c(C)nnc1C[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000159579872 276057833 /nfs/dbraw/zinc/05/78/33/276057833.db2.gz BTVPHGNNOCARFB-GOSISDBHSA-N 1 1 348.466 3.327 20 70 EGIDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000160998332 455522552 /nfs/dbraw/zinc/52/25/52/455522552.db2.gz IWDMUYKJJYNHEU-PWSUYJOCSA-N 1 1 338.249 3.061 20 70 EGIDMO CCCCn1ncc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c1C ZINC000159609674 455389573 /nfs/dbraw/zinc/38/95/73/455389573.db2.gz XAUZUWXPWIVKRS-UHFFFAOYSA-N 1 1 343.475 3.245 20 70 EGIDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000159871065 455411639 /nfs/dbraw/zinc/41/16/39/455411639.db2.gz UCBMUASFJUJPQG-HNNXBMFYSA-N 1 1 343.423 3.268 20 70 EGIDMO CCC[C@@H](C(=O)OCC)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160044867 455424348 /nfs/dbraw/zinc/42/43/48/455424348.db2.gz HXFIZFNGBGJIPU-SFHVURJKSA-N 1 1 347.503 3.352 20 70 EGIDMO COc1cccc(C2(NC(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000160269580 455442734 /nfs/dbraw/zinc/44/27/34/455442734.db2.gz KUNJDCYTKJPSBP-CVEARBPZSA-N 1 1 345.487 3.104 20 70 EGIDMO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000160762630 455496130 /nfs/dbraw/zinc/49/61/30/455496130.db2.gz ZPRIVGYRLFSXJM-GOSISDBHSA-N 1 1 338.499 3.301 20 70 EGIDMO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000159397379 455374029 /nfs/dbraw/zinc/37/40/29/455374029.db2.gz QABWRTPPDCHGCM-CQSZACIVSA-N 1 1 336.439 3.422 20 70 EGIDMO C[C@H](O)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000159439264 455377469 /nfs/dbraw/zinc/37/74/69/455377469.db2.gz FQLIJMZDKCPKFW-IUCAKERBSA-N 1 1 330.215 3.417 20 70 EGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000159439264 455377474 /nfs/dbraw/zinc/37/74/74/455377474.db2.gz FQLIJMZDKCPKFW-IUCAKERBSA-N 1 1 330.215 3.417 20 70 EGIDMO CCCCn1ncc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1C ZINC000159616930 455389137 /nfs/dbraw/zinc/38/91/37/455389137.db2.gz FHDJEWFIISXDOB-GJZGRUSLSA-N 1 1 335.496 3.234 20 70 EGIDMO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000159679576 455395661 /nfs/dbraw/zinc/39/56/61/455395661.db2.gz VQVBAIOIRYOPOD-INIZCTEOSA-N 1 1 347.462 3.273 20 70 EGIDMO COc1ccccc1SCC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000159737347 455399139 /nfs/dbraw/zinc/39/91/39/455399139.db2.gz IGRKYCSKZNEAGI-UHFFFAOYSA-N 1 1 348.512 3.264 20 70 EGIDMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159846362 455409024 /nfs/dbraw/zinc/40/90/24/455409024.db2.gz OTEGUDLVFQCKOZ-CQSZACIVSA-N 1 1 329.419 3.351 20 70 EGIDMO CC[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000159843147 455409336 /nfs/dbraw/zinc/40/93/36/455409336.db2.gz JZCYXYXPRYADAS-PBHICJAKSA-N 1 1 335.517 3.358 20 70 EGIDMO CCCN(CC(F)F)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159899482 455413429 /nfs/dbraw/zinc/41/34/29/455413429.db2.gz NADTZGLRUOKWHV-ZBFHGGJFSA-N 1 1 339.430 3.336 20 70 EGIDMO Fc1ccc(Br)c(CSCC[NH+]2CCOCC2)c1 ZINC000159998157 455421527 /nfs/dbraw/zinc/42/15/27/455421527.db2.gz CQHQZWKXDFIUOW-UHFFFAOYSA-N 1 1 334.254 3.154 20 70 EGIDMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055223 455425372 /nfs/dbraw/zinc/42/53/72/455425372.db2.gz HPXULTIHLKJUGO-MJGOQNOKSA-N 1 1 349.519 3.095 20 70 EGIDMO CCN(C(=O)N[C@@H](C)CSC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160308760 455447386 /nfs/dbraw/zinc/44/73/86/455447386.db2.gz VUDXBABYZSODQY-RDJZCZTQSA-N 1 1 335.517 3.044 20 70 EGIDMO Cc1nc2ccccn2c1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000160463492 455462030 /nfs/dbraw/zinc/46/20/30/455462030.db2.gz 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COc1ccccc1[C@@H](CNC(=O)c1cccn1C(C)C)[NH+](C)C ZINC000161066091 455528576 /nfs/dbraw/zinc/52/85/76/455528576.db2.gz RJMPYZJTUQRTDS-QGZVFWFLSA-N 1 1 329.444 3.110 20 70 EGIDMO CCCCNC(=O)c1ccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000160103351 528550668 /nfs/dbraw/zinc/55/06/68/528550668.db2.gz HAGIPBDMJYILGV-LPHOPBHVSA-N 1 1 331.504 3.036 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000159635002 529029182 /nfs/dbraw/zinc/02/91/82/529029182.db2.gz DKKGXXFMPLNQAW-INIZCTEOSA-N 1 1 333.476 3.272 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000159558468 529030011 /nfs/dbraw/zinc/03/00/11/529030011.db2.gz ROARPCZWDSCUTQ-GOSISDBHSA-N 1 1 333.476 3.130 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000159635148 529030803 /nfs/dbraw/zinc/03/08/03/529030803.db2.gz DKKGXXFMPLNQAW-MRXNPFEDSA-N 1 1 333.476 3.272 20 70 EGIDMO COc1cc(-c2nc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)cs2)ccc1O ZINC000159777757 533454866 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C[C@@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)[N@H+]1CCC[C@@H](C)C1 ZINC000160231942 455440935 /nfs/dbraw/zinc/44/09/35/455440935.db2.gz ZBVWRIDIWJQSFN-KGLIPLIRSA-N 1 1 331.435 3.086 20 70 EGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CC(C)(C)c1ccccc1 ZINC000160296408 