smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159725177 186137256 /nfs/dbraw/zinc/13/72/56/186137256.db2.gz XWGYAOHJFJXKFU-OAHLLOKOSA-N 1 2 307.825 2.471 10 70 DEIELO O=C1CC[C@@H]2C[N@H+](Cc3cnc(Cl)cc3Cl)CC[C@H]2N1 ZINC000159758740 186139943 /nfs/dbraw/zinc/13/99/43/186139943.db2.gz VBRMALFMGHQPTE-BXKDBHETSA-N 1 2 314.216 2.489 10 70 DEIELO O=C1CC[C@@H]2C[N@@H+](Cc3cnc(Cl)cc3Cl)CC[C@H]2N1 ZINC000159758740 186139945 /nfs/dbraw/zinc/13/99/45/186139945.db2.gz VBRMALFMGHQPTE-BXKDBHETSA-N 1 2 314.216 2.489 10 70 DEIELO Cc1noc(C)c1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159586744 526503962 /nfs/dbraw/zinc/50/39/62/526503962.db2.gz KZJHQHABCUPEMS-ZFWWWQNUSA-N 1 2 306.362 2.209 10 70 DEIELO Cc1noc(C)c1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159586744 526503972 /nfs/dbraw/zinc/50/39/72/526503972.db2.gz KZJHQHABCUPEMS-ZFWWWQNUSA-N 1 2 306.362 2.209 10 70 DEIELO CC(C)[C@H](O)CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000159394736 197350298 /nfs/dbraw/zinc/35/02/98/197350298.db2.gz BZVPSFKLKZJSDN-MRXNPFEDSA-N 1 2 319.449 2.485 10 70 DEIELO CCCCc1nc(C[N@@H+]2CCC[C@H](c3nncn3CC)C2)no1 ZINC000161355807 402384832 /nfs/dbraw/zinc/38/48/32/402384832.db2.gz IIFTXWONRNKSIX-ZDUSSCGKSA-N 1 2 318.425 2.403 10 70 DEIELO CCCCc1nc(C[N@H+]2CCC[C@H](c3nncn3CC)C2)no1 ZINC000161355807 402384834 /nfs/dbraw/zinc/38/48/34/402384834.db2.gz IIFTXWONRNKSIX-ZDUSSCGKSA-N 1 2 318.425 2.403 10 70 DEIELO C[C@]1(O)CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000160122645 402336507 /nfs/dbraw/zinc/33/65/07/402336507.db2.gz JEOOEYAZPAJLRC-HNNXBMFYSA-N 1 2 322.796 2.044 10 70 DEIELO Cc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc(-c2cccnc2)[nH+]1 ZINC000159608349 186130523 /nfs/dbraw/zinc/13/05/23/186130523.db2.gz VBKKSNXQYBRVCX-UONOGXRCSA-N 1 2 311.389 2.303 10 70 DEIELO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000161444942 402387809 /nfs/dbraw/zinc/38/78/09/402387809.db2.gz SMDTVKQKOZPQMG-OAHLLOKOSA-N 1 2 301.394 2.045 10 70 DEIELO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000161444942 402387810 /nfs/dbraw/zinc/38/78/10/402387810.db2.gz SMDTVKQKOZPQMG-OAHLLOKOSA-N 1 2 301.394 2.045 10 70 DEIELO C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000160803349 402361417 /nfs/dbraw/zinc/36/14/17/402361417.db2.gz NPIICFSZGBVFDP-ZBFHGGJFSA-N 1 2 308.466 2.382 10 70 DEIELO CC[C@H]1CCCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160917939 402365548 /nfs/dbraw/zinc/36/55/48/402365548.db2.gz AYHHOJNCPHQPJS-HNNXBMFYSA-N 1 2 311.470 2.461 10 70 DEIELO COC(=O)[C@H](c1cccnc1)[N@H+](C)CCc1ccccc1OC ZINC000159859159 197369055 /nfs/dbraw/zinc/36/90/55/197369055.db2.gz YUQZMGKZQIUTDZ-KRWDZBQOSA-N 1 2 314.385 2.479 10 70 DEIELO COC(=O)[C@H](c1cccnc1)[N@@H+](C)CCc1ccccc1OC ZINC000159859159 197369057 /nfs/dbraw/zinc/36/90/57/197369057.db2.gz YUQZMGKZQIUTDZ-KRWDZBQOSA-N 1 2 314.385 2.479 10 70 DEIELO Cn1cc[nH+]c1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160901903 402364858 /nfs/dbraw/zinc/36/48/58/402364858.db2.gz NYMCWFLYWYAAPK-ZDUSSCGKSA-N 1 2 300.410 2.075 10 70 DEIELO C[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCOCC1 ZINC000159693059 402328281 /nfs/dbraw/zinc/32/82/81/402328281.db2.gz VOUKNZLKNJTHQR-CABCVRRESA-N 1 2 319.449 2.264 10 70 DEIELO CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000160364711 518526114 /nfs/dbraw/zinc/52/61/14/518526114.db2.gz PTGIHJQACPJVNB-MRXNPFEDSA-N 1 2 320.408 2.083 10 70 DEIELO CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000160364711 518526121 /nfs/dbraw/zinc/52/61/21/518526121.db2.gz PTGIHJQACPJVNB-MRXNPFEDSA-N 1 2 320.408 2.083 10 70 DEIELO COC[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160736476 402359003 /nfs/dbraw/zinc/35/90/03/402359003.db2.gz OWEHFBZZIMJHJX-NZVBXONLSA-N 1 2 312.360 2.109 10 70 DEIELO COC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160736476 402359006 /nfs/dbraw/zinc/35/90/06/402359006.db2.gz