smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC000159400233 488785394 /nfs/dbraw/zinc/78/53/94/488785394.db2.gz LDCXEAUIUKPPLA-UHFFFAOYSA-N 1 2 358.446 0.695 10 70 FCIELO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160493036 488791707 /nfs/dbraw/zinc/79/17/07/488791707.db2.gz ZYRFZPIGBYELND-UHFFFAOYSA-N 1 2 372.473 0.985 10 70 FCIELO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160493036 488791709 /nfs/dbraw/zinc/79/17/09/488791709.db2.gz ZYRFZPIGBYELND-UHFFFAOYSA-N 1 2 372.473 0.985 10 70 FCIELO Cn1cc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000161373197 208837604 /nfs/dbraw/zinc/83/76/04/208837604.db2.gz JNASQXPGFQSENQ-MRXNPFEDSA-N 1 2 350.444 0.460 10 70 FCIELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1 ZINC000159624920 488786238 /nfs/dbraw/zinc/78/62/38/488786238.db2.gz XYIINTHCKBGLAL-JXFKEZNVSA-N 1 2 357.454 0.884 10 70 FCIELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1 ZINC000159624920 488786240 /nfs/dbraw/zinc/78/62/40/488786240.db2.gz XYIINTHCKBGLAL-JXFKEZNVSA-N 1 2 357.454 0.884 10 70 FCIELO CC(C)[C@@H](O)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000160362983 488790945 /nfs/dbraw/zinc/79/09/45/488790945.db2.gz ZFZJAWIYYVCYJM-AEFFLSMTSA-N 1 2 350.459 0.978 10 70 FCIELO CC[C@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1nccs1 ZINC000161168308 488795358 /nfs/dbraw/zinc/79/53/58/488795358.db2.gz MAICXSMGTHJHRO-IUCAKERBSA-N 1 2 351.432 0.435 10 70 FCIELO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCC(=O)NC(C)(C)C ZINC000160561368 488792215 /nfs/dbraw/zinc/79/22/15/488792215.db2.gz UXDNVVGVXIGXEH-LBPRGKRZSA-N 1 2 361.446 0.860 10 70 FCIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000161017532 488794805 /nfs/dbraw/zinc/79/48/05/488794805.db2.gz RBGLKULSZVDMAX-KGLIPLIRSA-N 1 2 371.359 0.772 10 70 FCIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000161017532 488794806 /nfs/dbraw/zinc/79/48/06/488794806.db2.gz RBGLKULSZVDMAX-KGLIPLIRSA-N 1 2 371.359 0.772 10 70 FCIELO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1 ZINC000161256824 488795742 /nfs/dbraw/zinc/79/57/42/488795742.db2.gz WCENHHHMYOBFPG-OAHLLOKOSA-N 1 2 357.414 0.566 10 70 FCIELO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1 ZINC000161256824 488795744 /nfs/dbraw/zinc/79/57/44/488795744.db2.gz WCENHHHMYOBFPG-OAHLLOKOSA-N 1 2 357.414 0.566 10 70 FCIELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161457158 488796753 /nfs/dbraw/zinc/79/67/53/488796753.db2.gz GMMUOPYYSVPMJG-IINYFYTJSA-N 1 2 365.396 0.747 10 70 FCIELO O=C(CC1=CSC2=[NH+]CCCN12)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000217859966 488442660 /nfs/dbraw/zinc/44/26/60/488442660.db2.gz MGUXBHQKJZRAKQ-UHFFFAOYSA-N 1 2 360.443 0.459 10 70 FCIELO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCC[NH+]1CCOCC1 ZINC000160580156 488792186 /nfs/dbraw/zinc/79/21/86/488792186.db2.gz NCLDQNCEKZIESP-CQSZACIVSA-N 1 2 359.430 0.416 10 70 FCIELO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000161257525 488795681 /nfs/dbraw/zinc/79/56/81/488795681.db2.gz CUEGTMQBEFOLPQ-HNNXBMFYSA-N 1 2 371.441 0.874 10 70 FCIELO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000161257525 