455446640 /nfs/dbraw/zinc/44/66/40/455446640.db2.gz KGBKFYPPAFHOCP-UHFFFAOYSA-N 1 1 346.515 3.171 20 70 EGIDMO CCC(CC)[N@@H+](CCOC)Cc1nnc(-c2ccccc2OC)o1 ZINC000160459853 455461560 /nfs/dbraw/zinc/46/15/60/455461560.db2.gz KAQHYAMFEISKJQ-UHFFFAOYSA-N 1 1 333.432 3.382 20 70 EGIDMO CCn1ccnc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160490246 455465905 /nfs/dbraw/zinc/46/59/05/455465905.db2.gz BXDSJTUJMVOFMG-XYPWUTKMSA-N 1 1 348.491 3.265 20 70 EGIDMO CCn1ccnc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160490246 455465910 /nfs/dbraw/zinc/46/59/10/455465910.db2.gz BXDSJTUJMVOFMG-XYPWUTKMSA-N 1 1 348.491 3.265 20 70 EGIDMO C[C@@H](C(=O)NCc1csc(-c2ccco2)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000160521843 455469268 /nfs/dbraw/zinc/46/92/68/455469268.db2.gz JHENZRNNWXBTJL-XQQFMLRXSA-N 1 1 333.457 3.281 20 70 EGIDMO CC[C@@H](C)OCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000160531857 455470771 /nfs/dbraw/zinc/47/07/71/455470771.db2.gz QAZIAATYJXHJOG-CYBMUJFWSA-N 1 1 325.478 3.273 20 70 EGIDMO COc1ccc([C@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)cc1 ZINC000160545421 455473108 /nfs/dbraw/zinc/47/31/08/455473108.db2.gz LKNLQXFBAOOIGX-QGZVFWFLSA-N 1 1 325.474 3.045 20 70 EGIDMO CCCCCOc1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000160572858 455475230 /nfs/dbraw/zinc/47/52/30/455475230.db2.gz CPPXPNJFZRKSFH-KRWDZBQOSA-N 1 1 339.501 3.265 20 70 EGIDMO CCCCCOc1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000160572858 455475233 /nfs/dbraw/zinc/47/52/33/455475233.db2.gz CPPXPNJFZRKSFH-KRWDZBQOSA-N 1 1 339.501 3.265 20 70 EGIDMO CCOC(=O)c1c(C)oc2nc(C[N@@H+](CC)C3CCCC3)nc(N)c21 ZINC000160588698 455477152 /nfs/dbraw/zinc/47/71/52/455477152.db2.gz QABWOYSMBIHITL-UHFFFAOYSA-N 1 1 346.431 3.055 20 70 EGIDMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(CC(N)=O)CC3)o2)cc1C ZINC000160876902 455507597 /nfs/dbraw/zinc/50/75/97/455507597.db2.gz XRVPNPSICJVKJB-AWEZNQCLSA-N 1 1 342.443 3.002 20 70 EGIDMO CCCN(CCc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160896060 455510458 /nfs/dbraw/zinc/51/04/58/455510458.db2.gz IEKSKVPZOBSUGQ-SFHVURJKSA-N 1 1 344.503 3.063 20 70 EGIDMO CC[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000160956141 455517666 /nfs/dbraw/zinc/51/76/66/455517666.db2.gz AVBWQSSZNMCCET-GYCJOSAFSA-N 1 1 345.464 3.086 20 70 EGIDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161029132 455525011 /nfs/dbraw/zinc/52/50/11/455525011.db2.gz LFFIZJJRNKAXRW-BMFZPTHFSA-N 1 1 329.488 3.440 20 70 EGIDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161158028 455541152 /nfs/dbraw/zinc/54/11/52/455541152.db2.gz ORUKQIBWILQHQS-XJKCOSOUSA-N 1 1 330.394 3.446 20 70 EGIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161158028 455541156 /nfs/dbraw/zinc/54/11/56/455541156.db2.gz ORUKQIBWILQHQS-XJKCOSOUSA-N 1 1 330.394 3.446 20 70 EGIDMO CCC[N@@H+](CCO)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000161203380 455547940 /nfs/dbraw/zinc/54/79/40/455547940.db2.gz SKWOOUGDMFGKDO-UHFFFAOYSA-N 1 1 335.879 3.406 20 70 EGIDMO CC[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1c(C)noc1C ZINC000161228571 455550131 /nfs/dbraw/zinc/55/01/31/455550131.db2.gz GWMZHMMKHDCIFN-XJKSGUPXSA-N 1 1 336.480 3.306 20 70 EGIDMO COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1N ZINC000161290908 455556504 /nfs/dbraw/zinc/55/65/04/455556504.db2.gz WGMBTNXJANGUIU-SFHVURJKSA-N 1 1 339.439 3.271 20 70 EGIDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000161305815 455557581 /nfs/dbraw/zinc/55/75/81/455557581.db2.gz WWQFWGBJESUJOP-QGZVFWFLSA-N 1 1 338.455 3.443 20 70 EGIDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000161305815 455557585 /nfs/dbraw/zinc/55/75/85/455557585.db2.gz WWQFWGBJESUJOP-QGZVFWFLSA-N 1 1 338.455 3.443 20 70 EGIDMO 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455559940 /nfs/dbraw/zinc/55/99/40/455559940.db2.gz SXBZPRKJJSKJCL-WMLDXEAASA-N 1 1 331.485 3.339 20 70 EGIDMO COCc1nc2n(n1)C[C@H](Nc1cc[nH+]c3ccc(Cl)cc13)CC2 ZINC000161347534 455560680 /nfs/dbraw/zinc/56/06/80/455560680.db2.gz JWXYXQMMSKNZTD-GFCCVEGCSA-N 1 1 343.818 3.053 20 70 EGIDMO COc1ccc(Br)cc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217664319 456033268 /nfs/dbraw/zinc/03/32/68/456033268.db2.gz PHXKKBYAGILBDN-CABCVRRESA-N 1 1 339.277 3.174 20 70 EGIDMO C[C@@H](c1ccc(NC(=O)CCCn2cccc2)cc1)[NH+]1CCOCC1 ZINC000159427912 534066009 /nfs/dbraw/zinc/06/60/09/534066009.db2.gz MMDUYIXQWBGSRM-KRWDZBQOSA-N 1 1 341.455 3.300 20 70 EGIDMO CC[N@H+]1CC[C@@H](NCc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839944 527802778 /nfs/dbraw/zinc/80/27/78/527802778.db2.gz APEWIJIQONJMQI-FOIQADDNSA-N 1 1 326.488 3.309 20 70 EGIDMO CCN1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839944 527802787 /nfs/dbraw/zinc/80/27/87/527802787.db2.gz APEWIJIQONJMQI-FOIQADDNSA-N 1 1 326.488 3.309 20 70 EGIDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1sccc1C ZINC000160216741 