smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)s1 ZINC000023429548 695662041 /nfs/dbraw/zinc/66/20/41/695662041.db2.gz YUILBTFWZQZJIR-INIZCTEOSA-N 1 1 352.463 3.370 50 0 FGAAMO CSCC[C@H]([NH3+])c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000002200132 204028738 /nfs/dbraw/zinc/02/87/38/204028738.db2.gz GUBGPKHADQNOFN-LBPRGKRZSA-N 1 1 366.512 3.170 50 0 FGAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000002258552 204030126 /nfs/dbraw/zinc/03/01/26/204030126.db2.gz BZOKKIDZLOABMB-UHFFFAOYSA-N 1 1 373.453 3.166 50 0 FGAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000002649493 204048766 /nfs/dbraw/zinc/04/87/66/204048766.db2.gz WCNDHRVMDVLJAJ-UHFFFAOYSA-N 1 1 367.449 3.372 50 0 FGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(C)c21 ZINC000005478490 204210452 /nfs/dbraw/zinc/21/04/52/204210452.db2.gz FGNFHDNZLFXKRC-AWEZNQCLSA-N 1 1 357.454 3.466 50 0 FGAAMO COc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000006725981 204263869 /nfs/dbraw/zinc/26/38/69/204263869.db2.gz ZVOMLWOMGSSOPT-UHFFFAOYSA-N 1 1 369.465 3.096 50 0 FGAAMO CCOc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000007686398 204302794 /nfs/dbraw/zinc/30/27/94/204302794.db2.gz GSODXRPLUIXTBH-MRXNPFEDSA-N 1 1 356.466 3.403 50 0 FGAAMO CCOc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000007686398 204302797 /nfs/dbraw/zinc/30/27/97/204302797.db2.gz GSODXRPLUIXTBH-MRXNPFEDSA-N 1 1 356.466 3.403 50 0 FGAAMO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc3c2OCOC3)cc1 ZINC000007995625 204314233 /nfs/dbraw/zinc/31/42/33/204314233.db2.gz CJJQMBCKKGZJJK-UHFFFAOYSA-N 1 1 360.841 3.198 50 0 FGAAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc3c2OCOC3)cc1 ZINC000007995625 204314238 /nfs/dbraw/zinc/31/42/38/204314238.db2.gz CJJQMBCKKGZJJK-UHFFFAOYSA-N 1 1 360.841 3.198 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NCc1ccco1 ZINC000008261743 204323466 /nfs/dbraw/zinc/32/34/66/204323466.db2.gz SAPBJAHYAUBCBB-CQSZACIVSA-N 1 1 355.463 3.385 50 0 FGAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NCc1ccco1 ZINC000008261743 204323471 /nfs/dbraw/zinc/32/34/71/204323471.db2.gz SAPBJAHYAUBCBB-CQSZACIVSA-N 1 1 355.463 3.385 50 0 FGAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000036095261 205004073 /nfs/dbraw/zinc/00/40/73/205004073.db2.gz NDXFWIOMTIWYRB-SIKLNZKXSA-N 1 1 371.477 3.116 50 0 FGAAMO COCCC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036094991 205004116 /nfs/dbraw/zinc/00/41/16/205004116.db2.gz PVDVDFGDEVWQQZ-HXUWFJFHSA-N 1 1 373.493 3.282 50 0 FGAAMO COCCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)COCc1ccccc1 ZINC000036101404 205004835 /nfs/dbraw/zinc/00/48/35/205004835.db2.gz CUFOXEKUTWHQBJ-LJQANCHMSA-N 1 1 363.523 3.473 50 0 FGAAMO O=C(c1ccco1)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(O)c1ccco1 ZINC000036556647 205015890 /nfs/dbraw/zinc/01/58/90/205015890.db2.gz UDVHJQCZKJREIE-LAUBAEHRSA-N 1 1 351.402 3.465 50 0 FGAAMO O=C(c1ccco1)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)c1ccco1 ZINC000036556647 205015895 /nfs/dbraw/zinc/01/58/95/205015895.db2.gz UDVHJQCZKJREIE-LAUBAEHRSA-N 1 1 351.402 3.465 50 0 FGAAMO Cc1[nH+]ccn1-c1ccc(C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000077197110 205037552 /nfs/dbraw/zinc/03/75/52/205037552.db2.gz SJBABAPVKMVDEK-UHFFFAOYSA-N 1 1 372.226 3.294 50 0 FGAAMO C[C@@H](CNC(=O)COc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000040108049 205056152 /nfs/dbraw/zinc/05/61/52/205056152.db2.gz SHYMZGNHXZAJOK-KGLIPLIRSA-N 1 1 369.303 3.065 50 0 FGAAMO CCn1nnc2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)ccc21 ZINC000041596772 205091933 /nfs/dbraw/zinc/09/19/33/205091933.db2.gz GDJJQFKHICPVAE-GOSISDBHSA-N 1 1 371.872 3.137 50 0 FGAAMO CCOc1cc(CNCCC[NH2+]CCO)ccc1OCc1cccc(C)c1 ZINC000040720784 205076796 /nfs/dbraw/zinc/07/67/96/205076796.db2.gz KXIAINDYVOJCEL-UHFFFAOYSA-N 1 1 372.509 3.034 50 0 FGAAMO O=C(c1cc(-c2cccnc2)on1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048261076 205155031 /nfs/dbraw/zinc/15/50/31/205155031.db2.gz IMIDWGJGKZGVAN-UHFFFAOYSA-N 1 1 368.462 3.146 50 0 FGAAMO O=C(c1cc(-c2cccnc2)on1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000048261076 205155036 /nfs/dbraw/zinc/15/50/36/205155036.db2.gz IMIDWGJGKZGVAN-UHFFFAOYSA-N 1 1 368.462 3.146 50 0 FGAAMO CCOC(=O)c1sc2ncnc(NC[C@H](C)Cn3cc[nH+]c3C)c2c1C ZINC000048309314 205156535 /nfs/dbraw/zinc/15/65/35/205156535.db2.gz ZJVVHPWEWLXSAU-NSHDSACASA-N 1 1 373.482 3.430 50 0 FGAAMO C[N@H+]1CCC[C@@H]1CCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1 ZINC000048327120 205157599 /nfs/dbraw/zinc/15/75/99/205157599.db2.gz IGPGPEFZDYDHKY-QGZVFWFLSA-N 1 1 366.444 3.365 50 0 FGAAMO Cc1noc2ncc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc12 ZINC000054224006 205199039 /nfs/dbraw/zinc/19/90/39/205199039.db2.gz IULXBYZPXGHHLG-YOEHRIQHSA-N 1 1 350.422 3.097 50 0 FGAAMO Cc1nc(C)c(C[NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)nc1C ZINC000055255834 205213222 /nfs/dbraw/zinc/21/32/22/205213222.db2.gz XKAWMZUVFUYAQS-HXUWFJFHSA-N 1 1 374.488 3.446 50 0 FGAAMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]12 ZINC000053147422 205189937 /nfs/dbraw/zinc/18/99/37/205189937.db2.gz GRTOGORTSDXSFK-XJTZBENFSA-N 1 1 352.434 3.179 50 0 biogenic,in-man FGAAMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]12 ZINC000053147422 205189942 /nfs/dbraw/zinc/18/99/42/205189942.db2.gz GRTOGORTSDXSFK-XJTZBENFSA-N 1 1 352.434 3.179 50 0 biogenic,in-man FGAAMO O=c1oc2ccccc2n1CC[N@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000055344548 205216615 /nfs/dbraw/zinc/21/66/15/205216615.db2.gz VODXBTJSUQUMAC-MRXNPFEDSA-N 1 1 358.463 3.337 50 0 FGAAMO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000056172303 205228012 /nfs/dbraw/zinc/22/80/12/205228012.db2.gz CCTDFNIRLSGWIZ-SPLOXXLWSA-N 1 1 363.461 3.242 50 0 FGAAMO O=C(c1cnc2ccccc2n1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000058055514 205249590 /nfs/dbraw/zinc/24/95/90/205249590.db2.gz GMZHDXNZVFLPEJ-UHFFFAOYSA-N 1 1 352.482 3.358 50 0 FGAAMO CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000058182343 205255894 /nfs/dbraw/zinc/25/58/94/205255894.db2.gz QJNRCLHULPRNRO-IAGOWNOFSA-N 1 1 369.550 3.400 50 0 FGAAMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)c12 ZINC000058209347 205259384 /nfs/dbraw/zinc/25/93/84/205259384.db2.gz HXLAECCYRJKBFN-OAHLLOKOSA-N 1 1 369.513 3.004 50 0 FGAAMO CCCOc1cccc(C[NH2+]C[C@@H](CN(C)C)[C@H](O)c2ccccc2)c1 ZINC000058213546 205261978 /nfs/dbraw/zinc/26/19/78/205261978.db2.gz FRYCJMNGHVWVBR-RBBKRZOGSA-N 1 1 356.510 3.476 50 0 FGAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000058210725 205262674 /nfs/dbraw/zinc/26/26/74/205262674.db2.gz JKJHXEBCAGXTPQ-SCTDSRPQSA-N 1 1 369.509 3.201 50 0 FGAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(C)no2)c2ccc(F)cc2)cc1 ZINC000058248385 205267174 /nfs/dbraw/zinc/26/71/74/205267174.db2.gz YZNHGPUNXCOJFU-FQEVSTJZSA-N 1 1 369.396 3.448 50 0 FGAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000058015347 205247006 /nfs/dbraw/zinc/24/70/06/205247006.db2.gz SKVOZUUSZBBOFJ-WOJBJXKFSA-N 1 1 372.509 3.028 50 0 FGAAMO COc1ccc(-c2cnc(C[NH+]3CCC(NC(=O)C(C)C)CC3)o2)cc1 ZINC000060105817 205283618 /nfs/dbraw/zinc/28/36/18/205283618.db2.gz GTVQFSCMNQYPER-UHFFFAOYSA-N 1 1 357.454 3.087 50 0 FGAAMO FC(F)Oc1cccc(CN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000065234313 205326635 /nfs/dbraw/zinc/32/66/35/205326635.db2.gz LAFSGLJNUUHODR-UHFFFAOYSA-N 1 1 362.420 3.485 50 0 FGAAMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1cccc(C(=O)Nc2cnccn2)c1 ZINC000065435932 205349833 /nfs/dbraw/zinc/34/98/33/205349833.db2.gz JBIMVHBPAHQBKA-INIZCTEOSA-N 1 1 361.449 3.187 50 0 FGAAMO CC(C)c1noc(C2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C(C)C)CC2)n1 ZINC000065488785 205354485 /nfs/dbraw/zinc/35/44/85/205354485.db2.gz NLKYBAHURXVGPL-CQSZACIVSA-N 1 1 359.474 3.480 50 0 FGAAMO Cc1ccsc1[C@@H]1CC[N@H+](C2CCN(Cc3ccccn3)CC2)C[C@H]1O ZINC000065506883 205356479 /nfs/dbraw/zinc/35/64/79/205356479.db2.gz PKULFVQIMZTEDJ-WOJBJXKFSA-N 1 1 371.550 3.266 50 0 FGAAMO C[N@H+](Cc1cc2c(cc1Cl)OCO2)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065421124 205348159 /nfs/dbraw/zinc/34/81/59/205348159.db2.gz JYRPGTSWSGEQBZ-CYBMUJFWSA-N 1 1 364.873 3.292 50 0 FGAAMO COC(=O)Cc1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)[nH]n1 ZINC000067490644 205372797 /nfs/dbraw/zinc/37/27/97/205372797.db2.gz PHFXQCHHPVNVBG-UHFFFAOYSA-N 1 1 364.449 3.053 50 0 FGAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2)c(OC)c1 ZINC000067459466 205373359 /nfs/dbraw/zinc/37/33/59/205373359.db2.gz KRULQXGURHQHIR-OAQYLSRUSA-N 1 1 360.498 3.174 50 0 FGAAMO Cc1nnsc1C(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000067622774 205377539 /nfs/dbraw/zinc/37/75/39/205377539.db2.gz NPTKGLWZTCOJKE-UHFFFAOYSA-N 1 1 369.454 3.007 50 0 FGAAMO Cc1nnsc1C(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000067622774 205377544 /nfs/dbraw/zinc/37/75/44/205377544.db2.gz NPTKGLWZTCOJKE-UHFFFAOYSA-N 1 1 369.454 3.007 50 0 FGAAMO Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c(C)c1 ZINC000067629971 205377612 /nfs/dbraw/zinc/37/76/12/205377612.db2.gz ONYOCULKMSJBCJ-UHFFFAOYSA-N 1 1 368.485 3.236 50 0 FGAAMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)C(C)C)CC2)c2cccnc12 ZINC000067650742 205381136 /nfs/dbraw/zinc/38/11/36/205381136.db2.gz CRGRBYOTDGDSOO-UHFFFAOYSA-N 1 1 355.482 3.322 50 0 FGAAMO Cc1ccc(C[N@H+](C)CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1 ZINC000067678999 205381985 /nfs/dbraw/zinc/38/19/85/205381985.db2.gz BHVXTDWKGNNHGV-UHFFFAOYSA-N 1 1 352.482 3.057 50 0 FGAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1 ZINC000067678999 205381990 /nfs/dbraw/zinc/38/19/90/205381990.db2.gz BHVXTDWKGNNHGV-UHFFFAOYSA-N 1 1 352.482 3.057 50 0 FGAAMO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067714381 205386406 /nfs/dbraw/zinc/38/64/06/205386406.db2.gz FXPNUHFRJQMUPJ-LLVKDONJSA-N 1 1 359.430 3.131 50 0 FGAAMO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067714381 205386409 /nfs/dbraw/zinc/38/64/09/205386409.db2.gz FXPNUHFRJQMUPJ-LLVKDONJSA-N 1 1 359.430 3.131 50 0 FGAAMO O[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067726428 205388207 /nfs/dbraw/zinc/38/82/07/205388207.db2.gz VCPIGJOEGRQOOM-RBUKOAKNSA-N 1 1 362.429 3.314 50 0 FGAAMO Cc1cccc2nc(C3CC[NH+](Cc4c(CO)cnc(C)c4O)CC3)[nH]c21 ZINC000067743811 205389131 /nfs/dbraw/zinc/38/91/31/205389131.db2.gz VKGVIZMWTYEUBB-UHFFFAOYSA-N 1 1 366.465 3.152 50 0 FGAAMO Cc1cc(=O)oc2cc(C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)ccc12 ZINC000067872567 205399099 /nfs/dbraw/zinc/39/90/99/205399099.db2.gz VFMSVGDHKLEBDW-UHFFFAOYSA-N 1 1 366.417 3.043 50 0 FGAAMO Cc1cc(=O)oc2cc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)ccc12 ZINC000067872567 205399101 /nfs/dbraw/zinc/39/91/01/205399101.db2.gz VFMSVGDHKLEBDW-UHFFFAOYSA-N 1 1 366.417 3.043 50 0 FGAAMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)NCCSc1ccccn1 ZINC000095388245 205750283 /nfs/dbraw/zinc/75/02/83/205750283.db2.gz IPSQRPGKZARQIR-SFHVURJKSA-N 1 1 355.507 3.170 50 0 FGAAMO Cc1ccc([C@H](CNC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)[NH+](C)C)o1 ZINC000096180601 205846657 /nfs/dbraw/zinc/84/66/57/205846657.db2.gz NHXWOQJUZKRXMM-INIZCTEOSA-N 1 1 368.441 3.106 50 0 FGAAMO CCCCCc1nc([C@H](C)N2CC[NH+](C)CC2)n(-c2cc(C)ccn2)n1 ZINC000097784831 205926316 /nfs/dbraw/zinc/92/63/16/205926316.db2.gz APPGKSSGJGARNP-KRWDZBQOSA-N 1 1 356.518 3.012 50 0 FGAAMO Cc1ccc2cc(CN3CC[N@H+](C)[C@@H](CO)C3)c(-c3cccs3)nc2c1 ZINC000106944479 206018409 /nfs/dbraw/zinc/01/84/09/206018409.db2.gz SAIFSOLHPIXFGC-GOSISDBHSA-N 1 1 367.518 3.380 50 0 FGAAMO Cc1ccc2cc(C[N@H+]3CCN(C)[C@@H](CO)C3)c(-c3cccs3)nc2c1 ZINC000106944479 206018414 /nfs/dbraw/zinc/01/84/14/206018414.db2.gz SAIFSOLHPIXFGC-GOSISDBHSA-N 1 1 367.518 3.380 50 0 FGAAMO Cc1ccc2cc(C[N@@H+]3CCN(C)[C@@H](CO)C3)c(-c3cccs3)nc2c1 ZINC000106944479 206018417 /nfs/dbraw/zinc/01/84/17/206018417.db2.gz SAIFSOLHPIXFGC-GOSISDBHSA-N 1 1 367.518 3.380 50 0 FGAAMO CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000106455107 206014812 /nfs/dbraw/zinc/01/48/12/206014812.db2.gz QUHSHZDWFTYFQF-QFIPXVFZSA-N 1 1 365.521 3.072 50 0 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COc1cccc([C@@H]2CC[N@@H+](Cc3cccc4nsnc43)C[C@H]2O)c1 ZINC000065394875 205344923 /nfs/dbraw/zinc/34/49/23/205344923.db2.gz PRDZHTVNPPISJA-FUHWJXTLSA-N 1 1 355.463 3.050 50 0 FGAAMO C[C@@]1(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000067589093 205376781 /nfs/dbraw/zinc/37/67/81/205376781.db2.gz KNHNSLTVAGJITJ-JOCHJYFZSA-N 1 1 366.509 3.096 50 0 FGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC[C@@H]2C)nc1 ZINC000067675251 205382107 /nfs/dbraw/zinc/38/21/07/205382107.db2.gz KAILXCALVYXVNZ-INIZCTEOSA-N 1 1 355.486 3.210 50 0 FGAAMO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)[C@H]1CSc2ccccc2O1 ZINC000071853812 205451903 /nfs/dbraw/zinc/45/19/03/205451903.db2.gz JZCLVGGWTQTSNH-CRAIPNDOSA-N 1 1 360.523 3.453 50 0 FGAAMO O=C(Nc1ccc(Cl)c2ncccc12)N1CCC([NH+]2CCOCC2)CC1 ZINC000096132609 205828265 /nfs/dbraw/zinc/82/82/65/205828265.db2.gz SXFHXRREMYXBJX-UHFFFAOYSA-N 1 1 374.872 3.217 50 0 FGAAMO O[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000108401992 206030485 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/nfs/dbraw/zinc/12/60/66/136126066.db2.gz OLRGPSWVOXUAPT-UHFFFAOYSA-N 1 1 370.460 3.342 50 0 FGAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000055111901 136126131 /nfs/dbraw/zinc/12/61/31/136126131.db2.gz MGYJLFMLOIGFNI-UHFFFAOYSA-N 1 1 367.537 3.141 50 0 FGAAMO Nc1cc(N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)nc[nH+]1 ZINC000071681577 136139577 /nfs/dbraw/zinc/13/95/77/136139577.db2.gz PSUIRJXAABBKFT-MRXNPFEDSA-N 1 1 358.445 3.410 50 0 FGAAMO COc1ccc(C[C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CCO2)cc1 ZINC000019781910 263376387 /nfs/dbraw/zinc/37/63/87/263376387.db2.gz CSBJJIKSAYRZTM-QFIPXVFZSA-N 1 1 363.461 3.324 50 0 FGAAMO COc1ccc(C[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CCO2)cc1 ZINC000019781910 263376390 /nfs/dbraw/zinc/37/63/90/263376390.db2.gz CSBJJIKSAYRZTM-QFIPXVFZSA-N 1 1 363.461 3.324 50 0 FGAAMO Cc1c2ccccc2oc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027991979 493771126 /nfs/dbraw/zinc/77/11/26/493771126.db2.gz BCIHZAGBFVEFHH-UHFFFAOYSA-N 1 1 369.509 3.421 50 0 FGAAMO Cc1ccc(OCC[N@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000028901532 493806076 /nfs/dbraw/zinc/80/60/76/493806076.db2.gz SBKZREDJSHSNRW-UHFFFAOYSA-N 1 1 356.422 3.063 50 0 FGAAMO COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000076046878 493812425 /nfs/dbraw/zinc/81/24/25/493812425.db2.gz RDTZQVNBGNDWMR-LBPRGKRZSA-N 1 1 374.312 3.021 50 0 FGAAMO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCc2ccccc21 ZINC000029489135 493841449 /nfs/dbraw/zinc/84/14/49/493841449.db2.gz FVVCTCHXFCMARO-HXUWFJFHSA-N 1 1 363.461 3.371 50 0 FGAAMO CC(C)CCNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955389 493914834 /nfs/dbraw/zinc/91/48/34/493914834.db2.gz VVSPRVOTLDEOQZ-UHFFFAOYSA-N 1 1 356.470 3.111 50 0 FGAAMO CC(C)(C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O)N1CCCCC1 ZINC000082136911 493981105 /nfs/dbraw/zinc/98/11/05/493981105.db2.gz FLALCGBUAXVIPX-UHFFFAOYSA-N 1 1 356.514 3.150 50 0 FGAAMO c1c(CNc2ncnc3c2CCC3)nn2c1C[N@@H+](C1CCCCC1)CCC2 ZINC000082146632 493981162 /nfs/dbraw/zinc/98/11/62/493981162.db2.gz 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FGAAMO COc1ccc(O)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000095389259 209045816 /nfs/dbraw/zinc/04/58/16/209045816.db2.gz XMRLGZNHUXUUHZ-ZWKOTPCHSA-N 1 1 366.461 3.137 50 0 FGAAMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095366404 209031505 /nfs/dbraw/zinc/03/15/05/209031505.db2.gz FERUVCLHAOGGEV-FXAWDEMLSA-N 1 1 369.896 3.401 50 0 FGAAMO COc1ccc2c(c1)CCN(C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000095378493 209038851 /nfs/dbraw/zinc/03/88/51/209038851.db2.gz JEZBTCOQBMKRFQ-FQEVSTJZSA-N 1 1 356.441 3.064 50 0 FGAAMO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000095379208 209039351 /nfs/dbraw/zinc/03/93/51/209039351.db2.gz ZVISGQCJMRSYOB-QMUYELLFSA-N 1 1 354.473 3.467 50 0 FGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095380264 209040251 /nfs/dbraw/zinc/04/02/51/209040251.db2.gz JAKQWTHUPNPPQD-GOSISDBHSA-N 1 1 369.513 3.238 50 0 FGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000095381445 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Cc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000029882094 493864739 /nfs/dbraw/zinc/86/47/39/493864739.db2.gz ZGFCWPKAPNDGIC-ZHACJKMWSA-N 1 1 350.462 3.157 50 0 FGAAMO COc1cccc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000030153649 493878614 /nfs/dbraw/zinc/87/86/14/493878614.db2.gz IAERISBCLQFNIQ-UHFFFAOYSA-N 1 1 367.493 3.150 50 0 FGAAMO CC(=O)NC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000050993246 493941200 /nfs/dbraw/zinc/94/12/00/493941200.db2.gz WOEFPWGURAEYHT-FQEVSTJZSA-N 1 1 369.440 3.106 50 0 FGAAMO O=C(CCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000069351987 493961782 /nfs/dbraw/zinc/96/17/82/493961782.db2.gz VOXQRFJCCOOCBY-HXUWFJFHSA-N 1 1 350.462 3.499 50 0 FGAAMO C[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000069415534 493969023 /nfs/dbraw/zinc/96/90/23/493969023.db2.gz TVHKYVNZIHEPQL-CABCVRRESA-N 1 1 358.511 3.385 50 0 FGAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1Nc1ccccc1F ZINC000069492597 493975738 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CCc1nc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2nc1CC ZINC000006917912 493987185 /nfs/dbraw/zinc/98/71/85/493987185.db2.gz CBCGDWKXBNOMGU-HNNXBMFYSA-N 1 1 354.498 3.359 50 0 FGAAMO CC[C@@H](CNC(=O)Cc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445889 493990180 /nfs/dbraw/zinc/99/01/80/493990180.db2.gz CEZCCUWEHUKXLA-FQEVSTJZSA-N 1 1 352.478 3.191 50 0 FGAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)Cc1sccc1C ZINC000032721087 494008114 /nfs/dbraw/zinc/00/81/14/494008114.db2.gz YEVBZPSWGHGWEY-MRXNPFEDSA-N 1 1 363.479 3.139 50 0 FGAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000032759956 494013600 /nfs/dbraw/zinc/01/36/00/494013600.db2.gz PASSIOIVBDNPNZ-UHFFFAOYSA-N 1 1 365.433 3.463 50 0 FGAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000032842954 494020857 /nfs/dbraw/zinc/02/08/57/494020857.db2.gz NSSIZCKZSXKMKL-DRDHIDPGSA-N 1 1 371.308 3.480 50 0 FGAAMO CCN(C(=O)CCc1nc(C2=CC[N@@H+](C)CC2)no1)c1ccccc1C ZINC000033069143 494040436 /nfs/dbraw/zinc/04/04/36/494040436.db2.gz JRIYIUKWPRIYLX-UHFFFAOYSA-N 1 1 354.454 3.083 50 0 FGAAMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000007782548 494041369 /nfs/dbraw/zinc/04/13/69/494041369.db2.gz XDQJJHXSPKMREI-MRXNPFEDSA-N 1 1 358.457 3.404 50 0 FGAAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000007782548 494041373 /nfs/dbraw/zinc/04/13/73/494041373.db2.gz XDQJJHXSPKMREI-MRXNPFEDSA-N 1 1 358.457 3.404 50 0 FGAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000007802770 494043771 /nfs/dbraw/zinc/04/37/71/494043771.db2.gz WMFQHVRZTHKQHI-WSBVUWKFSA-N 1 1 359.470 3.113 50 0 FGAAMO C[N@@H+](CCNC(=O)c1[nH]nc2c1CCc1ccccc1-2)C1CCCCC1 ZINC000033265829 494054394 /nfs/dbraw/zinc/05/43/94/494054394.db2.gz AAGRYCPNMOEWCR-UHFFFAOYSA-N 1 1 352.482 3.170 50 0 FGAAMO O=C1CC[C@@]2(CCC[N@H+](CCN3CCCC3)C2)CN1CCc1ccccc1 ZINC000077406379 494076023 /nfs/dbraw/zinc/07/60/23/494076023.db2.gz CDNFDIRMBRMVOG-HSZRJFAPSA-N 1 1 369.553 3.030 50 0 FGAAMO O=C1CC[C@@]2(CCC[N@@H+](CCN3CCCC3)C2)CN1CCc1ccccc1 ZINC000077406379 494076027 /nfs/dbraw/zinc/07/60/27/494076027.db2.gz CDNFDIRMBRMVOG-HSZRJFAPSA-N 1 1 369.553 3.030 50 0 FGAAMO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000008225935 494077670 /nfs/dbraw/zinc/07/76/70/494077670.db2.gz WZIAUCMGUCNMHF-OAHLLOKOSA-N 1 1 354.450 3.479 50 0 FGAAMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000008225935 494077671 /nfs/dbraw/zinc/07/76/71/494077671.db2.gz WZIAUCMGUCNMHF-OAHLLOKOSA-N 1 1 354.450 3.479 50 0 FGAAMO Cn1nc(C(=O)NCC[N@@H+](C)C2CCCCC2)c2c1-c1ccsc1CC2 ZINC000035504943 494078662 /nfs/dbraw/zinc/07/86/62/494078662.db2.gz JBLKZUSDVYEURT-UHFFFAOYSA-N 1 1 372.538 3.242 50 0 FGAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C2CC2)c1OC ZINC000036032137 494084401 /nfs/dbraw/zinc/08/44/01/494084401.db2.gz QEAYRVTTZZICIY-LJQANCHMSA-N 1 1 371.477 3.417 50 0 FGAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103557 494086137 /nfs/dbraw/zinc/08/61/37/494086137.db2.gz JGFDRGONJSRSDF-HXUWFJFHSA-N 1 1 371.477 3.451 50 0 FGAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)c(C)c1=O ZINC000077458119 494087307 /nfs/dbraw/zinc/08/73/07/494087307.db2.gz LZGDXWIEVZZXQD-QFIPXVFZSA-N 1 1 373.541 3.242 50 0 FGAAMO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1C ZINC000008752062 494103457 /nfs/dbraw/zinc/10/34/57/494103457.db2.gz MTQKGFPDDMHYGU-KRWDZBQOSA-N 1 1 370.449 3.447 50 0 FGAAMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1C ZINC000008752062 494103461 /nfs/dbraw/zinc/10/34/61/494103461.db2.gz MTQKGFPDDMHYGU-KRWDZBQOSA-N 1 1 370.449 3.447 50 0 FGAAMO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000008746772 494103503 /nfs/dbraw/zinc/10/35/03/494103503.db2.gz QGFNENKRIGBNKX-MRXNPFEDSA-N 1 1 355.507 3.016 50 0 FGAAMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000008746772 494103509 /nfs/dbraw/zinc/10/35/09/494103509.db2.gz QGFNENKRIGBNKX-MRXNPFEDSA-N 1 1 355.507 3.016 50 0 FGAAMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)ccc1F ZINC000008899969 494108444 /nfs/dbraw/zinc/10/84/44/494108444.db2.gz XLSUJBFLWJNDMG-KRWDZBQOSA-N 1 1 368.499 3.311 50 0 FGAAMO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000053391535 494124516 /nfs/dbraw/zinc/12/45/16/494124516.db2.gz QGBKZAJGNMTBSA-MRXNPFEDSA-N 1 1 362.562 3.325 50 0 FGAAMO Cc1[nH]c2c(c1C(=O)N1CCC[N@@H+](CC3CC3)[C@H](C(C)C)C1)C(=O)CCC2 ZINC000072121020 494128143 /nfs/dbraw/zinc/12/81/43/494128143.db2.gz KCMFWWWVZDEYEC-SFHVURJKSA-N 1 1 371.525 3.425 50 0 FGAAMO C[N@@H+](CCCNC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000040069012 494128635 /nfs/dbraw/zinc/12/86/35/494128635.db2.gz YHOLQJJXGUIVGC-UHFFFAOYSA-N 1 1 366.509 3.040 50 0 FGAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)CCCc2cccs2)CC1 ZINC000040089780 494131156 /nfs/dbraw/zinc/13/11/56/494131156.db2.gz QVOSEFAJJKHVNJ-UHFFFAOYSA-N 1 1 371.550 3.135 50 0 FGAAMO CCc1nn(C)c(Cl)c1CN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000072133062 494131162 /nfs/dbraw/zinc/13/11/62/494131162.db2.gz TUIDXHBGWXADAB-UHFFFAOYSA-N 1 1 364.896 3.483 50 0 FGAAMO COCCc1noc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3OC)CCC4)C2)n1 ZINC000072137178 494132357 /nfs/dbraw/zinc/13/23/57/494132357.db2.gz BQEHKUYVEXPPCZ-QGZVFWFLSA-N 1 1 371.481 3.135 50 0 FGAAMO O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CC[NH+](C2CCCCC2)CC1 