488795683 /nfs/dbraw/zinc/79/56/83/488795683.db2.gz CUEGTMQBEFOLPQ-HNNXBMFYSA-N 1 2 371.441 0.874 10 70 FCIELO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1 ZINC000161256957 488795900 /nfs/dbraw/zinc/79/59/00/488795900.db2.gz WCENHHHMYOBFPG-HNNXBMFYSA-N 1 2 357.414 0.566 10 70 FCIELO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1 ZINC000161256957 488795903 /nfs/dbraw/zinc/79/59/03/488795903.db2.gz WCENHHHMYOBFPG-HNNXBMFYSA-N 1 2 357.414 0.566 10 70 FCIELO COCCCNC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000159476482 488785690 /nfs/dbraw/zinc/78/56/90/488785690.db2.gz PWQVVZWNZCWLKX-LBPRGKRZSA-N 1 2 353.385 0.872 10 70 FCIELO COCCCNC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000159476482 488785693 /nfs/dbraw/zinc/78/56/93/488785693.db2.gz PWQVVZWNZCWLKX-LBPRGKRZSA-N 1 2 353.385 0.872 10 70 FCIELO CC(C)[C@H](O)CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000160362631 488791301 /nfs/dbraw/zinc/79/13/01/488791301.db2.gz ZFZJAWIYYVCYJM-FUHWJXTLSA-N 1 2 350.459 0.978 10 70 FCIELO Cc1ccc(-c2nnn(CC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)n2)cc1 ZINC000160446241 488791486 /nfs/dbraw/zinc/79/14/86/488791486.db2.gz XNNXXWBSEVGWNV-INIZCTEOSA-N 1 2 356.430 0.628 10 70 FCIELO Cc1ccc(-c2nnn(CC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)n2)cc1 ZINC000160446241 488791488 /nfs/dbraw/zinc/79/14/88/488791488.db2.gz XNNXXWBSEVGWNV-INIZCTEOSA-N 1 2 356.430 0.628 10 70 FCIELO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCC(=O)NC(C)(C)C ZINC000160561493 488792249 /nfs/dbraw/zinc/79/22/49/488792249.db2.gz UXDNVVGVXIGXEH-GFCCVEGCSA-N 1 2 361.446 0.860 10 70 FCIELO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)CC2 ZINC000160607356 488792483 /nfs/dbraw/zinc/79/24/83/488792483.db2.gz OLBXPOFTICMKGI-UONOGXRCSA-N 1 2 359.434 0.810 10 70 FCIELO COC(=O)Cn1cc(CC[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)nn1 ZINC000159993450 488789059 /nfs/dbraw/zinc/78/90/59/488789059.db2.gz RFRBQUWPUAJALO-MRXNPFEDSA-N 1 2 362.434 0.208 10 70 FCIELO COC(=O)Cn1cc(CC[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)nn1 ZINC000159993450 488789062 /nfs/dbraw/zinc/78/90/62/488789062.db2.gz RFRBQUWPUAJALO-MRXNPFEDSA-N 1 2 362.434 0.208 10 70 FCIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000161017334 488794604 /nfs/dbraw/zinc/79/46/04/488794604.db2.gz RBGLKULSZVDMAX-KBPBESRZSA-N 1 2 371.359 0.772 10 70 FCIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000161017334 488794607 /nfs/dbraw/zinc/79/46/07/488794607.db2.gz RBGLKULSZVDMAX-KBPBESRZSA-N 1 2 371.359 0.772 10 70 FCIELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000160414653 488791673 /nfs/dbraw/zinc/79/16/73/488791673.db2.gz QQLZYTAJYDOHNP-JTQLQIEISA-N 1 2 357.208 0.229 10 70 FCIELO COCCCNC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000159476624 488785813 /nfs/dbraw/zinc/78/58/13/488785813.db2.gz PWQVVZWNZCWLKX-GFCCVEGCSA-N 1 2 353.385 0.872 10 70 FCIELO COCCCNC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000159476624 488785814 /nfs/dbraw/zinc/78/58/14/488785814.db2.gz PWQVVZWNZCWLKX-GFCCVEGCSA-N 1 2 353.385 0.872 10 70 FCIELO COC(=O)Cn1cc(CC[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)nn1 