smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159747744 186139325 /nfs/dbraw/zinc/13/93/25/186139325.db2.gz SDAIATIYSJFODY-XEZPLFJOSA-N 1 1 324.852 3.068 20 70 DGIDMO CC[N@@H+](CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)C1CC1 ZINC000160028020 197380932 /nfs/dbraw/zinc/38/09/32/197380932.db2.gz QEARONMHYLPMQD-HXUWFJFHSA-N 1 1 323.440 3.080 20 70 DGIDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)NC1CCCCC1 ZINC000159449909 197354676 /nfs/dbraw/zinc/35/46/76/197354676.db2.gz ZNVBCCJQNHSZON-VXGBXAGGSA-N 1 1 310.388 3.453 20 70 DGIDMO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160652085 400735465 /nfs/dbraw/zinc/73/54/65/400735465.db2.gz JHHBJKAYMIBVIB-SFHVURJKSA-N 1 1 315.461 3.091 20 70 DGIDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N(CC1CC1)C1CCCCC1 ZINC000160753509 400736201 /nfs/dbraw/zinc/73/62/01/400736201.db2.gz SKUJFLKGPLQCOB-KRWDZBQOSA-N 1 1 319.493 3.225 20 70 DGIDMO C[C@H](c1ccccc1Cl)N1CCC([N@@H+](C)CCCO)CC1 ZINC000217213767 165376548 /nfs/dbraw/zinc/37/65/48/165376548.db2.gz DHXYVQCYYWVSJV-CQSZACIVSA-N 1 1 310.869 3.180 20 70 DGIDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cscn1)NC(=O)OC(C)(C)C ZINC000218251898 432657687 /nfs/dbraw/zinc/65/76/87/432657687.db2.gz CLGZRQIDOSVZRQ-VXGBXAGGSA-N 1 1 313.467 3.343 20 70 DGIDMO COC(=O)c1coc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000159793270 432695622 /nfs/dbraw/zinc/69/56/22/432695622.db2.gz OWFXIULXYXGXTO-INIZCTEOSA-N 1 1 300.358 3.107 20 70 DGIDMO COC(=O)c1coc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000159793270 432695626 /nfs/dbraw/zinc/69/56/26/432695626.db2.gz OWFXIULXYXGXTO-INIZCTEOSA-N 1 1 300.358 3.107 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160134953 432708856 /nfs/dbraw/zinc/70/88/56/432708856.db2.gz HNTHLMSNOFVVBJ-SJORKVTESA-N 1 1 314.477 3.312 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160134953 432708860 /nfs/dbraw/zinc/70/88/60/432708860.db2.gz HNTHLMSNOFVVBJ-SJORKVTESA-N 1 1 314.477 3.312 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)n1 ZINC000160274908 432713874 /nfs/dbraw/zinc/71/38/74/432713874.db2.gz VNAYAURIHHOVPG-SFHVURJKSA-N 1 1 309.413 3.474 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)n1 ZINC000160274908 432713878 /nfs/dbraw/zinc/71/38/78/432713878.db2.gz VNAYAURIHHOVPG-SFHVURJKSA-N 1 1 309.413 3.474 20 70 DGIDMO CCC[N@H+]1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)CC1 ZINC000160359438 432715749 /nfs/dbraw/zinc/71/57/49/432715749.db2.gz FXYQJXAKNZIJHI-UHFFFAOYSA-N 1 1 305.466 3.244 20 70 DGIDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC2(CCC2)C1 ZINC000160393719 432716962 /nfs/dbraw/zinc/71/69/62/432716962.db2.gz GDKPVIZDCKXOKD-MRXNPFEDSA-N 1 1 307.482 3.227 20 70 DGIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000159543775 432686863 /nfs/dbraw/zinc/68/68/63/432686863.db2.gz AQDGZCYXCRJLGY-GDBMZVCRSA-N 1 1 316.445 3.094 20 70 DGIDMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161032613 432756456 /nfs/dbraw/zinc/75/64/56/432756456.db2.gz NYTHKDYOCUFWSV-DOTOQJQBSA-N 1 1 303.450 3.083 20 70 DGIDMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161032613 432756459 /nfs/dbraw/zinc/75/64/59/432756459.db2.gz NYTHKDYOCUFWSV-DOTOQJQBSA-N 1 1 303.450 3.083 20 70 DGIDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1)C(C)C ZINC000161199697 432764894 /nfs/dbraw/zinc/76/48/94/432764894.db2.gz DZGDRSDUOIAZOX-SFHVURJKSA-N 1 1 320.477 3.054 20 70 DGIDMO Cc1ccccc1[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(C)C ZINC000161173146 432765216 /nfs/dbraw/zinc/76/52/16/432765216.db2.gz PPXQGUSPSNBHEL-CRAIPNDOSA-N 1 1 320.502 3.246 20 70 DGIDMO CC[C@@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000161264646 432769951 /nfs/dbraw/zinc/76/99/51/432769951.db2.gz GJCNVSYMMXTNIV-NXHRZFHOSA-N 1 1 318.436 3.262 20 70 DGIDMO COc1cccc2c(N(C)CC3CCOCC3)cc(C)[nH+]c12 ZINC000161308018 432771669 /nfs/dbraw/zinc/77/16/69/432771669.db2.gz BKAMOFOPDGNOIC-UHFFFAOYSA-N 1 1 300.402 3.415 20 70 DGIDMO C[C@H](C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C)COCc1ccccc1 ZINC000161298346 432771953 /nfs/dbraw/zinc/77/19/53/432771953.db2.gz VUFQKHVZLZYQLO-VXNCWWDNSA-N 1 1 304.478 3.158 20 70 DGIDMO Clc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161406109 432778697 /nfs/dbraw/zinc/77/86/97/432778697.db2.gz WMLMMKRTIMMZBH-AWEZNQCLSA-N 1 1 316.836 3.257 20 70 DGIDMO Cc1csc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000159390614 293032380 /nfs/dbraw/zinc/03/23/80/293032380.db2.gz KEMILKGVTBQQKK-UHFFFAOYSA-N 1 1 303.475 3.452 20 70 DGIDMO Cc1csc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)n1 ZINC000159390614 293032382 /nfs/dbraw/zinc/03/23/82/293032382.db2.gz KEMILKGVTBQQKK-UHFFFAOYSA-N 1 1 303.475 3.452 20 70 DGIDMO CC(C)[N@H+](CC(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160304159 519639273 /nfs/dbraw/zinc/63/92/73/519639273.db2.gz MAODLQANEROVOP-UHFFFAOYSA-N 1 1 304.425 3.247 20 70 DGIDMO CC(C)[N@@H+](CC(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160304159 519639275 /nfs/dbraw/zinc/63/92/75/519639275.db2.gz MAODLQANEROVOP-UHFFFAOYSA-N 1 1 304.425 3.247 20 70 DGIDMO CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160474938 520082084 /nfs/dbraw/zinc/08/20/84/520082084.db2.gz VIAWVQVKJJGWSV-QGZVFWFLSA-N 1 1 303.450 3.223 20 70 DGIDMO CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160474938 520082096 /nfs/dbraw/zinc/08/20/96/520082096.db2.gz VIAWVQVKJJGWSV-QGZVFWFLSA-N 1 1 303.450 3.223 20 70 DGIDMO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000160509345 529508297 /nfs/dbraw/zinc/50/82/97/529508297.db2.gz FRCRYANKNCNBBZ-CQSZACIVSA-N 1 1 319.232 3.025 20 70 DGIDMO CC[C@@](C)(O)C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000160509345 529508299 /nfs/dbraw/zinc/50/82/99/529508299.db2.gz FRCRYANKNCNBBZ-CQSZACIVSA-N 1 1 319.232 3.025 20 70 DGIDMO Cc1cncc(/C=C/C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000160220304 197394331 /nfs/dbraw/zinc/39/43/31/197394331.db2.gz WSMYPDWUOHXMAU-MDZDMXLPSA-N 1 1 323.440 3.042 20 70 DGIDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000160109540 197386175 /nfs/dbraw/zinc/38/61/75/197386175.db2.gz SEFKXQYJOVPGQE-NSHDSACASA-N 1 1 322.861 3.165 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160099652 197385041 /nfs/dbraw/zinc/38/50/41/197385041.db2.gz BXZQKJNCAVGMPW-GJZGRUSLSA-N 1 1 319.449 3.024 20 70 DGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160099652 197385044 /nfs/dbraw/zinc/38/50/44/197385044.db2.gz BXZQKJNCAVGMPW-GJZGRUSLSA-N 1 1 319.449 3.024 20 70 DGIDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NCc1ccccc1 ZINC000159494633 197357490 /nfs/dbraw/zinc/35/74/90/197357490.db2.gz HCXRXWZKSUXFKT-STQMWFEESA-N 1 1 318.367 3.320 20 70 DGIDMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000216829594 285121649 /nfs/dbraw/zinc/12/16/49/285121649.db2.gz GKPNFUICQQYFJC-QLFBSQMISA-N 1 1 308.491 3.463 20 70 DGIDMO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(F)cc1F ZINC000160748168 292820947 /nfs/dbraw/zinc/82/09/47/292820947.db2.gz UGACOCCKIASDET-QGZVFWFLSA-N 1 1 318.367 3.322 20 70 DGIDMO CC[C@H](C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC000160865935 292823185 /nfs/dbraw/zinc/82/31/85/292823185.db2.gz LUAHDKDDHQHMMY-CQSZACIVSA-N 1 1 322.405 3.279 20 70 DGIDMO CCn1nccc1C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000159890159 228243919 /nfs/dbraw/zinc/24/39/19/228243919.db2.gz GWPIAQWNVPTYJZ-UHFFFAOYSA-N 1 1 304.482 3.181 20 70 DGIDMO C[N@@H+](CCOc1cccc(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000218763190 263836202 /nfs/dbraw/zinc/83/62/02/263836202.db2.gz QOYVQXFVIKYLBG-QGZVFWFLSA-N 1 1 319.832 3.254 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(CC(C)C)C2CC2)n1 ZINC000159836973 432697109 /nfs/dbraw/zinc/69/71/09/432697109.db2.gz ODJLVAQCDFHQJX-SFHVURJKSA-N 1 1 315.461 3.174 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CC(C)C)C2CC2)n1 ZINC000159836973 432697113 /nfs/dbraw/zinc/69/71/13/432697113.db2.gz ODJLVAQCDFHQJX-SFHVURJKSA-N 1 1 315.461 3.174 20 70 DGIDMO COc1ccccc1-c1nnc(C[N@@H+](C)C(C2CC2)C2CC2)o1 ZINC000159868766 432699549 /nfs/dbraw/zinc/69/95/49/432699549.db2.gz UALKZSKZCQHSLA-UHFFFAOYSA-N 1 1 313.401 3.366 20 70 DGIDMO C[C@H]1C[C@H](NC(=O)N(C)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000159914794 432700641 /nfs/dbraw/zinc/70/06/41/432700641.db2.gz BKKGCLQSNDLCSW-YJBOKZPZSA-N 1 1 315.461 3.091 20 70 DGIDMO CSCCCCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000159939602 432701020 /nfs/dbraw/zinc/70/10/20/432701020.db2.gz KBPJCZGOWKTJEF-OAHLLOKOSA-N 1 1 300.512 3.148 20 70 DGIDMO C[C@@H]1C[C@H](NC(=O)N(C)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000159914659 432701111 /nfs/dbraw/zinc/70/11/11/432701111.db2.gz BKKGCLQSNDLCSW-QAPCUYQASA-N 1 1 315.461 3.091 20 70 DGIDMO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(F)ccc1F ZINC000160074311 432707316 /nfs/dbraw/zinc/70/73/16/432707316.db2.gz OSRMLVORSBGITD-QGZVFWFLSA-N 1 1 318.367 3.322 20 70 DGIDMO CCCC(=O)N[C@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000160188034 432710696 /nfs/dbraw/zinc/71/06/96/432710696.db2.gz OZTFXORXKWLSRN-KRWDZBQOSA-N 1 1 318.461 3.009 20 70 DGIDMO C[N@@H+](CC(=O)N1CCC[C@@H](C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000160283676 432713086 /nfs/dbraw/zinc/71/30/86/432713086.db2.gz NESQRDDMRSTRPB-HUUCEWRRSA-N 1 1 312.523 3.099 20 70 DGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCC1CCCCC1 ZINC000160316304 432714329 /nfs/dbraw/zinc/71/43/29/432714329.db2.gz XDKWDQNIHAKOHI-UHFFFAOYSA-N 1 1 324.509 3.164 20 70 DGIDMO Cc1ccc(COc2ccc(C[N@H+]3CCC[C@@H]3C(N)=O)cc2)cc1 ZINC000160360666 432715931 /nfs/dbraw/zinc/71/59/31/432715931.db2.gz RRGNFIHWFGLMFR-LJQANCHMSA-N 1 1 324.424 3.024 20 70 DGIDMO CCN(CC1CC1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160404491 432719889 /nfs/dbraw/zinc/71/98/89/432719889.db2.gz XXAUFIUMNAUOLQ-YJBOKZPZSA-N 1 1 315.461 3.091 20 70 DGIDMO Cc1ccc(C[NH2+][C@@H](C)c2ccccn2)c(O[C@H]2CCOC2)c1 ZINC000159369075 432680980 /nfs/dbraw/zinc/68/09/80/432680980.db2.gz KMPIPTUEQSNGFZ-RDJZCZTQSA-N 1 1 312.413 3.409 20 70 DGIDMO CN(C)c1ccccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159485805 432684770 /nfs/dbraw/zinc/68/47/70/432684770.db2.gz CXWDWHYQFVFCNU-OAQYLSRUSA-N 1 1 322.452 3.427 20 70 DGIDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)cc2)n1 ZINC000159573886 432688528 /nfs/dbraw/zinc/68/85/28/432688528.db2.gz BXMQRSQETCBUMK-HKUYNNGSSA-N 1 1 313.445 3.082 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)CCCCc1ccccc1 ZINC000160892527 432747617 /nfs/dbraw/zinc/74/76/17/432747617.db2.gz GNLPYQPFUJHBIK-UHFFFAOYSA-N 1 1 311.491 3.154 20 70 DGIDMO O[C@@H](C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1Cl ZINC000161031947 432755941 /nfs/dbraw/zinc/75/59/41/432755941.db2.gz UHFWAHRSMDZRDT-XOKHGSTOSA-N 1 1 309.837 3.000 20 70 DGIDMO CCC[N@H+](Cc1c(C)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000161096549 432758927 /nfs/dbraw/zinc/75/89/27/432758927.db2.gz LHBCJQXVVUPYLR-CQSZACIVSA-N 1 1 321.442 3.140 20 70 DGIDMO CCC[N@@H+](Cc1c(C)oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000161096549 432758933 /nfs/dbraw/zinc/75/89/33/432758933.db2.gz LHBCJQXVVUPYLR-CQSZACIVSA-N 1 1 321.442 3.140 20 70 DGIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OC)cc1OC ZINC000161202259 432767293 /nfs/dbraw/zinc/76/72/93/432767293.db2.gz BUJJGQYTBDASHA-LSDHHAIUSA-N 1 1 306.450 3.229 20 70 DGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OC)cc1OC ZINC000161202259 432767295 /nfs/dbraw/zinc/76/72/95/432767295.db2.gz BUJJGQYTBDASHA-LSDHHAIUSA-N 1 1 306.450 3.229 20 70 DGIDMO CC1(O)CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000161231586 432767753 /nfs/dbraw/zinc/76/77/53/432767753.db2.gz HDOMZWICHPLAQD-UHFFFAOYSA-N 1 1 306.793 3.342 20 70 DGIDMO C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)COCc1ccccc1 ZINC000161298262 432771033 /nfs/dbraw/zinc/77/10/33/432771033.db2.gz VUFQKHVZLZYQLO-MTNOOBJLSA-N 1 1 304.478 3.158 20 70 DGIDMO CCc1ccc(CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000160631056 432732616 /nfs/dbraw/zinc/73/26/16/432732616.db2.gz PBLAAVDOHADOMF-KRWDZBQOSA-N 1 1 316.489 3.420 20 70 DGIDMO CCCC[N@@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160752801 432739312 /nfs/dbraw/zinc/73/93/12/432739312.db2.gz WSHIWGZPXPERSN-SFHVURJKSA-N 1 1 323.502 3.401 20 70 DGIDMO CCc1cccc2c(C3CC[NH+](Cc4nncn4C)CC3)c[nH]c21 ZINC000160829863 292822293 /nfs/dbraw/zinc/82/22/93/292822293.db2.gz VXEYORRWNQAOIR-UHFFFAOYSA-N 1 1 323.444 3.238 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)N(C)C)c2)n1 ZINC000159736976 302026746 /nfs/dbraw/zinc/02/67/46/302026746.db2.gz ZSOKHFJLWJLPAN-IBGZPJMESA-N 1 1 323.440 3.429 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCCC[C@@H]3C)c2c1 ZINC000160470006 534248451 /nfs/dbraw/zinc/24/84/51/534248451.db2.gz LIZUFMQYXFTTBU-LBPRGKRZSA-N 1 1 314.385 3.012 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCCC[C@@H]3C)c2c1 ZINC000160470006 534248455 /nfs/dbraw/zinc/24/84/55/534248455.db2.gz LIZUFMQYXFTTBU-LBPRGKRZSA-N 1 1 314.385 3.012 20 70 DGIDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000160332503 526876469 /nfs/dbraw/zinc/87/64/69/526876469.db2.gz HIKCXSCZUIUEMJ-LLVKDONJSA-N 1 1 315.244 3.471 20 70 DGIDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000160332503 526876473 /nfs/dbraw/zinc/87/64/73/526876473.db2.gz HIKCXSCZUIUEMJ-LLVKDONJSA-N 1 1 315.244 3.471 20 70 DGIDMO Cc1nc2ccccn2c1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000160379479 527176697 /nfs/dbraw/zinc/17/66/97/527176697.db2.gz UYLHPMZUPJLJLY-GOSISDBHSA-N 1 1 321.424 3.125 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000159821326 529030614 /nfs/dbraw/zinc/03/06/14/529030614.db2.gz WBSCEYBCODJBFI-GOSISDBHSA-N 1 1 315.461 3.265 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000159853864 529031775 /nfs/dbraw/zinc/03/17/75/529031775.db2.gz LXFXPEAEERDOHF-SFHVURJKSA-N 1 1 317.477 3.429 20 70 DGIDMO CCCN1CCC([NH2+]C[C@@H](C)COCc2ccccc2)CC1 ZINC000161293556 546067295 /nfs/dbraw/zinc/06/72/95/546067295.db2.gz IKVVJVLFEBIQOY-QGZVFWFLSA-N 1 1 304.478 3.303 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000159552553 186126756 /nfs/dbraw/zinc/12/67/56/186126756.db2.gz 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Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000161429745 546069512 /nfs/dbraw/zinc/06/95/12/546069512.db2.gz PAHJSGUVRQJMIM-INIZCTEOSA-N 1 1 324.428 3.128 20 70 DGIDMO CC(C)[N@@H+](CCCCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000161466978 546069675 /nfs/dbraw/zinc/06/96/75/546069675.db2.gz LPZYXEVVJZNWEQ-UHFFFAOYSA-N 1 1 317.882 3.375 20 70 DGIDMO CC[C@@H](C[NH2+][C@H]1CCN(CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312249 197399947 /nfs/dbraw/zinc/39/99/47/197399947.db2.gz SSEBCCJGELLYDY-ZOBUZTSGSA-N 1 1 308.441 3.303 20 70 DGIDMO Brc1cccc(C[N@@H+](CCn2ccnc2)C2CC2)c1 ZINC000159778377 197363158 /nfs/dbraw/zinc/36/31/58/197363158.db2.gz KCDZBZICQWKTDS-UHFFFAOYSA-N 1 1 320.234 3.310 20 70 DGIDMO Cc1cc(C)cc(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000159766305 197362963 /nfs/dbraw/zinc/36/29/63/197362963.db2.gz TUIURURAJQJWPU-OALUTQOASA-N 1 1 314.473 3.179 20 70 DGIDMO CC[N@@H+](Cc1cnc2ccccn12)[C@H](COC)Cc1ccccc1 ZINC000160926918 285125709 /nfs/dbraw/zinc/12/57/09/285125709.db2.gz 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HVPPPHBVXSVYIS-CQSZACIVSA-N 1 1 316.836 3.257 20 70 DGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000160537445 432727140 /nfs/dbraw/zinc/72/71/40/432727140.db2.gz JHCUPODBUMZGHB-KGLIPLIRSA-N 1 1 322.449 3.399 20 70 DGIDMO CC(C)[N@@H+](C)CC(=O)NCCCOc1ccc2ccccc2c1 ZINC000160736279 432738524 /nfs/dbraw/zinc/73/85/24/432738524.db2.gz GFLXZRFFXSLBRA-UHFFFAOYSA-N 1 1 314.429 3.065 20 70 DGIDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768887 432741239 /nfs/dbraw/zinc/74/12/39/432741239.db2.gz KKVLVVLIFJCUDU-HUUCEWRRSA-N 1 1 312.523 3.241 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000160800032 432742289 /nfs/dbraw/zinc/74/22/89/432742289.db2.gz SWKFMPONZGYMOP-SOLBZPMBSA-N 1 1 319.493 3.467 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000160800032 432742294 /nfs/dbraw/zinc/74/22/94/432742294.db2.gz SWKFMPONZGYMOP-SOLBZPMBSA-N 1 1 319.493 3.467 20 70 DGIDMO 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/nfs/dbraw/zinc/06/59/16/546065916.db2.gz OAUXDVMSNFVOCJ-UHFFFAOYSA-N 1 1 321.442 3.107 20 70 DGIDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)nc2)c1 ZINC000161367435 546068531 /nfs/dbraw/zinc/06/85/31/546068531.db2.gz DADJGBLWZFFGCE-UHFFFAOYSA-N 1 1 312.417 3.163 20 70 DGIDMO CC[N@@H+](CCCCS(C)(=O)=O)[C@H](C)c1ccc(F)cc1 ZINC000161486023 546069299 /nfs/dbraw/zinc/06/92/99/546069299.db2.gz KOQAYJYROUKCOE-CYBMUJFWSA-N 1 1 301.427 3.033 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cnn(CCC(C)C)c1C ZINC000161356156 529689284 /nfs/dbraw/zinc/68/92/84/529689284.db2.gz AHVYFYFYWRUGNI-AWEZNQCLSA-N 1 1 323.485 3.089 20 70 DGIDMO C[C@@H](O)C[N@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000159553125 186127210 /nfs/dbraw/zinc/12/72/10/186127210.db2.gz WXGJJQFGFBJCPK-PBHICJAKSA-N 1 1 323.396 3.139 20 70 DGIDMO C[C@@H](O)C[N@@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000159553125 186127211 /nfs/dbraw/zinc/12/72/11/186127211.db2.gz WXGJJQFGFBJCPK-PBHICJAKSA-N 1 1 323.396 3.139 20 70 DGIDMO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000159622391 299267917 /nfs/dbraw/zinc/26/79/17/299267917.db2.gz GPDRQYRUZUGWSX-WHEQGISXSA-N 1 1 322.518 3.384 20 70 DGIDMO CCc1cc(NC[C@](C)(O)c2ccccc2Cl)nc(C)[nH+]1 ZINC000160177661 197391851 /nfs/dbraw/zinc/39/18/51/197391851.db2.gz AQKHIUXZGYOQIU-INIZCTEOSA-N 1 1 305.809 3.320 20 70 DGIDMO CC(C)(C)c1nsc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000160044084 197381956 /nfs/dbraw/zinc/38/19/56/197381956.db2.gz YZDJXYFLLJUCAH-OCCSQVGLSA-N 1 1 320.506 3.289 20 70 DGIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000159991839 197378828 /nfs/dbraw/zinc/37/88/28/197378828.db2.gz PDHAJKYGNXOFAH-UHFFFAOYSA-N 1 1 321.812 3.102 20 70 DGIDMO C[N@H+]1CCC[C@@H](CNC(=O)C2(c3cccs3)CCCCC2)C1 ZINC000159511408 400730283 /nfs/dbraw/zinc/73/02/83/400730283.db2.gz NUHWIJIJJSABRZ-HNNXBMFYSA-N 1 1 320.502 3.408 20 70 DGIDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCN1CCOCC1 ZINC000217137988 165375549 /nfs/dbraw/zinc/37/55/49/165375549.db2.gz AVUBHXRTYHYJMD-LBPRGKRZSA-N 1 1 317.260 3.318 20 70 DGIDMO c1cc2c(c([C@H]3CCC[N@@H+]3CCOCC3CC3)c1)OCCO2 ZINC000160398057 228246214 /nfs/dbraw/zinc/24/62/14/228246214.db2.gz ZCRMUEVSGYVSKG-MRXNPFEDSA-N 1 1 303.402 3.021 20 70 DGIDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)Nc1nccs1 ZINC000159480643 277631453 /nfs/dbraw/zinc/63/14/53/277631453.db2.gz LYXOZGDINRPBEX-RKDXNWHRSA-N 1 1 311.357 3.099 20 70 DGIDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cscn1 ZINC000218245913 432658863 /nfs/dbraw/zinc/65/88/63/432658863.db2.gz JGZUCRJSPCWZTF-RYUDHWBXSA-N 1 1 311.451 3.193 20 70 DGIDMO C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000218763138 432660558 /nfs/dbraw/zinc/66/05/58/432660558.db2.gz QOYVQXFVIKYLBG-KRWDZBQOSA-N 1 1 319.832 3.254 20 70 DGIDMO C[C@H]1SCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000159751491 432694871 /nfs/dbraw/zinc/69/48/71/432694871.db2.gz UIPQTHQTEFNOME-ZIAGYGMSSA-N 1 1 312.523 3.097 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000159815042 432697662 /nfs/dbraw/zinc/69/76/62/432697662.db2.gz SVJCESRWAWXFEV-LESCRADOSA-N 1 1 315.461 3.222 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000159815042 432697664 /nfs/dbraw/zinc/69/76/64/432697664.db2.gz SVJCESRWAWXFEV-LESCRADOSA-N 1 1 315.461 3.222 20 70 DGIDMO Clc1ccc2cccnc2c1CSCC[NH+]1CCOCC1 ZINC000159860854 432699508 /nfs/dbraw/zinc/69/95/08/432699508.db2.gz MRGSQXHHKRXVKA-UHFFFAOYSA-N 1 1 322.861 3.454 20 70 DGIDMO CC[C@H](C)C[N@@H+](CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000160537247 432726112 /nfs/dbraw/zinc/72/61/12/432726112.db2.gz NBEFOTQUAJYQLZ-NSHDSACASA-N 1 1 307.825 3.445 20 70 DGIDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159997241 432703331 /nfs/dbraw/zinc/70/33/31/432703331.db2.gz NPYNJFMOPFVNRZ-GFCCVEGCSA-N 1 1 319.478 3.028 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000160068603 432704454 /nfs/dbraw/zinc/70/44/54/432704454.db2.gz WQWHFUIPJFVGNE-CABCVRRESA-N 1 1 308.466 3.393 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000160068603 432704458 /nfs/dbraw/zinc/70/44/58/432704458.db2.gz WQWHFUIPJFVGNE-CABCVRRESA-N 1 1 308.466 3.393 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccccc32)n1 ZINC000160204202 432710412 /nfs/dbraw/zinc/71/04/12/432710412.db2.gz KMVZIOVQLDLNHR-IBGZPJMESA-N 1 1 321.424 3.116 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccccc32)n1 ZINC000160204202 432710415 /nfs/dbraw/zinc/71/04/15/432710415.db2.gz KMVZIOVQLDLNHR-IBGZPJMESA-N 1 1 321.424 3.116 20 70 DGIDMO CCC(C)(C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160291325 432713167 /nfs/dbraw/zinc/71/31/67/432713167.db2.gz FPUYKMVCEUYKQI-GOEBONIOSA-N 1 1 303.450 3.137 20 70 DGIDMO C[N@@H+](CCCNC(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000160282932 432713309 /nfs/dbraw/zinc/71/33/09/432713309.db2.gz PATQRTAAPBBPRD-UHFFFAOYSA-N 1 1 307.482 3.227 20 70 DGIDMO C[N@H+](CC(=O)N[C@H]1CCCc2sccc21)Cc1ccccc1 ZINC000160377471 432717493 /nfs/dbraw/zinc/71/74/93/432717493.db2.gz AKVQSSOXIGGNDP-INIZCTEOSA-N 1 1 314.454 3.374 20 70 DGIDMO C[N@@H+](CC(=O)N[C@H]1CCCc2sccc21)Cc1ccccc1 