OWEHFBZZIMJHJX-NZVBXONLSA-N 1 2 312.360 2.109 10 70 DEIELO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000160106491 402336398 /nfs/dbraw/zinc/33/63/98/402336398.db2.gz BVGSGHVTLIGHBX-KBPBESRZSA-N 1 2 308.426 2.209 10 70 DEIELO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000160106491 402336399 /nfs/dbraw/zinc/33/63/99/402336399.db2.gz BVGSGHVTLIGHBX-KBPBESRZSA-N 1 2 308.426 2.209 10 70 DEIELO CSCCCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159478996 525403670 /nfs/dbraw/zinc/40/36/70/525403670.db2.gz IYMKHVBWIBUBQI-UHFFFAOYSA-N 1 2 304.419 2.417 10 70 DEIELO Cc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000159607469 539582579 /nfs/dbraw/zinc/58/25/79/539582579.db2.gz HCIHUIMFZSQTFP-UONOGXRCSA-N 1 2 311.389 2.303 10 70 DEIELO CC(C)[C@@H](O)CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000159394849 197350425 /nfs/dbraw/zinc/35/04/25/197350425.db2.gz BZVPSFKLKZJSDN-INIZCTEOSA-N 1 2 319.449 2.485 10 70 DEIELO C[C@H](CSCc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000161118939 524614598 /nfs/dbraw/zinc/61/45/98/524614598.db2.gz HKNNZTAUGPIMMP-ZBFHGGJFSA-N 1 2 322.474 2.003 10 70 DEIELO C[C@H](CSCc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000161118939 524614604 /nfs/dbraw/zinc/61/46/04/524614604.db2.gz HKNNZTAUGPIMMP-ZBFHGGJFSA-N 1 2 322.474 2.003 10 70 DEIELO Cc1cc(N[C@H]2CCCC[C@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000159607895 539582899 /nfs/dbraw/zinc/58/28/99/539582899.db2.gz HCIHUIMFZSQTFP-KGLIPLIRSA-N 1 2 311.389 2.303 10 70 DEIELO O[C@@H](C[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccccc1)c1ccco1 ZINC000159605766 186130008 /nfs/dbraw/zinc/13/00/08/186130008.db2.gz NYEJTKBQSWPDLA-YESZJQIVSA-N 1 2 317.385 2.138 10 70 DEIELO O[C@@H](C[C@H]1COCC[N@H+]1C[C@@H](O)c1ccccc1)c1ccco1 ZINC000159605766 186130010 /nfs/dbraw/zinc/13/00/10/186130010.db2.gz NYEJTKBQSWPDLA-YESZJQIVSA-N 1 2 317.385 2.138 10 70 DEIELO C[C@H](CNC(=O)[C@]1(C)CCCc2ccccc21)[NH+]1CCOCC1 ZINC000159987457 197379105 /nfs/dbraw/zinc/37/91/05/197379105.db2.gz OHVRILSXGPFFPD-DNVCBOLYSA-N 1 2 316.445 2.118 10 70 DEIELO Clc1cc(Cl)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000159736719 186138702 /nfs/dbraw/zinc/13/87/02/186138702.db2.gz ZZZBCRUGMSZRCH-GFCCVEGCSA-N 1 2 316.232 2.295 10 70 DEIELO Clc1cc(Cl)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000159736719 186138703 /nfs/dbraw/zinc/13/87/03/186138703.db2.gz ZZZBCRUGMSZRCH-GFCCVEGCSA-N 1 2 316.232 2.295 10 70 DEIELO Clc1cc(Cl)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000159736719 186138705 /nfs/dbraw/zinc/13/87/05/186138705.db2.gz ZZZBCRUGMSZRCH-GFCCVEGCSA-N 1 2 316.232 2.295 10 70 DEIELO Cc1nnc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000159474241 197356138 /nfs/dbraw/zinc/35/61/38/197356138.db2.gz CNJNQYVQDNHTIL-LBPRGKRZSA-N 1 2 304.369 2.396 10 70 DEIELO C[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCOCC1 ZINC000159692747 402328300 /nfs/dbraw/zinc/32/83/00/402328300.db2.gz VOUKNZLKNJTHQR-HUUCEWRRSA-N 1 2 319.449 2.264 10 70 DEIELO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160550224 402350497 /nfs/dbraw/zinc/35/04/97/402350497.db2.gz AHNVTSMSNPPILI-ZDUSSCGKSA-N 1 2 323.404 2.326 10 70 DEIELO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000161444805 402387664 /nfs/dbraw/zinc/38/76/64/402387664.db2.gz SMDTVKQKOZPQMG-HNNXBMFYSA-N 1 2 301.394 2.045 10 70 DEIELO CCCn1c(C)nnc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000161444805 402387666 /nfs/dbraw/zinc/38/76/66/402387666.db2.gz SMDTVKQKOZPQMG-HNNXBMFYSA-N 1 2 301.394 2.045 10 70 DEIELO CC(C)[C@H](O)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000161379990 402385391 /nfs/dbraw/zinc/38/53/91/402385391.db2.gz FXILGPJBAADFDO-CZUORRHYSA-N 1 2 301.390 2.457 10 70 DEIELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000160106347 402336384 /nfs/dbraw/zinc/33/63/84/402336384.db2.gz BVGSGHVTLIGHBX-KGLIPLIRSA-N 1 2 308.426 2.209 10 70 DEIELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000160106347 402336385 /nfs/dbraw/zinc/33/63/85/402336385.db2.gz BVGSGHVTLIGHBX-KGLIPLIRSA-N 1 2 308.426 2.209 10 70 DEIELO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000159451069 526043846 /nfs/dbraw/zinc/04/38/46/526043846.db2.gz SPGGOENMUQAOPY-QGZVFWFLSA-N 1 2 313.401 2.165 10 70 DEIELO Cc1ccc(C(=O)CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000159451069 526043853 /nfs/dbraw/zinc/04/38/53/526043853.db2.gz SPGGOENMUQAOPY-QGZVFWFLSA-N 1 2 313.401 2.165 10 70 DEIELO Clc1cc(Cl)c(CN2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000159736584 186138686 /nfs/dbraw/zinc/13/86/86/186138686.db2.gz ZZZBCRUGMSZRCH-LBPRGKRZSA-N 1 2 316.232 2.295 10 70 DEIELO Clc1cc(Cl)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cn1 ZINC000159736584 186138687 /nfs/dbraw/zinc/13/86/87/186138687.db2.gz ZZZBCRUGMSZRCH-LBPRGKRZSA-N 1 2 316.232 2.295 10 70 DEIELO Clc1cc(Cl)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)cn1 ZINC000159736584 186138689 /nfs/dbraw/zinc/13/86/89/186138689.db2.gz ZZZBCRUGMSZRCH-LBPRGKRZSA-N 1 2 316.232 2.295 10 70 DEIELO Cn1cc[nH+]c1CN(C(=O)c1cccc(N)c1Cl)C1CC1 ZINC000160273211 197396389 /nfs/dbraw/zinc/39/63/89/197396389.db2.gz GPXIJQMZEZJIFO-UHFFFAOYSA-N 1 2 304.781 2.461 10 70 DEIELO C[C@H](CSCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000161118689 524615081 /nfs/dbraw/zinc/61/50/81/524615081.db2.gz HKNNZTAUGPIMMP-GDBMZVCRSA-N 1 2 322.474 2.003 10 70 DEIELO C[C@H](CSCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000161118689 524615091 /nfs/dbraw/zinc/61/50/91/524615091.db2.gz HKNNZTAUGPIMMP-GDBMZVCRSA-N 1 2 322.474 2.003 10 70 DEIELO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000159450874 526046178 /nfs/dbraw/zinc/04/61/78/526046178.db2.gz SPGGOENMUQAOPY-KRWDZBQOSA-N 1 2 313.401 2.165 10 70 DEIELO Cc1ccc(C(=O)CC[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000159450874 526046187 /nfs/dbraw/zinc/04/61/87/526046187.db2.gz SPGGOENMUQAOPY-KRWDZBQOSA-N 1 2 313.401 2.165 10 70 DEIELO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000160174146 539585723 /nfs/dbraw/zinc/58/57/23/539585723.db2.gz RBTBRRKESJGFJW-CQSZACIVSA-N 1 2 304.438 2.343 10 70 DEIELO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1-n1cccn1 ZINC000160273744 197396723 /nfs/dbraw/zinc/39/67/23/197396723.db2.gz MUFNAKTYYHNFRR-AWEZNQCLSA-N 1 2 324.388 2.129 10 70 DEIELO O=S(=O)(Cc1cn2cc(Cl)ccc2[nH+]1)C1CCOCC1 ZINC000160041218 197382087 /nfs/dbraw/zinc/38/20/87/197382087.db2.gz BTYMHKZMMBMFPN-UHFFFAOYSA-N 1 2 314.794 2.082 10 70 DEIELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCC2CC2)CC1 ZINC000159479565 402324008 /nfs/dbraw/zinc/32/40/08/402324008.db2.gz OYBAQOUKHODSHF-AWEZNQCLSA-N 1 2 319.424 2.031 10 70 DEIELO CCOC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160664576 402356193 /nfs/dbraw/zinc/35/61/93/402356193.db2.gz OKCJVFIUYZMKHB-ZDUSSCGKSA-N 1 2 306.410 2.095 10 70 DEIELO CCOC(=O)CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160664576 402356194 /nfs/dbraw/zinc/35/61/94/402356194.db2.gz OKCJVFIUYZMKHB-ZDUSSCGKSA-N 1 2 306.410 2.095 10 70 DEIELO O[C@@]12CCCC[C@H]1C[N@H+](Cc1noc(C3CCOCC3)n1)CC2 ZINC000161146236 402375171 /nfs/dbraw/zinc/37/51/71/402375171.db2.gz JGVHVOUSJQTHNY-WMLDXEAASA-N 1 2 321.421 2.091 10 70 DEIELO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1noc(C3CCOCC3)n1)CC2 ZINC000161146236 402375174 /nfs/dbraw/zinc/37/51/74/402375174.db2.gz JGVHVOUSJQTHNY-WMLDXEAASA-N 1 2 321.421 2.091 10 70 DEIELO CC(C)[C@H](O)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000161379765 402385286 /nfs/dbraw/zinc/38/52/86/402385286.db2.gz FXILGPJBAADFDO-XJKSGUPXSA-N 1 2 301.390 2.457 10 70 DEIELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccccc1 ZINC000161215612 291673337 /nfs/dbraw/zinc/67/33/37/291673337.db2.gz ISCRMCCRHHVORN-UHFFFAOYSA-N 1 2 321.402 2.018 10 70 DEIELO Cc1nnc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000159474369 