ZINC000009728247 494132369 /nfs/dbraw/zinc/13/23/69/494132369.db2.gz BKPRAOXHWHDLMU-UHFFFAOYSA-N 1 1 364.493 3.266 50 0 FGAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2cccs2)C[C@H](C)O1 ZINC000040121450 494134693 /nfs/dbraw/zinc/13/46/93/494134693.db2.gz PJBYSVBZEBJKBC-HOTGVXAUSA-N 1 1 358.507 3.216 50 0 FGAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(S(C)(=O)=O)C3)C2)cc1 ZINC000072159173 494138528 /nfs/dbraw/zinc/13/85/28/494138528.db2.gz IKWPTVGJSGQMDK-IBGZPJMESA-N 1 1 350.528 3.058 50 0 FGAAMO Cc1noc(C)c1CN1CCCn2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072163419 494140345 /nfs/dbraw/zinc/14/03/45/494140345.db2.gz DFVHYCLSTBINBJ-MJGOQNOKSA-N 1 1 369.513 3.268 50 0 FGAAMO Fc1cc(F)cc([C@@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167878 494142101 /nfs/dbraw/zinc/14/21/01/494142101.db2.gz BBXRDOTZJVOGDT-PWRODBHTSA-N 1 1 355.432 3.422 50 0 FGAAMO CC(=O)Nc1ccsc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000072174497 494144494 /nfs/dbraw/zinc/14/44/94/494144494.db2.gz LQPQERYECXHTCC-QGZVFWFLSA-N 1 1 371.506 3.443 50 0 FGAAMO O=C(C[C@@H]1COCC[N@@H+]1Cc1ccccc1-c1ccco1)N1CCCC1 ZINC000072424322 494170016 /nfs/dbraw/zinc/17/00/16/494170016.db2.gz OEWQAPLHMHYWNA-GOSISDBHSA-N 1 1 354.450 3.160 50 0 FGAAMO O=C(C[C@@H]1COCC[N@H+]1Cc1ccccc1-c1ccco1)N1CCCC1 ZINC000072424322 494170019 /nfs/dbraw/zinc/17/00/19/494170019.db2.gz OEWQAPLHMHYWNA-GOSISDBHSA-N 1 1 354.450 3.160 50 0 FGAAMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)cn1 ZINC000072447897 494176367 /nfs/dbraw/zinc/17/63/67/494176367.db2.gz MJXOTPFHLKQORT-VQTJNVASSA-N 1 1 356.514 3.124 50 0 FGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000011946975 494197898 /nfs/dbraw/zinc/19/78/98/494197898.db2.gz RKEIZRIOTWBZBD-LJQANCHMSA-N 1 1 366.461 3.081 50 0 FGAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000012075973 494202679 /nfs/dbraw/zinc/20/26/79/494202679.db2.gz HBZPFSZYZUTRHF-QFIPXVFZSA-N 1 1 368.477 3.478 50 0 FGAAMO COc1ccc(OCC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054226329 494210228 /nfs/dbraw/zinc/21/02/28/494210228.db2.gz HGLNKRHPTFOUTI-WMZOPIPTSA-N 1 1 354.450 3.026 50 0 FGAAMO CN(C(=O)CCc1cccnc1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012205540 494213515 /nfs/dbraw/zinc/21/35/15/494213515.db2.gz FJVYNDQEPPARNP-IBGZPJMESA-N 1 1 355.457 3.276 50 0 FGAAMO CN(C(=O)CCc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012205540 494213520 /nfs/dbraw/zinc/21/35/20/494213520.db2.gz FJVYNDQEPPARNP-IBGZPJMESA-N 1 1 355.457 3.276 50 0 FGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012223808 494215967 /nfs/dbraw/zinc/21/59/67/494215967.db2.gz OYAQRMRASBVRLQ-JOCHJYFZSA-N 1 1 371.452 3.430 50 0 FGAAMO Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)nc2ccccc21 ZINC000012446481 494233353 /nfs/dbraw/zinc/23/33/53/494233353.db2.gz OTWOYAKCDKGMRS-HNNXBMFYSA-N 1 1 368.506 3.277 50 0 FGAAMO Cn1c(C[N@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)nc2ccccc21 ZINC000012446481 494233356 /nfs/dbraw/zinc/23/33/56/494233356.db2.gz OTWOYAKCDKGMRS-HNNXBMFYSA-N 1 1 368.506 3.277 50 0 FGAAMO O=C(NC[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012444362 494233365 /nfs/dbraw/zinc/23/33/65/494233365.db2.gz OHLQVQMJGWYAEK-OAHLLOKOSA-N 1 1 372.900 3.123 50 0 FGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012444362 494233366 /nfs/dbraw/zinc/23/33/66/494233366.db2.gz OHLQVQMJGWYAEK-OAHLLOKOSA-N 1 1 372.900 3.123 50 0 FGAAMO O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012552265 494241229 /nfs/dbraw/zinc/24/12/29/494241229.db2.gz PCZHUGXGYRTUOU-RJRNSMGGSA-N 1 1 372.472 3.276 50 0 FGAAMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000012738713 494252861 /nfs/dbraw/zinc/25/28/61/494252861.db2.gz SHUYYLPPHVVTKA-UHFFFAOYSA-N 1 1 356.470 3.467 50 0 FGAAMO c1ccc2c(c1)CC([N@@H+]1CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C1)C2 ZINC000043041565 494259378 /nfs/dbraw/zinc/25/93/78/494259378.db2.gz JMOGXZBRPPTICS-UHFFFAOYSA-N 1 1 359.429 3.331 50 0 FGAAMO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000054991864 494288726 /nfs/dbraw/zinc/28/87/26/494288726.db2.gz PQARBXFTGZGTMC-LJQANCHMSA-N 1 1 372.534 3.323 50 0 FGAAMO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC000055107655 494301729 /nfs/dbraw/zinc/30/17/29/494301729.db2.gz FLMXUOHJRDKEJR-UHFFFAOYSA-N 1 1 358.445 3.102 50 0 FGAAMO c1ccc2oc(N3CCN(C[C@@H]4CCC[N@H+]5CCCC[C@H]45)CC3)nc2c1 ZINC000055154237 494307148 /nfs/dbraw/zinc/30/71/48/494307148.db2.gz XLGXWVRFOZBZIJ-PKOBYXMFSA-N 1 1 354.498 3.214 50 0 FGAAMO C[C@H]1CN(C(=O)C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000055176201 494310471 /nfs/dbraw/zinc/31/04/71/494310471.db2.gz MVDRDUFKPWGGTQ-KKSFZXQISA-N 1 1 356.441 3.094 50 0 FGAAMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000055176201 494310473 /nfs/dbraw/zinc/31/04/73/494310473.db2.gz MVDRDUFKPWGGTQ-KKSFZXQISA-N 1 1 356.441 3.094 50 0 FGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000043859967 494325379 /nfs/dbraw/zinc/32/53/79/494325379.db2.gz KOUSYFATWKZYOT-OALUTQOASA-N 1 1 358.530 3.077 50 0 FGAAMO COc1ccc(OC)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000015170465 494342096 /nfs/dbraw/zinc/34/20/96/494342096.db2.gz YPQFUTWAAJIUTP-UHFFFAOYSA-N 1 1 370.478 3.031 50 0 FGAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)c1 ZINC000023379453 494563056 /nfs/dbraw/zinc/56/30/56/494563056.db2.gz BXZLQWYDSIAVPF-UHFFFAOYSA-N 1 1 361.445 3.298 50 0 FGAAMO CCCCC(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091486197 494610461 /nfs/dbraw/zinc/61/04/61/494610461.db2.gz SPDLLPJYPVYMNI-UHFFFAOYSA-N 1 1 361.534 3.087 50 0 FGAAMO Cc1ccc(OCc2occc2C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc1 ZINC000091493265 494611003 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Cc1cc[nH+]c(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1 ZINC000072429457 136146839 /nfs/dbraw/zinc/14/68/39/136146839.db2.gz ZAWIMTZNHGWHHO-NRFANRHFSA-N 1 1 350.466 3.194 50 0 FGAAMO Cc1nn(C)c(C)c1C[N@H+]1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072479016 136149533 /nfs/dbraw/zinc/14/95/33/136149533.db2.gz SXHJCUMTSZNAGK-UHFFFAOYSA-N 1 1 353.514 3.375 50 0 FGAAMO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000092065253 221835097 /nfs/dbraw/zinc/83/50/97/221835097.db2.gz VHHGVJFLGVBWJR-JKSUJKDBSA-N 1 1 354.454 3.059 50 0 FGAAMO Cc1ccc(NC(=O)N[C@H](C)Cc2ccsc2)cc1NC(=O)C[NH+](C)C ZINC000096140776 222044561 /nfs/dbraw/zinc/04/45/61/222044561.db2.gz YOTOIHOEKHUIRU-CQSZACIVSA-N 1 1 374.510 3.309 50 0 FGAAMO COc1ncccc1NC(=O)NCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000096148456 222050442 /nfs/dbraw/zinc/05/04/42/222050442.db2.gz YAPOKTXTIDWWHD-MRXNPFEDSA-N 1 1 354.454 3.010 50 0 FGAAMO CC(C)[NH+]1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000096915602 222139034 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FGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@H]2CCO)o1 ZINC000104353756 222356097 /nfs/dbraw/zinc/35/60/97/222356097.db2.gz NSOQJDZPBIMCFM-HXUWFJFHSA-N 1 1 365.477 3.205 50 0 FGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000105888707 222377949 /nfs/dbraw/zinc/37/79/49/222377949.db2.gz JXOHLWZZANGKDM-HUUCEWRRSA-N 1 1 374.448 3.258 50 0 FGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000105888707 222377954 /nfs/dbraw/zinc/37/79/54/222377954.db2.gz JXOHLWZZANGKDM-HUUCEWRRSA-N 1 1 374.448 3.258 50 0 FGAAMO CC[C@H]1CN(C(=O)CCc2ccc3ccccc3c2)CC[N@H+]1C[C@H](C)O ZINC000107506505 222395431 /nfs/dbraw/zinc/39/54/31/222395431.db2.gz YHLDYRWOJZZNCL-UWJYYQICSA-N 1 1 354.494 3.076 50 0 FGAAMO Cn1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)cn1 ZINC000011957753 263369370 /nfs/dbraw/zinc/36/93/70/263369370.db2.gz ZQQBFQLYOKLTFA-QFIPXVFZSA-N 1 1 372.557 3.248 50 0 FGAAMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C)c1 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0 FGAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(C)c1F ZINC000082086610 493977347 /nfs/dbraw/zinc/97/73/47/493977347.db2.gz JSCGVPHIMQKBMJ-OAQYLSRUSA-N 1 1 362.489 3.030 50 0 FGAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3ccc4occc4c3)C2)CCC1=O ZINC000082092566 493978686 /nfs/dbraw/zinc/97/86/86/493978686.db2.gz OQHCYBXFHOPBOT-NRFANRHFSA-N 1 1 356.466 3.284 50 0 FGAAMO CSc1cccc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)c1 ZINC000006800222 493980933 /nfs/dbraw/zinc/98/09/33/493980933.db2.gz FUFXKEJQMKVZOU-UHFFFAOYSA-N 1 1 358.467 3.082 50 0 FGAAMO CC[C@H](CNC(=O)Cc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445890 493989948 /nfs/dbraw/zinc/98/99/48/493989948.db2.gz CEZCCUWEHUKXLA-HXUWFJFHSA-N 1 1 352.478 3.191 50 0 FGAAMO Cc1ccc2oc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)c2c1 ZINC000032740479 494011690 /nfs/dbraw/zinc/01/16/90/494011690.db2.gz MRUGCZYXQBNYMY-QGZVFWFLSA-N 1 1 362.429 3.106 50 0 FGAAMO Cc1ccc2oc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)c2c1 ZINC000032740479 494011694 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CC(C)(C)c1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)[nH]n1 ZINC000077378458 494071161 /nfs/dbraw/zinc/07/11/61/494071161.db2.gz RVHIAUZNBRGRSF-NRFANRHFSA-N 1 1 358.530 3.322 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccc(F)cc1 ZINC000008319654 494083821 /nfs/dbraw/zinc/08/38/21/494083821.db2.gz IBYYXEKNOOSELC-SFHVURJKSA-N 1 1 370.424 3.050 50 0 FGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccc(F)cc1 ZINC000008319654 494083826 /nfs/dbraw/zinc/08/38/26/494083826.db2.gz IBYYXEKNOOSELC-SFHVURJKSA-N 1 1 370.424 3.050 50 0 FGAAMO Cc1ccccc1C[N@@H+](C[C@H](O)COCc1ccco1)C[C@@H]1CCCO1 ZINC000036100003 494087221 /nfs/dbraw/zinc/08/72/21/494087221.db2.gz IRJQJKNGCOPVSJ-PMACEKPBSA-N 1 1 359.466 3.147 50 0 FGAAMO Cc1ccc(CNC(=O)CC[N@H+]2CCC[C@@H]2c2nc(C(C)C)no2)cc1 ZINC000077470480 494089888 /nfs/dbraw/zinc/08/98/88/494089888.db2.gz GKUGRGDWTWGZPV-QGZVFWFLSA-N 1 1 356.470 3.345 50 0 FGAAMO Cc1ccc(CNC(=O)CC[N@@H+]2CCC[C@@H]2c2nc(C(C)C)no2)cc1 ZINC000077470480 494089893 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/nfs/dbraw/zinc/22/63/21/571226321.db2.gz OBMDYTKFGFOALR-HFSMHLIXSA-N 1 1 368.481 3.273 50 0 FGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1cccc1 ZINC000524730459 571258506 /nfs/dbraw/zinc/25/85/06/571258506.db2.gz JWSSEFROLLDYKL-VQTJNVASSA-N 1 1 361.530 3.008 50 0 FGAAMO O=C(C[NH2+]Cc1csc(C(F)(F)F)c1)N[C@@H]1CCOc2ccccc21 ZINC000888099928 739470426 /nfs/dbraw/zinc/47/04/26/739470426.db2.gz FCWJOIXRUAZPSD-CYBMUJFWSA-N 1 1 370.396 3.497 50 0 FGAAMO C[NH+](C)[C@H](C(=O)NCc1c[nH]nc1-c1cccs1)c1cccc(F)c1 ZINC000952967792 762537182 /nfs/dbraw/zinc/53/71/82/762537182.db2.gz DIVJPWBGLGPMJI-KRWDZBQOSA-N 1 1 358.442 3.196 50 0 FGAAMO O=C(CC[NH+]1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000299762684 223084695 /nfs/dbraw/zinc/08/46/95/223084695.db2.gz YFULYXBIMNVVOL-LJQANCHMSA-N 1 1 363.933 3.469 50 0 FGAAMO Cc1cnn(C2CCCC2)c1NC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000299783826 223095211 /nfs/dbraw/zinc/09/52/11/223095211.db2.gz XIKQBRLLUSSXGT-LJQANCHMSA-N 1 1 367.497 3.485 50 0 FGAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccccc1F ZINC000012696251 220018024 /nfs/dbraw/zinc/01/80/24/220018024.db2.gz FCKQGLLZTQMDSE-MAUKXSAKSA-N 1 1 360.454 3.131 50 0 FGAAMO Cc1ncoc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000012706975 220020240 /nfs/dbraw/zinc/02/02/40/220020240.db2.gz AXLXETSYOJGTPS-HXUWFJFHSA-N 1 1 357.429 3.250 50 0 FGAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012761543 220026424 /nfs/dbraw/zinc/02/64/24/220026424.db2.gz FMWFUYVAEOVMOK-LBPRGKRZSA-N 1 1 370.478 3.037 50 0 FGAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012761543 220026426 /nfs/dbraw/zinc/02/64/26/220026426.db2.gz FMWFUYVAEOVMOK-LBPRGKRZSA-N 1 1 370.478 3.037 50 0 FGAAMO COc1ccc(OC)c(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000012807267 220032437 /nfs/dbraw/zinc/03/24/37/220032437.db2.gz NWAPWRHTICEXMS-JTPHSUOKSA-N 1 1 366.461 3.232 50 0 FGAAMO COc1ccc(OC)c(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000012807267 220032440 /nfs/dbraw/zinc/03/24/40/220032440.db2.gz NWAPWRHTICEXMS-JTPHSUOKSA-N 1 1 366.461 3.232 50 0 FGAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012816747 220033793 /nfs/dbraw/zinc/03/37/93/220033793.db2.gz OILBGXCDALCWGC-AWEZNQCLSA-N 1 1 359.297 3.009 50 0 FGAAMO CC(C)(CNC(=O)Cc1ccc(-c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000014184557 220114789 /nfs/dbraw/zinc/11/47/89/220114789.db2.gz CRKXPXPSAPKFET-UHFFFAOYSA-N 1 1 352.478 3.123 50 0 FGAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)CC(C)C)C2 ZINC000014751631 220132208 /nfs/dbraw/zinc/13/22/08/220132208.db2.gz XCCSORLFPXDSCF-KRWDZBQOSA-N 1 1 360.546 3.364 50 0 FGAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)cs1 ZINC000014959134 220137532 /nfs/dbraw/zinc/13/75/32/220137532.db2.gz CEYWSDTXDZHVBB-UHFFFAOYSA-N 1 1 372.494 3.333 50 0 FGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000014978179 220139245 /nfs/dbraw/zinc/13/92/45/220139245.db2.gz PRXIHNFYUKNEJT-INIZCTEOSA-N 1 1 370.522 3.418 50 0 FGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+]1C1Cc2ccccc2C1 ZINC000015075028 220145265 /nfs/dbraw/zinc/14/52/65/220145265.db2.gz CHROQAZMZWVOIO-JOCHJYFZSA-N 1 1 372.472 3.443 50 0 FGAAMO Cc1oc(-c2cccc(C)c2)nc1CN1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000015074100 220145501 /nfs/dbraw/zinc/14/55/01/220145501.db2.gz FIHLKXJOQIYUDX-HXUWFJFHSA-N 1 1 369.509 3.380 50 0 FGAAMO Cc1ccc(S(=O)(=O)C[C@H](C)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019360042 220252803 /nfs/dbraw/zinc/25/28/03/220252803.db2.gz UIZKDSHCVHNTIL-SFHVURJKSA-N 1 1 364.555 3.108 50 0 FGAAMO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n[nH]1 ZINC000020598485 220334548 /nfs/dbraw/zinc/33/45/48/220334548.db2.gz LWBBKJAJZUXNLU-HXUWFJFHSA-N 1 1 366.509 3.135 50 0 FGAAMO C[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000021236567 220354298 /nfs/dbraw/zinc/35/42/98/220354298.db2.gz LKQPOGKLZYHWFG-UHFFFAOYSA-N 1 1 366.490 3.048 50 0 FGAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc3ccccc3cc2O)C[C@@H](C)O1 ZINC000021054887 220350993 /nfs/dbraw/zinc/35/09/93/220350993.db2.gz AEFVBQJFVJRUJL-HUUCEWRRSA-N 1 1 356.466 3.163 50 0 FGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2)CC1 ZINC000022028166 220373439 /nfs/dbraw/zinc/37/34/39/220373439.db2.gz KMWNYNGALKAJGS-UHFFFAOYSA-N 1 1 373.294 3.428 50 0 FGAAMO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c2ccccc2n1 ZINC000022375464 220384404 /nfs/dbraw/zinc/38/44/04/220384404.db2.gz UWDBTHHFUFAKPG-UHFFFAOYSA-N 1 1 367.493 3.308 50 0 FGAAMO Cc1cc2occ(CC(=O)NCCC[NH+]3CCOCC3)c2c(C)c1Cl ZINC000022708938 220395233 /nfs/dbraw/zinc/39/52/33/220395233.db2.gz BKFRTLHDBUJZRI-UHFFFAOYSA-N 1 1 364.873 3.084 50 0 FGAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000022694056 220395471 /nfs/dbraw/zinc/39/54/71/220395471.db2.gz DXPRAZAYOAIYKJ-GOSISDBHSA-N 1 1 352.478 3.025 50 0 FGAAMO C[N@@H+]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000048172061 221000293 /nfs/dbraw/zinc/00/02/93/221000293.db2.gz SRZZHOWRYQMIFO-IBGZPJMESA-N 1 1 365.481 3.202 50 0 FGAAMO C[N@H+]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000048172061 221000296 /nfs/dbraw/zinc/00/02/96/221000296.db2.gz SRZZHOWRYQMIFO-IBGZPJMESA-N 1 1 365.481 3.202 50 0 FGAAMO C[NH+]1CCN(CCCCNC(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000048192597 221000654 /nfs/dbraw/zinc/00/06/54/221000654.db2.gz DGCAYZGLOCJOEK-UHFFFAOYSA-N 1 1 372.340 3.070 50 0 FGAAMO O=c1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)nc2sccn21 ZINC000050963897 221033179 /nfs/dbraw/zinc/03/31/79/221033179.db2.gz STVNEUIRRBQAAY-KRWDZBQOSA-N 1 1 373.453 3.076 50 0 FGAAMO O=c1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)nc2sccn21 ZINC000050963897 221033180 /nfs/dbraw/zinc/03/31/80/221033180.db2.gz STVNEUIRRBQAAY-KRWDZBQOSA-N 1 1 373.453 3.076 50 0 FGAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)c1 ZINC000055120502 221059900 /nfs/dbraw/zinc/05/99/00/221059900.db2.gz AOBVKDGJMVBXLM-INIZCTEOSA-N 1 1 351.406 3.326 50 0 FGAAMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000055176198 221060813 /nfs/dbraw/zinc/06/08/13/221060813.db2.gz MVDRDUFKPWGGTQ-IERDGZPVSA-N 1 1 356.441 3.094 50 0 FGAAMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000055176198 221060816 /nfs/dbraw/zinc/06/08/16/221060816.db2.gz MVDRDUFKPWGGTQ-IERDGZPVSA-N 1 1 356.441 3.094 50 0 FGAAMO COCCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055244823 221063604 /nfs/dbraw/zinc/06/36/04/221063604.db2.gz FIKDTSOJNNIHEP-INIZCTEOSA-N 1 1 362.495 3.228 50 0 FGAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSCc2ccncc2)C1 ZINC000054227948 221050970 /nfs/dbraw/zinc/05/09/70/221050970.db2.gz KCGGXTFLMCOWCB-LPHOPBHVSA-N 1 1 355.507 3.267 50 0 FGAAMO COc1ccc(OCC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000054226333 221051202 /nfs/dbraw/zinc/05/12/02/221051202.db2.gz HGLNKRHPTFOUTI-AEFFLSMTSA-N 1 1 354.450 3.026 50 0 FGAAMO CCC(=O)Nc1ccc(NC(=O)C[C@H]2C[N@H+](C(C)C)CCO2)cc1Cl ZINC000055393074 221068077 /nfs/dbraw/zinc/06/80/77/221068077.db2.gz XCCVIFVRAFDZFL-AWEZNQCLSA-N 1 1 367.877 3.126 50 0 FGAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3nccs3)CC2)c(C)c1 ZINC000058162960 221100699 /nfs/dbraw/zinc/10/06/99/221100699.db2.gz PCWJZPJRJFRIIG-MRXNPFEDSA-N 1 1 358.511 3.299 50 0 FGAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3nccs3)CC2)c(C)c1 ZINC000058162960 221100702 /nfs/dbraw/zinc/10/07/02/221100702.db2.gz PCWJZPJRJFRIIG-MRXNPFEDSA-N 1 1 358.511 3.299 50 0 FGAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCc2ccccc2)c1 ZINC000058168217 221101705 /nfs/dbraw/zinc/10/17/05/221101705.db2.gz XNMRKJBYYZJWKK-HXUWFJFHSA-N 1 1 365.477 3.098 50 0 FGAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCc2ccccc2)c1 ZINC000058168217 221101708 /nfs/dbraw/zinc/10/17/08/221101708.db2.gz XNMRKJBYYZJWKK-HXUWFJFHSA-N 1 1 365.477 3.098 50 0 FGAAMO CCc1nc(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)sc1C ZINC000060360276 221130009 /nfs/dbraw/zinc/13/00/09/221130009.db2.gz OWZVIXJIFFPIQG-SFHVURJKSA-N 1 1 357.523 3.337 50 0 FGAAMO Cc1c(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)c2ccccc2n1CC(N)=O ZINC000063832435 221143928 /nfs/dbraw/zinc/14/39/28/221143928.db2.gz ZOLUDCBEWSZEMQ-INIZCTEOSA-N 1 1 364.493 3.201 50 0 FGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1c(C)cccc1C)OCCO3 ZINC000064794998 221152570 /nfs/dbraw/zinc/15/25/70/221152570.db2.gz OJLDNURMNZQNHS-UHFFFAOYSA-N 1 1 351.406 3.371 50 0 FGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(C)c(C)c1)OCCO3 ZINC000064795001 221152634 /nfs/dbraw/zinc/15/26/34/221152634.db2.gz XRHLTYNNKPIMMT-UHFFFAOYSA-N 1 1 351.406 3.371 50 0 FGAAMO O=C(C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1)NC1CCCCC1 ZINC000065184209 221176003 /nfs/dbraw/zinc/17/60/03/221176003.db2.gz FAHQTJOZGWUEDG-UHFFFAOYSA-N 1 1 368.481 3.365 50 0 FGAAMO Cc1ccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)c(-n2cccn2)c1 ZINC000065373821 221205300 /nfs/dbraw/zinc/20/53/00/221205300.db2.gz KMUFRONTFUUHKM-JOCHJYFZSA-N 1 1 363.461 3.213 50 0 FGAAMO COc1ccc(-n2ccnc2C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000065423084 221217470 /nfs/dbraw/zinc/21/74/70/221217470.db2.gz VVVAAGJDEFHNFP-GOSISDBHSA-N 1 1 351.454 3.141 50 0 FGAAMO COc1ccc(-n2ccnc2C[N@H+]2CC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000065423084 221217472 /nfs/dbraw/zinc/21/74/72/221217472.db2.gz VVVAAGJDEFHNFP-GOSISDBHSA-N 1 1 351.454 3.141 50 0 FGAAMO O=C(Nc1ccc2c(c1)CCC2=O)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000065532646 221233034 /nfs/dbraw/zinc/23/30/34/221233034.db2.gz MRZWDTIBAJTXIE-IBGZPJMESA-N 1 1 364.445 3.025 50 0 FGAAMO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000067121843 221247604 /nfs/dbraw/zinc/24/76/04/221247604.db2.gz QYLJSZSKRYVMRM-HXUWFJFHSA-N 1 1 369.484 3.121 50 0 FGAAMO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000067121843 221247608 /nfs/dbraw/zinc/24/76/08/221247608.db2.gz QYLJSZSKRYVMRM-HXUWFJFHSA-N 1 1 369.484 3.121 50 0 FGAAMO CCc1cccc(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000067442713 221254529 /nfs/dbraw/zinc/25/45/29/221254529.db2.gz LFJAPGSQVMXAHV-UHFFFAOYSA-N 1 1 363.465 3.110 50 0 FGAAMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 ZINC000067588576 221260959 /nfs/dbraw/zinc/26/09/59/221260959.db2.gz KWRPMIAAIDHIOY-FCHUYYIVSA-N 1 1 360.457 3.289 50 0 FGAAMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3nncs3)c2)C1 ZINC000067855340 221294904 /nfs/dbraw/zinc/29/49/04/221294904.db2.gz JCSLEAWRVMJVPJ-MRXNPFEDSA-N 1 1 360.483 3.181 50 0 FGAAMO COc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cn1cccn1 ZINC000067855584 221295543 /nfs/dbraw/zinc/29/55/43/221295543.db2.gz ALSODGUBFFITMP-FPOVZHCZSA-N 1 1 355.482 3.067 50 0 FGAAMO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C)C2 ZINC000067879543 221300378 /nfs/dbraw/zinc/30/03/78/221300378.db2.gz WXGIPUZCKVUZJI-QFIPXVFZSA-N 1 1 366.509 3.340 50 0 FGAAMO CCn1ccnc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C)C2 ZINC000067879543 221300381 /nfs/dbraw/zinc/30/03/81/221300381.db2.gz WXGIPUZCKVUZJI-QFIPXVFZSA-N 1 1 366.509 3.340 50 0 FGAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 ZINC000067955282 221309436 /nfs/dbraw/zinc/30/94/36/221309436.db2.gz SLOVJFKDDXAXRD-HNNXBMFYSA-N 1 1 362.433 3.215 50 0 FGAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 ZINC000067955282 221309439 /nfs/dbraw/zinc/30/94/39/221309439.db2.gz SLOVJFKDDXAXRD-HNNXBMFYSA-N 1 1 362.433 3.215 50 0 FGAAMO CCCN(C(=O)NC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000069432427 221325125 /nfs/dbraw/zinc/32/51/25/221325125.db2.gz NSQKOKWQDHKEHJ-PMACEKPBSA-N 1 1 359.514 3.252 50 0 FGAAMO CC(C)[N@@H+](C)CC(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000071314957 221342056 /nfs/dbraw/zinc/34/20/56/221342056.db2.gz GENZHPGCCDPVSU-UHFFFAOYSA-N 1 1 358.461 3.262 50 0 FGAAMO CC(C)[N@H+](C)CC(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000071314957 221342059 /nfs/dbraw/zinc/34/20/59/221342059.db2.gz GENZHPGCCDPVSU-UHFFFAOYSA-N 1 1 358.461 3.262 50 0 FGAAMO CC(C)[N@@H+](C)CC(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000071314957 221342060 /nfs/dbraw/zinc/34/20/60/221342060.db2.gz GENZHPGCCDPVSU-UHFFFAOYSA-N 1 1 358.461 3.262 50 0 FGAAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CCC(=O)N1CC1CC1 ZINC000071747335 221359376 /nfs/dbraw/zinc/35/93/76/221359376.db2.gz ANPSVYUJOAWBCG-NRFANRHFSA-N 1 1 366.509 3.341 50 0 FGAAMO c1ccc([C@@H]2C[N@H+](Cc3cccc4nonc43)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071752078 221364365 /nfs/dbraw/zinc/36/43/65/221364365.db2.gz OTXMOYQSJMGIRI-VLCRHTCISA-N 1 1 360.461 3.285 50 0 FGAAMO CNc1nc(C)c(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)s1 ZINC000071760397 221368318 /nfs/dbraw/zinc/36/83/18/221368318.db2.gz CGCZRYQGXYQRNP-OAHLLOKOSA-N 1 1 350.532 3.076 50 0 FGAAMO