smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](C[C@@H]1CCOC1)CC(C)(C)C[NH+]1CCCC1 ZINC000823680623 810624647 /nfs/dbraw/zinc/62/46/47/810624647.db2.gz RBHSFDYIJQKHRF-AWEZNQCLSA-N 2 1 254.418 2.077 50 0 CEAAMP Cc1cc(N2CCC([N@H+](C)CCN(C)C)CC2)cc(C)[nH+]1 ZINC000823692180 810625518 /nfs/dbraw/zinc/62/55/18/810625518.db2.gz PKPOKQPGRAFUOT-UHFFFAOYSA-N 2 1 290.455 2.161 50 0 CEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000584890090 344999463 /nfs/dbraw/zinc/99/94/63/344999463.db2.gz ZEYXYQOVEBPVTE-ZDUSSCGKSA-N 2 1 258.369 2.327 50 0 CEAAMP Cn1cc(C2=CC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000065426425 362820911 /nfs/dbraw/zinc/82/09/11/362820911.db2.gz VAORXRQCTUAERR-QGZVFWFLSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000065426425 362820919 /nfs/dbraw/zinc/82/09/19/362820919.db2.gz VAORXRQCTUAERR-QGZVFWFLSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000065426425 362820929 /nfs/dbraw/zinc/82/09/29/362820929.db2.gz VAORXRQCTUAERR-QGZVFWFLSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000065426425 362820935 /nfs/dbraw/zinc/82/09/35/362820935.db2.gz VAORXRQCTUAERR-QGZVFWFLSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000065426422 362821675 /nfs/dbraw/zinc/82/16/75/362821675.db2.gz VAORXRQCTUAERR-KRWDZBQOSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000065426422 362821677 /nfs/dbraw/zinc/82/16/77/362821677.db2.gz VAORXRQCTUAERR-KRWDZBQOSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000065426422 362821680 /nfs/dbraw/zinc/82/16/80/362821680.db2.gz VAORXRQCTUAERR-KRWDZBQOSA-N 2 1 288.439 2.384 50 0 CEAAMP Cn1cc(C2=CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000065426422 362821682 /nfs/dbraw/zinc/82/16/82/362821682.db2.gz VAORXRQCTUAERR-KRWDZBQOSA-N 2 1 288.439 2.384 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(C)n2)CC1 ZINC000019148182 361521554 /nfs/dbraw/zinc/52/15/54/361521554.db2.gz XJEFHOYNWTULJX-UHFFFAOYSA-N 2 1 299.422 2.107 50 0 CEAAMP Cc1ccc(C(C)(C)C)c(OCC[NH2+]CC[NH3+])c1 ZINC000020118334 361580197 /nfs/dbraw/zinc/58/01/97/361580197.db2.gz CDJHDYIBZJCDBQ-UHFFFAOYSA-N 2 1 250.386 2.220 50 0 CEAAMP CC[C@@H](COC)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000095423126 364369899 /nfs/dbraw/zinc/36/98/99/364369899.db2.gz WQEOOYHZIUSMIX-AWEZNQCLSA-N 2 1 277.412 2.373 50 0 CEAAMP OCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000178973362 368318521 /nfs/dbraw/zinc/31/85/21/368318521.db2.gz YWMXNQDBAWVKRW-SFHVURJKSA-N 2 1 288.435 2.358 50 0 CEAAMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000350175183 369520936 /nfs/dbraw/zinc/52/09/36/369520936.db2.gz GNGWXWZFBURFLD-UHFFFAOYSA-N 2 1 298.814 2.477 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)[nH+]1 ZINC000225219324 370287214 /nfs/dbraw/zinc/28/72/14/370287214.db2.gz KMNKQVSTRNCJBT-HUUCEWRRSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)[nH+]1 ZINC000225219324 370287218 /nfs/dbraw/zinc/28/72/18/370287218.db2.gz KMNKQVSTRNCJBT-HUUCEWRRSA-N 2 1 275.396 2.160 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH2+]C)C2)C[C@H]1C ZINC000253370106 371511937 /nfs/dbraw/zinc/51/19/37/371511937.db2.gz MERLYXYDMMVPAD-CBBWQLFWSA-N 2 1 282.428 2.038 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH2+]C)C2)C[C@H]1C ZINC000253370106 371511944 /nfs/dbraw/zinc/51/19/44/371511944.db2.gz MERLYXYDMMVPAD-CBBWQLFWSA-N 2 1 282.428 2.038 50 0 CEAAMP CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000079092806 394629705 /nfs/dbraw/zinc/62/97/05/394629705.db2.gz MCGXQCOGJLBSMY-GJZGRUSLSA-N 2 1 297.487 2.199 50 0 CEAAMP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(c2ncon2)CC1 ZINC000216422236 400306073 /nfs/dbraw/zinc/30/60/73/400306073.db2.gz OCQVTJFAKXTFKK-UHFFFAOYSA-N 2 1 292.427 2.371 50 0 CEAAMP Cc1[nH+]ccn1CCCN1CC[NH+](C2CCCC2)CC1 ZINC000020149103 171037928 /nfs/dbraw/zinc/03/79/28/171037928.db2.gz CJQLEIGDPPCWTD-UHFFFAOYSA-N 2 1 276.428 2.142 50 0 CEAAMP C[NH+]1CCC([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000040495418 174294487 /nfs/dbraw/zinc/29/44/87/174294487.db2.gz USCVDDIQKLQCHR-UHFFFAOYSA-N 2 1 270.380 2.056 50 0 CEAAMP C[C@H]1CCC[N@@H+](CCN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000229401542 278342067 /nfs/dbraw/zinc/34/20/67/278342067.db2.gz YIAUBGKYDGDXLN-DLBZAZTESA-N 2 1 279.472 2.279 50 0 CEAAMP C([NH2+]CC1([NH+]2CCCCC2)CCCC1)[C@@H]1CCOC1 ZINC000952960258 815078743 /nfs/dbraw/zinc/07/87/43/815078743.db2.gz TYTHPYSUPIHLDL-HNNXBMFYSA-N 2 1 266.429 2.411 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C(C)(C)C)n[nH]1 ZINC000952987986 815095254 /nfs/dbraw/zinc/09/52/54/815095254.db2.gz PJFXKGQQXCVBPF-UHFFFAOYSA-N 2 1 275.400 2.392 50 0 CEAAMP CC(C)(O)[C@@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000822293569 810580597 /nfs/dbraw/zinc/58/05/97/810580597.db2.gz KZQKZCRFJVVJDJ-GFCCVEGCSA-N 2 1 268.445 2.388 50 0 CEAAMP CC[N@H+]1CCC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000032558312 361742863 /nfs/dbraw/zinc/74/28/63/361742863.db2.gz LXCBKAKAZBTIGK-QGZVFWFLSA-N 2 1 279.472 2.421 50 0 CEAAMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000042960744 362130954 /nfs/dbraw/zinc/13/09/54/362130954.db2.gz MHNLATHAZJHHSO-UHFFFAOYSA-N 2 1 297.406 2.188 50 0 CEAAMP CCc1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000170602101 344485680 /nfs/dbraw/zinc/48/56/80/344485680.db2.gz MJLAUBCZEJIIFS-OAHLLOKOSA-N 2 1 273.424 2.251 50 0 CEAAMP CCc1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000170602101 344485683 /nfs/dbraw/zinc/48/56/83/344485683.db2.gz MJLAUBCZEJIIFS-OAHLLOKOSA-N 2 1 273.424 2.251 50 0 CEAAMP CCc1cc(N[C@@H]2CCC[N@@H+](CC)C2)nc(N(C)C)[nH+]1 ZINC000065407575 362818268 /nfs/dbraw/zinc/81/82/68/362818268.db2.gz LSLKTSICUSXXCH-CYBMUJFWSA-N 2 1 277.416 2.001 50 0 CEAAMP CCc1cc(N[C@@H]2CCC[N@H+](CC)C2)nc(N(C)C)[nH+]1 ZINC000065407575 362818273 /nfs/dbraw/zinc/81/82/73/362818273.db2.gz LSLKTSICUSXXCH-CYBMUJFWSA-N 2 1 277.416 2.001 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c1 ZINC000065474989 362825870 /nfs/dbraw/zinc/82/58/70/362825870.db2.gz VSRJJXFHIWADOC-GJZGRUSLSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c1 ZINC000065474989 362825873 /nfs/dbraw/zinc/82/58/73/362825873.db2.gz VSRJJXFHIWADOC-GJZGRUSLSA-N 2 1 275.396 2.160 50 0 CEAAMP c1nc2c([nH]1)[C@H](c1cc(C[NH+]3CCCC3)cs1)[NH2+]CC2 ZINC000065458858 362824632 /nfs/dbraw/zinc/82/46/32/362824632.db2.gz OXPZSHHIGFIZEY-HNNXBMFYSA-N 2 1 288.420 2.302 50 0 CEAAMP Cc1nc(NCc2c(C)ncc3c2CC[NH2+]C3)c(C)c(C)[nH+]1 ZINC000091621515 180209380 /nfs/dbraw/zinc/20/93/80/180209380.db2.gz ZEOGMMOPLOFJHI-UHFFFAOYSA-N 2 1 297.406 2.363 50 0 CEAAMP COCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076089713 363519694 /nfs/dbraw/zinc/51/96/94/363519694.db2.gz JXXFGBPIOWXWLE-INIZCTEOSA-N 2 1 262.397 2.087 50 0 CEAAMP COCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076089713 363519697 /nfs/dbraw/zinc/51/96/97/363519697.db2.gz JXXFGBPIOWXWLE-INIZCTEOSA-N 2 1 262.397 2.087 50 0 CEAAMP COCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076089713 363519706 /nfs/dbraw/zinc/51/97/06/363519706.db2.gz JXXFGBPIOWXWLE-INIZCTEOSA-N 2 1 262.397 2.087 50 0 CEAAMP C[NH+](C)C[C@H]1COCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670468532 540425987 /nfs/dbraw/zinc/42/59/87/540425987.db2.gz CYVFPBPDBARAEO-CQSZACIVSA-N 2 1 287.407 2.178 50 0 CEAAMP C[NH+](C)C[C@H]1COCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670468532 540425989 /nfs/dbraw/zinc/42/59/89/540425989.db2.gz CYVFPBPDBARAEO-CQSZACIVSA-N 2 1 287.407 2.178 50 0 CEAAMP [NH2+]=C1NC(=[NH2+])N(c2ccc(Cl)cc2)[C@@H](c2ccccc2)N1 ZINC000017039796 361502190 /nfs/dbraw/zinc/50/21/90/361502190.db2.gz VNPFRENABXECQF-ZDUSSCGKSA-N 2 1 299.765 2.488 50 0 CEAAMP CC[C@@H](C)c1ccccc1OCCOCC[NH2+]CC[NH3+] ZINC000020118534 361580980 /nfs/dbraw/zinc/58/09/80/361580980.db2.gz WUHXKEXOPFGPDY-CQSZACIVSA-N 2 1 280.412 2.144 50 0 CEAAMP COc1cc[nH+]c(N2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000157412955 366843869 /nfs/dbraw/zinc/84/38/69/366843869.db2.gz UWIYZGOGLJREQT-UHFFFAOYSA-N 2 1 284.363 2.120 50 0 CEAAMP Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000292784448 377280228 /nfs/dbraw/zinc/28/02/28/377280228.db2.gz LZSSCIJOESEJKY-GOSISDBHSA-N 2 1 297.402 2.221 50 0 CEAAMP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CCCC1 ZINC000431911885 377685945 /nfs/dbraw/zinc/68/59/45/377685945.db2.gz GDMYDLIVYKGJEA-OAHLLOKOSA-N 2 1 295.471 2.242 50 0 CEAAMP Fc1ccc(N2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000244794799 394496863 /nfs/dbraw/zinc/49/68/63/394496863.db2.gz QTRLHDPKOYFIDG-HNNXBMFYSA-N 2 1 291.414 2.337 50 0 CEAAMP Cn1cc(CC[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cn1 ZINC000072146406 176324888 /nfs/dbraw/zinc/32/48/88/176324888.db2.gz CKZIRICWUSPULZ-DLBZAZTESA-N 2 1 290.455 2.159 50 0 CEAAMP Cn1cc(CC[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cn1 ZINC000072146406 176324889 /nfs/dbraw/zinc/32/48/89/176324889.db2.gz CKZIRICWUSPULZ-DLBZAZTESA-N 2 1 290.455 2.159 50 0 CEAAMP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000072146406 176324891 /nfs/dbraw/zinc/32/48/91/176324891.db2.gz CKZIRICWUSPULZ-DLBZAZTESA-N 2 1 290.455 2.159 50 0 CEAAMP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000072146406 176324892 /nfs/dbraw/zinc/32/48/92/176324892.db2.gz CKZIRICWUSPULZ-DLBZAZTESA-N 2 1 290.455 2.159 50 0 CEAAMP CC(C)[C@@H]1CN(c2cc[nH+]c(N)n2)CCC[N@@H+]1CC1CC1 ZINC000071753474 264255833 /nfs/dbraw/zinc/25/58/33/264255833.db2.gz SXDGRYMIMKENKD-AWEZNQCLSA-N 2 1 289.427 2.006 50 0 CEAAMP CC(C)[C@@H]1CN(c2cc[nH+]c(N)n2)CCC[N@H+]1CC1CC1 ZINC000071753474 264255835 /nfs/dbraw/zinc/25/58/35/264255835.db2.gz SXDGRYMIMKENKD-AWEZNQCLSA-N 2 1 289.427 2.006 50 0 CEAAMP Cc1ccccc1[C@@H](CNc1nc[nH+]c(N)c1C)[NH+](C)C ZINC000823652654 810622157 /nfs/dbraw/zinc/62/21/57/810622157.db2.gz VWPBRSBULFPMGF-CQSZACIVSA-N 2 1 285.395 2.390 50 0 CEAAMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CC1(CO)CCCC1 ZINC000828686746 810831942 /nfs/dbraw/zinc/83/19/42/810831942.db2.gz KBGJGPCQYKMCRD-HNNXBMFYSA-N 2 1 268.445 2.393 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC)C1 ZINC000037643982 361915186 /nfs/dbraw/zinc/91/51/86/361915186.db2.gz SBGRDDKIZFFOSV-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC)C1 ZINC000037643982 361915191 /nfs/dbraw/zinc/91/51/91/361915191.db2.gz SBGRDDKIZFFOSV-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OC)C1 ZINC000037643747 361915534 /nfs/dbraw/zinc/91/55/34/361915534.db2.gz MCBQYGZVCBOGGM-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OC)C1 ZINC000037643747 361915538 /nfs/dbraw/zinc/91/55/38/361915538.db2.gz MCBQYGZVCBOGGM-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP CC(=O)NC(C)(C)C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584888596 344998888 /nfs/dbraw/zinc/99/88/88/344998888.db2.gz TUSIHZIABVXELF-ZDUSSCGKSA-N 2 1 283.460 2.144 50 0 CEAAMP c1cn(-c2ccc(O[C@@]34CC[N@@H+](C3)CCC4)cc2)cn1 ZINC000067820180 362927246 /nfs/dbraw/zinc/92/72/46/362927246.db2.gz FFLMQWZCSAIHAC-INIZCTEOSA-N 2 1 269.348 2.489 50 0 CEAAMP O=C(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)Nc1ccccc1 ZINC000080959312 363689911 /nfs/dbraw/zinc/68/99/11/363689911.db2.gz HJTFCCVKLIYXCJ-ZDUSSCGKSA-N 2 1 284.363 2.228 50 0 CEAAMP O=C(C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)Nc1ccccc1 ZINC000080959312 363689916 /nfs/dbraw/zinc/68/99/16/363689916.db2.gz HJTFCCVKLIYXCJ-ZDUSSCGKSA-N 2 1 284.363 2.228 50 0 CEAAMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000000221138 361149120 /nfs/dbraw/zinc/14/91/20/361149120.db2.gz LVNOGODKWOLGQG-QGZVFWFLSA-N 2 1 274.408 2.420 50 0 CEAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000013733116 361439779 /nfs/dbraw/zinc/43/97/79/361439779.db2.gz VJNZEFWAMRRXDU-UHFFFAOYSA-N 2 1 277.195 2.055 50 0 CEAAMP CC[NH+](CC)C[C@@H]1CCCN1C(=O)[C@H]1CCCCC[N@H+]1C ZINC000019147692 361521252 /nfs/dbraw/zinc/52/12/52/361521252.db2.gz PASKCXXWPATECB-JKSUJKDBSA-N 2 1 295.471 2.194 50 0 CEAAMP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000019889833 361563964 /nfs/dbraw/zinc/56/39/64/361563964.db2.gz VYTOIIVAOLAUDK-UHFFFAOYSA-N 2 1 291.414 2.038 50 0 CEAAMP [NH3+]CC[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000097076282 364439705 /nfs/dbraw/zinc/43/97/05/364439705.db2.gz BXSFLSTXXLPRGO-CYBMUJFWSA-N 2 1 276.405 2.451 50 0 CEAAMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000097076282 364439711 /nfs/dbraw/zinc/43/97/11/364439711.db2.gz BXSFLSTXXLPRGO-CYBMUJFWSA-N 2 1 276.405 2.451 50 0 CEAAMP COc1cc(C)ccc1OCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000244678893 370794697 /nfs/dbraw/zinc/79/46/97/370794697.db2.gz ILWRWRAGRCOLHL-AWEZNQCLSA-N 2 1 278.396 2.196 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000244795445 370799157 /nfs/dbraw/zinc/79/91/57/370799157.db2.gz RGOOMXUDNLXNME-HUUCEWRRSA-N 2 1 263.385 2.225 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000244795445 370799161 /nfs/dbraw/zinc/79/91/61/370799161.db2.gz RGOOMXUDNLXNME-HUUCEWRRSA-N 2 1 263.385 2.225 50 0 CEAAMP c1nn([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934602 371776819 /nfs/dbraw/zinc/77/68/19/371776819.db2.gz LWXZNQOUNMFKNE-ZBFHGGJFSA-N 2 1 284.407 2.283 50 0 CEAAMP C[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccco2)CC1 ZINC000078553884 135001807 /nfs/dbraw/zinc/00/18/07/135001807.db2.gz OLFSDVUGGZSBNL-UHFFFAOYSA-N 2 1 285.391 2.321 50 0 CEAAMP Cc1nc(N2CCC3(CC2)CCC[N@H+](C)CC3)cc(N)[nH+]1 ZINC000091390818 135068380 /nfs/dbraw/zinc/06/83/80/135068380.db2.gz JRJFBQYLNCOSFP-UHFFFAOYSA-N 2 1 289.427 2.070 50 0 CEAAMP Cc1nc(N)cc(N2CCC3(CC2)CCC[N@@H+](C)CC3)[nH+]1 ZINC000091390818 135068382 /nfs/dbraw/zinc/06/83/82/135068382.db2.gz JRJFBQYLNCOSFP-UHFFFAOYSA-N 2 1 289.427 2.070 50 0 CEAAMP Cc1nc(N)cc(N2CCC3(CC2)CCC[N@H+](C)CC3)[nH+]1 ZINC000091390818 135068384 /nfs/dbraw/zinc/06/83/84/135068384.db2.gz JRJFBQYLNCOSFP-UHFFFAOYSA-N 2 1 289.427 2.070 50 0 CEAAMP Cn1cncc1C[N@H+](C)Cc1ccccc1C[NH+](C)C ZINC000216435597 400306091 /nfs/dbraw/zinc/30/60/91/400306091.db2.gz FFBFSFSQTXNVGM-UHFFFAOYSA-N 2 1 272.396 2.114 50 0 CEAAMP Cn1cncc1C[N@@H+](C)Cc1ccccc1C[NH+](C)C ZINC000216435597 400306097 /nfs/dbraw/zinc/30/60/97/400306097.db2.gz FFBFSFSQTXNVGM-UHFFFAOYSA-N 2 1 272.396 2.114 50 0 CEAAMP COc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408264 173184645 /nfs/dbraw/zinc/18/46/45/173184645.db2.gz FCDXGZFHBOXKNJ-ZDUSSCGKSA-N 2 1 260.381 2.269 50 0 CEAAMP COc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408264 173184648 /nfs/dbraw/zinc/18/46/48/173184648.db2.gz FCDXGZFHBOXKNJ-ZDUSSCGKSA-N 2 1 260.381 2.269 50 0 CEAAMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000071857559 176278758 /nfs/dbraw/zinc/27/87/58/176278758.db2.gz ORKAFJRVOOFLHN-UHFFFAOYSA-N 2 1 293.430 2.189 50 0 CEAAMP C[N@H+](Cc1cccc2cnccc21)C[C@H]1CC[NH2+]C1 ZINC000072149533 176326778 /nfs/dbraw/zinc/32/67/78/176326778.db2.gz NRVFOUWEMDKYFV-ZDUSSCGKSA-N 2 1 255.365 2.276 50 0 CEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC000534576101 328309900 /nfs/dbraw/zinc/30/99/00/328309900.db2.gz XPIDLMZXKZHDEN-AWEZNQCLSA-N 2 1 287.411 2.101 50 0 CEAAMP c1cnn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)c1 ZINC000067885608 641351498 /nfs/dbraw/zinc/35/14/98/641351498.db2.gz AAEWNVKJKUALCO-UHFFFAOYSA-N 2 1 296.418 2.448 50 0 CEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCC(C)(C)OC ZINC000824250325 810697769 /nfs/dbraw/zinc/69/77/69/810697769.db2.gz ZSHRWEHKEIAQFV-LBPRGKRZSA-N 2 1 253.390 2.239 50 0 CEAAMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CCCn1ccccc1=O ZINC000670456656 540419113 /nfs/dbraw/zinc/41/91/13/540419113.db2.gz MBFZBJCJNCZBEV-MRXNPFEDSA-N 2 1 291.439 2.093 50 0 CEAAMP C[NH+](C)C[C@@H]1COCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670468531 540426002 /nfs/dbraw/zinc/42/60/02/540426002.db2.gz CYVFPBPDBARAEO-AWEZNQCLSA-N 2 1 287.407 2.178 50 0 CEAAMP C[NH+](C)C[C@@H]1COCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670468531 540426004 /nfs/dbraw/zinc/42/60/04/540426004.db2.gz CYVFPBPDBARAEO-AWEZNQCLSA-N 2 1 287.407 2.178 50 0 CEAAMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000095967717 299292564 /nfs/dbraw/zinc/29/25/64/299292564.db2.gz JAVXZACNEAHNIN-AWEZNQCLSA-N 2 1 255.450 2.038 50 0 CEAAMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196884 361305432 /nfs/dbraw/zinc/30/54/32/361305432.db2.gz RSTSMVMSMDWOHJ-MBNYWOFBSA-N 2 1 276.380 2.234 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196884 361305436 /nfs/dbraw/zinc/30/54/36/361305436.db2.gz RSTSMVMSMDWOHJ-MBNYWOFBSA-N 2 1 276.380 2.234 50 0 CEAAMP CC[N@H+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000245339327 370808674 /nfs/dbraw/zinc/80/86/74/370808674.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000245339327 370808681 /nfs/dbraw/zinc/80/86/81/370808681.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000245339327 370808684 /nfs/dbraw/zinc/80/86/84/370808684.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 2 1 279.472 2.322 50 0 CEAAMP Cc1cccc(N2CC[N@H+](Cc3ccncc3)[C@@H](C)C2)n1 ZINC000195530861 370137111 /nfs/dbraw/zinc/13/71/11/370137111.db2.gz BDNZMJLAFRLSIB-HNNXBMFYSA-N 2 1 282.391 2.496 50 0 CEAAMP Cc1cccc(N2CC[N@@H+](Cc3ccncc3)[C@@H](C)C2)n1 ZINC000195530861 370137117 /nfs/dbraw/zinc/13/71/17/370137117.db2.gz BDNZMJLAFRLSIB-HNNXBMFYSA-N 2 1 282.391 2.496 50 0 CEAAMP c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000521396539 395255009 /nfs/dbraw/zinc/25/50/09/395255009.db2.gz WJTXYELWEXJBGF-UHFFFAOYSA-N 2 1 268.364 2.189 50 0 CEAAMP Cc1cccc(C(C)(C)C)c1OCC[NH2+]CC[NH3+] ZINC000020117881 281197352 /nfs/dbraw/zinc/19/73/52/281197352.db2.gz YQURREXLJHDPFJ-UHFFFAOYSA-N 2 1 250.386 2.220 50 0 CEAAMP C(CSCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000096484375 527488017 /nfs/dbraw/zinc/48/80/17/527488017.db2.gz OTEMDEPVMCXJMY-KGLIPLIRSA-N 2 1 254.443 2.346 50 0 CEAAMP Cc1nccn1CC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426635484 804882873 /nfs/dbraw/zinc/88/28/73/804882873.db2.gz OINHYKMUSZLDKW-AWEZNQCLSA-N 2 1 276.428 2.046 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426635484 804882879 /nfs/dbraw/zinc/88/28/79/804882879.db2.gz OINHYKMUSZLDKW-AWEZNQCLSA-N 3 1 276.428 2.046 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426635484 804882887 /nfs/dbraw/zinc/88/28/87/804882887.db2.gz OINHYKMUSZLDKW-AWEZNQCLSA-N 3 1 276.428 2.046 50 0 CEAAMP COc1ncccc1C[NH2+]CCCNc1ccc(C)c[nH+]1 ZINC000952985036 815094218 /nfs/dbraw/zinc/09/42/18/815094218.db2.gz AJOOJGRDAIFBTF-UHFFFAOYSA-N 2 1 286.379 2.385 50 0 CEAAMP CCc1nccn1C[C@@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000823557444 810620574 /nfs/dbraw/zinc/62/05/74/810620574.db2.gz QJGADXIQVJJMDT-OAHLLOKOSA-N 2 1 278.444 2.250 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2OC)C1 ZINC000037644349 361915341 /nfs/dbraw/zinc/91/53/41/361915341.db2.gz CEUWWDLHYMQIIY-CQSZACIVSA-N 2 1 262.397 2.435 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2OC)C1 ZINC000037644349 361915346 /nfs/dbraw/zinc/91/53/46/361915346.db2.gz CEUWWDLHYMQIIY-CQSZACIVSA-N 2 1 262.397 2.435 50 0 CEAAMP C[NH+]1CCN(CCC[N@@H+](Cc2ccsc2)C2CC2)CC1 ZINC000069974322 363017239 /nfs/dbraw/zinc/01/72/39/363017239.db2.gz XACXPRQTNUTVJQ-UHFFFAOYSA-N 2 1 293.480 2.350 50 0 CEAAMP O=C(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)Nc1ccccc1 ZINC000080959314 363689789 /nfs/dbraw/zinc/68/97/89/363689789.db2.gz HJTFCCVKLIYXCJ-CYBMUJFWSA-N 2 1 284.363 2.228 50 0 CEAAMP O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)Nc1ccccc1 ZINC000080959314 363689793 /nfs/dbraw/zinc/68/97/93/363689793.db2.gz HJTFCCVKLIYXCJ-CYBMUJFWSA-N 2 1 284.363 2.228 50 0 CEAAMP OC[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000213753 361146962 /nfs/dbraw/zinc/14/69/62/361146962.db2.gz WRTUWLCILMJTCA-GOSISDBHSA-N 2 1 288.435 2.150 50 0 CEAAMP OC[C@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000213753 361146965 /nfs/dbraw/zinc/14/69/65/361146965.db2.gz WRTUWLCILMJTCA-GOSISDBHSA-N 2 1 288.435 2.150 50 0 CEAAMP Cc1cc(OCCC[NH2+]CC[NH3+])cc(C(C)C)c1 ZINC000020117970 361580960 /nfs/dbraw/zinc/58/09/60/361580960.db2.gz BCBVNLSPTBKHAQ-UHFFFAOYSA-N 2 1 250.386 2.436 50 0 CEAAMP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]cc2Cl)CC1 ZINC000084789283 363822768 /nfs/dbraw/zinc/82/27/68/363822768.db2.gz GHXOKTCNOXLLIO-LBPRGKRZSA-N 2 1 282.819 2.173 50 0 CEAAMP Cc1c[nH+]c([C@@H]2CC[NH2+]C2)n1Cc1ccc(F)cc1 ZINC000169676607 367370457 /nfs/dbraw/zinc/37/04/57/367370457.db2.gz NVUXSJWOGSGRAS-CYBMUJFWSA-N 2 1 259.328 2.456 50 0 CEAAMP CC(C)Oc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193616627 369962691 /nfs/dbraw/zinc/96/26/91/369962691.db2.gz FCJMNPPWRWFOOR-IYBDPMFKSA-N 2 1 274.408 2.467 50 0 CEAAMP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000195548958 370140908 /nfs/dbraw/zinc/14/09/08/370140908.db2.gz PBRCDWOEHACFRP-XOSAIJSUSA-N 2 1 276.424 2.347 50 0 CEAAMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC([NH+](C)C)CC1 ZINC000225846697 370322070 /nfs/dbraw/zinc/32/20/70/370322070.db2.gz XTKDMYCOWFQFQM-MRXNPFEDSA-N 2 1 267.461 2.275 50 0 CEAAMP C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252587017 371458031 /nfs/dbraw/zinc/45/80/31/371458031.db2.gz VDCSGLCDMSBNDG-VDHUWJSZSA-N 2 1 288.435 2.258 50 0 CEAAMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCOC1 ZINC000389065346 375297543 /nfs/dbraw/zinc/29/75/43/375297543.db2.gz VELGPXVQBNNYQQ-SOUVJXGZSA-N 2 1 254.418 2.266 50 0 CEAAMP CC(C)OCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261727500 394606573 /nfs/dbraw/zinc/60/65/73/394606573.db2.gz LQTIKERTZIJFND-CVEARBPZSA-N 2 1 262.397 2.086 50 0 CEAAMP [NH3+]C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000020266872 260117219 /nfs/dbraw/zinc/11/72/19/260117219.db2.gz MZYJWGIWBBZSPK-UHFFFAOYSA-N 2 1 299.212 2.251 50 0 CEAAMP CCn1ncc(C[NH2+][C@@H](C)CCn2cc[nH+]c2C)c1C ZINC000534574495 328309492 /nfs/dbraw/zinc/30/94/92/328309492.db2.gz AMOPVYZHOUXPGZ-LBPRGKRZSA-N 2 1 275.400 2.285 50 0 CEAAMP CCc1[nH+]ccn1[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023310869 625709999 /nfs/dbraw/zinc/70/99/99/625709999.db2.gz MNQDJTWDHVPLAT-SJORKVTESA-N 2 1 297.402 2.031 50 0 CEAAMP C[N@H+](CC1=CCCCC1)CC1CC[NH+](CCO)CC1 ZINC000828759848 810843130 /nfs/dbraw/zinc/84/31/30/810843130.db2.gz BZDMUHHYXMZCPQ-UHFFFAOYSA-N 2 1 266.429 2.123 50 0 CEAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000050245316 362411606 /nfs/dbraw/zinc/41/16/06/362411606.db2.gz KLFVWZACBWXKGF-NSHDSACASA-N 2 1 258.287 2.486 50 0 CEAAMP CC(=O)NC(C)(C)C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584888595 344999081 /nfs/dbraw/zinc/99/90/81/344999081.db2.gz TUSIHZIABVXELF-CYBMUJFWSA-N 2 1 283.460 2.144 50 0 CEAAMP Cc1c[nH+]c(N)nc1NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000091548334 180188041 /nfs/dbraw/zinc/18/80/41/180188041.db2.gz JNJGHUSXWLYGHU-QWHCGFSZSA-N 2 1 275.400 2.044 50 0 CEAAMP Cc1c[nH+]c(N)nc1NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000091548334 180188043 /nfs/dbraw/zinc/18/80/43/180188043.db2.gz JNJGHUSXWLYGHU-QWHCGFSZSA-N 2 1 275.400 2.044 50 0 CEAAMP Cc1nc(NCCCOC2CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC000091645906 180214974 /nfs/dbraw/zinc/21/49/74/180214974.db2.gz KKAIMTZIGDJVFU-UHFFFAOYSA-N 2 1 292.427 2.315 50 0 CEAAMP NC(=[NH2+])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002232480 283262075 /nfs/dbraw/zinc/26/20/75/283262075.db2.gz FDGDBKWWNQATBS-UHFFFAOYSA-N 2 1 294.402 2.287 50 0 CEAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC000670451313 540414982 /nfs/dbraw/zinc/41/49/82/540414982.db2.gz XKMUPAPPQUPUAZ-INIZCTEOSA-N 2 1 266.429 2.387 50 0 CEAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC000670451313 540414983 /nfs/dbraw/zinc/41/49/83/540414983.db2.gz XKMUPAPPQUPUAZ-INIZCTEOSA-N 2 1 266.429 2.387 50 0 CEAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC000670451313 540414985 /nfs/dbraw/zinc/41/49/85/540414985.db2.gz XKMUPAPPQUPUAZ-INIZCTEOSA-N 2 1 266.429 2.387 50 0 CEAAMP CC[NH+](CC)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000019147686 361521421 /nfs/dbraw/zinc/52/14/21/361521421.db2.gz PASKCXXWPATECB-HOTGVXAUSA-N 2 1 295.471 2.194 50 0 CEAAMP Cn1cncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000237922345 370760480 /nfs/dbraw/zinc/76/04/80/370760480.db2.gz SIPMBZKGKIRAGS-UHFFFAOYSA-N 2 1 276.428 2.164 50 0 CEAAMP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420479 364367963 /nfs/dbraw/zinc/36/79/63/364367963.db2.gz OVKHQJWGMBCAQB-JKSUJKDBSA-N 2 1 265.445 2.076 50 0 CEAAMP CCn1c(C[N@H+](C)CC2CCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244773909 370797856 /nfs/dbraw/zinc/79/78/56/370797856.db2.gz PIPNSOOFACLTAZ-OKILXGFUSA-N 2 1 291.443 2.125 50 0 CEAAMP CCn1c(C[N@@H+](C)CC2CCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244773909 370797860 /nfs/dbraw/zinc/79/78/60/370797860.db2.gz PIPNSOOFACLTAZ-OKILXGFUSA-N 2 1 291.443 2.125 50 0 CEAAMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588821 394554271 /nfs/dbraw/zinc/55/42/71/394554271.db2.gz QWRVWWPTRLVFKE-RDJZCZTQSA-N 2 1 296.455 2.131 50 0 CEAAMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588821 394554274 /nfs/dbraw/zinc/55/42/74/394554274.db2.gz QWRVWWPTRLVFKE-RDJZCZTQSA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588821 394554277 /nfs/dbraw/zinc/55/42/77/394554277.db2.gz QWRVWWPTRLVFKE-RDJZCZTQSA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588821 394554280 /nfs/dbraw/zinc/55/42/80/394554280.db2.gz QWRVWWPTRLVFKE-RDJZCZTQSA-N 2 1 296.455 2.131 50 0 CEAAMP