197356679 /nfs/dbraw/zinc/35/66/79/197356679.db2.gz CNJNQYVQDNHTIL-GFCCVEGCSA-N 1 2 304.369 2.396 10 70 DEIELO CCn1cnnc1[C@H]1CCC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000161355666 402384452 /nfs/dbraw/zinc/38/44/52/402384452.db2.gz LNYDUTZVUDXHNH-LBPRGKRZSA-N 1 2 304.398 2.184 10 70 DEIELO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000161355666 402384455 /nfs/dbraw/zinc/38/44/55/402384455.db2.gz LNYDUTZVUDXHNH-LBPRGKRZSA-N 1 2 304.398 2.184 10 70 DEIELO CC(=O)Nc1cccc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)c1 ZINC000161185010 539590611 /nfs/dbraw/zinc/59/06/11/539590611.db2.gz BYQXTKCMFSZDQX-LBPRGKRZSA-N 1 2 312.373 2.420 10 70 DEIELO CC(=O)Nc1cccc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)c1 ZINC000161185010 539590615 /nfs/dbraw/zinc/59/06/15/539590615.db2.gz BYQXTKCMFSZDQX-LBPRGKRZSA-N 1 2 312.373 2.420 10 70 DEIELO C[C@H]1OCC[C@H]1N(C)c1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000159458959 197354894 /nfs/dbraw/zinc/35/48/94/197354894.db2.gz XHDXJYIKLXQNOR-QMTHXVAHSA-N 1 2 305.447 2.208 10 70 DEIELO O[C@@H](C[C@H]1COCC[N@@H+]1CCOc1ccccc1)c1ccco1 ZINC000159418668 197352001 /nfs/dbraw/zinc/35/20/01/197352001.db2.gz DIAHQBRBLAPHNU-RDJZCZTQSA-N 1 2 317.385 2.483 10 70 DEIELO O[C@@H](C[C@H]1COCC[N@H+]1CCOc1ccccc1)c1ccco1 ZINC000159418668 197352003 /nfs/dbraw/zinc/35/20/03/197352003.db2.gz DIAHQBRBLAPHNU-RDJZCZTQSA-N 1 2 317.385 2.483 10 70 DEIELO CCOc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000161456138 402388345 /nfs/dbraw/zinc/38/83/45/402388345.db2.gz PTRIHTYECDIDOM-CYBMUJFWSA-N 1 2 317.364 2.300 10 70 DEIELO CC1=C(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCO1 ZINC000159689215 186135715 /nfs/dbraw/zinc/13/57/15/186135715.db2.gz QBVZZBAPCFHGBX-CQSZACIVSA-N 1 2 303.406 2.286 10 70 DEIELO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cn1 ZINC000160604279 402353376 /nfs/dbraw/zinc/35/33/76/402353376.db2.gz YPECQLIAQCAQMT-CQSZACIVSA-N 1 2 300.410 2.075 10 70 DEIELO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cn1 ZINC000160604279 402353379 /nfs/dbraw/zinc/35/33/79/402353379.db2.gz YPECQLIAQCAQMT-CQSZACIVSA-N 1 2 300.410 2.075 10 70 DEIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000161276977 402380101 /nfs/dbraw/zinc/38/01/01/402380101.db2.gz UYXCMCRMWNNLNB-LLVKDONJSA-N 1 2 308.817 2.065 10 70 DEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000161276977 402380104 /nfs/dbraw/zinc/38/01/04/402380104.db2.gz UYXCMCRMWNNLNB-LLVKDONJSA-N 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CC[NH+]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159725034 186137156 /nfs/dbraw/zinc/13/71/56/186137156.db2.gz XWGYAOHJFJXKFU-HNNXBMFYSA-N 1 2 307.825 2.471 10 70 DEIELO CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000160423160 402344715 /nfs/dbraw/zinc/34/47/15/402344715.db2.gz ZVCURZMVDLJKKV-MRXNPFEDSA-N 1 2 320.408 2.083 10 70 DEIELO CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000160423160 402344717 /nfs/dbraw/zinc/34/47/17/402344717.db2.gz ZVCURZMVDLJKKV-MRXNPFEDSA-N 1 2 320.408 2.083 10 70 DEIELO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CCc1ccccc1OC ZINC000159859309 402332280 /nfs/dbraw/zinc/33/22/80/402332280.db2.gz YUQZMGKZQIUTDZ-QGZVFWFLSA-N 1 2 314.385 2.479 10 70 DEIELO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CCc1ccccc1OC ZINC000159859309 402332284 /nfs/dbraw/zinc/33/22/84/402332284.db2.gz YUQZMGKZQIUTDZ-QGZVFWFLSA-N 1 2 314.385 2.479 10 70 DEIELO CC(C)[C@H](O)CC(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000159725577 186137207 /nfs/dbraw/zinc/13/72/07/186137207.db2.gz CGDURFNUSBMHAJ-MRXNPFEDSA-N 1 2 308.422 2.363 10 70 DEIELO CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160396028 197406674 /nfs/dbraw/zinc/40/66/74/197406674.db2.gz JZTIAPCABYVOPM-AWEZNQCLSA-N 1 2 301.365 2.286 10 70 DEIELO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1-n1cccn1 