CCN1CCN(c2cc(C[NH2+][C@@H](C)c3cccc(OC)c3)ccn2)CC1 ZINC000095407535 132210828 /nfs/dbraw/zinc/21/08/28/132210828.db2.gz WHCMSNGQHQDGJS-KRWDZBQOSA-N 1 1 354.498 3.083 50 0 FGAAMO COc1ccc(C[NH+]2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1 ZINC000095453241 132211052 /nfs/dbraw/zinc/21/10/52/132211052.db2.gz IVULXXRJJRJSAI-UHFFFAOYSA-N 1 1 358.873 3.338 50 0 FGAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](O)CC3)CC2)nc(-c2ccccc2)n1 ZINC000096162222 132221619 /nfs/dbraw/zinc/22/16/19/132221619.db2.gz AZUBQGAENRFXEE-HXUWFJFHSA-N 1 1 366.509 3.268 50 0 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50 0 FGAAMO C[C@@H]1C[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000012531885 220003845 /nfs/dbraw/zinc/00/38/45/220003845.db2.gz SHNRXNHLXFMKGQ-LVCYWYKZSA-N 1 1 355.478 3.263 50 0 FGAAMO C[N@H+](CCCn1cccn1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012576352 220010071 /nfs/dbraw/zinc/01/00/71/220010071.db2.gz OCLGTPPJTOYHMT-FQEVSTJZSA-N 1 1 358.505 3.299 50 0 FGAAMO C[N@@H+](CCCn1cccn1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012576352 220010074 /nfs/dbraw/zinc/01/00/74/220010074.db2.gz OCLGTPPJTOYHMT-FQEVSTJZSA-N 1 1 358.505 3.299 50 0 FGAAMO CCN(Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012590259 220010923 /nfs/dbraw/zinc/01/09/23/220010923.db2.gz RWLXFYNQGYXZBJ-FQEVSTJZSA-N 1 1 370.541 3.205 50 0 FGAAMO CC(C)NC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012702276 220017942 /nfs/dbraw/zinc/01/79/42/220017942.db2.gz YALMFIJIRBYDCC-MRXNPFEDSA-N 1 1 370.497 3.033 50 0 FGAAMO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012751280 220025115 /nfs/dbraw/zinc/02/51/15/220025115.db2.gz ICSKNCJZHDAVKI-HOTGVXAUSA-N 1 1 354.450 3.156 50 0 FGAAMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012751280 220025118 /nfs/dbraw/zinc/02/51/18/220025118.db2.gz ICSKNCJZHDAVKI-HOTGVXAUSA-N 1 1 354.450 3.156 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000012760009 220025730 /nfs/dbraw/zinc/02/57/30/220025730.db2.gz CORYOJJVNDIGSI-OAHLLOKOSA-N 1 1 355.413 3.115 50 0 FGAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000012760009 220025733 /nfs/dbraw/zinc/02/57/33/220025733.db2.gz CORYOJJVNDIGSI-OAHLLOKOSA-N 1 1 355.413 3.115 50 0 FGAAMO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795392 220031327 /nfs/dbraw/zinc/03/13/27/220031327.db2.gz LZAXOQFCDNSHAS-OAHLLOKOSA-N 1 1 367.449 3.070 50 0 FGAAMO COc1ccc(OC)c([C@@H]2CCCN2c2[nH+]c(C)cc(C)c2C(N)=O)c1 ZINC000012905842 220041024 /nfs/dbraw/zinc/04/10/24/220041024.db2.gz AYOVVANHDXLUEI-INIZCTEOSA-N 1 1 355.438 3.156 50 0 FGAAMO O[C@H](COc1cccc(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000012904166 220041299 /nfs/dbraw/zinc/04/12/99/220041299.db2.gz OXYNYMKHUYGHJL-KRWDZBQOSA-N 1 1 362.267 3.247 50 0 FGAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012931183 220043910 /nfs/dbraw/zinc/04/39/10/220043910.db2.gz QQBBRCKXNJZVBK-GFCCVEGCSA-N 1 1 362.376 3.195 50 0 FGAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012931183 220043911 /nfs/dbraw/zinc/04/39/11/220043911.db2.gz QQBBRCKXNJZVBK-GFCCVEGCSA-N 1 1 362.376 3.195 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(F)c1 ZINC000012937980 220045378 /nfs/dbraw/zinc/04/53/78/220045378.db2.gz XUDOKOVGAGFVFP-HNNXBMFYSA-N 1 1 355.413 3.115 50 0 FGAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(F)c1 ZINC000012937980 220045381 /nfs/dbraw/zinc/04/53/81/220045381.db2.gz XUDOKOVGAGFVFP-HNNXBMFYSA-N 1 1 355.413 3.115 50 0 FGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCc2c(C)n[nH]c2C)c(F)c1 ZINC000013595288 220076823 /nfs/dbraw/zinc/07/68/23/220076823.db2.gz JWKMTGJTAIJODT-UHFFFAOYSA-N 1 1 357.433 3.239 50 0 FGAAMO Cc1ccc(C)c(-n2cc(C[N@@H+]3CCNC(=O)CC3)c(-c3ccccc3)n2)c1 ZINC000013596164 220077061 /nfs/dbraw/zinc/07/70/61/220077061.db2.gz YQGJZBZNTUHHIF-UHFFFAOYSA-N 1 1 374.488 3.478 50 0 FGAAMO Cc1ccc(C)c(-n2cc(C[N@H+]3CCNC(=O)CC3)c(-c3ccccc3)n2)c1 ZINC000013596164 220077064 /nfs/dbraw/zinc/07/70/64/220077064.db2.gz YQGJZBZNTUHHIF-UHFFFAOYSA-N 1 1 374.488 3.478 50 0 FGAAMO O=C([C@H]1Cc2ccccc2O1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014230415 220118508 /nfs/dbraw/zinc/11/85/08/220118508.db2.gz LSPRIZNPAIJWRL-HSZRJFAPSA-N 1 1 372.468 3.488 50 0 FGAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000014554106 220125284 /nfs/dbraw/zinc/12/52/84/220125284.db2.gz UZCPEWPRTDYBAA-UHFFFAOYSA-N 1 1 372.856 3.372 50 0 FGAAMO CCn1nc(C)c(C[N@@H+]2CCC(=O)N(Cc3ccccc3C)CC2)c1C ZINC000014995039 220139648 /nfs/dbraw/zinc/13/96/48/220139648.db2.gz ZUJMSDVTRYYIPR-UHFFFAOYSA-N 1 1 354.498 3.063 50 0 FGAAMO CCOc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)CC2)cc1 ZINC000015003614 220139743 /nfs/dbraw/zinc/13/97/43/220139743.db2.gz PDGWBNAECQAZEW-UHFFFAOYSA-N 1 1 356.441 3.459 50 0 FGAAMO CCc1c(C(=O)N2CCC(C)CC2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000015002233 220139756 /nfs/dbraw/zinc/13/97/56/220139756.db2.gz SPOCOWRDAPEFFE-GOSISDBHSA-N 1 1 373.541 3.076 50 0 FGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CSc2ccncc2)C1 ZINC000015066264 220144541 /nfs/dbraw/zinc/14/45/41/220144541.db2.gz JTGRBUFLAKFWSU-GOSISDBHSA-N 1 1 355.507 3.297 50 0 FGAAMO Cc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)n1C ZINC000015069496 220145287 /nfs/dbraw/zinc/14/52/87/220145287.db2.gz JNFCZJYRHOIUJY-NRFANRHFSA-N 1 1 358.530 3.123 50 0 FGAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000015837238 220167623 /nfs/dbraw/zinc/16/76/23/220167623.db2.gz UCRUAUUXNIGRDO-SFHVURJKSA-N 1 1 372.440 3.426 50 0 FGAAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000016564412 220186961 /nfs/dbraw/zinc/18/69/61/220186961.db2.gz YXQGONQEKNZWRF-UHFFFAOYSA-N 1 1 372.465 3.345 50 0 FGAAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000016564412 220186962 /nfs/dbraw/zinc/18/69/62/220186962.db2.gz YXQGONQEKNZWRF-UHFFFAOYSA-N 1 1 372.465 3.345 50 0 FGAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccccc1F ZINC000020511996 220331194 /nfs/dbraw/zinc/33/11/94/220331194.db2.gz HHVGDXLQIMSRMS-HXUWFJFHSA-N 1 1 366.436 3.412 50 0 FGAAMO Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]n1 ZINC000021017062 220349182 /nfs/dbraw/zinc/34/91/82/220349182.db2.gz WAKJOKMCRIUEOX-UHFFFAOYSA-N 1 1 360.461 3.266 50 0 FGAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2nc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000021065233 220350451 /nfs/dbraw/zinc/35/04/51/220350451.db2.gz AVONZBNIBCQSAQ-GHMZBOCLSA-N 1 1 360.285 3.006 50 0 FGAAMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022030744 220373599 /nfs/dbraw/zinc/37/35/99/220373599.db2.gz PNYQHNSPBQKKBS-NRFANRHFSA-N 1 1 368.521 3.368 50 0 FGAAMO Cc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000022459973 220386853 /nfs/dbraw/zinc/38/68/53/220386853.db2.gz LBEWGZLIHOBQGG-YLJYHZDGSA-N 1 1 371.550 3.472 50 0 FGAAMO COc1ccccc1[C@H](CNC(=O)COc1cccc(C)c1C)[NH+](C)C ZINC000022678943 220394221 /nfs/dbraw/zinc/39/42/21/220394221.db2.gz LZBNPOREDASYAW-SFHVURJKSA-N 1 1 356.466 3.110 50 0 FGAAMO CNC(=O)c1ccc(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000048325614 221008237 /nfs/dbraw/zinc/00/82/37/221008237.db2.gz ZSXIYOWEQHIDMJ-HXUWFJFHSA-N 1 1 363.461 3.137 50 0 FGAAMO C[N@H+](CCOc1ccccc1Cl)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000049581218 221025779 /nfs/dbraw/zinc/02/57/79/221025779.db2.gz DCMWPKZSGRHGIA-QGZVFWFLSA-N 1 1 374.868 3.291 50 0 FGAAMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000049581218 221025783 /nfs/dbraw/zinc/02/57/83/221025783.db2.gz DCMWPKZSGRHGIA-QGZVFWFLSA-N 1 1 374.868 3.291 50 0 FGAAMO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000052803422 221040827 /nfs/dbraw/zinc/04/08/27/221040827.db2.gz NPPOCEADXRZENP-QGZVFWFLSA-N 1 1 357.479 3.226 50 0 FGAAMO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000052803422 221040830 /nfs/dbraw/zinc/04/08/30/221040830.db2.gz NPPOCEADXRZENP-QGZVFWFLSA-N 1 1 357.479 3.226 50 0 FGAAMO CCSc1nc(CC(=O)NC[C@@H](c2ccc(C)o2)[NH+](C)C)cs1 ZINC000055108397 221058905 /nfs/dbraw/zinc/05/89/05/221058905.db2.gz OCJWFPRXJREBPQ-ZDUSSCGKSA-N 1 1 353.513 3.118 50 0 FGAAMO COc1ccc2c(c1)c(C(=O)N1CC[NH+](C)CC1)c(C)n2-c1ccccc1 ZINC000055196382 221061712 /nfs/dbraw/zinc/06/17/12/221061712.db2.gz PCVAIGCUTFYSMV-UHFFFAOYSA-N 1 1 363.461 3.335 50 0 FGAAMO CC(C)CN(Cc1ccsc1)C(=O)CC[C@@H](C)N1CC[NH+](C)CC1 ZINC000055326970 221066020 /nfs/dbraw/zinc/06/60/20/221066020.db2.gz MWWPMNQPKYVLHU-QGZVFWFLSA-N 1 1 351.560 3.149 50 0 FGAAMO CCSc1nc(CC(=O)NCCCNc2ccc(C)c[nH+]2)cs1 ZINC000055035943 221057596 /nfs/dbraw/zinc/05/75/96/221057596.db2.gz ZGCYHUSLNYNNHM-UHFFFAOYSA-N 1 1 350.513 3.119 50 0 FGAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058192493 221104631 /nfs/dbraw/zinc/10/46/31/221104631.db2.gz AFWFFAKCAVBMPH-QGZVFWFLSA-N 1 1 364.536 3.080 50 0 FGAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1Cl ZINC000057739509 221092958 /nfs/dbraw/zinc/09/29/58/221092958.db2.gz HQODTVWSALRNGS-INIZCTEOSA-N 1 1 358.829 3.356 50 0 FGAAMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058245147 221110390 /nfs/dbraw/zinc/11/03/90/221110390.db2.gz VCLKOZYAKGUPKO-UHFFFAOYSA-N 1 1 372.435 3.195 50 0 FGAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(N)nc(Cl)c3)cc2)C1 ZINC000058310264 221113920 /nfs/dbraw/zinc/11/39/20/221113920.db2.gz HMWNTZUJGKIPOT-CQSZACIVSA-N 1 1 372.900 3.479 50 0 FGAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 ZINC000058342919 221114105 /nfs/dbraw/zinc/11/41/05/221114105.db2.gz XJKNQWFRTCYQNE-IJEWVQPXSA-N 1 1 373.522 3.208 50 0 FGAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000058424017 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/nfs/dbraw/zinc/00/60/36/534006036.db2.gz WHBBHWJFDDHYDA-UHFFFAOYSA-N 1 1 359.857 3.143 50 0 FGAAMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCCN2CCCCC2=O)c1 ZINC000299766826 534163770 /nfs/dbraw/zinc/16/37/70/534163770.db2.gz FYYLNDLWFPUARG-QGZVFWFLSA-N 1 1 372.513 3.195 50 0 FGAAMO CSc1ccc(-c2cccc(C(=O)N3CC[N@H+](C)[C@H](CCO)C3)c2)cc1 ZINC000299763327 534178392 /nfs/dbraw/zinc/17/83/92/534178392.db2.gz ZZARHJCCVLOFSF-LJQANCHMSA-N 1 1 370.518 3.214 50 0 FGAAMO CSc1ccc(-c2cccc(C(=O)N3CC[N@@H+](C)[C@H](CCO)C3)c2)cc1 ZINC000299763327 534178396 /nfs/dbraw/zinc/17/83/96/534178396.db2.gz ZZARHJCCVLOFSF-LJQANCHMSA-N 1 1 370.518 3.214 50 0 FGAAMO Cc1ccc(S(=O)(=O)Nc2c(C[NH+](C)C)c3ccccc3n2C)cc1 ZINC000334163097 534211955 /nfs/dbraw/zinc/21/19/55/534211955.db2.gz LMCSRSVUTZBQJZ-UHFFFAOYSA-N 1 1 357.479 3.349 50 0 FGAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000241837529 521098057 /nfs/dbraw/zinc/09/80/57/521098057.db2.gz SKVOZUUSZBBOFJ-PMACEKPBSA-N 1 1 372.509 3.028 50 0 FGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccs2)CC1 ZINC000020288173 521695842 /nfs/dbraw/zinc/69/58/42/521695842.db2.gz ABFUZOHJDLTPTO-YOEHRIQHSA-N 1 1 363.552 3.307 50 0 FGAAMO COC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)c1 ZINC000082108039 522193552 /nfs/dbraw/zinc/19/35/52/522193552.db2.gz UKLMMCZIOFOFEE-GOSISDBHSA-N 1 1 355.438 3.063 50 0 FGAAMO COc1ccc(-c2nc(CN3CC[N@H+]4CCCC[C@H]4C3)c(C)o2)cc1OC ZINC000244734357 523205031 /nfs/dbraw/zinc/20/50/31/523205031.db2.gz NEBLQTSUUMEZLN-KRWDZBQOSA-N 1 1 371.481 3.337 50 0 FGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000020997077 524032893 /nfs/dbraw/zinc/03/28/93/524032893.db2.gz SXUVKVQHOULSEA-NRFANRHFSA-N 1 1 354.494 3.072 50 0 FGAAMO COc1ccccc1C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000242263416 524439703 /nfs/dbraw/zinc/43/97/03/524439703.db2.gz XYYVIUWIUNNPFN-LEWJYISDSA-N 1 1 355.478 3.280 50 0 FGAAMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000241965529 525203601 /nfs/dbraw/zinc/20/36/01/525203601.db2.gz UTMUXOFPJBNOIK-NUJGCVRESA-N 1 1 358.482 3.099 50 0 FGAAMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000241965529 525203608 /nfs/dbraw/zinc/20/36/08/525203608.db2.gz UTMUXOFPJBNOIK-NUJGCVRESA-N 1 1 358.482 3.099 50 0 FGAAMO Cc1ccncc1C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082099958 525725741 /nfs/dbraw/zinc/72/57/41/525725741.db2.gz WEAXRTWQKFLQLP-UHFFFAOYSA-N 1 1 367.497 3.055 50 0 FGAAMO O=C(CCC1CCCCC1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230322 526407460 /nfs/dbraw/zinc/40/74/60/526407460.db2.gz VZUURHJZVOVGEU-UHFFFAOYSA-N 1 1 371.529 3.086 50 0 FGAAMO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)N1CC1CC1 ZINC000091486843 527118340 /nfs/dbraw/zinc/11/83/40/527118340.db2.gz SDBPLAIPDHLWLE-JKSUJKDBSA-N 1 1 368.399 3.418 50 0 FGAAMO O=C(Cn1cnc2ccccc21)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091595684 527401829 /nfs/dbraw/zinc/40/18/29/527401829.db2.gz HKFOFBWXRGHMCA-WOJBJXKFSA-N 1 1 374.488 3.159 50 0 FGAAMO OCC[C@@H]1CN(CCc2ccccc2)CC[N@H+]1CCCc1ccccc1 ZINC000020515881 527564162 /nfs/dbraw/zinc/56/41/62/527564162.db2.gz GAHJHVQNWLLZJQ-HSZRJFAPSA-N 1 1 352.522 3.231 50 0 FGAAMO OCC[C@@H]1C[N@H+](CCc2ccccc2)CCN1CCCc1ccccc1 ZINC000020515881 527564169 /nfs/dbraw/zinc/56/41/69/527564169.db2.gz GAHJHVQNWLLZJQ-HSZRJFAPSA-N 1 1 352.522 3.231 50 0 FGAAMO OCC[C@@H]1C[N@@H+](CCc2ccccc2)CCN1CCCc1ccccc1 ZINC000020515881 527564173 /nfs/dbraw/zinc/56/41/73/527564173.db2.gz GAHJHVQNWLLZJQ-HSZRJFAPSA-N 1 1 352.522 3.231 50 0 FGAAMO OCC[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000019952331 527565291 /nfs/dbraw/zinc/56/52/91/527565291.db2.gz FORJUQIVHZMBMT-JOCHJYFZSA-N 1 1 356.485 3.327 50 0 FGAAMO OCC[C@H]1CN(Cc2ccccc2OC(F)F)CC[N@H+]1C1CCCCC1 ZINC000019789781 527573746 /nfs/dbraw/zinc/57/37/46/527573746.db2.gz HHWHNUCKRMGVID-SFHVURJKSA-N 1 1 368.468 3.489 50 0 FGAAMO CCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000334160603 528123525 /nfs/dbraw/zinc/12/35/25/528123525.db2.gz IMCLNGYCZPJGEZ-FUHWJXTLSA-N 1 1 363.502 3.119 50 0 FGAAMO CCOc1ccc2nc(C[N@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)ccc2c1 ZINC000299765445 528624948 /nfs/dbraw/zinc/62/49/48/528624948.db2.gz AYIYWAGJPZWFJK-JRGCBEDISA-N 1 1 356.466 3.138 50 0 FGAAMO O=C(NCCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000426430903 571224496 /nfs/dbraw/zinc/22/44/96/571224496.db2.gz AAOXEEZCJOVRRJ-QGZVFWFLSA-N 1 1 370.468 3.317 50 0 FGAAMO COc1c(F)cc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000670464116 571357804 /nfs/dbraw/zinc/35/78/04/571357804.db2.gz DNGACJPJGIHNAJ-OAHLLOKOSA-N 1 1 360.404 3.193 50 0 FGAAMO CSc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000022926715 695658595 /nfs/dbraw/zinc/65/85/95/695658595.db2.gz HMWIPEIVARPAFT-FQEVSTJZSA-N 1 1 356.535 3.477 50 0 FGAAMO CSCCC[N@H+]1CCC[C@@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169776573 705350891 /nfs/dbraw/zinc/35/08/91/705350891.db2.gz NJOIGKPBOKYWNB-MRXNPFEDSA-N 1 1 362.539 3.423 50 0 FGAAMO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC000169782750 705351687 /nfs/dbraw/zinc/35/16/87/705351687.db2.gz KZGSNVJAZZEJSK-MRXNPFEDSA-N 1 1 368.880 3.186 50 0 FGAAMO CC(=O)Nc1ccc(C(=O)N2CCC[N@H+](CC(C)C)CC2)c(Cl)c1 ZINC000952976114 762538995 /nfs/dbraw/zinc/53/89/95/762538995.db2.gz QETPBITZCCLFAV-UHFFFAOYSA-N 1 1 351.878 3.102 50 0 FGAAMO COc1cc(OC)cc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000000872181 219334558 /nfs/dbraw/zinc/33/45/58/219334558.db2.gz TWLASQNCRYSUFK-UHFFFAOYSA-N 1 1 368.477 3.094 50 0 FGAAMO CC[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000000974688 219349026 /nfs/dbraw/zinc/34/90/26/219349026.db2.gz ABCXPFMUBUBVDM-DZGCQCFKSA-N 1 1 365.271 3.346 50 0 FGAAMO O=C1NC[C@@H]([NH2+]CCc2cccs2)n2nc(-c3ccc(Cl)cc3)cc21 ZINC000263619560 223076890 /nfs/dbraw/zinc/07/68/90/223076890.db2.gz ZGAZEIVBYNSJRN-KRWDZBQOSA-N 1 1 372.881 3.339 50 0 FGAAMO Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)n1 ZINC000299767062 223088358 /nfs/dbraw/zinc/08/83/58/223088358.db2.gz DMADCYMLAYEWHQ-LJQANCHMSA-N 1 1 364.453 3.473 50 0 FGAAMO Cc1scc(C(=O)NCC[N@H+]2CCC[C@H](CO)C2)c1-c1ccccc1 ZINC000299802946 223106116 /nfs/dbraw/zinc/10/61/16/223106116.db2.gz YXJYTMOONGPSFP-INIZCTEOSA-N 1 1 358.507 3.158 50 0 FGAAMO O=C(NC[C@H]1CCC[N@H+](C2CCOCC2)C1)c1cccc2ccccc21 ZINC000012714541 220021387 /nfs/dbraw/zinc/02/13/87/220021387.db2.gz BSWTVIYMCHGTTB-QGZVFWFLSA-N 1 1 352.478 3.461 50 0 FGAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1=O ZINC000012761273 220026113 /nfs/dbraw/zinc/02/61/13/220026113.db2.gz MJNITOWMPPWXNS-QFIPXVFZSA-N 1 1 352.478 3.301 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(F)c1 ZINC000012937973 220045287 /nfs/dbraw/zinc/04/52/87/220045287.db2.gz XUDOKOVGAGFVFP-OAHLLOKOSA-N 1 1 355.413 3.115 50 0 FGAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(F)c1 ZINC000012937973 220045289 /nfs/dbraw/zinc/04/52/89/220045289.db2.gz XUDOKOVGAGFVFP-OAHLLOKOSA-N 1 1 355.413 3.115 50 0 FGAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2)c(OC)c1 ZINC000012987196 220049983 /nfs/dbraw/zinc/04/99/83/220049983.db2.gz IBBLASZPAYNGMR-HXUWFJFHSA-N 1 1 368.477 3.499 50 0 FGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2)c(OC)c1 ZINC000012987196 220049986 /nfs/dbraw/zinc/04/99/86/220049986.db2.gz IBBLASZPAYNGMR-HXUWFJFHSA-N 1 1 368.477 3.499 50 0 FGAAMO CCOc1cc(CNCCC[NH2+]CCO)ccc1OCc1ccc(C)cc1 ZINC000013733221 220091413 /nfs/dbraw/zinc/09/14/13/220091413.db2.gz VGBPGIWCZATIPG-UHFFFAOYSA-N 1 1 372.509 3.034 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014094161 220106356 /nfs/dbraw/zinc/10/63/56/220106356.db2.gz FWGJTPYUUCRHPW-INIZCTEOSA-N 1 1 357.479 3.332 50 0 FGAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014094161 220106360 /nfs/dbraw/zinc/10/63/60/220106360.db2.gz FWGJTPYUUCRHPW-INIZCTEOSA-N 1 1 357.479 3.332 50 0 FGAAMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(F)(F)F)cc1 ZINC000014670831 220129256 /nfs/dbraw/zinc/12/92/56/220129256.db2.gz WPCCTJJHJYUBJR-UHFFFAOYSA-N 1 1 362.351 3.433 50 0 FGAAMO Cc1ccc(C)c(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000014887518 220134816 /nfs/dbraw/zinc/13/48/16/220134816.db2.gz BTEOVKYKYJVLAX-HSZRJFAPSA-N 1 1 368.521 3.467 50 0 FGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000015865200 220170251 /nfs/dbraw/zinc/17/02/51/220170251.db2.gz UUANHEIBYRVUHQ-CQSZACIVSA-N 1 1 354.479 3.301 50 0 FGAAMO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000017076485 220206093 /nfs/dbraw/zinc/20/60/93/220206093.db2.gz DIHBUFNQDKRHRV-UHFFFAOYSA-N 1 1 373.478 3.193 50 0 FGAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000019367330 220252558 /nfs/dbraw/zinc/25/25/58/220252558.db2.gz LOJQGJUWZYJAAE-IBGZPJMESA-N 1 1 374.912 3.206 50 0 FGAAMO COc1cc(OC)c2[nH]c(C)c(C[N@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000019793730 220295806 /nfs/dbraw/zinc/29/58/06/220295806.db2.gz IDJVRDHDPAPUKC-UHFFFAOYSA-N 1 1 364.445 3.412 50 0 FGAAMO CCCCOc1c(Br)cc(CNCC[NH+](C)C)cc1OC ZINC000020406707 220325676 /nfs/dbraw/zinc/32/56/76/220325676.db2.gz OTGFMNPXMZRRHQ-UHFFFAOYSA-N 1 1 359.308 3.288 50 0 FGAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000020130444 220314481 /nfs/dbraw/zinc/31/44/81/220314481.db2.gz ZCZRIIVNFGJUBA-RDGPPVDQSA-N 1 1 374.396 3.017 50 0 FGAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000020130444 220314486 /nfs/dbraw/zinc/31/44/86/220314486.db2.gz ZCZRIIVNFGJUBA-RDGPPVDQSA-N 1 1 374.396 3.017 50 0 FGAAMO O[C@H](Cn1c2ccccc2nc1-c1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000020519260 220331020 /nfs/dbraw/zinc/33/10/20/220331020.db2.gz ABOHQTNZFNKQDR-KRWDZBQOSA-N 1 1 371.868 3.050 50 0 FGAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cccc3ccccc32)C[C@H](C)O1 ZINC000021054477 220350278 /nfs/dbraw/zinc/35/02/78/220350278.db2.gz MINLEYVTZKIZTR-CALCHBBNSA-N 1 1 354.494 3.386 50 0 FGAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2cccc3ccccc32)C[C@H](C)O1 ZINC000021054477 220350280 /nfs/dbraw/zinc/35/02/80/220350280.db2.gz MINLEYVTZKIZTR-CALCHBBNSA-N 1 1 354.494 3.386 50 0 FGAAMO C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022027282 220373800 /nfs/dbraw/zinc/37/38/00/220373800.db2.gz VKSBBIVKECNHLR-XLIONFOSSA-N 1 1 374.598 3.160 50 0 FGAAMO O=C(c1cnccn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022356898 220384547 /nfs/dbraw/zinc/38/45/47/220384547.db2.gz HKKFIBMBMAVFHP-UHFFFAOYSA-N 1 1 358.445 3.024 50 0 FGAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)ccc21 ZINC000022798938 220399180 /nfs/dbraw/zinc/39/91/80/220399180.db2.gz MOCPNMSANNNOMI-INIZCTEOSA-N 1 1 364.493 3.389 50 0 FGAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccccc1 ZINC000048280136 221005506 /nfs/dbraw/zinc/00/55/06/221005506.db2.gz FXSMXKRUOXPZJS-FQEVSTJZSA-N 1 1 352.482 3.278 50 0 FGAAMO CC(C)NC(=O)Nc1cccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000048397385 221012332 /nfs/dbraw/zinc/01/23/32/221012332.db2.gz ICCZRPRAVMELSC-MRXNPFEDSA-N 1 1 360.502 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Cc1ccc2nsnc2c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096149537 222050608 /nfs/dbraw/zinc/05/06/08/222050608.db2.gz ROIOHVWVAAJMNL-OAHLLOKOSA-N 1 1 367.478 3.396 50 0 FGAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cncn3C)CC2)C1 ZINC000096180181 222068310 /nfs/dbraw/zinc/06/83/10/222068310.db2.gz ADDYGQLIHGMMLI-IBGZPJMESA-N 1 1 366.509 3.152 50 0 FGAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000096180767 222069045 /nfs/dbraw/zinc/06/90/45/222069045.db2.gz BCKCERKGLRZIOB-OAHLLOKOSA-N 1 1 353.894 3.437 50 0 FGAAMO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C)C2)s1 ZINC000097213195 222169265 /nfs/dbraw/zinc/16/92/65/222169265.db2.gz BUHUNQKSXINTMK-MRXNPFEDSA-N 1 1 358.507 3.455 50 0 FGAAMO Cc1ncncc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000097294794 222173550 /nfs/dbraw/zinc/17/35/50/222173550.db2.gz NKRJPDXFEWGSFI-GOSISDBHSA-N 1 1 358.873 3.395 50 0 FGAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2c(C)n(C)n(-c3ccccc3)c2=O)no1 ZINC000097674458 222204370 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CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c2ccc(C)cc2[nH]c1C(=O)OC ZINC000002410453 493807778 /nfs/dbraw/zinc/80/77/78/493807778.db2.gz AFECPOFTADUBOL-CQSZACIVSA-N 1 1 357.454 3.466 50 0 FGAAMO COC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)c2c(cccc2C)n1C ZINC000002427119 493807960 /nfs/dbraw/zinc/80/79/60/493807960.db2.gz MPFOZWXTAQLHOK-CQSZACIVSA-N 1 1 357.454 3.086 50 0 FGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c2ccc(C)cc2[nH]c1C(=O)OC ZINC000002410452 493808115 /nfs/dbraw/zinc/80/81/15/493808115.db2.gz AFECPOFTADUBOL-AWEZNQCLSA-N 1 1 357.454 3.466 50 0 FGAAMO CCC[N@H+](CC)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000058208992 493833234 /nfs/dbraw/zinc/83/32/34/493833234.db2.gz PUAJMVHYYGGMKU-UHFFFAOYSA-N 1 1 351.450 3.171 50 0 FGAAMO CCC[N@@H+](CC)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000058208992 493833242 /nfs/dbraw/zinc/83/32/42/493833242.db2.gz PUAJMVHYYGGMKU-UHFFFAOYSA-N 1 1 351.450 3.171 50 0 FGAAMO CC[C@@H](CNC(=O)c1cccc(OC)c1OC)[N@H+]1CCc2ccccc2C1 ZINC000029909398 493866146 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c1coc([C@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)N2CCCCC2)c1 