Fc1ccc(C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000071721689 176252739 /nfs/dbraw/zinc/25/27/39/176252739.db2.gz BYBNJERFQJJPNS-KRWDZBQOSA-N 2 1 292.398 2.069 50 0 CEAAMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H](CCO)c1ccccc1 ZINC000871596605 640208491 /nfs/dbraw/zinc/20/84/91/640208491.db2.gz SWKGQOKYHSHQNX-QGZVFWFLSA-N 2 1 276.424 2.384 50 0 CEAAMP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2(CO)CCCC2)C1 ZINC000823109888 810605714 /nfs/dbraw/zinc/60/57/14/810605714.db2.gz RZUKTHXKQPQKAL-HNNXBMFYSA-N 2 1 268.445 2.203 50 0 CEAAMP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2(CO)CCCC2)C1 ZINC000823109888 810605717 /nfs/dbraw/zinc/60/57/17/810605717.db2.gz RZUKTHXKQPQKAL-HNNXBMFYSA-N 2 1 268.445 2.203 50 0 CEAAMP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2(CO)CCCC2)C1 ZINC000823109888 810605721 /nfs/dbraw/zinc/60/57/21/810605721.db2.gz RZUKTHXKQPQKAL-HNNXBMFYSA-N 2 1 268.445 2.203 50 0 CEAAMP COc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1OC ZINC000036379397 814767525 /nfs/dbraw/zinc/76/75/25/814767525.db2.gz LFAOJZMNOFZDDB-UHFFFAOYSA-N 2 1 278.396 2.230 50 0 CEAAMP COc1ccc(CN(C)C2CC[NH+](C)CC2)cc1OC ZINC000036379397 814767528 /nfs/dbraw/zinc/76/75/28/814767528.db2.gz LFAOJZMNOFZDDB-UHFFFAOYSA-N 2 1 278.396 2.230 50 0 CEAAMP Cc1ccc(Cl)cc1N1CC[NH+](CCC[NH3+])CC1 ZINC000032919810 361766604 /nfs/dbraw/zinc/76/66/04/361766604.db2.gz UHOXLIQYMBZNNB-UHFFFAOYSA-N 2 1 267.804 2.119 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)c1 ZINC000225219130 344544783 /nfs/dbraw/zinc/54/47/83/344544783.db2.gz VSRJJXFHIWADOC-HUUCEWRRSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c1 ZINC000225219130 344544784 /nfs/dbraw/zinc/54/47/84/344544784.db2.gz VSRJJXFHIWADOC-HUUCEWRRSA-N 2 1 275.396 2.160 50 0 CEAAMP CCc1noc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056522600 362561198 /nfs/dbraw/zinc/56/11/98/362561198.db2.gz SCJIWXBUPIOIRR-LBPRGKRZSA-N 2 1 280.416 2.357 50 0 CEAAMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2)CC1 ZINC000058323126 362621144 /nfs/dbraw/zinc/62/11/44/362621144.db2.gz JTTQDKQFTVCTQN-UHFFFAOYSA-N 2 1 289.423 2.090 50 0 CEAAMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2)CC1 ZINC000058323126 362621148 /nfs/dbraw/zinc/62/11/48/362621148.db2.gz JTTQDKQFTVCTQN-UHFFFAOYSA-N 2 1 289.423 2.090 50 0 CEAAMP CC[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)C1 ZINC000065376130 362812998 /nfs/dbraw/zinc/81/29/98/362812998.db2.gz ABIUMVGXFXIFEG-OAHLLOKOSA-N 2 1 274.408 2.395 50 0 CEAAMP CC[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](C)C1 ZINC000065376130 362813001 /nfs/dbraw/zinc/81/30/01/362813001.db2.gz ABIUMVGXFXIFEG-OAHLLOKOSA-N 2 1 274.408 2.395 50 0 CEAAMP CC[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](C)C1 ZINC000065376130 362813004 /nfs/dbraw/zinc/81/30/04/362813004.db2.gz ABIUMVGXFXIFEG-OAHLLOKOSA-N 2 1 274.408 2.395 50 0 CEAAMP CCc1cc(N[C@H]2CCC[N@@H+](CC)C2)nc(N(C)C)[nH+]1 ZINC000065407577 362818390 /nfs/dbraw/zinc/81/83/90/362818390.db2.gz LSLKTSICUSXXCH-ZDUSSCGKSA-N 2 1 277.416 2.001 50 0 CEAAMP CCc1cc(N[C@H]2CCC[N@H+](CC)C2)nc(N(C)C)[nH+]1 ZINC000065407577 362818394 /nfs/dbraw/zinc/81/83/94/362818394.db2.gz LSLKTSICUSXXCH-ZDUSSCGKSA-N 2 1 277.416 2.001 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)[nH+]1 ZINC000065568249 362837917 /nfs/dbraw/zinc/83/79/17/362837917.db2.gz KMNKQVSTRNCJBT-GJZGRUSLSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)[nH+]1 ZINC000065568249 362837921 /nfs/dbraw/zinc/83/79/21/362837921.db2.gz KMNKQVSTRNCJBT-GJZGRUSLSA-N 2 1 275.396 2.160 50 0 CEAAMP COCCC[N@@H+]1CC[C@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC000091643853 180214350 /nfs/dbraw/zinc/21/43/50/180214350.db2.gz ULXFYUIDHRQMIP-OAHLLOKOSA-N 2 1 292.427 2.172 50 0 CEAAMP COCCC[N@H+]1CC[C@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC000091643853 180214351 /nfs/dbraw/zinc/21/43/51/180214351.db2.gz ULXFYUIDHRQMIP-OAHLLOKOSA-N 2 1 292.427 2.172 50 0 CEAAMP COCC[NH+]1CCC(CNc2nc(C)[nH+]c(C)c2C)CC1 ZINC000091746521 180245014 /nfs/dbraw/zinc/24/50/14/180245014.db2.gz BAQLTSQUEDFZHD-UHFFFAOYSA-N 2 1 292.427 2.172 50 0 CEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2F)CC1 ZINC000069901488 363013139 /nfs/dbraw/zinc/01/31/39/363013139.db2.gz WNDMFPGSKFEBGQ-CQSZACIVSA-N 2 1 294.414 2.350 50 0 CEAAMP Cc1nnc(CN2CCC[C@@H](Cn3cc[nH+]c3C)C2)s1 ZINC000670453289 540416499 /nfs/dbraw/zinc/41/64/99/540416499.db2.gz JLVWFPRJBFQFNM-CYBMUJFWSA-N 2 1 291.424 2.264 50 0 CEAAMP CC/C=C/CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000184537749 189389068 /nfs/dbraw/zinc/38/90/68/189389068.db2.gz UYAHXAVCWVYYQI-JFDDCEBESA-N 2 1 265.445 2.055 50 0 CEAAMP Cc1cccnc1C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000243902047 370790132 /nfs/dbraw/zinc/79/01/32/370790132.db2.gz BFKRJAZJIHBGCL-UHFFFAOYSA-N 2 1 258.369 2.188 50 0 CEAAMP Cc1cccnc1C[N@H+](C)CCCc1[nH+]ccn1C ZINC000243902047 370790137 /nfs/dbraw/zinc/79/01/37/370790137.db2.gz BFKRJAZJIHBGCL-UHFFFAOYSA-N 2 1 258.369 2.188 50 0 CEAAMP C[N@H+](Cc1ccc(CC[NH3+])cc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000214992509 370171424 /nfs/dbraw/zinc/17/14/24/370171424.db2.gz KMROJHSRSJMDCM-KRWDZBQOSA-N 3 1 289.467 2.350 50 0 CEAAMP C[NH+](Cc1ccc(CC[NH3+])cc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000214992509 370171429 /nfs/dbraw/zinc/17/14/29/370171429.db2.gz KMROJHSRSJMDCM-KRWDZBQOSA-N 3 1 289.467 2.350 50 0 CEAAMP C[NH+](Cc1ccc(CC[NH3+])cc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000214992509 370171433 /nfs/dbraw/zinc/17/14/33/370171433.db2.gz KMROJHSRSJMDCM-KRWDZBQOSA-N 3 1 289.467 2.350 50 0 CEAAMP CN(Cc1ccc(CC[NH3+])cc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000214992509 370171439 /nfs/dbraw/zinc/17/14/39/370171439.db2.gz KMROJHSRSJMDCM-KRWDZBQOSA-N 2 1 289.467 2.350 50 0 CEAAMP CN(Cc1ccc(CC[NH3+])cc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000214992509 370171445 /nfs/dbraw/zinc/17/14/45/370171445.db2.gz KMROJHSRSJMDCM-KRWDZBQOSA-N 2 1 289.467 2.350 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC000215392027 370176613 /nfs/dbraw/zinc/17/66/13/370176613.db2.gz KFLPULWEWFMPDI-AWEZNQCLSA-N 2 1 279.428 2.490 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC000215392027 370176620 /nfs/dbraw/zinc/17/66/20/370176620.db2.gz KFLPULWEWFMPDI-AWEZNQCLSA-N 2 1 279.428 2.490 50 0 CEAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@@H]1C ZINC000230175567 370444100 /nfs/dbraw/zinc/44/41/00/370444100.db2.gz VALKFTSSVGGYAN-GVRJEKJASA-N 2 1 266.429 2.406 50 0 CEAAMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000037051843 394495826 /nfs/dbraw/zinc/49/58/26/394495826.db2.gz IAWFRTUZLYLGNY-OAHLLOKOSA-N 2 1 276.428 2.262 50 0 CEAAMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588820 394554199 /nfs/dbraw/zinc/55/41/99/394554199.db2.gz QWRVWWPTRLVFKE-NVXWUHKLSA-N 2 1 296.455 2.131 50 0 CEAAMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588820 394554201 /nfs/dbraw/zinc/55/42/01/394554201.db2.gz QWRVWWPTRLVFKE-NVXWUHKLSA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588820 394554202 /nfs/dbraw/zinc/55/42/02/394554202.db2.gz QWRVWWPTRLVFKE-NVXWUHKLSA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588820 394554204 /nfs/dbraw/zinc/55/42/04/394554204.db2.gz QWRVWWPTRLVFKE-NVXWUHKLSA-N 2 1 296.455 2.131 50 0 CEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccccc2)CC1 ZINC000069897059 287085884 /nfs/dbraw/zinc/08/58/84/287085884.db2.gz FSCAKATYBFEAIT-MRXNPFEDSA-N 2 1 290.451 2.254 50 0 CEAAMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000020453938 171208065 /nfs/dbraw/zinc/20/80/65/171208065.db2.gz PAPGBXXIOWRPRA-QGZVFWFLSA-N 2 1 276.424 2.384 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245851804 539313172 /nfs/dbraw/zinc/31/31/72/539313172.db2.gz JKTHLONJXAKDEI-QSPRXWTASA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245851804 539313173 /nfs/dbraw/zinc/31/31/73/539313173.db2.gz JKTHLONJXAKDEI-QSPRXWTASA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245851804 539313174 /nfs/dbraw/zinc/31/31/74/539313174.db2.gz JKTHLONJXAKDEI-QSPRXWTASA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245851804 539313175 /nfs/dbraw/zinc/31/31/75/539313175.db2.gz JKTHLONJXAKDEI-QSPRXWTASA-N 2 1 278.440 2.239 50 0 CEAAMP CCc1[nH+]ccn1CCCNc1cc(C(C)C)[nH+]c(N)n1 ZINC000092081404 180319381 /nfs/dbraw/zinc/31/93/81/180319381.db2.gz TXOGUICLBFAVFS-UHFFFAOYSA-N 2 1 288.399 2.443 50 0 CEAAMP O=c1[nH]c2ccccc2cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000078998908 363563944 /nfs/dbraw/zinc/56/39/44/363563944.db2.gz UKMQHQKZWZOXFB-UHFFFAOYSA-N 2 1 297.402 2.245 50 0 CEAAMP Cc1ccccc1NC1=[NH+]C2(CCCC2)NC(=[NH2+])N1 ZINC000002482855 361235240 /nfs/dbraw/zinc/23/52/40/361235240.db2.gz HETKMRDEEDZTLL-UHFFFAOYSA-N 2 1 257.341 2.161 50 0 CEAAMP Cc1cccc(C(C)(C)C)c1OCCOCC[NH2+]CC[NH3+] ZINC000020118589 361580103 /nfs/dbraw/zinc/58/01/03/361580103.db2.gz NJQRRYVPVOYIQX-UHFFFAOYSA-N 2 1 294.439 2.236 50 0 CEAAMP CNC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000089929752 364017012 /nfs/dbraw/zinc/01/70/12/364017012.db2.gz NAKWUZYAOPCRNE-OAHLLOKOSA-N 2 1 295.471 2.099 50 0 CEAAMP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]C2CC[NH+](C)CC2)C1 ZINC000097045701 364430902 /nfs/dbraw/zinc/43/09/02/364430902.db2.gz NRTKPTHAQGEVLC-BBRMVZONSA-N 2 1 268.445 2.248 50 0 CEAAMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc(C)c1 ZINC000097287844 364489526 /nfs/dbraw/zinc/48/95/26/364489526.db2.gz MRCNWJXLUJNCQR-UHFFFAOYSA-N 2 1 250.386 2.053 50 0 CEAAMP CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246275287 370939760 /nfs/dbraw/zinc/93/97/60/370939760.db2.gz BKPORFLQZCBMKX-PMPSAXMXSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246275287 370939763 /nfs/dbraw/zinc/93/97/63/370939763.db2.gz BKPORFLQZCBMKX-PMPSAXMXSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246275287 370939769 /nfs/dbraw/zinc/93/97/69/370939769.db2.gz BKPORFLQZCBMKX-PMPSAXMXSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H]1C ZINC000252512719 371452058 /nfs/dbraw/zinc/45/20/58/371452058.db2.gz VALKFTSSVGGYAN-RBZJEDDUSA-N 2 1 266.429 2.406 50 0 CEAAMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCOC1 ZINC000389065343 375297693 /nfs/dbraw/zinc/29/76/93/375297693.db2.gz VELGPXVQBNNYQQ-KKUMJFAQSA-N 2 1 254.418 2.266 50 0 CEAAMP Fc1ccc(N2CCC([N@@H+]3CCC[NH2+]CC3)CC2)cc1F ZINC000426652019 377427616 /nfs/dbraw/zinc/42/76/16/377427616.db2.gz RDBKNXPWJTVNJO-UHFFFAOYSA-N 2 1 295.377 2.229 50 0 CEAAMP Fc1ccc(N2CCC([N@H+]3CCC[NH2+]CC3)CC2)cc1F ZINC000426652019 377427628 /nfs/dbraw/zinc/42/76/28/377427628.db2.gz RDBKNXPWJTVNJO-UHFFFAOYSA-N 2 1 295.377 2.229 50 0 CEAAMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097307708 394700141 /nfs/dbraw/zinc/70/01/41/394700141.db2.gz WMXGHTXHFQCMME-HNNXBMFYSA-N 2 1 288.370 2.325 50 0 CEAAMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000037267066 173077537 /nfs/dbraw/zinc/07/75/37/173077537.db2.gz PSHBTUNWBIERFH-LBPRGKRZSA-N 2 1 278.396 2.449 50 0 CEAAMP [NH3+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000037390860 173173612 /nfs/dbraw/zinc/17/36/12/173173612.db2.gz MNQYAQYASJFMFK-KRWDZBQOSA-N 2 1 270.376 2.008 50 0 CEAAMP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000077249440 177239694 /nfs/dbraw/zinc/23/96/94/177239694.db2.gz MKTKJNKTYLYVDL-UHFFFAOYSA-N 2 1 299.418 2.444 50 0 CEAAMP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000077249440 177239696 /nfs/dbraw/zinc/23/96/96/177239696.db2.gz MKTKJNKTYLYVDL-UHFFFAOYSA-N 2 1 299.418 2.444 50 0 CEAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426667663 295326589 /nfs/dbraw/zinc/32/65/89/295326589.db2.gz VEJVGFSTGPLBSX-RMHZUWNSSA-N 2 1 289.398 2.074 50 0 CEAAMP CCCCc1nc(NCC[NH2+][C@H]2CCSC2)cc(C)[nH+]1 ZINC000534587240 328315813 /nfs/dbraw/zinc/31/58/13/328315813.db2.gz ZIXDOYYFPPMSQJ-ZDUSSCGKSA-N 2 1 294.468 2.057 50 0 CEAAMP Cc1[nH+]cn(C[C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1C ZINC000089547612 518193598 /nfs/dbraw/zinc/19/35/98/518193598.db2.gz VBPOOVBYYVYBQC-LLVKDONJSA-N 2 1 287.363 2.407 50 0 CEAAMP Cc1csc([C@@H](C)C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000120504342 538850065 /nfs/dbraw/zinc/85/00/65/538850065.db2.gz YQYWWMXIJLMCDF-JTQLQIEISA-N 2 1 253.415 2.239 50 0 CEAAMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](C)CC2)n(C)n1 ZINC000850558363 640834377 /nfs/dbraw/zinc/83/43/77/640834377.db2.gz QUICDJYXYMUBLF-WMLDXEAASA-N 2 1 290.455 2.124 50 0 CEAAMP C[C@@H](CCO)[NH2+]CC1([NH+]2CCCCC2)CCCC1 ZINC000828741547 810839103 /nfs/dbraw/zinc/83/91/03/810839103.db2.gz PEURNKXECVYLAS-AWEZNQCLSA-N 2 1 254.418 2.146 50 0 CEAAMP c1ccc(COCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067654994 362916866 /nfs/dbraw/zinc/91/68/66/362916866.db2.gz GVCGZCAFPLAPAW-KRWDZBQOSA-N 2 1 274.408 2.279 50 0 CEAAMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000067770125 362922535 /nfs/dbraw/zinc/92/25/35/362922535.db2.gz LFWONFCQLOYKKG-CQSZACIVSA-N 2 1 295.471 2.145 50 0 CEAAMP Cc1c[nH+]c(N)nc1NCC1([NH+](C)C)CCCCC1 ZINC000091997413 180303066 /nfs/dbraw/zinc/30/30/66/180303066.db2.gz HPMZBTKULZTLLV-UHFFFAOYSA-N 2 1 263.389 2.044 50 0 CEAAMP COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069776746 362999002 /nfs/dbraw/zinc/99/90/02/362999002.db2.gz WCCBTNAMHJHSQZ-HNNXBMFYSA-N 2 1 282.428 2.138 50 0 CEAAMP COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069776746 362999005 /nfs/dbraw/zinc/99/90/05/362999005.db2.gz WCCBTNAMHJHSQZ-HNNXBMFYSA-N 2 1 282.428 2.138 50 0 CEAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)C2Cc3ccccc3C2)C1 ZINC000670460996 540421330 /nfs/dbraw/zinc/42/13/30/540421330.db2.gz MWXBGKCZVZRYJL-OAHLLOKOSA-N 2 1 288.435 2.054 50 0 CEAAMP COCC[N@H+]1CC[C@H](C[NH+](C)C2Cc3ccccc3C2)C1 ZINC000670460996 540421334 /nfs/dbraw/zinc/42/13/34/540421334.db2.gz MWXBGKCZVZRYJL-OAHLLOKOSA-N 2 1 288.435 2.054 50 0 CEAAMP COCC[NH+]1CC[C@H](C[N@H+](C)C2Cc3ccccc3C2)C1 ZINC000670460996 540421338 /nfs/dbraw/zinc/42/13/38/540421338.db2.gz MWXBGKCZVZRYJL-OAHLLOKOSA-N 2 1 288.435 2.054 50 0 CEAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)C2Cc3ccccc3C2)C1 ZINC000670460996 540421340 /nfs/dbraw/zinc/42/13/40/540421340.db2.gz MWXBGKCZVZRYJL-OAHLLOKOSA-N 2 1 288.435 2.054 50 0 CEAAMP CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1Cl ZINC000010435499 361351017 /nfs/dbraw/zinc/35/10/17/361351017.db2.gz PBBXZWNWXCJJCT-UHFFFAOYSA-N 2 1 256.777 2.438 50 0 CEAAMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000019437904 361536000 /nfs/dbraw/zinc/53/60/00/361536000.db2.gz BRCNNQZJOQCSBM-ZBFHGGJFSA-N 2 1 289.423 2.067 50 0 CEAAMP CC(C)c1cc(N2CC([N@@H+]3CCCC[C@@H]3C)C2)nc(N)[nH+]1 ZINC000095366496 364348228 /nfs/dbraw/zinc/34/82/28/364348228.db2.gz MKGNBHZGVBVCOS-LBPRGKRZSA-N 2 1 289.427 2.245 50 0 CEAAMP CC(C)c1cc(N2CC([N@H+]3CCCC[C@@H]3C)C2)nc(N)[nH+]1 ZINC000095366496 364348230 /nfs/dbraw/zinc/34/82/30/364348230.db2.gz MKGNBHZGVBVCOS-LBPRGKRZSA-N 2 1 289.427 2.245 50 0 CEAAMP Cc1ccc(NC[C@H]2CCN(c3cc(C)[nH+]c(N)n3)C2)[nH+]c1 ZINC000097200950 364476366 /nfs/dbraw/zinc/47/63/66/364476366.db2.gz NKUSSFWTFKTNBI-CYBMUJFWSA-N 2 1 298.394 2.009 50 0 CEAAMP C[N@@H+](CCC[C@H]1CCCO1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244678875 370794065 /nfs/dbraw/zinc/79/40/65/370794065.db2.gz ILQVIZWOWJOPFD-ZNMIVQPWSA-N 2 1 254.418 2.395 50 0 CEAAMP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000242324337 370786803 /nfs/dbraw/zinc/78/68/03/370786803.db2.gz ZAFOUZLNEDKSLR-CABCVRRESA-N 2 1 254.418 2.266 50 0 CEAAMP CCCc1cc(C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)[nH]n1 ZINC000244778581 370799582 /nfs/dbraw/zinc/79/95/82/370799582.db2.gz PTEZFAJDNABAPL-BETUJISGSA-N 2 1 264.417 2.312 50 0 CEAAMP CCCc1cc(C[N@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)n[nH]1 ZINC000244778581 370799586 /nfs/dbraw/zinc/79/95/86/370799586.db2.gz PTEZFAJDNABAPL-BETUJISGSA-N 2 1 264.417 2.312 50 0 CEAAMP CCCc1cc(C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)n[nH]1 ZINC000244778581 370799587 /nfs/dbraw/zinc/79/95/87/370799587.db2.gz PTEZFAJDNABAPL-BETUJISGSA-N 2 1 264.417 2.312 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(O)c1 ZINC000216308606 370185845 /nfs/dbraw/zinc/18/58/45/370185845.db2.gz BSKAREPVTLPKTF-UHFFFAOYSA-N 2 1 259.353 2.190 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(O)c1 ZINC000216308606 370185851 /nfs/dbraw/zinc/18/58/51/370185851.db2.gz BSKAREPVTLPKTF-UHFFFAOYSA-N 2 1 259.353 2.190 50 0 CEAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000253370512 371512041 /nfs/dbraw/zinc/51/20/41/371512041.db2.gz RWOYFWYYKMTVCR-KLHDSHLOSA-N 2 1 268.445 2.369 50 0 CEAAMP Cc1cc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000302294817 379351213 /nfs/dbraw/zinc/35/12/13/379351213.db2.gz LZSSCIJOESEJKY-SFHVURJKSA-N 2 1 297.402 2.221 50 0 CEAAMP C[C@@H](CN1CCCCCC1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000426445436 395075323 /nfs/dbraw/zinc/07/53/23/395075323.db2.gz DFBVWKMNGPRLPA-HNNXBMFYSA-N 2 1 275.440 2.499 50 0 CEAAMP Cc1nc2ccccc2n1CC[NH2+]C1CC[NH+](C)CC1 ZINC000020186605 171050600 /nfs/dbraw/zinc/05/06/00/171050600.db2.gz FQUUZQWIWJODJJ-UHFFFAOYSA-N 2 1 272.396 2.029 50 0 CEAAMP CC[C@H]1CN(Cc2ccc(CC[NH3+])cc2)CC[N@H+]1C(C)C ZINC000072158423 176329539 /nfs/dbraw/zinc/32/95/39/176329539.db2.gz VGSCINGIXQKXQA-SFHVURJKSA-N 2 1 289.467 2.492 50 0 CEAAMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000252536580 276802440 /nfs/dbraw/zinc/80/24/40/276802440.db2.gz IXIYYVNIIYHOBR-OWCLPIDISA-N 2 1 276.424 2.081 50 0 CEAAMP Cc1cc(C)n(-c2ccccc2C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000534647959 328343104 /nfs/dbraw/zinc/34/31/04/328343104.db2.gz DKKZXNKLLABEIY-OAHLLOKOSA-N 2 1 284.407 2.270 50 0 CEAAMP CC(C)[NH+](CCNC(=O)[C@H]1CCCCC[N@H+]1C)C(C)C ZINC000821709928 810571803 /nfs/dbraw/zinc/57/18/03/810571803.db2.gz ZKHAWJNJSQAKIO-OAHLLOKOSA-N 2 1 283.460 2.096 50 0 CEAAMP CC[N@H+]1CCC[C@H](C[NH+](C)CC2(CO)CCCC2)C1 ZINC000823109890 810605655 /nfs/dbraw/zinc/60/56/55/810605655.db2.gz RZUKTHXKQPQKAL-OAHLLOKOSA-N 2 1 268.445 2.203 50 0 CEAAMP CC[NH+]1CCC[C@H](C[N@H+](C)CC2(CO)CCCC2)C1 ZINC000823109890 810605660 /nfs/dbraw/zinc/60/56/60/810605660.db2.gz RZUKTHXKQPQKAL-OAHLLOKOSA-N 2 1 268.445 2.203 50 0 CEAAMP CC[NH+]1CCC[C@H](C[N@@H+](C)CC2(CO)CCCC2)C1 ZINC000823109890 810605664 /nfs/dbraw/zinc/60/56/64/810605664.db2.gz RZUKTHXKQPQKAL-OAHLLOKOSA-N 2 1 268.445 2.203 50 0 CEAAMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000095962566 185044565 /nfs/dbraw/zinc/04/45/65/185044565.db2.gz NGHFUYCRJMOKBD-HNNXBMFYSA-N 2 1 274.408 2.048 50 0 CEAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000584900028 345003116 /nfs/dbraw/zinc/00/31/16/345003116.db2.gz DIFJWRMSNHGSGT-OAHLLOKOSA-N 2 1 271.364 2.449 50 0 CEAAMP CSc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1 ZINC000091550908 180189029 /nfs/dbraw/zinc/18/90/29/180189029.db2.gz CWWQQEVPNSGXQP-HUUCEWRRSA-N 2 1 294.464 2.010 50 0 CEAAMP CSc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1 ZINC000091550908 180189032 /nfs/dbraw/zinc/18/90/32/180189032.db2.gz CWWQQEVPNSGXQP-HUUCEWRRSA-N 2 1 294.464 2.010 50 0 CEAAMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000342234180 216272923 /nfs/dbraw/zinc/27/29/23/216272923.db2.gz TUPWIVPRXBOQSI-SFHVURJKSA-N 2 1 299.418 2.187 50 0 CEAAMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000002641107 361243417 /nfs/dbraw/zinc/24/34/17/361243417.db2.gz SPEVNBMRJHSFCN-UHFFFAOYSA-N 2 1 266.385 2.135 50 0 CEAAMP COCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000002894127 361257675 /nfs/dbraw/zinc/25/76/75/361257675.db2.gz SGIOHOBYJACGHT-UHFFFAOYSA-N 2 1 262.397 2.277 50 0 CEAAMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000087709377 363867515 /nfs/dbraw/zinc/86/75/15/363867515.db2.gz GOEUGNBAHRLKHX-ZIAGYGMSSA-N 2 1 252.402 2.018 50 0 CEAAMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000241795551 370784858 /nfs/dbraw/zinc/78/48/58/370784858.db2.gz SABXMRQJRIUHDE-CVEARBPZSA-N 2 1 276.428 2.106 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@]1(c2ccccc2)CCOC1 ZINC000215068988 370173454 /nfs/dbraw/zinc/17/34/54/370173454.db2.gz YYSOODAKEKZMHX-SFHVURJKSA-N 2 1 299.418 2.482 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@]1(c2ccccc2)CCOC1 ZINC000215068988 370173456 /nfs/dbraw/zinc/17/34/56/370173456.db2.gz YYSOODAKEKZMHX-SFHVURJKSA-N 2 1 299.418 2.482 50 0 CEAAMP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236819336 370634453 /nfs/dbraw/zinc/63/44/53/370634453.db2.gz ZPICMMNOOZSWKT-XHSDSOJGSA-N 2 1 295.471 2.227 50 0 CEAAMP Cc1cc(N(CC[NH+](C)C)C2CCCC2)nc(C)[nH+]1 ZINC000252488094 371444063 /nfs/dbraw/zinc/44/40/63/371444063.db2.gz IJKBWWIRLGZYSS-UHFFFAOYSA-N 2 1 262.401 2.404 50 0 CEAAMP CC[C@H](C)C[N@@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299796630 379143013 /nfs/dbraw/zinc/14/30/13/379143013.db2.gz NHYYMBDKQRJPDO-INIZCTEOSA-N 2 1 295.471 2.053 50 0 CEAAMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1C ZINC000266124186 394659500 /nfs/dbraw/zinc/65/95/00/394659500.db2.gz AXBHVBYWZQNIKJ-HIFRSBDPSA-N 2 1 261.413 2.325 50 0 CEAAMP O[C@]1(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000077485508 177273746 /nfs/dbraw/zinc/27/37/46/177273746.db2.gz COCIFGUQEFGVGK-QGZVFWFLSA-N 2 1 290.382 2.029 50 0 CEAAMP O[C@]1(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000077485508 177273747 /nfs/dbraw/zinc/27/37/47/177273747.db2.gz COCIFGUQEFGVGK-QGZVFWFLSA-N 2 1 290.382 2.029 50 0 CEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccs2)CC1 ZINC000069658987 290085078 /nfs/dbraw/zinc/08/50/78/290085078.db2.gz OFKKQTCKFCUXAN-AWEZNQCLSA-N 2 1 296.480 2.315 50 0 CEAAMP COCC(C)(C)C[NH2+][C@H](C)CCn1cc[nH+]c1C ZINC000534671690 328347686 /nfs/dbraw/zinc/34/76/86/328347686.db2.gz AMRACFIKBMPFMC-GFCCVEGCSA-N 2 1 253.390 2.232 50 0 CEAAMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n(-c2cccnc2)c1 ZINC000067458998 629946772 /nfs/dbraw/zinc/94/67/72/629946772.db2.gz YRDOOJFZJVTEOU-UHFFFAOYSA-N 2 1 296.418 2.448 50 0 CEAAMP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](C)CC2)n(C)n1 ZINC000850558362 640833966 /nfs/dbraw/zinc/83/39/66/640833966.db2.gz QUICDJYXYMUBLF-RHSMWYFYSA-N 2 1 290.455 2.124 50 0 CEAAMP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000821260241 810565829 /nfs/dbraw/zinc/56/58/29/810565829.db2.gz VNBBGGRWARBNFL-AWEZNQCLSA-N 2 1 291.443 2.106 50 0 CEAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000821260241 810565830 /nfs/dbraw/zinc/56/58/30/810565830.db2.gz VNBBGGRWARBNFL-AWEZNQCLSA-N 2 1 291.443 2.106 50 0 CEAAMP c1cc([C@H]2[NH2+]CCc3nc[nH]c32)sc1C[NH+]1CCCC1 ZINC000065370323 362810918 /nfs/dbraw/zinc/81/09/18/362810918.db2.gz NBVQXSBXRHRLRS-OAHLLOKOSA-N 2 1 288.420 2.302 50 0 CEAAMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000065466570 362825977 /nfs/dbraw/zinc/82/59/77/362825977.db2.gz LVKRVVXBUWJPID-UHFFFAOYSA-N 2 1 264.417 2.237 50 0 CEAAMP [NH3+][C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1C1CC1 ZINC000091350889 180137769 /nfs/dbraw/zinc/13/77/69/180137769.db2.gz VGFRIUPBGGHYDT-CVEARBPZSA-N 2 1 260.381 2.125 50 0 CEAAMP [NH3+][C@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1C1CC1 ZINC000091350889 180137770 /nfs/dbraw/zinc/13/77/70/180137770.db2.gz VGFRIUPBGGHYDT-CVEARBPZSA-N 2 1 260.381 2.125 50 0 CEAAMP Cc1[nH+]cn(CC[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000670470283 540427371 /nfs/dbraw/zinc/42/73/71/540427371.db2.gz MWPUOMBGGZDWGD-SFHVURJKSA-N 2 1 298.434 2.364 50 0 CEAAMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237932403 370760503 /nfs/dbraw/zinc/76/05/03/370760503.db2.gz ZEMHYKIKHHUQTI-KRWDZBQOSA-N 2 1 298.434 2.074 50 0 CEAAMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237932403 370760507 /nfs/dbraw/zinc/76/05/07/370760507.db2.gz ZEMHYKIKHHUQTI-KRWDZBQOSA-N 2 1 298.434 2.074 50 0 CEAAMP Cc1ccc([C@@H](O)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000097115671 364458260 /nfs/dbraw/zinc/45/82/60/364458260.db2.gz DFLHAIZUYBINGY-KRWDZBQOSA-N 2 1 285.391 2.279 50 0 CEAAMP CC1=CCC[C@H](C)[C@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104733 364451238 /nfs/dbraw/zinc/45/12/38/364451238.db2.gz UTMAEQSGEWWUJG-RDJZCZTQSA-N 2 1 280.456 2.367 50 0 CEAAMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104733 364451242 /nfs/dbraw/zinc/45/12/42/364451242.db2.gz UTMAEQSGEWWUJG-RDJZCZTQSA-N 2 1 280.456 2.367 50 0 CEAAMP CCn1ccc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000244724020 370798071 /nfs/dbraw/zinc/79/80/71/370798071.db2.gz MMEGECWXFNJQHW-UHFFFAOYSA-N 2 1 299.422 2.319 50 0 CEAAMP CCn1ccc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000244724020 370798076 /nfs/dbraw/zinc/79/80/76/370798076.db2.gz MMEGECWXFNJQHW-UHFFFAOYSA-N 2 1 299.422 2.319 50 0 CEAAMP C[C@@H]1CCC[C@@H](CO)[N@H+]1CCC[NH+]1CCCCC1 ZINC000161963840 367126495 /nfs/dbraw/zinc/12/64/95/367126495.db2.gz XLSNWSFTAMBRKN-CABCVRRESA-N 2 1 254.418 2.098 50 0 CEAAMP CCCn1ccnc1C[NH+]1CCC([C@@H](C)[NH+](C)C)CC1 ZINC000077286298 284132472 /nfs/dbraw/zinc/13/24/72/284132472.db2.gz PBNMLPMCAKEDLK-CQSZACIVSA-N 2 1 278.444 2.455 50 0 CEAAMP C[C@H](C[N@H+]1CCc2ccccc2C1)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426425450 377405921 /nfs/dbraw/zinc/40/59/21/377405921.db2.gz OUMYNFSQKOTMSQ-DQEVTTJGSA-N 2 1 299.462 2.102 50 0 CEAAMP COc1cc(F)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000426563099 377418911 /nfs/dbraw/zinc/41/89/11/377418911.db2.gz JCFSTJBXNJCVPZ-LBPRGKRZSA-N 2 1 266.360 2.395 50 0 CEAAMP