ZINC000160273860 197396698 /nfs/dbraw/zinc/39/66/98/197396698.db2.gz MUFNAKTYYHNFRR-CQSZACIVSA-N 1 2 324.388 2.129 10 70 DEIELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCC2CC2)CC1 ZINC000159479679 291655631 /nfs/dbraw/zinc/65/56/31/291655631.db2.gz OYBAQOUKHODSHF-CQSZACIVSA-N 1 2 319.424 2.031 10 70 DEIELO CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000160423300 402344921 /nfs/dbraw/zinc/34/49/21/402344921.db2.gz ZVCURZMVDLJKKV-INIZCTEOSA-N 1 2 320.408 2.083 10 70 DEIELO CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc(F)c1 ZINC000160423300 402344923 /nfs/dbraw/zinc/34/49/23/402344923.db2.gz ZVCURZMVDLJKKV-INIZCTEOSA-N 1 2 320.408 2.083 10 70 DEIELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160755552 402359857 /nfs/dbraw/zinc/35/98/57/402359857.db2.gz CREKNKKUIZTYAA-ZDUSSCGKSA-N 1 2 319.840 2.347 10 70 DEIELO CN(C)c1[nH+]cccc1CNC(=O)NC[C@]1(C)CCCS1 ZINC000160253210 402339441 /nfs/dbraw/zinc/33/94/41/402339441.db2.gz IFOSFBWIDJRRDY-HNNXBMFYSA-N 1 2 308.451 2.233 10 70 DEIELO CN(C)c1[nH+]cccc1CNC(=O)NC[C@@]1(C)CCCS1 ZINC000160253081 402339520 /nfs/dbraw/zinc/33/95/20/402339520.db2.gz IFOSFBWIDJRRDY-OAHLLOKOSA-N 1 2 308.451 2.233 10 70 DEIELO Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2[nH+]ccn2C)o1 ZINC000160819298 293870783 /nfs/dbraw/zinc/87/07/83/293870783.db2.gz SNJHUBOVMVKEHH-HNNXBMFYSA-N 1 2 309.373 2.411 10 70 DEIELO Cn1ccnc1[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccs1 ZINC000159871414 197369699 /nfs/dbraw/zinc/36/96/99/197369699.db2.gz CVQKXQWOBUWLIX-CYBMUJFWSA-N 1 2 306.435 2.075 10 70 DEIELO CC(C)Cn1cc[nH+]c1CNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000159385962 291653756 /nfs/dbraw/zinc/65/37/56/291653756.db2.gz HCRYFYKNCJWTMM-CHWSQXEVSA-N 1 2 308.426 2.294 10 70 DEIELO C[C@H]1OCC[C@@H]1N(C)c1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000159459233 197354979 /nfs/dbraw/zinc/35/49/79/197354979.db2.gz XHDXJYIKLXQNOR-YGRLFVJLSA-N 1 2 305.447 2.208 10 70 DEIELO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160901771 402364864 /nfs/dbraw/zinc/36/48/64/402364864.db2.gz NYMCWFLYWYAAPK-CYBMUJFWSA-N 1 2 300.410 2.075 10 70 DEIELO Cc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000159607762 539582533 /nfs/dbraw/zinc/58/25/33/539582533.db2.gz HCIHUIMFZSQTFP-ZIAGYGMSSA-N 1 2 311.389 2.303 10 70 DEIELO Cc1nnc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n1C1CC1 ZINC000160909297 402365164 /nfs/dbraw/zinc/36/51/64/402365164.db2.gz AWJWRSASMNXRGM-CQSZACIVSA-N 1 2 312.421 2.250 10 70 DEIELO Cc1nnc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)n1C1CC1 ZINC000160909297 402365165 /nfs/dbraw/zinc/36/51/65/402365165.db2.gz AWJWRSASMNXRGM-CQSZACIVSA-N 1 2 312.421 2.250 10 70 DEIELO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc2nc(C)cc(C)n12 ZINC000161260854 402379306 /nfs/dbraw/zinc/37/93/06/402379306.db2.gz VJABPMHRGRVPQP-HNNXBMFYSA-N 1 2 316.405 2.264 10 70 DEIELO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc2nc(C)cc(C)n12 ZINC000161260854 402379309 /nfs/dbraw/zinc/37/93/09/402379309.db2.gz VJABPMHRGRVPQP-HNNXBMFYSA-N 1 2 316.405 2.264 10 70 DEIELO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)c1 ZINC000161184912 539590255 /nfs/dbraw/zinc/59/02/55/539590255.db2.gz BYQXTKCMFSZDQX-GFCCVEGCSA-N 1 2 312.373 2.420 10 70 DEIELO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)c1 ZINC000161184912 539590259 /nfs/dbraw/zinc/59/02/59/539590259.db2.gz BYQXTKCMFSZDQX-GFCCVEGCSA-N 1 2 312.373 2.420 10 70 DEIELO COc1ccccc1-c1nnc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000160277232 402339822 /nfs/dbraw/zinc/33/98/22/402339822.db2.gz ZGAHDMSOLJLCME-GFCCVEGCSA-N 1 2 303.362 2.356 10 70 DEIELO COc1ccccc1-c1nnc(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000160277232 402339824 /nfs/dbraw/zinc/33/98/24/402339824.db2.gz ZGAHDMSOLJLCME-GFCCVEGCSA-N 1 2 303.362 2.356 10 70 DEIELO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160380692 