ZINC000023304006 494560080 /nfs/dbraw/zinc/56/00/80/494560080.db2.gz VARZDSCTAGNJPK-IBGZPJMESA-N 1 1 351.454 3.177 50 0 FGAAMO c1coc([C@H](CNCc2cnn(-c3ccccc3)n2)[NH+]2CCCCC2)c1 ZINC000023304006 494560083 /nfs/dbraw/zinc/56/00/83/494560083.db2.gz VARZDSCTAGNJPK-IBGZPJMESA-N 1 1 351.454 3.177 50 0 FGAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000023358078 494562068 /nfs/dbraw/zinc/56/20/68/494562068.db2.gz GPVQAEYCYDVNDZ-QFIPXVFZSA-N 1 1 368.521 3.197 50 0 FGAAMO C[C@]1(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000067589092 494576157 /nfs/dbraw/zinc/57/61/57/494576157.db2.gz KNHNSLTVAGJITJ-QFIPXVFZSA-N 1 1 366.509 3.096 50 0 FGAAMO c1cc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)s2)n[nH]1 ZINC000091269699 494577315 /nfs/dbraw/zinc/57/73/15/494577315.db2.gz MLGHOAUZSODWOH-HUUCEWRRSA-N 1 1 366.494 3.029 50 0 FGAAMO CCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC000067689050 494612531 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CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc2c(c1)OCCO2 ZINC000180616863 496069631 /nfs/dbraw/zinc/06/96/31/496069631.db2.gz FZZAAFCYCQMGNW-QGZVFWFLSA-N 1 1 364.449 3.494 50 0 FGAAMO Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4nc[nH]n4)cc3)CC2)[nH+]c1 ZINC000171884105 496074071 /nfs/dbraw/zinc/07/40/71/496074071.db2.gz GKQFNNJUMPFQJL-UHFFFAOYSA-N 1 1 362.437 3.030 50 0 FGAAMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000187984325 496640715 /nfs/dbraw/zinc/64/07/15/496640715.db2.gz LDNFZXXFXYXMEQ-LBPRGKRZSA-N 1 1 373.931 3.495 50 0 FGAAMO CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(OC)ccc1-n1cccn1 ZINC000214970697 496977900 /nfs/dbraw/zinc/97/79/00/496977900.db2.gz VIMCCWABQOHKKV-UHFFFAOYSA-N 1 1 353.470 3.253 50 0 FGAAMO CN(C)Cc1csc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000215960098 496984380 /nfs/dbraw/zinc/98/43/80/496984380.db2.gz YDTSRRSBDJAOCR-NRFANRHFSA-N 1 1 369.534 3.320 50 0 FGAAMO CN(C)Cc1csc(C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000215960098 496984383 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/nfs/dbraw/zinc/02/36/80/209023680.db2.gz GVALUOXOFKSPQJ-AWEZNQCLSA-N 1 1 366.490 3.201 50 0 FGAAMO C[NH+](C)[C@@H](C(=O)N1CCC(OCc2cccnc2)CC1)c1cccc(F)c1 ZINC000095359398 209027148 /nfs/dbraw/zinc/02/71/48/209027148.db2.gz AVYSYCLLSKAQKV-HXUWFJFHSA-N 1 1 371.456 3.031 50 0 FGAAMO Cn1cccc1C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095362332 209030066 /nfs/dbraw/zinc/03/00/66/209030066.db2.gz UCSWEMPXVKCTKH-CDHQVMDDSA-N 1 1 371.431 3.006 50 0 FGAAMO O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095372880 209034382 /nfs/dbraw/zinc/03/43/82/209034382.db2.gz MXDQNQVHDHJSPL-VQTJNVASSA-N 1 1 350.462 3.058 50 0 FGAAMO COc1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc(OC)c1OC ZINC000095380795 209041087 /nfs/dbraw/zinc/04/10/87/209041087.db2.gz LOHYLCMAOFYRPZ-PKOBYXMFSA-N 1 1 374.525 3.409 50 0 FGAAMO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc(OC)c1OC ZINC000095380795 209041091 /nfs/dbraw/zinc/04/10/91/209041091.db2.gz LOHYLCMAOFYRPZ-PKOBYXMFSA-N 1 1 374.525 3.409 50 0 FGAAMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc(OC)c1OC ZINC000095380795 209041093 /nfs/dbraw/zinc/04/10/93/209041093.db2.gz LOHYLCMAOFYRPZ-PKOBYXMFSA-N 1 1 374.525 3.409 50 0 FGAAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1c(C)cc(C)cc1-n1cccn1)C2 ZINC000095379427 209041250 /nfs/dbraw/zinc/04/12/50/209041250.db2.gz HVFHIAMDRLLCSR-VQTJNVASSA-N 1 1 368.525 3.032 50 0 FGAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(C)cc(C)cc1-n1cccn1)C2 ZINC000095379427 209041254 /nfs/dbraw/zinc/04/12/54/209041254.db2.gz HVFHIAMDRLLCSR-VQTJNVASSA-N 1 1 368.525 3.032 50 0 FGAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(C)cc(C)cc1-n1cccn1)C2 ZINC000095379427 209041256 /nfs/dbraw/zinc/04/12/56/209041256.db2.gz HVFHIAMDRLLCSR-VQTJNVASSA-N 1 1 368.525 3.032 50 0 FGAAMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000095958222 209090084 /nfs/dbraw/zinc/09/00/84/209090084.db2.gz GBQBUUBLCAOVQK-LLVKDONJSA-N 1 1 351.299 3.004 50 0 FGAAMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](O)c2ccccc2C1)c1ccccc1Cl 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3.122 50 0 FGAAMO Cc1ccc(CN(C)c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)o1 ZINC000012480418 207383446 /nfs/dbraw/zinc/38/34/46/207383446.db2.gz XLIBEFKAFYKRPB-GOSISDBHSA-N 1 1 370.497 3.224 50 0 FGAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C=C(C)C ZINC000012589722 207397754 /nfs/dbraw/zinc/39/77/54/207397754.db2.gz GRCDPPHRDUQMOI-IBGZPJMESA-N 1 1 370.537 3.307 50 0 FGAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000032843161 208049152 /nfs/dbraw/zinc/04/91/52/208049152.db2.gz VXARYXBTQCNVKN-KSSFIOAISA-N 1 1 361.413 3.045 50 0 FGAAMO COc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000030641281 208003087 /nfs/dbraw/zinc/00/30/87/208003087.db2.gz JJVMLBPGRSOWRE-CABCVRRESA-N 1 1 374.506 3.087 50 0 FGAAMO COc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000030641281 208003089 /nfs/dbraw/zinc/00/30/89/208003089.db2.gz JJVMLBPGRSOWRE-CABCVRRESA-N 1 1 374.506 3.087 50 0 FGAAMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000032408015 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CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000036102811 208145060 /nfs/dbraw/zinc/14/50/60/208145060.db2.gz KGPOFONTRGUGCD-HXUWFJFHSA-N 1 1 371.477 3.402 50 0 FGAAMO COCCC[N@H+](Cc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036096263 208145565 /nfs/dbraw/zinc/14/55/65/208145565.db2.gz XEPNBEIIAQBKPH-HXUWFJFHSA-N 1 1 361.457 3.242 50 0 FGAAMO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000038673398 208202989 /nfs/dbraw/zinc/20/29/89/208202989.db2.gz VEYBUBMPZPEIBD-CQSZACIVSA-N 1 1 358.916 3.291 50 0 FGAAMO CC(=O)Nc1ccc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000039461163 208211639 /nfs/dbraw/zinc/21/16/39/208211639.db2.gz JDINQMHROWMHEX-JOCHJYFZSA-N 1 1 373.541 3.094 50 0 FGAAMO COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000040099158 208228320 /nfs/dbraw/zinc/22/83/20/208228320.db2.gz WUPJNRRRKZXTRE-CQSZACIVSA-N 1 1 369.893 3.135 50 0 FGAAMO O=C(COCC1CC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000040108144 208230642 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Cc1[nH+]ccn1CCN(C)c1cc(-c2ccccc2F)nc2ccnn21 ZINC000072121863 208800868 /nfs/dbraw/zinc/80/08/68/208800868.db2.gz IQGDMQQFWBXFRD-UHFFFAOYSA-N 1 1 350.401 3.177 50 0 FGAAMO O=C(c1cccnc1)N1C[C@H]2CC[C@H](C[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000091934063 209005110 /nfs/dbraw/zinc/00/51/10/209005110.db2.gz HGLPNTYCZHUELT-MHVFZBBKSA-N 1 1 365.452 3.471 50 0 FGAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)c(C)c1)C2 ZINC000092037442 209012720 /nfs/dbraw/zinc/01/27/20/209012720.db2.gz VHRLYCIVEQYCNM-ZWKOTPCHSA-N 1 1 371.456 3.362 50 0 FGAAMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)c2ccccc21 ZINC000095354484 209024129 /nfs/dbraw/zinc/02/41/29/209024129.db2.gz AKYPNVIXSUGYDA-PKOBYXMFSA-N 1 1 374.488 3.310 50 0 FGAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(C)n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095354191 209024412 /nfs/dbraw/zinc/02/44/12/209024412.db2.gz FXDBGXIDNLXVDA-YTFSRNRJSA-N 1 1 363.505 3.461 50 0 FGAAMO Cc1nccn1Cc1nnc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1C ZINC000095355796 209024806 /nfs/dbraw/zinc/02/48/06/209024806.db2.gz JNHHWNVKIYFBLP-SFHVURJKSA-N 1 1 356.518 3.128 50 0 FGAAMO CCCCSc1nc(N)cc(N2CCC[N@@H+](Cc3ccncc3)CC2)n1 ZINC000095354596 209024962 /nfs/dbraw/zinc/02/49/62/209024962.db2.gz GEVQQFACYSEEJL-UHFFFAOYSA-N 1 1 372.542 3.058 50 0 FGAAMO Cc1cccc([C@H](C(=O)N2CCC(CCn3cccn3)CC2)[NH+](C)C)c1 ZINC000095358137 209026248 /nfs/dbraw/zinc/02/62/48/209026248.db2.gz HXSPEUBEZBOYMK-HXUWFJFHSA-N 1 1 354.498 3.123 50 0 FGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(OCCOCC)c1)C2 ZINC000095363490 209029806 /nfs/dbraw/zinc/02/98/06/209029806.db2.gz SZNQZYGHGXUTLL-IEBWSBKVSA-N 1 1 360.498 3.048 50 0 FGAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000095386201 209043766 /nfs/dbraw/zinc/04/37/66/209043766.db2.gz XRDQDEKFSWANIW-VLCRHTCISA-N 1 1 366.461 3.379 50 0 FGAAMO COc1ccc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1Cl ZINC000095382296 209040621 /nfs/dbraw/zinc/04/06/21/209040621.db2.gz BVOJMQAGBYAEMR-OXQOHEQNSA-N 1 1 359.853 3.319 50 0 FGAAMO Cc1[nH+]ccn1CCCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000070010576 221330710 /nfs/dbraw/zinc/33/07/10/221330710.db2.gz JRZFBLZQKPZVTI-UHFFFAOYSA-N 1 1 366.421 3.133 50 0 FGAAMO CCn1ncc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)c1C ZINC000095504382 209065932 /nfs/dbraw/zinc/06/59/32/209065932.db2.gz AKLOHORLLSKFRQ-IBGZPJMESA-N 1 1 366.509 3.306 50 0 FGAAMO CCc1cc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)nc(C)[nH+]1 ZINC000095390429 132210367 /nfs/dbraw/zinc/21/03/67/132210367.db2.gz DGNMSDZQQDBIJI-LJQANCHMSA-N 1 1 364.493 3.332 50 0 FGAAMO O=C(C1CCCC1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055253427 136126335 /nfs/dbraw/zinc/12/63/35/136126335.db2.gz OVOQAYLIKXAZJF-SFHVURJKSA-N 1 1 359.489 3.129 50 0 FGAAMO OC[C@]1(CCOc2ccccc2)CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000071714992 136139826 /nfs/dbraw/zinc/13/98/26/136139826.db2.gz AYKPPFAUNDEDNG-FQEVSTJZSA-N 1 1 352.438 3.006 50 0 FGAAMO Cc1nc2c(c(N3CCN(c4cccc(Cl)c4Cl)CC3)n1)C[NH2+]C2 ZINC000072120678 136142051 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C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1Cl ZINC000057739516 493792192 /nfs/dbraw/zinc/79/21/92/493792192.db2.gz HQODTVWSALRNGS-MRXNPFEDSA-N 1 1 358.829 3.356 50 0 FGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1nnc(C2CC2)s1 ZINC000058177812 493830074 /nfs/dbraw/zinc/83/00/74/493830074.db2.gz JUSBKRXMIASGKE-HNNXBMFYSA-N 1 1 371.510 3.449 50 0 FGAAMO O=C(CCc1ccccc1O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058186063 493831543 /nfs/dbraw/zinc/83/15/43/493831543.db2.gz XYOMZNNHTPUQAD-MRXNPFEDSA-N 1 1 358.507 3.415 50 0 FGAAMO COc1ccc(OCC(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000003209305 493832115 /nfs/dbraw/zinc/83/21/15/493832115.db2.gz OETXJXKXSPAPRY-FPOVZHCZSA-N 1 1 366.461 3.217 50 0 FGAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccsc1 ZINC000030435204 493891351 /nfs/dbraw/zinc/89/13/51/493891351.db2.gz OZJDGGYQVAQAJT-KRWDZBQOSA-N 1 1 352.525 3.418 50 0 FGAAMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000069182113 493934373 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FGAAMO Cc1ncc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]1 ZINC000071715069 494095439 /nfs/dbraw/zinc/09/54/39/494095439.db2.gz VLRODXWSAXVMIW-IBGZPJMESA-N 1 1 358.461 3.116 50 0 FGAAMO Cc1nc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c[nH]1 ZINC000071715069 494095442 /nfs/dbraw/zinc/09/54/42/494095442.db2.gz VLRODXWSAXVMIW-IBGZPJMESA-N 1 1 358.461 3.116 50 0 FGAAMO Cc1nc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c[nH]1 ZINC000071715069 494095446 /nfs/dbraw/zinc/09/54/46/494095446.db2.gz VLRODXWSAXVMIW-IBGZPJMESA-N 1 1 358.461 3.116 50 0 FGAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071681339 494095774 /nfs/dbraw/zinc/09/57/74/494095774.db2.gz HKRPUQFIHKJWHU-CWFSZBLJSA-N 1 1 358.436 3.059 50 0 FGAAMO Cc1nc[nH]c1CN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071681339 494095777 /nfs/dbraw/zinc/09/57/77/494095777.db2.gz HKRPUQFIHKJWHU-CWFSZBLJSA-N 1 1 358.436 3.059 50 0 FGAAMO Cc1ccccc1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751218 494097891 /nfs/dbraw/zinc/09/78/91/494097891.db2.gz DJLZSMCLKVJZOY-NRFANRHFSA-N 1 1 369.553 3.294 50 0 FGAAMO Cc1nccn1CC[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071752875 494098281 /nfs/dbraw/zinc/09/82/81/494098281.db2.gz UXCDWAPLCVVHBS-HXUWFJFHSA-N 1 1 372.488 3.090 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1)NC1CC1 ZINC000071750812 494098632 /nfs/dbraw/zinc/09/86/32/494098632.db2.gz DSIXHZDXOUCFGZ-QGZVFWFLSA-N 1 1 362.473 3.112 50 0 FGAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1)NC1CC1 ZINC000071750812 494098636 /nfs/dbraw/zinc/09/86/36/494098636.db2.gz DSIXHZDXOUCFGZ-QGZVFWFLSA-N 1 1 362.473 3.112 50 0 FGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cnc(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125590 494129898 /nfs/dbraw/zinc/12/98/98/494129898.db2.gz LFXMQRVETMHKKC-INIZCTEOSA-N 1 1 355.486 3.326 50 0 FGAAMO Cc1nc([C@H]2CCC[N@H+](Cc3c[nH]c(CC4CCCC4)n3)C2)cc(=O)[nH]1 ZINC000072125590 494129902 /nfs/dbraw/zinc/12/99/02/494129902.db2.gz LFXMQRVETMHKKC-INIZCTEOSA-N 1 1 355.486 3.326 50 0 FGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3c[nH]c(CC4CCCC4)n3)C2)cc(=O)[nH]1 ZINC000072125590 494129905 /nfs/dbraw/zinc/12/99/05/494129905.db2.gz LFXMQRVETMHKKC-INIZCTEOSA-N 1 1 355.486 3.326 50 0 FGAAMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000072129516 494130300 /nfs/dbraw/zinc/13/03/00/494130300.db2.gz AOUTXVRZDATWDP-JOCHJYFZSA-N 1 1 358.445 3.424 50 0 FGAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@H](Cn3ccnc3C)C2)c(OC)c1 ZINC000072130823 494130786 /nfs/dbraw/zinc/13/07/86/494130786.db2.gz UHNPQJYBYLSULK-MRXNPFEDSA-N 1 1 359.470 3.130 50 0 FGAAMO COC(=O)c1coc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000072152186 494136154 /nfs/dbraw/zinc/13/61/54/494136154.db2.gz LNEZLCTWVIRAIJ-DJPFJPOOSA-N 1 1 370.449 3.114 50 0 FGAAMO COC(=O)c1coc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000072152186 494136157 /nfs/dbraw/zinc/13/61/57/494136157.db2.gz LNEZLCTWVIRAIJ-DJPFJPOOSA-N 1 1 370.449 3.114 50 0 FGAAMO Cc1cc(C)c(C)c2occ(CC(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)c21 ZINC000072162373 494139993 /nfs/dbraw/zinc/13/99/93/494139993.db2.gz AMATXNCKGPNRFG-LJQANCHMSA-N 1 1 370.493 3.224 50 0 FGAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@@H+](CCCn3cnnn3)C2)c1 ZINC000072166225 494141152 /nfs/dbraw/zinc/14/11/52/494141152.db2.gz DMSXYRSBKWGKEO-MRXNPFEDSA-N 1 1 367.419 3.427 50 0 FGAAMO Cc1c(Cl)cc(C(=O)N2CCC[C@H]([N@@H+](C)CCN(C)C)C2)cc1Cl ZINC000072167526 494142174 /nfs/dbraw/zinc/14/21/74/494142174.db2.gz HIRTVJVSDSRJGM-HNNXBMFYSA-N 1 1 372.340 3.400 50 0 FGAAMO Cc1c(Cl)cc(C(=O)N2CCC[C@H]([N@H+](C)CCN(C)C)C2)cc1Cl ZINC000072167526 494142176 /nfs/dbraw/zinc/14/21/76/494142176.db2.gz HIRTVJVSDSRJGM-HNNXBMFYSA-N 1 1 372.340 3.400 50 0 FGAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000072172851 494142921 /nfs/dbraw/zinc/14/29/21/494142921.db2.gz ZKWVTYAVJVNIJY-FQEVSTJZSA-N 1 1 355.438 3.423 50 0 FGAAMO NC(=O)CC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000077686866 494143640 /nfs/dbraw/zinc/14/36/40/494143640.db2.gz PLSFNAGVGGYOCR-HXUWFJFHSA-N 1 1 369.440 3.093 50 0 FGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)NCc3ccccc3F)CC2)c1 ZINC000064817995 494152074 /nfs/dbraw/zinc/15/20/74/494152074.db2.gz GDHCKUHSCXFWSC-UHFFFAOYSA-N 1 1 354.425 3.283 50 0 FGAAMO O=C(c1cncc(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1)N1CCCC1 ZINC000072427076 494171414 /nfs/dbraw/zinc/17/14/14/494171414.db2.gz QYFRBZJHRUZDGV-SFHVURJKSA-N 1 1 371.529 3.169 50 0 FGAAMO COCCC[N@@H+](Cc1ccc2cccc(OC)c2n1)C1CCN(C)CC1 ZINC000072434679 494175404 /nfs/dbraw/zinc/17/54/04/494175404.db2.gz XVIKIBARIVLWKF-UHFFFAOYSA-N 1 1 357.498 3.176 50 0 FGAAMO CN(C)Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)n1C ZINC000072480278 494182930 /nfs/dbraw/zinc/18/29/30/494182930.db2.gz WHOMCYRDOAWGGZ-QGZVFWFLSA-N 1 1 353.470 3.003 50 0 FGAAMO CC(C)c1noc([C@@H]2CCC[N@@H+](CCC(=O)NCc3cccs3)C2)n1 ZINC000065384113 494192666 /nfs/dbraw/zinc/19/26/66/494192666.db2.gz RTYROOKOJJJHAX-CQSZACIVSA-N 1 1 362.499 3.140 50 0 FGAAMO Cc1cc(NC(=O)CNC2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC000065405462 494193373 /nfs/dbraw/zinc/19/33/73/494193373.db2.gz ALJMNCRNEKRPTP-UHFFFAOYSA-N 1 1 372.900 3.236 50 0 FGAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838813 494193726 /nfs/dbraw/zinc/19/37/26/494193726.db2.gz WXOPLZPIBVMZNR-FQEVSTJZSA-N 1 1 370.541 3.124 50 0 FGAAMO CC(C)c1cncnc1N1CC[NH+](Cc2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC000065405629 494193734 /nfs/dbraw/zinc/19/37/34/494193734.db2.gz WAPRNEREZPFTEF-UHFFFAOYSA-N 1 1 363.465 3.176 50 0 FGAAMO CC[C@@H](O)Cn1cc(C2=CC[N@@H+](Cc3cccc4cccnc43)CC2)cn1 ZINC000065430854 494196218 /nfs/dbraw/zinc/19/62/18/494196218.db2.gz HIGYBHQOUPTBKJ-OAQYLSRUSA-N 1 1 362.477 3.492 50 0 FGAAMO CC(C)(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC000012206699 494214102 /nfs/dbraw/zinc/21/41/02/494214102.db2.gz MHNZRGMMBNEXJN-QFIPXVFZSA-N 1 1 372.509 3.432 50 0 FGAAMO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000065594782 494217062 /nfs/dbraw/zinc/21/70/62/494217062.db2.gz MQAAWJRKTVAXJB-AWEZNQCLSA-N 1 1 362.271 3.241 50 0 FGAAMO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000012301119 494221651 /nfs/dbraw/zinc/22/16/51/494221651.db2.gz DRFZZUJNSQIQOT-KRWDZBQOSA-N 1 1 370.497 3.456 50 0 FGAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000012301119 494221656 /nfs/dbraw/zinc/22/16/56/494221656.db2.gz DRFZZUJNSQIQOT-KRWDZBQOSA-N 1 1 370.497 3.456 50 0 FGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)CC1 ZINC000012372724 494228230 /nfs/dbraw/zinc/22/82/30/494228230.db2.gz GTYBLIRCXDAOHN-HNNXBMFYSA-N 1 1 367.440 3.462 50 0 FGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C(=O)c2ccco2)C1 ZINC000012597203 494245123 /nfs/dbraw/zinc/24/51/23/494245123.db2.gz QMVTVBUBLIJHHO-SFHVURJKSA-N 1 1 368.477 3.184 50 0 FGAAMO COc1ccc2c(CC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)coc2c1 ZINC000012776165 494257156 /nfs/dbraw/zinc/25/71/56/494257156.db2.gz LZFAJJSITZAKIQ-FQEVSTJZSA-N 1 1 364.445 3.499 50 0 FGAAMO COc1ccc2c(CC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)coc2c1 ZINC000012776165 494257161 /nfs/dbraw/zinc/25/71/61/494257161.db2.gz LZFAJJSITZAKIQ-FQEVSTJZSA-N 1 1 364.445 3.499 50 0 FGAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1F ZINC000012855938 494266039 /nfs/dbraw/zinc/26/60/39/494266039.db2.gz NICOUPDGUMFMHF-AWEZNQCLSA-N 1 1 358.413 3.364 50 0 FGAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1F ZINC000012855938 494266040 /nfs/dbraw/zinc/26/60/40/494266040.db2.gz NICOUPDGUMFMHF-AWEZNQCLSA-N 1 1 358.413 3.364 50 0 FGAAMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c2c(n1)onc2-c1ccccc1 ZINC000013641716 494291429 /nfs/dbraw/zinc/29/14/29/494291429.db2.gz ZXAHATSKZPFXGR-INIZCTEOSA-N 1 1 362.433 3.118 50 0 FGAAMO NC(=O)CCn1cc(C[NH2+]Cc2cc(-c3ccco3)on2)c2ccccc21 ZINC000055060580 494296348 /nfs/dbraw/zinc/29/63/48/494296348.db2.gz QAOLLBSRUJZANE-UHFFFAOYSA-N 1 1 364.405 3.055 50 0 FGAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000014093555 494302947 /nfs/dbraw/zinc/30/29/47/494302947.db2.gz DTXQHOUATZIJBG-CHWSQXEVSA-N 1 1 369.303 3.067 50 0 FGAAMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000014136400 494304949 /nfs/dbraw/zinc/30/49/49/494304949.db2.gz SHFLWQVYVOXPJO-GOSISDBHSA-N 1 1 367.493 3.393 50 0 FGAAMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000014136400 494304951 /nfs/dbraw/zinc/30/49/51/494304951.db2.gz SHFLWQVYVOXPJO-GOSISDBHSA-N 1 1 367.493 3.393 50 0 FGAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000014980691 494331783 /nfs/dbraw/zinc/33/17/83/494331783.db2.gz KCHAZVFHXKZAJT-LJQANCHMSA-N 1 1 368.477 3.102 50 0 FGAAMO Cn1c2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000015065445 494337016 /nfs/dbraw/zinc/33/70/16/494337016.db2.gz NEOPLJPWHBXRAY-QFIPXVFZSA-N 1 1 366.509 3.188 50 0 FGAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018249893 494431020 /nfs/dbraw/zinc/43/10/20/494431020.db2.gz OPEXISPVVKMWBP-FQEVSTJZSA-N 1 1 366.436 3.412 50 0 FGAAMO 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CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000020906453 521422083 /nfs/dbraw/zinc/42/20/83/521422083.db2.gz CQRBGGQIPMCDIO-OAQYLSRUSA-N 1 1 367.493 3.355 50 0 FGAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2)C1 ZINC000020906455 521425329 /nfs/dbraw/zinc/42/53/29/521425329.db2.gz CQRBGGQIPMCDIO-NRFANRHFSA-N 1 1 367.493 3.355 50 0 FGAAMO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000020906455 521425340 /nfs/dbraw/zinc/42/53/40/521425340.db2.gz CQRBGGQIPMCDIO-NRFANRHFSA-N 1 1 367.493 3.355 50 0 FGAAMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000020906455 521425347 /nfs/dbraw/zinc/42/53/47/521425347.db2.gz CQRBGGQIPMCDIO-NRFANRHFSA-N 1 1 367.493 3.355 50 0 FGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1conc1-c1ccccc1 ZINC000082120963 523148607 /nfs/dbraw/zinc/14/86/07/523148607.db2.gz ZBQRVXMJAMTIAX-LJQANCHMSA-N 1 1 361.445 3.470 50 0 FGAAMO C[C@@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@]1(O)C1CCC1 ZINC000091412174 524937309 /nfs/dbraw/zinc/93/73/09/524937309.db2.gz QFPSRFBUQGQTMN-QRWLVFNGSA-N 1 1 364.917 3.219 50 0 FGAAMO COc1coc(C[NH+]2CCC(c3nccn3CC3CCC3)CC2)cc1=O ZINC000091636148 524945369 /nfs/dbraw/zinc/94/53/69/524945369.db2.gz NJRGVBOGJABQBU-UHFFFAOYSA-N 1 1 357.454 3.025 50 0 FGAAMO COc1coc(CN2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1=O ZINC000091636148 524945380 /nfs/dbraw/zinc/94/53/80/524945380.db2.gz NJRGVBOGJABQBU-UHFFFAOYSA-N 1 1 357.454 3.025 50 0 FGAAMO CSc1nccc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)n1 ZINC000091595912 526222794 /nfs/dbraw/zinc/22/27/94/526222794.db2.gz SFXJVBJZQBTJHJ-UHFFFAOYSA-N 1 1 366.494 3.222 50 0 FGAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(-c2ccccc2Cl)o1 ZINC000091602322 526312626 /nfs/dbraw/zinc/31/26/26/526312626.db2.gz FJZAWXDXPKRNQK-CQSZACIVSA-N 1 1 362.857 3.034 50 0 FGAAMO O=C(CC[N@H+]1CCC[C@@H](c2nccn2CC2CC2)C1)NC1CCCCC1 ZINC000082096874 526486191 /nfs/dbraw/zinc/48/61/91/526486191.db2.gz YDECXZKNKWJXOA-GOSISDBHSA-N 1 1 358.530 3.312 50 0 FGAAMO O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000082097573 526587782 /nfs/dbraw/zinc/58/77/82/526587782.db2.gz BUUCCUVWKNTCKJ-KRWDZBQOSA-N 1 1 366.452 3.001 50 0 FGAAMO O=C1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C(=O)N1Cc1ccccc1 ZINC000000639860 527030002 /nfs/dbraw/zinc/03/00/02/527030002.db2.gz KDUADBBQCJSGBZ-FQEVSTJZSA-N 1 1 363.461 3.417 50 0 FGAAMO CC(C)(C)c1cc(C[N@H+]2CCCC23CCN(c2ncccn2)CC3)[nH]n1 ZINC000072440041 535105141 /nfs/dbraw/zinc/10/51/41/535105141.db2.gz VOUVHHDDGIFLQH-UHFFFAOYSA-N 1 1 354.502 3.132 50 0 FGAAMO CCNc1cc[nH+]c(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 ZINC000077320920 535527178 /nfs/dbraw/zinc/52/71/78/535527178.db2.gz GICVWHYKDQDZES-FQEVSTJZSA-N 1 1 357.502 3.060 50 0 FGAAMO CCc1cnc(C)nc1N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000092046568 536020294 /nfs/dbraw/zinc/02/02/94/536020294.db2.gz QYEGRAQHCKJNRD-UHFFFAOYSA-N 1 1 362.481 3.371 50 0 FGAAMO COc1cc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000216044482 568102458 /nfs/dbraw/zinc/10/24/58/568102458.db2.gz PSFUPIGSQWIPLV-KRWDZBQOSA-N 1 1 356.422 3.000 50 0 