C/C1=[NH+]\CC/[NH+]=C/CC(C)(C)[NH2+]CCNC(C)(C)C1 ZINC000068604370 394582667 /nfs/dbraw/zinc/58/26/67/394582667.db2.gz MZFSGQBEVCFESX-SAERGTNASA-N 3 1 266.433 2.048 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000048707866 400207217 /nfs/dbraw/zinc/20/72/17/400207217.db2.gz VRFBXRMPQFEQQV-GFCCVEGCSA-N 2 1 264.417 2.139 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000048707866 400207222 /nfs/dbraw/zinc/20/72/22/400207222.db2.gz VRFBXRMPQFEQQV-GFCCVEGCSA-N 2 1 264.417 2.139 50 0 CEAAMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000004989380 170050163 /nfs/dbraw/zinc/05/01/63/170050163.db2.gz SZIAHHNSFXKJPI-UHFFFAOYSA-N 2 1 276.380 2.379 50 0 CEAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072409603 176398254 /nfs/dbraw/zinc/39/82/54/176398254.db2.gz MQVYOAJQDQCVOE-DZGCQCFKSA-N 2 1 298.390 2.306 50 0 CEAAMP CC[N@H+]1CCc2c(C[NH3+])c(-n3cccc3)sc2C1 ZINC000045795970 276236406 /nfs/dbraw/zinc/23/64/06/276236406.db2.gz SKJSWJSNOKNCDL-UHFFFAOYSA-N 2 1 261.394 2.376 50 0 CEAAMP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n[nH]1 ZINC000067691976 631668203 /nfs/dbraw/zinc/66/82/03/631668203.db2.gz RSFYPWTZYRNZSI-CYBMUJFWSA-N 2 1 278.444 2.359 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H](C)N(C)Cc1cscn1 ZINC000823648995 810620486 /nfs/dbraw/zinc/62/04/86/810620486.db2.gz OPDDOYHSBMQADR-SNVBAGLBSA-N 2 1 250.371 2.169 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584897641 345002071 /nfs/dbraw/zinc/00/20/71/345002071.db2.gz XYGPIGHUBYGPGE-GFCCVEGCSA-N 2 1 258.369 2.382 50 0 CEAAMP c1cc([C@@H]2[NH2+]CCc3nc[nH]c32)sc1C[NH+]1CCCC1 ZINC000065370324 362810395 /nfs/dbraw/zinc/81/03/95/362810395.db2.gz NBVQXSBXRHRLRS-HNNXBMFYSA-N 2 1 288.420 2.302 50 0 CEAAMP Cc1csc([C@H](C)C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000120504434 538849971 /nfs/dbraw/zinc/84/99/71/538849971.db2.gz YQYWWMXIJLMCDF-SNVBAGLBSA-N 2 1 253.415 2.239 50 0 CEAAMP CC(C)CC[N@@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000014888588 361461009 /nfs/dbraw/zinc/46/10/09/361461009.db2.gz WKLKGNQCBBINCS-UHFFFAOYSA-N 2 1 295.471 2.053 50 0 CEAAMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000087709378 363868181 /nfs/dbraw/zinc/86/81/81/363868181.db2.gz GOEUGNBAHRLKHX-KGLIPLIRSA-N 2 1 252.402 2.018 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)c1 ZINC000097200820 364475517 /nfs/dbraw/zinc/47/55/17/364475517.db2.gz YFXVFOVPWXERDY-OAHLLOKOSA-N 2 1 297.406 2.422 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000244718794 370796385 /nfs/dbraw/zinc/79/63/85/370796385.db2.gz LQXUHGZMVPILJP-MRXNPFEDSA-N 2 1 273.380 2.247 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000244718794 370796387 /nfs/dbraw/zinc/79/63/87/370796387.db2.gz LQXUHGZMVPILJP-MRXNPFEDSA-N 2 1 273.380 2.247 50 0 CEAAMP CC(C)C[N@H+]1CCO[C@H](CNc2ccnc(C(C)C)n2)C1 ZINC000171811829 367619063 /nfs/dbraw/zinc/61/90/63/367619063.db2.gz WUBPQQNHPKVUPC-CQSZACIVSA-N 2 1 292.427 2.369 50 0 CEAAMP CC(C)CN1CCO[C@H](CNc2ccnc(C(C)C)n2)C1 ZINC000171811829 367619068 /nfs/dbraw/zinc/61/90/68/367619068.db2.gz WUBPQQNHPKVUPC-CQSZACIVSA-N 2 1 292.427 2.369 50 0 CEAAMP C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230306805 370450983 /nfs/dbraw/zinc/45/09/83/370450983.db2.gz JTPIPHFYWWHHNE-DZOHQFGASA-N 2 1 288.435 2.258 50 0 CEAAMP C[NH+](C)CC(C)(C)C[NH2+]CC(=O)NC1CCCCCCC1 ZINC000058219026 394564491 /nfs/dbraw/zinc/56/44/91/394564491.db2.gz CIVLXCLEDZFYBW-UHFFFAOYSA-N 2 1 297.487 2.393 50 0 CEAAMP CC(C)c1cc(N2CC([N@@H+]3CCCC[C@H]3C)C2)nc(N)[nH+]1 ZINC000095366495 394671872 /nfs/dbraw/zinc/67/18/72/394671872.db2.gz MKGNBHZGVBVCOS-GFCCVEGCSA-N 2 1 289.427 2.245 50 0 CEAAMP CC(C)c1cc(N2CC([N@H+]3CCCC[C@H]3C)C2)nc(N)[nH+]1 ZINC000095366495 394671878 /nfs/dbraw/zinc/67/18/78/394671878.db2.gz MKGNBHZGVBVCOS-GFCCVEGCSA-N 2 1 289.427 2.245 50 0 CEAAMP CC1(C)CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000108115064 400267786 /nfs/dbraw/zinc/26/77/86/400267786.db2.gz SUFMYYOJDFABPR-LSDHHAIUSA-N 2 1 268.445 2.392 50 0 CEAAMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299752809 280272118 /nfs/dbraw/zinc/27/21/18/280272118.db2.gz VNKHRGGRTTZTHI-PMPSAXMXSA-N 2 1 295.471 2.083 50 0 CEAAMP C[NH+](C)C1(CNC(=O)[C@]2(C)CC[N@@H+](C)C2)CCCCCC1 ZINC000534642123 328328882 /nfs/dbraw/zinc/32/88/82/328328882.db2.gz PYDLBNROLCUBAX-MRXNPFEDSA-N 2 1 295.471 2.099 50 0 CEAAMP Cc1nc(CN(C)CC[N@@H+](C)C2CCCC2)n(C)c1C ZINC000952973896 815086746 /nfs/dbraw/zinc/08/67/46/815086746.db2.gz YUXJKXSMABWUAR-UHFFFAOYSA-N 2 1 278.444 2.343 50 0 CEAAMP CC(C)[N@H+]1CCC[C@H](C[NH+](C)CCc2nccn2C)C1 ZINC000823688769 810625182 /nfs/dbraw/zinc/62/51/82/810625182.db2.gz KCBWTGOMCNEGEZ-OAHLLOKOSA-N 2 1 278.444 2.015 50 0 CEAAMP CC(C)[NH+]1CCC[C@H](C[N@H+](C)CCc2nccn2C)C1 ZINC000823688769 810625186 /nfs/dbraw/zinc/62/51/86/810625186.db2.gz KCBWTGOMCNEGEZ-OAHLLOKOSA-N 2 1 278.444 2.015 50 0 CEAAMP CC(C)[NH+]1CCC[C@H](C[N@@H+](C)CCc2nccn2C)C1 ZINC000823688769 810625193 /nfs/dbraw/zinc/62/51/93/810625193.db2.gz KCBWTGOMCNEGEZ-OAHLLOKOSA-N 2 1 278.444 2.015 50 0 CEAAMP O=C(C[NH+]1CCCC1)Nc1ccccc1C[NH+]1CCCC1 ZINC000828075129 810776767 /nfs/dbraw/zinc/77/67/67/810776767.db2.gz OASKABDYTYLNDE-UHFFFAOYSA-N 2 1 287.407 2.317 50 0 CEAAMP O=C1CC[C@H]([NH2+]C2(C[NH+]3CCCC3)CCCCC2)CCN1 ZINC000828305419 810800797 /nfs/dbraw/zinc/80/07/97/810800797.db2.gz MUIFWRCLGWMAIV-HNNXBMFYSA-N 2 1 293.455 2.043 50 0 CEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000584890089 344999845 /nfs/dbraw/zinc/99/98/45/344999845.db2.gz ZEYXYQOVEBPVTE-CYBMUJFWSA-N 2 1 258.369 2.327 50 0 CEAAMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000670444990 540413164 /nfs/dbraw/zinc/41/31/64/540413164.db2.gz QCIKYRMSRHUYDZ-UHFFFAOYSA-N 2 1 257.337 2.305 50 0 CEAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC000670457269 540419142 /nfs/dbraw/zinc/41/91/42/540419142.db2.gz VWAMOOHYBWWTHM-LBPRGKRZSA-N 2 1 297.362 2.420 50 0 CEAAMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000087709375 363867277 /nfs/dbraw/zinc/86/72/77/363867277.db2.gz GOEUGNBAHRLKHX-UONOGXRCSA-N 2 1 252.402 2.018 50 0 CEAAMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH3+])cc2)C[C@H]1C ZINC000090225774 364050643 /nfs/dbraw/zinc/05/06/43/364050643.db2.gz CSSVUAGVDPMDRF-OKILXGFUSA-N 2 1 262.397 2.154 50 0 CEAAMP Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1C ZINC000097080708 364440939 /nfs/dbraw/zinc/44/09/39/364440939.db2.gz ARGXDENCPOKFFN-DZGCQCFKSA-N 2 1 290.455 2.471 50 0 CEAAMP Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1C ZINC000097080708 364440943 /nfs/dbraw/zinc/44/09/43/364440943.db2.gz ARGXDENCPOKFFN-DZGCQCFKSA-N 2 1 290.455 2.471 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ccnn3C)C2)[nH+]1 ZINC000241121842 370781706 /nfs/dbraw/zinc/78/17/06/370781706.db2.gz JEFLTDHHEKWJEF-OAHLLOKOSA-N 2 1 299.422 2.100 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccnn3C)C2)[nH+]1 ZINC000241121842 370781711 /nfs/dbraw/zinc/78/17/11/370781711.db2.gz JEFLTDHHEKWJEF-OAHLLOKOSA-N 2 1 299.422 2.100 50 0 CEAAMP Cc1cnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000097200558 364475312 /nfs/dbraw/zinc/47/53/12/364475312.db2.gz ZWAIRHIGHFXMBK-OAHLLOKOSA-N 2 1 297.406 2.422 50 0 CEAAMP OCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230182835 370443666 /nfs/dbraw/zinc/44/36/66/370443666.db2.gz MMUWRUWNHDGEMC-RCCFBDPRSA-N 2 1 288.435 2.259 50 0 CEAAMP C[NH+]1CCC2(CC[N@H+](C3CSCCSC3)C2)CC1 ZINC000065451940 394574370 /nfs/dbraw/zinc/57/43/70/394574370.db2.gz SLKLICMPNBKTKM-UHFFFAOYSA-N 2 1 286.510 2.253 50 0 CEAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OC ZINC000008253660 170327320 /nfs/dbraw/zinc/32/73/20/170327320.db2.gz CLRVYPFVGUENBK-UHFFFAOYSA-N 2 1 286.803 2.446 50 0 CEAAMP CO[C@H]1C[N@@H+](Cc2cccc3c(C)c(C)[nH]c32)CC[C@H]1[NH3+] ZINC000071758772 176260860 /nfs/dbraw/zinc/26/08/60/176260860.db2.gz IDIOCQWQLYUCNS-CVEARBPZSA-N 2 1 287.407 2.333 50 0 CEAAMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2C)c1 ZINC000078552916 177353634 /nfs/dbraw/zinc/35/36/34/177353634.db2.gz HSITZCRNKOQLGZ-UHFFFAOYSA-N 2 1 272.396 2.460 50 0 CEAAMP CCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996513 361879569 /nfs/dbraw/zinc/87/95/69/361879569.db2.gz XANKROQHDXNCCL-HZPDHXFCSA-N 2 1 265.445 2.077 50 0 CEAAMP c1cn(C[C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)nn1 ZINC000195572096 344522974 /nfs/dbraw/zinc/52/29/74/344522974.db2.gz AVBPVPRUGVUFQD-MRXNPFEDSA-N 2 1 291.443 2.009 50 0 CEAAMP c1cn(C[C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)nn1 ZINC000195572096 344522978 /nfs/dbraw/zinc/52/29/78/344522978.db2.gz AVBPVPRUGVUFQD-MRXNPFEDSA-N 2 1 291.443 2.009 50 0 CEAAMP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000067921198 362931068 /nfs/dbraw/zinc/93/10/68/362931068.db2.gz NXLGCAJRDWTYTM-INIZCTEOSA-N 2 1 259.397 2.220 50 0 CEAAMP CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000067921198 362931073 /nfs/dbraw/zinc/93/10/73/362931073.db2.gz NXLGCAJRDWTYTM-INIZCTEOSA-N 2 1 259.397 2.220 50 0 CEAAMP C[N@@H+](C/C=C/c1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000069869803 363008204 /nfs/dbraw/zinc/00/82/04/363008204.db2.gz SHRLDVWLOHMAAC-VMPITWQZSA-N 2 1 288.435 2.336 50 0 CEAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013733134 361439499 /nfs/dbraw/zinc/43/94/99/361439499.db2.gz ORDOFVIJYPYYOA-UHFFFAOYSA-N 2 1 292.354 2.147 50 0 CEAAMP C[N@H+]1CCCC[C@H]1CCO[C@@H](C[NH3+])Cc1ccccc1 ZINC000014628657 361459368 /nfs/dbraw/zinc/45/93/68/361459368.db2.gz JURREHZWAKPHTH-DLBZAZTESA-N 2 1 276.424 2.447 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000244678939 370794439 /nfs/dbraw/zinc/79/44/39/370794439.db2.gz IMSYZLOAJNOZEO-INIZCTEOSA-N 2 1 287.411 2.333 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000244678939 370794443 /nfs/dbraw/zinc/79/44/43/370794443.db2.gz IMSYZLOAJNOZEO-INIZCTEOSA-N 2 1 287.411 2.333 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2nonc21 ZINC000215133235 370173740 /nfs/dbraw/zinc/17/37/40/370173740.db2.gz SDTOARGPAKWPLC-UHFFFAOYSA-N 2 1 285.351 2.021 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2nonc21 ZINC000215133235 370173745 /nfs/dbraw/zinc/17/37/45/370173745.db2.gz SDTOARGPAKWPLC-UHFFFAOYSA-N 2 1 285.351 2.021 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000215391985 370176548 /nfs/dbraw/zinc/17/65/48/370176548.db2.gz KFLPULWEWFMPDI-CQSZACIVSA-N 2 1 279.428 2.490 50 0 CEAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000215391985 370176552 /nfs/dbraw/zinc/17/65/52/370176552.db2.gz KFLPULWEWFMPDI-CQSZACIVSA-N 2 1 279.428 2.490 50 0 CEAAMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000037408201 173183598 /nfs/dbraw/zinc/18/35/98/173183598.db2.gz NBOBRYRWXPNJNC-CQSZACIVSA-N 2 1 290.407 2.278 50 0 CEAAMP [NH3+]CC[NH2+]CCCCOc1cccc(Br)c1 ZINC000039507323 174169556 /nfs/dbraw/zinc/16/95/56/174169556.db2.gz SKSNKPFBAYHOBL-UHFFFAOYSA-N 2 1 287.201 2.156 50 0 CEAAMP Fc1ccc(N2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072172538 176333889 /nfs/dbraw/zinc/33/38/89/176333889.db2.gz QTRLHDPKOYFIDG-OAHLLOKOSA-N 2 1 291.414 2.337 50 0 CEAAMP C[C@@H]1CCC[N@@H+](CCN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000229401531 287348252 /nfs/dbraw/zinc/34/82/52/287348252.db2.gz YIAUBGKYDGDXLN-IAGOWNOFSA-N 2 1 279.472 2.279 50 0 CEAAMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000408523210 276073920 /nfs/dbraw/zinc/07/39/20/276073920.db2.gz HWEFEHKTPNMFFZ-WBVHZDCISA-N 2 1 294.439 2.295 50 0 CEAAMP Cc1cccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000097163381 278923081 /nfs/dbraw/zinc/92/30/81/278923081.db2.gz OGWWQGQNEXGVJH-MRXNPFEDSA-N 2 1 289.423 2.471 50 0 CEAAMP CN1CCC([NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000019636593 627914810 /nfs/dbraw/zinc/91/48/10/627914810.db2.gz HKQZSGWASXMHDD-VMPITWQZSA-N 2 1 299.462 2.412 50 0 CEAAMP C[NH+]1CCC(N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000019636593 627914816 /nfs/dbraw/zinc/91/48/16/627914816.db2.gz HKQZSGWASXMHDD-VMPITWQZSA-N 2 1 299.462 2.412 50 0 CEAAMP CSc1nc(NCC(C)(C)[NH+]2CCCC2)cc(N)[nH+]1 ZINC000952868115 815071326 /nfs/dbraw/zinc/07/13/26/815071326.db2.gz BTHDMLTZCVARNA-UHFFFAOYSA-N 2 1 281.429 2.067 50 0 CEAAMP CC(C)[NH+](CCNC(=O)[C@@H]1CCCCC[N@H+]1C)C(C)C ZINC000821709921 810572201 /nfs/dbraw/zinc/57/22/01/810572201.db2.gz ZKHAWJNJSQAKIO-HNNXBMFYSA-N 2 1 283.460 2.096 50 0 CEAAMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CC1(CO)CCCC1 ZINC000828686747 810832875 /nfs/dbraw/zinc/83/28/75/810832875.db2.gz KBGJGPCQYKMCRD-OAHLLOKOSA-N 2 1 268.445 2.393 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000095967171 185046709 /nfs/dbraw/zinc/04/67/09/185046709.db2.gz IJQQGSMMULGQFA-NFAWXSAZSA-N 2 1 290.407 2.276 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(F)c2)C1 