ZINC000159942763 488788452 /nfs/dbraw/zinc/78/84/52/488788452.db2.gz YVCUKWNKQYHMNJ-LBPRGKRZSA-N 1 2 363.422 0.064 10 70 FCIELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160405820 488790939 /nfs/dbraw/zinc/79/09/39/488790939.db2.gz FLMYZZJDOAHXGM-ZDUSSCGKSA-N 1 2 362.821 0.909 10 70 FCIELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160405820 488790941 /nfs/dbraw/zinc/79/09/41/488790941.db2.gz FLMYZZJDOAHXGM-ZDUSSCGKSA-N 1 2 362.821 0.909 10 70 FCIELO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160400436 488790967 /nfs/dbraw/zinc/79/09/67/488790967.db2.gz OTJRPQDHKRXHDU-ZWKOTPCHSA-N 1 2 370.457 0.745 10 70 FCIELO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160400436 488790969 /nfs/dbraw/zinc/79/09/69/488790969.db2.gz OTJRPQDHKRXHDU-ZWKOTPCHSA-N 1 2 370.457 0.745 10 70 FCIELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000160414653 488791671 /nfs/dbraw/zinc/79/16/71/488791671.db2.gz QQLZYTAJYDOHNP-JTQLQIEISA-N 1 2 357.208 0.229 10 70 FCIELO Cn1cc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000161373098 488796301 /nfs/dbraw/zinc/79/63/01/488796301.db2.gz JNASQXPGFQSENQ-INIZCTEOSA-N 1 2 350.444 0.460 10 70 FCIELO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1CC ZINC000160437107 488791666 /nfs/dbraw/zinc/79/16/66/488791666.db2.gz PWQUNGNFOSRDSF-CYBMUJFWSA-N 1 2 363.462 0.511 10 70 FCIELO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160734366 488793031 /nfs/dbraw/zinc/79/30/31/488793031.db2.gz FKXWMHWEIZMFMJ-MRXNPFEDSA-N 1 2 360.462 0.713 10 70 FCIELO CCOc1ccnc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000161449644 488796727 /nfs/dbraw/zinc/79/67/27/488796727.db2.gz AESKDEPLRNCATI-AWEZNQCLSA-N 1 2 356.430 0.983 10 70 FCIELO CC[C@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1nccs1 ZINC000161168534 488795215 /nfs/dbraw/zinc/79/52/15/488795215.db2.gz MAICXSMGTHJHRO-BDAKNGLRSA-N 1 2 351.432 0.435 10 70 FCIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000161338356 488796139 /nfs/dbraw/zinc/79/61/39/488796139.db2.gz GILPZOSDXILPCG-MRXNPFEDSA-N 1 2 370.457 0.999 10 70 FCIELO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000160021800 208825901 /nfs/dbraw/zinc/82/59/01/208825901.db2.gz VRAJCIVIWOWSEA-KRWDZBQOSA-N 1 2 360.458 0.844 10 70 FCIELO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000160021800 208825902 /nfs/dbraw/zinc/82/59/02/208825902.db2.gz VRAJCIVIWOWSEA-KRWDZBQOSA-N 1 2 360.458 0.844 10 70 FCIELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000159846770 488787928 /nfs/dbraw/zinc/78/79/28/488787928.db2.gz MMQBNEFUFWIDKI-CYBMUJFWSA-N 1 2 370.523 0.263 10 70 FCIELO COC(=O)Cn1cc(CC[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)nn1 ZINC000159942633 488788617 /nfs/dbraw/zinc/78/86/17/488788617.db2.gz YVCUKWNKQYHMNJ-GFCCVEGCSA-N 1 2 363.422 0.064 10 70 FCIELO COC(=O)Cn1cc(CC[N@@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)nn1 ZINC000159993363 488789091 /nfs/dbraw/zinc/78/90/91/488789091.db2.gz RFRBQUWPUAJALO-INIZCTEOSA-N 1 2 362.434 0.208 10 70 FCIELO COC(=O)Cn1cc(CC[N@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)nn1 ZINC000159993363 488789092 /nfs/dbraw/zinc/78/90/92/488789092.db2.gz