527923351 /nfs/dbraw/zinc/92/33/51/527923351.db2.gz ZOESOADCUMIBIP-UHFFFAOYSA-N 1 1 345.468 3.476 20 70 EGIDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1sccc1C ZINC000160216741 527923357 /nfs/dbraw/zinc/92/33/57/527923357.db2.gz ZOESOADCUMIBIP-UHFFFAOYSA-N 1 1 345.468 3.476 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000159558612 529031116 /nfs/dbraw/zinc/03/11/16/529031116.db2.gz ROARPCZWDSCUTQ-SFHVURJKSA-N 1 1 333.476 3.130 20 70 EGIDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160246678 529272837 /nfs/dbraw/zinc/27/28/37/529272837.db2.gz RWONPVJRJJSDPG-MRXNPFEDSA-N 1 1 347.484 3.326 20 70 EGIDMO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000161468411 546955732 /nfs/dbraw/zinc/95/57/32/546955732.db2.gz MHGBHTKCCIFVIY-GOSISDBHSA-N 1 1 338.455 3.076 20 70 EGIDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000159758729 225272534 /nfs/dbraw/zinc/27/25/34/225272534.db2.gz NMRJKNBDNWLOPK-SFHVURJKSA-N 1 1 348.450 3.490 20 70 EGIDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1nc(C(C)(C)C)ns1 ZINC000160028369 225322382 /nfs/dbraw/zinc/32/23/82/225322382.db2.gz SYFVXYJHAMGLJN-UHFFFAOYSA-N 1 1 333.461 3.119 20 70 EGIDMO FC(F)(F)c1ccc(OCCSCC[NH+]2CCOCC2)cc1 ZINC000159853059 307880826 /nfs/dbraw/zinc/88/08/26/307880826.db2.gz DHQWHLVHEDDVHN-UHFFFAOYSA-N 1 1 335.391 3.150 20 70 EGIDMO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000159505344 455381271 /nfs/dbraw/zinc/38/12/71/455381271.db2.gz JBWMJIKJVWISSH-HZPDHXFCSA-N 1 1 340.471 3.082 20 70 EGIDMO CCCCn1ncc(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)c1C ZINC000159662199 455393754 /nfs/dbraw/zinc/39/37/54/455393754.db2.gz DQOGFDJXUPWLJS-INIZCTEOSA-N 1 1 335.496 3.187 20 70 EGIDMO CCn1nccc1CNC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159925598 455415783 /nfs/dbraw/zinc/41/57/83/455415783.db2.gz WZSKUSXZJNMWAO-FQEVSTJZSA-N 1 1 326.488 3.076 20 70 EGIDMO CCn1nccc1CNC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159925598 455415785 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CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000159447210 455377239 /nfs/dbraw/zinc/37/72/39/455377239.db2.gz WWEAOACRLSOMMX-LRDDRELGSA-N 1 1 325.403 3.057 20 70 EGIDMO C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000159564718 455385091 /nfs/dbraw/zinc/38/50/91/455385091.db2.gz ASQWUIQBKNBMRV-IHPCNDPISA-N 1 1 338.451 3.459 20 70 EGIDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159841592 455408946 /nfs/dbraw/zinc/40/89/46/455408946.db2.gz LNESJKYNKKEIBY-INIZCTEOSA-N 1 1 337.467 3.162 20 70 EGIDMO COCCC[N@@H+](C)CCNC(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000160009282 455422232 /nfs/dbraw/zinc/42/22/32/455422232.db2.gz HWTUITNTGSGAFS-UHFFFAOYSA-N 1 1 347.286 3.011 20 70 EGIDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000160310227 455447547 /nfs/dbraw/zinc/44/75/47/455447547.db2.gz RWMCDRLVPPZFSC-CQSZACIVSA-N 1 1 338.329 3.415 20 70 EGIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000160310227 455447551 /nfs/dbraw/zinc/44/75/51/455447551.db2.gz RWMCDRLVPPZFSC-CQSZACIVSA-N 1 1 338.329 3.415 20 70 EGIDMO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478839 455464976 /nfs/dbraw/zinc/46/49/76/455464976.db2.gz NVPVXKHDXXWWHP-IEBWSBKVSA-N 1 1 330.520 3.138 20 70 EGIDMO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478839 455464994 /nfs/dbraw/zinc/46/49/94/455464994.db2.gz NVPVXKHDXXWWHP-IEBWSBKVSA-N 1 1 330.520 3.138 20 70 EGIDMO CC(C)(NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000160626381 455482527 /nfs/dbraw/zinc/48/25/27/455482527.db2.gz BGMNPPPRVPTTHI-INIZCTEOSA-N 1 1 335.879 3.359 20 70 EGIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160802801 455499536 /nfs/dbraw/zinc/49/95/36/455499536.db2.gz BGDFSQJFTJCEHJ-CKEIUWERSA-N 1 1 337.895 3.377 20 70 EGIDMO CC[N@@H+](CCNC(=O)[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000160810767 455501138 /nfs/dbraw/zinc/50/11/38/455501138.db2.gz QTBWDPMMHNUHCR-ZDUSSCGKSA-N 1 1 341.293 3.399 20 70 EGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161024026 455524904 /nfs/dbraw/zinc/52/49/04/455524904.db2.gz QQYNZWXERNVCFN-ZVZYQTTQSA-N 1 1 331.460 3.167 20 70 EGIDMO CC[C@H](C)NC(=O)c1cccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000161083234 455530612 /nfs/dbraw/zinc/53/06/12/455530612.db2.gz NAUKKYNUEQMMCO-FPXQBCRKSA-N 1 1 331.504 3.033 20 70 EGIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000161075909 455531200 /nfs/dbraw/zinc/53/12/00/455531200.db2.gz XGYIQCRBIXHHFI-GJZGRUSLSA-N 1 1 329.419 3.309 20 70 EGIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000161075909 455531202 /nfs/dbraw/zinc/53/12/02/455531202.db2.gz XGYIQCRBIXHHFI-GJZGRUSLSA-N 1 1 329.419 3.309 20 70 EGIDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2ccncc2C)C1 ZINC000161129118 455537476 /nfs/dbraw/zinc/53/74/76/455537476.db2.gz WVQVVBOQEMNQSS-QGZVFWFLSA-N 1 1 346.519 3.132 20 70 EGIDMO