FGAAMO COc1cc(C[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000216044482 568102459 /nfs/dbraw/zinc/10/24/59/568102459.db2.gz PSFUPIGSQWIPLV-KRWDZBQOSA-N 1 1 356.422 3.000 50 0 FGAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)NCc1cc(-c2ccccc2Cl)no1 ZINC000222720085 568556771 /nfs/dbraw/zinc/55/67/71/568556771.db2.gz BEPJWAYOUWJFDP-KGLIPLIRSA-N 1 1 359.857 3.486 50 0 FGAAMO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000103341631 570847519 /nfs/dbraw/zinc/84/75/19/570847519.db2.gz ALBNVIAGSUTBAS-WBMJQRKESA-N 1 1 373.478 3.020 50 0 FGAAMO COc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000103341631 570847525 /nfs/dbraw/zinc/84/75/25/570847525.db2.gz ALBNVIAGSUTBAS-WBMJQRKESA-N 1 1 373.478 3.020 50 0 FGAAMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000105137386 570868510 /nfs/dbraw/zinc/86/85/10/570868510.db2.gz MVDRDUFKPWGGTQ-IIBYNOLFSA-N 1 1 356.441 3.094 50 0 FGAAMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000105137386 570868513 /nfs/dbraw/zinc/86/85/13/570868513.db2.gz MVDRDUFKPWGGTQ-IIBYNOLFSA-N 1 1 356.441 3.094 50 0 FGAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000048275419 570941620 /nfs/dbraw/zinc/94/16/20/570941620.db2.gz CXCMVDNWJVANLQ-GJZGRUSLSA-N 1 1 364.449 3.424 50 0 FGAAMO CN(C)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccs1 ZINC000048342425 570948247 /nfs/dbraw/zinc/94/82/47/570948247.db2.gz ICVQJVQMPLUUPD-ZIAGYGMSSA-N 1 1 366.556 3.014 50 0 FGAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000670473363 571057112 /nfs/dbraw/zinc/05/71/12/571057112.db2.gz UIVIHMUFTJBASK-NRFANRHFSA-N 1 1 372.534 3.061 50 0 FGAAMO Cc1cc(-c2cccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)ccc1Cl ZINC000426399443 571220333 /nfs/dbraw/zinc/22/03/33/571220333.db2.gz RCLNNIPEYSMYLG-IBGZPJMESA-N 1 1 371.912 3.291 50 0 FGAAMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)s1 ZINC000012315424 695605578 /nfs/dbraw/zinc/60/55/78/695605578.db2.gz UZBIMOVWWNGZPI-HXUWFJFHSA-N 1 1 355.507 3.466 50 0 FGAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCCC(=O)N1)C1CCCCC1 ZINC000193759417 222620651 /nfs/dbraw/zinc/62/06/51/222620651.db2.gz OZJNHYZIGVTPEF-IBGZPJMESA-N 1 1 357.498 3.448 50 0 FGAAMO CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000299794631 210035698 /nfs/dbraw/zinc/03/56/98/210035698.db2.gz KVIVDARUIWCAAR-INIZCTEOSA-N 1 1 372.513 3.212 50 0 FGAAMO COc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)c(OC)c1 ZINC000299778895 210022738 /nfs/dbraw/zinc/02/27/38/210022738.db2.gz PCGGDAYUFMDZKV-INIZCTEOSA-N 1 1 360.498 3.017 50 0 FGAAMO C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299774274 210020683 /nfs/dbraw/zinc/02/06/83/210020683.db2.gz FRKVZXWLQFLXBB-MRXNPFEDSA-N 1 1 362.433 3.222 50 0 FGAAMO Cc1ccc2nc(CNC(=O)c3ccc(C[NH+]4CCCC4)o3)[nH]c2c1C ZINC000299774792 210020960 /nfs/dbraw/zinc/02/09/60/210020960.db2.gz HWOOMFIRFSNKCZ-UHFFFAOYSA-N 1 1 352.438 3.299 50 0 FGAAMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012768350 220027494 /nfs/dbraw/zinc/02/74/94/220027494.db2.gz PBXDHAQYYXHVRR-PKOBYXMFSA-N 1 1 365.477 3.042 50 0 FGAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000019367332 220253978 /nfs/dbraw/zinc/25/39/78/220253978.db2.gz LOJQGJUWZYJAAE-LJQANCHMSA-N 1 1 374.912 3.206 50 0 FGAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C)c(C)c1)[NH+](C)C ZINC000023712217 211395109 /nfs/dbraw/zinc/39/51/09/211395109.db2.gz XMYAUHJKUYBBJS-LJQANCHMSA-N 1 1 356.466 3.110 50 0 FGAAMO OCC[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)CC[N@H+]1C1CCCC1 ZINC000023361288 211383201 /nfs/dbraw/zinc/38/32/01/211383201.db2.gz XFRDXLJHQSOANF-HXUWFJFHSA-N 1 1 357.473 3.185 50 0 FGAAMO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000022694273 211360994 /nfs/dbraw/zinc/36/09/94/211360994.db2.gz YCUKIKUBBWGDGX-QGZVFWFLSA-N 1 1 373.522 3.205 50 0 FGAAMO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)[C@@H]1C ZINC000023039705 211374494 /nfs/dbraw/zinc/37/44/94/211374494.db2.gz OTSHEHGDQQNWSR-MBOZVWFJSA-N 1 1 371.525 3.278 50 0 FGAAMO CC(=O)c1cccc(CN2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)c1 ZINC000022918485 211369726 /nfs/dbraw/zinc/36/97/26/211369726.db2.gz GSYKRRSWMRNTND-QFIPXVFZSA-N 1 1 351.494 3.423 50 0 FGAAMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000021700038 211321426 /nfs/dbraw/zinc/32/14/26/211321426.db2.gz HSSVXWQZPCNZIE-MRXNPFEDSA-N 1 1 372.412 3.287 50 0 FGAAMO COc1ccc(-n2cc(C[N@H+]3CC[C@@H](O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000020909229 211299382 /nfs/dbraw/zinc/29/93/82/211299382.db2.gz SZQHUECRRGJTDA-LJQANCHMSA-N 1 1 367.424 3.254 50 0 FGAAMO COc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c(OC)c1OC ZINC000020166123 211269502 /nfs/dbraw/zinc/26/95/02/211269502.db2.gz UGELKYVGOVQDAY-UHFFFAOYSA-N 1 1 356.466 3.425 50 0 FGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(OC(C)C)cc3)C[C@@H]2CCO)o1 ZINC000019731706 211251163 /nfs/dbraw/zinc/25/11/63/211251163.db2.gz HSWKGXWYALVYHK-FQEVSTJZSA-N 1 1 372.509 3.444 50 0 FGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(OC(C)C)cc3)C[C@@H]2CCO)o1 ZINC000019731706 211251166 /nfs/dbraw/zinc/25/11/66/211251166.db2.gz HSWKGXWYALVYHK-FQEVSTJZSA-N 1 1 372.509 3.444 50 0 FGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C[C@@H]2CCO)o1 ZINC000019731706 211251170 /nfs/dbraw/zinc/25/11/70/211251170.db2.gz HSWKGXWYALVYHK-FQEVSTJZSA-N 1 1 372.509 3.444 50 0 FGAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc(OC(C)C)cc3)C[C@@H]2CCO)o1 ZINC000019731706 211251177 /nfs/dbraw/zinc/25/11/77/211251177.db2.gz HSWKGXWYALVYHK-FQEVSTJZSA-N 1 1 372.509 3.444 50 0 FGAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000019641707 211242582 /nfs/dbraw/zinc/24/25/82/211242582.db2.gz PPUBLUYZKZAXTH-JOCHJYFZSA-N 1 1 368.521 3.197 50 0 FGAAMO CCn1ncc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000015073031 211120343 /nfs/dbraw/zinc/12/03/43/211120343.db2.gz PZHNGORZKIBURX-LRQRDZAKSA-N 1 1 350.466 3.154 50 0 FGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+]1C1Cc2ccccc2C1 ZINC000015075027 211118645 /nfs/dbraw/zinc/11/86/45/211118645.db2.gz CHROQAZMZWVOIO-QFIPXVFZSA-N 1 1 372.472 3.443 50 0 FGAAMO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000014325703 211091243 /nfs/dbraw/zinc/09/12/43/211091243.db2.gz FMJKVMCVHIALRY-HNNXBMFYSA-N 1 1 358.482 3.037 50 0 FGAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000014185393 211082632 /nfs/dbraw/zinc/08/26/32/211082632.db2.gz UZTCSTTZADVDAN-ZDUSSCGKSA-N 1 1 371.391 3.177 50 0 FGAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000014185393 211082635 /nfs/dbraw/zinc/08/26/35/211082635.db2.gz UZTCSTTZADVDAN-ZDUSSCGKSA-N 1 1 371.391 3.177 50 0 FGAAMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2c(n1)onc2-c1ccccc1 ZINC000013641713 211045635 /nfs/dbraw/zinc/04/56/35/211045635.db2.gz ZXAHATSKZPFXGR-MRXNPFEDSA-N 1 1 362.433 3.118 50 0 FGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000012910783 211006371 /nfs/dbraw/zinc/00/63/71/211006371.db2.gz ZKLIKLBUAMYPJU-CYBMUJFWSA-N 1 1 371.391 3.177 50 0 FGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000012910783 211006368 /nfs/dbraw/zinc/00/63/68/211006368.db2.gz ZKLIKLBUAMYPJU-CYBMUJFWSA-N 1 1 371.391 3.177 50 0 FGAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 ZINC000005229250 210608426 /nfs/dbraw/zinc/60/84/26/210608426.db2.gz OTZCKHMHVUZFRR-MRXNPFEDSA-N 1 1 369.425 3.252 50 0 FGAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003441928 210477560 /nfs/dbraw/zinc/47/75/60/210477560.db2.gz IAYJSMKPFXGSCP-SNVBAGLBSA-N 1 1 370.824 3.121 50 0 FGAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000002290113 210388079 /nfs/dbraw/zinc/38/80/79/210388079.db2.gz BPHWDJQEIDIICO-CQSZACIVSA-N 1 1 357.454 3.323 50 0 FGAAMO CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](C)C3 ZINC000019596623 220280414 /nfs/dbraw/zinc/28/04/14/220280414.db2.gz VNNKZMRDCBRRIP-UHFFFAOYSA-N 1 1 357.504 3.216 50 0 FGAAMO CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](C)C3 ZINC000019596623 220280420 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/nfs/dbraw/zinc/23/07/54/221230754.db2.gz LIXFOKQVUWWCIC-AWEZNQCLSA-N 1 1 350.890 3.071 50 0 FGAAMO CCc1cccc(NC(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c1 ZINC000067630264 221264000 /nfs/dbraw/zinc/26/40/00/221264000.db2.gz AZVOHOTYXOHZGJ-UHFFFAOYSA-N 1 1 368.485 3.181 50 0 FGAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+]1CCc3onc(-c4ccccc4)c3C1)O2 ZINC000067725675 221277514 /nfs/dbraw/zinc/27/75/14/221277514.db2.gz GIYSYHCSNFXUFI-MRXNPFEDSA-N 1 1 362.433 3.110 50 0 FGAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@H+]1CCc3onc(-c4ccccc4)c3C1)O2 ZINC000067725675 221277515 /nfs/dbraw/zinc/27/75/15/221277515.db2.gz GIYSYHCSNFXUFI-MRXNPFEDSA-N 1 1 362.433 3.110 50 0 FGAAMO CCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC000067689049 221271944 /nfs/dbraw/zinc/27/19/44/221271944.db2.gz NGALMHLQBYIDMP-OAQYLSRUSA-N 1 1 352.482 3.097 50 0 FGAAMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)Nc1nccs1 ZINC000067692355 221272496 /nfs/dbraw/zinc/27/24/96/221272496.db2.gz WEFQKYMTRQXPCG-ZDUSSCGKSA-N 1 1 355.467 3.228 50 0 FGAAMO Cn1nc([C@@H]2CCC[N@H+](C3CCCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067868629 221297191 /nfs/dbraw/zinc/29/71/91/221297191.db2.gz YPPQKWWYCRBSQZ-QGZVFWFLSA-N 1 1 354.498 3.473 50 0 FGAAMO O[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947121 221308254 /nfs/dbraw/zinc/30/82/54/221308254.db2.gz JHKGYTYKBOKKBL-VQTJNVASSA-N 1 1 362.429 3.314 50 0 FGAAMO C[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000069415535 221324793 /nfs/dbraw/zinc/32/47/93/221324793.db2.gz TVHKYVNZIHEPQL-GJZGRUSLSA-N 1 1 358.511 3.385 50 0 FGAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753681 221363684 /nfs/dbraw/zinc/36/36/84/221363684.db2.gz CKNLIQVZKLCKNI-GOSISDBHSA-N 1 1 373.516 3.089 50 0 FGAAMO COCC[NH+]1CCN(Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)CC1 ZINC000071752832 221364258 /nfs/dbraw/zinc/36/42/58/221364258.db2.gz HRFHZBUXZXYKTJ-UHFFFAOYSA-N 1 1 373.497 3.039 50 0 FGAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)on1 ZINC000071754021 221365570 /nfs/dbraw/zinc/36/55/70/221365570.db2.gz GXPLCYMYOBRLOT-SFHVURJKSA-N 1 1 359.445 3.495 50 0 FGAAMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000071779905 221374720 /nfs/dbraw/zinc/37/47/20/221374720.db2.gz IUOQXZWFUBHKHB-UHFFFAOYSA-N 1 1 366.440 3.011 50 0 FGAAMO CSc1nccc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n1 ZINC000091943760 132205162 /nfs/dbraw/zinc/20/51/62/132205162.db2.gz KBMLKFBLQFVZDT-UHFFFAOYSA-N 1 1 372.523 3.284 50 0 FGAAMO Cc1sc2ncnc(N3CCC([N@H+](C)Cc4cnn(C)c4)CC3)c2c1C ZINC000095370705 132208639 /nfs/dbraw/zinc/20/86/39/132208639.db2.gz FWWUCMDTEYFGEI-UHFFFAOYSA-N 1 1 370.526 3.142 50 0 FGAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000054147586 132376211 /nfs/dbraw/zinc/37/62/11/132376211.db2.gz CDQNYXJILKJGGC-UHFFFAOYSA-N 1 1 364.445 3.432 50 0 FGAAMO CCc1[nH]c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)[nH+]1 ZINC000004302837 132386698 /nfs/dbraw/zinc/38/66/98/132386698.db2.gz QAZCCCMUDHRLET-UHFFFAOYSA-N 1 1 353.392 3.017 50 0 FGAAMO CCCCOc1ccc(-c2cc3c(N4CC[NH+](C)CC4)nccn3n2)cc1 ZINC000033266326 136117640 /nfs/dbraw/zinc/11/76/40/136117640.db2.gz RSVGIPCQMAHPPB-UHFFFAOYSA-N 1 1 365.481 3.327 50 0 FGAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2nccc3ncccc32)CC1 ZINC000067787789 136137587 /nfs/dbraw/zinc/13/75/87/136137587.db2.gz GFUGWNGLPKIRCW-FNORWQNLSA-N 1 1 360.461 3.474 50 0 FGAAMO O=C1C[N@@H+](C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCCN1 ZINC000023251566 136152438 /nfs/dbraw/zinc/15/24/38/136152438.db2.gz RECWLIXPKVKDIA-UHFFFAOYSA-N 1 1 367.468 3.283 50 0 FGAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072454530 221537102 /nfs/dbraw/zinc/53/71/02/221537102.db2.gz RBTMVANAXFYKAA-LJQANCHMSA-N 1 1 360.542 3.440 50 0 FGAAMO CCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091255520 221749273 /nfs/dbraw/zinc/74/92/73/221749273.db2.gz HIAKXJBMFSHSTH-YLJYHZDGSA-N 1 1 365.477 3.217 50 0 FGAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000096138722 222042173 /nfs/dbraw/zinc/04/21/73/222042173.db2.gz STJYRJLWFJXKPT-GOSISDBHSA-N 1 1 364.493 3.381 50 0 FGAAMO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2 ZINC000096138722 222042177 /nfs/dbraw/zinc/04/21/77/222042177.db2.gz STJYRJLWFJXKPT-GOSISDBHSA-N 1 1 364.493 3.381 50 0 FGAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2 ZINC000096138722 222042181 /nfs/dbraw/zinc/04/21/81/222042181.db2.gz STJYRJLWFJXKPT-GOSISDBHSA-N 1 1 364.493 3.381 50 0 FGAAMO CCSc1ncc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)cn1 ZINC000097532844 222189607 /nfs/dbraw/zinc/18/96/07/222189607.db2.gz LPXZZUKFDDEWIX-UHFFFAOYSA-N 1 1 354.479 3.075 50 0 FGAAMO C[NH+]1CCN(C2(CNC(=O)Nc3cc(F)cc(Cl)c3)CCCC2)CC1 ZINC000097347346 222176913 /nfs/dbraw/zinc/17/69/13/222176913.db2.gz NVOKFAUMWIUWAM-UHFFFAOYSA-N 1 1 368.884 3.161 50 0 FGAAMO CN(CCCOc1ccccc1)C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000097578592 222193886 /nfs/dbraw/zinc/19/38/86/222193886.db2.gz QILWXIASCRFTFQ-HXUWFJFHSA-N 1 1 353.466 3.146 50 0 FGAAMO CC[N@@H+](Cc1ccc(Sc2nncn2C)o1)[C@H]1CCOC(C)(C)C1 ZINC000097642568 222201554 /nfs/dbraw/zinc/20/15/54/222201554.db2.gz QYRIAWAQFCVPFY-ZDUSSCGKSA-N 1 1 350.488 3.339 50 0 FGAAMO CN1CCN([C@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000097773110 222211986 /nfs/dbraw/zinc/21/19/86/222211986.db2.gz GXTTWWGMTLKJGW-QFIPXVFZSA-N 1 1 365.521 3.087 50 0 FGAAMO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097797701 222214662 /nfs/dbraw/zinc/21/46/62/222214662.db2.gz ATEQVXRHAJSTQN-HXUWFJFHSA-N 1 1 358.445 3.239 50 0 FGAAMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000100386976 222243424 /nfs/dbraw/zinc/24/34/24/222243424.db2.gz GRTOGORTSDXSFK-RXMXQMHTSA-N 1 1 352.434 3.179 50 0 biogenic,in-vitro FGAAMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000100386976 222243426 /nfs/dbraw/zinc/24/34/26/222243426.db2.gz GRTOGORTSDXSFK-RXMXQMHTSA-N 1 1 352.434 3.179 50 0 biogenic,in-vitro FGAAMO CC(C)=CC[N@H+]1CCN(Cc2ccccc2OC(F)F)C[C@H]1CCO ZINC000104370635 222355776 /nfs/dbraw/zinc/35/57/76/222355776.db2.gz DRMLOEYRJIPDTI-QGZVFWFLSA-N 1 1 354.441 3.123 50 0 FGAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000075920625 493795876 /nfs/dbraw/zinc/79/58/76/493795876.db2.gz LGVIGLDCYPUSSO-HIFRSBDPSA-N 1 1 358.454 3.120 50 0 FGAAMO C[C@@H]1C[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000028842705 493803726 /nfs/dbraw/zinc/80/37/26/493803726.db2.gz SMXCUFSAWVVLEP-HDICACEKSA-N 1 1 352.478 3.392 50 0 FGAAMO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC(F)F ZINC000058174427 493830615 /nfs/dbraw/zinc/83/06/15/493830615.db2.gz AMHPPYSNQOROEV-ZDUSSCGKSA-N 1 1 356.413 3.147 50 0 FGAAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000058201627 493832714 /nfs/dbraw/zinc/83/27/14/493832714.db2.gz CLDULGAWCNJXDM-INIZCTEOSA-N 1 1 358.461 3.170 50 0 FGAAMO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)cs2)o1 ZINC000058231898 493836906 /nfs/dbraw/zinc/83/69/06/493836906.db2.gz NKJNUZMKKCLZTG-HNNXBMFYSA-N 1 1 361.511 3.491 50 0 FGAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@@H]1CCc2ccccc21 ZINC000029485594 493841045 /nfs/dbraw/zinc/84/10/45/493841045.db2.gz OQQRSZLHWGXJIJ-HXUWFJFHSA-N 1 1 363.461 3.137 50 0 FGAAMO CCc1ccc(Cl)c(CC)c1NC(=O)NCCC[NH+]1CCOCC1 ZINC000058356291 493845887 /nfs/dbraw/zinc/84/58/87/493845887.db2.gz DSMWAJSRPFIATI-UHFFFAOYSA-N 1 1 353.894 3.309 50 0 FGAAMO CN(C(=O)OCc1ccccc1)[C@H](C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000004266519 493870138 /nfs/dbraw/zinc/87/01/38/493870138.db2.gz XXJCJEOBWAOPCT-VQTJNVASSA-N 1 1 354.450 3.063 50 0 FGAAMO CCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000004723245 493890453 /nfs/dbraw/zinc/89/04/53/493890453.db2.gz ZMMHFZYBORXNGO-HXUWFJFHSA-N 1 1 357.542 3.231 50 0 FGAAMO CCCN1CCC([N@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000004723245 493890458 /nfs/dbraw/zinc/89/04/58/493890458.db2.gz ZMMHFZYBORXNGO-HXUWFJFHSA-N 1 1 357.542 3.231 50 0 FGAAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccsc1 ZINC000030435209 493891683 /nfs/dbraw/zinc/89/16/83/493891683.db2.gz OZJDGGYQVAQAJT-QGZVFWFLSA-N 1 1 352.525 3.418 50 0 FGAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)c1ccsc1 ZINC000030435172 493891757 /nfs/dbraw/zinc/89/17/57/493891757.db2.gz OHZLKWSEEJHFFV-INIZCTEOSA-N 1 1 356.488 3.249 50 0 FGAAMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000030499678 493893484 /nfs/dbraw/zinc/89/34/84/493893484.db2.gz IKENNZZXJZHDDF-FQEVSTJZSA-N 1 1 358.507 3.147 50 0 FGAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000004842960 493895167 /nfs/dbraw/zinc/89/51/67/493895167.db2.gz NMUMWYXETLEFKL-UHFFFAOYSA-N 1 1 359.857 3.353 50 0 FGAAMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000031157679 493928057 /nfs/dbraw/zinc/92/80/57/493928057.db2.gz IMOFKTFATVTVJB-UHFFFAOYSA-N 1 1 357.429 3.342 50 0 FGAAMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000031157679 493928062 /nfs/dbraw/zinc/92/80/62/493928062.db2.gz 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COc1cccc(C[C@@H]2C[N@@H+](Cc3ccc(NC(C)=O)cc3)CCO2)c1 ZINC000014976119 211110255 /nfs/dbraw/zinc/11/02/55/211110255.db2.gz ZYWRGNFLBFTGCA-OAQYLSRUSA-N 1 1 354.450 3.097 50 0 FGAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000014093558 211071538 /nfs/dbraw/zinc/07/15/38/211071538.db2.gz DTXQHOUATZIJBG-STQMWFEESA-N 1 1 369.303 3.067 50 0 FGAAMO CC[NH+](CC)CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000019535142 220267787 /nfs/dbraw/zinc/26/77/87/220267787.db2.gz VNNRAIRFZMNSHW-TZWRJOPASA-N 1 1 360.457 3.178 50 0 FGAAMO O=C(NCCc1c[nH]c2ccccc12)NCC[N@H+]1CCc2ccccc2C1 ZINC000012933734 211011055 /nfs/dbraw/zinc/01/10/55/211011055.db2.gz OGXPSQXPRAWORP-UHFFFAOYSA-N 1 1 362.477 3.068 50 0 FGAAMO CC(C)n1ncc2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC000012907167 211005914 /nfs/dbraw/zinc/00/59/14/211005914.db2.gz SCPGHLUXFRASRS-IBGZPJMESA-N 1 1 363.465 3.017 50 0 FGAAMO COC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000019793719 220295773 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c1coc(-c2cccc(N3CCC([NH2+]CCSc4cn[nH]n4)CC3)c2)c1 ZINC000023505207 136153021 /nfs/dbraw/zinc/15/30/21/136153021.db2.gz JCVHIBHUDDGCAJ-UHFFFAOYSA-N 1 1 369.494 3.415 50 0 FGAAMO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CC[C@@](O)(CO)C2)c1 ZINC000072473183 221545404 /nfs/dbraw/zinc/54/54/04/221545404.db2.gz WNADBZLQOZSXBA-QHCPKHFHSA-N 1 1 362.473 3.448 50 0 FGAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc(C)no3)C2)c(C)c1 ZINC000095529924 221956114 /nfs/dbraw/zinc/95/61/14/221956114.db2.gz ARZQREKSJFHOCL-MRXNPFEDSA-N 1 1 372.469 3.326 50 0 FGAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)c(C)c1 ZINC000095529924 221956116 /nfs/dbraw/zinc/95/61/16/221956116.db2.gz ARZQREKSJFHOCL-MRXNPFEDSA-N 1 1 372.469 3.326 50 0 FGAAMO CSCCc1nc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n(C2CCCCC2)n1 ZINC000096162276 222061577 /nfs/dbraw/zinc/06/15/77/222061577.db2.gz UBHLMQJEMQZEFC-IYBDPMFKSA-N 1 1 366.575 3.341 50 0 FGAAMO CSCCc1nc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n(C2CCCCC2)n1 ZINC000096162276 222061581 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Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000098211919 222232147 /nfs/dbraw/zinc/23/21/47/222232147.db2.gz NKEOYQYWXMTCTD-QGZVFWFLSA-N 1 1 352.438 3.167 50 0 FGAAMO CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000107064447 222390099 /nfs/dbraw/zinc/39/00/99/222390099.db2.gz LGVIGLDCYPUSSO-DZGCQCFKSA-N 1 1 358.454 3.120 50 0 FGAAMO CCOc1ccccc1C(=O)NCC1(N2CC[NH+](CC)CC2)CCCCC1 ZINC000028292927 493783808 /nfs/dbraw/zinc/78/38/08/493783808.db2.gz YGTKBUSFMKESCS-UHFFFAOYSA-N 1 1 373.541 3.156 50 0 FGAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)cc1 ZINC000003042012 493829058 /nfs/dbraw/zinc/82/90/58/493829058.db2.gz QSWCVSGVNKNHAR-UHFFFAOYSA-N 1 1 363.527 3.365 50 0 FGAAMO COc1ccc(S[C@H](C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058197998 493831784 /nfs/dbraw/zinc/83/17/84/493831784.db2.gz DBXFSLOWSSAKNL-HZPDHXFCSA-N 1 1 350.528 3.412 50 0 FGAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058192492 493831834 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3.439 50 0 FGAAMO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)s1 ZINC000072150807 494136113 /nfs/dbraw/zinc/13/61/13/494136113.db2.gz VKDXFXBMRAQETJ-CQSZACIVSA-N 1 1 366.918 3.439 50 0 FGAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000040161538 494138797 /nfs/dbraw/zinc/13/87/97/494138797.db2.gz XVMUQATYPNJDQV-AWEZNQCLSA-N 1 1 364.877 3.455 50 0 FGAAMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000040161538 494138800 /nfs/dbraw/zinc/13/88/00/494138800.db2.gz XVMUQATYPNJDQV-AWEZNQCLSA-N 1 1 364.877 3.455 50 0 FGAAMO Fc1cccnc1CN1CCCn2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072161467 494139123 /nfs/dbraw/zinc/13/91/23/494139123.db2.gz NGSFKVQQCDODJK-AEFFLSMTSA-N 1 1 369.488 3.198 50 0 FGAAMO C[NH+](C)Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC000072258578 494146913 /nfs/dbraw/zinc/14/69/13/494146913.db2.gz AELJMSVTQAFJCK-UHFFFAOYSA-N 1 1 350.422 3.303 50 0 FGAAMO c1ccc(CC[N@@H+]2CC[C@H](NCc3ccc4c(c3)OCCCO4)C2)cc1 ZINC000072312313 494150481 /nfs/dbraw/zinc/15/04/81/494150481.db2.gz PVWAICWUJJFLQH-FQEVSTJZSA-N 1 1 352.478 3.255 50 0 FGAAMO c1ccc(CC[N@H+]2CC[C@H](NCc3ccc4c(c3)OCCCO4)C2)cc1 ZINC000072312313 494150486 /nfs/dbraw/zinc/15/04/86/494150486.db2.gz PVWAICWUJJFLQH-FQEVSTJZSA-N 1 1 352.478 3.255 50 0 FGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccccc1-c1ncc[nH]1 ZINC000072412397 494167013 /nfs/dbraw/zinc/16/70/13/494167013.db2.gz UCCFOXWNRZTROU-SFHVURJKSA-N 1 1 360.461 3.205 50 0 FGAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053846458 494172003 /nfs/dbraw/zinc/17/20/03/494172003.db2.gz ATEMWHHRNURHSO-HNNXBMFYSA-N 1 1 353.466 3.074 50 0 FGAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)c1 ZINC000072438426 494175006 /nfs/dbraw/zinc/17/50/06/494175006.db2.gz DKJZAQNVUGAQNU-FQEVSTJZSA-N 1 1 356.445 3.117 50 0 FGAAMO Cc1[nH+]ccn1CC1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072457209 494177433 /nfs/dbraw/zinc/17/74/33/494177433.db2.gz PUQDFOXGOBUPFL-UHFFFAOYSA-N 1 1 369.509 3.447 50 0 FGAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072454392 494177962 /nfs/dbraw/zinc/17/79/62/494177962.db2.gz TUOPCABNDUIYBP-OAQYLSRUSA-N 1 1 366.505 3.177 50 0 FGAAMO CCN1CC[NH+](C[C@H]2CC[C@@H](Cc3ccc4nc(C)ccc4c3)O2)CC1 ZINC000072481179 494182508 /nfs/dbraw/zinc/18/25/08/494182508.db2.gz NOZDAODMUFMZAR-LEWJYISDSA-N 1 1 353.510 3.271 50 0 FGAAMO CN(C)Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1C ZINC000072479960 494182759 /nfs/dbraw/zinc/18/27/59/494182759.db2.gz AOPUNPSANRFRQM-AWEZNQCLSA-N 1 1 365.884 3.049 50 0 FGAAMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000011915361 494197381 /nfs/dbraw/zinc/19/73/81/494197381.db2.gz UKOAWUKHBSXXDA-ZDUSSCGKSA-N 1 1 359.369 3.242 50 0 FGAAMO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)s1 ZINC000012026248 494200624 /nfs/dbraw/zinc/20/06/24/494200624.db2.gz GNJMVJAZRDDVNP-LBPRGKRZSA-N 1 1 370.950 3.133 50 0 FGAAMO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)s1 ZINC000012026248 494200628 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FGAAMO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000042985837 494255835 /nfs/dbraw/zinc/25/58/35/494255835.db2.gz CCWLWWTVCYEPST-OAHLLOKOSA-N 1 1 368.886 3.357 50 0 FGAAMO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000012773170 494257246 /nfs/dbraw/zinc/25/72/46/494257246.db2.gz YBGWPEBAERAPML-GOSISDBHSA-N 1 1 367.493 3.291 50 0 FGAAMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000012773170 494257254 /nfs/dbraw/zinc/25/72/54/494257254.db2.gz YBGWPEBAERAPML-GOSISDBHSA-N 1 1 367.493 3.291 50 0 FGAAMO C[C@@H](OC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000079104135 494404516 /nfs/dbraw/zinc/40/45/16/494404516.db2.gz APYBNQQSIMTJPP-IEBWSBKVSA-N 1 1 372.509 3.231 50 0 FGAAMO OCC[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CCN1Cc1ccc(F)cc1 ZINC000019771103 494459616 /nfs/dbraw/zinc/45/96/16/494459616.db2.gz LHQIVGHOYAFRSC-FQEVSTJZSA-N 1 1 367.468 3.376 50 0 FGAAMO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000019771045 494460379 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CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccon3)CC2)C1 ZINC000091473817 494605508 /nfs/dbraw/zinc/60/55/08/494605508.db2.gz XVLWZNJXZVMEOP-SFHVURJKSA-N 1 1 353.466 3.406 50 0 FGAAMO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000091505836 494610853 /nfs/dbraw/zinc/61/08/53/494610853.db2.gz YXZCCRHMBFBELL-RBUKOAKNSA-N 1 1 368.525 3.319 50 0 FGAAMO CCn1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1C ZINC000091724269 494657995 /nfs/dbraw/zinc/65/79/95/494657995.db2.gz MPDKEQPDUNABJI-UYAOXDASSA-N 1 1 366.509 3.256 50 0 FGAAMO Cc1[nH+]ccn1CCC1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000091745954 494664688 /nfs/dbraw/zinc/66/46/88/494664688.db2.gz VETNMNNMTVMBPL-LJQANCHMSA-N 1 1 353.466 3.072 50 0 FGAAMO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@@H+]2CCOCc2ccccc2)C1 ZINC000091756359 494666620 /nfs/dbraw/zinc/66/66/20/494666620.db2.gz WKSJNSDFIVZGCL-LEWJYISDSA-N 1 1 369.509 3.404 50 0 FGAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(CCOCc1ccccc1)C2 ZINC000091756359 494666626 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50 0 FGAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000025562820 494756418 /nfs/dbraw/zinc/75/64/18/494756418.db2.gz OPNPFBPYHIHYMD-OAQYLSRUSA-N 1 1 366.505 3.292 50 0 FGAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000025562816 494757246 /nfs/dbraw/zinc/75/72/46/494757246.db2.gz OPNPFBPYHIHYMD-NRFANRHFSA-N 1 1 366.505 3.292 50 0 FGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nnc(-c2oc3c(cccc3C)c2C)o1 ZINC000075437553 494763942 /nfs/dbraw/zinc/76/39/42/494763942.db2.gz ZSYJHULWTUAKCK-AWEZNQCLSA-N 1 1 368.437 3.314 50 0 FGAAMO CCn1nc(C(C)C)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000092038439 494764437 /nfs/dbraw/zinc/76/44/37/494764437.db2.gz BXFRNKIFMSZEHW-HNNXBMFYSA-N 1 1 360.527 3.482 50 0 FGAAMO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570574 494874615 /nfs/dbraw/zinc/87/46/15/494874615.db2.gz OGKIRMNIMRGKJG-DLBZAZTESA-N 1 1 357.498 3.175 50 0 FGAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(=O)c2ccccc2o1 ZINC000027604576 494876971 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Cc1ccc2onc(CNC(=O)NCC[N@H+](C)Cc3ccccc3)c2c1 ZINC000006866157 263348094 /nfs/dbraw/zinc/34/80/94/263348094.db2.gz QVGCPWDYVKWWPM-UHFFFAOYSA-N 1 1 352.438 3.067 50 0 FGAAMO O=C(CSc1nc2ccccc2[nH]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023005726 263386691 /nfs/dbraw/zinc/38/66/91/263386691.db2.gz JRNAGSAMGTYNJV-INIZCTEOSA-N 1 1 366.490 3.046 50 0 FGAAMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000058413046 263416001 /nfs/dbraw/zinc/41/60/01/263416001.db2.gz TVXSXUZDWPYTTP-UHFFFAOYSA-N 1 1 366.889 3.448 50 0 FGAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3cc(C4CCCCC4)no3)C2)n1 ZINC000426531776 263623048 /nfs/dbraw/zinc/62/30/48/263623048.db2.gz PGQFAZJABYWJLO-QGZVFWFLSA-N 1 1 358.486 3.291 50 0 FGAAMO Cc1noc(C)c1CN(C)C(=O)NCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000426535261 263625195 /nfs/dbraw/zinc/62/51/95/263625195.db2.gz VHDKZVCVWFFZAX-LJQANCHMSA-N 1 1 370.497 3.312 50 0 FGAAMO C[C@H](CNC(=O)C1CCN(c2nc3ccccc3s2)CC1)[N@@H+](C)C1CC1 ZINC000057702041 493787953 /nfs/dbraw/zinc/78/79/53/493787953.db2.gz WYMHWNKRWDQBIU-CQSZACIVSA-N 1 1 372.538 3.112 50 0 FGAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000002294505 493804373 /nfs/dbraw/zinc/80/43/73/493804373.db2.gz HZKUUCYPUXPHFK-UHFFFAOYSA-N 1 1 357.454 3.323 50 0 FGAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000002288435 493804621 /nfs/dbraw/zinc/80/46/21/493804621.db2.gz ITAMNCHIKFTKGY-GFCCVEGCSA-N 1 1 361.417 3.154 50 0 FGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c21 ZINC000002416676 493807913 /nfs/dbraw/zinc/80/79/13/493807913.db2.gz VIIYLNWVQAGWPH-ZDUSSCGKSA-N 1 1 373.453 3.166 50 0 FGAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000029153000 493820026 /nfs/dbraw/zinc/82/00/26/493820026.db2.gz UPLZIOKLMGITPC-INIZCTEOSA-N 1 1 370.449 3.370 50 0 FGAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000029153000 493820029 /nfs/dbraw/zinc/82/00/29/493820029.db2.gz UPLZIOKLMGITPC-INIZCTEOSA-N 1 1 370.449 3.370 50 0 FGAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C)C2)n(-c2nc3ccccc3s2)n1 ZINC000003217328 493832838 /nfs/dbraw/zinc/83/28/38/493832838.db2.gz BDIUWOMOZRGJHE-ZDUSSCGKSA-N 1 1 369.494 3.461 50 0 FGAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)n(-c2nc3ccccc3s2)n1 ZINC000003217328 493832844 /nfs/dbraw/zinc/83/28/44/493832844.db2.gz BDIUWOMOZRGJHE-ZDUSSCGKSA-N 1 1 369.494 3.461 50 0 FGAAMO CC(C)c1ncc(Cl)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000058391590 493849067 /nfs/dbraw/zinc/84/90/67/493849067.db2.gz USDNLMMSFLAMIL-UHFFFAOYSA-N 1 1 372.900 3.432 50 0 FGAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(s1)c1ccccc1[nH]c2=O ZINC000004929519 493900682 /nfs/dbraw/zinc/90/06/82/493900682.db2.gz TXVJXYMVZDKLMI-UHFFFAOYSA-N 1 1 357.479 3.205 50 0 FGAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CN1CCCO ZINC000082096411 493978171 /nfs/dbraw/zinc/97/81/71/493978171.db2.gz JRFBLDMXDJSAMG-IBGZPJMESA-N 1 1 368.880 3.066 50 0 FGAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000006771939 493978903 /nfs/dbraw/zinc/97/89/03/493978903.db2.gz PXIOFNVUUUMRGW-UHFFFAOYSA-N 1 1 371.506 3.215 50 0 FGAAMO Cc1cc(C)c2nc(-c3cn[nH]c3)cc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000032516079 493994636 /nfs/dbraw/zinc/99/46/36/493994636.db2.gz WFBVEXPEJANQKY-MRXNPFEDSA-N 1 1 363.465 3.066 50 0 FGAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000032911494 494026998 /nfs/dbraw/zinc/02/69/98/494026998.db2.gz HCRFSNZVPAKJGD-GOSISDBHSA-N 1 1 354.450 3.098 50 0 FGAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2C)c(OC)c1 ZINC000007742015 494039500 /nfs/dbraw/zinc/03/95/00/494039500.db2.gz UFYYJDOVZDLPQM-HXUWFJFHSA-N 1 1 368.477 3.466 50 0 FGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccc2C)c(OC)c1 ZINC000007742015 494039503 /nfs/dbraw/zinc/03/95/03/494039503.db2.gz UFYYJDOVZDLPQM-HXUWFJFHSA-N 1 1 368.477 3.466 50 0 FGAAMO COc1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)c2ccccc12 ZINC000077284624 494049145 /nfs/dbraw/zinc/04/91/45/494049145.db2.gz KQDDGWIEJSUFIV-UHFFFAOYSA-N 1 1 354.494 3.393 50 0 FGAAMO Cc1cc(C)c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cn1 ZINC000077343164 494061760 /nfs/dbraw/zinc/06/17/60/494061760.db2.gz ZUBIKOOXMDEMOL-UHFFFAOYSA-N 1 1 351.494 3.479 50 0 FGAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000008040341 494062361 /nfs/dbraw/zinc/06/23/61/494062361.db2.gz BPGLCSOARPRZHS-HZPDHXFCSA-N 1 1 355.482 3.029 50 0 FGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000077379909 494071223 /nfs/dbraw/zinc/07/12/23/494071223.db2.gz VJOLBRYVCOAFJX-LJQANCHMSA-N 1 1 353.466 3.022 50 0 FGAAMO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077392437 494074443 /nfs/dbraw/zinc/07/44/43/494074443.db2.gz FIPYJSGPYLPGKP-LJQANCHMSA-N 1 1 352.482 3.239 50 0 FGAAMO O=C(c1ccc2nccnc2c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077393888 494075481 /nfs/dbraw/zinc/07/54/81/494075481.db2.gz RWXYNIADQJMGTA-UHFFFAOYSA-N 1 1 364.424 3.117 50 0 FGAAMO O=C(c1ccc2nccnc2c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077393888 494075485 /nfs/dbraw/zinc/07/54/85/494075485.db2.gz RWXYNIADQJMGTA-UHFFFAOYSA-N 1 1 364.424 3.117 50 0 FGAAMO COCCC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1C ZINC000036031065 494084273 /nfs/dbraw/zinc/08/42/73/494084273.db2.gz PHTVNAUPEUZOQQ-IBGZPJMESA-N 1 1 361.457 3.413 50 0 FGAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036097018 494086950 /nfs/dbraw/zinc/08/69/50/494086950.db2.gz UZOQXQJVKDYUBB-SFTDATJTSA-N 1 1 355.478 3.416 50 0 FGAAMO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COC(C)C)c1OC ZINC000036103600 494087073 /nfs/dbraw/zinc/08/70/73/494087073.db2.gz AUNGRZQIFZYACQ-KRWDZBQOSA-N 1 1 363.454 3.085 50 0 FGAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COC(C)C)c1OC ZINC000036103600 494087076 /nfs/dbraw/zinc/08/70/76/494087076.db2.gz AUNGRZQIFZYACQ-KRWDZBQOSA-N 1 1 363.454 3.085 50 0 FGAAMO Cc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000036100613 494087104 /nfs/dbraw/zinc/08/71/04/494087104.db2.gz JTZPWUQHJQEMMT-UNMCSNQZSA-N 1 1 355.478 3.416 50 0 FGAAMO C[C@H]1CN(C(=O)C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000036437930 494092904 /nfs/dbraw/zinc/09/29/04/494092904.db2.gz MVDRDUFKPWGGTQ-HRAATJIYSA-N 1 1 356.441 3.094 50 0 FGAAMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000036437930 494092908 /nfs/dbraw/zinc/09/29/08/494092908.db2.gz MVDRDUFKPWGGTQ-HRAATJIYSA-N 1 1 356.441 3.094 50 0 FGAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000036699926 494095772 /nfs/dbraw/zinc/09/57/72/494095772.db2.gz PFIILUOJOPBNGC-SFHVURJKSA-N 1 1 360.404 3.158 50 0 FGAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000036699926 494095773 /nfs/dbraw/zinc/09/57/73/494095773.db2.gz PFIILUOJOPBNGC-SFHVURJKSA-N 1 1 360.404 3.158 50 0 FGAAMO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)NC(=O)Nc1ccccc1 ZINC000008726146 494101466 /nfs/dbraw/zinc/10/14/66/494101466.db2.gz VJRUUCIBOWCXQM-UHFFFAOYSA-N 1 1 367.449 3.016 50 0 FGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000009446044 494124406 /nfs/dbraw/zinc/12/44/06/494124406.db2.gz WOIOIUAQPSZQSN-CQSZACIVSA-N 1 1 353.401 3.038 50 0 FGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000009446044 494124409 /nfs/dbraw/zinc/12/44/09/494124409.db2.gz WOIOIUAQPSZQSN-CQSZACIVSA-N 1 1 353.401 3.038 50 0 FGAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(F)ccc2F)CC1 ZINC000040089845 494130952 /nfs/dbraw/zinc/13/09/52/494130952.db2.gz KKBCRXFSYWCOMI-UHFFFAOYSA-N 1 1 373.447 3.032 50 0 FGAAMO COc1ccc(C[NH+]2CCN(C[C@H](O)c3ccccc3Cl)CC2)cc1 ZINC000040105773 494131723 /nfs/dbraw/zinc/13/17/23/494131723.db2.gz XFVPTHNDYLOJCQ-FQEVSTJZSA-N 1 1 360.885 3.200 50 0 FGAAMO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cnc(N(C)C)nc4)C3)nc21 ZINC000072144862 494132963 /nfs/dbraw/zinc/13/29/63/494132963.db2.gz NLFSELQIAZVNOR-MRXNPFEDSA-N 1 1 350.470 3.107 50 0 FGAAMO Cc1cccc2nc([C@@H]3CCC[N@@H+](Cc4cnc(N(C)C)nc4)C3)[nH]c21 ZINC000072144862 494132968 /nfs/dbraw/zinc/13/29/68/494132968.db2.gz NLFSELQIAZVNOR-MRXNPFEDSA-N 1 1 350.470 3.107 50 0 FGAAMO Cc1cccc2nc([C@@H]3CCC[N@H+](Cc4cnc(N(C)C)nc4)C3)[nH]c21 ZINC000072144862 494132971 /nfs/dbraw/zinc/13/29/71/494132971.db2.gz NLFSELQIAZVNOR-MRXNPFEDSA-N 1 1 350.470 3.107 50 0 FGAAMO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000040120656 494133975 /nfs/dbraw/zinc/13/39/75/494133975.db2.gz WQMKENBKLWQISP-LSDHHAIUSA-N 1 1 362.474 3.497 50 0 FGAAMO Fc1cccc([C@@H]2CN(Cc3cscn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000072156261 494136770 /nfs/dbraw/zinc/13/67/70/494136770.db2.gz WQGGYXRZLDHHQA-KFKAGJAMSA-N 1 1 361.461 3.484 50 0 FGAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072158446 494138583 /nfs/dbraw/zinc/13/85/83/494138583.db2.gz ZBMFEKQEAKSYAO-FQEVSTJZSA-N 1 1 372.444 3.093 50 0 FGAAMO C[N@@H+](CCCNC(=O)c1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC000009983420 494139400 /nfs/dbraw/zinc/13/94/00/494139400.db2.gz COPOHAAWQLRXMY-UHFFFAOYSA-N 1 1 362.477 3.183 50 0 FGAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000072163888 494140506 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CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000015080387 220147568 /nfs/dbraw/zinc/14/75/68/220147568.db2.gz WPRLWNVBQLISRR-IBGZPJMESA-N 1 1 361.873 3.451 50 0 FGAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000015080387 220147571 /nfs/dbraw/zinc/14/75/71/220147571.db2.gz WPRLWNVBQLISRR-IBGZPJMESA-N 1 1 361.873 3.451 50 0 FGAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000015080387 220147573 /nfs/dbraw/zinc/14/75/73/220147573.db2.gz WPRLWNVBQLISRR-IBGZPJMESA-N 1 1 361.873 3.451 50 0 FGAAMO Cc1cccc(CNc2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)n1 ZINC000015063650 220143867 /nfs/dbraw/zinc/14/38/67/220143867.db2.gz WAECKGULAQNDPV-IBGZPJMESA-N 1 1 367.497 3.001 50 0 FGAAMO FC(F)(F)c1cccc(C[C@H]2C[N@@H+](CCCn3cccn3)CCO2)c1 ZINC000015066636 220144775 /nfs/dbraw/zinc/14/47/75/220144775.db2.gz YEOZQHWTQYMPSU-KRWDZBQOSA-N 1 1 353.388 3.236 50 0 FGAAMO COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862278 220170286 /nfs/dbraw/zinc/17/02/86/220170286.db2.gz GTJNLTQRKIJQAT-UHFFFAOYSA-N 1 1 358.388 3.455 50 0 FGAAMO CCOc1ccccc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019361718 220252569 /nfs/dbraw/zinc/25/25/69/220252569.db2.gz KQDBGKYEHYXHKX-UHFFFAOYSA-N 1 1 354.450 3.132 50 0 FGAAMO CCOc1cc(CN2CC[NH+](Cc3ccc(OC)cc3)CC2)ccc1OC ZINC000019532063 220268032 /nfs/dbraw/zinc/26/80/32/220268032.db2.gz RFJLMZYUGVFXPE-UHFFFAOYSA-N 1 1 370.493 3.420 50 0 FGAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019739778 220291432 /nfs/dbraw/zinc/29/14/32/220291432.db2.gz FWWKIVOGLHUYIP-SFHVURJKSA-N 1 1 367.472 3.236 50 0 FGAAMO C[N@H+](CCc1ccccn1)[C@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019739778 220291436 /nfs/dbraw/zinc/29/14/36/220291436.db2.gz FWWKIVOGLHUYIP-SFHVURJKSA-N 1 1 367.472 3.236 50 0 FGAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019739778 220291441 /nfs/dbraw/zinc/29/14/41/220291441.db2.gz FWWKIVOGLHUYIP-SFHVURJKSA-N 1 1 367.472 3.236 50 0 FGAAMO O=C([C@@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019760057 220294531 /nfs/dbraw/zinc/29/45/31/220294531.db2.gz OOXCYJBCWHTHFJ-FQEVSTJZSA-N 1 1 350.462 3.099 50 0 FGAAMO O=C([C@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019760061 220294696 /nfs/dbraw/zinc/29/46/96/220294696.db2.gz OOXCYJBCWHTHFJ-HXUWFJFHSA-N 1 1 350.462 3.099 50 0 FGAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cnc4c(cnn4C(C)C)c3)sc2C1 ZINC000021296692 220355916 /nfs/dbraw/zinc/35/59/16/220355916.db2.gz KGAGMXFJYKFWQL-UHFFFAOYSA-N 1 1 370.482 3.099 50 0 FGAAMO CC[N@H+]1CCc2nc(NC(=O)c3cnc4c(cnn4C(C)C)c3)sc2C1 ZINC000021296692 220355918 /nfs/dbraw/zinc/35/59/18/220355918.db2.gz KGAGMXFJYKFWQL-UHFFFAOYSA-N 1 1 370.482 3.099 50 0 FGAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cnn(Cc4ccccc4)c3)sc2C1 ZINC000021295993 220356381 /nfs/dbraw/zinc/35/63/81/220356381.db2.gz RDYIHQZKTCMAFD-UHFFFAOYSA-N 1 1 367.478 3.018 50 0 FGAAMO CC[N@H+]1CCc2nc(NC(=O)c3cnn(Cc4ccccc4)c3)sc2C1 ZINC000021295993 220356384 /nfs/dbraw/zinc/35/63/84/220356384.db2.gz RDYIHQZKTCMAFD-UHFFFAOYSA-N 1 1 367.478 3.018 50 0 FGAAMO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022130501 220377073 /nfs/dbraw/zinc/37/70/73/220377073.db2.gz JMXMGKMFSPKNHQ-HXUWFJFHSA-N 1 1 374.912 3.206 50 0 FGAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000022085101 220377396 /nfs/dbraw/zinc/37/73/96/220377396.db2.gz QQVVNTAEBLLONN-GOSISDBHSA-N 1 1 373.424 3.017 50 0 FGAAMO C[NH+]1CCN(CCCCOc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000022309802 220382435 /nfs/dbraw/zinc/38/24/35/220382435.db2.gz JRCJEUHVDLYWKS-UHFFFAOYSA-N 1 1 352.478 3.324 50 0 FGAAMO Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000022459955 220386432 /nfs/dbraw/zinc/38/64/32/220386432.db2.gz LBEWGZLIHOBQGG-PXNSSMCTSA-N 1 1 371.550 3.472 50 0 FGAAMO CCC(CC)[C@@H](CNC(=O)c1ccc2ccccc2n1)[NH+]1CCOCC1 ZINC000022755215 220397681 /nfs/dbraw/zinc/39/76/81/220397681.db2.gz USVMKIQBJAZTRZ-HXUWFJFHSA-N 1 1 355.482 3.102 50 0 FGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000044301449 220955017 /nfs/dbraw/zinc/95/50/17/220955017.db2.gz USRTVCSNANOUBB-OAHLLOKOSA-N 1 1 374.840 3.199 50 0 FGAAMO CCc1oc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1CN(CC)CC ZINC000055132719 221060141 /nfs/dbraw/zinc/06/01/41/221060141.db2.gz ZFHBQJVZEWZBNJ-SFHVURJKSA-N 1 1 361.530 3.384 50 0 FGAAMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc4ccccc43)C2)n1 ZINC000054677786 221055276 /nfs/dbraw/zinc/05/52/76/221055276.db2.gz STDICYWGFMTUIH-MRXNPFEDSA-N 1 1 350.422 3.349 50 0 FGAAMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc4ccccc43)C2)n1 ZINC000054677786 221055278 /nfs/dbraw/zinc/05/52/78/221055278.db2.gz STDICYWGFMTUIH-MRXNPFEDSA-N 1 1 350.422 3.349 50 0 FGAAMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC=CCC1 ZINC000056994466 221082994 /nfs/dbraw/zinc/08/29/94/221082994.db2.gz OEROKRRGNGTTSI-OAQYLSRUSA-N 1 1 355.526 3.057 50 0 FGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058147906 221099892 /nfs/dbraw/zinc/09/98/92/221099892.db2.gz FEAFXDIIQHDICU-INIZCTEOSA-N 1 1 358.463 3.335 50 0 FGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058147906 221099893 /nfs/dbraw/zinc/09/98/93/221099893.db2.gz FEAFXDIIQHDICU-INIZCTEOSA-N 1 1 358.463 3.335 50 0 FGAAMO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c12 ZINC000058268456 221112524 /nfs/dbraw/zinc/11/25/24/221112524.db2.gz NWAQTVFDBRNWFX-AWEZNQCLSA-N 1 1 356.470 3.259 50 0 FGAAMO Cc1c(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)c2ccccc2n1CC(N)=O ZINC000063832433 221143150 /nfs/dbraw/zinc/14/31/50/221143150.db2.gz ZOLUDCBEWSZEMQ-MRXNPFEDSA-N 1 1 364.493 3.201 50 0 FGAAMO c1nn2cccnc2c1C[N@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065385305 221208482 /nfs/dbraw/zinc/20/84/82/221208482.db2.gz PBFFSMBCHOGBNO-GOSISDBHSA-N 1 1 356.433 3.176 50 0 FGAAMO O[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000065468341 221222953 /nfs/dbraw/zinc/22/29/53/221222953.db2.gz MVLBWFOTZLRACA-LEWJYISDSA-N 1 1 351.425 3.362 50 0 FGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCCCC2)nc1 ZINC000067446912 221254685 /nfs/dbraw/zinc/25/46/85/221254685.db2.gz HNODIWMDOUSBFJ-UHFFFAOYSA-N 1 1 355.486 3.212 50 0 FGAAMO C[C@]1(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)CCC[NH2+]C1 ZINC000067675307 221268991 /nfs/dbraw/zinc/26/89/91/221268991.db2.gz CFIUCIARFIXBHJ-NRFANRHFSA-N 1 1 370.472 3.312 50 0 FGAAMO Cc1ccsc1CN(C)C(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000067805499 221288585 /nfs/dbraw/zinc/28/85/85/221288585.db2.gz CDHCCWJFZRQQNX-UHFFFAOYSA-N 1 1 357.483 3.420 50 0 FGAAMO CCc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)[nH]1 ZINC000067743371 221280323 /nfs/dbraw/zinc/28/03/23/221280323.db2.gz GSMNGJLDQFOHMB-HNNXBMFYSA-N 1 1 371.481 3.393 50 0 FGAAMO CCc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)[nH]1 ZINC000067743371 221280326 /nfs/dbraw/zinc/28/03/26/221280326.db2.gz GSMNGJLDQFOHMB-HNNXBMFYSA-N 1 1 371.481 3.393 50 0 FGAAMO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1nc2ccc(Cl)cc2[nH]1 ZINC000067790509 221286970 /nfs/dbraw/zinc/28/69/70/221286970.db2.gz IWBXQZJHKRXLKS-LBPRGKRZSA-N 1 1 367.840 3.105 50 0 FGAAMO C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)c1 ZINC000067856428 221296154 /nfs/dbraw/zinc/29/61/54/221296154.db2.gz BKGVRMABHSIMJW-ZDUSSCGKSA-N 1 1 351.406 3.358 50 0 FGAAMO Cn1nc([C@H]2CCC[N@H+](C3CCCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067868630 221296973 /nfs/dbraw/zinc/29/69/73/221296973.db2.gz YPPQKWWYCRBSQZ-KRWDZBQOSA-N 1 1 354.498 3.473 50 0 FGAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)Cc3ccco3)C2=O)cc1 ZINC000067867437 221297155 /nfs/dbraw/zinc/29/71/55/221297155.db2.gz JPXBXMHDKFETBC-JOCHJYFZSA-N 1 1 370.493 3.389 50 0 FGAAMO CCc1[nH+]ccn1CC(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067935390 221306433 /nfs/dbraw/zinc/30/64/33/221306433.db2.gz KUKAIWHPWXJGEA-UHFFFAOYSA-N 1 1 363.465 3.242 50 0 FGAAMO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 ZINC000067955284 221308835 /nfs/dbraw/zinc/30/88/35/221308835.db2.gz SLOVJFKDDXAXRD-OAHLLOKOSA-N 1 1 362.433 3.215 50 0 FGAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 ZINC000067955284 221308837 /nfs/dbraw/zinc/30/88/37/221308837.db2.gz SLOVJFKDDXAXRD-OAHLLOKOSA-N 1 1 362.433 3.215 50 0 FGAAMO COc1ccc(-n2ccnc2-c2nccn2C[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000071589735 221352839 /nfs/dbraw/zinc/35/28/39/221352839.db2.gz SSMSGXNMEPZTLP-HXUWFJFHSA-N 1 1 351.454 3.086 50 0 FGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071745965 221358652 /nfs/dbraw/zinc/35/86/52/221358652.db2.gz DJZSALPNNVNJCJ-SFHVURJKSA-N 1 1 373.516 3.089 50 0 FGAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)[nH]n1 ZINC000071750546 221361996 /nfs/dbraw/zinc/36/19/96/221361996.db2.gz LMFGVLXZMXELGB-LJQANCHMSA-N 1 1 358.461 3.230 50 0 FGAAMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n[nH]1 ZINC000071750546 221362000 /nfs/dbraw/zinc/36/20/00/221362000.db2.gz LMFGVLXZMXELGB-LJQANCHMSA-N 1 1 358.461 3.230 50 0 FGAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n[nH]1 ZINC000071750546 221362002 /nfs/dbraw/zinc/36/20/02/221362002.db2.gz LMFGVLXZMXELGB-LJQANCHMSA-N 1 1 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FGAAMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(-c2ccc(F)cc2)o1 ZINC000089793817 494365334 /nfs/dbraw/zinc/36/53/34/494365334.db2.gz UCVFECKAIYVLNI-SJORKVTESA-N 1 1 358.413 3.069 50 0 FGAAMO Cc1cc(C)cc(OCc2noc(C[N@@H+](C)C3CCC(CO)CC3)n2)c1 ZINC000089923652 494403341 /nfs/dbraw/zinc/40/33/41/494403341.db2.gz TWYNJYHZLXJXOD-UHFFFAOYSA-N 1 1 359.470 3.248 50 0 FGAAMO Cc1cc(C)cc(OCc2noc(C[N@H+](C)C3CCC(CO)CC3)n2)c1 ZINC000089923652 494403343 /nfs/dbraw/zinc/40/33/43/494403343.db2.gz TWYNJYHZLXJXOD-UHFFFAOYSA-N 1 1 359.470 3.248 50 0 FGAAMO C[C@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022875244 494539844 /nfs/dbraw/zinc/53/98/44/494539844.db2.gz OLUIHRKTRXGAOK-MAUKXSAKSA-N 1 1 364.559 3.057 50 0 FGAAMO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1C1CCCCC1 ZINC000022932578 