RFRBQUWPUAJALO-INIZCTEOSA-N 1 2 362.434 0.208 10 70 FCIELO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1CC ZINC000160436966 488791751 /nfs/dbraw/zinc/79/17/51/488791751.db2.gz PWQUNGNFOSRDSF-ZDUSSCGKSA-N 1 2 363.462 0.511 10 70 FCIELO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160400298 208830658 /nfs/dbraw/zinc/83/06/58/208830658.db2.gz OTJRPQDHKRXHDU-ROUUACIJSA-N 1 2 370.457 0.745 10 70 FCIELO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160400298 208830660 /nfs/dbraw/zinc/83/06/60/208830660.db2.gz OTJRPQDHKRXHDU-ROUUACIJSA-N 1 2 370.457 0.745 10 70 FCIELO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000160167027 229197197 /nfs/dbraw/zinc/19/71/97/229197197.db2.gz VTCFJWPNJPEIAX-CQSZACIVSA-N 1 2 371.441 0.956 10 70 FCIELO CC(C)OC(=O)CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160148060 488789983 /nfs/dbraw/zinc/78/99/83/488789983.db2.gz KPLHPGOTGDCODE-UHFFFAOYSA-N 1 2 351.451 0.979 10 70 FCIELO O=S(=O)(CCCF)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000161478783 488797304 /nfs/dbraw/zinc/79/73/04/488797304.db2.gz DQNGRVOIUWQNLL-HNNXBMFYSA-N 1 2 360.451 0.733 10 70 FCIELO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000159846654 488787729 /nfs/dbraw/zinc/78/77/29/488787729.db2.gz MMQBNEFUFWIDKI-ZDUSSCGKSA-N 1 2 370.523 0.263 10 70 FCIELO CCc1noc(C)c1NC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160514495 488792075 /nfs/dbraw/zinc/79/20/75/488792075.db2.gz VSZZVTXNZNYSPN-UHFFFAOYSA-N 1 2 360.418 0.562 10 70 FCIELO CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000161449516 488796896 /nfs/dbraw/zinc/79/68/96/488796896.db2.gz AESKDEPLRNCATI-CQSZACIVSA-N 1 2 356.430 0.983 10 70 FCIELO O=S(=O)(CCCF)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000161478671 488797427 /nfs/dbraw/zinc/79/74/27/488797427.db2.gz DQNGRVOIUWQNLL-OAHLLOKOSA-N 1 2 360.451 0.733 10 70 FCIELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160405688 488790950 /nfs/dbraw/zinc/79/09/50/488790950.db2.gz FLMYZZJDOAHXGM-CYBMUJFWSA-N 1 2 362.821 0.909 10 70 FCIELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160405688 488790951 /nfs/dbraw/zinc/79/09/51/488790951.db2.gz FLMYZZJDOAHXGM-CYBMUJFWSA-N 1 2 362.821 0.909 10 70 FCIELO COC(=O)Cn1cc(CC[NH+]2CCN(Cc3cnc(C)s3)CC2)nn1 ZINC000159900711 488788040 /nfs/dbraw/zinc/78/80/40/488788040.db2.gz IPMJNCTUIBYPNF-UHFFFAOYSA-N 1 2 364.475 0.576 10 70 FCIELO COC(=O)Cn1cc(CCN2CC[NH+](Cc3cnc(C)s3)CC2)nn1 ZINC000159900711 488788043 /nfs/dbraw/zinc/78/80/43/488788043.db2.gz IPMJNCTUIBYPNF-UHFFFAOYSA-N 1 2 364.475 0.576 10 70 FCIELO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000161254601 488795516 /nfs/dbraw/zinc/79/55/16/488795516.db2.gz CGWQGPPLBGEPBC-ZDUSSCGKSA-N 1 2 361.475 0.967 10 70 FCIELO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000161254601 488795518 /nfs/dbraw/zinc/79/55/18/488795518.db2.gz CGWQGPPLBGEPBC-ZDUSSCGKSA-N 1 2 361.475 0.967 10 70 FCIELO CNc1ncc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000159736038 488787368 /nfs/dbraw/zinc/78/73/68/488787368.db2.gz FJRARUGNNMSPDG-UHFFFAOYSA-N 1 2 351.476 0.955 10 70 FCIELO CNc1ncc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000159736038 