ZINC000037655360 361919333 /nfs/dbraw/zinc/91/93/33/361919333.db2.gz IYOGUJHKCJAHAI-ZDUSSCGKSA-N 2 1 266.360 2.266 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(F)c2)C1 ZINC000037655360 361919340 /nfs/dbraw/zinc/91/93/40/361919340.db2.gz IYOGUJHKCJAHAI-ZDUSSCGKSA-N 2 1 266.360 2.266 50 0 CEAAMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000065398183 362817368 /nfs/dbraw/zinc/81/73/68/362817368.db2.gz GRIPPXAEOIPCSJ-INIZCTEOSA-N 2 1 274.408 2.277 50 0 CEAAMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n(-c2ccccc2)n1 ZINC000067908550 362931886 /nfs/dbraw/zinc/93/18/86/362931886.db2.gz JXBPCWVPDYOQMC-UHFFFAOYSA-N 2 1 296.418 2.448 50 0 CEAAMP CCc1c[nH+]c(N)nc1NCC[NH+](C(C)C)C(C)C ZINC000091934300 180289263 /nfs/dbraw/zinc/28/92/63/180289263.db2.gz SKTSLMFOPGLKRD-UHFFFAOYSA-N 2 1 265.405 2.152 50 0 CEAAMP Cc1ncn(CC[NH2+][C@H](C)CCn2cc[nH+]c2C)c1C ZINC000670439902 540410510 /nfs/dbraw/zinc/41/05/10/540410510.db2.gz WDCJOJVEKCKBGA-GFCCVEGCSA-N 2 1 275.400 2.073 50 0 CEAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013733137 361439624 /nfs/dbraw/zinc/43/96/24/361439624.db2.gz PKUSXYHUHIKRCU-UHFFFAOYSA-N 2 1 292.354 2.147 50 0 CEAAMP CCCCSc1nc(N2CC[C@H]([NH+](C)C)C2)cc(N)[nH+]1 ZINC000095355046 364343409 /nfs/dbraw/zinc/34/34/09/364343409.db2.gz AEPNABPDJJJJDA-NSHDSACASA-N 2 1 295.456 2.091 50 0 CEAAMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000095420370 364368547 /nfs/dbraw/zinc/36/85/47/364368547.db2.gz MZZAYCRQOBCQLF-JKSUJKDBSA-N 2 1 279.472 2.466 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)c1 ZINC000097200819 364475953 /nfs/dbraw/zinc/47/59/53/364475953.db2.gz YFXVFOVPWXERDY-HNNXBMFYSA-N 2 1 297.406 2.422 50 0 CEAAMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc3nonc32)CC1 ZINC000097393998 364498577 /nfs/dbraw/zinc/49/85/77/364498577.db2.gz YLRAODUYVRUMAH-CYBMUJFWSA-N 2 1 274.368 2.139 50 0 CEAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC000097393998 364498580 /nfs/dbraw/zinc/49/85/80/364498580.db2.gz YLRAODUYVRUMAH-CYBMUJFWSA-N 2 1 274.368 2.139 50 0 CEAAMP Cc1cc(N2CCC[N@@H+](CCCn3cccn3)CC2)cc[nH+]1 ZINC000244633395 370792622 /nfs/dbraw/zinc/79/26/22/370792622.db2.gz GCFAMDWGFHDSGJ-UHFFFAOYSA-N 2 1 299.422 2.189 50 0 CEAAMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000195548195 370139951 /nfs/dbraw/zinc/13/99/51/370139951.db2.gz FWZFCNZYDPMRIS-MSOLQXFVSA-N 2 1 291.483 2.445 50 0 CEAAMP CCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250014032 371374215 /nfs/dbraw/zinc/37/42/15/371374215.db2.gz QFFBGIKSYVYBRU-CVEARBPZSA-N 2 1 265.445 2.077 50 0 CEAAMP Cc1cc(C)cc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)c1 ZINC000426662397 377426680 /nfs/dbraw/zinc/42/66/80/377426680.db2.gz WHRYOKLEGBETSR-MRXNPFEDSA-N 2 1 273.424 2.224 50 0 CEAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426667661 377427500 /nfs/dbraw/zinc/42/75/00/377427500.db2.gz VEJVGFSTGPLBSX-DLTLXFJOSA-N 2 1 289.398 2.074 50 0 CEAAMP C[N@H+](Cc1cccc2cnccc21)C[C@@H]1CC[NH2+]C1 ZINC000072149532 176327010 /nfs/dbraw/zinc/32/70/10/176327010.db2.gz NRVFOUWEMDKYFV-CYBMUJFWSA-N 2 1 255.365 2.276 50 0 CEAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191809954 276324400 /nfs/dbraw/zinc/32/44/00/276324400.db2.gz AXMDIEVHOVCBIF-CABCVRRESA-N 2 1 254.418 2.219 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191809954 276324403 /nfs/dbraw/zinc/32/44/03/276324403.db2.gz AXMDIEVHOVCBIF-CABCVRRESA-N 2 1 254.418 2.219 50 0 CEAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCSc1ccccc1)C2 ZINC000534629958 328328480 /nfs/dbraw/zinc/32/84/80/328328480.db2.gz HLQVDGDOQSSNFG-AGGWBTHJSA-N 2 1 262.422 2.448 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000122052240 528368187 /nfs/dbraw/zinc/36/81/87/528368187.db2.gz MORFSKRFSHHJFC-UONOGXRCSA-N 2 1 292.427 2.125 50 0 CEAAMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH+](C)C)[C@@H](CO)C2)c1 ZINC000581782261 803717163 /nfs/dbraw/zinc/71/71/63/803717163.db2.gz JVWMJJGRIMAUQA-IAGOWNOFSA-N 2 1 276.424 2.048 50 0 CEAAMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH+](C)C)[C@@H](CO)C2)c1 ZINC000581782261 803717169 /nfs/dbraw/zinc/71/71/69/803717169.db2.gz JVWMJJGRIMAUQA-IAGOWNOFSA-N 2 1 276.424 2.048 50 0 CEAAMP Cc1nccn1CCC[NH+](C)C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000823689922 810625598 /nfs/dbraw/zinc/62/55/98/810625598.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 2 1 278.444 2.244 50 0 CEAAMP Cc1nccn1CCC[N@@H+](C)C[C@@H]1CC[NH+](C(C)C)C1 ZINC000823689922 810625604 /nfs/dbraw/zinc/62/56/04/810625604.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 2 1 278.444 2.244 50 0 CEAAMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CC[NH+](C(C)C)C1 ZINC000823689922 810625609 /nfs/dbraw/zinc/62/56/09/810625609.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 2 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000823689922 810625614 /nfs/dbraw/zinc/62/56/14/810625614.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 3 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000823689922 810625618 /nfs/dbraw/zinc/62/56/18/810625618.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 3 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[NH+](C(C)C)C1 ZINC000823689922 810625621 /nfs/dbraw/zinc/62/56/21/810625621.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 3 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[NH+](C(C)C)C1 ZINC000823689922 810625626 /nfs/dbraw/zinc/62/56/26/810625626.db2.gz GJKHWDOREIDBIO-INIZCTEOSA-N 3 1 278.444 2.244 50 0 CEAAMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2c(c1)OCCO2 ZINC000037648896 361917780 /nfs/dbraw/zinc/91/77/80/361917780.db2.gz FROLEGYEPVKAOD-CYBMUJFWSA-N 2 1 288.391 2.032 50 0 CEAAMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2c(c1)OCCO2 ZINC000037648896 361917784 /nfs/dbraw/zinc/91/77/84/361917784.db2.gz FROLEGYEPVKAOD-CYBMUJFWSA-N 2 1 288.391 2.032 50 0 CEAAMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090846706 344144227 /nfs/dbraw/zinc/14/42/27/344144227.db2.gz KRVUXSIRONEJNX-JKSUJKDBSA-N 2 1 259.397 2.149 50 0 CEAAMP CCC[N@@H+]1CCCN(Cc2c[nH+]ccc2N(C)C)CC1 ZINC000097376981 344244913 /nfs/dbraw/zinc/24/49/13/344244913.db2.gz IPVSPWRNDQNAOM-UHFFFAOYSA-N 2 1 276.428 2.065 50 0 CEAAMP CCC[N@H+]1CCCN(Cc2c[nH+]ccc2N(C)C)CC1 ZINC000097376981 344244915 /nfs/dbraw/zinc/24/49/15/344244915.db2.gz IPVSPWRNDQNAOM-UHFFFAOYSA-N 2 1 276.428 2.065 50 0 CEAAMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000156877732 344444262 /nfs/dbraw/zinc/44/42/62/344444262.db2.gz SGUOQNZRPAFXRP-MRXNPFEDSA-N 2 1 296.455 2.382 50 0 CEAAMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000156877732 344444263 /nfs/dbraw/zinc/44/42/63/344444263.db2.gz SGUOQNZRPAFXRP-MRXNPFEDSA-N 2 1 296.455 2.382 50 0 CEAAMP [NH3+]C[C@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000065394224 362815548 /nfs/dbraw/zinc/81/55/48/362815548.db2.gz QKTIUCJUIBIMQC-GFCCVEGCSA-N 2 1 290.798 2.306 50 0 CEAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000065394224 362815551 /nfs/dbraw/zinc/81/55/51/362815551.db2.gz QKTIUCJUIBIMQC-GFCCVEGCSA-N 2 1 290.798 2.306 50 0 CEAAMP COC[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091861641 180275579 /nfs/dbraw/zinc/27/55/79/180275579.db2.gz OXRKMZJQATZKHQ-INIZCTEOSA-N 2 1 292.423 2.238 50 0 CEAAMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122805502 187052431 /nfs/dbraw/zinc/05/24/31/187052431.db2.gz MTROPHONBWNQGK-KGLIPLIRSA-N 2 1 297.443 2.116 50 0 CEAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000077438015 363547220 /nfs/dbraw/zinc/54/72/20/363547220.db2.gz GPCVIHUYTQLWEF-SFHVURJKSA-N 2 1 288.435 2.152 50 0 CEAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000077438015 363547224 /nfs/dbraw/zinc/54/72/24/363547224.db2.gz GPCVIHUYTQLWEF-SFHVURJKSA-N 2 1 288.435 2.152 50 0 CEAAMP CCC[N@@H+](C[C@@H]1CCCO1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244872918 283280254 /nfs/dbraw/zinc/28/02/54/283280254.db2.gz WGXDIBNBNWNQRM-ZNMIVQPWSA-N 2 1 254.418 2.395 50 0 CEAAMP C[NH+](C)CCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013736665 361439935 /nfs/dbraw/zinc/43/99/35/361439935.db2.gz QZHTXQPOOPLBNO-UHFFFAOYSA-N 2 1 286.379 2.310 50 0 CEAAMP CCOC(=O)N1CCC([N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000095457120 364385145 /nfs/dbraw/zinc/38/51/45/364385145.db2.gz BDFCTEXMTHLDGN-HIFRSBDPSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000095457120 364385152 /nfs/dbraw/zinc/38/51/52/364385152.db2.gz BDFCTEXMTHLDGN-HIFRSBDPSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000095457120 364385161 /nfs/dbraw/zinc/38/51/61/364385161.db2.gz BDFCTEXMTHLDGN-HIFRSBDPSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000095457120 364385165 /nfs/dbraw/zinc/38/51/65/364385165.db2.gz BDFCTEXMTHLDGN-HIFRSBDPSA-N 2 1 297.443 2.022 50 0 CEAAMP C[C@@H]1CCCC[C@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372989 364494074 /nfs/dbraw/zinc/49/40/74/364494074.db2.gz FCPFSALMODXKOU-CABCVRRESA-N 2 1 268.445 2.201 50 0 CEAAMP C[C@@H]1CCCC[C@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372989 364494083 /nfs/dbraw/zinc/49/40/83/364494083.db2.gz FCPFSALMODXKOU-CABCVRRESA-N 2 1 268.445 2.201 50 0 CEAAMP CN(CC[N@@H+](C)CC1CC[NH2+]CC1)c1ccccc1 ZINC000178981042 368317976 /nfs/dbraw/zinc/31/79/76/368317976.db2.gz BTFODMOIEBVPPB-UHFFFAOYSA-N 2 1 261.413 2.054 50 0 CEAAMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000095967718 296123230 /nfs/dbraw/zinc/12/32/30/296123230.db2.gz JAVXZACNEAHNIN-CQSZACIVSA-N 2 1 255.450 2.038 50 0 CEAAMP CCCn1ccnc1C[NH+]1CCC([C@H](C)[NH+](C)C)CC1 ZINC000077286301 284132457 /nfs/dbraw/zinc/13/24/57/284132457.db2.gz PBNMLPMCAKEDLK-AWEZNQCLSA-N 2 1 278.444 2.455 50 0 CEAAMP CCc1ccc(C[N@H+](C)CCCC[NH+]2CCOCC2)o1 ZINC000215821431 370181194 /nfs/dbraw/zinc/18/11/94/370181194.db2.gz DPRDZRXALZBWEP-UHFFFAOYSA-N 2 1 280.412 2.386 50 0 CEAAMP CCc1ccc(C[N@@H+](C)CCCC[NH+]2CCOCC2)o1 ZINC000215821431 370181199 /nfs/dbraw/zinc/18/11/99/370181199.db2.gz DPRDZRXALZBWEP-UHFFFAOYSA-N 2 1 280.412 2.386 50 0 CEAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248949206 371273394 /nfs/dbraw/zinc/27/33/94/371273394.db2.gz AXMDIEVHOVCBIF-GJZGRUSLSA-N 2 1 254.418 2.219 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248949206 371273400 /nfs/dbraw/zinc/27/34/00/371273400.db2.gz AXMDIEVHOVCBIF-GJZGRUSLSA-N 2 1 254.418 2.219 50 0 CEAAMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000087709376 394645793 /nfs/dbraw/zinc/64/57/93/394645793.db2.gz GOEUGNBAHRLKHX-KBPBESRZSA-N 2 1 252.402 2.018 50 0 CEAAMP CCOCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000096421151 394687369 /nfs/dbraw/zinc/68/73/69/394687369.db2.gz PSHPAKRFUKETGP-UHFFFAOYSA-N 2 1 263.385 2.303 50 0 CEAAMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000048331213 400193912 /nfs/dbraw/zinc/19/39/12/400193912.db2.gz YDMJBOZCEMTKMY-HNNXBMFYSA-N 2 1 298.377 2.462 50 0 CEAAMP C[N@H+](Cc1cccc(Cl)c1)CC1CC[NH+](CCO)CC1 ZINC000071871535 176283800 /nfs/dbraw/zinc/28/38/00/176283800.db2.gz YOQICAOPVMTDIX-UHFFFAOYSA-N 2 1 296.842 2.476 50 0 CEAAMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)co1 ZINC000072169148 176332382 /nfs/dbraw/zinc/33/23/82/176332382.db2.gz FSRCPRBAQDHKSU-UHFFFAOYSA-N 2 1 286.379 2.399 50 0 CEAAMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)co1 ZINC000072169148 176332384 /nfs/dbraw/zinc/33/23/84/176332384.db2.gz FSRCPRBAQDHKSU-UHFFFAOYSA-N 2 1 286.379 2.399 50 0 CEAAMP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC000431911884 271463227 /nfs/dbraw/zinc/46/32/27/271463227.db2.gz GDMYDLIVYKGJEA-HNNXBMFYSA-N 2 1 295.471 2.242 50 0 CEAAMP CC(C)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000952966649 614324744 /nfs/dbraw/zinc/32/47/44/614324744.db2.gz VZKXWHXDLJLQIZ-INIZCTEOSA-N 2 1 295.471 2.096 50 0 CEAAMP CC[N@H+]1CCC[C@H](C[NH+](C)CCC2(O)CCCC2)C1 ZINC000823109916 810605838 /nfs/dbraw/zinc/60/58/38/810605838.db2.gz ZRDUBHUPKCENTI-OAHLLOKOSA-N 2 1 268.445 2.345 50 0 CEAAMP CC[NH+]1CCC[C@H](C[N@H+](C)CCC2(O)CCCC2)C1 ZINC000823109916 810605843 /nfs/dbraw/zinc/60/58/43/810605843.db2.gz ZRDUBHUPKCENTI-OAHLLOKOSA-N 2 1 268.445 2.345 50 0 CEAAMP CC[NH+]1CCC[C@H](C[N@@H+](C)CCC2(O)CCCC2)C1 ZINC000823109916 810605847 /nfs/dbraw/zinc/60/58/47/810605847.db2.gz ZRDUBHUPKCENTI-OAHLLOKOSA-N 2 1 268.445 2.345 50 0 CEAAMP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC2(O)CCCC2)C1 ZINC000823109915 810606126 /nfs/dbraw/zinc/60/61/26/810606126.db2.gz ZRDUBHUPKCENTI-HNNXBMFYSA-N 2 1 268.445 2.345 50 0 CEAAMP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC2(O)CCCC2)C1 ZINC000823109915 810606134 /nfs/dbraw/zinc/60/61/34/810606134.db2.gz ZRDUBHUPKCENTI-HNNXBMFYSA-N 2 1 268.445 2.345 50 0 CEAAMP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC2(O)CCCC2)C1 