ZINC000160377471 432717497 /nfs/dbraw/zinc/71/74/97/432717497.db2.gz AKVQSSOXIGGNDP-INIZCTEOSA-N 1 1 314.454 3.374 20 70 DGIDMO COCCOc1ccc(C[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000160424188 432719351 /nfs/dbraw/zinc/71/93/51/432719351.db2.gz NZYKKMLVLACEMQ-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO Cc1nc(CN2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000160461380 432722146 /nfs/dbraw/zinc/72/21/46/432722146.db2.gz IXWXTTUVGLDPTN-UHFFFAOYSA-N 1 1 305.809 3.051 20 70 DGIDMO COCOc1ccc(OC)cc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160467794 432723197 /nfs/dbraw/zinc/72/31/97/432723197.db2.gz IWXNQYAYVTVAEW-UHFFFAOYSA-N 1 1 319.376 3.449 20 70 DGIDMO COCOc1ccc(OC)cc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160467794 432723201 /nfs/dbraw/zinc/72/32/01/432723201.db2.gz IWXNQYAYVTVAEW-UHFFFAOYSA-N 1 1 319.376 3.449 20 70 DGIDMO CSCCCCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000159442551 432683220 /nfs/dbraw/zinc/68/32/20/432683220.db2.gz ODIMFVFCYLDRQO-UHFFFAOYSA-N 1 1 300.512 3.291 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000160980362 432752368 /nfs/dbraw/zinc/75/23/68/432752368.db2.gz RVHLEOCWPSIQKV-GOSISDBHSA-N 1 1 321.486 3.352 20 70 DGIDMO COCCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161044355 432756377 /nfs/dbraw/zinc/75/63/77/432756377.db2.gz XDOYBIPKISBJDQ-SZMVWBNQSA-N 1 1 320.477 3.235 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@H](CNc2nccc(C(F)(F)F)n2)C1 ZINC000161308619 432770913 /nfs/dbraw/zinc/77/09/13/432770913.db2.gz DOOJHTUBGMIMLW-GFCCVEGCSA-N 1 1 316.371 3.275 20 70 DGIDMO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000161391815 432776125 /nfs/dbraw/zinc/77/61/25/432776125.db2.gz SGULIFACVSSKRX-HOCLYGCPSA-N 1 1 308.853 3.265 20 70 DGIDMO C[C@H](NC1CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000161431700 432777891 /nfs/dbraw/zinc/77/78/91/432777891.db2.gz XQVBRWDTKJGZHH-NSHDSACASA-N 1 1 302.340 3.330 20 70 DGIDMO Cc1nccn1CCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000161444765 432780108 /nfs/dbraw/zinc/78/01/08/432780108.db2.gz KPDMVCJOWXOROY-UHFFFAOYSA-N 1 1 312.461 3.184 20 70 DGIDMO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000160638295 432731796 /nfs/dbraw/zinc/73/17/96/432731796.db2.gz OOTNDTLAEVZVFR-IXDOHACOSA-N 1 1 304.409 3.014 20 70 DGIDMO CC[N@@H+](Cc1cc(Br)ccc1F)CC(OC)OC ZINC000160724248 432737659 /nfs/dbraw/zinc/73/76/59/432737659.db2.gz IIOZRDPRFIBDNZ-UHFFFAOYSA-N 1 1 320.202 3.029 20 70 DGIDMO CC[N@H+](Cc1cc(Br)ccc1F)CC(OC)OC ZINC000160724248 432737661 /nfs/dbraw/zinc/73/76/61/432737661.db2.gz IIOZRDPRFIBDNZ-UHFFFAOYSA-N 1 1 320.202 3.029 20 70 DGIDMO C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1 ZINC000160800508 432742257 /nfs/dbraw/zinc/74/22/57/432742257.db2.gz SSRKQMCBMDQXGP-UHFFFAOYSA-N 1 1 310.191 3.166 20 70 DGIDMO Cn1c(C[N@H+](C)CCc2ccccc2)nnc1-c1ccccc1 ZINC000160803923 432743080 /nfs/dbraw/zinc/74/30/80/432743080.db2.gz IFAXYBPWIXXZSF-UHFFFAOYSA-N 1 1 306.413 3.157 20 70 DGIDMO Cn1c(C[N@@H+](C)CCc2ccccc2)nnc1-c1ccccc1 ZINC000160803923 432743083 /nfs/dbraw/zinc/74/30/83/432743083.db2.gz IFAXYBPWIXXZSF-UHFFFAOYSA-N 1 1 306.413 3.157 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000160814702 432744661 /nfs/dbraw/zinc/74/46/61/432744661.db2.gz SQBZONUECYUSMH-BQFCYCMXSA-N 1 1 319.493 3.325 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)ccn1 ZINC000160814702 432744662 /nfs/dbraw/zinc/74/46/62/432744662.db2.gz SQBZONUECYUSMH-BQFCYCMXSA-N 1 1 319.493 3.325 20 70 DGIDMO CC(C)c1ncc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC000159565418 292795717 /nfs/dbraw/zinc/79/57/17/292795717.db2.gz UTYJDTZGUADBEI-UHFFFAOYSA-N 1 1 323.506 3.461 20 70 DGIDMO C[C@@H]1CCC[C@H](CC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159607546 292796373 /nfs/dbraw/zinc/79/63/73/292796373.db2.gz SHWKXONBNXQXMY-SJORKVTESA-N 1 1 324.509 3.020 20 70 DGIDMO FC(F)(F)c1ccccc1CSCC[NH+]1CCOCC1 ZINC000159799324 292801003 /nfs/dbraw/zinc/80/10/03/292801003.db2.gz QONNZJATXDPZGR-UHFFFAOYSA-N 1 1 305.365 3.271 20 70 DGIDMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccoc1 ZINC000160699101 292820514 /nfs/dbraw/zinc/82/05/14/292820514.db2.gz QEDGVEKHXAQWPG-FZMZJTMJSA-N 1 1 304.777 3.389 20 70 DGIDMO Cc1ccsc1CCCC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000159462642 534462216 /nfs/dbraw/zinc/46/22/16/534462216.db2.gz QONYHGSBYZVEFC-CQSZACIVSA-N 1 1 320.458 3.391 20 70 DGIDMO C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160390906 524315352 /nfs/dbraw/zinc/31/53/52/524315352.db2.gz QFFMYOGZDVKNPQ-RVKKMQEKSA-N 1 1 315.461 3.089 20 70 DGIDMO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160390655 524318451 /nfs/dbraw/zinc/31/84/51/524318451.db2.gz QFFMYOGZDVKNPQ-VKJFTORMSA-N 1 1 315.461 3.089 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cnn(CCC(C)C)c1C ZINC000161356015 529342922 /nfs/dbraw/zinc/34/29/22/529342922.db2.gz AHVYFYFYWRUGNI-CQSZACIVSA-N 1 1 323.485 3.089 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160091149 529343554 /nfs/dbraw/zinc/34/35/54/529343554.db2.gz OSBBVQYIJRQSFT-CABCVRRESA-N 1 1 306.450 3.229 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160091149 529343557 /nfs/dbraw/zinc/34/35/57/529343557.db2.gz OSBBVQYIJRQSFT-CABCVRRESA-N 1 1 306.450 3.229 20 70 DGIDMO CC[N@@H+](CCCCS(C)(=O)=O)[C@@H](C)c1ccc(F)cc1 ZINC000161485898 546069378 /nfs/dbraw/zinc/06/93/78/546069378.db2.gz KOQAYJYROUKCOE-ZDUSSCGKSA-N 1 1 301.427 3.033 20 70 DGIDMO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159584374 186128826 /nfs/dbraw/zinc/12/88/26/186128826.db2.gz WYXWBGIGDUWXMT-HIFRSBDPSA-N 1 1 317.351 3.221 20 70 DGIDMO NC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000159754412 186139571 /nfs/dbraw/zinc/13/95/71/186139571.db2.gz CADXWZHOBAPVMC-UHFFFAOYSA-N 1 1 301.217 3.081 20 70 DGIDMO CC(C)c1noc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000160234662 197394680 /nfs/dbraw/zinc/39/46/80/197394680.db2.gz LQSCVEYHFCUGND-HIFRSBDPSA-N 1 1 300.406 3.125 20 70 DGIDMO CC(C)c1noc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000160234662 197394683 /nfs/dbraw/zinc/39/46/83/197394683.db2.gz LQSCVEYHFCUGND-HIFRSBDPSA-N 1 1 300.406 3.125 20 70 DGIDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nnc(C2CC2)s1 ZINC000160225899 197393882 /nfs/dbraw/zinc/39/38/82/197393882.db2.gz HNBVINNDHMJYQY-WFASDCNBSA-N 1 1 314.458 3.348 20 70 DGIDMO CCCN1CCC([N@@H+](C)CCC(=O)c2ccc(C)cc2)CC1 ZINC000159994501 197378712 /nfs/dbraw/zinc/37/87/12/197378712.db2.gz YQKLMDAFBJKZGN-UHFFFAOYSA-N 1 1 302.462 3.374 20 70 DGIDMO CCC[NH+]1CCC(N(C)CCC(=O)c2ccc(C)cc2)CC1 ZINC000159994501 197378714 /nfs/dbraw/zinc/37/87/14/197378714.db2.gz YQKLMDAFBJKZGN-UHFFFAOYSA-N 1 1 302.462 3.374 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000159814655 197366439 /nfs/dbraw/zinc/36/64/39/197366439.db2.gz KAXDGDZARCQGNO-INIZCTEOSA-N 1 1 317.477 3.090 20 70 DGIDMO CC[C@H]([NH2+]CC(=O)Nc1cccnc1)c1ccc(F)cc1F ZINC000160862122 400736422 /nfs/dbraw/zinc/73/64/22/400736422.db2.gz KCTPBASTLLZEOF-HNNXBMFYSA-N 1 1 305.328 3.039 20 70 DGIDMO C[C@@H](CCO)[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000161396190 274210322 /nfs/dbraw/zinc/21/03/22/274210322.db2.gz ZDXQVPZEJXJLFZ-HNNXBMFYSA-N 1 1 309.413 3.336 20 70 DGIDMO C[C@@H](CCO)[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000161396190 274210323 /nfs/dbraw/zinc/21/03/23/274210323.db2.gz ZDXQVPZEJXJLFZ-HNNXBMFYSA-N 1 1 309.413 3.336 20 70 DGIDMO COC(=O)C1([NH2+]CCCOc2ccccc2C)CCCCC1 ZINC000217096641 432654054 /nfs/dbraw/zinc/65/40/54/432654054.db2.gz WWUZVZCAFOIASO-UHFFFAOYSA-N 1 1 305.418 3.229 20 70 DGIDMO CCCCO[C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000217134757 432654885 /nfs/dbraw/zinc/65/48/85/432654885.db2.gz RIUZOUAMVVCFKX-HZPDHXFCSA-N 1 1 312.498 3.208 20 70 DGIDMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160161692 432708607 /nfs/dbraw/zinc/70/86/07/432708607.db2.gz JQCLHKKNJZHXBL-SFHVURJKSA-N 1 1 309.413 3.087 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC000160207692 432710927 /nfs/dbraw/zinc/71/09/27/432710927.db2.gz CEVWYFMBRLWGRC-JZXOWHBKSA-N 1 1 315.461 3.316 20 70 DGIDMO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cn21 ZINC000160341956 432715946 /nfs/dbraw/zinc/71/59/46/432715946.db2.gz CKCWZCBQOUWVOV-CYBMUJFWSA-N 1 1 309.369 3.222 20 70 DGIDMO COc1ccccc1C[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000160423195 432719474 /nfs/dbraw/zinc/71/94/74/432719474.db2.gz DAJVLBVQOAODCH-UHFFFAOYSA-N 1 1 308.385 3.112 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC000160406928 432719953 /nfs/dbraw/zinc/71/99/53/432719953.db2.gz WASSXNHYGIKCPH-LSDHHAIUSA-N 1 1 306.425 3.166 20 70 DGIDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CCC(F)(F)CC1 ZINC000159447282 432683734 /nfs/dbraw/zinc/68/37/34/432683734.db2.gz ICJMQVILLKLVRV-HZSPNIEDSA-N 1 1 316.436 3.295 20 70 DGIDMO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)C[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000159518400 432687000 /nfs/dbraw/zinc/68/70/00/432687000.db2.gz XFNAXDILCJHKTD-BPUTZDHNSA-N 1 1 315.417 3.199 20 70 DGIDMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159588255 432688343 /nfs/dbraw/zinc/68/83/43/432688343.db2.gz JIKUDLLIMHLHMF-WMZOPIPTSA-N 1 1 314.429 3.482 20 70 DGIDMO CCc1cc(=O)[nH]c(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000160980633 432753098 /nfs/dbraw/zinc/75/30/98/432753098.db2.gz BEOMFOFFPTYSHX-QGZVFWFLSA-N 1 1 309.413 3.397 20 70 DGIDMO CC[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161046012 432756085 /nfs/dbraw/zinc/75/60/85/432756085.db2.gz GMKVPLLSKWQZST-YESZJQIVSA-N 1 1 318.461 3.371 20 70 DGIDMO CC(C)c1ncc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000161079505 432757372 /nfs/dbraw/zinc/75/73/72/432757372.db2.gz CASKFDGBDQMMLM-ZDUSSCGKSA-N 1 1 309.479 3.117 20 70 DGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061234 432758493 /nfs/dbraw/zinc/75/84/93/432758493.db2.gz HUCZCFKYDKOYAI-UAGQMJEPSA-N 1 1 318.461 3.371 20 70 DGIDMO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)c(C)n1 ZINC000161104145 432758985 /nfs/dbraw/zinc/75/89/85/432758985.db2.gz JDOSMQWIVXGVOH-JTQLQIEISA-N 1 1 318.808 3.036 20 70 DGIDMO Cc1cc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nc(C)[nH+]1 ZINC000161147089 432763404 /nfs/dbraw/zinc/76/34/04/432763404.db2.gz XOOCYEMTJRIBEC-SJORKVTESA-N 1 1 315.392 3.325 20 70 DGIDMO COc1ccc(C[N@@H+](C)CCCCn2ccnc2C)c(OC)c1 ZINC000161288340 432771817 /nfs/dbraw/zinc/77/18/17/432771817.db2.gz ODTNFJPPSHUTEE-UHFFFAOYSA-N 1 1 317.433 3.121 20 70 DGIDMO CCNC(=O)C(C)(C)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000161337912 432773709 /nfs/dbraw/zinc/77/37/09/432773709.db2.gz XHNJQCHGUGEGRJ-UHFFFAOYSA-N 1 1 305.809 3.462 20 70 DGIDMO Clc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161399446 432775897 /nfs/dbraw/zinc/77/58/97/432775897.db2.gz JZVJQSHDJAIPNZ-CQSZACIVSA-N 1 1 316.836 3.257 20 70 DGIDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c[nH]1 ZINC000160627485 432731706 /nfs/dbraw/zinc/73/17/06/432731706.db2.gz KRDYTJVEJXOODF-UHFFFAOYSA-N 1 1 324.327 3.035 20 70 DGIDMO CC[C@@H](C)c1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)on1 ZINC000160636910 432732059 /nfs/dbraw/zinc/73/20/59/432732059.db2.gz HDFMFHHCORYMDM-LSDHHAIUSA-N 1 1 321.465 3.430 20 70 DGIDMO COC(C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)OC ZINC000160632480 432732790 /nfs/dbraw/zinc/73/27/90/432732790.db2.gz QIJUJLBFOYDXGX-CYBMUJFWSA-N 1 1 314.223 3.205 20 70 DGIDMO COC(C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)OC ZINC000160632480 432732792 /nfs/dbraw/zinc/73/27/92/432732792.db2.gz QIJUJLBFOYDXGX-CYBMUJFWSA-N 1 1 314.223 3.205 20 70 DGIDMO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCCC1 ZINC000160807310 432742715 /nfs/dbraw/zinc/74/27/15/432742715.db2.gz POSOCPWRQGYBHO-OAHLLOKOSA-N 1 1 307.482 3.368 20 70 DGIDMO c1nc2ccccn2c1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000160805630 432743115 /nfs/dbraw/zinc/74/31/15/432743115.db2.gz CDSUIFUWMAPQOU-SFHVURJKSA-N 1 1 321.424 3.373 20 70 DGIDMO CC[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(F)cc1F ZINC000160836139 432744432 /nfs/dbraw/zinc/74/44/32/432744432.db2.gz PRUKUCCBOVTKMZ-INIZCTEOSA-N 1 1 310.388 3.454 20 70 DGIDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160865665 432745293 /nfs/dbraw/zinc/74/52/93/432745293.db2.gz NMPUKXRVNVKSDG-INMHGKMJSA-N 1 1 307.482 3.223 20 70 DGIDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCn2cccc2)C1 ZINC000159489162 529216593 /nfs/dbraw/zinc/21/65/93/529216593.db2.gz SEPFLMOJTVWTDJ-KRWDZBQOSA-N 1 1 319.493 3.285 20 70 DGIDMO Cc1nccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1Cl ZINC000159916353 546057588 /nfs/dbraw/zinc/05/75/88/546057588.db2.gz CUXWSFGONCDNTR-ZDUSSCGKSA-N 1 1 324.856 3.382 20 70 DGIDMO CCC1CCC([N@@H+](CCCCS(C)(=O)=O)C2CC2)CC1 ZINC000161494041 546069310 /nfs/dbraw/zinc/06/93/10/546069310.db2.gz NGSAPMIEEYUJOE-UHFFFAOYSA-N 1 1 301.496 3.244 20 70 DGIDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159747630 186139463 /nfs/dbraw/zinc/13/94/63/186139463.db2.gz SDAIATIYSJFODY-WWGRRREGSA-N 1 1 324.852 3.068 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000160071308 197383401 /nfs/dbraw/zinc/38/34/01/197383401.db2.gz RJYJEVKQAYUPAF-CABCVRRESA-N 1 1 319.449 3.024 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000160071308 197383403 /nfs/dbraw/zinc/38/34/03/197383403.db2.gz RJYJEVKQAYUPAF-CABCVRRESA-N 1 1 319.449 3.024 20 70 DGIDMO CC[N@@H+](C)CCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000160145257 197389009 /nfs/dbraw/zinc/38/90/09/197389009.db2.gz RQUPKHYNVOREAL-GFCCVEGCSA-N 1 1 316.367 3.267 20 70 DGIDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000159868580 197370031 /nfs/dbraw/zinc/37/00/31/197370031.db2.gz PRAWDDJQMOTIFH-UHFFFAOYSA-N 1 1 322.412 3.123 20 70 DGIDMO CS[C@@H](C)CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000159771240 197363044 /nfs/dbraw/zinc/36/30/44/197363044.db2.gz DLMIRIQIAMOWCK-AWEZNQCLSA-N 1 1 308.491 3.285 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NCc1ccccc1 ZINC000159494910 197358189 /nfs/dbraw/zinc/35/81/89/197358189.db2.gz HCXRXWZKSUXFKT-QWHCGFSZSA-N 1 1 318.367 3.320 20 70 DGIDMO CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000159495052 400729697 /nfs/dbraw/zinc/72/96/97/400729697.db2.gz CWAUEFQNWPPWPZ-DNVCBOLYSA-N 1 1 314.473 3.343 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC[S@@](=O)c2ccccc2)n1 ZINC000160383477 400733547 /nfs/dbraw/zinc/73/35/47/400733547.db2.gz UZHWDEQVGGTWHP-AVRDEDQJSA-N 1 1 314.454 3.335 20 70 DGIDMO C[N@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000216738589 165376570 /nfs/dbraw/zinc/37/65/70/165376570.db2.gz YIJNWWTXFIFBSF-GOSISDBHSA-N 1 1 302.368 3.454 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccccc1OC(F)(F)F ZINC000217399882 432654620 /nfs/dbraw/zinc/65/46/20/432654620.db2.gz NOKXKNGYFYOVET-LBPRGKRZSA-N 1 1 304.356 3.405 20 70 DGIDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250517 432658798 /nfs/dbraw/zinc/65/87/98/432658798.db2.gz PAXHXHWUIKPUFO-NWDGAFQWSA-N 1 1 311.451 3.193 20 70 DGIDMO CC(C)(C)NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000159850852 432699885 /nfs/dbraw/zinc/69/98/85/432699885.db2.gz BCSBWRBJDSZJKC-GFCCVEGCSA-N 1 1 302.340 3.184 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCOCC(F)(F)F)n1 ZINC000159960657 432703655 /nfs/dbraw/zinc/70/36/55/432703655.db2.gz WHKBICBCEUSWRJ-AWEZNQCLSA-N 1 1 302.340 3.496 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2)n1 ZINC000160096503 432706714 /nfs/dbraw/zinc/70/67/14/432706714.db2.gz SEAZLUWOKPXULC-LPHOPBHVSA-N 1 1 323.440 3.404 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)n1 ZINC000160096503 432706718 /nfs/dbraw/zinc/70/67/18/432706718.db2.gz SEAZLUWOKPXULC-LPHOPBHVSA-N 1 1 323.440 3.404 20 70 DGIDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCSC(C)(C)C2)CC1 ZINC000160088693 432706976 /nfs/dbraw/zinc/70/69/76/432706976.db2.gz RTDBUQRECJHLFC-UHFFFAOYSA-N 1 1 312.523 3.099 20 70 DGIDMO CCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000160313330 432713901 /nfs/dbraw/zinc/71/39/01/432713901.db2.gz XRRPMBSXTXDKRN-NVXWUHKLSA-N 1 1 303.450 3.089 20 70 DGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1CCC(C)(C)CC1 ZINC000160313093 432713980 /nfs/dbraw/zinc/71/39/80/432713980.db2.gz MZJABSQTULTWSR-UHFFFAOYSA-N 1 1 324.509 3.020 20 70 DGIDMO CC[C@H](C[NH2+][C@H]1CCN(CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312366 432714074 /nfs/dbraw/zinc/71/40/74/432714074.db2.gz SSEBCCJGELLYDY-UXLLHSPISA-N 1 1 308.441 3.303 20 70 DGIDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000160329931 432716196 /nfs/dbraw/zinc/71/61/96/432716196.db2.gz UGRAJAQZMAAGKC-SFHVURJKSA-N 1 1 310.397 3.116 20 70 DGIDMO CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160342748 432716420 /nfs/dbraw/zinc/71/64/20/432716420.db2.gz MUHORULTGZTZNP-NVXWUHKLSA-N 1 1 303.450 3.091 20 70 DGIDMO CCc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)o1 ZINC000160419493 432718915 /nfs/dbraw/zinc/71/89/15/432718915.db2.gz CXSBNDJBXZQORJ-KBWBKQHASA-N 1 1 304.434 3.044 20 70 DGIDMO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccccc1OC ZINC000160427139 432719306 /nfs/dbraw/zinc/71/93/06/432719306.db2.gz RUSBNZVVKORJSZ-UHFFFAOYSA-N 1 1 301.434 3.186 20 70 DGIDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccccc1OC ZINC000160427139 432719309 /nfs/dbraw/zinc/71/93/09/432719309.db2.gz RUSBNZVVKORJSZ-UHFFFAOYSA-N 1 1 301.434 3.186 20 70 DGIDMO COc1ccccc1C[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000160412973 432719431 /nfs/dbraw/zinc/71/94/31/432719431.db2.gz NCADONPBSABIAH-UHFFFAOYSA-N 1 1 313.397 3.489 20 70 DGIDMO COc1ccccc1C[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000160412973 432719435 /nfs/dbraw/zinc/71/94/35/432719435.db2.gz NCADONPBSABIAH-UHFFFAOYSA-N 1 1 313.397 3.489 20 70 DGIDMO C[N@@H+](CCc1cccc(OC(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159624579 432689660 /nfs/dbraw/zinc/68/96/60/432689660.db2.gz RQTLENWPBVHKDL-ZFWWWQNUSA-N 1 1 317.351 3.221 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000160920554 432750101 /nfs/dbraw/zinc/75/01/01/432750101.db2.gz XSAWFJUIOORKRG-MRXNPFEDSA-N 1 1 301.496 3.244 20 70 DGIDMO C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1c(F)cccc1F ZINC000161056747 432756150 /nfs/dbraw/zinc/75/61/50/432756150.db2.gz IMSQFHNOWGIKOD-FZMZJTMJSA-N 1 1 322.355 3.080 20 70 DGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061453 432758522 /nfs/dbraw/zinc/75/85/22/432758522.db2.gz HUCZCFKYDKOYAI-XIRDDKMYSA-N 1 1 318.461 3.371 20 70 DGIDMO COC(=O)[C@H](c1cccnc1)[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000161126666 432761329 /nfs/dbraw/zinc/76/13/29/432761329.db2.gz YTMCDIYDLKBLEE-WBAXXEDZSA-N 1 1 310.397 3.174 20 70 DGIDMO COC(=O)[C@H](c1cccnc1)[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000161126666 432761332 /nfs/dbraw/zinc/76/13/32/432761332.db2.gz YTMCDIYDLKBLEE-WBAXXEDZSA-N 1 1 310.397 3.174 20 70 DGIDMO C[C@H](c1cccnc1)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161188909 432764577 /nfs/dbraw/zinc/76/45/77/432764577.db2.gz NYQZTGPTQSLSRP-OAHLLOKOSA-N 1 1 317.477 3.359 20 70 DGIDMO CCC[N@@H+](CCO)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000161220842 432767274 /nfs/dbraw/zinc/76/72/74/432767274.db2.gz GHGOLXCKHQSLFJ-UHFFFAOYSA-N 1 1 313.401 3.038 20 70 DGIDMO C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)COCc1ccccc1 ZINC000161298473 432772097 /nfs/dbraw/zinc/77/20/97/432772097.db2.gz VUFQKHVZLZYQLO-YWTNHNAXSA-N 1 1 304.478 3.158 20 70 DGIDMO C[N@H+](Cc1ccon1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160571886 432728568 /nfs/dbraw/zinc/72/85/68/432728568.db2.gz QNBXRYDYHOKODP-YIONKMFJSA-N 1 1 321.421 3.037 20 70 DGIDMO C[N@@H+](Cc1ccon1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160571886 432728570 /nfs/dbraw/zinc/72/85/70/432728570.db2.gz QNBXRYDYHOKODP-YIONKMFJSA-N 1 1 321.421 3.037 20 70 DGIDMO CC(C)n1ccnc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000160746119 432738734 /nfs/dbraw/zinc/73/87/34/432738734.db2.gz RDORBVLJISPUJH-IBGZPJMESA-N 1 1 313.445 3.410 20 70 DGIDMO CCCC[N@H+](C/C(C)=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000160776889 432740853 /nfs/dbraw/zinc/74/08/53/432740853.db2.gz PCZPELNVJNOHFQ-QCUIPMNBSA-N 1 1 321.486 3.379 20 70 DGIDMO CCCC[N@@H+](C/C(C)=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000160776889 432740858 /nfs/dbraw/zinc/74/08/58/432740858.db2.gz PCZPELNVJNOHFQ-QCUIPMNBSA-N 1 1 321.486 3.379 20 70 DGIDMO CCCC[N@H+](Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000160762596 432741296 /nfs/dbraw/zinc/74/12/96/432741296.db2.gz IJWUJTZSTIENSF-HNNXBMFYSA-N 1 1 321.442 3.222 20 70 DGIDMO CCCC[N@@H+](Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000160762596 432741299 /nfs/dbraw/zinc/74/12/99/432741299.db2.gz IJWUJTZSTIENSF-HNNXBMFYSA-N 1 1 321.442 3.222 20 70 DGIDMO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C1CCCCC1 ZINC000160807445 432743088 /nfs/dbraw/zinc/74/30/88/432743088.db2.gz POSOCPWRQGYBHO-HNNXBMFYSA-N 1 1 307.482 3.368 20 70 DGIDMO Cc1ccc(C[NH2+][C@@H](C)c2ccccn2)c(O[C@@H]2CCOC2)c1 ZINC000159368940 292791167 /nfs/dbraw/zinc/79/11/67/292791167.db2.gz KMPIPTUEQSNGFZ-DOTOQJQBSA-N 1 1 312.413 3.409 20 70 DGIDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768632 290241635 /nfs/dbraw/zinc/24/16/35/290241635.db2.gz KKVLVVLIFJCUDU-CABCVRRESA-N 1 1 312.523 3.241 20 70 DGIDMO