494543141 /nfs/dbraw/zinc/54/31/41/494543141.db2.gz OWSNIFMXDVKMMK-NRFANRHFSA-N 1 1 368.525 3.074 50 0 FGAAMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc(Br)c1O ZINC000023280725 494560046 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50 0 FGAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCn2cccc2)C3)cc1 ZINC000091746658 494665164 /nfs/dbraw/zinc/66/51/64/494665164.db2.gz KKWURYPFXKNIJJ-VQTJNVASSA-N 1 1 367.493 3.010 50 0 FGAAMO CCN1CC2(CC[NH+](Cc3nccn3C)CC2)C[C@H](c2ccccc2)C1=O ZINC000091907306 494718735 /nfs/dbraw/zinc/71/87/35/494718735.db2.gz NVRPUTJAWRVKPV-LJQANCHMSA-N 1 1 366.509 3.038 50 0 FGAAMO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)c1 ZINC000091943068 494729263 /nfs/dbraw/zinc/72/92/63/494729263.db2.gz MPUCRAYWIRSVAG-GOSISDBHSA-N 1 1 364.497 3.056 50 0 FGAAMO CCCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000126380428 494732038 /nfs/dbraw/zinc/73/20/38/494732038.db2.gz ZENWDARVMIVTLT-PKOBYXMFSA-N 1 1 372.513 3.029 50 0 FGAAMO COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)c1 ZINC000091973739 494737703 /nfs/dbraw/zinc/73/77/03/494737703.db2.gz BQPYGFFMEZOHIM-PKOBYXMFSA-N 1 1 355.457 3.326 50 0 FGAAMO COc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c1 ZINC000091973739 494737705 /nfs/dbraw/zinc/73/77/05/494737705.db2.gz BQPYGFFMEZOHIM-PKOBYXMFSA-N 1 1 355.457 3.326 50 0 FGAAMO COc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c1 ZINC000091973739 494737710 /nfs/dbraw/zinc/73/77/10/494737710.db2.gz BQPYGFFMEZOHIM-PKOBYXMFSA-N 1 1 355.457 3.326 50 0 FGAAMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c(OC)c1C ZINC000092019594 494759275 /nfs/dbraw/zinc/75/92/75/494759275.db2.gz JWTCIPUOBRRPHR-JOCHJYFZSA-N 1 1 372.509 3.237 50 0 FGAAMO O=C(Cc1nc2ccccc2[nH]1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000092046969 494768190 /nfs/dbraw/zinc/76/81/90/494768190.db2.gz FWSWIGGJYAVNJQ-RTBURBONSA-N 1 1 374.488 3.228 50 0 FGAAMO COc1ccc(-c2cc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)on2)cc1 ZINC000095354447 494961806 /nfs/dbraw/zinc/96/18/06/494961806.db2.gz DHDZVRIUOZBBRE-INIZCTEOSA-N 1 1 357.454 3.231 50 0 FGAAMO O=C(c1cncc(F)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095355440 494962604 /nfs/dbraw/zinc/96/26/04/494962604.db2.gz XHIVUJDVWGOGHV-GHTZIAJQSA-N 1 1 367.468 3.390 50 0 FGAAMO C[NH+](C)[C@H](C(=O)NCCCc1nc2ccccc2o1)c1ccc(F)cc1 ZINC000095361175 494963533 /nfs/dbraw/zinc/96/35/33/494963533.db2.gz CRJTVLCUBRPBEB-IBGZPJMESA-N 1 1 355.413 3.319 50 0 FGAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)n1 ZINC000095361983 494964736 /nfs/dbraw/zinc/96/47/36/494964736.db2.gz QWSOAVVXLADDLB-LBPRGKRZSA-N 1 1 369.391 3.044 50 0 FGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1nccc(-c2ccccc2)n1 ZINC000095363107 494964800 /nfs/dbraw/zinc/96/48/00/494964800.db2.gz PDRQZCNIIVHYBF-MRXNPFEDSA-N 1 1 363.465 3.383 50 0 FGAAMO CC1(C)CNC(=O)c2[nH]c([C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC000095368361 494966666 /nfs/dbraw/zinc/96/66/66/494966666.db2.gz BCDAFAMMWSSXPM-INIZCTEOSA-N 1 1 352.482 3.101 50 0 FGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1nccc(-c2ccccc2)n1 ZINC000095375856 494968825 /nfs/dbraw/zinc/96/88/25/494968825.db2.gz BIERVNVEOBPYCY-GOSISDBHSA-N 1 1 352.482 3.067 50 0 FGAAMO c1cc([C@@H]2C[N@H+](CC3CCCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095376263 494968887 /nfs/dbraw/zinc/96/88/87/494968887.db2.gz WYQARBDBEIMCIU-VLCRHTCISA-N 1 1 354.494 3.468 50 0 FGAAMO C[NH+](C)[C@@H](C(=O)NCc1coc(-c2ccccc2)n1)c1cccc(F)c1 ZINC000095377229 494969180 /nfs/dbraw/zinc/96/91/80/494969180.db2.gz SRWOTYXVUJMYSL-GOSISDBHSA-N 1 1 353.397 3.400 50 0 FGAAMO CCn1nc(C(C)C)cc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095383467 494971073 /nfs/dbraw/zinc/97/10/73/494971073.db2.gz FEXZRCZIHLNAAH-QZTJIDSGSA-N 1 1 358.530 3.363 50 0 FGAAMO Cn1nc(CNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)c2c1cccc2Cl ZINC000095388969 494973122 /nfs/dbraw/zinc/97/31/22/494973122.db2.gz XZSDXBODRRRKLL-GOSISDBHSA-N 1 1 374.847 3.285 50 0 FGAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(-c3cccnc3)no2)cc1 ZINC000095462677 494977064 /nfs/dbraw/zinc/97/70/64/494977064.db2.gz YQUZFFXNZZTKCY-CQSZACIVSA-N 1 1 360.421 3.477 50 0 FGAAMO Cc1nc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)sc1C ZINC000095497106 494980163 /nfs/dbraw/zinc/98/01/63/494980163.db2.gz WHLIYICUDZLIAF-MRXNPFEDSA-N 1 1 361.511 3.314 50 0 FGAAMO COCC[NH+]1CCN(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 ZINC000095506064 494982115 /nfs/dbraw/zinc/98/21/15/494982115.db2.gz UGPIDSINEWVVAS-UHFFFAOYSA-N 1 1 369.465 3.062 50 0 FGAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1 ZINC000095506261 494982774 /nfs/dbraw/zinc/98/27/74/494982774.db2.gz CFGBUUGWQBSBRB-WLMDGNKMSA-N 1 1 372.509 3.059 50 0 FGAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ncc(F)cc1F)CC2 ZINC000095504355 494982794 /nfs/dbraw/zinc/98/27/94/494982794.db2.gz VXPKDPWAZGHTQS-MRXNPFEDSA-N 1 1 371.431 3.454 50 0 FGAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](CCCO)C3)cc2)c1 ZINC000095522253 494986356 /nfs/dbraw/zinc/98/63/56/494986356.db2.gz WDRVAGARVKVWQS-IBGZPJMESA-N 1 1 368.477 3.395 50 0 FGAAMO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(C)c(F)c1)CC2 ZINC000095522764 494986398 /nfs/dbraw/zinc/98/63/98/494986398.db2.gz DVRFIGVESZGXMM-UHFFFAOYSA-N 1 1 370.472 3.143 50 0 FGAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc4[nH]ccc4c3)C2)N1Cc1cscn1 ZINC000095525105 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3.093 50 0 FGAAMO CC(C)Cc1noc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccncc4)no3)C2)n1 ZINC000252489488 497305157 /nfs/dbraw/zinc/30/51/57/497305157.db2.gz JRVJEWRRQGIXGP-OAHLLOKOSA-N 1 1 368.441 3.093 50 0 FGAAMO COc1ccc(C)cc1NC(=O)CC[N@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000252490423 497305208 /nfs/dbraw/zinc/30/52/08/497305208.db2.gz KTAUBHIBPCGEEO-KRWDZBQOSA-N 1 1 356.470 3.093 50 0 FGAAMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)C[C@H]1C ZINC000252512119 497309726 /nfs/dbraw/zinc/30/97/26/497309726.db2.gz MWOQEMVTZKYMPF-GJYPPUQNSA-N 1 1 361.486 3.191 50 0 FGAAMO Cc1nc2ccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2nc1C ZINC000252537064 497310734 /nfs/dbraw/zinc/31/07/34/497310734.db2.gz KFHAFRLKRMLNCZ-XLIONFOSSA-N 1 1 352.482 3.241 50 0 FGAAMO CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000240499958 497351852 /nfs/dbraw/zinc/35/18/52/497351852.db2.gz NPMXYGHBCMMIGZ-UHFFFAOYSA-N 1 1 352.438 3.152 50 0 FGAAMO Cc1ccccc1SCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000243892945 497361454 /nfs/dbraw/zinc/36/14/54/497361454.db2.gz AMKDTPUPXMVIRC-SFHVURJKSA-N 1 1 355.507 3.263 50 0 FGAAMO Cc1ccccc1SCC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000243892945 497361460 /nfs/dbraw/zinc/36/14/60/497361460.db2.gz AMKDTPUPXMVIRC-SFHVURJKSA-N 1 1 355.507 3.263 50 0 FGAAMO CC(C)c1noc([C@H]2CCCC[N@@H+]2CCC(=O)NCc2cccs2)n1 ZINC000244724005 497368223 /nfs/dbraw/zinc/36/82/23/497368223.db2.gz MLWIPLBZUNDQRU-OAHLLOKOSA-N 1 1 362.499 3.488 50 0 FGAAMO CC(C)c1noc([C@H]2CCCC[N@H+]2CCC(=O)NCc2cccs2)n1 ZINC000244724005 497368230 /nfs/dbraw/zinc/36/82/30/497368230.db2.gz MLWIPLBZUNDQRU-OAHLLOKOSA-N 1 1 362.499 3.488 50 0 FGAAMO CN1CC[N@@H+](CCC(=O)NCc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000244811791 497371492 /nfs/dbraw/zinc/37/14/92/497371492.db2.gz SLKGEKIECLCDTD-FQEVSTJZSA-N 1 1 371.912 3.335 50 0 FGAAMO C[N@@H+]1CCN(CCC(=O)NCc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000244811791 497371495 /nfs/dbraw/zinc/37/14/95/497371495.db2.gz SLKGEKIECLCDTD-FQEVSTJZSA-N 1 1 371.912 3.335 50 0 FGAAMO C[N@H+]1CCN(CCC(=O)NCc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000244811791 497371503 /nfs/dbraw/zinc/37/15/03/497371503.db2.gz SLKGEKIECLCDTD-FQEVSTJZSA-N 1 1 371.912 3.335 50 0 FGAAMO COc1ccc2c(c1)[C@@H](C)[N@H+](CCC(=O)Nc1nnc(C3CC3)s1)CC2 ZINC000244884187 497373201 /nfs/dbraw/zinc/37/32/01/497373201.db2.gz YHBQWOHRWYQRPW-GFCCVEGCSA-N 1 1 372.494 3.372 50 0 FGAAMO COC[C@@]1(O)CCOC2(CC[NH+](Cc3cccc(Cl)c3F)CC2)C1 ZINC000409420418 499596370 /nfs/dbraw/zinc/59/63/70/499596370.db2.gz RYBIDSBKVVRLFS-QGZVFWFLSA-N 1 1 357.853 3.002 50 0 FGAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3cc(C4CCCCC4)no3)C2)n1 ZINC000426531770 500286074 /nfs/dbraw/zinc/28/60/74/500286074.db2.gz PGQFAZJABYWJLO-KRWDZBQOSA-N 1 1 358.486 3.291 50 0 FGAAMO Cc1nc(C)c(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](O)C3)cc2)s1 ZINC000426685427 500306543 /nfs/dbraw/zinc/30/65/43/500306543.db2.gz RTGMEHMFSSFISU-GOSISDBHSA-N 1 1 373.522 3.004 50 0 FGAAMO CO[C@]12CC[N@@H+](CC3(C)CCOCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426739792 500313384 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COc1ccc(CCC[N@@H+](C)CCN2c3ccccc3O[C@H](C)C2=O)cc1 ZINC000089919838 523933104 /nfs/dbraw/zinc/93/31/04/523933104.db2.gz PTMDWQDOLMLYKG-QGZVFWFLSA-N 1 1 368.477 3.374 50 0 FGAAMO C[C@H](C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1)c1ccccc1 ZINC000082125542 524342617 /nfs/dbraw/zinc/34/26/17/524342617.db2.gz NBKACLWHSUAFBN-QGZVFWFLSA-N 1 1 366.509 3.309 50 0 FGAAMO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000019809659 524450105 /nfs/dbraw/zinc/45/01/05/524450105.db2.gz QRALGUTWFPHTDM-SFHVURJKSA-N 1 1 358.457 3.004 50 0 FGAAMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCCC[C@H]1CO)c1ccccc1 ZINC000239306212 525434541 /nfs/dbraw/zinc/43/45/41/525434541.db2.gz GOAPAVNWCRCITI-QZNHQXDQSA-N 1 1 369.505 3.309 50 0 FGAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)[nH]1 ZINC000216498869 527045886 /nfs/dbraw/zinc/04/58/86/527045886.db2.gz HMCMVUYLUNOQRS-GOSISDBHSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000216498869 527045892 /nfs/dbraw/zinc/04/58/92/527045892.db2.gz HMCMVUYLUNOQRS-GOSISDBHSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000216498869 527045900 /nfs/dbraw/zinc/04/59/00/527045900.db2.gz HMCMVUYLUNOQRS-GOSISDBHSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000216498869 527045906 /nfs/dbraw/zinc/04/59/06/527045906.db2.gz HMCMVUYLUNOQRS-GOSISDBHSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000216498869 527045911 /nfs/dbraw/zinc/04/59/11/527045911.db2.gz HMCMVUYLUNOQRS-GOSISDBHSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1nc2ccccc2n1CCC(=O)N(C)C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000082108818 527165435 /nfs/dbraw/zinc/16/54/35/527165435.db2.gz FNURSBGVRJFBJY-GOSISDBHSA-N 1 1 356.514 3.314 50 0 FGAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cccs1)c1ccccc1 ZINC000020405051 527668763 /nfs/dbraw/zinc/66/87/63/527668763.db2.gz QUGWFHQMFUZLTD-KNTRCKAVSA-N 1 1 356.491 3.127 50 0 FGAAMO CCN(CC)CC[N@@H+](C)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)CC1 ZINC000299801072 528120020 /nfs/dbraw/zinc/12/00/20/528120020.db2.gz VKXZWFXUNKGITJ-LJQANCHMSA-N 1 1 365.949 3.495 50 0 FGAAMO CC[NH+](CC)CCN(C)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)CC1 ZINC000299801072 528120026 /nfs/dbraw/zinc/12/00/26/528120026.db2.gz VKXZWFXUNKGITJ-LJQANCHMSA-N 1 1 365.949 3.495 50 0 FGAAMO CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000216035305 568101969 /nfs/dbraw/zinc/10/19/69/568101969.db2.gz GASZFAOMVOKSPQ-LJQANCHMSA-N 1 1 360.461 3.397 50 0 FGAAMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000216035305 568101970 /nfs/dbraw/zinc/10/19/70/568101970.db2.gz GASZFAOMVOKSPQ-LJQANCHMSA-N 1 1 360.461 3.397 50 0 FGAAMO Cc1ccc(NC(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000104675328 570860883 /nfs/dbraw/zinc/86/08/83/570860883.db2.gz ZAGWRJKAIDYCGV-FQEVSTJZSA-N 1 1 352.482 3.105 50 0 FGAAMO COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047385613 570887540 /nfs/dbraw/zinc/88/75/40/570887540.db2.gz MEEQUIPTBGWRGN-UHFFFAOYSA-N 1 1 374.404 3.022 50 0 FGAAMO O=C(Nc1ccccc1-n1cccn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048149999 570935578 /nfs/dbraw/zinc/93/55/78/570935578.db2.gz MWQBIGTUDOXTKC-GOSISDBHSA-N 1 1 361.449 3.268 50 0 FGAAMO CCCN(C(=O)CCc1nc(C2=CC[N@@H+](C)CC2)no1)c1ccc(F)cc1 ZINC000033069138 571146577 /nfs/dbraw/zinc/14/65/77/571146577.db2.gz ROPSPMYKKSCDBW-UHFFFAOYSA-N 1 1 372.444 3.303 50 0 FGAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000299789923 529759785 /nfs/dbraw/zinc/75/97/85/529759785.db2.gz AHFKTYYHSNXUSI-AWEZNQCLSA-N 1 1 353.426 3.071 50 0 FGAAMO CNC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000299798322 529906755 /nfs/dbraw/zinc/90/67/55/529906755.db2.gz RMDSGKFHIBVBJO-GFCCVEGCSA-N 1 1 369.412 3.397 50 0 FGAAMO C[N@H+]1CCCC[C@@H]1COC(=O)C1(O)c2ccccc2CCc2ccccc21 ZINC000000664941 219310744 /nfs/dbraw/zinc/31/07/44/219310744.db2.gz JSCIWGLKNYMKTO-LJQANCHMSA-N 1 1 365.473 3.049 50 0 FGAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCc2ccccc2)cc1OC ZINC000000869988 219334537 /nfs/dbraw/zinc/33/45/37/219334537.db2.gz OMAKCNHFSJPTTR-LJQANCHMSA-N 1 1 368.477 3.027 50 0 FGAAMO Cn1c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)nc2ccccc21 ZINC000247721527 222948691 /nfs/dbraw/zinc/94/86/91/222948691.db2.gz AVAQFMIPSHMIRF-UHFFFAOYSA-N 1 1 354.498 3.234 50 0 FGAAMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000253420176 222988725 /nfs/dbraw/zinc/98/87/25/222988725.db2.gz UXZOZIOOEDJITH-QGZVFWFLSA-N 1 1 369.509 3.196 50 0 FGAAMO O=C(NCCCc1nc2ccccc2o1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000299777681 223091679 /nfs/dbraw/zinc/09/16/79/223091679.db2.gz CMCUAURLKRTJIY-FQEVSTJZSA-N 1 1 364.449 3.109 50 0 FGAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CNC(=O)c2cccnc2)C1 ZINC000012590730 220010754 /nfs/dbraw/zinc/01/07/54/220010754.db2.gz YOCKLBXDIDDQOP-WGLAMXGCSA-N 1 1 365.477 3.245 50 0 FGAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012931187 220043729 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CN1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000097773109 222210661 /nfs/dbraw/zinc/21/06/61/222210661.db2.gz GXTTWWGMTLKJGW-JOCHJYFZSA-N 1 1 365.521 3.087 50 0 FGAAMO CCn1ccc2c1cccc2C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000097819572 222214985 /nfs/dbraw/zinc/21/49/85/222214985.db2.gz VGLRHUZSPRBYCR-SFHVURJKSA-N 1 1 369.509 3.422 50 0 FGAAMO CCn1ccc2c1cccc2C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000097819572 222214990 /nfs/dbraw/zinc/21/49/90/222214990.db2.gz VGLRHUZSPRBYCR-SFHVURJKSA-N 1 1 369.509 3.422 50 0 FGAAMO CN(C)CC[N@@H+](C)C1CCN(Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000097805532 222215185 /nfs/dbraw/zinc/21/51/85/222215185.db2.gz NPEJEOONHZHEDA-UHFFFAOYSA-N 1 1 361.427 3.302 50 0 FGAAMO CC[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000027992069 493771313 /nfs/dbraw/zinc/77/13/13/493771313.db2.gz CXBAZYPDYTXEEC-MOPGFXCFSA-N 1 1 374.456 3.411 50 0 FGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c2ccc(OC)cc2[nH]c1C(=O)OC ZINC000002261319 493804715 /nfs/dbraw/zinc/80/47/15/493804715.db2.gz HFQOIXIMHWRJJQ-ZDUSSCGKSA-N 1 1 373.453 3.166 50 0 FGAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000002406449 493807723 /nfs/dbraw/zinc/80/77/23/493807723.db2.gz BRGQWBFBKQEXII-CYBMUJFWSA-N 1 1 373.453 3.024 50 0 FGAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(C(N)=O)CC1 ZINC000028972805 493809817 /nfs/dbraw/zinc/80/98/17/493809817.db2.gz WXZGSIOPNPUBQT-SNVBAGLBSA-N 1 1 368.359 3.014 50 0 FGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000029838685 493860461 /nfs/dbraw/zinc/86/04/61/493860461.db2.gz APECFGFJWVTSOS-UHFFFAOYSA-N 1 1 363.255 3.220 50 0 FGAAMO COc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(OC)c1OC ZINC000004029493 493861964 /nfs/dbraw/zinc/86/19/64/493861964.db2.gz QOTCLHZBDMFRSJ-GOEBONIOSA-N 1 1 363.454 3.134 50 0 FGAAMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000029927158 493867670 /nfs/dbraw/zinc/86/76/70/493867670.db2.gz QNSYNRKCYPARQW-CQSZACIVSA-N 1 1 365.905 3.295 50 0 FGAAMO Cc1cc(C)n(-c2ccc(C(=O)NCC[N@H+]3CCc4ccccc4C3)cc2)n1 ZINC000030362753 493888020 /nfs/dbraw/zinc/88/80/20/493888020.db2.gz USXJKHRTQUQDSL-UHFFFAOYSA-N 1 1 374.488 3.277 50 0 FGAAMO COc1ccc(CC[N@H+](C)Cc2nc(-c3cccs3)no2)cc1OC ZINC000030547108 493897191 /nfs/dbraw/zinc/89/71/91/493897191.db2.gz QAGVZHWPGZXNQA-UHFFFAOYSA-N 1 1 359.451 3.490 50 0 FGAAMO COc1ccc(CC[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1OC ZINC000030547108 493897196 /nfs/dbraw/zinc/89/71/96/493897196.db2.gz QAGVZHWPGZXNQA-UHFFFAOYSA-N 1 1 359.451 3.490 50 0 FGAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004894121 493898443 /nfs/dbraw/zinc/89/84/43/493898443.db2.gz RUCXAKOCHGABBZ-LBPRGKRZSA-N 1 1 365.462 3.427 50 0 FGAAMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CCOc1ccccc1 ZINC000005938808 493947016 /nfs/dbraw/zinc/94/70/16/493947016.db2.gz OHEIFAZFFLKRKL-RMJOCGACSA-N 1 1 356.510 3.471 50 0 FGAAMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CCOc1ccccc1 ZINC000005938808 493947020 /nfs/dbraw/zinc/94/70/20/493947020.db2.gz OHEIFAZFFLKRKL-RMJOCGACSA-N 1 1 356.510 3.471 50 0 FGAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4c(c2)OCO4)N3)C1 ZINC000005977073 493948018 /nfs/dbraw/zinc/94/80/18/493948018.db2.gz UGFIHBNESNXZFS-QGZVFWFLSA-N 1 1 371.462 3.097 50 0 FGAAMO Cc1ncnc(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)c1C ZINC000082109702 493979598 /nfs/dbraw/zinc/97/95/98/493979598.db2.gz HWGUAVFUMOJVOF-UHFFFAOYSA-N 1 1 354.502 3.440 50 0 FGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cn2c(cccc2C)n1 ZINC000082109117 493979798 /nfs/dbraw/zinc/97/97/98/493979798.db2.gz WGOUUVAFDLDGIT-QGZVFWFLSA-N 1 1 351.454 3.233 50 0 FGAAMO CC[C@H](CNC(=O)Cc1ccc(OC)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000032446670 493990525 /nfs/dbraw/zinc/99/05/25/493990525.db2.gz WQYNAKWYWINCIU-LJQANCHMSA-N 1 1 370.468 3.330 50 0 FGAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)Cc1sccc1C ZINC000032721086 494007064 /nfs/dbraw/zinc/00/70/64/494007064.db2.gz YEVBZPSWGHGWEY-INIZCTEOSA-N 1 1 363.479 3.139 50 0 FGAAMO Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032913854 494027443 /nfs/dbraw/zinc/02/74/43/494027443.db2.gz VFTSLDCSHLQUOX-QGZVFWFLSA-N 1 1 361.445 3.050 50 0 FGAAMO Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032913854 494027448 /nfs/dbraw/zinc/02/74/48/494027448.db2.gz VFTSLDCSHLQUOX-QGZVFWFLSA-N 1 1 361.445 3.050 50 0 FGAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCOCC1 ZINC000032932823 494030120 /nfs/dbraw/zinc/03/01/20/494030120.db2.gz YAEWFBNMKPDOGR-GOSISDBHSA-N 1 1 362.520 3.006 50 0 FGAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000007786257 494042377 /nfs/dbraw/zinc/04/23/77/494042377.db2.gz LTUYPFCTGSYDBO-UHFFFAOYSA-N 1 1 367.449 3.372 50 0 FGAAMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1C ZINC000084147779 494052179 /nfs/dbraw/zinc/05/21/79/494052179.db2.gz PKZURFJEPBCFTR-NHCUHLMSSA-N 1 1 360.542 3.302 50 0 FGAAMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1C ZINC000084147779 494052181 /nfs/dbraw/zinc/05/21/81/494052181.db2.gz PKZURFJEPBCFTR-NHCUHLMSSA-N 1 1 360.542 3.302 50 0 FGAAMO Cn1ncc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1C1CC1 ZINC000077320551 494056757 /nfs/dbraw/zinc/05/67/57/494056757.db2.gz ZXYQEPSPMIINGX-UHFFFAOYSA-N 1 1 353.495 3.229 50 0 FGAAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)C1 ZINC000033312334 494057852 /nfs/dbraw/zinc/05/78/52/494057852.db2.gz ZFWVLZJZBSIQBU-AWEZNQCLSA-N 1 1 372.481 3.097 50 0 FGAAMO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)cc1OC ZINC000077377133 494069998 /nfs/dbraw/zinc/06/99/98/494069998.db2.gz HWQXFXLNFOFRCW-VQTJNVASSA-N 1 1 368.477 3.116 50 0 FGAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3cccc(SC)c3)C2)CCC1=O ZINC000077387869 494073449 /nfs/dbraw/zinc/07/34/49/494073449.db2.gz CAGKEOPLTRPZJW-HXUWFJFHSA-N 1 1 362.539 3.260 50 0 FGAAMO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N=C1c1cccc(F)c1 ZINC000035430877 494076137 /nfs/dbraw/zinc/07/61/37/494076137.db2.gz AFCSLALYFLBTTC-UHFFFAOYSA-N 1 1 371.843 3.390 50 0 FGAAMO 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/nfs/dbraw/zinc/08/77/63/494087763.db2.gz SVIRORVTFULEKJ-OAHLLOKOSA-N 1 1 367.478 3.034 50 0 FGAAMO Cc1nc(-n2cccc2)sc1C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036569369 494092565 /nfs/dbraw/zinc/09/25/65/494092565.db2.gz VJENJURUBXAXBH-HZPDHXFCSA-N 1 1 358.511 3.237 50 0 FGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccccc1-n1cccn1 ZINC000077485384 494093370 /nfs/dbraw/zinc/09/33/70/494093370.db2.gz ZOAQOCNYTLZUJX-GOSISDBHSA-N 1 1 363.465 3.462 50 0 FGAAMO CCOc1ccccc1C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699918 494095734 /nfs/dbraw/zinc/09/57/34/494095734.db2.gz LSDILRSYNUDPKT-NRFANRHFSA-N 1 1 368.477 3.279 50 0 FGAAMO CCOc1ccccc1C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699918 494095737 /nfs/dbraw/zinc/09/57/37/494095737.db2.gz LSDILRSYNUDPKT-NRFANRHFSA-N 1 1 368.477 3.279 50 0 FGAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CN(C)C)cs2)C[C@H]1c1ccc(C)cc1 ZINC000077565324 494116176 /nfs/dbraw/zinc/11/61/76/494116176.db2.gz HZOVDXFDXHMFMI-LEWJYISDSA-N 1 1 371.550 3.222 50 0 FGAAMO CC(=O)N[C@@H]1C[N@H+](Cc2cc(CN(C)C)cs2)C[C@H]1c1ccc(C)cc1 ZINC000077565324 494116179 /nfs/dbraw/zinc/11/61/79/494116179.db2.gz HZOVDXFDXHMFMI-LEWJYISDSA-N 1 1 371.550 3.222 50 0 FGAAMO CCc1cc(N2CCC[N@@H+](Cc3ccccc3F)CC2)n2nccc2n1 ZINC000072127479 494129934 /nfs/dbraw/zinc/12/99/34/494129934.db2.gz YZVBRJNPOZFJNA-UHFFFAOYSA-N 1 1 353.445 3.143 50 0 FGAAMO CC(C)Nc1ncc(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cn1 ZINC000072140380 494132510 /nfs/dbraw/zinc/13/25/10/494132510.db2.gz DKNAVOSBEGTAGF-SFHVURJKSA-N 1 1 359.518 3.071 50 0 FGAAMO CCN1CC[NH+](Cc2ccc(NC(=O)CCOc3ccccc3)cc2)CC1 ZINC000040107960 494132595 /nfs/dbraw/zinc/13/25/95/494132595.db2.gz FIEHKJDZRBNVFN-UHFFFAOYSA-N 1 1 367.493 3.232 50 0 FGAAMO O=C(COCC1CC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000040108145 494132646 /nfs/dbraw/zinc/13/26/46/494132646.db2.gz WMHLUBLYMBTIRI-IBGZPJMESA-N 1 1 370.518 3.390 50 0 FGAAMO O=C(COCC1CC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000040108145 494132649 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C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCc3ccccc3F)c2)CCO1 ZINC000058160990 221100563 /nfs/dbraw/zinc/10/05/63/221100563.db2.gz QPCRMPRLRWPAKK-MRXNPFEDSA-N 1 1 371.456 3.046 50 0 FGAAMO COc1ccc([C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000058316610 221114189 /nfs/dbraw/zinc/11/41/89/221114189.db2.gz JOHSXMBZHCWSHD-KRWDZBQOSA-N 1 1 370.346 3.192 50 0 FGAAMO c1n[nH]nc1SCC[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000063868536 221143866 /nfs/dbraw/zinc/14/38/66/221143866.db2.gz XHXBZUXSFVEAHK-UHFFFAOYSA-N 1 1 362.462 3.297 50 0 FGAAMO COc1ccc(CNC(=O)C2=CC[N@@H+](Cc3cccc(F)c3)CC2)cc1 ZINC000064818084 221152873 /nfs/dbraw/zinc/15/28/73/221152873.db2.gz JJQMDYDOZLXYLE-UHFFFAOYSA-N 1 1 354.425 3.283 50 0 FGAAMO CC(C)Cc1noc([C@H]2CCC[N@H+](Cc3nc(-c4ccco4)no3)C2)n1 ZINC000065369999 