488787369 /nfs/dbraw/zinc/78/73/69/488787369.db2.gz FJRARUGNNMSPDG-UHFFFAOYSA-N 1 2 351.476 0.955 10 70 FCIELO Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)n2)cc1 ZINC000160446131 488791699 /nfs/dbraw/zinc/79/16/99/488791699.db2.gz 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C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161058081 488794695 /nfs/dbraw/zinc/79/46/95/488794695.db2.gz CJDIHBUPDRZEQI-KCYZZUKISA-N 1 2 358.504 0.647 10 70 FCIELO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161058081 488794698 /nfs/dbraw/zinc/79/46/98/488794698.db2.gz CJDIHBUPDRZEQI-KCYZZUKISA-N 1 2 358.504 0.647 10 70 FCIELO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000160167145 229196670 /nfs/dbraw/zinc/19/66/70/229196670.db2.gz VTCFJWPNJPEIAX-AWEZNQCLSA-N 1 2 371.441 0.956 10 70 FCIELO CC(C)CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000159780046 488787377 /nfs/dbraw/zinc/78/73/77/488787377.db2.gz KHBURBRLRWJWRV-JYJNAYRXSA-N 1 2 360.520 0.751 10 70 FCIELO CC(C)CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000159780046 488787378 /nfs/dbraw/zinc/78/73/78/488787378.db2.gz KHBURBRLRWJWRV-JYJNAYRXSA-N 1 2 360.520 0.751 10 70 FCIELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(N2CCNC2=O)ccc1F ZINC000160400546 488791267 /nfs/dbraw/zinc/79/12/67/488791267.db2.gz APKAUGVYBMDLQL-CQSZACIVSA-N 1 2 362.405 0.948 10 70 FCIELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(N2CCNC2=O)ccc1F ZINC000160400546 488791269 /nfs/dbraw/zinc/79/12/69/488791269.db2.gz APKAUGVYBMDLQL-CQSZACIVSA-N 1 2 362.405 0.948 10 70 FCIELO CC[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1nccs1 ZINC000161168429 488795249 /nfs/dbraw/zinc/79/52/49/488795249.db2.gz MAICXSMGTHJHRO-DTWKUNHWSA-N 1 2 351.432 0.435 10 70 FCIELO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000159624835 488786492 /nfs/dbraw/zinc/78/64/92/488786492.db2.gz XYIINTHCKBGLAL-OXJNMPFZSA-N 1 2 357.454 0.884 10 70 FCIELO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000159624835 488786495 /nfs/dbraw/zinc/78/64/95/488786495.db2.gz XYIINTHCKBGLAL-OXJNMPFZSA-N 1 2 357.454 0.884 10 70 FCIELO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000160040714 488788730 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352.435 0.957 10 70 FCIELO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160400038 488791029 /nfs/dbraw/zinc/79/10/29/488791029.db2.gz OTJRPQDHKRXHDU-MSOLQXFVSA-N 1 2 370.457 0.745 10 70 FCIELO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160400038 488791031 /nfs/dbraw/zinc/79/10/31/488791031.db2.gz OTJRPQDHKRXHDU-MSOLQXFVSA-N 1 2 370.457 0.745 10 70 FCIELO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000160021966 488788895 /nfs/dbraw/zinc/78/88/95/488788895.db2.gz VRAJCIVIWOWSEA-QGZVFWFLSA-N 1 2 360.458 0.844 10 70 FCIELO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000160021966 488788896 /nfs/dbraw/zinc/78/88/96/488788896.db2.gz VRAJCIVIWOWSEA-QGZVFWFLSA-N 1 2 360.458 0.844 10 70 FCIELO CCNC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160734238 488793126 /nfs/dbraw/zinc/79/31/26/488793126.db2.gz FKXWMHWEIZMFMJ-INIZCTEOSA-N 1 2 360.462 0.713 10 70 FCIELO