Cc1ccc(C(=O)CC[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000160300814 526042971 /nfs/dbraw/zinc/04/29/71/526042971.db2.gz LYEBJCBZQLFKJB-UHFFFAOYSA-N 1 1 311.425 3.452 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000159832269 529029523 /nfs/dbraw/zinc/02/95/23/529029523.db2.gz UNJGEEAOZYGOKE-INIZCTEOSA-N 1 1 303.450 3.102 20 70 DGIDMO CCN(C(=O)NCCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160442821 546059992 /nfs/dbraw/zinc/05/99/92/546059992.db2.gz AYYKZZXHAXJGJP-SFHVURJKSA-N 1 1 315.461 3.093 20 70 DGIDMO CC[C@H](CC(=O)NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000160129726 197387990 /nfs/dbraw/zinc/38/79/90/197387990.db2.gz NIVCEVYEZLNZMK-HZPDHXFCSA-N 1 1 318.461 3.037 20 70 DGIDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000159775329 197363812 /nfs/dbraw/zinc/36/38/12/197363812.db2.gz XLUQLYJBPGIYKM-UHFFFAOYSA-N 1 1 323.396 3.138 20 70 DGIDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOCC1CC1 ZINC000160101291 400732243 /nfs/dbraw/zinc/73/22/43/400732243.db2.gz WILTZAXNUQCRBP-UHFFFAOYSA-N 1 1 313.445 3.368 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)CCC(C)C)c2c1 ZINC000160635945 400734701 /nfs/dbraw/zinc/73/47/01/400734701.db2.gz UTYVKSNUORYBPK-UHFFFAOYSA-N 1 1 316.401 3.115 20 70 DGIDMO Cc1cccc(C(C)(C)NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000160662623 400735040 /nfs/dbraw/zinc/73/50/40/400735040.db2.gz HFEMPSZSERVXSS-QGZVFWFLSA-N 1 1 315.461 3.014 20 70 DGIDMO COc1ccccc1CC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000159831658 278048502 /nfs/dbraw/zinc/04/85/02/278048502.db2.gz HPEKOJKRSLFDSD-UHFFFAOYSA-N 1 1 309.413 3.326 20 70 DGIDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250465 432659161 /nfs/dbraw/zinc/65/91/61/432659161.db2.gz PAXHXHWUIKPUFO-VXGBXAGGSA-N 1 1 311.451 3.193 20 70 DGIDMO CCOCCC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000159755465 432696280 /nfs/dbraw/zinc/69/62/80/432696280.db2.gz ZJZQKDIDMPFUGE-UHFFFAOYSA-N 1 1 304.203 3.447 20 70 DGIDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159937548 432701270 /nfs/dbraw/zinc/70/12/70/432701270.db2.gz BEHLRGOMHNCRLD-CQSZACIVSA-N 1 1 320.481 3.167 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCCOCC(F)(F)F)n1 ZINC000159960783 432702941 /nfs/dbraw/zinc/70/29/41/432702941.db2.gz WHKBICBCEUSWRJ-CQSZACIVSA-N 1 1 302.340 3.496 20 70 DGIDMO CCCC(=O)N[C@@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000160187911 432709611 /nfs/dbraw/zinc/70/96/11/432709611.db2.gz OZTFXORXKWLSRN-QGZVFWFLSA-N 1 1 318.461 3.009 20 70 DGIDMO CC(C)CO[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160170762 432710487 /nfs/dbraw/zinc/71/04/87/432710487.db2.gz VKCPSTZWNFMCPS-QGZVFWFLSA-N 1 1 324.509 3.018 20 70 DGIDMO CSc1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1F ZINC000160289200 432713121 /nfs/dbraw/zinc/71/31/21/432713121.db2.gz QPKIBDVKMGCLRQ-ZDUSSCGKSA-N 1 1 324.465 3.398 20 70 DGIDMO COCC[N@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000160455633 432721136 /nfs/dbraw/zinc/72/11/36/432721136.db2.gz OXQHAPUNEFJYJL-UHFFFAOYSA-N 1 1 309.413 3.291 20 70 DGIDMO COCC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000160455633 432721140 /nfs/dbraw/zinc/72/11/40/432721140.db2.gz OXQHAPUNEFJYJL-UHFFFAOYSA-N 1 1 309.413 3.291 20 70 DGIDMO C[C@H]1C[C@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519380 432724117 /nfs/dbraw/zinc/72/41/17/432724117.db2.gz NGRDUHNHEUSORH-FUHWJXTLSA-N 1 1 316.493 3.034 20 70 DGIDMO C[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[C@@H]1O ZINC000159483504 432685785 /nfs/dbraw/zinc/68/57/85/432685785.db2.gz ZYZMIPKHSRWBAF-FZMZJTMJSA-N 1 1 316.214 3.181 20 70 DGIDMO C[C@@H](CC1CCCC1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159613407 432690377 /nfs/dbraw/zinc/69/03/77/432690377.db2.gz AUMAHKGKLXIMAB-INIZCTEOSA-N 1 1 324.509 3.020 20 70 DGIDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1F ZINC000160996986 432752984 /nfs/dbraw/zinc/75/29/84/432752984.db2.gz UDTGERQTCSBEJG-IINYFYTJSA-N 1 1 323.343 3.329 20 70 DGIDMO CC(C)c1ncc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000161079612 432758503 /nfs/dbraw/zinc/75/85/03/432758503.db2.gz CASKFDGBDQMMLM-CYBMUJFWSA-N 1 1 309.479 3.117 20 70 DGIDMO COCc1cc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097367 432760261 /nfs/dbraw/zinc/76/02/61/432760261.db2.gz CJRLHLKDKGGLAY-JLSDUUJJSA-N 1 1 320.477 3.365 20 70 DGIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000161157444 432763834 /nfs/dbraw/zinc/76/38/34/432763834.db2.gz ZEQSGQPAGFFAPZ-KBXCAEBGSA-N 1 1 303.450 3.170 20 70 DGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000161157444 432763840 /nfs/dbraw/zinc/76/38/40/432763840.db2.gz ZEQSGQPAGFFAPZ-KBXCAEBGSA-N 1 1 303.450 3.170 20 70 DGIDMO CCC[N@@H+](CCO)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000161201063 432765116 /nfs/dbraw/zinc/76/51/16/432765116.db2.gz RTCSEKCSRYEDNB-UHFFFAOYSA-N 1 1 321.852 3.347 20 70 DGIDMO CCC[N@@H+](CCO)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000161219664 432766833 /nfs/dbraw/zinc/76/68/33/432766833.db2.gz WZQXEMVLUSAFOH-UHFFFAOYSA-N 1 1 300.402 3.387 20 70 DGIDMO COC(C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)OC ZINC000160642367 432733451 /nfs/dbraw/zinc/73/34/51/432733451.db2.gz FZEROPBLDWRWEQ-ZDUSSCGKSA-N 1 1 314.223 3.205 20 70 DGIDMO COC(C[N@H+]1CCC[C@H]1c1ccc(Br)cc1)OC ZINC000160642367 432733455 /nfs/dbraw/zinc/73/34/55/432733455.db2.gz FZEROPBLDWRWEQ-ZDUSSCGKSA-N 1 1 314.223 3.205 20 70 DGIDMO Cc1ccc(C(=O)CC[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000160691575 432735612 /nfs/dbraw/zinc/73/56/12/432735612.db2.gz UWOJYZZVYHKRRH-LJQANCHMSA-N 1 1 309.409 3.160 20 70 DGIDMO CCCC[N@H+](C/C(C)=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160776767 432741333 /nfs/dbraw/zinc/74/13/33/432741333.db2.gz PCZPELNVJNOHFQ-IYICPGQYSA-N 1 1 321.486 3.379 20 70 DGIDMO CCCC[N@@H+](C/C(C)=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160776767 432741338 /nfs/dbraw/zinc/74/13/38/432741338.db2.gz PCZPELNVJNOHFQ-IYICPGQYSA-N 1 1 321.486 3.379 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000160800173 432741690 /nfs/dbraw/zinc/74/16/90/432741690.db2.gz SWKFMPONZGYMOP-XYJFISCASA-N 1 1 319.493 3.467 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccn1 ZINC000160800173 432741695 /nfs/dbraw/zinc/74/16/95/432741695.db2.gz SWKFMPONZGYMOP-XYJFISCASA-N 1 1 319.493 3.467 20 70 DGIDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000160792751 432741792 /nfs/dbraw/zinc/74/17/92/432741792.db2.gz AASVCKONGWZKBV-GFCCVEGCSA-N 1 1 302.349 3.124 20 70 DGIDMO CS[C@H](C)CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000160809727 432742845 /nfs/dbraw/zinc/74/28/45/432742845.db2.gz KDQBAPOPFZAPDL-OAHLLOKOSA-N 1 1 312.523 3.243 20 70 DGIDMO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1nnc2ccccn21 ZINC000160847771 432746155 /nfs/dbraw/zinc/74/61/55/432746155.db2.gz HVKQGHYMHIFHQC-SNVBAGLBSA-N 1 1 304.756 3.373 20 70 DGIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCCC(C)(C)C ZINC000160254294 292810860 /nfs/dbraw/zinc/81/08/60/292810860.db2.gz KEGPGCUSMWEGOC-UHFFFAOYSA-N 1 1 312.498 3.020 20 70 DGIDMO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160430672 524501849 /nfs/dbraw/zinc/50/18/49/524501849.db2.gz YIMXASRMDYTYLC-IBGZPJMESA-N 1 1 323.440 3.152 20 70 DGIDMO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160430672 524501856 /nfs/dbraw/zinc/50/18/56/524501856.db2.gz YIMXASRMDYTYLC-IBGZPJMESA-N 1 1 323.440 3.152 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CCC(C)CC2)n1 ZINC000160426545 524895151 /nfs/dbraw/zinc/89/51/51/524895151.db2.gz QRUMGLPQTHFXIP-JFUPDXTOSA-N 1 1 315.461 3.222 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CCC(C)CC2)n1 ZINC000160426545 524895160 /nfs/dbraw/zinc/89/51/60/524895160.db2.gz QRUMGLPQTHFXIP-JFUPDXTOSA-N 1 1 315.461 3.222 20 70 DGIDMO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000161372028 528026316 /nfs/dbraw/zinc/02/63/16/528026316.db2.gz CXXOLYDLMURUBV-UHFFFAOYSA-N 1 1 315.417 3.126 20 70 DGIDMO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cn1 ZINC000159587063 546055569 /nfs/dbraw/zinc/05/55/69/546055569.db2.gz 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ZINC000218762532 432661175 /nfs/dbraw/zinc/66/11/75/432661175.db2.gz PRLOQKIZCCYAIM-KRWDZBQOSA-N 1 1 319.832 3.384 20 70 DGIDMO CC(C)c1ncc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)s1 ZINC000159785112 432695461 /nfs/dbraw/zinc/69/54/61/432695461.db2.gz OUHAJAAXZFQMPY-CHWSQXEVSA-N 1 1 309.479 3.117 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000160548344 432726091 /nfs/dbraw/zinc/72/60/91/432726091.db2.gz YTZYKLKMKOHYRD-ZDUSSCGKSA-N 1 1 301.477 3.098 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000160548344 432726093 /nfs/dbraw/zinc/72/60/93/432726093.db2.gz YTZYKLKMKOHYRD-ZDUSSCGKSA-N 1 1 301.477 3.098 20 70 DGIDMO c1ccc2c(c1)cccc2OCCSCC[NH+]1CCOCC1 ZINC000159944530 432701456 /nfs/dbraw/zinc/70/14/56/432701456.db2.gz GAAMBOOINONVPQ-UHFFFAOYSA-N 1 1 317.454 3.284 20 70 DGIDMO CCCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000159959619 432702301 /nfs/dbraw/zinc/70/23/01/432702301.db2.gz AFNNUTQBOQEDIA-MAUKXSAKSA-N 1 1 315.461 3.091 20 70 DGIDMO 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CCC[N@@H+](CC)CCNC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000159911474 432700864 /nfs/dbraw/zinc/70/08/64/432700864.db2.gz QBXFFUYLNPUDSR-CYBMUJFWSA-N 1 1 312.404 3.307 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000159987075 432703807 /nfs/dbraw/zinc/70/38/07/432703807.db2.gz HZWFBHHQNJCUFQ-MSOLQXFVSA-N 1 1 300.377 3.400 20 70 DGIDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)c1ccc(C)cc1 ZINC000160084493 432707054 /nfs/dbraw/zinc/70/70/54/432707054.db2.gz RANJMORGYCNWKS-MSOLQXFVSA-N 1 1 300.446 3.126 20 70 DGIDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)c1ccc(C)cc1 ZINC000160084493 432707059 /nfs/dbraw/zinc/70/70/59/432707059.db2.gz RANJMORGYCNWKS-MSOLQXFVSA-N 1 1 300.446 3.126 20 70 DGIDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)c1ccc(C)cc1 ZINC000160084493 432707063 /nfs/dbraw/zinc/70/70/63/432707063.db2.gz RANJMORGYCNWKS-MSOLQXFVSA-N 1 1 300.446 3.126 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC2CCCCC2)n1 ZINC000160209305 432709742 /nfs/dbraw/zinc/70/97/42/432709742.db2.gz 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432718953 /nfs/dbraw/zinc/71/89/53/432718953.db2.gz WASSXNHYGIKCPH-HUUCEWRRSA-N 1 1 306.425 3.166 20 70 DGIDMO CC[C@@H](C)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)on1 ZINC000160403481 432719072 /nfs/dbraw/zinc/71/90/72/432719072.db2.gz RVGRAWCDTAFIJW-ZIAGYGMSSA-N 1 1 307.438 3.038 20 70 DGIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000160509030 432724883 /nfs/dbraw/zinc/72/48/83/432724883.db2.gz ZDRXZBAUIWDMLM-DOMZBBRYSA-N 1 1 316.367 3.014 20 70 DGIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000160509030 432724886 /nfs/dbraw/zinc/72/48/86/432724886.db2.gz ZDRXZBAUIWDMLM-DOMZBBRYSA-N 1 1 316.367 3.014 20 70 DGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000160529494 432726725 /nfs/dbraw/zinc/72/67/25/432726725.db2.gz OSLRNKFYMRWVRJ-KBPBESRZSA-N 1 1 319.449 3.340 20 70 DGIDMO C[N@@H+](CCc1cccc(OC(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159624714 432690996 /nfs/dbraw/zinc/69/09/96/432690996.db2.gz RQTLENWPBVHKDL-HIFRSBDPSA-N 1 1 317.351 3.221 20 70 DGIDMO CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1cccc(Cl)c1 ZINC000160870495 432747537 /nfs/dbraw/zinc/74/75/37/432747537.db2.gz MEMRULUTCYODRG-UHFFFAOYSA-N 1 1 317.882 3.375 20 70 DGIDMO CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1cccc(Cl)c1 ZINC000160870495 432747542 /nfs/dbraw/zinc/74/75/42/432747542.db2.gz MEMRULUTCYODRG-UHFFFAOYSA-N 1 1 317.882 3.375 20 70 DGIDMO CC[C@H](NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)c1cnn(C)c1 ZINC000161012719 432754376 /nfs/dbraw/zinc/75/43/76/432754376.db2.gz NDZJQQZSWVOSCD-WBVHZDCISA-N 1 1 306.498 3.361 20 70 DGIDMO CC[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](CC)C1)c1cnn(C)c1 ZINC000161012719 432754381 /nfs/dbraw/zinc/75/43/81/432754381.db2.gz NDZJQQZSWVOSCD-WBVHZDCISA-N 1 1 306.498 3.361 20 70 DGIDMO CC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045620 432756896 /nfs/dbraw/zinc/75/68/96/432756896.db2.gz GMKVPLLSKWQZST-IKGGRYGDSA-N 1 1 318.461 3.371 20 70 DGIDMO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161032490 432756906 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CCCCOc1ccc(CC[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000161390491 432775997 /nfs/dbraw/zinc/77/59/97/432775997.db2.gz AAAZDLFEUZXXDP-LPHOPBHVSA-N 1 1 304.478 3.338 20 70 DGIDMO Cc1nnc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)n1C ZINC000161452333 432779164 /nfs/dbraw/zinc/77/91/64/432779164.db2.gz VVVNKXSCKRPXMT-UHFFFAOYSA-N 1 1 313.232 3.455 20 70 DGIDMO c1nc2ccccn2c1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000161438780 432779240 /nfs/dbraw/zinc/77/92/40/432779240.db2.gz PDJXGUOTKUPSOI-GOSISDBHSA-N 1 1 321.424 3.168 20 70 DGIDMO Cc1n[nH]cc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161488692 432781194 /nfs/dbraw/zinc/78/11/94/432781194.db2.gz YASQNIRYEOLEGB-UHFFFAOYSA-N 1 1 318.396 3.096 20 70 DGIDMO Cc1n[nH]cc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161488692 432781198 /nfs/dbraw/zinc/78/11/98/432781198.db2.gz YASQNIRYEOLEGB-UHFFFAOYSA-N 1 1 318.396 3.096 20 70 DGIDMO CC(C)c1csc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000160580362 432728789 /nfs/dbraw/zinc/72/87/89/432728789.db2.gz FKALTTPXFZXBFV-XQQFMLRXSA-N 1 1 309.479 3.144 20 70 DGIDMO C[C@H]1C[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@H+]1C ZINC000160587919 432730078 /nfs/dbraw/zinc/73/00/78/432730078.db2.gz JCTHGVQGIRJOFQ-UONOGXRCSA-N 1 1 307.507 3.027 20 70 DGIDMO C[C@H]1C[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CCN1C ZINC000160587919 432730081 /nfs/dbraw/zinc/73/00/81/432730081.db2.gz JCTHGVQGIRJOFQ-UONOGXRCSA-N 1 1 307.507 3.027 20 70 DGIDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160604732 432730299 /nfs/dbraw/zinc/73/02/99/432730299.db2.gz XPXMJBQRKXZACV-FMKPAKJESA-N 1 1 321.534 3.273 20 70 DGIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160604732 432730302 /nfs/dbraw/zinc/73/03/02/432730302.db2.gz XPXMJBQRKXZACV-FMKPAKJESA-N 1 1 321.534 3.273 20 70 DGIDMO CCc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000160727196 432737922 /nfs/dbraw/zinc/73/79/22/432737922.db2.gz UZUUUUNFQDDXEQ-UHFFFAOYSA-N 1 1 320.396 3.319 20 70 DGIDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccoc1 ZINC000160743149 432739368 /nfs/dbraw/zinc/73/93/68/432739368.db2.gz VIWVCBZOYAHMMQ-IAQYHMDHSA-N 1 1 304.777 3.389 20 70 DGIDMO Cc1ncc([C@@H](C)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862686 432745990 /nfs/dbraw/zinc/74/59/90/432745990.db2.gz XTBUQTUNRUVXAK-LSDHHAIUSA-N 1 1 312.461 3.265 20 70 DGIDMO Cc1ncc([C@@H](C)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862686 432745993 /nfs/dbraw/zinc/74/59/93/432745993.db2.gz XTBUQTUNRUVXAK-LSDHHAIUSA-N 1 1 312.461 3.265 20 70 DGIDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000161502835 432783169 /nfs/dbraw/zinc/78/31/69/432783169.db2.gz XGBBYQAEBRXFHP-VQIMIIECSA-N 1 1 323.440 3.149 20 70 DGIDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)N1CCCCCC1 ZINC000159499919 292793845 /nfs/dbraw/zinc/79/38/45/292793845.db2.gz HWIVZZODSZMOPA-CHWSQXEVSA-N 1 1 310.388 3.407 20 70 DGIDMO Fc1cccc(Cl)c1CCSCC[NH+]1CCOCC1 ZINC000159935329 292803603 /nfs/dbraw/zinc/80/36/03/292803603.db2.gz FIHKKHZSIRBSIW-UHFFFAOYSA-N 1 1 303.830 3.087 20 70 DGIDMO Cc1cccc(C)c1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000160326845 292811850 /nfs/dbraw/zinc/81/18/50/292811850.db2.gz STXDONQQUXPCGP-OAHLLOKOSA-N 1 1 307.401 3.130 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000160377187 527978263 /nfs/dbraw/zinc/97/82/63/527978263.db2.gz FTAFEUGTHVSOEM-KURKYZTESA-N 1 1 300.446 3.027 20 70 DGIDMO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159814143 528157940 /nfs/dbraw/zinc/15/79/40/528157940.db2.gz PZACYOPJZSQUTD-GOSISDBHSA-N 1 1 317.477 3.135 20 70 DGIDMO CC(C)C[N@@H+]1CCO[C@H](CN[C@@H](C)c2ccccc2Cl)C1 ZINC000216641313 575273507 /nfs/dbraw/zinc/27/35/07/575273507.db2.gz MMMJWLJSGUNUQO-LSDHHAIUSA-N 1 1 310.869 3.347 20 70 DGIDMO CC(C)C[N@H+]1CCO[C@H](CN[C@@H](C)c2ccccc2Cl)C1 ZINC000216641313 575273508 /nfs/dbraw/zinc/27/35/08/575273508.db2.gz MMMJWLJSGUNUQO-LSDHHAIUSA-N 1 1 310.869 3.347 20 70 DGIDMO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1cscn1 ZINC000218240726 627104615 /nfs/dbraw/zinc/10/46/15/627104615.db2.gz MUUDHGWJRKFYDI-LLVKDONJSA-N 1 1 311.451 3.193 20 70 DGIDMO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1OCCC(C)C ZINC000161508772 197500417 /nfs/dbraw/zinc/50/04/17/197500417.db2.gz QMWARRFHQPGJQJ-CQSZACIVSA-N 1 1 308.447 3.021 20 70 DGIDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc(C2CC2)ns1 ZINC000160230789 197393553 /nfs/dbraw/zinc/39/35/53/197393553.db2.gz WKQVHUQDKMLQTN-WFASDCNBSA-N 1 1 314.458 3.348 20 70 DGIDMO CC(C)c1noc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234808 197394530 /nfs/dbraw/zinc/39/45/30/197394530.db2.gz LQSCVEYHFCUGND-ZFWWWQNUSA-N 1 1 300.406 3.125 20 70 DGIDMO CC(C)c1noc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234808 197394532 /nfs/dbraw/zinc/39/45/32/197394532.db2.gz LQSCVEYHFCUGND-ZFWWWQNUSA-N 1 1 300.406 3.125 20 70 DGIDMO COc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000159870648 197370453 /nfs/dbraw/zinc/37/04/53/197370453.db2.gz STDZMRIMBSPZGV-NRFANRHFSA-N 1 1 303.427 3.065 20 70 DGIDMO Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000159766602 197362539 /nfs/dbraw/zinc/36/25/39/197362539.db2.gz TUIURURAJQJWPU-RTBURBONSA-N 1 1 314.473 3.179 20 70 DGIDMO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000159463199 197356358 /nfs/dbraw/zinc/35/63/58/197356358.db2.gz YJPWIUVZKYAQOE-IHRRRGAJSA-N 1 1 318.442 3.172 20 70 DGIDMO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000159463471 197355913 /nfs/dbraw/zinc/35/59/13/197355913.db2.gz YJPWIUVZKYAQOE-MJBXVCDLSA-N 1 1 318.442 3.172 20 70 DGIDMO C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC000159443287 197354224 /nfs/dbraw/zinc/35/42/24/197354224.db2.gz INKHMPDDBPGGSS-YUELXQCFSA-N 1 1 322.399 3.154 20 70 DGIDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NC1CCCCC1 ZINC000159449532 197353929 /nfs/dbraw/zinc/35/39/29/197353929.db2.gz ZNVBCCJQNHSZON-RYUDHWBXSA-N 1 1 310.388 3.453 20 70 DGIDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000218762567 263836271 /nfs/dbraw/zinc/83/62/71/263836271.db2.gz PRLOQKIZCCYAIM-QGZVFWFLSA-N 1 1 319.832 3.384 20 70 DGIDMO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000159701927 278207294 /nfs/dbraw/zinc/20/72/94/278207294.db2.gz AKFOBTKKPOMWGT-ZNMIVQPWSA-N 1 1 313.445 3.088 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000160230547 281255505 /nfs/dbraw/zinc/25/55/05/281255505.db2.gz PDYYODYLGPKYJN-RVKKMQEKSA-N 1 1 315.461 3.031 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000160230547 281255507 /nfs/dbraw/zinc/25/55/07/281255507.db2.gz PDYYODYLGPKYJN-RVKKMQEKSA-N 1 1 315.461 3.031 20 70 DGIDMO COC(=O)C1([NH2+]CCCOCCc2ccccc2)CCCCC1 ZINC000217232628 432655216 /nfs/dbraw/zinc/65/52/16/432655216.db2.gz MQMNXHNITQTPCD-UHFFFAOYSA-N 1 1 319.445 3.101 20 70 DGIDMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000160107014 432707432 /nfs/dbraw/zinc/70/74/32/432707432.db2.gz DHVRGKWTMUEBIU-INIZCTEOSA-N 1 1 323.444 3.330 20 70 DGIDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000160216667 432711643 /nfs/dbraw/zinc/71/16/43/432711643.db2.gz URAVWIWPICGHGZ-OAHLLOKOSA-N 1 1 300.358 3.107 20 70 DGIDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000160216667 432711646 /nfs/dbraw/zinc/71/16/46/432711646.db2.gz URAVWIWPICGHGZ-OAHLLOKOSA-N 1 1 300.358 3.107 20 70 DGIDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000160323312 432713044 /nfs/dbraw/zinc/71/30/44/432713044.db2.gz XTWIOZUBCWLGSI-CQSZACIVSA-N 1 1 304.390 3.004 20 70 DGIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000160323312 432713050 /nfs/dbraw/zinc/71/30/50/432713050.db2.gz XTWIOZUBCWLGSI-CQSZACIVSA-N 1 1 304.390 3.004 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)n1 ZINC000160274780 432713251 /nfs/dbraw/zinc/71/32/51/432713251.db2.gz VNAYAURIHHOVPG-GOSISDBHSA-N 1 1 309.413 3.474 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)n1 ZINC000160274780 432713255 /nfs/dbraw/zinc/71/32/55/432713255.db2.gz VNAYAURIHHOVPG-GOSISDBHSA-N 1 1 309.413 3.474 20 70 DGIDMO CCc1nn(C)c(CC)c1C[N@@H+](CCOC)Cc1ccccc1 ZINC000160455949 432722122 /nfs/dbraw/zinc/72/21/22/432722122.db2.gz DMWHWDPUKAQJBY-UHFFFAOYSA-N 1 1 315.461 3.194 20 70 DGIDMO c1nc2ccccn2c1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159491926 432685063 /nfs/dbraw/zinc/68/50/63/432685063.db2.gz DVYGAKNQQMUPIH-FQEVSTJZSA-N 1 1 319.408 3.008 20 70 DGIDMO c1nc2ccccn2c1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159491926 432685068 /nfs/dbraw/zinc/68/50/68/432685068.db2.gz DVYGAKNQQMUPIH-FQEVSTJZSA-N 1 1 319.408 3.008 20 70 DGIDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160551640 432726737 /nfs/dbraw/zinc/72/67/37/432726737.db2.gz SZQCOHIVXCNCQW-OAHLLOKOSA-N 1 1 307.397 3.332 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000160980490 432752312 /nfs/dbraw/zinc/75/23/12/432752312.db2.gz RVHLEOCWPSIQKV-SFHVURJKSA-N 1 1 321.486 3.352 20 70 DGIDMO CCc1ccc(CC(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000160978852 