CCN1CCCC[C@@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000161180079 455545698 /nfs/dbraw/zinc/54/56/98/455545698.db2.gz RZCIXGFZGNPPEU-OAQYLSRUSA-N 1 1 347.522 3.297 20 70 EGIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000161200380 455547491 /nfs/dbraw/zinc/54/74/91/455547491.db2.gz ZZYTZVKOQWGVKG-PXNSSMCTSA-N 1 1 326.488 3.456 20 70 EGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000161200380 455547497 /nfs/dbraw/zinc/54/74/97/455547497.db2.gz ZZYTZVKOQWGVKG-PXNSSMCTSA-N 1 1 326.488 3.456 20 70 EGIDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161215820 455549731 /nfs/dbraw/zinc/54/97/31/455549731.db2.gz QKIDQBFIKAWBSX-KRWDZBQOSA-N 1 1 346.519 3.448 20 70 EGIDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncc(Br)cn2)C1 ZINC000161295666 455556794 /nfs/dbraw/zinc/55/67/94/455556794.db2.gz MKFGHKKUNZNHRF-LBPRGKRZSA-N 1 1 327.270 3.019 20 70 EGIDMO COCc1nc2n(n1)C[C@@H](Nc1cc[nH+]c3cc(Cl)ccc13)CC2 ZINC000161383302 455565040 /nfs/dbraw/zinc/56/50/40/455565040.db2.gz FJLFEUHXHSJXAI-LBPRGKRZSA-N 1 1 343.818 3.053 20 70 EGIDMO COc1ccccc1[C@H](CNC(=O)c1ccc(C(C)C)nc1)[NH+](C)C ZINC000161392083 455565817 /nfs/dbraw/zinc/56/58/17/455565817.db2.gz XIBUAMDYTRJNJP-SFHVURJKSA-N 1 1 341.455 3.246 20 70 EGIDMO CC(C)c1ccccc1OCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000160139130 528200625 /nfs/dbraw/zinc/20/06/25/528200625.db2.gz RXTXOHGGDQOUKB-MRXNPFEDSA-N 1 1 330.472 3.179 20 70 EGIDMO CCc1cc(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nc(C)[nH+]1 ZINC000160015286 529535887 /nfs/dbraw/zinc/53/58/87/529535887.db2.gz HOYSJBJKKCXXIR-IBGZPJMESA-N 1 1 346.475 3.185 20 70 EGIDMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000159758872 206262805 /nfs/dbraw/zinc/26/28/05/206262805.db2.gz NMRJKNBDNWLOPK-GOSISDBHSA-N 1 1 348.450 3.490 20 70 EGIDMO C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H](CCO)c1ccccc1 ZINC000159835399 206265676 /nfs/dbraw/zinc/26/56/76/206265676.db2.gz MGJNAEOGUNDGDP-LJQANCHMSA-N 1 1 346.515 3.327 20 70 EGIDMO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527250 206301292 /nfs/dbraw/zinc/30/12/92/206301292.db2.gz GEQVFGPCLPFION-IEBWSBKVSA-N 1 1 330.520 3.282 20 70 EGIDMO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527250 206301304 /nfs/dbraw/zinc/30/13/04/206301304.db2.gz GEQVFGPCLPFION-IEBWSBKVSA-N 1 1 330.520 3.282 20 70 EGIDMO CCC[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CC[N@H+]1CCOC ZINC000160822541 206315788 /nfs/dbraw/zinc/31/57/88/206315788.db2.gz OUPLBLMVIIKCDE-OAHLLOKOSA-N 1 1 344.459 3.133 20 70 EGIDMO CC[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000161118412 206329920 /nfs/dbraw/zinc/32/99/20/206329920.db2.gz QMSMLYAWBRTASU-GOSISDBHSA-N 1 1 327.403 3.238 20 70 EGIDMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000161118412 206329923 /nfs/dbraw/zinc/32/99/23/206329923.db2.gz QMSMLYAWBRTASU-GOSISDBHSA-N 1 1 327.403 3.238 20 70 EGIDMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1N ZINC000161328878 206341476 /nfs/dbraw/zinc/34/14/76/206341476.db2.gz HYRKXKDRHMGVKP-MRXNPFEDSA-N 1 1 339.439 3.128 20 70 EGIDMO 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Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000160269766 455444013 /nfs/dbraw/zinc/44/40/13/455444013.db2.gz HPIMELWHSWPWIF-GOSISDBHSA-N 1 1 345.487 3.255 20 70 EGIDMO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371372 455451582 /nfs/dbraw/zinc/45/15/82/455451582.db2.gz YLYZDIFPEKMIKQ-MJBXVCDLSA-N 1 1 341.293 3.289 20 70 EGIDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1cccc(F)c1 ZINC000160464519 455462593 /nfs/dbraw/zinc/46/25/93/455462593.db2.gz YFBZEYXBGBFWPR-UHFFFAOYSA-N 1 1 347.434 3.223 20 70 EGIDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160464519 455462599 /nfs/dbraw/zinc/46/25/99/455462599.db2.gz YFBZEYXBGBFWPR-UHFFFAOYSA-N 1 1 347.434 3.223 20 70 EGIDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000160571357 455475619 /nfs/dbraw/zinc/47/56/19/455475619.db2.gz KGJUETBTMNTBSB-LLVKDONJSA-N 1 1 343.370 3.228 20 70 EGIDMO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000160630750 455482042 /nfs/dbraw/zinc/48/20/42/455482042.db2.gz HUCFMYSHGSYVGN-CQSZACIVSA-N 1 1 330.428 3.033 20 70 EGIDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160868216 455506648 /nfs/dbraw/zinc/50/66/48/455506648.db2.gz XIQXSGAPOKAYTM-KRWDZBQOSA-N 1 1 327.472 3.378 20 70 EGIDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000160882022 455508680 /nfs/dbraw/zinc/50/86/80/455508680.db2.gz BRBIYPCABDEDDY-UHFFFAOYSA-N 1 1 340.452 3.355 20 70 EGIDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000160882022 455508685 /nfs/dbraw/zinc/50/86/85/455508685.db2.gz BRBIYPCABDEDDY-UHFFFAOYSA-N 1 1 340.452 3.355 20 70 EGIDMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1C ZINC000160900546 455510510 /nfs/dbraw/zinc/51/05/10/455510510.db2.gz UCARNJPVOADQHN-FBBABVLZSA-N 1 1 344.499 3.108 20 70 EGIDMO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccnc1Cl