402343500 /nfs/dbraw/zinc/34/35/00/402343500.db2.gz WLTOCDPVUPMHJL-CQSZACIVSA-N 1 2 313.401 2.069 10 70 DEIELO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160380692 402343503 /nfs/dbraw/zinc/34/35/03/402343503.db2.gz WLTOCDPVUPMHJL-CQSZACIVSA-N 1 2 313.401 2.069 10 70 DEIELO C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000160803437 402361565 /nfs/dbraw/zinc/36/15/65/402361565.db2.gz NPIICFSZGBVFDP-HOCLYGCPSA-N 1 2 308.466 2.382 10 70 DEIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000161284322 402380732 /nfs/dbraw/zinc/38/07/32/402380732.db2.gz YOUYIPXNKPINBN-CYBMUJFWSA-N 1 2 318.425 2.259 10 70 DEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000161284322 402380735 /nfs/dbraw/zinc/38/07/35/402380735.db2.gz YOUYIPXNKPINBN-CYBMUJFWSA-N 1 2 318.425 2.259 10 70 DEIELO Cc1ccc(C)c(N(C[C@@H](O)C[NH+]2CCOCC2)C(C)C)c1 ZINC000160728253 402358633 /nfs/dbraw/zinc/35/86/33/402358633.db2.gz PFUQJTQXNHVBGD-KRWDZBQOSA-N 1 2 306.450 2.211 10 70 DEIELO CCCCc1noc(C[N@@H+]2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161277513 402379996 /nfs/dbraw/zinc/37/99/96/402379996.db2.gz UZURLQGHPCGIBJ-ZDUSSCGKSA-N 1 2 318.425 2.403 10 70 DEIELO CCCCc1noc(C[N@H+]2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161277513 402380000 /nfs/dbraw/zinc/38/00/00/402380000.db2.gz UZURLQGHPCGIBJ-ZDUSSCGKSA-N 1 2 318.425 2.403 10 70 DEIELO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cn1 ZINC000160604404 402353367 /nfs/dbraw/zinc/35/33/67/402353367.db2.gz YPECQLIAQCAQMT-AWEZNQCLSA-N 1 2 300.410 2.075 10 70 DEIELO Cn1cc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cn1 ZINC000160604404 402353369 /nfs/dbraw/zinc/35/33/69/402353369.db2.gz YPECQLIAQCAQMT-AWEZNQCLSA-N 1 2 300.410 2.075 10 70 DEIELO Cc1ccc(C)c(N(C[C@H](O)C[NH+]2CCOCC2)C(C)C)c1 ZINC000160728094 402358407 /nfs/dbraw/zinc/35/84/07/402358407.db2.gz PFUQJTQXNHVBGD-QGZVFWFLSA-N 1 2 306.450 2.211 10 70 DEIELO COc1cccc(CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161237992 402378839 /nfs/dbraw/zinc/37/88/39/402378839.db2.gz RCSZJBSEKUQQNH-HNNXBMFYSA-N 1 2 313.401 2.203 10 70 DEIELO CCCCc1nc(Cl)c(C[NH2+]CC(=O)NC(C)(C)C)[nH]1 ZINC000159867255 197370212 /nfs/dbraw/zinc/37/02/12/197370212.db2.gz KTRHTGMJNAAEDA-UHFFFAOYSA-N 1 2 300.834 2.410 10 70 DEIELO CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000160588640 402352717 /nfs/dbraw/zinc/35/27/17/402352717.db2.gz JCNGJVQXTSQADZ-OAHLLOKOSA-N 1 2 319.430 2.086 10 70 DEIELO CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000160588640 402352719 /nfs/dbraw/zinc/35/27/19/402352719.db2.gz JCNGJVQXTSQADZ-OAHLLOKOSA-N 1 2 319.430 2.086 10 70 DEIELO Cc1noc(C)c1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159586869 186128719 /nfs/dbraw/zinc/12/87/19/186128719.db2.gz KZJHQHABCUPEMS-HIFRSBDPSA-N 1 2 306.362 2.209 10 70 DEIELO Cc1noc(C)c1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159586869 186128720 /nfs/dbraw/zinc/12/87/20/186128720.db2.gz KZJHQHABCUPEMS-HIFRSBDPSA-N 1 2 306.362 2.209 10 70 DEIELO COc1cccc(CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161237888 402379104 /nfs/dbraw/zinc/37/91/04/402379104.db2.gz RCSZJBSEKUQQNH-OAHLLOKOSA-N 1 2 313.401 2.203 10 70 DEIELO CCC[C@H](C(=O)Nc1nc(-c2ccccc2OC)n[nH]1)[NH+](C)C ZINC000159982300 520990559 /nfs/dbraw/zinc/99/05/59/520990559.db2.gz LZAGHMXFZVNZAA-GFCCVEGCSA-N 1 2 317.393 2.149 10 70 DEIELO CC(C)Cn1cc[nH+]c1CNC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000159385832 402322941 /nfs/dbraw/zinc/32/29/41/402322941.db2.gz HCRYFYKNCJWTMM-STQMWFEESA-N 1 2 308.426 2.294 10 70 DEIELO O=C(CC/C=C/c1ccccc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160363188 402342585 /nfs/dbraw/zinc/34/25/85/402342585.db2.gz RUPLIQCFIKSMSJ-PYJQOMOHSA-N 1 2 314.429 2.459 10 70 DEIELO O=C(CC/C=C/c1ccccc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160363188 402342588 /nfs/dbraw/zinc/34/25/88/402342588.db2.gz RUPLIQCFIKSMSJ-PYJQOMOHSA-N 1 2 