221202965 /nfs/dbraw/zinc/20/29/65/221202965.db2.gz VWJQMYMSFHSKDK-ZDUSSCGKSA-N 1 1 357.414 3.291 50 0 FGAAMO CC(C)Cc1noc([C@H]2CCC[N@@H+](Cc3nc(-c4ccco4)no3)C2)n1 ZINC000065369999 221202969 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FGAAMO C[C@@H](C(=O)N1CCCC1)[N@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067855527 221295876 /nfs/dbraw/zinc/29/58/76/221295876.db2.gz MVYPUTWKJVNQEQ-ZDUSSCGKSA-N 1 1 358.873 3.099 50 0 FGAAMO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000071440139 221348910 /nfs/dbraw/zinc/34/89/10/221348910.db2.gz NATMBGZQGDWRCD-FQEVSTJZSA-N 1 1 357.542 3.230 50 0 FGAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000071440139 221348913 /nfs/dbraw/zinc/34/89/13/221348913.db2.gz NATMBGZQGDWRCD-FQEVSTJZSA-N 1 1 357.542 3.230 50 0 FGAAMO CCn1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071589588 221351744 /nfs/dbraw/zinc/35/17/44/221351744.db2.gz RBNNZOBJAKFOBI-FQEVSTJZSA-N 1 1 372.488 3.415 50 0 FGAAMO CCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C(C)C ZINC000071730314 221357328 /nfs/dbraw/zinc/35/73/28/221357328.db2.gz MDWYIJUPOQVFJS-HXUWFJFHSA-N 1 1 372.557 3.015 50 0 FGAAMO CC(C)(C[NH+]1CCOCC1)c1nccn1Cc1cnc2ccccc2c1 ZINC000071763953 221371168 /nfs/dbraw/zinc/37/11/68/221371168.db2.gz YMUWEXCJELBAPG-UHFFFAOYSA-N 1 1 350.466 3.089 50 0 FGAAMO CCc1ccccc1CN1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071775488 221374614 /nfs/dbraw/zinc/37/46/14/221374614.db2.gz QAQGJDLERKOJBX-FQEVSTJZSA-N 1 1 369.553 3.204 50 0 FGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)cc(=O)[nH]1 ZINC000072158613 221435827 /nfs/dbraw/zinc/43/58/27/221435827.db2.gz WFYOWYNRNFFXQH-AWEZNQCLSA-N 1 1 351.372 3.477 50 0 FGAAMO COC[C@]1(O)CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)CC1(C)C ZINC000091459963 132201726 /nfs/dbraw/zinc/20/17/26/132201726.db2.gz CTSMPTIFNIQQRP-HXUWFJFHSA-N 1 1 366.933 3.418 50 0 FGAAMO COCCn1cc[nH+]c1[C@H]1CCCN(c2ncnc3c(C)csc32)C1 ZINC000091663391 132202945 /nfs/dbraw/zinc/20/29/45/132202945.db2.gz FCRZBDJIMGLIDI-AWEZNQCLSA-N 1 1 357.483 3.227 50 0 FGAAMO O=c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(O)ccc2o1 ZINC000054106029 132376054 /nfs/dbraw/zinc/37/60/54/132376054.db2.gz IQTBSBWVUACUIB-UHFFFAOYSA-N 1 1 370.836 3.474 50 0 FGAAMO COc1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004109099 132386415 /nfs/dbraw/zinc/38/64/15/132386415.db2.gz GZQINONVIBFLDJ-UHFFFAOYSA-N 1 1 365.521 3.482 50 0 FGAAMO Cc1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)ccc1Cl ZINC000082171942 221708048 /nfs/dbraw/zinc/70/80/48/221708048.db2.gz TWZLPBYCKKWVMI-QGZVFWFLSA-N 1 1 350.890 3.365 50 0 FGAAMO O=C(NCC1(C[NH+]2CCOCC2)CC1)Nc1cccc(-c2cscn2)c1 ZINC000096137622 222041094 /nfs/dbraw/zinc/04/10/94/222041094.db2.gz ZWZSIZUSKFOCAQ-UHFFFAOYSA-N 1 1 372.494 3.044 50 0 FGAAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1cccc(O)c1)CC2 ZINC000096140617 222044635 /nfs/dbraw/zinc/04/46/35/222044635.db2.gz USANKLKCAUFAJV-FQEVSTJZSA-N 1 1 364.489 3.415 50 0 FGAAMO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c(F)c1 ZINC000096163641 222062820 /nfs/dbraw/zinc/06/28/20/222062820.db2.gz YBKMGVMYXJIJEL-UHFFFAOYSA-N 1 1 372.444 3.359 50 0 FGAAMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c(F)c1 ZINC000096163641 222062824 /nfs/dbraw/zinc/06/28/24/222062824.db2.gz 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355.482 3.349 50 0 FGAAMO Cc1noc(C)c1C[N@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000075876505 493789545 /nfs/dbraw/zinc/78/95/45/493789545.db2.gz PFENGOWURZJEDA-UHFFFAOYSA-N 1 1 355.482 3.349 50 0 FGAAMO CCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCCC2 ZINC000001515944 493796918 /nfs/dbraw/zinc/79/69/18/493796918.db2.gz LYVNQUTUSFOCIK-UHFFFAOYSA-N 1 1 362.451 3.125 50 0 FGAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000002367381 493806939 /nfs/dbraw/zinc/80/69/39/493806939.db2.gz GNDUPOSMKPXKAJ-UHFFFAOYSA-N 1 1 373.453 3.166 50 0 FGAAMO O=C(CCCc1nc2ccccc2[nH]1)NCC[N@H+]1CCc2ccccc2C1 ZINC000029124260 493818572 /nfs/dbraw/zinc/81/85/72/493818572.db2.gz OYWXNWHLUKLVLQ-UHFFFAOYSA-N 1 1 362.477 3.060 50 0 FGAAMO CC(C)[C@H](CNC(=O)c1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000029173934 493823311 /nfs/dbraw/zinc/82/33/11/493823311.db2.gz VZWPVJPMXISNJM-IBGZPJMESA-N 1 1 366.461 3.228 50 0 FGAAMO CCOC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029483266 493840340 /nfs/dbraw/zinc/84/03/40/493840340.db2.gz CMHLQRXQSLVVNC-IBGZPJMESA-N 1 1 352.434 3.421 50 0 FGAAMO COc1ccc(COC[C@H](O)C[N@@H+](Cc2ccccc2)C(C)C)cc1OC ZINC000005950765 493946156 /nfs/dbraw/zinc/94/61/56/493946156.db2.gz NYKRFSBGDLNHNH-HXUWFJFHSA-N 1 1 373.493 3.492 50 0 FGAAMO CCN1C[C@@]2(CCC[N@H+](Cc3c(F)c(F)ccc3OC)C2)CCC1=O ZINC000082107281 493978217 /nfs/dbraw/zinc/97/82/17/493978217.db2.gz KGGFSVXFYDIGFU-IBGZPJMESA-N 1 1 352.425 3.198 50 0 FGAAMO CCN1C[C@@]2(CCC[N@@H+](Cc3c(F)c(F)ccc3OC)C2)CCC1=O ZINC000082107281 493978221 /nfs/dbraw/zinc/97/82/21/493978221.db2.gz KGGFSVXFYDIGFU-IBGZPJMESA-N 1 1 352.425 3.198 50 0 FGAAMO CC(C)c1nnsc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082161132 493981535 /nfs/dbraw/zinc/98/15/35/493981535.db2.gz BKFCPZFEEJGPTI-UHFFFAOYSA-N 1 1 357.483 3.060 50 0 FGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000032399272 493984659 /nfs/dbraw/zinc/98/46/59/493984659.db2.gz FSYFYCIZTWIGPI-UHFFFAOYSA-N 1 1 360.404 3.466 50 0 FGAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccc(Cl)cc1Cl ZINC000032819575 494019237 /nfs/dbraw/zinc/01/92/37/494019237.db2.gz QELAWSCUPKAXDU-JTQLQIEISA-N 1 1 366.248 3.382 50 0 FGAAMO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl ZINC000032841408 494021201 /nfs/dbraw/zinc/02/12/01/494021201.db2.gz WMQFFUWTRJVUMG-GOSISDBHSA-N 1 1 371.868 3.257 50 0 FGAAMO COCc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)o1 ZINC000077322987 494057988 /nfs/dbraw/zinc/05/79/88/494057988.db2.gz YFYHTVIZVRCLFQ-UHFFFAOYSA-N 1 1 356.466 3.207 50 0 FGAAMO Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000077322053 494058095 /nfs/dbraw/zinc/05/80/95/494058095.db2.gz XQORHPSYWZULGU-QGZVFWFLSA-N 1 1 352.482 3.305 50 0 FGAAMO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077355412 494065258 /nfs/dbraw/zinc/06/52/58/494065258.db2.gz TWONEGZASBOYLI-HSZRJFAPSA-N 1 1 366.505 3.345 50 0 FGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000077355305 494065376 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Cn1nc(CNC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)c2c1cccc2Cl ZINC000095388970 494972813 /nfs/dbraw/zinc/97/28/13/494972813.db2.gz XZSDXBODRRRKLL-SFHVURJKSA-N 1 1 374.847 3.285 50 0 FGAAMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000095408336 494973775 /nfs/dbraw/zinc/97/37/75/494973775.db2.gz QCOZXWXIPYMKQA-HNNXBMFYSA-N 1 1 357.483 3.400 50 0 FGAAMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000095467121 494977592 /nfs/dbraw/zinc/97/75/92/494977592.db2.gz KDYBFJDOPWIFRQ-UONOGXRCSA-N 1 1 350.894 3.497 50 0 FGAAMO O=C(CCC[N@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)c1ccc(F)cc1 ZINC000095497731 494980337 /nfs/dbraw/zinc/98/03/37/494980337.db2.gz YQVBSNGAMISBKZ-DENIHFKCSA-N 1 1 369.436 3.259 50 0 FGAAMO Cc1nnc(SCC[NH2+]C2CCN(c3nc4ccccc4s3)CC2)[nH]1 ZINC000095498261 494980558 /nfs/dbraw/zinc/98/05/58/494980558.db2.gz ONFRVXURNILQPX-UHFFFAOYSA-N 1 1 374.539 3.074 50 0 FGAAMO Cc1n[nH]c(SCC[NH2+]C2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000095498261 494980559 /nfs/dbraw/zinc/98/05/59/494980559.db2.gz ONFRVXURNILQPX-UHFFFAOYSA-N 1 1 374.539 3.074 50 0 FGAAMO Cn1c2nnc(C[N@@H+](C)C3CCC(C)(C)CC3)n2c2ccsc2c1=O ZINC000127683736 494981057 /nfs/dbraw/zinc/98/10/57/494981057.db2.gz XZUMKCKDTZGOSS-UHFFFAOYSA-N 1 1 359.499 3.043 50 0 FGAAMO CCc1cc(N2CCC([N@@H+](C)CC[C@@H](O)c3ccccc3)CC2)nc(C)n1 ZINC000095503185 494981297 /nfs/dbraw/zinc/98/12/97/494981297.db2.gz JJUMVOWFDVXMGI-OAQYLSRUSA-N 1 1 368.525 3.372 50 0 FGAAMO Cn1ccc2ccc(C(=O)N3CCC[N@H+](C4Cc5ccccc5C4)CC3)cc21 ZINC000095509723 494983078 /nfs/dbraw/zinc/98/30/78/494983078.db2.gz XISWQQVZJIXFDM-UHFFFAOYSA-N 1 1 373.500 3.494 50 0 FGAAMO COCCOc1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000095508732 494983176 /nfs/dbraw/zinc/98/31/76/494983176.db2.gz YWPBKWZGTZAVIQ-UHFFFAOYSA-N 1 1 361.486 3.194 50 0 FGAAMO O=C(c1ccoc1)N1CCC[N@@H+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095518855 494985745 /nfs/dbraw/zinc/98/57/45/494985745.db2.gz XYIONQSAIFHFPZ-QGZVFWFLSA-N 1 1 354.450 3.069 50 0 FGAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC(Oc2ccccc2Cl)C1 ZINC000095518438 494985845 /nfs/dbraw/zinc/98/58/45/494985845.db2.gz CLAHVVSDYPYOLI-HNNXBMFYSA-N 1 1 374.868 3.435 50 0 FGAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ncoc2C)C1 ZINC000095521772 494986095 /nfs/dbraw/zinc/98/60/95/494986095.db2.gz QRSGEGUTQAPEHC-QGZVFWFLSA-N 1 1 371.481 3.018 50 0 FGAAMO O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095521838 494986567 /nfs/dbraw/zinc/98/65/67/494986567.db2.gz HLYBCJALHSVDBD-SFHVURJKSA-N 1 1 354.450 3.133 50 0 FGAAMO O=C(Nc1ccccc1-n1cccn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000095526615 494987264 /nfs/dbraw/zinc/98/72/64/494987264.db2.gz CCXBTGOJFOVSSG-UHFFFAOYSA-N 1 1 353.470 3.355 50 0 FGAAMO Cc1ccc2c(c1)c(CNC(=O)[C@H]1CCC[N@@H+](Cc3ccco3)C1)nn2C ZINC000095524087 494987692 /nfs/dbraw/zinc/98/76/92/494987692.db2.gz CQWSOOFRCRQKCQ-INIZCTEOSA-N 1 1 366.465 3.003 50 0 FGAAMO Cc1n[nH]cc1C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000120976074 495496009 /nfs/dbraw/zinc/49/60/09/495496009.db2.gz MSMCSUMIOLILKS-INIZCTEOSA-N 1 1 366.387 3.190 50 0 FGAAMO COCCn1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2ccccc21 ZINC000170613455 495534705 /nfs/dbraw/zinc/53/47/05/495534705.db2.gz IQESZOJWPAMFSI-MOPGFXCFSA-N 1 1 369.509 3.282 50 0 FGAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](C)c2nc(C)cs2)C1 ZINC000186817154 496165314 /nfs/dbraw/zinc/16/53/14/496165314.db2.gz QCYSTRGKBRBLFA-HIFRSBDPSA-N 1 1 361.515 3.361 50 0 FGAAMO O=C([O-])CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1Cc1cccnc1)[C@@H]23 ZINC000169676283 496716557 /nfs/dbraw/zinc/71/65/57/496716557.db2.gz JSUVJGBGZAXFLS-PXCRPINLSA-N 1 1 357.498 3.011 50 0 FGAAMO COCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1 ZINC000182298060 496727612 /nfs/dbraw/zinc/72/76/12/496727612.db2.gz CNIOMSZYLNWBON-KBPBESRZSA-N 1 1 355.442 3.341 50 0 FGAAMO COCc1noc([C@H](C)[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1 ZINC000182298060 496727614 /nfs/dbraw/zinc/72/76/14/496727614.db2.gz CNIOMSZYLNWBON-KBPBESRZSA-N 1 1 355.442 3.341 50 0 FGAAMO COCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000182298060 496727616 /nfs/dbraw/zinc/72/76/16/496727616.db2.gz CNIOMSZYLNWBON-KBPBESRZSA-N 1 1 355.442 3.341 50 0 FGAAMO COCc1noc([C@H](C)[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000182298060 496727618 /nfs/dbraw/zinc/72/76/18/496727618.db2.gz CNIOMSZYLNWBON-KBPBESRZSA-N 1 1 355.442 3.341 50 0 FGAAMO CCCN(C(=O)C1CC[NH+](Cc2nc3ccccc3n2C)CC1)C(C)C ZINC000247963249 496933801 /nfs/dbraw/zinc/93/38/01/496933801.db2.gz GBZIJFHONSZMKQ-UHFFFAOYSA-N 1 1 356.514 3.432 50 0 FGAAMO Cc1ccc(-c2ccccc2C[NH+]2CCN(Cc3noc(C)n3)CC2)o1 ZINC000215190151 496978393 /nfs/dbraw/zinc/97/83/93/496978393.db2.gz VCQFGOFTQWSNTQ-UHFFFAOYSA-N 1 1 352.438 3.264 50 0 FGAAMO COc1cc2c(cc1C[NH+]1CCC(Oc3cccnc3)CC1)OCCCO2 ZINC000215489822 496980865 /nfs/dbraw/zinc/98/08/65/496980865.db2.gz GXICKTUKNWZHCT-UHFFFAOYSA-N 1 1 370.449 3.295 50 0 FGAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)COc1ccccc1O)c1ccccc1 ZINC000215918502 496984818 /nfs/dbraw/zinc/98/48/18/496984818.db2.gz RDGRMIHILAXGKU-SFHVURJKSA-N 1 1 365.433 3.224 50 0 FGAAMO Cc1nc2ccc(C)cn2c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000215923445 496985422 /nfs/dbraw/zinc/98/54/22/496985422.db2.gz HIFOIWGIOVVLBW-KRWDZBQOSA-N 1 1 366.465 3.186 50 0 FGAAMO CCCOc1c(C[N@@H+](C)C[C@H]2CC(=O)N(C)C2)cc(Cl)cc1OC ZINC000216280015 496988411 /nfs/dbraw/zinc/98/84/11/496988411.db2.gz KNKVNTBKZYJHDJ-CYBMUJFWSA-N 1 1 354.878 3.048 50 0 FGAAMO Cc1nc2ccccc2n1CCC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000223052390 497031859 /nfs/dbraw/zinc/03/18/59/497031859.db2.gz FKLIEKDRVMWCHV-UHFFFAOYSA-N 1 1 351.454 3.057 50 0 FGAAMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000225406346 497062059 /nfs/dbraw/zinc/06/20/59/497062059.db2.gz GWEYFTXLFCKVAE-APWZRJJASA-N 1 1 365.562 3.486 50 0 FGAAMO CC[C@@H](C(=O)NCc1cn2c(cccc2C)n1)[N@@H+](C)Cc1ccccc1 ZINC000225803500 497076284 /nfs/dbraw/zinc/07/62/84/497076284.db2.gz VQUUYIJINHVJAL-IBGZPJMESA-N 1 1 350.466 3.170 50 0 FGAAMO Cc1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000226848510 497086525 /nfs/dbraw/zinc/08/65/25/497086525.db2.gz BSRFJBMEKOTWJC-HOTGVXAUSA-N 1 1 358.511 3.237 50 0 FGAAMO O=C(/C=C\c1cnn(-c2ccccc2)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000229517800 497097712 /nfs/dbraw/zinc/09/77/12/497097712.db2.gz PCZHUGXGYRTUOU-AXUYNXDZSA-N 1 1 372.472 3.276 50 0 FGAAMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000229423450 497098259 /nfs/dbraw/zinc/09/82/59/497098259.db2.gz NQJJBUILESCKER-UKRRQHHQSA-N 1 1 366.889 3.181 50 0 FGAAMO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000229423450 497098265 /nfs/dbraw/zinc/09/82/65/497098265.db2.gz NQJJBUILESCKER-UKRRQHHQSA-N 1 1 366.889 3.181 50 0 FGAAMO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000229816861 497100706 /nfs/dbraw/zinc/10/07/06/497100706.db2.gz NPOMAYQUYKOSJF-HUUCEWRRSA-N 1 1 354.458 3.396 50 0 FGAAMO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000229816861 497100710 /nfs/dbraw/zinc/10/07/10/497100710.db2.gz NPOMAYQUYKOSJF-HUUCEWRRSA-N 1 1 354.458 3.396 50 0 FGAAMO CCn1c(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)nc2ccccc21 ZINC000249691111 497233280 /nfs/dbraw/zinc/23/32/80/497233280.db2.gz LALXOEWDAFIOSM-UHFFFAOYSA-N 1 1 369.494 3.363 50 0 FGAAMO COC1(CC(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)CCC1 ZINC000252482301 497302962 /nfs/dbraw/zinc/30/29/62/497302962.db2.gz DCPIBNBWWUORNK-UHFFFAOYSA-N 1 1 373.497 3.317 50 0 FGAAMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000252496943 497306061 /nfs/dbraw/zinc/30/60/61/497306061.db2.gz PWBRBEOELLSCKV-OAHLLOKOSA-N 1 1 366.914 3.207 50 0 FGAAMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000252496943 497306065 /nfs/dbraw/zinc/30/60/65/497306065.db2.gz PWBRBEOELLSCKV-OAHLLOKOSA-N 1 1 366.914 3.207 50 0 FGAAMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nccs2)c(OC)c1 ZINC000240163547 497351376 /nfs/dbraw/zinc/35/13/76/497351376.db2.gz JBVNMLROGDOJGX-HNNXBMFYSA-N 1 1 361.467 3.326 50 0 FGAAMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nccs2)c(OC)c1 ZINC000240163547 497351384 /nfs/dbraw/zinc/35/13/84/497351384.db2.gz JBVNMLROGDOJGX-HNNXBMFYSA-N 1 1 361.467 3.326 50 0 FGAAMO COCCc1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000244882746 497372988 /nfs/dbraw/zinc/37/29/88/497372988.db2.gz XYAIFFXUEDMPHZ-ZDUSSCGKSA-N 1 1 358.467 3.248 50 0 FGAAMO COCCc1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000244882746 497372992 /nfs/dbraw/zinc/37/29/92/497372992.db2.gz XYAIFFXUEDMPHZ-ZDUSSCGKSA-N 1 1 358.467 3.248 50 0 FGAAMO CC[N@H+]1CCC[C@@H]1CNc1ncncc1-c1nc(-c2ccccc2F)no1 ZINC000244970196 497373880 /nfs/dbraw/zinc/37/38/80/497373880.db2.gz HNUGSSMZXREJOD-CYBMUJFWSA-N 1 1 368.416 3.229 50 0 FGAAMO Cc1noc([C@@]23C[N@H+](CCc4ccccc4)C[C@@H]2CCN(CC(C)C)C3)n1 ZINC000257192778 497387743 /nfs/dbraw/zinc/38/77/43/497387743.db2.gz VWOLCOAZPUVSGQ-UNMCSNQZSA-N 1 1 368.525 3.152 50 0 FGAAMO Cn1cccc1C(=O)N1CCC2(CC1)c1[nH]c3ccccc3c1CC[N@H+]2C ZINC000257193808 497388070 /nfs/dbraw/zinc/38/80/70/497388070.db2.gz RZSHNRYUIXVTHM-UHFFFAOYSA-N 1 1 362.477 3.126 50 0 FGAAMO Cn1cccc1C(=O)N1CCC2(CC1)c1[nH]c3ccccc3c1CC[N@@H+]2C ZINC000257193808 497388075 /nfs/dbraw/zinc/38/80/75/497388075.db2.gz RZSHNRYUIXVTHM-UHFFFAOYSA-N 1 1 362.477 3.126 50 0 FGAAMO CC(C)[C@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1nc(-c2ccncc2)no1 ZINC000333148405 498914981 /nfs/dbraw/zinc/91/49/81/498914981.db2.gz MCHBUEANIJIKPD-DLTWYDFYSA-N 1 1 371.485 3.206 50 0 FGAAMO Cn1cc(-c2ccc(C[N@@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)s2)cn1 ZINC000377701216 499722060 /nfs/dbraw/zinc/72/20/60/499722060.db2.gz NYRUMTNPOVTURJ-RDJZCZTQSA-N 1 1 359.520 3.418 50 0 FGAAMO Cn1ncc2cc(-c3ccc(C(=O)NCC[C@H]4CCC[N@H+]4C)cc3)ccc21 ZINC000426485661 500278123 /nfs/dbraw/zinc/27/81/23/500278123.db2.gz NVNUKAXQQOSKSZ-HXUWFJFHSA-N 1 1 362.477 3.454 50 0 FGAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000426530485 500286136 /nfs/dbraw/zinc/28/61/36/500286136.db2.gz PRYRQVVYWGWDKG-OALUTQOASA-N 1 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ZINC000584904426 507565321 /nfs/dbraw/zinc/56/53/21/507565321.db2.gz XMHLNBYSHPVRPQ-PMACEKPBSA-N 1 1 363.546 3.336 50 0 FGAAMO Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)n1 ZINC000299767059 534124802 /nfs/dbraw/zinc/12/48/02/534124802.db2.gz DMADCYMLAYEWHQ-IBGZPJMESA-N 1 1 364.453 3.473 50 0 FGAAMO CC(C)=CC[N@H+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO ZINC000020453960 519425946 /nfs/dbraw/zinc/42/59/46/519425946.db2.gz SZPDCCRGRCIYDA-FQEVSTJZSA-N 1 1 372.488 3.051 50 0 FGAAMO CC(C)CNc1nc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000079190659 519749838 /nfs/dbraw/zinc/74/98/38/519749838.db2.gz QNWLFFXUMBKWOL-GOEBONIOSA-N 1 1 350.532 3.205 50 0 FGAAMO O=C(CCc1ccccc1Cl)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000299792922 534469944 /nfs/dbraw/zinc/46/99/44/534469944.db2.gz GZFAVDXFCBGFSH-UHFFFAOYSA-N 1 1 357.885 3.402 50 0 FGAAMO O=C(CCc1ccccc1Cl)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000299792922 534469953 /nfs/dbraw/zinc/46/99/53/534469953.db2.gz GZFAVDXFCBGFSH-UHFFFAOYSA-N 1 1 357.885 3.402 50 0 FGAAMO Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)o1 ZINC000299801658 534530126 /nfs/dbraw/zinc/53/01/26/534530126.db2.gz XSLLDBYFLWGLQT-HKUYNNGSSA-N 1 1 354.385 3.023 50 0 FGAAMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Br)cc(OC)c1OC ZINC000020968340 521638872 /nfs/dbraw/zinc/63/88/72/521638872.db2.gz LAVBMQNLNQAOGQ-CQSZACIVSA-N 1 1 357.292 3.040 50 0 FGAAMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020968340 521638874 /nfs/dbraw/zinc/63/88/74/521638874.db2.gz LAVBMQNLNQAOGQ-CQSZACIVSA-N 1 1 357.292 3.040 50 0 FGAAMO COc1cc(-c2cccc(-c3ccn(CCn4cc[nH+]c4C)n3)c2)ncn1 ZINC000020586489 521899381 /nfs/dbraw/zinc/89/93/81/521899381.db2.gz DSYDKNNDRZDEHM-UHFFFAOYSA-N 1 1 360.421 3.221 50 0 FGAAMO C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c1 ZINC000091381673 521937651 /nfs/dbraw/zinc/93/76/51/521937651.db2.gz GGSCHVUXLGVICE-ZWKOTPCHSA-N 1 1 361.555 3.033 50 0 FGAAMO COCCn1cncc1C[N@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091487001 522141377 /nfs/dbraw/zinc/14/13/77/522141377.db2.gz UVPLTCJHVVWJJM-OAQYLSRUSA-N 1 1 371.481 3.103 50 0 FGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)ccc1F ZINC000020996606 522380370 /nfs/dbraw/zinc/38/03/70/522380370.db2.gz MPOVRIQAFAHQLA-FQEVSTJZSA-N 1 1 372.484 3.212 50 0 FGAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1C ZINC000247877286 524179802 /nfs/dbraw/zinc/17/98/02/524179802.db2.gz PKZURFJEPBCFTR-SFTDATJTSA-N 1 1 360.542 3.302 50 0 FGAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c1C ZINC000247877286 524179809 /nfs/dbraw/zinc/17/98/09/524179809.db2.gz PKZURFJEPBCFTR-SFTDATJTSA-N 1 1 360.542 3.302 50 0 FGAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000299776605 534766523 /nfs/dbraw/zinc/76/65/23/534766523.db2.gz DNKBBZYTBKBCJY-QGZVFWFLSA-N 1 1 350.426 3.187 50 0 FGAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000241926445 525250440 /nfs/dbraw/zinc/25/04/40/525250440.db2.gz UGGJLXGABHTHIU-MDZRGWNJSA-N 1 1 360.498 3.345 50 0 FGAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000241926445 525250449 /nfs/dbraw/zinc/25/04/49/525250449.db2.gz UGGJLXGABHTHIU-MDZRGWNJSA-N 1 1 360.498 3.345 50 0 FGAAMO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000079024603 525252567 /nfs/dbraw/zinc/25/25/67/525252567.db2.gz FOWPIOQGJMJIDA-AEFFLSMTSA-N 1 1 356.441 3.374 50 0 FGAAMO Cc1nn(CC(=O)N[C@@H](CCn2cc[nH+]c2C)c2ccccc2)c(C)c1C ZINC000299761439 534855871 /nfs/dbraw/zinc/85/58/71/534855871.db2.gz WRHRZPWJTCKDIS-FQEVSTJZSA-N 1 1 365.481 3.261 50 0 FGAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)Nc1cccc(F)c1 ZINC000082083155 526645273 /nfs/dbraw/zinc/64/52/73/526645273.db2.gz LJDWNTHZEMVISW-UHFFFAOYSA-N 1 1 371.460 3.492 50 0 FGAAMO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000240912247 526759295 /nfs/dbraw/zinc/75/92/95/526759295.db2.gz IWUMTLKBWMBLAK-ICSRJNTNSA-N 1 1 368.452 3.473 50 0 FGAAMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)[nH]1 ZINC000216498899 527076558 /nfs/dbraw/zinc/07/65/58/527076558.db2.gz HMCMVUYLUNOQRS-SFHVURJKSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000216498899 527076566 /nfs/dbraw/zinc/07/65/66/527076566.db2.gz HMCMVUYLUNOQRS-SFHVURJKSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000216498899 527076572 /nfs/dbraw/zinc/07/65/72/527076572.db2.gz HMCMVUYLUNOQRS-SFHVURJKSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000216498899 527076574 /nfs/dbraw/zinc/07/65/74/527076574.db2.gz HMCMVUYLUNOQRS-SFHVURJKSA-N 1 1 363.465 3.467 50 0 FGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000216498899 527076581 /nfs/dbraw/zinc/07/65/81/527076581.db2.gz HMCMVUYLUNOQRS-SFHVURJKSA-N 1 1 363.465 3.467 50 0 FGAAMO CC(C)c1nnc([C@H](C)NC(=O)C[NH+]2CCC(c3ccccc3)CC2)o1 ZINC000299756805 528464368 /nfs/dbraw/zinc/46/43/68/528464368.db2.gz HKGDFAJHTXFLDH-HNNXBMFYSA-N 1 1 356.470 3.250 50 0 FGAAMO Cc1ccccc1NC(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004792194 571071798 /nfs/dbraw/zinc/07/17/98/571071798.db2.gz LTFBCGKNLAUHBB-UHFFFAOYSA-N 1 1 370.472 3.468 50 0 FGAAMO CC1(C)CN(Cc2nnc(-c3ccco3)o2)CC[N@H+]1Cc1ccccc1 ZINC000078516913 571141554 /nfs/dbraw/zinc/14/15/54/571141554.db2.gz VTJDOJOMKURFCP-UHFFFAOYSA-N 1 1 352.438 3.426 50 0 FGAAMO COc1cccc2ccc(CN3CC[N@@H+](C4CCCC4)[C@H](CCO)C3)nc21 ZINC000039364488 571142211 /nfs/dbraw/zinc/14/22/11/571142211.db2.gz IMYRBJQKZOPMCP-HXUWFJFHSA-N 1 1 369.509 3.055 50 0 FGAAMO Cc1cnc(C)c(-c2cccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)c2)n1 ZINC000426383144 571217711 /nfs/dbraw/zinc/21/77/11/571217711.db2.gz RASPTMTUACMGTN-MRXNPFEDSA-N 1 1 364.493 3.459 50 0 FGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1 ZINC000426414814 571222364 /nfs/dbraw/zinc/22/23/64/571222364.db2.gz VHKJQJVSSSJLGB-SFHVURJKSA-N 1 1 354.450 3.282 50 0 FGAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cccc(N(C)C)c2)C1 ZINC000670443499 571349391 /nfs/dbraw/zinc/34/93/91/571349391.db2.gz SUXKRQDSEJRHEW-LJQANCHMSA-N 1 1 351.494 3.280 50 0 FGAAMO CCNc1ncc(CN2CCC([N@@H+](CC)Cc3ccccc3)CC2)cn1 ZINC000670452760 571353167 /nfs/dbraw/zinc/35/31/67/571353167.db2.gz OPGJNTLZWOCAFT-UHFFFAOYSA-N 1 1 353.514 3.395 50 0 FGAAMO