ZINC000160936248 455515753 /nfs/dbraw/zinc/51/57/53/455515753.db2.gz BCWBOZPKJJKCHB-GFCCVEGCSA-N 1 1 338.860 3.130 20 70 EGIDMO CCC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161102323 455533927 /nfs/dbraw/zinc/53/39/27/455533927.db2.gz UEQFDEKPQLYESS-SFHVURJKSA-N 1 1 344.480 3.148 20 70 EGIDMO CCC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161102323 455533932 /nfs/dbraw/zinc/53/39/32/455533932.db2.gz UEQFDEKPQLYESS-SFHVURJKSA-N 1 1 344.480 3.148 20 70 EGIDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161157803 455541475 /nfs/dbraw/zinc/54/14/75/455541475.db2.gz ORUKQIBWILQHQS-IOASZLSFSA-N 1 1 330.394 3.446 20 70 EGIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161157803 455541480 /nfs/dbraw/zinc/54/14/80/455541480.db2.gz ORUKQIBWILQHQS-IOASZLSFSA-N 1 1 330.394 3.446 20 70 EGIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000161198515 455546733 /nfs/dbraw/zinc/54/67/33/455546733.db2.gz ITYCPVUHCBGSGS-AWEZNQCLSA-N 1 1 331.847 3.262 20 70 EGIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000161198515 455546737 /nfs/dbraw/zinc/54/67/37/455546737.db2.gz ITYCPVUHCBGSGS-AWEZNQCLSA-N 1 1 331.847 3.262 20 70 EGIDMO COc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000161256079 455553330 /nfs/dbraw/zinc/55/33/30/455553330.db2.gz MGHKKKVXJPVABP-LJQANCHMSA-N 1 1 340.467 3.440 20 70 EGIDMO CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161400019 455566606 /nfs/dbraw/zinc/56/66/06/455566606.db2.gz KDDYQOWOTQKNJS-MRXNPFEDSA-N 1 1 326.444 3.003 20 70 EGIDMO OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000161420493 455569149 /nfs/dbraw/zinc/56/91/49/455569149.db2.gz XFESRNJHQQQHBZ-HNNXBMFYSA-N 1 1 335.245 3.344 20 70 EGIDMO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000159695346 528815125 /nfs/dbraw/zinc/81/51/25/528815125.db2.gz PSCBPYCLEYWCCG-GOSISDBHSA-N 1 1 328.460 3.035 20 70 EGIDMO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000159695346 528815127 /nfs/dbraw/zinc/81/51/27/528815127.db2.gz PSCBPYCLEYWCCG-GOSISDBHSA-N 1 1 328.460 3.035 20 70 EGIDMO CCCCn1ncc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1C ZINC000160219898 264871007 /nfs/dbraw/zinc/87/10/07/264871007.db2.gz KRPOTAUXBIUHPE-UHFFFAOYSA-N 1 1 342.487 3.244 20 70 EGIDMO CCCn1c(C)nnc1C[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000159579731 276297093 /nfs/dbraw/zinc/29/70/93/276297093.db2.gz BTVPHGNNOCARFB-SFHVURJKSA-N 1 1 348.466 3.327 20 70 EGIDMO CCCn1c(C)nnc1C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000159579731 276297095 /nfs/dbraw/zinc/29/70/95/276297095.db2.gz BTVPHGNNOCARFB-SFHVURJKSA-N 1 1 348.466 3.327 20 70 EGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc2cc(F)ccc2o1 ZINC000160257840 307887252 /nfs/dbraw/zinc/88/72/52/307887252.db2.gz WCTMLCXYXNNORS-UHFFFAOYSA-N 1 1 348.418 3.002 20 70 EGIDMO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159631326 455390498 /nfs/dbraw/zinc/39/04/98/455390498.db2.gz NCVHQQRNFBTMLR-NRFANRHFSA-N 1 1 333.435 3.317 20 70 EGIDMO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159631326 455390501 /nfs/dbraw/zinc/39/05/01/455390501.db2.gz NCVHQQRNFBTMLR-NRFANRHFSA-N 1 1 333.435 3.317 20 70 EGIDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccncc2)CC1 ZINC000159985551 455419984 /nfs/dbraw/zinc/41/99/84/455419984.db2.gz LYFLAUJFOLJDAL-MRXNPFEDSA-N 1 1 341.480 3.079 20 70 EGIDMO CCCn1c(C)nnc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000160506617 455467869 /nfs/dbraw/zinc/46/78/69/455467869.db2.gz ZGKYFTDXAIXBKE-SFHVURJKSA-N 1 1 327.476 3.097 20 70 EGIDMO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000160506617 455467876 /nfs/dbraw/zinc/46/78/76/455467876.db2.gz ZGKYFTDXAIXBKE-SFHVURJKSA-N 1 1 327.476 3.097 20 70 EGIDMO COc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1OC ZINC000160827451 455502430 /nfs/dbraw/zinc/50/24/30/455502430.db2.gz CVZBDACDPDQTTE-QHCPKHFHSA-N 1 1 333.453 3.073 20 70 EGIDMO COc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1OC ZINC000160827451 455502435 /nfs/dbraw/zinc/50/24/35/455502435.db2.gz CVZBDACDPDQTTE-QHCPKHFHSA-N 1 1 333.453 3.073 20 70 EGIDMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000160532177 455470882 /nfs/dbraw/zinc/47/08/82/455470882.db2.gz FBJULAUWHIXSQY-ZETCQYMHSA-N 1 1 329.149 3.323 20 70 EGIDMO C[C@H](N(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000160372705 455452032 /nfs/dbraw/zinc/45/20/32/455452032.db2.gz YGXJSOQNOCPEAD-SOLBZPMBSA-N 1 1 329.488 3.479 20 70 EGIDMO CCSCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160446581 455460044 /nfs/dbraw/zinc/46/00/44/455460044.db2.gz RDBSZTAVCARGPI-AWEZNQCLSA-N 1 1 339.480 3.412 20 70 EGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc2ccccc2s1 ZINC000160453393 455461226 /nfs/dbraw/zinc/46/12/26/455461226.db2.gz UJOWEPVMWIGFQP-OAHLLOKOSA-N 1 1 345.512 3.466 20 70 EGIDMO COc1ccc(CCCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160503894 455466784 /nfs/dbraw/zinc/46/67/84/455466784.db2.gz