314.429 2.459 10 70 DEIELO CCC(CC)(CC)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000159866038 402332020 /nfs/dbraw/zinc/33/20/20/402332020.db2.gz ZYBABKDHGKRYGS-HNNXBMFYSA-N 1 2 311.470 2.319 10 70 DEIELO CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000159647997 519795968 /nfs/dbraw/zinc/79/59/68/519795968.db2.gz HWURSVIAWYFQEF-FUHWJXTLSA-N 1 2 318.461 2.338 10 70 DEIELO C[C@@H](CSCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000161118566 524840035 /nfs/dbraw/zinc/84/00/35/524840035.db2.gz HKNNZTAUGPIMMP-GOEBONIOSA-N 1 2 322.474 2.003 10 70 DEIELO C[C@@H](CSCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000161118566 524840043 /nfs/dbraw/zinc/84/00/43/524840043.db2.gz HKNNZTAUGPIMMP-GOEBONIOSA-N 1 2 322.474 2.003 10 70 DEIELO CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000161379899 402385213 /nfs/dbraw/zinc/38/52/13/402385213.db2.gz FXILGPJBAADFDO-BBRMVZONSA-N 1 2 301.390 2.457 10 70 DEIELO O=C(CC/C=C/c1ccccc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160363050 526326794 /nfs/dbraw/zinc/32/67/94/526326794.db2.gz RUPLIQCFIKSMSJ-SBLNNXNXSA-N 1 2 314.429 2.459 10 70 DEIELO O=C(CC/C=C/c1ccccc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160363050 526326797 /nfs/dbraw/zinc/32/67/97/526326797.db2.gz RUPLIQCFIKSMSJ-SBLNNXNXSA-N 1 2 314.429 2.459 10 70 DEIELO CCOC(=O)CC[C@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000161025662 402369765 /nfs/dbraw/zinc/36/97/65/402369765.db2.gz XYPMGXWERNUNBL-NSHDSACASA-N 1 2 309.414 2.205 10 70 DEIELO CCOC(=O)CC[C@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000161025662 402369767 /nfs/dbraw/zinc/36/97/67/402369767.db2.gz XYPMGXWERNUNBL-NSHDSACASA-N 1 2 309.414 2.205 10 70 DEIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000161355522 402384605 /nfs/dbraw/zinc/38/46/05/402384605.db2.gz LNYDUTZVUDXHNH-GFCCVEGCSA-N 1 2 304.398 2.184 10 70 DEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000161355522 402384607 /nfs/dbraw/zinc/38/46/07/402384607.db2.gz LNYDUTZVUDXHNH-GFCCVEGCSA-N 1 2 304.398 2.184 10 70 DEIELO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cncnc1 ZINC000160890768 539588701 /nfs/dbraw/zinc/58/87/01/539588701.db2.gz YCFVICXHZKQLOB-UHFFFAOYSA-N 1 2 314.389 2.336 10 70 DEIELO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cncnc1 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CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000160093736 402336346 /nfs/dbraw/zinc/33/63/46/402336346.db2.gz SRQRZBQTXBGAJU-TZMCWYRMSA-N 1 2 309.410 2.364 10 70 DEIELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000160093736 402336347 /nfs/dbraw/zinc/33/63/47/402336347.db2.gz SRQRZBQTXBGAJU-TZMCWYRMSA-N 1 2 309.410 2.364 10 70 DEIELO CC(C)(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160399869 519287370 /nfs/dbraw/zinc/28/73/70/519287370.db2.gz CDNWIASTPHYQBP-KRWDZBQOSA-N 1 2 316.445 2.235 10 70 DEIELO CC(C)(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160399869 519287379 /nfs/dbraw/zinc/28/73/79/519287379.db2.gz CDNWIASTPHYQBP-KRWDZBQOSA-N 1 2 316.445 2.235 10 70 DEIELO CCN(CCC(=O)OC)c1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000159587600 520993535 /nfs/dbraw/zinc/99/35/35/520993535.db2.gz JFHYZHLJSJKXHB-UHFFFAOYSA-N 1 2 300.362 2.236 10 70 DEIELO CCCc1noc(C[N@@H+]2CCC[C@@H](c3nncn3CC)C2)n1 ZINC000161277878 402379967 /nfs/dbraw/zinc/37/99/67/402379967.db2.gz 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CCCCc1nc(C[N@H+]2CCC[C@@H](c3nncn3CC)C2)no1 ZINC000161355930 402384852 /nfs/dbraw/zinc/38/48/52/402384852.db2.gz IIFTXWONRNKSIX-CYBMUJFWSA-N 1 2 318.425 2.403 10 70 DEIELO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000161284458 402380566 /nfs/dbraw/zinc/38/05/66/402380566.db2.gz YOUYIPXNKPINBN-ZDUSSCGKSA-N 1 2 318.425 2.259 10 70 DEIELO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000161284458 402380567 /nfs/dbraw/zinc/38/05/67/402380567.db2.gz YOUYIPXNKPINBN-ZDUSSCGKSA-N 