ZINC000823109915 810606141 /nfs/dbraw/zinc/60/61/41/810606141.db2.gz ZRDUBHUPKCENTI-HNNXBMFYSA-N 2 1 268.445 2.345 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000095967172 185046565 /nfs/dbraw/zinc/04/65/65/185046565.db2.gz IJQQGSMMULGQFA-IPYPFGDCSA-N 2 1 290.407 2.276 50 0 CEAAMP Cc1nc2c(c(=O)[nH]1)C[N@H+](C1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000584892849 345000145 /nfs/dbraw/zinc/00/01/45/345000145.db2.gz PMMXKAUZKAAEAH-UHFFFAOYSA-N 2 1 290.411 2.115 50 0 CEAAMP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000054104324 362512235 /nfs/dbraw/zinc/51/22/35/362512235.db2.gz DSODXAFZDNWCCQ-UHFFFAOYSA-N 2 1 297.406 2.080 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091914595 180285794 /nfs/dbraw/zinc/28/57/94/180285794.db2.gz MVNVMFAIMDYIRT-KRWDZBQOSA-N 2 1 291.439 2.456 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091914595 180285796 /nfs/dbraw/zinc/28/57/96/180285796.db2.gz MVNVMFAIMDYIRT-KRWDZBQOSA-N 2 1 291.439 2.456 50 0 CEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccccc2)CC1 ZINC000069897057 363012147 /nfs/dbraw/zinc/01/21/47/363012147.db2.gz FSCAKATYBFEAIT-INIZCTEOSA-N 2 1 290.451 2.254 50 0 CEAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000670436554 540408661 /nfs/dbraw/zinc/40/86/61/540408661.db2.gz BIHVLPWVFIQPHE-LBPRGKRZSA-N 2 1 291.424 2.142 50 0 CEAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000670436554 540408662 /nfs/dbraw/zinc/40/86/62/540408662.db2.gz BIHVLPWVFIQPHE-LBPRGKRZSA-N 2 1 291.424 2.142 50 0 CEAAMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079702 367376262 /nfs/dbraw/zinc/37/62/62/367376262.db2.gz ZUHWDFAWWHHZAP-RISCZKNCSA-N 2 1 268.788 2.057 50 0 CEAAMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079702 367376267 /nfs/dbraw/zinc/37/62/67/367376267.db2.gz ZUHWDFAWWHHZAP-RISCZKNCSA-N 2 1 268.788 2.057 50 0 CEAAMP Cc1nc(CC[N@H+](C)CCn2cc[nH+]c2C)cs1 ZINC000252500590 371448471 /nfs/dbraw/zinc/44/84/71/371448471.db2.gz SYPNGFMTZBZNRW-UHFFFAOYSA-N 2 1 264.398 2.131 50 0 CEAAMP Cc1nc(CC[N@@H+](C)CCn2cc[nH+]c2C)cs1 ZINC000252500590 371448477 /nfs/dbraw/zinc/44/84/77/371448477.db2.gz SYPNGFMTZBZNRW-UHFFFAOYSA-N 2 1 264.398 2.131 50 0 CEAAMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@H]2CCOC2)C1 ZINC000252551080 371455498 /nfs/dbraw/zinc/45/54/98/371455498.db2.gz TYSUYCOQFBRQPO-OAGGEKHMSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@H]2CCOC2)C1 ZINC000252551080 371455502 /nfs/dbraw/zinc/45/55/02/371455502.db2.gz TYSUYCOQFBRQPO-OAGGEKHMSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000252551080 371455506 /nfs/dbraw/zinc/45/55/06/371455506.db2.gz TYSUYCOQFBRQPO-OAGGEKHMSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 ZINC000252551080 371455512 /nfs/dbraw/zinc/45/55/12/371455512.db2.gz TYSUYCOQFBRQPO-OAGGEKHMSA-N 2 1 266.429 2.362 50 0 CEAAMP c1nn([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934598 371776480 /nfs/dbraw/zinc/77/64/80/371776480.db2.gz LWXZNQOUNMFKNE-GDBMZVCRSA-N 2 1 284.407 2.283 50 0 CEAAMP Cc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)nc(C)[nH+]1 ZINC000657208364 414802579 /nfs/dbraw/zinc/80/25/79/414802579.db2.gz HRWQJBZSBWRTGN-UHFFFAOYSA-N 2 1 299.422 2.447 50 0 CEAAMP Cc1cc(N(C)CCC[N@@H+](C)Cc2ccncc2)nc(C)[nH+]1 ZINC000657208364 414802584 /nfs/dbraw/zinc/80/25/84/414802584.db2.gz HRWQJBZSBWRTGN-UHFFFAOYSA-N 2 1 299.422 2.447 50 0 CEAAMP Brc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000019721517 273475347 /nfs/dbraw/zinc/47/53/47/273475347.db2.gz BBICIXDOMKPLKH-UHFFFAOYSA-N 2 1 292.180 2.407 50 0 CEAAMP CC/C=C\CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000547343429 298363647 /nfs/dbraw/zinc/36/36/47/298363647.db2.gz UYAHXAVCWVYYQI-OGZRUICASA-N 2 1 265.445 2.055 50 0 CEAAMP CC(C)(O)[C@H]1CC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000820774056 810558257 /nfs/dbraw/zinc/55/82/57/810558257.db2.gz YVFISSSDQAWEHI-AWEZNQCLSA-N 2 1 280.456 2.486 50 0 CEAAMP CCc1nccn1C[C@H](C)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823557068 810620121 /nfs/dbraw/zinc/62/01/21/810620121.db2.gz ASNUZUKCVXKPDA-HNNXBMFYSA-N 3 1 290.455 2.252 50 0 CEAAMP COC(C)(C)C[C@H](C)[NH2+]CCn1c[nH+]c(C)c1C ZINC000824250071 810697197 /nfs/dbraw/zinc/69/71/97/810697197.db2.gz CYLWDEKKXLTZKR-NSHDSACASA-N 2 1 253.390 2.293 50 0 CEAAMP C[N@H+]1CCCC[C@H]1CCO[C@H](C[NH3+])Cc1ccccc1 ZINC000037102971 361896239 /nfs/dbraw/zinc/89/62/39/361896239.db2.gz JURREHZWAKPHTH-IRXDYDNUSA-N 2 1 276.424 2.447 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCC1(O)CCCC1 ZINC000584890740 344999474 /nfs/dbraw/zinc/99/94/74/344999474.db2.gz AVPZLGVAIZPCIN-ZDUSSCGKSA-N 2 1 265.401 2.255 50 0 CEAAMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCCCCC2)C1 ZINC000067816945 362926656 /nfs/dbraw/zinc/92/66/56/362926656.db2.gz KSCGHTWERDBIQF-MRXNPFEDSA-N 2 1 295.471 2.099 50 0 CEAAMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCCCCC2)C1 ZINC000067816955 362927436 /nfs/dbraw/zinc/92/74/36/362927436.db2.gz KSCGHTWERDBIQF-INIZCTEOSA-N 2 1 295.471 2.099 50 0 CEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2F)CC1 ZINC000069901487 363014149 /nfs/dbraw/zinc/01/41/49/363014149.db2.gz WNDMFPGSKFEBGQ-AWEZNQCLSA-N 2 1 294.414 2.350 50 0 CEAAMP CC[NH+](CC)C[C@H]1CCCN1C(=O)[C@H]1CCCCC[N@H+]1C ZINC000019147695 361521240 /nfs/dbraw/zinc/52/12/40/361521240.db2.gz PASKCXXWPATECB-HZPDHXFCSA-N 2 1 295.471 2.194 50 0 CEAAMP CCOC(=O)N1CCC([N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000095457119 364384937 /nfs/dbraw/zinc/38/49/37/364384937.db2.gz BDFCTEXMTHLDGN-UKRRQHHQSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000095457119 364384945 /nfs/dbraw/zinc/38/49/45/364384945.db2.gz BDFCTEXMTHLDGN-UKRRQHHQSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000095457119 364384950 /nfs/dbraw/zinc/38/49/50/364384950.db2.gz BDFCTEXMTHLDGN-UKRRQHHQSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000095457119 364384956 /nfs/dbraw/zinc/38/49/56/364384956.db2.gz BDFCTEXMTHLDGN-UKRRQHHQSA-N 2 1 297.443 2.022 50 0 CEAAMP Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1C ZINC000097080709 364440715 /nfs/dbraw/zinc/44/07/15/364440715.db2.gz ARGXDENCPOKFFN-UKRRQHHQSA-N 2 1 290.455 2.471 50 0 CEAAMP Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1C ZINC000097080709 364440716 /nfs/dbraw/zinc/44/07/16/364440716.db2.gz ARGXDENCPOKFFN-UKRRQHHQSA-N 2 1 290.455 2.471 50 0 CEAAMP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C2CC[NH+](C)CC2)C1 ZINC000097045700 364430429 /nfs/dbraw/zinc/43/04/29/364430429.db2.gz NRTKPTHAQGEVLC-CJNGLKHVSA-N 2 1 268.445 2.248 50 0 CEAAMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000097717210 364516215 /nfs/dbraw/zinc/51/62/15/364516215.db2.gz YZQAHRCAXYXWTM-INIZCTEOSA-N 2 1 299.418 2.255 50 0 CEAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000097717210 364516223 /nfs/dbraw/zinc/51/62/23/364516223.db2.gz YZQAHRCAXYXWTM-INIZCTEOSA-N 2 1 299.418 2.255 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@H]1[C@H]23 ZINC000106536555 364705872 /nfs/dbraw/zinc/70/58/72/364705872.db2.gz OWCMWMIGCIAINN-IVSAIRAKSA-N 2 1 294.439 2.182 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@H]1[C@H]23 ZINC000106536555 364705877 /nfs/dbraw/zinc/70/58/77/364705877.db2.gz OWCMWMIGCIAINN-IVSAIRAKSA-N 2 1 294.439 2.182 50 0 CEAAMP COCC[N@H+](Cc1[nH]cnc1C)Cc1ccc(OC)cc1 ZINC000244816935 370800852 /nfs/dbraw/zinc/80/08/52/370800852.db2.gz SRJKWHWVNYGTSV-UHFFFAOYSA-N 2 1 289.379 2.375 50 0 CEAAMP CS[C@H](C)CC[N@H+](C)CCCc1[nH+]ccn1C ZINC000215001619 370171967 /nfs/dbraw/zinc/17/19/67/370171967.db2.gz HPORIOMWFWEPTJ-GFCCVEGCSA-N 2 1 255.431 2.426 50 0 CEAAMP CS[C@H](C)CC[N@@H+](C)CCCc1[nH+]ccn1C ZINC000215001619 370171970 /nfs/dbraw/zinc/17/19/70/370171970.db2.gz HPORIOMWFWEPTJ-GFCCVEGCSA-N 2 1 255.431 2.426 50 0 CEAAMP C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195557210 370141064 /nfs/dbraw/zinc/14/10/64/370141064.db2.gz JTPIPHFYWWHHNE-XOYOTBSWSA-N 2 1 288.435 2.258 50 0 CEAAMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250510932 371385367 /nfs/dbraw/zinc/38/53/67/371385367.db2.gz OVKHQJWGMBCAQB-CVEARBPZSA-N 2 1 265.445 2.076 50 0 CEAAMP C1CSC[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC000257670874 371615207 /nfs/dbraw/zinc/61/52/07/371615207.db2.gz DSZMOIQQFOTQEA-CYBMUJFWSA-N 2 1 254.443 2.348 50 0 CEAAMP c1nn([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934601 371777910 /nfs/dbraw/zinc/77/79/10/371777910.db2.gz LWXZNQOUNMFKNE-HOCLYGCPSA-N 2 1 284.407 2.283 50 0 CEAAMP OC[C@]12CCC[NH2+][C@@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC000072169557 176332163 /nfs/dbraw/zinc/33/21/63/176332163.db2.gz HVGGCCJXQUACAT-QZTJIDSGSA-N 2 1 288.435 2.056 50 0 CEAAMP CCn1ncc(C[NH2+][C@H](C)CCn2cc[nH+]c2C)c1C ZINC000534574492 328309528 /nfs/dbraw/zinc/30/95/28/328309528.db2.gz AMOPVYZHOUXPGZ-GFCCVEGCSA-N 2 1 275.400 2.285 50 0 CEAAMP c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)n[nH]1 ZINC000067769487 631727397 /nfs/dbraw/zinc/72/73/97/631727397.db2.gz FQPOJUHFOLCTGD-INIZCTEOSA-N 2 1 286.379 2.245 50 0 CEAAMP c1cc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)n[nH]1 ZINC000067769487 631727403 /nfs/dbraw/zinc/72/74/03/631727403.db2.gz FQPOJUHFOLCTGD-INIZCTEOSA-N 2 1 286.379 2.245 50 0 CEAAMP C[N@@H+](CCO)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012612996 643650703 /nfs/dbraw/zinc/65/07/03/643650703.db2.gz JFANOHIRQGOTOQ-UHFFFAOYSA-N 2 1 294.414 2.004 50 0 CEAAMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000952860694 815071817 /nfs/dbraw/zinc/07/18/17/815071817.db2.gz RUVAHTICLPZJOA-KKUMJFAQSA-N 2 1 254.418 2.144 50 0 CEAAMP CCOc1ccc(C[NH2+][C@@H](CO)CC[NH+](CC)CC)cc1 ZINC000585118289 813684504 /nfs/dbraw/zinc/68/45/04/813684504.db2.gz JEYKRZFJWAYSFK-MRXNPFEDSA-N 2 1 294.439 2.268 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000245851792 539313060 /nfs/dbraw/zinc/31/30/60/539313060.db2.gz JKTHLONJXAKDEI-BSWAZPDLSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000245851792 539313062 /nfs/dbraw/zinc/31/30/62/539313062.db2.gz JKTHLONJXAKDEI-BSWAZPDLSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000245851792 539313063 /nfs/dbraw/zinc/31/30/63/539313063.db2.gz JKTHLONJXAKDEI-BSWAZPDLSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000245851792 539313065 /nfs/dbraw/zinc/31/30/65/539313065.db2.gz JKTHLONJXAKDEI-BSWAZPDLSA-N 2 1 278.440 2.239 50 0 CEAAMP CC(C)C[N@H+]1CCC[C@H](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000067723031 362921221 /nfs/dbraw/zinc/92/12/21/362921221.db2.gz KBGLJDQGIPFZFE-OAHLLOKOSA-N 2 1 295.471 2.132 50 0 CEAAMP Cn1c2ccccc2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067867343 362928099 /nfs/dbraw/zinc/92/80/99/362928099.db2.gz LICMHVYHKKEEBD-UHFFFAOYSA-N 2 1 284.407 2.149 50 0 CEAAMP COC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000003683672 361288567 /nfs/dbraw/zinc/28/85/67/361288567.db2.gz RXMUMJWZFLIZJB-AWEZNQCLSA-N 2 1 262.397 2.276 50 0 CEAAMP [NH3+]C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941923 361499668 /nfs/dbraw/zinc/49/96/68/361499668.db2.gz MGIDJIAQVXHRBE-KRWDZBQOSA-N 2 1 287.451 2.322 50 0 CEAAMP [NH3+]C[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941923 361499671 /nfs/dbraw/zinc/49/96/71/361499671.db2.gz MGIDJIAQVXHRBE-KRWDZBQOSA-N 2 1 287.451 2.322 50 0 CEAAMP CCc1[nH+]ccn1CCN(C)CC[N@H+](C)C1CCCC1 ZINC000243893170 370790084 /nfs/dbraw/zinc/79/00/84/370790084.db2.gz AOTRBUSQNPNDJK-UHFFFAOYSA-N 2 1 278.444 2.252 50 0 CEAAMP CCc1[nH+]ccn1CCN(C)CC[N@@H+](C)C1CCCC1 ZINC000243893170 370790088 /nfs/dbraw/zinc/79/00/88/370790088.db2.gz AOTRBUSQNPNDJK-UHFFFAOYSA-N 2 1 278.444 2.252 50 0 CEAAMP CC[N@H+]1CC[C@@H](CN(C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858590 370801637 /nfs/dbraw/zinc/80/16/37/370801637.db2.gz VNZBYOJNNFQDQJ-LBPRGKRZSA-N 2 1 290.386 2.476 50 0 CEAAMP Cc1nnsc1CN(C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000252491604 371445739 /nfs/dbraw/zinc/44/57/39/371445739.db2.gz LOKZSZQSJFTIJP-NSHDSACASA-N 2 1 268.430 2.009 50 0 CEAAMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000000221149 169579296 /nfs/dbraw/zinc/57/92/96/169579296.db2.gz LVNOGODKWOLGQG-KRWDZBQOSA-N 2 1 274.408 2.420 50 0 CEAAMP CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000079092801 394629816 /nfs/dbraw/zinc/62/98/16/394629816.db2.gz MCGXQCOGJLBSMY-CABCVRRESA-N 2 1 297.487 2.199 50 0 CEAAMP Fc1ccc(C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000071721688 176252897 /nfs/dbraw/zinc/25/28/97/176252897.db2.gz BYBNJERFQJJPNS-QGZVFWFLSA-N 2 1 292.398 2.069 50 0 CEAAMP CC[C@@H]1CN(Cc2cccc(CC[NH3+])c2)CC[N@H+]1C(C)C ZINC000072154903 176328917 /nfs/dbraw/zinc/32/89/17/176328917.db2.gz KOKADVSBSBDRIL-GOSISDBHSA-N 2 1 289.467 2.492 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000170612341 