HKCBLVQJJUVGNL-GOSISDBHSA-N 1 1 332.488 3.255 20 70 EGIDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160533537 455470530 /nfs/dbraw/zinc/47/05/30/455470530.db2.gz PKBLRSNCNGMLOB-ZIFCJYIRSA-N 1 1 330.520 3.280 20 70 EGIDMO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160551403 455472611 /nfs/dbraw/zinc/47/26/11/455472611.db2.gz GIEUNACSYMGIEH-SECBINFHSA-N 1 1 338.757 3.068 20 70 EGIDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N(CCc1cccc(F)c1)C1CC1 ZINC000160627417 455481726 /nfs/dbraw/zinc/48/17/26/455481726.db2.gz HITIIYOOUSNLCH-SFHVURJKSA-N 1 1 345.462 3.027 20 70 EGIDMO COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000160904133 455511899 /nfs/dbraw/zinc/51/18/99/455511899.db2.gz MTHHAGJJVLLFHA-SFHVURJKSA-N 1 1 328.412 3.429 20 70 EGIDMO CN(Cc1cnc2ccccn12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160922717 455514026 /nfs/dbraw/zinc/51/40/26/455514026.db2.gz LPZKAOBYUMTJQF-LJQANCHMSA-N 1 1 334.467 3.431 20 70 EGIDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000160947186 455516377 /nfs/dbraw/zinc/51/63/77/455516377.db2.gz IXCUINMVKPCFQP-MJGOQNOKSA-N 1 1 340.467 3.043 20 70 EGIDMO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000160962825 455518546 /nfs/dbraw/zinc/51/85/46/455518546.db2.gz QROGPJYKPLPFRE-ROUUACIJSA-N 1 1 340.492 3.335 20 70 EGIDMO CCC[N@H+](Cc1c(C)cc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161077967 455530694 /nfs/dbraw/zinc/53/06/94/455530694.db2.gz YTQZJYAMFJWBAA-OAHLLOKOSA-N 1 1 329.893 3.356 20 70 EGIDMO CCC[N@@H+](Cc1c(C)cc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161077967 455530696 /nfs/dbraw/zinc/53/06/96/455530696.db2.gz YTQZJYAMFJWBAA-OAHLLOKOSA-N 1 1 329.893 3.356 20 70 EGIDMO CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000161156904 455540787 /nfs/dbraw/zinc/54/07/87/455540787.db2.gz WMWPRFNVQSDBDY-CZUORRHYSA-N 1 1 330.394 3.448 20 70 EGIDMO CCN1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000161156904 455540791 /nfs/dbraw/zinc/54/07/91/455540791.db2.gz WMWPRFNVQSDBDY-CZUORRHYSA-N 1 1 330.394 3.448 20 70 EGIDMO CCOCCC1(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CCC1 ZINC000161350240 455562225 /nfs/dbraw/zinc/56/22/25/455562225.db2.gz NFGCRLPORYHXMU-QGZVFWFLSA-N 1 1 348.487 3.011 20 70 EGIDMO CCOCCC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC000161363741 455563313 /nfs/dbraw/zinc/56/33/13/455563313.db2.gz PQGLGFHIKAWEMX-UHFFFAOYSA-N 1 1 344.499 3.318 20 70 EGIDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000161381210 455564716 /nfs/dbraw/zinc/56/47/16/455564716.db2.gz CBBGJDSTMWGCMB-WBMJQRKESA-N 1 1 346.862 3.189 20 70 EGIDMO O=C(NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000161414432 455568157 /nfs/dbraw/zinc/56/81/57/455568157.db2.gz XOVXECGHQYBSEB-IBGZPJMESA-N 1 1 343.515 3.004 20 70 EGIDMO O=C(NC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1)c1ccccc1 ZINC000161414432 455568160 /nfs/dbraw/zinc/56/81/60/455568160.db2.gz XOVXECGHQYBSEB-IBGZPJMESA-N 1 1 343.515 3.004 20 70 EGIDMO Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217537954 456033884 /nfs/dbraw/zinc/03/38/84/456033884.db2.gz SXNJOYLBXGHOJJ-GJZGRUSLSA-N 1 1 337.261 3.114 20 70 EGIDMO CCCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000159417935 528763020 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GYJMECGLXCSDLE-MRXNPFEDSA-N 1 1 334.257 3.485 20 70 EGIDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160815569 275196117 /nfs/dbraw/zinc/19/61/17/275196117.db2.gz HRTIMWZREWOOST-IBGZPJMESA-N 1 1 343.515 3.383 20 70 EGIDMO COc1ccc([C@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000160730608 277934442 /nfs/dbraw/zinc/93/44/42/277934442.db2.gz WOEYLQSRYYIKPY-LJQANCHMSA-N 1 1 326.444 3.254 20 70 EGIDMO Cc1csc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000160911277 279040083 /nfs/dbraw/zinc/04/00/83/279040083.db2.gz QFKLWJKCDSDGQX-CYBMUJFWSA-N 1 1 336.505 3.003 20 70 EGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000159632930 307877054 /nfs/dbraw/zinc/87/70/54/307877054.db2.gz CFCNAOQMKUCICU-UHFFFAOYSA-N 1 1 348.531 3.020 20 70 EGIDMO COc1ccc(Br)cc1CSCC[NH+]1CCOCC1 ZINC000159836039 307880989 /nfs/dbraw/zinc/88/09/89/307880989.db2.gz SPWVMFVMHVHAOM-UHFFFAOYSA-N 1 1 346.290 3.023 20 70 EGIDMO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159748301 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/nfs/dbraw/zinc/44/47/16/455444716.db2.gz BJBLFEASISFQBY-QGZVFWFLSA-N 1 1 349.523 3.481 20 70 EGIDMO C[N@@H+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160458121 455461017 /nfs/dbraw/zinc/46/10/17/455461017.db2.gz VMVACBQWMRPMSY-WFVVYAPDSA-N 1 1 338.492 3.418 20 70 EGIDMO Cc1ncc([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c(C)n1 ZINC000160698916 455489247 /nfs/dbraw/zinc/48/92/47/455489247.db2.gz MREWLKZPXBRGJR-DNVCBOLYSA-N 1 1 338.455 3.108 20 70 EGIDMO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000160963085 455518483 /nfs/dbraw/zinc/51/84/83/455518483.db2.gz QROGPJYKPLPFRE-ZWKOTPCHSA-N 1 1 340.492 3.335 20 70 EGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161024146 455524544 /nfs/dbraw/zinc/52/45/44/455524544.db2.gz QQYNZWXERNVCFN-HFTRVMKXSA-N 1 1 331.460 3.167 20 70 EGIDMO Cc1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)ccc2n1 ZINC000161079753 455531148 /nfs/dbraw/zinc/53/11/48/455531148.db2.gz DLFUWGFEZSUVIX-INIZCTEOSA-N 1 1 325.456 3.393 20 70 EGIDMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](CC)Cc1ccccn1 ZINC000161167909 455543060 /nfs/dbraw/zinc/54/30/60/455543060.db2.gz VNAQPOWMQXWJMC-INIZCTEOSA-N 1 1 330.432 3.397 20 70 EGIDMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)Cc1ccccn1 ZINC000161167909 455543062 /nfs/dbraw/zinc/54/30/62/455543062.db2.gz VNAQPOWMQXWJMC-INIZCTEOSA-N 1 1 330.432 3.397 20 70 EGIDMO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000161200958 455547889 /nfs/dbraw/zinc/54/78/89/455547889.db2.gz DJXFNIIQGNBJRY-QGZVFWFLSA-N 1 1 325.456 3.256 20 70 EGIDMO CC(=O)NC1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000161206578 455548503 /nfs/dbraw/zinc/54/85/03/455548503.db2.gz IDQLNMKOLLWIBT-UHFFFAOYSA-N 1 1 335.536 3.212 20 70 EGIDMO CCC[N@@H+](CCO)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000161214093 455548686 /nfs/dbraw/zinc/54/86/86/455548686.db2.gz VXXMOWHVVSPXEH-UHFFFAOYSA-N 1 1 336.439 3.139 20 70 EGIDMO Cn1cc(C[N@@H+](C)Cc2cc(Br)cc3cccnc32)cn1 ZINC000161235411 455551434 /nfs/dbraw/zinc/55/14/34/455551434.db2.gz SRDSFISFLHFIDC-UHFFFAOYSA-N 1 1 345.244 3.363 20 70 EGIDMO CCC[C@@H]1CN(CCC(=O)c2ccc(C)cc2)CC[N@H+]1CCOC ZINC000161326796 455559229 /nfs/dbraw/zinc/55/92/29/455559229.db2.gz BSWWVJPSHYQPDC-LJQANCHMSA-N 1 1 332.488 3.001 20 70 EGIDMO CCC[C@@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)CCN1CCOC ZINC000161326796 455559232 /nfs/dbraw/zinc/55/92/32/455559232.db2.gz BSWWVJPSHYQPDC-LJQANCHMSA-N 1 1 332.488 3.001 20 70 EGIDMO CCC[C@@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)CCN1CCOC ZINC000161326796 455559234 /nfs/dbraw/zinc/55/92/34/455559234.db2.gz BSWWVJPSHYQPDC-LJQANCHMSA-N 1 1 332.488 3.001 20 70 EGIDMO Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000217403198 456032529 /nfs/dbraw/zinc/03/25/29/456032529.db2.gz YHYIVQQEEFBWIG-UHFFFAOYSA-N 1 1 337.467 3.065 20 70 EGIDMO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159433876 528684051 /nfs/dbraw/zinc/68/40/51/528684051.db2.gz IBSMEEKDIHWVGN-VXGBXAGGSA-N 1 1 336.386 3.420 20 70 EGIDMO CN(C)c1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2F)c1 ZINC000159820056 529789006 /nfs/dbraw/zinc/78/90/06/529789006.db2.gz BMGNEYSHUUQGKO-UHFFFAOYSA-N 1 1 329.419 3.352 20 70 EGIDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000159455668 225221364 /nfs/dbraw/zinc/22/13/64/225221364.db2.gz MCIZHMKCWRCIIE-BXUZGUMPSA-N 1 1 347.509 3.267 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159919501 455415635 /nfs/dbraw/zinc/41/56/35/455415635.db2.gz DCDFSOLHLZCIFR-UHFFFAOYSA-N 1 1 348.878 3.101 20 70 EGIDMO CSCC[C@H](C)N(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160183402 455435236 /nfs/dbraw/zinc/43/52/36/455435236.db2.gz QTJOXSQIERZLSW-XYJFISCASA-N 1 1 349.544 3.432 20 70 EGIDMO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)Oc1ccccc1Br ZINC000160371180 455452251 /nfs/dbraw/zinc/45/22/51/455452251.db2.gz YLYZDIFPEKMIKQ-MCIONIFRSA-N 1 1 341.293 3.289 20 70 EGIDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000160671777 455486207 /nfs/dbraw/zinc/48/62/07/455486207.db2.gz KDDOISMIHDPYFP-TXEJJXNPSA-N 1 1 328.378 3.202 20 70 EGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000159564293 455385351 /nfs/dbraw/zinc/38/53/51/455385351.db2.gz OCTDZMPCKHVCCA-OAHLLOKOSA-N 1 1 337.464 3.100 20 70 EGIDMO CCCCn1ncc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000159777011 455402744 /nfs/dbraw/zinc/40/27/44/455402744.db2.gz MEAIPBPWMUPCAR-INIZCTEOSA-N 1 1 335.496 3.330 20 70 EGIDMO Cc1cccnc1[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)C(C)C ZINC000160113212 455429671 /nfs/dbraw/zinc/42/96/71/455429671.db2.gz NDWBKEQFQFJEAW-SJORKVTESA-N 1 1 332.492 3.069 20 70 EGIDMO CCC[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC000160147195 455432587 /nfs/dbraw/zinc/43/25/87/455432587.db2.gz IUTPQTDIBNBCTI-IBGZPJMESA-N 1 1 347.503 3.237 20 70 EGIDMO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000160160123 455432785 /nfs/dbraw/zinc/43/27/85/455432785.db2.gz NOBCSUCAUQVMPZ-DLBZAZTESA-N 1 1 334.504 3.249 20 70 EGIDMO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000160284547 455445420 /nfs/dbraw/zinc/44/54/20/455445420.db2.gz WSFRRPOHAOHKJD-OQIJWPOYSA-N 1 1 327.472 3.091 20 70 EGIDMO CCOC(=O)c1c(C)oc2nc(C[N@@H+](CC)[C@H](C)C(C)C)nc(N)c21 ZINC000160710828 455490620 /nfs/dbraw/zinc/49/06/20/455490620.db2.gz AUSAWZWDPSSMGU-LLVKDONJSA-N 1 1 348.447 3.157 20 70 EGIDMO CCc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1CC(C)C ZINC000160853780 455505702 /nfs/dbraw/zinc/50/57/02/455505702.db2.gz WUUUPHKCXRITAC-KRWDZBQOSA-N 1 1 348.535 3.199 20 70 EGIDMO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(F)c2)CC1)c1ccco1 ZINC000160904448 455511931 /nfs/dbraw/zinc/51/19/31/455511931.db2.gz PLAAJMBPCWSCJF-OAHLLOKOSA-N 1 1 331.391 3.010 20 70 EGIDMO CCC[N@@H+](CCO)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000161233127 455550540 /nfs/dbraw/zinc/55/05/40/455550540.db2.gz XHVHGOBHJDYHNF-UHFFFAOYSA-N 1 1 327.472 3.429 20 70 EGIDMO COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1Cl ZINC000161367829 455563789 /nfs/dbraw/zinc/56/37/89/455563789.db2.gz YVFPCCKPQNOBBU-UHFFFAOYSA-N 1 1 336.863 3.326 20 70 EGIDMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000160281769 533850168 /nfs/dbraw/zinc/85/01/68/533850168.db2.gz NSCYDFIXAJYENQ-IRXDYDNUSA-N 1 1 327.476 3.182 20 70 EGIDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000160281769 533850175 /nfs/dbraw/zinc/85/01/75/533850175.db2.gz NSCYDFIXAJYENQ-IRXDYDNUSA-N 1 1 327.476 3.182 20 70 EGIDMO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000159506441 546939092 /nfs/dbraw/zinc/93/90/92/546939092.db2.gz OESIAFSYLLONNA-OAQYLSRUSA-N 1 1 336.435 3.319 20 70 EGIDMO CC(=O)Nc1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000159506441 546939099 /nfs/dbraw/zinc/93/90/99/546939099.db2.gz OESIAFSYLLONNA-OAQYLSRUSA-N 1 1 336.435 3.319 20 70 EGIDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)C[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000159603757 546939535 /nfs/dbraw/zinc/93/95/35/546939535.db2.gz ONRDYHYYFSUKEU-MSOLQXFVSA-N 1 1 332.488 3.423 20 70 EGIDMO C[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000160717407 546949676 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C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160935084 455515539 /nfs/dbraw/zinc/51/55/39/455515539.db2.gz KQFSQAFHXBQXLA-LFVRLGFBSA-N 1 1 327.453 3.265 20 70 EGIDMO CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000160991536 455520941 /nfs/dbraw/zinc/52/09/41/455520941.db2.gz KVNNAPNDBNIMEC-OAHLLOKOSA-N 1 1 348.535 3.491 20 70 EGIDMO CCOC(=O)c1c(C)oc2nc(C[NH+]3[C@H](C)CCC[C@H]3C)nc(N)c21 ZINC000161028064 455525122 /nfs/dbraw/zinc/52/51/22/455525122.db2.gz XMJPINCONHVAMR-GHMZBOCLSA-N 1 1 346.431 3.053 20 70 EGIDMO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(Cl)cc1F)c1ccco1 ZINC000161055970 455529159 /nfs/dbraw/zinc/52/91/59/455529159.db2.gz SLKAHWGPAFJYPI-ZDUSSCGKSA-N 1 1 328.746 3.244 20 70 EGIDMO O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1CSC[NH2+]1 ZINC000161089320 455531483 /nfs/dbraw/zinc/53/14/83/455531483.db2.gz VSDVPCZMCOLREU-QGZVFWFLSA-N 1 1 328.437 3.004 20 70 EGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000161117447 455536117 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CCc1nnc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)o1 ZINC000161228086 455550473 /nfs/dbraw/zinc/55/04/73/455550473.db2.gz VCNLKODIYYTLRU-UHFFFAOYSA-N 1 1 343.406 3.226 20 70 EGIDMO CCOCCC1(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000161432158 455570861 /nfs/dbraw/zinc/57/08/61/455570861.db2.gz QEPRJYUKWVFBHI-KRWDZBQOSA-N 1 1 344.499 3.146 20 70 EGIDMO CCOCCC1(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CCC1 ZINC000161432158 455570865 /nfs/dbraw/zinc/57/08/65/455570865.db2.gz QEPRJYUKWVFBHI-KRWDZBQOSA-N 1 1 344.499 3.146 20 70 EGIDMO C[N@@H+]1CCN(CC(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000216731608 574917193 /nfs/dbraw/zinc/91/71/93/574917193.db2.gz ROENHCOJZBYSMK-GOSISDBHSA-N 1 1 343.858 3.267 20 70 EGIDMO C[N@H+]1CCN(CC(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000216731608 574917196 /nfs/dbraw/zinc/91/71/96/574917196.db2.gz ROENHCOJZBYSMK-GOSISDBHSA-N 1 1 343.858 3.267 20 70 EGIDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000216718608 266192764 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20 70 EGIDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160405864 455455054 /nfs/dbraw/zinc/45/50/54/455455054.db2.gz VJHSUACQJIQEMQ-JZXOWHBKSA-N 1 1 341.565 3.329 20 70 EGIDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccncc2)C1)Nc1cccc(F)c1 ZINC000160621342 455481503 /nfs/dbraw/zinc/48/15/03/455481503.db2.gz LQSXNEUEPTWIDV-MRXNPFEDSA-N 1 1 342.418 3.254 20 70 EGIDMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160645852 455484065 /nfs/dbraw/zinc/48/40/65/455484065.db2.gz VWCPRDVFCQJILQ-JXFKEZNVSA-N 1 1 341.499 3.481 20 70 EGIDMO CC[NH2+]CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000161011424 455524494 /nfs/dbraw/zinc/52/44/94/455524494.db2.gz YEEIFFHUEZFNAG-UHFFFAOYSA-N 1 1 346.862 3.192 20 70 EGIDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2nc(C)sc2C)c1 ZINC000161175653 455544522 /nfs/dbraw/zinc/54/45/22/455544522.db2.gz ARGLPRGZIJELMU-UHFFFAOYSA-N 1 1 331.485 3.071 20 70 EGIDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1N ZINC000161329001 455560259 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