432752907 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Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2F)n1 ZINC000159868157 432698684 /nfs/dbraw/zinc/69/86/84/432698684.db2.gz HTVZDXRLJKFLQU-MSOLQXFVSA-N 1 1 300.377 3.400 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C(C)C)C(C)C)n1 ZINC000160100135 432706039 /nfs/dbraw/zinc/70/60/39/432706039.db2.gz GVBVUOXJNGVPTG-KRWDZBQOSA-N 1 1 303.450 3.172 20 70 DGIDMO CC[N@H+]1CC[C@@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160127596 432708016 /nfs/dbraw/zinc/70/80/16/432708016.db2.gz HJUPMVRLHZLURT-ZDUSSCGKSA-N 1 1 316.376 3.157 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160135084 432709163 /nfs/dbraw/zinc/70/91/63/432709163.db2.gz HNTHLMSNOFVVBJ-IRXDYDNUSA-N 1 1 314.477 3.312 20 70 DGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160135084 432709169 /nfs/dbraw/zinc/70/91/69/432709169.db2.gz HNTHLMSNOFVVBJ-IRXDYDNUSA-N 1 1 314.477 3.312 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCCC(C)(C)C)n1 ZINC000160255844 432711657 /nfs/dbraw/zinc/71/16/57/432711657.db2.gz SNNMSHZQPFQOLC-MRXNPFEDSA-N 1 1 303.450 3.079 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCCC(C)(C)C)n1 ZINC000160255844 432711659 /nfs/dbraw/zinc/71/16/59/432711659.db2.gz SNNMSHZQPFQOLC-MRXNPFEDSA-N 1 1 303.450 3.079 20 70 DGIDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cn21 ZINC000160341827 432716413 /nfs/dbraw/zinc/71/64/13/432716413.db2.gz CKCWZCBQOUWVOV-ZDUSSCGKSA-N 1 1 309.369 3.222 20 70 DGIDMO COCCOc1ccccc1C[N@H+](C)Cc1ccccc1OC ZINC000160422137 432718514 /nfs/dbraw/zinc/71/85/14/432718514.db2.gz AEXZCIJTIWNHFL-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO COCCOc1ccccc1C[N@@H+](C)Cc1ccccc1OC ZINC000160422137 432718516 /nfs/dbraw/zinc/71/85/16/432718516.db2.gz AEXZCIJTIWNHFL-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO Cc1ccc(C[NH2+][C@H](C)c2ccccn2)c(O[C@H]2CCOC2)c1 ZINC000159369354 432681238 /nfs/dbraw/zinc/68/12/38/432681238.db2.gz KMPIPTUEQSNGFZ-WBVHZDCISA-N 1 1 312.413 3.409 20 70 DGIDMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC000160903412 432749571 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Cc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000160640046 432731930 /nfs/dbraw/zinc/73/19/30/432731930.db2.gz MNOJNTINURWAKK-UHFFFAOYSA-N 1 1 306.413 3.423 20 70 DGIDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000160755898 432739432 /nfs/dbraw/zinc/73/94/32/432739432.db2.gz GFSQPEKILLVUBJ-RYRKJORJSA-N 1 1 310.445 3.038 20 70 DGIDMO CS[C@@H](C)CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000160809600 432743129 /nfs/dbraw/zinc/74/31/29/432743129.db2.gz KDQBAPOPFZAPDL-HNNXBMFYSA-N 1 1 312.523 3.243 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000160814583 432744845 /nfs/dbraw/zinc/74/48/45/432744845.db2.gz SQBZONUECYUSMH-RYRKJORJSA-N 1 1 319.493 3.325 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CCN(C)C[C@H]2C)ccn1 ZINC000160814583 432744850 /nfs/dbraw/zinc/74/48/50/432744850.db2.gz SQBZONUECYUSMH-RYRKJORJSA-N 1 1 319.493 3.325 20 70 DGIDMO Cc1ncc([C@H](C)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862805 432746440 /nfs/dbraw/zinc/74/64/40/432746440.db2.gz XTBUQTUNRUVXAK-GJZGRUSLSA-N 1 1 312.461 3.265 20 70 DGIDMO Cc1ncc([C@H](C)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862805 432746442 /nfs/dbraw/zinc/74/64/42/432746442.db2.gz XTBUQTUNRUVXAK-GJZGRUSLSA-N 1 1 312.461 3.265 20 70 DGIDMO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160430525 524501337 /nfs/dbraw/zinc/50/13/37/524501337.db2.gz YIMXASRMDYTYLC-LJQANCHMSA-N 1 1 323.440 3.152 20 70 DGIDMO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160430525 524501348 /nfs/dbraw/zinc/50/13/48/524501348.db2.gz YIMXASRMDYTYLC-LJQANCHMSA-N 1 1 323.440 3.152 20 70 DGIDMO CC[C@@H](C)[N@H+](C)CCN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000160087582 529344242 /nfs/dbraw/zinc/34/42/42/529344242.db2.gz NKNLXFBYHTXEAI-ZBFHGGJFSA-N 1 1 308.466 3.475 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000160087582 529344244 /nfs/dbraw/zinc/34/42/44/529344244.db2.gz NKNLXFBYHTXEAI-ZBFHGGJFSA-N 1 1 308.466 3.475 20 70 DGIDMO CCc1ccc([C@H](C)NC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000159531570 529720368 /nfs/dbraw/zinc/72/03/68/529720368.db2.gz WCZDOMYPWIZFNN-HNNXBMFYSA-N 1 1 303.450 3.047 20 70 DGIDMO CSCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159706413 186136927 /nfs/dbraw/zinc/13/69/27/186136927.db2.gz HJLDNMQSAVHULQ-QGZVFWFLSA-N 1 1 320.502 3.301 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000160071436 197383421 /nfs/dbraw/zinc/38/34/21/197383421.db2.gz RJYJEVKQAYUPAF-GJZGRUSLSA-N 1 1 319.449 3.024 20 70 DGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000160071436 197383423 /nfs/dbraw/zinc/38/34/23/197383423.db2.gz RJYJEVKQAYUPAF-GJZGRUSLSA-N 1 1 319.449 3.024 20 70 DGIDMO C[C@H](CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000160132561 197388372 /nfs/dbraw/zinc/38/83/72/197388372.db2.gz CAEBNSBJIIZIAV-CHWSQXEVSA-N 1 1 322.399 3.059 20 70 DGIDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2(C)CCC2)cc1F ZINC000160002257 197379300 /nfs/dbraw/zinc/37/93/00/197379300.db2.gz KOQIHMVOVLSYHB-UHFFFAOYSA-N 1 1 316.380 3.062 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N1CCC(C)CC1 ZINC000159419189 197352279 /nfs/dbraw/zinc/35/22/79/197352279.db2.gz YRUACEYSQSLILX-QWHCGFSZSA-N 1 1 310.388 3.262 20 70 DGIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nccn1C(F)F ZINC000159375833 197349214 /nfs/dbraw/zinc/34/92/14/197349214.db2.gz QPUNWHUCFQQYAH-UHFFFAOYSA-N 1 1 322.403 3.278 20 70 DGIDMO COc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113902 286356174 /nfs/dbraw/zinc/35/61/74/286356174.db2.gz LVABHGHAQYLMMX-KBMXLJTQSA-N 1 1 306.450 3.227 20 70 DGIDMO COC(=O)[C@H](c1cccnc1)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000161126778 277386737 /nfs/dbraw/zinc/38/67/37/277386737.db2.gz YTMCDIYDLKBLEE-OLMNPRSZSA-N 1 1 310.397 3.174 20 70 DGIDMO COC(=O)[C@H](c1cccnc1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000161126778 277386739 /nfs/dbraw/zinc/38/67/39/277386739.db2.gz YTMCDIYDLKBLEE-OLMNPRSZSA-N 1 1 310.397 3.174 20 70 DGIDMO Brc1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C2)c1 ZINC000217267655 432654786 /nfs/dbraw/zinc/65/47/86/432654786.db2.gz ORWFMBXJHDKMEV-HIFRSBDPSA-N 1 1 310.235 3.417 20 70 DGIDMO OCC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159741268 432694169 /nfs/dbraw/zinc/69/41/69/432694169.db2.gz BAMNVNKVZMWNCJ-CYBMUJFWSA-N 1 1 303.324 3.322 20 70 DGIDMO CC[N@@H+](Cc1ccc(C(=O)N2CCOC(C)(C)C2)cc1)C(C)C ZINC000160096446 432707544 /nfs/dbraw/zinc/70/75/44/432707544.db2.gz GGBZWESJXVLOOQ-UHFFFAOYSA-N 1 1 318.461 3.168 20 70 DGIDMO CC(C)N(C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000160139136 432708799 /nfs/dbraw/zinc/70/87/99/432708799.db2.gz KVEDNBZZQPOXLN-WBVHZDCISA-N 1 1 315.461 3.232 20 70 DGIDMO CC[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)Oc1ccccc1F ZINC000160315399 432714552 /nfs/dbraw/zinc/71/45/52/432714552.db2.gz INFQBLMJCTWPNE-LJIGWXMPSA-N 1 1 308.441 3.301 20 70 DGIDMO COc1ccccc1C[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000160417921 432719396 /nfs/dbraw/zinc/71/93/96/432719396.db2.gz XXTQNDBZIRFVQE-UHFFFAOYSA-N 1 1 311.429 3.322 20 70 DGIDMO COc1ccccc1C[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000160417921 432719400 /nfs/dbraw/zinc/71/94/00/432719400.db2.gz XXTQNDBZIRFVQE-UHFFFAOYSA-N 1 1 311.429 3.322 20 70 DGIDMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000159463063 432683488 /nfs/dbraw/zinc/68/34/88/432683488.db2.gz YJPWIUVZKYAQOE-RDBSUJKOSA-N 1 1 318.442 3.172 20 70 DGIDMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1occc1C ZINC000160898089 432747418 /nfs/dbraw/zinc/74/74/18/432747418.db2.gz OAIHTHAUCMJULC-UHFFFAOYSA-N 1 1 316.401 3.447 20 70 DGIDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1occc1C ZINC000160898089 432747424 /nfs/dbraw/zinc/74/74/24/432747424.db2.gz OAIHTHAUCMJULC-UHFFFAOYSA-N 1 1 316.401 3.447 20 70 DGIDMO Cc1nc2ccccn2c1CN1CC[N@H+](C)CC12CCCCC2 ZINC000160897379 432748100 /nfs/dbraw/zinc/74/81/00/432748100.db2.gz KSEJGVNCULXTGR-UHFFFAOYSA-N 1 1 312.461 3.093 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000160920677 432749462 /nfs/dbraw/zinc/74/94/62/432749462.db2.gz XSAWFJUIOORKRG-INIZCTEOSA-N 1 1 301.496 3.244 20 70 DGIDMO CC(=O)NC1CCC(Nc2ccc([NH+]3CCCC3)cc2C)CC1 ZINC000161077847 432758369 /nfs/dbraw/zinc/75/83/69/432758369.db2.gz BFVJCLZYYTVPQO-UHFFFAOYSA-N 1 1 315.461 3.454 20 70 DGIDMO CCC[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161095983 432759328 /nfs/dbraw/zinc/75/93/28/432759328.db2.gz ORKGDRJFJHAJRC-OAHLLOKOSA-N 1 1 301.496 3.102 20 70 DGIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000161122462 432761274 /nfs/dbraw/zinc/76/12/74/432761274.db2.gz VQAXGKPKUVKTCL-UHFFFAOYSA-N 1 1 323.444 3.245 20 70 DGIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000161157579 432763487 /nfs/dbraw/zinc/76/34/87/432763487.db2.gz ZEQSGQPAGFFAPZ-KSSFIOAISA-N 1 1 303.450 3.170 20 70 DGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000161157579 432763489 /nfs/dbraw/zinc/76/34/89/432763489.db2.gz ZEQSGQPAGFFAPZ-KSSFIOAISA-N 1 1 303.450 3.170 20 70 DGIDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[C@H](C)C2)cn1 ZINC000161236869 432768168 /nfs/dbraw/zinc/76/81/68/432768168.db2.gz QOAIMMUKGBJRIK-BBRMVZONSA-N 1 1 312.417 3.018 20 70 DGIDMO COc1cccc2c(NCCCNC(=O)C(C)C)cc(C)[nH+]c12 ZINC000161437862 432779033 /nfs/dbraw/zinc/77/90/33/432779033.db2.gz GVSQRIIMVKCYAK-UHFFFAOYSA-N 1 1 315.417 3.126 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC000160535686 432727579 /nfs/dbraw/zinc/72/75/79/432727579.db2.gz ZYKUGYOXCUJTRR-OAHLLOKOSA-N 1 1 311.429 3.085 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC000160568998 432729509 /nfs/dbraw/zinc/72/95/09/432729509.db2.gz YBFDZAYRKDRTMV-CYBMUJFWSA-N 1 1 312.816 3.329 20 70 DGIDMO Cc1ccc(C(=O)CC[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000160691444 432735963 /nfs/dbraw/zinc/73/59/63/432735963.db2.gz UWOJYZZVYHKRRH-IBGZPJMESA-N 1 1 309.409 3.160 20 70 DGIDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000160756024 432739159 /nfs/dbraw/zinc/73/91/59/432739159.db2.gz GFSQPEKILLVUBJ-BQFCYCMXSA-N 1 1 310.445 3.038 20 70 DGIDMO FC(F)(F)c1ccc(CSCC[NH+]2CCOCC2)cc1 ZINC000159874455 292802249 /nfs/dbraw/zinc/80/22/49/292802249.db2.gz RHOWCLWOBXGVJI-UHFFFAOYSA-N 1 1 305.365 3.271 20 70 DGIDMO CC(C)c1ccc(CC2CC[NH+](Cc3nncn3C)CC2)cc1 ZINC000159952236 292804442 /nfs/dbraw/zinc/80/44/42/292804442.db2.gz IBWOTVVCCBSFCL-UHFFFAOYSA-N 1 1 312.461 3.393 20 70 DGIDMO C[C@@H]([NH2+]CCCOc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000160715602 292820394 /nfs/dbraw/zinc/82/03/94/292820394.db2.gz JGWNZAUOMAGKSF-CYBMUJFWSA-N 1 1 303.406 3.487 20 70 DGIDMO c1ccc(CSCCCSCC[NH+]2CCOCC2)cc1 ZINC000159842608 500689886 /nfs/dbraw/zinc/68/98/86/500689886.db2.gz YPYXZYXBHLGHRH-UHFFFAOYSA-N 1 1 311.516 3.375 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000159679484 529026550 /nfs/dbraw/zinc/02/65/50/529026550.db2.gz YGZASCHNBNCQOE-SFHVURJKSA-N 1 1 317.477 3.163 20 70 DGIDMO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1Br ZINC000217897941 627103754 /nfs/dbraw/zinc/10/37/54/627103754.db2.gz WELMZNFWFKLKQV-BETUJISGSA-N 1 1 308.219 3.188 20 70 DGIDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1Br ZINC000217897941 627103756 /nfs/dbraw/zinc/10/37/56/627103756.db2.gz WELMZNFWFKLKQV-BETUJISGSA-N 1 1 308.219 3.188 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000159530521 186125694 /nfs/dbraw/zinc/12/56/94/186125694.db2.gz SBGAJASWSSJDDW-ZDUSSCGKSA-N 1 1 309.841 3.138 20 70 DGIDMO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cncs1 ZINC000160698020 299407090 /nfs/dbraw/zinc/40/70/90/299407090.db2.gz JTGMFEOPYLCZHX-DZGCQCFKSA-N 1 1 315.442 3.157 20 70 DGIDMO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCCCO1 ZINC000159536973 197360468 /nfs/dbraw/zinc/36/04/68/197360468.db2.gz HWGGXEJKMVDSHF-CYBMUJFWSA-N 1 1 304.365 3.482 20 70 DGIDMO C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCCCO1 ZINC000159536973 197360470 /nfs/dbraw/zinc/36/04/70/197360470.db2.gz HWGGXEJKMVDSHF-CYBMUJFWSA-N 1 1 304.365 3.482 20 70 DGIDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1N(C)C ZINC000159432229 197353045 /nfs/dbraw/zinc/35/30/45/197353045.db2.gz LYOXAZYHDKNQAB-CYBMUJFWSA-N 1 1 312.392 3.390 20 70 DGIDMO CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C)cc1 ZINC000159490396 400729722 /nfs/dbraw/zinc/72/97/22/400729722.db2.gz YGJYLGOMRZKIPQ-IEBWSBKVSA-N 1 1 314.473 3.479 20 70 DGIDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2sccc2C1 ZINC000159709884 400731372 /nfs/dbraw/zinc/73/13/72/400731372.db2.gz HZRHEOZSBHPRBP-HOCLYGCPSA-N 1 1 318.486 3.287 20 70 DGIDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)c1cccs1 ZINC000159996231 400732672 /nfs/dbraw/zinc/73/26/72/400732672.db2.gz IHQXSINREQMJIZ-AWEZNQCLSA-N 1 1 323.506 3.007 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC[S@@](=O)c2ccccc2)n1 ZINC000160383601 400733486 /nfs/dbraw/zinc/73/34/86/400733486.db2.gz UZHWDEQVGGTWHP-GCJKJVERSA-N 1 1 314.454 3.335 20 70 DGIDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCN1CCOCC1 ZINC000217137999 165375456 /nfs/dbraw/zinc/37/54/56/165375456.db2.gz AVUBHXRTYHYJMD-GFCCVEGCSA-N 1 1 317.260 3.318 20 70 DGIDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1nccs1 ZINC000159480270 278268481 /nfs/dbraw/zinc/26/84/81/278268481.db2.gz LYXOZGDINRPBEX-IUCAKERBSA-N 1 1 311.357 3.099 20 70 DGIDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250646 432658489 /nfs/dbraw/zinc/65/84/89/432658489.db2.gz PAXHXHWUIKPUFO-RYUDHWBXSA-N 1 1 311.451 3.193 20 70 DGIDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000218689569 432660265 /nfs/dbraw/zinc/66/02/65/432660265.db2.gz YGQOKRFWBAXQIV-QGZVFWFLSA-N 1 1 319.832 3.254 20 70 DGIDMO COCCOc1cccc(C[N@@H+](C)Cc2ccc(OC)cc2)c1 ZINC000159852138 432698591 /nfs/dbraw/zinc/69/85/91/432698591.db2.gz RHMIBKGXXHXQMG-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000159986939 432703188 /nfs/dbraw/zinc/70/31/88/432703188.db2.gz HZWFBHHQNJCUFQ-ROUUACIJSA-N 1 1 300.377 3.400 20 70 DGIDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C)cn1 ZINC000160119752 432709128 /nfs/dbraw/zinc/70/91/28/432709128.db2.gz ZMOYMXVIPHNLRI-UHFFFAOYSA-N 1 1 318.392 3.057 20 70 DGIDMO Cc1nc(CCCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cs1 ZINC000160431770 432720512 /nfs/dbraw/zinc/72/05/12/432720512.db2.gz KNCCFTUJCJXCPE-MRXNPFEDSA-N 1 1 323.506 3.011 20 70 DGIDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000160437775 432720785 /nfs/dbraw/zinc/72/07/85/432720785.db2.gz QIBDIOCKTXRPHZ-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO CCOC(=O)c1ccc(C[N@H+](CCOC)Cc2ccccc2)o1 ZINC000160452886 432721068 /nfs/dbraw/zinc/72/10/68/432721068.db2.gz GRMTVPGSJLWVHU-UHFFFAOYSA-N 1 1 317.385 3.105 20 70 DGIDMO CCOC(=O)c1ccc(C[N@@H+](CCOC)Cc2ccccc2)o1 ZINC000160452886 432721071 /nfs/dbraw/zinc/72/10/71/432721071.db2.gz GRMTVPGSJLWVHU-UHFFFAOYSA-N 1 1 317.385 3.105 20 70 DGIDMO Cc1csc(C(C)(C)[NH2+]Cc2c(C)nc3ccccn32)n1 ZINC000160476983 432723533 /nfs/dbraw/zinc/72/35/33/432723533.db2.gz OKCYXZSGSUMTSA-UHFFFAOYSA-N 1 1 300.431 3.433 20 70 DGIDMO C[C@H]1C[C@@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519632 432724981 /nfs/dbraw/zinc/72/49/81/432724981.db2.gz NGRDUHNHEUSORH-WMZOPIPTSA-N 1 1 316.493 3.034 20 70 DGIDMO C[N@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[C@@H]1O ZINC000159483641 432685552 /nfs/dbraw/zinc/68/55/52/432685552.db2.gz ZYZMIPKHSRWBAF-RISCZKNCSA-N 1 1 316.214 3.181 20 70 DGIDMO CCc1cccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000159560731 432686091 /nfs/dbraw/zinc/68/60/91/432686091.db2.gz FPZSCDJNKCYSDV-MOPGFXCFSA-N 1 1 314.473 3.265 20 70 DGIDMO CCCC[N@@H+](CCOC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159598744 432688290 /nfs/dbraw/zinc/68/82/90/432688290.db2.gz LDFIWJMDBQQSLD-UHFFFAOYSA-N 1 1 312.498 3.020 20 70 DGIDMO C[N@@H+](Cc1csc(Nc2ccccc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159652110 432690806 /nfs/dbraw/zinc/69/08/06/432690806.db2.gz FWXAMLUTGSCANI-CJNGLKHVSA-N 1 1 317.458 3.480 20 70 DGIDMO C[N@H+](Cc1csc(Nc2ccccc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159652110 432690808 /nfs/dbraw/zinc/69/08/08/432690808.db2.gz FWXAMLUTGSCANI-CJNGLKHVSA-N 1 1 317.458 3.480 20 70 DGIDMO COc1cccc(C[N@@H+](CCOCC2CC2)C[C@@H]2CCCO2)c1 ZINC000159654431 432691796 /nfs/dbraw/zinc/69/17/96/432691796.db2.gz RLCAWWLFXPGQNH-IBGZPJMESA-N 1 1 319.445 3.103 20 70 DGIDMO Cc1[nH+]ccn1CCCN(C)C(=O)CCCSC(C)(C)C ZINC000161020947 432753779 /nfs/dbraw/zinc/75/37/79/432753779.db2.gz CMHGLDWYICZGOP-UHFFFAOYSA-N 1 1 311.495 3.352 20 70 DGIDMO COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000161110980 432759630 /nfs/dbraw/zinc/75/96/30/432759630.db2.gz ACTMKCZWHOEHRL-NXEWRWPSSA-N 1 1 314.473 3.197 20 70 DGIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000161157857 432763391 /nfs/dbraw/zinc/76/33/91/432763391.db2.gz KHRMQNSHGGFTEL-INIZCTEOSA-N 1 1 315.461 3.299 20 70 DGIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000161157857 432763394 /nfs/dbraw/zinc/76/33/94/432763394.db2.gz KHRMQNSHGGFTEL-INIZCTEOSA-N 1 1 315.461 3.299 20 70 DGIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(OC)cc1OC ZINC000161202347 432766400 /nfs/dbraw/zinc/76/64/00/432766400.db2.gz BUJJGQYTBDASHA-GJZGRUSLSA-N 1 1 306.450 3.229 20 70 DGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(OC)cc1OC ZINC000161202347 432766405 /nfs/dbraw/zinc/76/64/05/432766405.db2.gz BUJJGQYTBDASHA-GJZGRUSLSA-N 1 1 306.450 3.229 20 70 DGIDMO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)o1 ZINC000161220079 432767088 /nfs/dbraw/zinc/76/70/88/432767088.db2.gz QXMBSGMZKIJDNQ-KGLIPLIRSA-N 1 1 300.402 3.198 20 70 DGIDMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161398924 432775724 /nfs/dbraw/zinc/77/57/24/432775724.db2.gz CUFXQVWOWXJFGP-MDGVGCGJSA-N 1 1 308.429 3.117 20 70 DGIDMO COC(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)OC ZINC000161459912 432779976 /nfs/dbraw/zinc/77/99/76/432779976.db2.gz CBLUSKKTBSCTOM-KBPBESRZSA-N 1 1 313.463 3.035 20 70 DGIDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)nc3ccccn32)C1(C)C ZINC000160570283 432729341 /nfs/dbraw/zinc/72/93/41/432729341.db2.gz LTWWPPFESDDMBT-JKSUJKDBSA-N 1 1 301.434 3.278 20 70 DGIDMO CC(C)CSCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000160740831 432739015 /nfs/dbraw/zinc/73/90/15/432739015.db2.gz LPPRNPPPSYVWRT-MRXNPFEDSA-N 1 1 308.491 3.185 20 70 DGIDMO CCCC[N@@H+](CC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160787500 432741433 /nfs/dbraw/zinc/74/14/33/432741433.db2.gz XUOUNKXYMZJEQJ-MRXNPFEDSA-N 1 1 301.496 3.246 20 70 DGIDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cnc2ccccn12 ZINC000160354024 525008692 /nfs/dbraw/zinc/00/86/92/525008692.db2.gz XNUQRTHCUIJVEK-QGZVFWFLSA-N 1 1 320.440 3.041 20 70 DGIDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160404660 525380059 /nfs/dbraw/zinc/38/00/59/525380059.db2.gz GUZNGGPLWMRTAS-CALCHBBNSA-N 1 1 321.509 3.330 20 70 DGIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccnc(C)c1Cl ZINC000159389350 546053856 /nfs/dbraw/zinc/05/38/56/546053856.db2.gz XCFNEZFUYOYRSW-UHFFFAOYSA-N 1 1 321.812 3.102 20 70 DGIDMO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cn1 ZINC000159586944 546055557 /nfs/dbraw/zinc/05/55/57/546055557.db2.gz ZHJOKPSCUBMOOK-FQEVSTJZSA-N 1 1 318.424 3.422 20 70 DGIDMO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159704264 546056080 /nfs/dbraw/zinc/05/60/80/546056080.db2.gz JYHNKVZXWUEMTB-HOTGVXAUSA-N 1 1 311.433 3.044 20 70 DGIDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCCC[C@@H]2CO)c(C)c1 ZINC000159962978 546057466 /nfs/dbraw/zinc/05/74/66/546057466.db2.gz RHNTWGHFLBVRDQ-QGZVFWFLSA-N 1 1 318.461 3.177 20 70 DGIDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160822882 546062872 /nfs/dbraw/zinc/06/28/72/546062872.db2.gz SZMHHECHLYAMPA-IYOUNJFTSA-N 1 1 318.461 3.230 20 70 DGIDMO C[C@@H](CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000160132398 197388146 /nfs/dbraw/zinc/38/81/46/197388146.db2.gz CAEBNSBJIIZIAV-QWHCGFSZSA-N 1 1 322.399 3.059 20 70 DGIDMO COCCOc1ccccc1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000159866337 197369693 /nfs/dbraw/zinc/36/96/93/197369693.db2.gz YWVYNQVDMKZSFY-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1N(C)C ZINC000159432118 197353612 /nfs/dbraw/zinc/35/36/12/197353612.db2.gz LYOXAZYHDKNQAB-ZDUSSCGKSA-N 1 1 312.392 3.390 20 70 DGIDMO C[C@@H](c1ccccc1Cl)N1CCC([N@@H+](C)CCCO)CC1 ZINC000217213760 165376332 /nfs/dbraw/zinc/37/63/32/165376332.db2.gz DHXYVQCYYWVSJV-AWEZNQCLSA-N 1 1 310.869 3.180 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000217372635 165378652 /nfs/dbraw/zinc/37/86/52/165378652.db2.gz XHBXOQVHZGFKAV-GFCCVEGCSA-N 1 1 314.857 3.177 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000217372635 165378657 /nfs/dbraw/zinc/37/86/57/165378657.db2.gz XHBXOQVHZGFKAV-GFCCVEGCSA-N 1 1 314.857 3.177 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCNCc1csc(-c2ccccn2)n1 ZINC000217388754 432655102 /nfs/dbraw/zinc/65/51/02/432655102.db2.gz CEPAVUAMZYVFBW-ZDUSSCGKSA-N 1 1 304.463 3.025 20 70 DGIDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159853603 432699409 /nfs/dbraw/zinc/69/94/09/432699409.db2.gz YTWHAMXKTXKNFR-OCCSQVGLSA-N 1 1 303.324 3.178 20 70 DGIDMO