1 2 318.425 2.259 10 70 DEIELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(C)n1C1CC1 ZINC000160394704 524092463 /nfs/dbraw/zinc/09/24/63/524092463.db2.gz WJMIWGMBRLGAQQ-MRXNPFEDSA-N 1 2 317.433 2.033 10 70 DEIELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(C)n1C1CC1 ZINC000160394704 524092473 /nfs/dbraw/zinc/09/24/73/524092473.db2.gz WJMIWGMBRLGAQQ-MRXNPFEDSA-N 1 2 317.433 2.033 10 70 DEIELO C[C@H](C(=O)NCC(F)(F)F)N1CCCc2cc([NH3+])ccc21 ZINC000159872047 197369882 /nfs/dbraw/zinc/36/98/82/197369882.db2.gz MTMKRXUEMZPTLV-SECBINFHSA-N 1 2 301.312 2.088 10 70 DEIELO c1csc([C@H]2CN(Cc3c[nH+]c4ccccn34)CCO2)n1 ZINC000159442570 197353785 /nfs/dbraw/zinc/35/37/85/197353785.db2.gz QZBHCQWGZBZXDC-CYBMUJFWSA-N 1 2 300.387 2.364 10 70 DEIELO Cc1nnc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)n1C1CC1 ZINC000160909435 402365367 /nfs/dbraw/zinc/36/53/67/402365367.db2.gz AWJWRSASMNXRGM-AWEZNQCLSA-N 1 2 312.421 2.250 10 70 DEIELO Cc1nnc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)n1C1CC1 ZINC000160909435 402365368 /nfs/dbraw/zinc/36/53/68/402365368.db2.gz AWJWRSASMNXRGM-AWEZNQCLSA-N 1 2 312.421 2.250 10 70 DEIELO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160755658 402359445 /nfs/dbraw/zinc/35/94/45/402359445.db2.gz CREKNKKUIZTYAA-CYBMUJFWSA-N 1 2 319.840 2.347 10 70 DEIELO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc2nc(C)cc(C)n12 ZINC000161260973 402379511 /nfs/dbraw/zinc/37/95/11/402379511.db2.gz VJABPMHRGRVPQP-OAHLLOKOSA-N 1 2 316.405 2.264 10 70 DEIELO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnc2nc(C)cc(C)n12 ZINC000161260973 402379513 /nfs/dbraw/zinc/37/95/13/402379513.db2.gz VJABPMHRGRVPQP-OAHLLOKOSA-N 1 2 316.405 2.264 10 70 DEIELO CC(C)(C)NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159456821 278358548 /nfs/dbraw/zinc/35/85/48/278358548.db2.gz ZVPUZPFWMDKMFV-GOSISDBHSA-N 1 2 302.418 2.075 10 70 DEIELO CC(C)(C)NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159456821 278358550 /nfs/dbraw/zinc/35/85/50/278358550.db2.gz ZVPUZPFWMDKMFV-GOSISDBHSA-N 1 2 302.418 2.075 10 70 DEIELO CC(C)(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160399736 519288670 /nfs/dbraw/zinc/28/86/70/519288670.db2.gz CDNWIASTPHYQBP-QGZVFWFLSA-N 1 2 316.445 2.235 10 70 DEIELO CC(C)(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160399736 519288676 /nfs/dbraw/zinc/28/86/76/519288676.db2.gz CDNWIASTPHYQBP-QGZVFWFLSA-N 1 2 316.445 2.235 10 70 DEIELO Cc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000159607614 539582987 /nfs/dbraw/zinc/58/29/87/539582987.db2.gz HCIHUIMFZSQTFP-KBPBESRZSA-N 1 2 311.389 2.303 10 70 DEIELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC2(CCC2)C1 ZINC000160176064 197391676 /nfs/dbraw/zinc/39/16/76/197391676.db2.gz CUKOBGJXCVWVEV-UHFFFAOYSA-N 1 2 311.389 2.353 10 70 DEIELO Cc1ccc(C[N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)o1 ZINC000160876217 402363953 /nfs/dbraw/zinc/36/39/53/402363953.db2.gz QFSKUOAGSVQFBM-UHFFFAOYSA-N 1 2 318.421 2.099 10 70 DEIELO Cc1ccc(C[N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)o1 ZINC000160876217 402363955 /nfs/dbraw/zinc/36/39/55/402363955.db2.gz QFSKUOAGSVQFBM-UHFFFAOYSA-N 1 2 318.421 2.099 10 70 DEIELO C[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCOCC1 ZINC000159692918 402328155 /nfs/dbraw/zinc/32/81/55/402328155.db2.gz VOUKNZLKNJTHQR-GJZGRUSLSA-N 1 2 319.449 2.264 10 70 DEIELO CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000160364825 518527303 /nfs/dbraw/zinc/52/73/03/518527303.db2.gz PTGIHJQACPJVNB-INIZCTEOSA-N 1 2 320.408 2.083 10 70 DEIELO CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1 ZINC000160364825 518527309 /nfs/dbraw/zinc/52/73/09/518527309.db2.gz PTGIHJQACPJVNB-INIZCTEOSA-N 1 2 320.408 2.083 10 70 DEIELO COC(=O)CCN(Cc1ccncc1)c1cc[nH+]c(C2CC2)n1 ZINC000161368089 523068872 /nfs/dbraw/zinc/06/88/72/523068872.db2.gz QKORCSWMNSATGW-UHFFFAOYSA-N 1 2 312.373 2.319 10 70 DEIELO