CCCC(=O)Nc1cccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000159887424 432699914 /nfs/dbraw/zinc/69/99/14/432699914.db2.gz 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/nfs/dbraw/zinc/68/10/82/432681082.db2.gz NLQKJWAMNIGSTE-CQSZACIVSA-N 1 1 319.474 3.039 20 70 DGIDMO COCC[N@@H+](C)CCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000159411271 432681085 /nfs/dbraw/zinc/68/10/85/432681085.db2.gz NLQKJWAMNIGSTE-CQSZACIVSA-N 1 1 319.474 3.039 20 70 DGIDMO CS[C@H](C)CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160881345 432746942 /nfs/dbraw/zinc/74/69/42/432746942.db2.gz KOXQFSFJMZPJEN-HZSPNIEDSA-N 1 1 300.512 3.001 20 70 DGIDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1F ZINC000160996870 432752951 /nfs/dbraw/zinc/75/29/51/432752951.db2.gz UDTGERQTCSBEJG-HZMBPMFUSA-N 1 1 323.343 3.329 20 70 DGIDMO CC[C@H](NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)c1cnn(C)c1 ZINC000161012834 432753751 /nfs/dbraw/zinc/75/37/51/432753751.db2.gz NDZJQQZSWVOSCD-RDJZCZTQSA-N 1 1 306.498 3.361 20 70 DGIDMO CC[C@H]([NH2+]CC(C)(C)N1CCC[C@H](CC)C1)c1cnn(C)c1 ZINC000161012834 432753755 /nfs/dbraw/zinc/75/37/55/432753755.db2.gz NDZJQQZSWVOSCD-RDJZCZTQSA-N 1 1 306.498 3.361 20 70 DGIDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161032361 432755779 /nfs/dbraw/zinc/75/57/79/432755779.db2.gz NYTHKDYOCUFWSV-NVXWUHKLSA-N 1 1 303.450 3.083 20 70 DGIDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161032361 432755783 /nfs/dbraw/zinc/75/57/83/432755783.db2.gz NYTHKDYOCUFWSV-NVXWUHKLSA-N 1 1 303.450 3.083 20 70 DGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160605120 432730616 /nfs/dbraw/zinc/73/06/16/432730616.db2.gz XPXMJBQRKXZACV-IJEWVQPXSA-N 1 1 321.534 3.273 20 70 DGIDMO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cncs1 ZINC000160697901 432735550 /nfs/dbraw/zinc/73/55/50/432735550.db2.gz JTGMFEOPYLCZHX-HIFRSBDPSA-N 1 1 315.442 3.157 20 70 DGIDMO CC(C)n1ccnc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000160736754 432738938 /nfs/dbraw/zinc/73/89/38/432738938.db2.gz KRVRZUDZQZNLIF-UHFFFAOYSA-N 1 1 312.461 3.172 20 70 DGIDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCc1ccc(F)cc1F ZINC000160756563 432739614 /nfs/dbraw/zinc/73/96/14/432739614.db2.gz 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/nfs/dbraw/zinc/70/45/80/432704580.db2.gz KUCQKAYHEWYAEO-CALCHBBNSA-N 1 1 306.494 3.393 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000160110884 432706583 /nfs/dbraw/zinc/70/65/83/432706583.db2.gz BQHVHSXCRWUZLM-HOTGVXAUSA-N 1 1 317.477 3.194 20 70 DGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000160110884 432706585 /nfs/dbraw/zinc/70/65/85/432706585.db2.gz BQHVHSXCRWUZLM-HOTGVXAUSA-N 1 1 317.477 3.194 20 70 DGIDMO CC[N@H+]1CC[C@H](CNC(=O)CCc2ccc(CC(C)C)cc2)C1 ZINC000160124529 432709117 /nfs/dbraw/zinc/70/91/17/432709117.db2.gz HQUXOVXVYDJVPT-LJQANCHMSA-N 1 1 316.489 3.276 20 70 DGIDMO C[N@@H+](CC(=O)N1CCC[C@H](C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000160283788 432714230 /nfs/dbraw/zinc/71/42/30/432714230.db2.gz NESQRDDMRSTRPB-LSDHHAIUSA-N 1 1 312.523 3.099 20 70 DGIDMO COC(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)OC ZINC000160343827 432715985 /nfs/dbraw/zinc/71/59/85/432715985.db2.gz DWPIMWNMXBTQRS-HNNXBMFYSA-N 1 1 309.456 3.376 20 70 DGIDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1 ZINC000160444817 432720757 /nfs/dbraw/zinc/72/07/57/432720757.db2.gz IVQCWDWLXVEISM-UHFFFAOYSA-N 1 1 301.386 3.049 20 70 DGIDMO Cc1ccc(C[NH2+][C@H](C)c2ccccn2)c(O[C@@H]2CCOC2)c1 ZINC000159369225 432682373 /nfs/dbraw/zinc/68/23/73/432682373.db2.gz KMPIPTUEQSNGFZ-NVXWUHKLSA-N 1 1 312.413 3.409 20 70 DGIDMO CN(C)c1ccccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159485932 432685383 /nfs/dbraw/zinc/68/53/83/432685383.db2.gz CXWDWHYQFVFCNU-NRFANRHFSA-N 1 1 322.452 3.427 20 70 DGIDMO CCn1cc([C@H](C)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000160872680 432747553 /nfs/dbraw/zinc/74/75/53/432747553.db2.gz SJJBMQBSCBJMSA-CVEARBPZSA-N 1 1 300.450 3.074 20 70 DGIDMO CCn1cc([C@H](C)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000160872680 432747558 /nfs/dbraw/zinc/74/75/58/432747558.db2.gz SJJBMQBSCBJMSA-CVEARBPZSA-N 1 1 300.450 3.074 20 70 DGIDMO COCCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC ZINC000160877123 432748407 /nfs/dbraw/zinc/74/84/07/432748407.db2.gz XWSXJLVNOSIEEY-UHFFFAOYSA-N 1 1 319.401 3.254 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000160936667 432751536 /nfs/dbraw/zinc/75/15/36/432751536.db2.gz ROFNQIWOEGOZQB-UHFFFAOYSA-N 1 1 301.496 3.244 20 70 DGIDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1F ZINC000160997243 432752446 /nfs/dbraw/zinc/75/24/46/432752446.db2.gz UDTGERQTCSBEJG-QMTHXVAHSA-N 1 1 323.343 3.329 20 70 DGIDMO COCCOc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161044209 432756172 /nfs/dbraw/zinc/75/61/72/432756172.db2.gz XDOYBIPKISBJDQ-NXHRZFHOSA-N 1 1 320.477 3.235 20 70 DGIDMO CC(C)[N@@H+](C)CC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000161103789 432759194 /nfs/dbraw/zinc/75/91/94/432759194.db2.gz YJWFAOVMTCOROV-UHFFFAOYSA-N 1 1 310.388 3.191 20 70 DGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093659 432760110 /nfs/dbraw/zinc/76/01/10/432760110.db2.gz HLJYAVGRNYXAST-WDYCEAGBSA-N 1 1 312.461 3.396 20 70 DGIDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000161133400 432761179 /nfs/dbraw/zinc/76/11/79/432761179.db2.gz NUBSDUXFBKZYTN-UHFFFAOYSA-N 1 1 315.804 3.006 20 70 DGIDMO Cc1ccccc1[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(C)C ZINC000161173273 432764726 /nfs/dbraw/zinc/76/47/26/432764726.db2.gz PPXQGUSPSNBHEL-QAPCUYQASA-N 1 1 320.502 3.246 20 70 DGIDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1)C(C)C ZINC000161199831 432765422 /nfs/dbraw/zinc/76/54/22/432765422.db2.gz DZGDRSDUOIAZOX-GOSISDBHSA-N 1 1 320.477 3.054 20 70 DGIDMO CCC[N@@H+](CCO)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000161207463 432767155 /nfs/dbraw/zinc/76/71/55/432767155.db2.gz TZGKROQLDMMIJH-UHFFFAOYSA-N 1 1 320.458 3.235 20 70 DGIDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000161236745 432767723 /nfs/dbraw/zinc/76/77/23/432767723.db2.gz QOAIMMUKGBJRIK-XJKSGUPXSA-N 1 1 312.417 3.018 20 70 DGIDMO C[C@@H]1CCC[C@H](OCCCCCC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000161262178 432770125 /nfs/dbraw/zinc/77/01/25/432770125.db2.gz UBTCSNOOKMTYTC-SQNIBIBYSA-N 1 1 324.509 3.210 20 70 DGIDMO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000161391951 432776218 /nfs/dbraw/zinc/77/62/18/432776218.db2.gz SGULIFACVSSKRX-ZBFHGGJFSA-N 1 1 308.853 3.265 20 70 DGIDMO CCCCOc1ccc(CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000161384438 432776356 /nfs/dbraw/zinc/77/63/56/432776356.db2.gz YMYYQUVJGCLRRN-SJLPKXTDSA-N 1 1 304.478 3.480 20 70 DGIDMO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)on1 ZINC000160547760 432727566 /nfs/dbraw/zinc/72/75/66/432727566.db2.gz WMTVEKHJRRBPCT-BFHYXJOUSA-N 1 1 307.438 3.038 20 70 DGIDMO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160567328 432729041 /nfs/dbraw/zinc/72/90/41/432729041.db2.gz BXFVLYLZOAPUSV-RDJZCZTQSA-N 1 1 304.409 3.049 20 70 DGIDMO C[C@@H]1C[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@H+]1C ZINC000160587791 432730681 /nfs/dbraw/zinc/73/06/81/432730681.db2.gz JCTHGVQGIRJOFQ-ZIAGYGMSSA-N 1 1 307.507 3.027 20 70 DGIDMO C[C@@H]1C[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CCN1C ZINC000160587791 432730683 /nfs/dbraw/zinc/73/06/83/432730683.db2.gz JCTHGVQGIRJOFQ-ZIAGYGMSSA-N 1 1 307.507 3.027 20 70 DGIDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccoc1 ZINC000160743432 432738397 /nfs/dbraw/zinc/73/83/97/432738397.db2.gz VIWVCBZOYAHMMQ-ABAIWWIYSA-N 1 1 304.777 3.389 20 70 DGIDMO COc1ccc([C@@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000160775084 432741189 /nfs/dbraw/zinc/74/11/89/432741189.db2.gz MLMPKYYJDWYVKN-GOSISDBHSA-N 1 1 302.462 3.361 20 70 DGIDMO COc1ccc([C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000160775084 432741193 /nfs/dbraw/zinc/74/11/93/432741193.db2.gz MLMPKYYJDWYVKN-GOSISDBHSA-N 1 1 302.462 3.361 20 70 DGIDMO COc1ccc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000160775084 432741196 /nfs/dbraw/zinc/74/11/96/432741196.db2.gz MLMPKYYJDWYVKN-GOSISDBHSA-N 1 1 302.462 3.361 20 70 DGIDMO Cn1cccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161488156 432781909 /nfs/dbraw/zinc/78/19/09/432781909.db2.gz LZVHGZVZHKUTGN-UHFFFAOYSA-N 1 1 317.408 3.403 20 70 DGIDMO Cn1cccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161488156 432781913 /nfs/dbraw/zinc/78/19/13/432781913.db2.gz LZVHGZVZHKUTGN-UHFFFAOYSA-N 1 1 317.408 3.403 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000160854403 432745408 /nfs/dbraw/zinc/74/54/08/432745408.db2.gz LQXDQYXGWNBWLP-AWEZNQCLSA-N 1 1 301.477 3.098 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000160854403 432745414 /nfs/dbraw/zinc/74/54/14/432745414.db2.gz LQXDQYXGWNBWLP-AWEZNQCLSA-N 1 1 301.477 3.098 20 70 DGIDMO C[C@H]1CCC[C@@H](CC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159607951 292796302 /nfs/dbraw/zinc/79/63/02/292796302.db2.gz SHWKXONBNXQXMY-DLBZAZTESA-N 1 1 324.509 3.020 20 70 DGIDMO Cc1nccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1Cl ZINC000159594262 546055252 /nfs/dbraw/zinc/05/52/52/546055252.db2.gz UJYZZSUHPJHQGC-RYUDHWBXSA-N 1 1 324.856 3.285 20 70 DGIDMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)on1 ZINC000159606777 546055455 /nfs/dbraw/zinc/05/54/55/546055455.db2.gz QSBVUUYVHGNBEM-STQMWFEESA-N 1 1 305.422 3.175 20 70 DGIDMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000160106868 282090774 /nfs/dbraw/zinc/09/07/74/282090774.db2.gz DHVRGKWTMUEBIU-MRXNPFEDSA-N 1 1 323.444 3.330 20 70 DGIDMO CC[C@H](C)C[N@@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161047922 529650951 /nfs/dbraw/zinc/65/09/51/529650951.db2.gz UNEVNQQNXVQGQR-LBPRGKRZSA-N 1 1 316.401 3.115 20 70 DGIDMO COc1cccc(CCC[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000159682918 186135217 /nfs/dbraw/zinc/13/52/17/186135217.db2.gz HZJSDNXWOCHRKY-UHFFFAOYSA-N 1 1 315.417 3.378 20 70 DGIDMO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cncs1 ZINC000160697779 299349188 /nfs/dbraw/zinc/34/91/88/299349188.db2.gz JTGMFEOPYLCZHX-ZFWWWQNUSA-N 1 1 315.442 3.157 20 70 DGIDMO Cc1ccc(-c2cc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)on2)cc1 ZINC000159817752 197366243 /nfs/dbraw/zinc/36/62/43/197366243.db2.gz FVWOQEKHOPGULC-QAPCUYQASA-N 1 1 300.402 3.243 20 70 DGIDMO Cc1cc(C)cc(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000159484966 197356822 /nfs/dbraw/zinc/35/68/22/197356822.db2.gz CIYSOBWXYCOEMW-RTBURBONSA-N 1 1 314.473 3.179 20 70 DGIDMO Cc1nc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)cs1 ZINC000159381208 197349864 /nfs/dbraw/zinc/34/98/64/197349864.db2.gz VUSXDRRXGHVWQW-UHFFFAOYSA-N 1 1 303.475 3.452 20 70 DGIDMO C[NH+](C)[C@H](C(=O)NCCc1cc2ccccc2[nH]1)c1ccccc1 ZINC000159658130 228242493 /nfs/dbraw/zinc/24/24/93/228242493.db2.gz GQOBTZUNGGTZMM-IBGZPJMESA-N 1 1 321.424 3.130 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1cccc(F)c1F ZINC000159480406 278361999 /nfs/dbraw/zinc/36/19/99/278361999.db2.gz LYXOZGDINRPBEX-BDAKNGLRSA-N 1 1 311.357 3.099 20 70 DGIDMO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cscn1 ZINC000218258364 432657672 /nfs/dbraw/zinc/65/76/72/432657672.db2.gz JGUWHWXSEFVNMP-ZYHUDNBSSA-N 1 1 311.451 3.097 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)N(C)C)c2)n1 ZINC000159737109 432693813 /nfs/dbraw/zinc/69/38/13/432693813.db2.gz ZSOKHFJLWJLPAN-LJQANCHMSA-N 1 1 323.440 3.429 20 70 DGIDMO COc1ccccc1-c1nnc(C[N@@H+](C)CC2CCCC2)o1 ZINC000159789176 432694948 /nfs/dbraw/zinc/69/49/48/432694948.db2.gz MOXHNUJDMJVDMU-UHFFFAOYSA-N 1 1 301.390 3.367 20 70 DGIDMO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]3c3cccc(C)n3)cc12 ZINC000159843835 432698050 /nfs/dbraw/zinc/69/80/50/432698050.db2.gz RBSMSGOTRFQMGI-GOSISDBHSA-N 1 1 321.428 3.317 20 70 DGIDMO C[C@H]1C[C@@H](NC(=O)N(C)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000159915069 432701709 /nfs/dbraw/zinc/70/17/09/432701709.db2.gz BKKGCLQSNDLCSW-MAUKXSAKSA-N 1 1 315.461 3.091 20 70 DGIDMO CC1(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000160325844 432714349 /nfs/dbraw/zinc/71/43/49/432714349.db2.gz DAKANJRGPNIBIK-AWEZNQCLSA-N 1 1 321.490 3.202 20 70 DGIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000160307556 432714578 /nfs/dbraw/zinc/71/45/78/432714578.db2.gz PRDALOYPDGOONY-AWEZNQCLSA-N 1 1 304.390 3.004 20 70 DGIDMO COc1ccccc1C[N@@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000160414017 432719203 /nfs/dbraw/zinc/71/92/03/432719203.db2.gz AGNCBRMNKTXOKC-UHFFFAOYSA-N 1 1 322.412 3.216 20 70 DGIDMO COC(C[N@@H+](Cc1cccc(Br)c1)C1CC1)OC ZINC000160419004 432719251 /nfs/dbraw/zinc/71/92/51/432719251.db2.gz QZLSAKCKMAECBN-UHFFFAOYSA-N 1 1 314.223 3.032 20 70 DGIDMO COc1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000160416665 432719960 /nfs/dbraw/zinc/71/99/60/432719960.db2.gz HVBIOESTHUYYTB-UHFFFAOYSA-N 1 1 322.412 3.123 20 70 DGIDMO Clc1ccc(-c2n[nH]c(SCCn3ccnc3)n2)cc1 ZINC000159691717 432691846 /nfs/dbraw/zinc/69/18/46/432691846.db2.gz JLVZWZBJAALDJC-UHFFFAOYSA-N 1 1 305.794 3.114 20 70 DGIDMO CCn1cc([C@H](C)NC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000160872938 432746974 /nfs/dbraw/zinc/74/69/74/432746974.db2.gz SJJBMQBSCBJMSA-HOTGVXAUSA-N 1 1 300.450 3.074 20 70 DGIDMO CCn1cc([C@H](C)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000160872938 432746980 /nfs/dbraw/zinc/74/69/80/432746980.db2.gz SJJBMQBSCBJMSA-HOTGVXAUSA-N 1 1 300.450 3.074 20 70 DGIDMO CC[N@@H+](Cc1cnc2ccccn12)[C@@H](COC)Cc1ccccc1 ZINC000160927052 432749964 /nfs/dbraw/zinc/74/99/64/432749964.db2.gz HHXUCMRMXHPKDU-GOSISDBHSA-N 1 1 323.440 3.414 20 70 DGIDMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc(C)c1F ZINC000161055819 432756787 /nfs/dbraw/zinc/75/67/87/432756787.db2.gz ZMJRRIOAVUDBHQ-CQSZACIVSA-N 1 1 304.365 3.068 20 70 DGIDMO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000161082540 432757796 /nfs/dbraw/zinc/75/77/96/432757796.db2.gz OLEICPRCHATMKG-GOSISDBHSA-N 1 1 309.413 3.017 20 70 DGIDMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000161082540 432757799 /nfs/dbraw/zinc/75/77/99/432757799.db2.gz OLEICPRCHATMKG-GOSISDBHSA-N 1 1 309.413 3.017 20 70 DGIDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073624 432758148 /nfs/dbraw/zinc/75/81/48/432758148.db2.gz UITMCAUYKLKACN-FAXKSRBJSA-N 1 1 324.472 3.266 20 70 DGIDMO COCc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097019 432759183 /nfs/dbraw/zinc/75/91/83/432759183.db2.gz CJRLHLKDKGGLAY-QGTPRVQTSA-N 1 1 320.477 3.365 20 70 DGIDMO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113612 432759966 /nfs/dbraw/zinc/75/99/66/432759966.db2.gz LVABHGHAQYLMMX-IMJJTQAJSA-N 1 1 306.450 3.227 20 70 DGIDMO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)o1 ZINC000161220307 432766691 /nfs/dbraw/zinc/76/66/91/432766691.db2.gz QXMBSGMZKIJDNQ-ZIAGYGMSSA-N 1 1 300.402 3.198 20 70 DGIDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000161237054 432767968 /nfs/dbraw/zinc/76/79/68/432767968.db2.gz QOAIMMUKGBJRIK-CJNGLKHVSA-N 1 1 312.417 3.018 20 70 DGIDMO C[C@H]1C[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000161267180 432770297 /nfs/dbraw/zinc/77/02/97/432770297.db2.gz UYYJIBIUNAESQS-DXCKQFNASA-N 1 1 304.409 3.254 20 70 DGIDMO C[C@H]1C[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000161267180 432770300 /nfs/dbraw/zinc/77/03/00/432770300.db2.gz UYYJIBIUNAESQS-DXCKQFNASA-N 1 1 304.409 3.254 20 70 DGIDMO C[C@@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C[C@@H]1O ZINC000161398774 432776423 /nfs/dbraw/zinc/77/64/23/432776423.db2.gz AAQAYOSMCWEYLJ-YGRLFVJLSA-N 1 1 324.396 3.291 20 70 DGIDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C[C@@H]1O ZINC000161398774 432776426 /nfs/dbraw/zinc/77/64/26/432776426.db2.gz AAQAYOSMCWEYLJ-YGRLFVJLSA-N 1 1 324.396 3.291 20 70 DGIDMO O=C(Nc1cccc(F)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160633690 432731497 /nfs/dbraw/zinc/73/14/97/432731497.db2.gz BXDNBHZGCAICIF-OAHLLOKOSA-N 1 1 313.376 3.071 20 70 DGIDMO COC(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)OC ZINC000160642241 432732141 /nfs/dbraw/zinc/73/21/41/432732141.db2.gz FZEROPBLDWRWEQ-CYBMUJFWSA-N 1 1 314.223 3.205 20 70 DGIDMO COC(C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1)OC ZINC000160642241 432732143 /nfs/dbraw/zinc/73/21/43/432732143.db2.gz FZEROPBLDWRWEQ-CYBMUJFWSA-N 1 1 314.223 3.205 20 70 DGIDMO CC(C)n1ccnc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000160745976 432738455 /nfs/dbraw/zinc/73/84/55/432738455.db2.gz RDORBVLJISPUJH-LJQANCHMSA-N 1 1 313.445 3.410 20 70 DGIDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160865927 432745466 /nfs/dbraw/zinc/74/54/66/432745466.db2.gz NMPUKXRVNVKSDG-BFYDXBDKSA-N 1 1 307.482 3.223 20 70 DGIDMO Cc1ncc([C@@H](C)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862480 432745964 /nfs/dbraw/zinc/74/59/64/432745964.db2.gz XTBUQTUNRUVXAK-HUUCEWRRSA-N 1 1 312.461 3.265 20 70 DGIDMO Cc1ncc([C@@H](C)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862480 432745968 /nfs/dbraw/zinc/74/59/68/432745968.db2.gz XTBUQTUNRUVXAK-HUUCEWRRSA-N 1 1 312.461 3.265 20 70 DGIDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160397255 524086950 /nfs/dbraw/zinc/08/69/50/524086950.db2.gz VKAPNXVZHVGLCP-INIZCTEOSA-N 1 1 307.482 3.084 20 70 DGIDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCn2cccc2)C1 ZINC000159489040 529296392 /nfs/dbraw/zinc/29/63/92/529296392.db2.gz SEPFLMOJTVWTDJ-QGZVFWFLSA-N 1 1 319.493 3.285 20 70 DGIDMO CC[N@H+](C)CCNCc1ccc(Br)c2cccnc12 ZINC000160323308 546060306 /nfs/dbraw/zinc/06/03/06/546060306.db2.gz YLVNLNIDFQAUGH-UHFFFAOYSA-N 1 1 322.250 3.039 20 70 DGIDMO CC[N@@H+](C)CCNCc1ccc(Br)c2cccnc12 ZINC000160323308 546060311 /nfs/dbraw/zinc/06/03/11/546060311.db2.gz YLVNLNIDFQAUGH-UHFFFAOYSA-N 1 1 322.250 3.039 20 70 DGIDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160823168 546062593 /nfs/dbraw/zinc/06/25/93/546062593.db2.gz SZMHHECHLYAMPA-DEYYWGMASA-N 1 1 318.461 3.230 20 70 DGIDMO CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](C)c2ccccc2Cl)C1 ZINC000216641269 575273516 /nfs/dbraw/zinc/27/35/16/575273516.db2.gz MMMJWLJSGUNUQO-GJZGRUSLSA-N 1 1 310.869 3.347 20 70 DGIDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](C)c2ccccc2Cl)C1 ZINC000216641269 575273517 /nfs/dbraw/zinc/27/35/17/575273517.db2.gz MMMJWLJSGUNUQO-GJZGRUSLSA-N 1 1 310.869 3.347 20 70 DGIDMO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000159622515 186131507 /nfs/dbraw/zinc/13/15/07/186131507.db2.gz GPDRQYRUZUGWSX-MCMMXHMISA-N 1 1 322.518 3.384 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)CC1 ZINC000159631413 186131965 /nfs/dbraw/zinc/13/19/65/186131965.db2.gz BTJOATIIAVBXRD-CYBMUJFWSA-N 1 1 309.479 3.163 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000160086994 197384838 /nfs/dbraw/zinc/38/48/38/197384838.db2.gz HCINOHGQCBQMHC-KGLIPLIRSA-N 1 1 324.465 3.093 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000160086994 197384840 /nfs/dbraw/zinc/38/48/40/197384840.db2.gz HCINOHGQCBQMHC-KGLIPLIRSA-N 1 1 324.465 3.093 20 70 DGIDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000159875500 197369958 /nfs/dbraw/zinc/36/99/58/197369958.db2.gz ICWLPQKHVOWLMC-UHFFFAOYSA-N 1 1 301.434 3.186 20 70 DGIDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1cnccn1 ZINC000159844188 197368605 /nfs/dbraw/zinc/36/86/05/197368605.db2.gz RJSXBMIFNPJSEV-CQSZACIVSA-N 1 1 307.401 3.130 20 70 DGIDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cnccn1 ZINC000159844055 197367956 /nfs/dbraw/zinc/36/79/56/197367956.db2.gz RJSXBMIFNPJSEV-AWEZNQCLSA-N 1 1 307.401 3.130 20 70 DGIDMO CC(=O)Nc1cccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159790407 197364384 /nfs/dbraw/zinc/36/43/84/197364384.db2.gz NDMUIFUDTDZDFV-UHFFFAOYSA-N 1 1 311.429 3.343 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1nccs1 ZINC000159480529 197356781 /nfs/dbraw/zinc/35/67/81/197356781.db2.gz LYXOZGDINRPBEX-DTWKUNHWSA-N 1 1 311.357 3.099 20 70 DGIDMO CCc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000159514394 400729884 /nfs/dbraw/zinc/72/98/84/400729884.db2.gz DOKJMLONLHGYJG-NVXWUHKLSA-N 1 1 302.462 3.201 20 70 DGIDMO CCc1ccc([C@@H](C)CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000159495170 400730049 /nfs/dbraw/zinc/73/00/49/400730049.db2.gz CWAUEFQNWPPWPZ-KXBFYZLASA-N 1 1 314.473 3.343 20 70 DGIDMO CC[C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C)cc1 ZINC000159490634 400730322 /nfs/dbraw/zinc/73/03/22/400730322.db2.gz YGJYLGOMRZKIPQ-MJGOQNOKSA-N 1 1 314.473 3.479 20 70 DGIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC000159764586 400731439 /nfs/dbraw/zinc/73/14/39/400731439.db2.gz OOZRUWXISGDPAW-VQANOXKBSA-N 1 1 300.446 3.471 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000217372693 165378309 /nfs/dbraw/zinc/37/83/09/165378309.db2.gz XHBXOQVHZGFKAV-LBPRGKRZSA-N 1 1 314.857 3.177 20 70 DGIDMO CC[C@H](C)N(C)CC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000217372693 165378312 /nfs/dbraw/zinc/37/83/12/165378312.db2.gz XHBXOQVHZGFKAV-LBPRGKRZSA-N 1 1 314.857 3.177 20 70 DGIDMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCc4sccc43)CC[C@@H]21 ZINC000159380516 277067047 /nfs/dbraw/zinc/06/70/47/277067047.db2.gz IWLPYLBWULAGQS-BMFZPTHFSA-N 1 1 318.486 3.111 20 70 DGIDMO COC(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)OC ZINC000160343681 277179014 /nfs/dbraw/zinc/17/90/14/277179014.db2.gz DWPIMWNMXBTQRS-OAHLLOKOSA-N 1 1 309.456 3.376 20 70 DGIDMO C[C@H]1SCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000159751618 432695478 /nfs/dbraw/zinc/69/54/78/432695478.db2.gz UIPQTHQTEFNOME-UONOGXRCSA-N 1 1 312.523 3.097 20 70 DGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000160068742 432704169 /nfs/dbraw/zinc/70/41/69/432704169.db2.gz WQWHFUIPJFVGNE-GJZGRUSLSA-N 1 1 308.466 3.393 20 70 DGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000160068742 432704174 /nfs/dbraw/zinc/70/41/74/432704174.db2.gz WQWHFUIPJFVGNE-GJZGRUSLSA-N 1 1 308.466 3.393 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C(C)C)C(C)C)n1 ZINC000160100270 432707159 /nfs/dbraw/zinc/70/71/59/432707159.db2.gz GVBVUOXJNGVPTG-QGZVFWFLSA-N 1 1 303.450 3.172 20 70 DGIDMO C[N@@H+](CCc1cccc(OC(F)(F)F)c1)C[C@@H]1CCCOC1 ZINC000160098234 432707421 /nfs/dbraw/zinc/70/74/21/432707421.db2.gz BSXLNSNHMPMNBR-AWEZNQCLSA-N 1 1 317.351 3.486 20 70 DGIDMO Clc1ccc2c(c1)[nH+]ccc2N1CCC(n2ccnn2)CC1 ZINC000160199524 432709499 /nfs/dbraw/zinc/70/94/99/432709499.db2.gz JJJXPPVDDVWYBA-UHFFFAOYSA-N 1 1 313.792 3.321 20 70 DGIDMO Cc1nc2ccccn2c1C[N@H+](C)CCN(C)c1ccccc1 ZINC000160244119 432712163 /nfs/dbraw/zinc/71/21/63/432712163.db2.gz KVXZFLYOGJNDTR-UHFFFAOYSA-N 1 1 308.429 3.211 20 70 DGIDMO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2)ccc1-n1cncn1 ZINC000160457217 432721349 /nfs/dbraw/zinc/72/13/49/432721349.db2.gz JCGULPFIFPVHPY-UHFFFAOYSA-N 1 1 310.376 3.347 20 70 DGIDMO C[C@@H]1C[C@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519251 432724614 /nfs/dbraw/zinc/72/46/14/432724614.db2.gz NGRDUHNHEUSORH-SJLPKXTDSA-N 1 1 316.493 3.034 20 70 DGIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000159543893 432687173 /nfs/dbraw/zinc/68/71/73/432687173.db2.gz AQDGZCYXCRJLGY-GOEBONIOSA-N 1 1 316.445 3.094 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000160886342 432746905 /nfs/dbraw/zinc/74/69/05/432746905.db2.gz QFMYLLVDBDQXKB-UHFFFAOYSA-N 1 1 319.470 3.485 20 70 DGIDMO C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc21 ZINC000160903509 432749522 /nfs/dbraw/zinc/74/95/22/432749522.db2.gz FJBNGPJLTNGQLV-LSDHHAIUSA-N 1 1 313.445 3.337 20 70 DGIDMO CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)C(C)C ZINC000161066594 432757851 /nfs/dbraw/zinc/75/78/51/432757851.db2.gz LOJZYOVYPGJNLS-RDJZCZTQSA-N 1 1 320.477 3.486 20 70 DGIDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061353 432757897 /nfs/dbraw/zinc/75/78/97/432757897.db2.gz HUCZCFKYDKOYAI-OIISXLGYSA-N 1 1 318.461 3.371 20 70 DGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061581 432758181 /nfs/dbraw/zinc/75/81/81/432758181.db2.gz HUCZCFKYDKOYAI-PVAVHDDUSA-N 1 1 318.461 3.371 20 70 DGIDMO Cc1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)no1 ZINC000161236910 432767999 /nfs/dbraw/zinc/76/79/99/432767999.db2.gz SLMNIHYPDPJDKS-UHFFFAOYSA-N 1 1 310.401 3.438 20 70 DGIDMO Cc1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)no1 ZINC000161236910 432768005 /nfs/dbraw/zinc/76/80/05/432768005.db2.gz SLMNIHYPDPJDKS-UHFFFAOYSA-N 1 1 310.401 3.438 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncnc3sccc32)C1 ZINC000161310771 432772747 /nfs/dbraw/zinc/77/27/47/432772747.db2.gz ZOVCILMFJHPGES-ZDUSSCGKSA-N 1 1 304.463 3.471 20 70 DGIDMO CCCC[N@@H+](CC1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160794698 432741916 /nfs/dbraw/zinc/74/19/16/432741916.db2.gz DQMGVFHWJSEBFF-GPANFISMSA-N 1 1 301.496 3.102 20 70 DGIDMO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1OCCC(C)C ZINC000161508665 432783247 /nfs/dbraw/zinc/78/32/47/432783247.db2.gz QMWARRFHQPGJQJ-AWEZNQCLSA-N 1 1 308.447 3.021 20 70 DGIDMO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000161502579 432783689 /nfs/dbraw/zinc/78/36/89/432783689.db2.gz XGBBYQAEBRXFHP-APWZRJJASA-N 1 1 323.440 3.149 20 70 DGIDMO NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC2(CCCCC2)CC1 ZINC000216632487 295142241 /nfs/dbraw/zinc/14/22/41/295142241.db2.gz FHSWHBSIHTUQDN-INIZCTEOSA-N 1 1 304.409 3.398 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C(C)C)C3CC3)c2c1 ZINC000160577403 534247852 /nfs/dbraw/zinc/24/78/52/534247852.db2.gz AHAUTZLXODGRGP-UHFFFAOYSA-N 1 1 314.385 3.010 20 70 DGIDMO Cc1ccsc1CCCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000159462517 534462189 /nfs/dbraw/zinc/46/21/89/534462189.db2.gz QONYHGSBYZVEFC-AWEZNQCLSA-N 1 1 320.458 3.391 20 70 DGIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)[nH]1 ZINC000160481654 522352800 /nfs/dbraw/zinc/35/28/00/522352800.db2.gz RWNKJWSNYKMNCD-CYBMUJFWSA-N 1 1 307.401 3.280 20 70 DGIDMO CCC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000160803474 528476461 /nfs/dbraw/zinc/47/64/61/528476461.db2.gz WFCVSTBSMFHNHW-MJBXVCDLSA-N 1 1 302.418 3.479 20 70 DGIDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000159773579 546056160 /nfs/dbraw/zinc/05/61/60/546056160.db2.gz SUBCYZZQTDDDEI-SJLPKXTDSA-N 1 1 317.477 3.346 20 70 DGIDMO CCCN1CCC([NH2+]C[C@H](C)COCc2ccccc2)CC1 ZINC000161293666 546067035 /nfs/dbraw/zinc/06/70/35/546067035.db2.gz IKVVJVLFEBIQOY-KRWDZBQOSA-N 1 1 304.478 3.303 20 70 DGIDMO C[C@@H](c1ccccc1Cl)[N@H+](C)CCCCS(C)(=O)=O ZINC000161505482 546070197 /nfs/dbraw/zinc/07/01/97/546070197.db2.gz TZJZUOZQCFZZRW-LBPRGKRZSA-N 1 1 303.855 3.158 20 70 DGIDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCCS(C)(=O)=O ZINC000161505482 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CC(C)(C)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000159850727 518735341 /nfs/dbraw/zinc/73/53/41/518735341.db2.gz BCSBWRBJDSZJKC-LBPRGKRZSA-N 1 1 302.340 3.184 20 70 DGIDMO Cc1ncc([C@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c(C)n1 ZINC000160401440 527308844 /nfs/dbraw/zinc/30/88/44/527308844.db2.gz PVUKMBVGMNEKLP-SCLBCKFNSA-N 1 1 304.482 3.255 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1 ZINC000159816475 529023701 /nfs/dbraw/zinc/02/37/01/529023701.db2.gz UOHIZKNXPPCCQI-UHFFFAOYSA-N 1 1 317.477 3.010 20 70 DGIDMO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000161509988 546070648 /nfs/dbraw/zinc/07/06/48/546070648.db2.gz TXLHNHCMROOFFM-OAHLLOKOSA-N 1 1 315.866 3.302 20 70 DGIDMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000161509988 546070654 /nfs/dbraw/zinc/07/06/54/546070654.db2.gz TXLHNHCMROOFFM-OAHLLOKOSA-N 1 1 315.866 3.302 20 70 DGIDMO Cc1ncc([C@H](C)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000160862589 282165538 /nfs/dbraw/zinc/16/55/38/282165538.db2.gz 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COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159710167 432694288 /nfs/dbraw/zinc/69/42/88/432694288.db2.gz DWLUJUIUBMVRMI-YOEHRIQHSA-N 1 1 302.418 3.288 20 70 DGIDMO COC(=O)c1coc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159793411 432696297 /nfs/dbraw/zinc/69/62/97/432696297.db2.gz OWFXIULXYXGXTO-MRXNPFEDSA-N 1 1 300.358 3.107 20 70 DGIDMO COC(=O)c1coc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159793411 432696302 /nfs/dbraw/zinc/69/63/02/432696302.db2.gz OWFXIULXYXGXTO-MRXNPFEDSA-N 1 1 300.358 3.107 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000159823673 432697751 /nfs/dbraw/zinc/69/77/51/432697751.db2.gz ZVXANGBDIZMOSQ-UHFFFAOYSA-N 1 1 311.429 3.077 20 70 DGIDMO COc1ccc(C[N@@H+](C)Cc2cccc3c2OCCCO3)cc1 ZINC000159848629 432698874 /nfs/dbraw/zinc/69/88/74/432698874.db2.gz ORARPVZPHAPZEO-UHFFFAOYSA-N 1 1 313.397 3.489 20 70 DGIDMO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159889445 432698937 /nfs/dbraw/zinc/69/89/37/432698937.db2.gz 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432711828 /nfs/dbraw/zinc/71/18/28/432711828.db2.gz SNNMSHZQPFQOLC-INIZCTEOSA-N 1 1 303.450 3.079 20 70 DGIDMO CC(C)[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CCCC1 ZINC000160322969 432713653 /nfs/dbraw/zinc/71/36/53/432713653.db2.gz BHUGDHNMEPWLJL-UHFFFAOYSA-N 1 1 320.481 3.309 20 70 DGIDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000160330041 432714988 /nfs/dbraw/zinc/71/49/88/432714988.db2.gz UGRAJAQZMAAGKC-GOSISDBHSA-N 1 1 310.397 3.116 20 70 DGIDMO CCCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160342878 432715128 /nfs/dbraw/zinc/71/51/28/432715128.db2.gz MUHORULTGZTZNP-WBVHZDCISA-N 1 1 303.450 3.091 20 70 DGIDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000160329522 432715708 /nfs/dbraw/zinc/71/57/08/432715708.db2.gz XOYDGUPEOXSKOA-BBRMVZONSA-N 1 1 308.853 3.119 20 70 DGIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000160329369 432716041 /nfs/dbraw/zinc/71/60/41/432716041.db2.gz XOYDGUPEOXSKOA-XJKSGUPXSA-N 1 1 308.853 3.119 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCc1cccs1 ZINC000160451379 432721332 /nfs/dbraw/zinc/72/13/32/432721332.db2.gz NNSILZSCKFQSTA-OAHLLOKOSA-N 1 1 308.491 3.307 20 70 DGIDMO COCC[N@H+](C)CCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000159411143 432682178 /nfs/dbraw/zinc/68/21/78/432682178.db2.gz NLQKJWAMNIGSTE-AWEZNQCLSA-N 1 1 319.474 3.039 20 70 DGIDMO COCC[N@@H+](C)CCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000159411143 432682183 /nfs/dbraw/zinc/68/21/83/432682183.db2.gz NLQKJWAMNIGSTE-AWEZNQCLSA-N 1 1 319.474 3.039 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccc(F)c1F ZINC000159499646 432685056 /nfs/dbraw/zinc/68/50/56/432685056.db2.gz HWIVZZODSZMOPA-OLZOCXBDSA-N 1 1 310.388 3.407 20 70 DGIDMO CC[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000159509995 432685810 /nfs/dbraw/zinc/68/58/10/432685810.db2.gz OUIHZBIOBNZLIE-IAGOWNOFSA-N 1 1 302.462 3.337 20 70 DGIDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000159689616 432691939 /nfs/dbraw/zinc/69/19/39/432691939.db2.gz 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432755039 /nfs/dbraw/zinc/75/50/39/432755039.db2.gz RBJCQXOWDBOEBO-HOTGVXAUSA-N 1 1 306.498 3.454 20 70 DGIDMO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000161019346 432755042 /nfs/dbraw/zinc/75/50/42/432755042.db2.gz RBJCQXOWDBOEBO-HOTGVXAUSA-N 1 1 306.498 3.454 20 70 DGIDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161032725 432755677 /nfs/dbraw/zinc/75/56/77/432755677.db2.gz NYTHKDYOCUFWSV-RDJZCZTQSA-N 1 1 303.450 3.083 20 70 DGIDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161032725 432755682 /nfs/dbraw/zinc/75/56/82/432755682.db2.gz NYTHKDYOCUFWSV-RDJZCZTQSA-N 1 1 303.450 3.083 20 70 DGIDMO COc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000161436316 432779208 /nfs/dbraw/zinc/77/92/08/432779208.db2.gz FHPINSBBXNEEND-ZFWWWQNUSA-N 1 1 313.850 3.055 20 70 DGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000160544047 432726833 /nfs/dbraw/zinc/72/68/33/432726833.db2.gz CIRVDERNFCOOPC-KBPBESRZSA-N 1 1 322.449 3.399 20 70 DGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000160529361 432727255 /nfs/dbraw/zinc/72/72/55/432727255.db2.gz OSLRNKFYMRWVRJ-KGLIPLIRSA-N 1 1 319.449 3.340 20 70 DGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000160563666 432728412 /nfs/dbraw/zinc/72/84/12/432728412.db2.gz BWDGWOJCZWHUJG-YQQAZPJKSA-N 1 1 318.461 3.383 20 70 DGIDMO Cn1cc(C[N@H+](C)Cc2ccccc2F)c(-c2cccnc2)n1 ZINC000160726887 432737499 /nfs/dbraw/zinc/73/74/99/432737499.db2.gz DENWSJNHSADKON-UHFFFAOYSA-N 1 1 310.376 3.253 20 70 DGIDMO Cn1cc(C[N@@H+](C)Cc2ccccc2F)c(-c2cccnc2)n1 ZINC000160726887 432737500 /nfs/dbraw/zinc/73/75/00/432737500.db2.gz DENWSJNHSADKON-UHFFFAOYSA-N 1 1 310.376 3.253 20 70 DGIDMO COCCOc1ccccc1C[N@H+](C)Cc1ccccc1F ZINC000160730046 432737595 /nfs/dbraw/zinc/73/75/95/432737595.db2.gz KUUAJXOWJZYMNX-UHFFFAOYSA-N 1 1 303.377 3.483 20 70 DGIDMO COCCOc1ccccc1C[N@@H+](C)Cc1ccccc1F ZINC000160730046 432737597 /nfs/dbraw/zinc/73/75/97/432737597.db2.gz 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CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1COc2ccccc2O1 ZINC000217391261 165378395 /nfs/dbraw/zinc/37/83/95/165378395.db2.gz CHQGRJDRMDWICJ-KRWDZBQOSA-N 1 1 313.397 3.357 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000159745996 276161900 /nfs/dbraw/zinc/16/19/00/276161900.db2.gz SDHXMRXYWKNYHG-MRXNPFEDSA-N 1 1 321.852 3.065 20 70 DGIDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159828833 432697974 /nfs/dbraw/zinc/69/79/74/432697974.db2.gz RLFQSGMWMFZDKL-UHFFFAOYSA-N 1 1 312.413 3.171 20 70 DGIDMO CN(C)c1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2)c1 ZINC000159806655 432698193 /nfs/dbraw/zinc/69/81/93/432698193.db2.gz TVWIKJWWCMESLA-UHFFFAOYSA-N 1 1 311.429 3.213 20 70 DGIDMO CCC[N@@H+](CC)CCNC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000159911628 432701168 /nfs/dbraw/zinc/70/11/68/432701168.db2.gz QBXFFUYLNPUDSR-ZDUSSCGKSA-N 1 1 312.404 3.307 20 70 DGIDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159937367 432701736 /nfs/dbraw/zinc/70/17/36/432701736.db2.gz 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ZINC000160142967 432708221 /nfs/dbraw/zinc/70/82/21/432708221.db2.gz ARTWCQGVMLKLEH-FUHWJXTLSA-N 1 1 317.477 3.420 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)n1 ZINC000160142967 432708224 /nfs/dbraw/zinc/70/82/24/432708224.db2.gz ARTWCQGVMLKLEH-FUHWJXTLSA-N 1 1 317.477 3.420 20 70 DGIDMO CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160130942 432708883 /nfs/dbraw/zinc/70/88/83/432708883.db2.gz KLKPUKBGLLUSPG-SFHVURJKSA-N 1 1 309.413 3.087 20 70 DGIDMO Brc1ccc(C[NH2+]Cc2cc[nH]n2)c2ncccc12 ZINC000160317097 432714385 /nfs/dbraw/zinc/71/43/85/432714385.db2.gz JXIKLQRXDMXWHQ-UHFFFAOYSA-N 1 1 317.190 3.010 20 70 DGIDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000160332631 432715267 /nfs/dbraw/zinc/71/52/67/432715267.db2.gz HIKCXSCZUIUEMJ-NSHDSACASA-N 1 1 315.244 3.471 20 70 DGIDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000160332631 432715269 /nfs/dbraw/zinc/71/52/69/432715269.db2.gz HIKCXSCZUIUEMJ-NSHDSACASA-N 1 1 315.244 3.471 20 70 DGIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000160329671 432715611 /nfs/dbraw/zinc/71/56/11/432715611.db2.gz HSQNYKNOJCYQCD-XJKSGUPXSA-N 1 1 308.853 3.119 20 70 DGIDMO C[N@H+](CC(=O)N[C@@H]1CCCc2sccc21)Cc1ccccc1 ZINC000160377318 432717971 /nfs/dbraw/zinc/71/79/71/432717971.db2.gz AKVQSSOXIGGNDP-MRXNPFEDSA-N 1 1 314.454 3.374 20 70 DGIDMO C[N@@H+](CC(=O)N[C@@H]1CCCc2sccc21)Cc1ccccc1 ZINC000160377318 432717974 /nfs/dbraw/zinc/71/79/74/432717974.db2.gz AKVQSSOXIGGNDP-MRXNPFEDSA-N 1 1 314.454 3.374 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000160548201 432726630 /nfs/dbraw/zinc/72/66/30/432726630.db2.gz YTZYKLKMKOHYRD-CYBMUJFWSA-N 1 1 301.477 3.098 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000160548201 432726634 /nfs/dbraw/zinc/72/66/34/432726634.db2.gz YTZYKLKMKOHYRD-CYBMUJFWSA-N 1 1 301.477 3.098 20 70 DGIDMO C[N@@H+](CCCNC(=O)N1CCC2(CCC2)C1)Cc1ccccc1 ZINC000159368617 432681957 /nfs/dbraw/zinc/68/19/57/432681957.db2.gz GETSFLKBZUDFJW-UHFFFAOYSA-N 1 1 315.461 3.094 20 70 DGIDMO CCOC[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159678006 432691374 /nfs/dbraw/zinc/69/13/74/432691374.db2.gz YNNNKPIRRKQUBC-KRWDZBQOSA-N 1 1 324.509 3.020 20 70 DGIDMO CCc1cc(=O)[nH]c(C[N@@H+](CC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000160893651 432747185 /nfs/dbraw/zinc/74/71/85/432747185.db2.gz YYDRCDXHCVMSGU-LBPRGKRZSA-N 1 1 303.381 3.467 20 70 DGIDMO CCc1cc(=O)[nH]c(C[N@H+](CC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000160893651 432747189 /nfs/dbraw/zinc/74/71/89/432747189.db2.gz YYDRCDXHCVMSGU-LBPRGKRZSA-N 1 1 303.381 3.467 20 70 DGIDMO Cc1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)o1 ZINC000160870195 432747976 /nfs/dbraw/zinc/74/79/76/432747976.db2.gz LTYBPBGPAHNYEA-UHFFFAOYSA-N 1 1 300.402 3.057 20 70 DGIDMO Cc1cnc(CC[N@H+](C)CCN(C)Cc2ccc(F)cc2)s1 ZINC000161026307 432754601 /nfs/dbraw/zinc/75/46/01/432754601.db2.gz NXVWJRDOVYVLDU-UHFFFAOYSA-N 1 1 321.465 3.197 20 70 DGIDMO Cc1cnc(CCN(C)CC[N@H+](C)Cc2ccc(F)cc2)s1 ZINC000161026307 432754603 /nfs/dbraw/zinc/75/46/03/432754603.db2.gz NXVWJRDOVYVLDU-UHFFFAOYSA-N 1 1 321.465 3.197 20 70 DGIDMO Cc1cnc(CCN(C)CC[N@@H+](C)Cc2ccc(F)cc2)s1 ZINC000161026307 432754608 /nfs/dbraw/zinc/75/46/08/432754608.db2.gz NXVWJRDOVYVLDU-UHFFFAOYSA-N 1 1 321.465 3.197 20 70 DGIDMO C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1c(F)cccc1F ZINC000161056855 432755624 /nfs/dbraw/zinc/75/56/24/432755624.db2.gz IMSQFHNOWGIKOD-RISCZKNCSA-N 1 1 322.355 3.080 20 70 DGIDMO C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)c1c(F)cccc1F ZINC000161057109 432756190 /nfs/dbraw/zinc/75/61/90/432756190.db2.gz IMSQFHNOWGIKOD-BXUZGUMPSA-N 1 1 322.355 3.080 20 70 DGIDMO CC[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161060702 432756573 /nfs/dbraw/zinc/75/65/73/432756573.db2.gz MFZNLNMJOTWNFC-GOSISDBHSA-N 1 1 309.413 3.099 20 70 DGIDMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161060702 432756578 /nfs/dbraw/zinc/75/65/78/432756578.db2.gz MFZNLNMJOTWNFC-GOSISDBHSA-N 1 1 309.413 3.099 20 70 DGIDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CSCCc3ccccc32)C1 ZINC000161109898 432759522 /nfs/dbraw/zinc/75/95/22/432759522.db2.gz INWKGLKYEJQAIM-LZLYRXPVSA-N 1 1 304.503 3.479 20 70 DGIDMO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113797 432760308 /nfs/dbraw/zinc/76/03/08/432760308.db2.gz LVABHGHAQYLMMX-BPUTZDHNSA-N 1 1 306.450 3.227 20 70 DGIDMO COc1cc(OC)c([C@H](C)[NH2+]C2CCN(C)CC2)cc1Cl ZINC000161509628 432782531 /nfs/dbraw/zinc/78/25/31/432782531.db2.gz PZAOLFLIRQGPGK-NSHDSACASA-N 1 1 312.841 3.102 20 70 DGIDMO CCCOc1c(Cl)cc(C[N@@H+](CCC)CCO)cc1OC ZINC000161206584 432766899 /nfs/dbraw/zinc/76/68/99/432766899.db2.gz DIGQKZLWUTWVCS-UHFFFAOYSA-N 1 1 315.841 3.342 20 70 DGIDMO CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000161399577 432775788 /nfs/dbraw/zinc/77/57/88/432775788.db2.gz RWCVEMKTBXAMAX-GFCCVEGCSA-N 1 1 305.447 3.223 20 70 DGIDMO CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000161399577 432775791 /nfs/dbraw/zinc/77/57/91/432775791.db2.gz RWCVEMKTBXAMAX-GFCCVEGCSA-N 1 1 305.447 3.223 20 70 DGIDMO COC(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)OC ZINC000161459782 432779185 /nfs/dbraw/zinc/77/91/85/432779185.db2.gz CBLUSKKTBSCTOM-KGLIPLIRSA-N 1 1 313.463 3.035 20 70 DGIDMO c1nc2ccccn2c1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000161438919 432779723 /nfs/dbraw/zinc/77/97/23/432779723.db2.gz PDJXGUOTKUPSOI-SFHVURJKSA-N 1 1 321.424 3.168 20 70 DGIDMO CC[C@H](C)c1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)on1 ZINC000160637016 432732557 /nfs/dbraw/zinc/73/25/57/432732557.db2.gz HDFMFHHCORYMDM-GJZGRUSLSA-N 1 1 321.465 3.430 20 70 DGIDMO C[N@@H+](CCNC(=O)/C=C/c1ccc(Cl)nc1)C1CCCCC1 ZINC000160657143 432734477 /nfs/dbraw/zinc/73/44/77/432734477.db2.gz FBWPTHUYSLBLLG-CSKARUKUSA-N 1 1 321.852 3.129 20 70 DGIDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccoc1 ZINC000160743314 432738648 /nfs/dbraw/zinc/73/86/48/432738648.db2.gz VIWVCBZOYAHMMQ-NHYWBVRUSA-N 1 1 304.777 3.389 20 70 DGIDMO CCCCc1noc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160773119 432740597 /nfs/dbraw/zinc/74/05/97/432740597.db2.gz KJFXHHVNPFUGSB-JJRVBVJISA-N 1 1 307.438 3.100 20 70 DGIDMO CCCCc1noc([C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160773119 432740602 /nfs/dbraw/zinc/74/06/02/432740602.db2.gz KJFXHHVNPFUGSB-JJRVBVJISA-N 1 1 307.438 3.100 20 70 DGIDMO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1F ZINC000159517182 292794479 /nfs/dbraw/zinc/79/44/79/292794479.db2.gz NFACLFWIVPPEFT-WBMJQRKESA-N 1 1 316.351 3.421 20 70 DGIDMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161047788 529313748 /nfs/dbraw/zinc/31/37/48/529313748.db2.gz UNEVNQQNXVQGQR-GFCCVEGCSA-N 1 1 316.401 3.115 20 70 DGIDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160735950 546062042 /nfs/dbraw/zinc/06/20/42/546062042.db2.gz VKCFWBPQQLPPSU-HZMBPMFUSA-N 1 1 303.324 3.349 20 70 DGIDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1OC ZINC000161320386 546068082 /nfs/dbraw/zinc/06/80/82/546068082.db2.gz KLJBXGJVYQOPKZ-GFCCVEGCSA-N 1 1 304.365 3.397 20 70 DGIDMO CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](C)c2cc3ccccc3o2)C1 ZINC000216695946 546262667 /nfs/dbraw/zinc/26/26/67/546262667.db2.gz GHBWUIHQWAKJPH-RDJZCZTQSA-N 1 1 316.445 3.440 20 70 DGIDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](C)c2cc3ccccc3o2)C1 ZINC000216695946 546262670 /nfs/dbraw/zinc/26/26/70/546262670.db2.gz GHBWUIHQWAKJPH-RDJZCZTQSA-N 1 1 316.445 3.440 20 70 DGIDMO C[N@H+]1CCN(CCOc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000216733768 546263005 /nfs/dbraw/zinc/26/30/05/546263005.db2.gz QMQGQXLOLAYJDZ-GOSISDBHSA-N 1 1 314.404 3.193 20 70 DGIDMO CN1CCN(CCOc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000216733768 546263010 /nfs/dbraw/zinc/26/30/10/546263010.db2.gz QMQGQXLOLAYJDZ-GOSISDBHSA-N 1 1 314.404 3.193 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000159552405 186126903 /nfs/dbraw/zinc/12/69/03/186126903.db2.gz MEAPGHDGGSNAEQ-AWEZNQCLSA-N 1 1 315.417 3.231 20 70 DGIDMO C[C@H](O)C[N@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000159552984 186126979 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Cc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000159514271 197359374 /nfs/dbraw/zinc/35/93/74/197359374.db2.gz REQJYQZNKKSPQH-UHFFFAOYSA-N 1 1 315.804 3.006 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000159853754 285210953 /nfs/dbraw/zinc/21/09/53/285210953.db2.gz LXFXPEAEERDOHF-GOSISDBHSA-N 1 1 317.477 3.429 20 70 DGIDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccoc1 ZINC000160698993 292820331 /nfs/dbraw/zinc/82/03/31/292820331.db2.gz QEDGVEKHXAQWPG-BXUZGUMPSA-N 1 1 304.777 3.389 20 70 DGIDMO CC(C)CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000160801141 400735946 /nfs/dbraw/zinc/73/59/46/400735946.db2.gz ZLBQNAZNVUHOHC-OAHLLOKOSA-N 1 1 307.482 3.223 20 70 DGIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(C)cc(F)c1 ZINC000160596682 228246886 /nfs/dbraw/zinc/24/68/86/228246886.db2.gz IFFOERQHJCPZHT-UHFFFAOYSA-N 1 1 304.369 3.193 20 70 DGIDMO Cc1ccc(CCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000217225104 432654149 /nfs/dbraw/zinc/65/41/49/432654149.db2.gz WHYXDYDIKHQIMN-KRWDZBQOSA-N 1 1 317.477 3.101 20 70 DGIDMO Brc1cccc([C@H]2CC[N@@H+](C[C@@H]3CCCO3)C2)c1 ZINC000217267656 432654640 /nfs/dbraw/zinc/65/46/40/432654640.db2.gz ORWFMBXJHDKMEV-ZFWWWQNUSA-N 1 1 310.235 3.417 20 70 DGIDMO OCC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159741401 432694131 /nfs/dbraw/zinc/69/41/31/432694131.db2.gz BAMNVNKVZMWNCJ-ZDUSSCGKSA-N 1 1 303.324 3.322 20 70 DGIDMO CC(C)c1ncc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)s1 ZINC000159785243 432696195 /nfs/dbraw/zinc/69/61/95/432696195.db2.gz OUHAJAAXZFQMPY-QWHCGFSZSA-N 1 1 309.479 3.117 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2)n1 ZINC000159826228 432698351 /nfs/dbraw/zinc/69/83/51/432698351.db2.gz IQRFUNOOANRJSF-IBGZPJMESA-N 1 1 323.440 3.186 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2)n1 ZINC000159826228 432698352 /nfs/dbraw/zinc/69/83/52/432698352.db2.gz IQRFUNOOANRJSF-IBGZPJMESA-N 1 1 323.440 3.186 20 70 DGIDMO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C ZINC000159873860 432699302 /nfs/dbraw/zinc/69/93/02/432699302.db2.gz DRGSRRMIIWGNLL-WMZOPIPTSA-N 1 1 303.446 3.407 20 70 DGIDMO CSCCCCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000159935710 432700916 /nfs/dbraw/zinc/70/09/16/432700916.db2.gz DZKOPIGNRCCCTK-OAHLLOKOSA-N 1 1 300.512 3.291 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2C)n1 ZINC000160104290 432706733 /nfs/dbraw/zinc/70/67/33/432706733.db2.gz YVBBDPOFJLWANI-LJQANCHMSA-N 1 1 323.440 3.152 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccc2C)n1 ZINC000160104290 432706738 /nfs/dbraw/zinc/70/67/38/432706738.db2.gz YVBBDPOFJLWANI-LJQANCHMSA-N 1 1 323.440 3.152 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)n1 ZINC000160142825 432708567 /nfs/dbraw/zinc/70/85/67/432708567.db2.gz ARTWCQGVMLKLEH-WMZOPIPTSA-N 1 1 317.477 3.420 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)n1 ZINC000160142825 432708571 /nfs/dbraw/zinc/70/85/71/432708571.db2.gz ARTWCQGVMLKLEH-WMZOPIPTSA-N 1 1 317.477 3.420 20 70 DGIDMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160161813 432709011 /nfs/dbraw/zinc/70/90/11/432709011.db2.gz JQCLHKKNJZHXBL-GOSISDBHSA-N 1 1 309.413 3.087 20 70 DGIDMO CC(C)CO[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160170900 432710820 /nfs/dbraw/zinc/71/08/20/432710820.db2.gz VKCPSTZWNFMCPS-KRWDZBQOSA-N 1 1 324.509 3.018 20 70 DGIDMO CCCCN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160342619 432716154 /nfs/dbraw/zinc/71/61/54/432716154.db2.gz MUHORULTGZTZNP-RDJZCZTQSA-N 1 1 303.450 3.091 20 70 DGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000160543958 432726594 /nfs/dbraw/zinc/72/65/94/432726594.db2.gz CIRVDERNFCOOPC-KGLIPLIRSA-N 1 1 322.449 3.399 20 70 DGIDMO COCC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000160454897 432721569 /nfs/dbraw/zinc/72/15/69/432721569.db2.gz USMASSYTFURDFC-UHFFFAOYSA-N 1 1 301.434 3.287 20 70 DGIDMO COCC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000160454897 432721575 /nfs/dbraw/zinc/72/15/75/432721575.db2.gz USMASSYTFURDFC-UHFFFAOYSA-N 1 1 301.434 3.287 20 70 DGIDMO COCCOc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000160470256 432723653 /nfs/dbraw/zinc/72/36/53/432723653.db2.gz AEXRISUARVNCDI-UHFFFAOYSA-N 1 1 303.377 3.483 20 70 DGIDMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1F ZINC000159517037 432687399 /nfs/dbraw/zinc/68/73/99/432687399.db2.gz NFACLFWIVPPEFT-LRDDRELGSA-N 1 1 316.351 3.421 20 70 DGIDMO C[N@@H+](Cc1csc(Nc2ccccc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159651962 432689681 /nfs/dbraw/zinc/68/96/81/432689681.db2.gz FWXAMLUTGSCANI-BBRMVZONSA-N 1 1 317.458 3.480 20 70 DGIDMO C[N@H+](Cc1csc(Nc2ccccc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159651962 432689686 /nfs/dbraw/zinc/68/96/86/432689686.db2.gz FWXAMLUTGSCANI-BBRMVZONSA-N 1 1 317.458 3.480 20 70 DGIDMO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000160885559 432747148 /nfs/dbraw/zinc/74/71/48/432747148.db2.gz FWVSOJKNDNVPFW-SJLPKXTDSA-N 1 1 311.429 3.347 20 70 DGIDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1F ZINC000160997114 432752609 /nfs/dbraw/zinc/75/26/09/432752609.db2.gz UDTGERQTCSBEJG-YGRLFVJLSA-N 1 1 323.343 3.329 20 70 DGIDMO CC[N@H+](Cc1ccccn1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000161060813 432755605 /nfs/dbraw/zinc/75/56/05/432755605.db2.gz MFZNLNMJOTWNFC-SFHVURJKSA-N 1 1 309.413 3.099 20 70 DGIDMO CC[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000161060813 432755610 /nfs/dbraw/zinc/75/56/10/432755610.db2.gz MFZNLNMJOTWNFC-SFHVURJKSA-N 1 1 309.413 3.099 20 70 DGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093893 432760034 /nfs/dbraw/zinc/76/00/34/432760034.db2.gz HLJYAVGRNYXAST-IEZWGBDMSA-N 1 1 312.461 3.396 20 70 DGIDMO COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000161111105 432760373 /nfs/dbraw/zinc/76/03/73/432760373.db2.gz ACTMKCZWHOEHRL-RAFMOHDBSA-N 1 1 314.473 3.197 20 70 DGIDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000161121526 432761825 /nfs/dbraw/zinc/76/18/25/432761825.db2.gz LFXBTVNRCILJDX-OAHLLOKOSA-N 1 1 303.450 3.083 20 70 DGIDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000161121526 432761828 /nfs/dbraw/zinc/76/18/28/432761828.db2.gz LFXBTVNRCILJDX-OAHLLOKOSA-N 1 1 303.450 3.083 20 70 DGIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cc(OC)ccc1OC ZINC000161165518 432762446 /nfs/dbraw/zinc/76/24/46/432762446.db2.gz PSWPXJHHUZLFKD-LSDHHAIUSA-N 1 1 306.450 3.229 20 70 DGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cc(OC)ccc1OC ZINC000161165518 432762448 /nfs/dbraw/zinc/76/24/48/432762448.db2.gz PSWPXJHHUZLFKD-LSDHHAIUSA-N 1 1 306.450 3.229 20 70 DGIDMO c1ccc(COC[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000161279131 432769121 /nfs/dbraw/zinc/76/91/21/432769121.db2.gz JWMSLIYLGMZTFQ-FQEVSTJZSA-N 1 1 316.489 3.401 20 70 DGIDMO c1ccc(COC[C@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000161279131 432769126 /nfs/dbraw/zinc/76/91/26/432769126.db2.gz JWMSLIYLGMZTFQ-FQEVSTJZSA-N 1 1 316.489 3.401 20 70 DGIDMO C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)COCc1ccccc1 ZINC000161298554 432771478 /nfs/dbraw/zinc/77/14/78/432771478.db2.gz VUFQKHVZLZYQLO-VXIBKDFQSA-N 1 1 304.478 3.158 20 70 DGIDMO CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000160594737 432731258 /nfs/dbraw/zinc/73/12/58/432731258.db2.gz UEKZZKIMMBKDLW-HUUCEWRRSA-N 1 1 321.534 3.274 20 70 DGIDMO CCN1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000160594737 432731262 /nfs/dbraw/zinc/73/12/62/432731262.db2.gz UEKZZKIMMBKDLW-HUUCEWRRSA-N 1 1 321.534 3.274 20 70 DGIDMO CC(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000160667493 432733984 /nfs/dbraw/zinc/73/39/84/432733984.db2.gz HECJQJKUDIRNAV-UHFFFAOYSA-N 1 1 313.445 3.472 20 70 DGIDMO CC(C)c1ccc(C[N@@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000160667493 432733990 /nfs/dbraw/zinc/73/39/90/432733990.db2.gz HECJQJKUDIRNAV-UHFFFAOYSA-N 1 1 313.445 3.472 20 70 DGIDMO CCCC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160782750 432740777 /nfs/dbraw/zinc/74/07/77/432740777.db2.gz SEWRAWGLQMNPJS-KRWDZBQOSA-N 1 1 309.475 3.093 20 70 DGIDMO COc1ccc([C@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000160775212 432741401 /nfs/dbraw/zinc/74/14/01/432741401.db2.gz MLMPKYYJDWYVKN-SFHVURJKSA-N 1 1 302.462 3.361 20 70 DGIDMO COc1ccc([C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000160775212 432741403 /nfs/dbraw/zinc/74/14/03/432741403.db2.gz MLMPKYYJDWYVKN-SFHVURJKSA-N 1 1 302.462 3.361 20 70 DGIDMO COc1ccc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000160775212 432741411 /nfs/dbraw/zinc/74/14/11/432741411.db2.gz MLMPKYYJDWYVKN-SFHVURJKSA-N 1 1 302.462 3.361 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000160800292 432742377 /nfs/dbraw/zinc/74/23/77/432742377.db2.gz SWKFMPONZGYMOP-RYRKJORJSA-N 1 1 319.493 3.467 20 70 DGIDMO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000160800292 432742380 /nfs/dbraw/zinc/74/23/80/432742380.db2.gz SWKFMPONZGYMOP-RYRKJORJSA-N 1 1 319.493 3.467 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000160854303 432746021 /nfs/dbraw/zinc/74/60/21/432746021.db2.gz LQXDQYXGWNBWLP-CQSZACIVSA-N 1 1 301.477 3.098 20 70 DGIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000160854303 432746024 /nfs/dbraw/zinc/74/60/24/432746024.db2.gz LQXDQYXGWNBWLP-CQSZACIVSA-N 1 1 301.477 3.098 20 70 DGIDMO Clc1ccc(CSCC[NH+]2CCOCC2)c2ncccc12 ZINC000159950098 292804445 /nfs/dbraw/zinc/80/44/45/292804445.db2.gz HNAKFDBZYLFJQE-UHFFFAOYSA-N 1 1 322.861 3.454 20 70 DGIDMO NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CCCCC2)CC1 ZINC000216632444 295099286 /nfs/dbraw/zinc/09/92/86/295099286.db2.gz FHSWHBSIHTUQDN-MRXNPFEDSA-N 1 1 304.409 3.398 20 70 DGIDMO CCC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000160803393 528476412 /nfs/dbraw/zinc/47/64/12/528476412.db2.gz WFCVSTBSMFHNHW-HZSPNIEDSA-N 1 1 302.418 3.479 20 70 DGIDMO O=C(OC[C@H]1CCCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000216644311 626996466 /nfs/dbraw/zinc/99/64/66/626996466.db2.gz SJIXDRIQFNEPSG-QZTJIDSGSA-N 1 1 317.429 3.011 20 70 DGIDMO CC(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000159663454 186134191 /nfs/dbraw/zinc/13/41/91/186134191.db2.gz NFRHTKKLWGYGBH-UHFFFAOYSA-N 1 1 315.244 3.436 20 70 DGIDMO Cc1nc(NC[C@](C)(O)c2ccccc2Cl)c(C)c(C)[nH+]1 ZINC000160178721 197391840 /nfs/dbraw/zinc/39/18/40/197391840.db2.gz BTHOUVQVYOUMJH-INIZCTEOSA-N 1 1 305.809 3.375 20 70 DGIDMO CCC[N@@H+](C)C[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159986439 197378173 /nfs/dbraw/zinc/37/81/73/197378173.db2.gz UXPXNQSHLFABRA-KRWDZBQOSA-N 1 1 302.462 3.232 20 70 DGIDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000159857895 197368798 /nfs/dbraw/zinc/36/87/98/197368798.db2.gz ACTYUHPVCCQEHT-UHFFFAOYSA-N 1 1 311.429 3.322 20 70 DGIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(F)c1C ZINC000159563619 197361364 /nfs/dbraw/zinc/36/13/64/197361364.db2.gz JGWNBXZZPGQHSX-UHFFFAOYSA-N 1 1 304.369 3.193 20 70 DGIDMO C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC000159443186 197354297 /nfs/dbraw/zinc/35/42/97/197354297.db2.gz INKHMPDDBPGGSS-CFVMTHIKSA-N 1 1 322.399 3.154 20 70 DGIDMO Oc1ccc(C2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000161423940 285384191 /nfs/dbraw/zinc/38/41/91/285384191.db2.gz GNNJKDZHPNGMSK-UHFFFAOYSA-N 1 1 302.462 3.448 20 70 DGIDMO Oc1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000161423940 285384192 /nfs/dbraw/zinc/38/41/92/285384192.db2.gz GNNJKDZHPNGMSK-UHFFFAOYSA-N 1 1 302.462 3.448 20 70 DGIDMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000216741710 165376969 /nfs/dbraw/zinc/37/69/69/165376969.db2.gz AOWGKSCXNSPOII-GOSISDBHSA-N 1 1 314.404 3.323 20 70 DGIDMO CC(C)[C@H](CO)[N@@H+](Cc1cnc2ccccn12)Cc1ccccc1 ZINC000160468190 280261284 /nfs/dbraw/zinc/26/12/84/280261284.db2.gz ZFJVXYJNIFGJOD-IBGZPJMESA-N 1 1 323.440 3.353 20 70 DGIDMO Cc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000218095159 432658147 /nfs/dbraw/zinc/65/81/47/432658147.db2.gz HYQVBHUYGMMPRB-HOTGVXAUSA-N 1 1 323.278 3.474 20 70 DGIDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250582 432659180 /nfs/dbraw/zinc/65/91/80/432659180.db2.gz PAXHXHWUIKPUFO-NEPJUHHUSA-N 1 1 311.451 3.193 20 70 DGIDMO COc1ccc(C[N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)cc1 ZINC000159847850 432697374 /nfs/dbraw/zinc/69/73/74/432697374.db2.gz OMDQBNLUOZITFR-UHFFFAOYSA-N 1 1 315.369 3.065 20 70 DGIDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159902288 432701405 /nfs/dbraw/zinc/70/14/05/432701405.db2.gz ZPHUQKNHKQHJFC-SJLPKXTDSA-N 1 1 315.461 3.318 20 70 DGIDMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159902288 432701407 /nfs/dbraw/zinc/70/14/07/432701407.db2.gz ZPHUQKNHKQHJFC-SJLPKXTDSA-N 1 1 315.461 3.318 20 70 DGIDMO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000159914936 432701937 /nfs/dbraw/zinc/70/19/37/432701937.db2.gz BKKGCLQSNDLCSW-CRAIPNDOSA-N 1 1 315.461 3.091 20 70 DGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000160110747 432707558 /nfs/dbraw/zinc/70/75/58/432707558.db2.gz BQHVHSXCRWUZLM-CVEARBPZSA-N 1 1 317.477 3.194 20 70 DGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000160110747 432707560 /nfs/dbraw/zinc/70/75/60/432707560.db2.gz BQHVHSXCRWUZLM-CVEARBPZSA-N 1 1 317.477 3.194 20 70 DGIDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000160323453 432713601 /nfs/dbraw/zinc/71/36/01/432713601.db2.gz XTWIOZUBCWLGSI-AWEZNQCLSA-N 1 1 304.390 3.004 20 70 DGIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000160323453 432713605 /nfs/dbraw/zinc/71/36/05/432713605.db2.gz XTWIOZUBCWLGSI-AWEZNQCLSA-N 1 1 304.390 3.004 20 70 DGIDMO CCc1nnc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)[nH]1 ZINC000160420494 432718615 /nfs/dbraw/zinc/71/86/15/432718615.db2.gz RWGRMFOHLZVCEV-UHFFFAOYSA-N 1 1 316.449 3.427 20 70 DGIDMO COc1ccccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000160424653 432719505 /nfs/dbraw/zinc/71/95/05/432719505.db2.gz WRIHAYBYXFFWDB-OAQYLSRUSA-N 1 1 303.427 3.065 20 70 DGIDMO COc1ccccc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000160424653 432719510 /nfs/dbraw/zinc/71/95/10/432719510.db2.gz WRIHAYBYXFFWDB-OAQYLSRUSA-N 1 1 303.427 3.065 20 70 DGIDMO CCN(CC1CC1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160404750 432719709 /nfs/dbraw/zinc/71/97/09/432719709.db2.gz XXAUFIUMNAUOLQ-QAPCUYQASA-N 1 1 315.461 3.091 20 70 DGIDMO COCCOc1ccccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160467548 432722979 /nfs/dbraw/zinc/72/29/79/432722979.db2.gz YILSPGXAAQIBTL-UHFFFAOYSA-N 1 1 303.377 3.483 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1cccc(F)c1F ZINC000159419587 432684254 /nfs/dbraw/zinc/68/42/54/432684254.db2.gz YRUACEYSQSLILX-OLZOCXBDSA-N 1 1 310.388 3.262 20 70 DGIDMO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(F)c1F ZINC000159516748 432684930 /nfs/dbraw/zinc/68/49/30/432684930.db2.gz NFACLFWIVPPEFT-BLLLJJGKSA-N 1 1 316.351 3.421 20 70 DGIDMO Cc1cc2cc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)oc2cc1C ZINC000159623691 432690984 /nfs/dbraw/zinc/69/09/84/432690984.db2.gz KCRITACWCYTPNE-UONOGXRCSA-N 1 1 300.402 3.135 20 70 DGIDMO CCc1cc(=O)[nH]c(C[N@@H+](CC)[C@H](C)c2ccc(F)cc2)n1 ZINC000160893752 432747011 /nfs/dbraw/zinc/74/70/11/432747011.db2.gz YYDRCDXHCVMSGU-GFCCVEGCSA-N 1 1 303.381 3.467 20 70 DGIDMO CCc1cc(=O)[nH]c(C[N@H+](CC)[C@H](C)c2ccc(F)cc2)n1 ZINC000160893752 432747014 /nfs/dbraw/zinc/74/70/14/432747014.db2.gz YYDRCDXHCVMSGU-GFCCVEGCSA-N 1 1 303.381 3.467 20 70 DGIDMO C[C@@H](CN[C@@H](C)c1cncc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000160881626 432747205 /nfs/dbraw/zinc/74/72/05/432747205.db2.gz VTJKOIFPDVZBBQ-GJZGRUSLSA-N 1 1 301.409 3.392 20 70 DGIDMO C[C@@H](CN[C@@H](C)c1cncc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000160881626 432747207 /nfs/dbraw/zinc/74/72/07/432747207.db2.gz VTJKOIFPDVZBBQ-GJZGRUSLSA-N 1 1 301.409 3.392 20 70 DGIDMO Cc1ccc(C(=O)CC[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000160938011 432751415 /nfs/dbraw/zinc/75/14/15/432751415.db2.gz YEUSUIRCFCWAGN-QGZVFWFLSA-N 1 1 311.429 3.311 20 70 DGIDMO CCC[N@@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161072305 432757879 /nfs/dbraw/zinc/75/78/79/432757879.db2.gz VYKRTYZMXJWSSY-QGZVFWFLSA-N 1 1 309.475 3.011 20 70 DGIDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000161082351 432757992 /nfs/dbraw/zinc/75/79/92/432757992.db2.gz GLBJFCOEVWPOBP-HNNXBMFYSA-N 1 1 311.429 3.005 20 70 DGIDMO CCC[N@@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161072426 432758035 /nfs/dbraw/zinc/75/80/35/432758035.db2.gz VYKRTYZMXJWSSY-KRWDZBQOSA-N 1 1 309.475 3.011 20 70 DGIDMO COCc1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097261 432759681 /nfs/dbraw/zinc/75/96/81/432759681.db2.gz CJRLHLKDKGGLAY-WBAXXEDZSA-N 1 1 320.477 3.365 20 70 DGIDMO C[C@@H](c1cccnc1)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161188809 432765359 /nfs/dbraw/zinc/76/53/59/432765359.db2.gz NYQZTGPTQSLSRP-HNNXBMFYSA-N 1 1 317.477 3.359 20 70 DGIDMO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000161264305 432770357 /nfs/dbraw/zinc/77/03/57/432770357.db2.gz GJCNVSYMMXTNIV-SZMVWBNQSA-N 1 1 318.436 3.262 20 70 DGIDMO CC(C)C[N@H+]1CCC[C@H](CNc2ncnc3sccc32)C1 ZINC000161310645 432773320 /nfs/dbraw/zinc/77/33/20/432773320.db2.gz ZOVCILMFJHPGES-CYBMUJFWSA-N 1 1 304.463 3.471 20 70 DGIDMO CC[N@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000160594623 432730776 /nfs/dbraw/zinc/73/07/76/432730776.db2.gz UEKZZKIMMBKDLW-CABCVRRESA-N 1 1 321.534 3.274 20 70 DGIDMO CCN1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000160594623 432730779 /nfs/dbraw/zinc/73/07/79/432730779.db2.gz UEKZZKIMMBKDLW-CABCVRRESA-N 1 1 321.534 3.274 20 70 DGIDMO COCC[C@@H](C)[NH2+]c1ccc(N2CCOC(C)(C)C2)cc1OC ZINC000160277224 292811570 /nfs/dbraw/zinc/81/15/70/292811570.db2.gz FDADRHJFCZETFQ-CQSZACIVSA-N 1 1 322.449 3.147 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)CC(C)(C)C)c2c1 ZINC000160846886 534247735 /nfs/dbraw/zinc/24/77/35/534247735.db2.gz KUNBGGASMBAUPL-UHFFFAOYSA-N 1 1 316.401 3.115 20 70 DGIDMO CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160475096 520081685 /nfs/dbraw/zinc/08/16/85/520081685.db2.gz VIAWVQVKJJGWSV-KRWDZBQOSA-N 1 1 303.450 3.223 20 70 DGIDMO CCCCCCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160475096 520081694 /nfs/dbraw/zinc/08/16/94/520081694.db2.gz VIAWVQVKJJGWSV-KRWDZBQOSA-N 1 1 303.450 3.223 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000159851915 529030474 /nfs/dbraw/zinc/03/04/74/529030474.db2.gz NVYTZKXCJUYIIP-MSOLQXFVSA-N 1 1 315.461 3.060 20 70 DGIDMO Cc1nccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1Cl ZINC000159916496 546057279 /nfs/dbraw/zinc/05/72/79/546057279.db2.gz CUXWSFGONCDNTR-CYBMUJFWSA-N 1 1 324.856 3.382 20 70 DGIDMO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCCCO1 ZINC000159536882 186125611 /nfs/dbraw/zinc/12/56/11/186125611.db2.gz HWGGXEJKMVDSHF-ZDUSSCGKSA-N 1 1 304.365 3.482 20 70 DGIDMO C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCCCO1 ZINC000159536882 186125612 /nfs/dbraw/zinc/12/56/12/186125612.db2.gz HWGGXEJKMVDSHF-ZDUSSCGKSA-N 1 1 304.365 3.482 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000159558887 186127151 /nfs/dbraw/zinc/12/71/51/186127151.db2.gz KOOYFICZHPLLJX-QGZVFWFLSA-N 1 1 303.450 3.121 20 70 DGIDMO CCCn1c(C)nnc1C[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000159584495 186128875 /nfs/dbraw/zinc/12/88/75/186128875.db2.gz CERMVYXEEZOMBB-QGZVFWFLSA-N 1 1 300.450 3.450 20 70 DGIDMO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000159622668 186131147 /nfs/dbraw/zinc/13/11/47/186131147.db2.gz GPDRQYRUZUGWSX-XMHCIUCPSA-N 1 1 322.518 3.384 20 70 DGIDMO CCc1nsc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160246329 197395244 /nfs/dbraw/zinc/39/52/44/197395244.db2.gz QUGSWIGYYZZWPP-GXTWGEPZSA-N 1 1 302.447 3.033 20 70 DGIDMO C[C@@H](Cc1ccc2ccccc2n1)SCC[NH+]1CCOCC1 ZINC000160036671 197381236 /nfs/dbraw/zinc/38/12/36/197381236.db2.gz XYHLXKDHDJNIAD-HNNXBMFYSA-N 1 1 316.470 3.231 20 70 DGIDMO Cc1cc[nH+]c(N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC000160022878 197380455 /nfs/dbraw/zinc/38/04/55/197380455.db2.gz PUIURCGGDAOFKE-GOSISDBHSA-N 1 1 317.433 3.227 20 70 DGIDMO Cc1ccc(-c2cc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)on2)cc1 ZINC000159817631 197366222 /nfs/dbraw/zinc/36/62/22/197366222.db2.gz FVWOQEKHOPGULC-YJBOKZPZSA-N 1 1 300.402 3.243 20 70 DGIDMO Cc1cc(C)cc(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000159766508 197362260 /nfs/dbraw/zinc/36/22/60/197362260.db2.gz TUIURURAJQJWPU-RBUKOAKNSA-N 1 1 314.473 3.179 20 70 DGIDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)NCc1cccs1 ZINC000159415172 197352560 /nfs/dbraw/zinc/35/25/60/197352560.db2.gz OYFYIQBYVAMVGF-GHMZBOCLSA-N 1 1 324.396 3.382 20 70 DGIDMO CC(C)[N@@H+](C)CCNC(=O)C1(c2cccs2)CCCCC1 ZINC000160181476 400733503 /nfs/dbraw/zinc/73/35/03/400733503.db2.gz PUHBCZAABLKWEY-UHFFFAOYSA-N 1 1 308.491 3.406 20 70 DGIDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000217005551 165377067 /nfs/dbraw/zinc/37/70/67/165377067.db2.gz XZZTWWWFRRSOCT-CQSZACIVSA-N 1 1 309.406 3.156 20 70 DGIDMO C[NH+](C)[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)c1ccccc1 ZINC000159658247 228242410 /nfs/dbraw/zinc/24/24/10/228242410.db2.gz GQOBTZUNGGTZMM-LJQANCHMSA-N 1 1 321.424 3.130 20 70 DGIDMO CC[C@H]([NH2+]Cc1c(C)nn(C)c1OC)c1ccc(F)cc1F ZINC000159740757 432693767 /nfs/dbraw/zinc/69/37/67/432693767.db2.gz GQEHEEOAKUQSGH-HNNXBMFYSA-N 1 1 309.360 3.256 20 70 DGIDMO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000159867664 432699458 /nfs/dbraw/zinc/69/94/58/432699458.db2.gz JDAMJYFTWHZZGS-UHFFFAOYSA-N 1 1 308.385 3.112 20 70 DGIDMO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1C ZINC000159874003 432699597 /nfs/dbraw/zinc/69/95/97/432699597.db2.gz DRGSRRMIIWGNLL-AEFFLSMTSA-N 1 1 303.446 3.407 20 70 DGIDMO CCCC(=O)Nc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000159896969 432701353 /nfs/dbraw/zinc/70/13/53/432701353.db2.gz MAZRCPZCSYBTFA-HDMKZQKVSA-N 1 1 317.477 3.244 20 70 DGIDMO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000159896969 432701359 /nfs/dbraw/zinc/70/13/59/432701359.db2.gz MAZRCPZCSYBTFA-HDMKZQKVSA-N 1 1 317.477 3.244 20 70 DGIDMO CC(C)N(C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000159979732 432702865 /nfs/dbraw/zinc/70/28/65/432702865.db2.gz FGKHTAVVGRHYMV-QAPCUYQASA-N 1 1 315.461 3.089 20 70 DGIDMO CC(C)N(C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000159979855 432703691 /nfs/dbraw/zinc/70/36/91/432703691.db2.gz FGKHTAVVGRHYMV-YJBOKZPZSA-N 1 1 315.461 3.089 20 70 DGIDMO CC[C@@H](C[NH2+][C@@H]1CCN(CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312013 432713335 /nfs/dbraw/zinc/71/33/35/432713335.db2.gz SSEBCCJGELLYDY-YQQAZPJKSA-N 1 1 308.441 3.303 20 70 DGIDMO CSCCN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160275214 432714037 /nfs/dbraw/zinc/71/40/37/432714037.db2.gz KSOFYBBURDNMEX-UHFFFAOYSA-N 1 1 314.252 3.120 20 70 DGIDMO CSCC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000160275214 432714039 /nfs/dbraw/zinc/71/40/39/432714039.db2.gz KSOFYBBURDNMEX-UHFFFAOYSA-N 1 1 314.252 3.120 20 70 DGIDMO CSCC[N@@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000160275214 432714040 /nfs/dbraw/zinc/71/40/40/432714040.db2.gz KSOFYBBURDNMEX-UHFFFAOYSA-N 1 1 314.252 3.120 20 70 DGIDMO CCc1nc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)n[nH]1 ZINC000160375846 432717327 /nfs/dbraw/zinc/71/73/27/432717327.db2.gz QUEVBNYCDDANQO-NSHDSACASA-N 1 1 316.302 3.290 20 70 DGIDMO CCN(CC1CC1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160404633 432718855 /nfs/dbraw/zinc/71/88/55/432718855.db2.gz XXAUFIUMNAUOLQ-CRAIPNDOSA-N 1 1 315.461 3.091 20 70 DGIDMO COCC[N@H+](Cc1cnc2cc(C)ccn12)Cc1ccccc1 ZINC000160444545 432720412 /nfs/dbraw/zinc/72/04/12/432720412.db2.gz DSEMUTSKYYVGOQ-UHFFFAOYSA-N 1 1 309.413 3.291 20 70 DGIDMO COCC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1ccccc1 ZINC000160444545 432720419 /nfs/dbraw/zinc/72/04/19/432720419.db2.gz DSEMUTSKYYVGOQ-UHFFFAOYSA-N 1 1 309.413 3.291 20 70 DGIDMO COCC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1 ZINC000160448600 432721550 /nfs/dbraw/zinc/72/15/50/432721550.db2.gz OCDFHNFCKCXMCY-UHFFFAOYSA-N 1 1 301.434 3.356 20 70 DGIDMO COCC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1 ZINC000160448600 432721554 /nfs/dbraw/zinc/72/15/54/432721554.db2.gz OCDFHNFCKCXMCY-UHFFFAOYSA-N 1 1 301.434 3.356 20 70 DGIDMO CS[C@H](C)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159441025 432684199 /nfs/dbraw/zinc/68/41/99/432684199.db2.gz UMESHUMYLUWEDR-QLFBSQMISA-N 1 1 300.512 3.002 20 70 DGIDMO c1nc2ccccn2c1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159491794 432685686 /nfs/dbraw/zinc/68/56/86/432685686.db2.gz DVYGAKNQQMUPIH-HXUWFJFHSA-N 1 1 319.408 3.008 20 70 DGIDMO c1nc2ccccn2c1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159491794 432685689 /nfs/dbraw/zinc/68/56/89/432685689.db2.gz DVYGAKNQQMUPIH-HXUWFJFHSA-N 1 1 319.408 3.008 20 70 DGIDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)cc2)n1 ZINC000159574045 432688302 /nfs/dbraw/zinc/68/83/02/432688302.db2.gz BXMQRSQETCBUMK-MJGOQNOKSA-N 1 1 313.445 3.082 20 70 DGIDMO Cc1ccc(C(=O)CC[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000160938148 432751485 /nfs/dbraw/zinc/75/14/85/432751485.db2.gz YEUSUIRCFCWAGN-KRWDZBQOSA-N 1 1 311.429 3.311 20 70 DGIDMO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000161024962 432754436 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C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cnc2ccccn12 ZINC000160512748 524629365 /nfs/dbraw/zinc/62/93/65/524629365.db2.gz XNUQRTHCUIJVEK-KRWDZBQOSA-N 1 1 320.440 3.041 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2)n1 ZINC000160291145 524850491 /nfs/dbraw/zinc/85/04/91/524850491.db2.gz LQOWIRCSZHUYJY-SFHVURJKSA-N 1 1 309.413 3.190 20 70 DGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2)n1 ZINC000160291145 524850501 /nfs/dbraw/zinc/85/05/01/524850501.db2.gz LQOWIRCSZHUYJY-SFHVURJKSA-N 1 1 309.413 3.190 20 70 DGIDMO Cc1ncc([C@@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c(C)n1 ZINC000160401309 527307065 /nfs/dbraw/zinc/30/70/65/527307065.db2.gz PVUKMBVGMNEKLP-FZKQIMNGSA-N 1 1 304.482 3.255 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)NCC(C)(C)c2ccccc2C)CC1 ZINC000159793032 529022362 /nfs/dbraw/zinc/02/23/62/529022362.db2.gz BDIYWZZAXLSFMW-UHFFFAOYSA-N 1 1 317.477 3.010 20 70 DGIDMO CCCN1CCC([NH2+]C[C@H](CC)Oc2ccccc2F)CC1 ZINC000160300598 546058958 /nfs/dbraw/zinc/05/89/58/546058958.db2.gz MQNHYGWTABPLSJ-INIZCTEOSA-N 1 1 308.441 3.447 20 70 DGIDMO CCC[NH+]1CCC(NC[C@H](CC)Oc2ccccc2F)CC1 ZINC000160300598 546058964 /nfs/dbraw/zinc/05/89/64/546058964.db2.gz MQNHYGWTABPLSJ-INIZCTEOSA-N 1 1 308.441 3.447 20 70 DGIDMO CCCN1CCC([NH2+]C[C@@H](CC)Oc2ccccc2F)CC1 ZINC000160300476 546059216 /nfs/dbraw/zinc/05/92/16/546059216.db2.gz MQNHYGWTABPLSJ-MRXNPFEDSA-N 1 1 308.441 3.447 20 70 DGIDMO CCC[NH+]1CCC(NC[C@@H](CC)Oc2ccccc2F)CC1 ZINC000160300476 546059220 /nfs/dbraw/zinc/05/92/20/546059220.db2.gz MQNHYGWTABPLSJ-MRXNPFEDSA-N 1 1 308.441 3.447 20 70 DGIDMO CS(=O)(=O)CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000161491889 546068807 /nfs/dbraw/zinc/06/88/07/546068807.db2.gz DLVLSQQJWYYNNN-UHFFFAOYSA-N 1 1 315.866 3.129 20 70 DGIDMO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000161505822 546070402 /nfs/dbraw/zinc/07/04/02/546070402.db2.gz AHKFKDLKKIUQKM-CQSZACIVSA-N 1 1 304.438 3.024 20 70 DGIDMO CC1(C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000159573891 186128085 /nfs/dbraw/zinc/12/80/85/186128085.db2.gz CRWBPHWXZPHIQQ-AWEZNQCLSA-N 1 1 322.399 3.092 20 70 DGIDMO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000160587823 197424930 /nfs/dbraw/zinc/42/49/30/197424930.db2.gz KNPKAZCSIYGPJE-LBPRGKRZSA-N 1 1 303.431 3.134 20 70 DGIDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273421 197396830 /nfs/dbraw/zinc/39/68/30/197396830.db2.gz VQUBQCWXXNMSRX-ZMPRRUGASA-N 1 1 322.518 3.339 20 70 DGIDMO CCc1nsc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160246461 197395279 /nfs/dbraw/zinc/39/52/79/197395279.db2.gz QUGSWIGYYZZWPP-JSGCOSHPSA-N 1 1 302.447 3.033 20 70 DGIDMO CCn1nccc1CNC[C@H](c1ccccc1)[NH+](CC)CC ZINC000159873613 197369868 /nfs/dbraw/zinc/36/98/68/197369868.db2.gz RGPGLHJLAZGUDR-GOSISDBHSA-N 1 1 300.450 3.076 20 70 DGIDMO C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[C@@H]1O ZINC000159809380 197366619 /nfs/dbraw/zinc/36/66/19/197366619.db2.gz YPAGSJZTCPWTFD-DOMZBBRYSA-N 1 1 304.365 3.074 20 70 DGIDMO Cc1cc(C)cc(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000159485184 197357433 /nfs/dbraw/zinc/35/74/33/197357433.db2.gz CIYSOBWXYCOEMW-RBUKOAKNSA-N 1 1 314.473 3.179 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000159529127 197360904 /nfs/dbraw/zinc/36/09/04/197360904.db2.gz DIOCJFITVMKIAJ-ZDUSSCGKSA-N 1 1 309.841 3.138 20 70 DGIDMO CC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000159872285 400731298 /nfs/dbraw/zinc/73/12/98/400731298.db2.gz PQJBBKSUTCSMIU-UHFFFAOYSA-N 1 1 301.217 3.094 20 70 DGIDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)N1CCC(C)CC1 ZINC000159419430 278378958 /nfs/dbraw/zinc/37/89/58/278378958.db2.gz YRUACEYSQSLILX-CHWSQXEVSA-N 1 1 310.388 3.262 20 70 DGIDMO O=C(NCC1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217592911 432657098 /nfs/dbraw/zinc/65/70/98/432657098.db2.gz YCWBHYDIAGQBPQ-UHFFFAOYSA-N 1 1 315.461 3.094 20 70 DGIDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000218689496 432660749 /nfs/dbraw/zinc/66/07/49/432660749.db2.gz YGQOKRFWBAXQIV-KRWDZBQOSA-N 1 1 319.832 3.254 20 70 DGIDMO Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)C2CC2)o1 ZINC000159722297 432694556 /nfs/dbraw/zinc/69/45/56/432694556.db2.gz FRFBSVAXNZSTHV-YJBOKZPZSA-N 1 1 316.445 3.344 20 70 DGIDMO C[C@@H]1[C@H](C)SCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159751239 432696236 /nfs/dbraw/zinc/69/62/36/432696236.db2.gz UIPQTHQTEFNOME-KGLIPLIRSA-N 1 1 312.523 3.097 20 70 DGIDMO CC(C)N(C(=O)[C@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1)C(C)C ZINC000159800480 432697298 /nfs/dbraw/zinc/69/72/98/432697298.db2.gz GBVZEHYDZOBFLN-INIZCTEOSA-N 1 1 319.493 3.218 20 70 DGIDMO C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000159842210 432698153 /nfs/dbraw/zinc/69/81/53/432698153.db2.gz HUACREJJIUQRDM-BXUZGUMPSA-N 1 1 319.392 3.046 20 70 DGIDMO CCC[N@@H+](CCOCC1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159953274 432702568 /nfs/dbraw/zinc/70/25/68/432702568.db2.gz QSBYCSGZLDEWCA-OAHLLOKOSA-N 1 1 304.434 3.152 20 70 DGIDMO CCCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160342490 432715393 /nfs/dbraw/zinc/71/53/93/432715393.db2.gz MUHORULTGZTZNP-DOTOQJQBSA-N 1 1 303.450 3.091 20 70 DGIDMO CCCC[C@@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccc(OC)cc1 ZINC000160412314 432719272 /nfs/dbraw/zinc/71/92/72/432719272.db2.gz SISJMLMBFQBQRC-OAHLLOKOSA-N 1 1 302.422 3.397 20 70 DGIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1OC(F)F ZINC000159631684 432690406 /nfs/dbraw/zinc/69/04/06/432690406.db2.gz PVDRAHZHVWAHOD-JSGCOSHPSA-N 1 1 324.371 3.491 20 70 DGIDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CSCCc3ccccc32)C1 ZINC000161110126 432759656 /nfs/dbraw/zinc/75/96/56/432759656.db2.gz INWKGLKYEJQAIM-JFIYKMOQSA-N 1 1 304.503 3.479 20 70 DGIDMO CCC[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000161096126 432759900 /nfs/dbraw/zinc/75/99/00/432759900.db2.gz ORKGDRJFJHAJRC-HNNXBMFYSA-N 1 1 301.496 3.102 20 70 DGIDMO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)cc2c1OCO2 ZINC000161141687 432761698 /nfs/dbraw/zinc/76/16/98/432761698.db2.gz VZTFPIDKNHMLHU-UHFFFAOYSA-N 1 1 303.333 3.195 20 70 DGIDMO Cc1ccc(-c2nc(C[NH+]3CCC(C)(O)CC3)cs2)cc1 ZINC000161195120 432764369 /nfs/dbraw/zinc/76/43/69/432764369.db2.gz XTMZMYYPKLZNLC-UHFFFAOYSA-N 1 1 302.443 3.465 20 70 DGIDMO C[N@@H+]1CCN(Cc2ncc(C(C)(C)C)o2)[C@@H](c2ccccc2)C1 ZINC000161343918 432774456 /nfs/dbraw/zinc/77/44/56/432774456.db2.gz XIXLGAYZOICKOX-MRXNPFEDSA-N 1 1 313.445 3.461 20 70 DGIDMO C[N@H+]1CCN(Cc2ncc(C(C)(C)C)o2)[C@@H](c2ccccc2)C1 ZINC000161343918 432774460 /nfs/dbraw/zinc/77/44/60/432774460.db2.gz XIXLGAYZOICKOX-MRXNPFEDSA-N 1 1 313.445 3.461 20 70 DGIDMO CC[C@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000161399693 432777032 /nfs/dbraw/zinc/77/70/32/432777032.db2.gz RWCVEMKTBXAMAX-LBPRGKRZSA-N 1 1 305.447 3.223 20 70 DGIDMO CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000161399693 432777034 /nfs/dbraw/zinc/77/70/34/432777034.db2.gz RWCVEMKTBXAMAX-LBPRGKRZSA-N 1 1 305.447 3.223 20 70 DGIDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(C)nc3ccccn32)C1(C)C ZINC000160570415 432729671 /nfs/dbraw/zinc/72/96/71/432729671.db2.gz LTWWPPFESDDMBT-HOTGVXAUSA-N 1 1 301.434 3.278 20 70 DGIDMO C[C@H]1C[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@H+]1C ZINC000160588183 432731080 /nfs/dbraw/zinc/73/10/80/432731080.db2.gz JCTHGVQGIRJOFQ-KBPBESRZSA-N 1 1 307.507 3.027 20 70 DGIDMO C[C@H]1C[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CCN1C ZINC000160588183 432731083 /nfs/dbraw/zinc/73/10/83/432731083.db2.gz JCTHGVQGIRJOFQ-KBPBESRZSA-N 1 1 307.507 3.027 20 70 DGIDMO COC(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)OC ZINC000160632621 432731460 /nfs/dbraw/zinc/73/14/60/432731460.db2.gz QIJUJLBFOYDXGX-ZDUSSCGKSA-N 1 1 314.223 3.205 20 70 DGIDMO COC(C[N@H+]1CCC[C@H]1c1cccc(Br)c1)OC ZINC000160632621 432731463 /nfs/dbraw/zinc/73/14/63/432731463.db2.gz QIJUJLBFOYDXGX-ZDUSSCGKSA-N 1 1 314.223 3.205 20 70 DGIDMO CCCC[N@@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160752670 432738474 /nfs/dbraw/zinc/73/84/74/432738474.db2.gz WSHIWGZPXPERSN-GOSISDBHSA-N 1 1 323.502 3.401 20 70 DGIDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC1=CCCOC1 ZINC000161485397 432781984 /nfs/dbraw/zinc/78/19/84/432781984.db2.gz SVNXILZEAOFVAG-UHFFFAOYSA-N 1 1 320.408 3.211 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCCC[C@H]3C)c2c1 ZINC000160469877 534248481 /nfs/dbraw/zinc/24/84/81/534248481.db2.gz LIZUFMQYXFTTBU-GFCCVEGCSA-N 1 1 314.385 3.012 20 70 DGIDMO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCCC[C@H]3C)c2c1 ZINC000160469877 534248483 /nfs/dbraw/zinc/24/84/83/534248483.db2.gz LIZUFMQYXFTTBU-GFCCVEGCSA-N 1 1 314.385 3.012 20 70 DGIDMO Cn1cc(C[N@@H+](C)Cc2cccc(F)c2)c(-c2cccnc2)n1 ZINC000160460936 523491632 /nfs/dbraw/zinc/49/16/32/523491632.db2.gz JEYYFQAPVGBQEV-UHFFFAOYSA-N 1 1 310.376 3.253 20 70 DGIDMO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160380455 527667218 /nfs/dbraw/zinc/66/72/18/527667218.db2.gz GHWQLVHPESSVND-HNNXBMFYSA-N 1 1 304.825 3.422 20 70 DGIDMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160380455 527667220 /nfs/dbraw/zinc/66/72/20/527667220.db2.gz GHWQLVHPESSVND-HNNXBMFYSA-N 1 1 304.825 3.422 20 70 DGIDMO CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 ZINC000159679333 529024861 /nfs/dbraw/zinc/02/48/61/529024861.db2.gz YGZASCHNBNCQOE-GOSISDBHSA-N 1 1 317.477 3.163 20 70 DGIDMO CCN(C(=O)NC1CC=CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160723214 546061880 /nfs/dbraw/zinc/06/18/80/546061880.db2.gz JLKMMQUCBAHSFB-GOSISDBHSA-N 1 1 313.445 3.011 20 70 DGIDMO CCN(C(=O)NC1CC=CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160723343 546062000 /nfs/dbraw/zinc/06/20/00/546062000.db2.gz JLKMMQUCBAHSFB-SFHVURJKSA-N 1 1 313.445 3.011 20 70 DGIDMO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000161510139 546070216 /nfs/dbraw/zinc/07/02/16/546070216.db2.gz TXLHNHCMROOFFM-HNNXBMFYSA-N 1 1 315.866 3.302 20 70 DGIDMO CS(=O)(=O)CCCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000161510139 546070218 /nfs/dbraw/zinc/07/02/18/546070218.db2.gz TXLHNHCMROOFFM-HNNXBMFYSA-N 1 1 315.866 3.302 20 70 DGIDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)[nH]1 ZINC000160293921 197398164 /nfs/dbraw/zinc/39/81/64/197398164.db2.gz SNHRVTQFNGFCQC-VIFPVBQESA-N 1 1 314.311 3.117 20 70 DGIDMO COCCOc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000159869484 197370418 /nfs/dbraw/zinc/37/04/18/197370418.db2.gz QJSXSJIVYJCJDZ-UHFFFAOYSA-N 1 1 315.413 3.352 20 70 DGIDMO C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[C@@H]1O ZINC000159809242 197366356 /nfs/dbraw/zinc/36/63/56/197366356.db2.gz YPAGSJZTCPWTFD-WFASDCNBSA-N 1 1 304.365 3.074 20 70 DGIDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1cccc(F)c1F ZINC000159449648 197354275 /nfs/dbraw/zinc/35/42/75/197354275.db2.gz ZNVBCCJQNHSZON-NEPJUHHUSA-N 1 1 310.388 3.453 20 70 DGIDMO C[N@H+]1CCC[C@H](CNC(=O)C2(c3cccs3)CCCCC2)C1 ZINC000159511244 400730000 /nfs/dbraw/zinc/73/00/00/400730000.db2.gz NUHWIJIJJSABRZ-OAHLLOKOSA-N 1 1 320.502 3.408 20 70 DGIDMO CCc1ccc([C@H](C)CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000159495284 400730073 /nfs/dbraw/zinc/73/00/73/400730073.db2.gz CWAUEFQNWPPWPZ-BEFAXECRSA-N 1 1 314.473 3.343 20 70 DGIDMO COC(=O)C1([N@H+](C)Cc2cccc(OC(F)F)c2)CCCC1 ZINC000159422032 400730089 /nfs/dbraw/zinc/73/00/89/400730089.db2.gz GJVCJMUBTRDYSL-UHFFFAOYSA-N 1 1 313.344 3.206 20 70 DGIDMO COC(=O)C1([N@@H+](C)Cc2cccc(OC(F)F)c2)CCCC1 ZINC000159422032 400730092 /nfs/dbraw/zinc/73/00/92/400730092.db2.gz GJVCJMUBTRDYSL-UHFFFAOYSA-N 1 1 313.344 3.206 20 70 DGIDMO Cc1cccc(C(C)(C)NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000160662727 400734556 /nfs/dbraw/zinc/73/45/56/400734556.db2.gz HFEMPSZSERVXSS-KRWDZBQOSA-N 1 1 315.461 3.014 20 70 DGIDMO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160651954 400734665 /nfs/dbraw/zinc/73/46/65/400734665.db2.gz JHHBJKAYMIBVIB-GOSISDBHSA-N 1 1 315.461 3.091 20 70 DGIDMO c1cc2c(c([C@@H]3CCC[N@@H+]3CCOCC3CC3)c1)OCCO2 ZINC000160397939 228246575 /nfs/dbraw/zinc/24/65/75/228246575.db2.gz ZCRMUEVSGYVSKG-INIZCTEOSA-N 1 1 303.402 3.021 20 70 DGIDMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000159836223 432697285 /nfs/dbraw/zinc/69/72/85/432697285.db2.gz HDOJYYYKYAKBMN-SFHVURJKSA-N 1 1 309.413 3.474 20 70 DGIDMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000159836223 432697287 /nfs/dbraw/zinc/69/72/87/432697287.db2.gz HDOJYYYKYAKBMN-SFHVURJKSA-N 1 1 309.413 3.474 20 70 DGIDMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159889329 432698921 /nfs/dbraw/zinc/69/89/21/432698921.db2.gz XSUZQZVGGDQROS-HNNXBMFYSA-N 1 1 317.477 3.022 20 70 DGIDMO CSCCCCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000159935840 432701263 /nfs/dbraw/zinc/70/12/63/432701263.db2.gz DZKOPIGNRCCCTK-HNNXBMFYSA-N 1 1 300.512 3.291 20 70 DGIDMO CCCC(=O)Nc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000159896695 432702011 /nfs/dbraw/zinc/70/20/11/432702011.db2.gz MAZRCPZCSYBTFA-RLFYNMQTSA-N 1 1 317.477 3.244 20 70 DGIDMO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000159896695 432702023 /nfs/dbraw/zinc/70/20/23/432702023.db2.gz MAZRCPZCSYBTFA-RLFYNMQTSA-N 1 1 317.477 3.244 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccccc32)n1 ZINC000160204329 432710022 /nfs/dbraw/zinc/71/00/22/432710022.db2.gz KMVZIOVQLDLNHR-LJQANCHMSA-N 1 1 321.424 3.116 20 70 DGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccccc32)n1 ZINC000160204329 432710027 /nfs/dbraw/zinc/71/00/27/432710027.db2.gz KMVZIOVQLDLNHR-LJQANCHMSA-N 1 1 321.424 3.116 20 70 DGIDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N1CCCCCC1 ZINC000159499513 432684639 /nfs/dbraw/zinc/68/46/39/432684639.db2.gz HWIVZZODSZMOPA-STQMWFEESA-N 1 1 310.388 3.407 20 70 DGIDMO CC[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000159509747 432685352 /nfs/dbraw/zinc/68/53/52/432685352.db2.gz OUIHZBIOBNZLIE-DLBZAZTESA-N 1 1 302.462 3.337 20 70 DGIDMO CC(C)(C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC000160872562 432747783 /nfs/dbraw/zinc/74/77/83/432747783.db2.gz KHOGOROZLYRGIE-UHFFFAOYSA-N 1 1 320.502 3.439 20 70 DGIDMO CC(C)(C(=O)NCC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC000160872562 432747788 /nfs/dbraw/zinc/74/77/88/432747788.db2.gz KHOGOROZLYRGIE-UHFFFAOYSA-N 1 1 320.502 3.439 20 70 DGIDMO CCc1cc(=O)[nH]c(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000160980740 432752479 /nfs/dbraw/zinc/75/24/79/432752479.db2.gz BEOMFOFFPTYSHX-KRWDZBQOSA-N 1 1 309.413 3.397 20 70 DGIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000161074324 432757492 /nfs/dbraw/zinc/75/74/92/432757492.db2.gz SSXNHAALDBIKKP-XHSDSOJGSA-N 1 1 303.450 3.082 20 70 DGIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000161074324 432757495 /nfs/dbraw/zinc/75/74/95/432757495.db2.gz SSXNHAALDBIKKP-XHSDSOJGSA-N 1 1 303.450 3.082 20 70 DGIDMO CCC[N@@H+](CCO)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000161207766 432766310 /nfs/dbraw/zinc/76/63/10/432766310.db2.gz JHWPXKJUFNEPQS-UHFFFAOYSA-N 1 1 315.461 3.061 20 70 DGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000160563273 432728051 /nfs/dbraw/zinc/72/80/51/432728051.db2.gz QEMYQIINHVQJJP-KGLIPLIRSA-N 1 1 322.449 3.399 20 70 DGIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnc(Cl)cc1C ZINC000160555380 432728928 /nfs/dbraw/zinc/72/89/28/432728928.db2.gz WGTAYVXNSKYWOX-UHFFFAOYSA-N 1 1 321.812 3.102 20 70 DGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000160563393 432728961 /nfs/dbraw/zinc/72/89/61/432728961.db2.gz QEMYQIINHVQJJP-KBPBESRZSA-N 1 1 322.449 3.399 20 70 DGIDMO C[C@@H]1C[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@H+]1C ZINC000160588040 432730273 /nfs/dbraw/zinc/73/02/73/432730273.db2.gz JCTHGVQGIRJOFQ-KGLIPLIRSA-N 1 1 307.507 3.027 20 70 DGIDMO C[C@@H]1C[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CCN1C ZINC000160588040 432730277 /nfs/dbraw/zinc/73/02/77/432730277.db2.gz JCTHGVQGIRJOFQ-KGLIPLIRSA-N 1 1 307.507 3.027 20 70 DGIDMO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000160638162 432732538 /nfs/dbraw/zinc/73/25/38/432732538.db2.gz OOTNDTLAEVZVFR-IKGGRYGDSA-N 1 1 304.409 3.014 20 70 DGIDMO Cn1ccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1 ZINC000161479341 432781819 /nfs/dbraw/zinc/78/18/19/432781819.db2.gz NGHRBLBMOPVOBR-UHFFFAOYSA-N 1 1 317.408 3.403 20 70 DGIDMO C[C@H]([NH2+]CCCOc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000160715471 432736956 /nfs/dbraw/zinc/73/69/56/432736956.db2.gz JGWNZAUOMAGKSF-ZDUSSCGKSA-N 1 1 303.406 3.487 20 70 DGIDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000160792623 432742204 /nfs/dbraw/zinc/74/22/04/432742204.db2.gz AASVCKONGWZKBV-LBPRGKRZSA-N 1 1 302.349 3.124 20 70 DGIDMO CN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C1CCCCCC1 ZINC000160822952 432744965 /nfs/dbraw/zinc/74/49/65/432744965.db2.gz GNFKBNOZCSGMBR-HNNXBMFYSA-N 1 1 307.482 3.368 20 70 DGIDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768765 290171769 /nfs/dbraw/zinc/17/17/69/290171769.db2.gz KKVLVVLIFJCUDU-LSDHHAIUSA-N 1 1 312.523 3.241 20 70 DGIDMO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160380597 527665445 /nfs/dbraw/zinc/66/54/45/527665445.db2.gz GHWQLVHPESSVND-OAHLLOKOSA-N 1 1 304.825 3.422 20 70 DGIDMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160380597 527665447 /nfs/dbraw/zinc/66/54/47/527665447.db2.gz GHWQLVHPESSVND-OAHLLOKOSA-N 1 1 304.825 3.422 20 70 DGIDMO CCCN1CCC([NH2+]CCCOCc2ccc(OC)cc2)CC1 ZINC000161058064 546064569 /nfs/dbraw/zinc/06/45/69/546064569.db2.gz JPUBVGJORCMSCB-UHFFFAOYSA-N 1 1 320.477 3.066 20 70 DGIDMO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000161505670 546070246 /nfs/dbraw/zinc/07/02/46/546070246.db2.gz AHKFKDLKKIUQKM-AWEZNQCLSA-N 1 1 304.438 3.024 20 70 DGIDMO