279096035 /nfs/dbraw/zinc/09/60/35/279096035.db2.gz MWBWHADSTWGLBP-HZPDHXFCSA-N 2 1 268.445 2.345 50 0 CEAAMP CC/C=C\CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000547343428 298363701 /nfs/dbraw/zinc/36/37/01/298363701.db2.gz UYAHXAVCWVYYQI-KJPDOMRESA-N 2 1 265.445 2.055 50 0 CEAAMP NCC[NH2+]CCOc1ccc(OCc2ccccc2)cc1 ZINC000020118477 627939208 /nfs/dbraw/zinc/93/92/08/627939208.db2.gz ALKYYNYVBHLXEK-UHFFFAOYSA-N 2 1 286.375 2.193 50 0 CEAAMP [NH3+]CC[NH2+]CCOc1ccc(OCc2ccccc2)cc1 ZINC000020118477 627939212 /nfs/dbraw/zinc/93/92/12/627939212.db2.gz ALKYYNYVBHLXEK-UHFFFAOYSA-N 2 1 286.375 2.193 50 0 CEAAMP Cc1[nH+]ccn1[C@H](C)C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000426362096 804799884 /nfs/dbraw/zinc/79/98/84/804799884.db2.gz WAPMCMPFVHRNSK-CYBMUJFWSA-N 2 1 292.427 2.085 50 0 CEAAMP Cc1[nH+]ccn1[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000426362096 804799890 /nfs/dbraw/zinc/79/98/90/804799890.db2.gz WAPMCMPFVHRNSK-CYBMUJFWSA-N 2 1 292.427 2.085 50 0 CEAAMP CNc1cc[nH+]c(NCCC2CC[NH+](C(C)C)CC2)n1 ZINC000824084027 810692234 /nfs/dbraw/zinc/69/22/34/810692234.db2.gz NRMWRIGLONXMDM-UHFFFAOYSA-N 2 1 277.416 2.441 50 0 CEAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000825284195 810716282 /nfs/dbraw/zinc/71/62/82/810716282.db2.gz DZJJGJMTEMTOHZ-INIZCTEOSA-N 2 1 287.411 2.190 50 0 CEAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000825284195 810716287 /nfs/dbraw/zinc/71/62/87/810716287.db2.gz DZJJGJMTEMTOHZ-INIZCTEOSA-N 2 1 287.411 2.190 50 0 CEAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OC ZINC000057901407 362600574 /nfs/dbraw/zinc/60/05/74/362600574.db2.gz RLKWUMFTRBEPKJ-UHFFFAOYSA-N 2 1 286.803 2.399 50 0 CEAAMP CC[C@@]1(CO)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000065375470 362812581 /nfs/dbraw/zinc/81/25/81/362812581.db2.gz SSONGFKJJGUCSI-QXSJWSMHSA-N 2 1 294.826 2.303 50 0 CEAAMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072479977 363138735 /nfs/dbraw/zinc/13/87/35/363138735.db2.gz QPJUPADGYMZIBF-KRWDZBQOSA-N 2 1 287.407 2.056 50 0 CEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072479977 363138738 /nfs/dbraw/zinc/13/87/38/363138738.db2.gz QPJUPADGYMZIBF-KRWDZBQOSA-N 2 1 287.407 2.056 50 0 CEAAMP CC(C)n1cncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000215895171 538882100 /nfs/dbraw/zinc/88/21/00/538882100.db2.gz BYHZVXDKIWKUJX-UHFFFAOYSA-N 2 1 264.417 2.238 50 0 CEAAMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000097287833 364490206 /nfs/dbraw/zinc/49/02/06/364490206.db2.gz FPQWAHIBCFHXGC-UHFFFAOYSA-N 2 1 270.804 2.398 50 0 CEAAMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cnn(C)c2)C[C@H]1C ZINC000245343994 370808563 /nfs/dbraw/zinc/80/85/63/370808563.db2.gz WWNHGKKGCNTCQZ-ZBFHGGJFSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cnn(C)c2)C[C@H]1C ZINC000245343994 370808571 /nfs/dbraw/zinc/80/85/71/370808571.db2.gz WWNHGKKGCNTCQZ-ZBFHGGJFSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cnn(C)c2)C[C@H]1C ZINC000245343994 370808576 /nfs/dbraw/zinc/80/85/76/370808576.db2.gz WWNHGKKGCNTCQZ-ZBFHGGJFSA-N 2 1 278.444 2.157 50 0 CEAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](CCCSC)C2)C1 ZINC000012761446 285039617 /nfs/dbraw/zinc/03/96/17/285039617.db2.gz WSZGGYXCSFWTNL-OAHLLOKOSA-N 2 1 286.485 2.174 50 0 CEAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](CCCSC)C2)C1 ZINC000012761446 285039618 /nfs/dbraw/zinc/03/96/18/285039618.db2.gz WSZGGYXCSFWTNL-OAHLLOKOSA-N 2 1 286.485 2.174 50 0 CEAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](CCCSC)C2)C1 ZINC000012761446 285039619 /nfs/dbraw/zinc/03/96/19/285039619.db2.gz WSZGGYXCSFWTNL-OAHLLOKOSA-N 2 1 286.485 2.174 50 0 CEAAMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1C ZINC000266124188 394659662 /nfs/dbraw/zinc/65/96/62/394659662.db2.gz AXBHVBYWZQNIKJ-UKRRQHHQSA-N 2 1 261.413 2.325 50 0 CEAAMP c1c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)nn2c1C[NH2+]CC2 ZINC000072169360 176332154 /nfs/dbraw/zinc/33/21/54/176332154.db2.gz IVVCOBAGUUQLTI-MRXNPFEDSA-N 2 1 296.418 2.051 50 0 CEAAMP CO[C@H]1C[N@@H+](Cc2c(C)ccc3ncccc32)CC[C@H]1[NH3+] ZINC000071730370 274081497 /nfs/dbraw/zinc/08/14/97/274081497.db2.gz GTFHNLTXTYTSCU-WBVHZDCISA-N 2 1 285.391 2.091 50 0 CEAAMP CC1(C)CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000241869075 278236095 /nfs/dbraw/zinc/23/60/95/278236095.db2.gz SUFMYYOJDFABPR-GJZGRUSLSA-N 2 1 268.445 2.392 50 0 CEAAMP CC[N@H+]1CCC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000032558313 279317049 /nfs/dbraw/zinc/31/70/49/279317049.db2.gz LXCBKAKAZBTIGK-KRWDZBQOSA-N 2 1 279.472 2.421 50 0 CEAAMP O[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683601 627374707 /nfs/dbraw/zinc/37/47/07/627374707.db2.gz SZVSQICNJKOEAI-SFHVURJKSA-N 2 1 288.435 2.150 50 0 CEAAMP O[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683601 627374708 /nfs/dbraw/zinc/37/47/08/627374708.db2.gz SZVSQICNJKOEAI-SFHVURJKSA-N 2 1 288.435 2.150 50 0 CEAAMP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n[nH]1 ZINC000067691977 631667681 /nfs/dbraw/zinc/66/76/81/631667681.db2.gz RSFYPWTZYRNZSI-ZDUSSCGKSA-N 2 1 278.444 2.359 50 0 CEAAMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000096494073 230383692 /nfs/dbraw/zinc/38/36/92/230383692.db2.gz DDAQAJUKXUBQTP-XYPHTWIQSA-N 2 1 292.398 2.382 50 0 CEAAMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000096494073 230383693 /nfs/dbraw/zinc/38/36/93/230383693.db2.gz DDAQAJUKXUBQTP-XYPHTWIQSA-N 2 1 292.398 2.382 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2OC)C1 ZINC000037644137 361915704 /nfs/dbraw/zinc/91/57/04/361915704.db2.gz JNOMELAPXNFRHN-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2OC)C1 ZINC000037644137 361915707 /nfs/dbraw/zinc/91/57/07/361915707.db2.gz JNOMELAPXNFRHN-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2OC)C1 ZINC000037644138 361916101 /nfs/dbraw/zinc/91/61/01/361916101.db2.gz JNOMELAPXNFRHN-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2OC)C1 ZINC000037644138 361916108 /nfs/dbraw/zinc/91/61/08/361916108.db2.gz JNOMELAPXNFRHN-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP Cc1n[nH]cc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901178 361962571 /nfs/dbraw/zinc/96/25/71/361962571.db2.gz AIICCQLNJVMZPL-UHFFFAOYSA-N 2 1 264.417 2.462 50 0 CEAAMP Cc1n[nH]cc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901178 361962575 /nfs/dbraw/zinc/96/25/75/361962575.db2.gz AIICCQLNJVMZPL-UHFFFAOYSA-N 2 1 264.417 2.462 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH2+]C)C2)C[C@@H]1C ZINC000097102814 185532624 /nfs/dbraw/zinc/53/26/24/185532624.db2.gz MERLYXYDMMVPAD-ZQDZILKHSA-N 2 1 282.428 2.038 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH2+]C)C2)C[C@@H]1C ZINC000097102814 185532625 /nfs/dbraw/zinc/53/26/25/185532625.db2.gz MERLYXYDMMVPAD-ZQDZILKHSA-N 2 1 282.428 2.038 50 0 CEAAMP C[NH+](C)CC(=O)Nc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000066973197 362898002 /nfs/dbraw/zinc/89/80/02/362898002.db2.gz QCRIBWJMTZCJQG-UHFFFAOYSA-N 2 1 277.412 2.322 50 0 CEAAMP C=Cc1cccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CC)C2)c1 ZINC000091649913 180216014 /nfs/dbraw/zinc/21/60/14/180216014.db2.gz CPIPHBTVXBQOIC-QZTJIDSGSA-N 2 1 288.435 2.322 50 0 CEAAMP C=Cc1cccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CC)C2)c1 ZINC000091649913 180216015 /nfs/dbraw/zinc/21/60/15/180216015.db2.gz CPIPHBTVXBQOIC-QZTJIDSGSA-N 2 1 288.435 2.322 50 0 CEAAMP C=Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CC)C2)c1 ZINC000091649913 180216017 /nfs/dbraw/zinc/21/60/17/180216017.db2.gz CPIPHBTVXBQOIC-QZTJIDSGSA-N 2 1 288.435 2.322 50 0 CEAAMP C=Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CC)C2)c1 ZINC000091649913 180216019 /nfs/dbraw/zinc/21/60/19/180216019.db2.gz CPIPHBTVXBQOIC-QZTJIDSGSA-N 2 1 288.435 2.322 50 0 CEAAMP CCC[N@H+](CCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000244795691 283268801 /nfs/dbraw/zinc/26/88/01/283268801.db2.gz RLWUKLVHUCYMFZ-CQSZACIVSA-N 2 1 251.374 2.083 50 0 CEAAMP CCC[N@@H+](CCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000244795691 283268808 /nfs/dbraw/zinc/26/88/08/283268808.db2.gz RLWUKLVHUCYMFZ-CQSZACIVSA-N 2 1 251.374 2.083 50 0 CEAAMP CC[C@H](COC)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000095423127 364369945 /nfs/dbraw/zinc/36/99/45/364369945.db2.gz WQEOOYHZIUSMIX-CQSZACIVSA-N 2 1 277.412 2.373 50 0 CEAAMP C[C@H]1CCC[C@@H](CO)[N@H+]1CCC[NH+]1CCCCC1 ZINC000161963966 367126960 /nfs/dbraw/zinc/12/69/60/367126960.db2.gz XLSNWSFTAMBRKN-GJZGRUSLSA-N 2 1 254.418 2.098 50 0 CEAAMP COCC[N@@H+](C)Cc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000169676879 367369789 /nfs/dbraw/zinc/36/97/89/367369789.db2.gz DCKBWCBLKYXUHP-UHFFFAOYSA-N 2 1 276.424 2.307 50 0 CEAAMP [NH3+]CCc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000215797126 370180814 /nfs/dbraw/zinc/18/08/14/370180814.db2.gz FASZDCLXRKGBAX-UHFFFAOYSA-N 2 1 276.424 2.315 50 0 CEAAMP c1nn([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934599 371777045 /nfs/dbraw/zinc/77/70/45/371777045.db2.gz LWXZNQOUNMFKNE-GOEBONIOSA-N 2 1 284.407 2.283 50 0 CEAAMP COc1cccc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])nc21 ZINC000426623346 377425552 /nfs/dbraw/zinc/42/55/52/377425552.db2.gz QNSNLDDDIVNKOQ-XOIINTDNSA-N 2 1 297.402 2.413 50 0 CEAAMP COc1cccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])nc21 ZINC000426623346 377425559 /nfs/dbraw/zinc/42/55/59/377425559.db2.gz QNSNLDDDIVNKOQ-XOIINTDNSA-N 2 1 297.402 2.413 50 0 CEAAMP [NH3+]Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299764672 379130046 /nfs/dbraw/zinc/13/00/46/379130046.db2.gz BYJKJNZSECDFFJ-MJBXVCDLSA-N 2 1 284.363 2.221 50 0 CEAAMP [NH3+]Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299764672 379130052 /nfs/dbraw/zinc/13/00/52/379130052.db2.gz BYJKJNZSECDFFJ-MJBXVCDLSA-N 2 1 284.363 2.221 50 0 CEAAMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000000757622 534487785 /nfs/dbraw/zinc/48/77/85/534487785.db2.gz JNCIELPSCYYYMG-SFHVURJKSA-N 2 1 288.435 2.462 50 0 CEAAMP CC(C)(O)[C@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000822293570 810581221 /nfs/dbraw/zinc/58/12/21/810581221.db2.gz KZQKZCRFJVVJDJ-LBPRGKRZSA-N 2 1 268.445 2.388 50 0 CEAAMP C[N@@H+](C[C@H]1CCOC1)CC(C)(C)C[NH+]1CCCC1 ZINC000823680626 810624392 /nfs/dbraw/zinc/62/43/92/810624392.db2.gz RBHSFDYIJQKHRF-CQSZACIVSA-N 2 1 254.418 2.077 50 0 CEAAMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2(CO)CCC2)CC1 ZINC000828685970 810833021 /nfs/dbraw/zinc/83/30/21/810833021.db2.gz LUJWREGIKMLLQU-UHFFFAOYSA-N 2 1 268.445 2.201 50 0 CEAAMP CCOc1ccc(C[NH2+][C@H](CO)CC[NH+](CC)CC)cc1 ZINC000585118288 813683705 /nfs/dbraw/zinc/68/37/05/813683705.db2.gz JEYKRZFJWAYSFK-INIZCTEOSA-N 2 1 294.439 2.268 50 0 CEAAMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000096484334 529918057 /nfs/dbraw/zinc/91/80/57/529918057.db2.gz IAGPRELHNZUHRI-UONOGXRCSA-N 2 1 297.443 2.070 50 0 CEAAMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000019437906 361536056 /nfs/dbraw/zinc/53/60/56/361536056.db2.gz BRCNNQZJOQCSBM-HOCLYGCPSA-N 2 1 289.423 2.067 50 0 CEAAMP C[NH+]1CCC(CNc2ccccn2)([NH+]2CCCCC2)CC1 ZINC000097103446 364451306 /nfs/dbraw/zinc/45/13/06/364451306.db2.gz YGAXZGJXHSLITR-UHFFFAOYSA-N 2 1 288.439 2.444 50 0 CEAAMP Cc1c[nH+]c([C@H]2CC[NH2+]C2)n1Cc1ccc(F)cc1 ZINC000169676608 367369805 /nfs/dbraw/zinc/36/98/05/367369805.db2.gz NVUXSJWOGSGRAS-ZDUSSCGKSA-N 2 1 259.328 2.456 50 0 CEAAMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000229678277 370430151 /nfs/dbraw/zinc/43/01/51/370430151.db2.gz BKPORFLQZCBMKX-XHSDSOJGSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000229678277 370430155 /nfs/dbraw/zinc/43/01/55/370430155.db2.gz BKPORFLQZCBMKX-XHSDSOJGSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000229678277 370430160 /nfs/dbraw/zinc/43/01/60/370430160.db2.gz BKPORFLQZCBMKX-XHSDSOJGSA-N 2 1 268.445 2.344 50 0 CEAAMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000261685313 371701473 /nfs/dbraw/zinc/70/14/73/371701473.db2.gz HFKXFJRLFFYWJR-INIZCTEOSA-N 2 1 270.380 2.043 50 0 CEAAMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000408523206 284341082 /nfs/dbraw/zinc/34/10/82/284341082.db2.gz HWEFEHKTPNMFFZ-DOTOQJQBSA-N 2 1 294.439 2.295 50 0 CEAAMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H]2CCOC2)C1 ZINC000252551079 394572193 /nfs/dbraw/zinc/57/21/93/394572193.db2.gz TYSUYCOQFBRQPO-BZUAXINKSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@@H]2CCOC2)C1 ZINC000252551079 394572196 /nfs/dbraw/zinc/57/21/96/394572196.db2.gz TYSUYCOQFBRQPO-BZUAXINKSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000252551079 394572199 /nfs/dbraw/zinc/57/21/99/394572199.db2.gz TYSUYCOQFBRQPO-BZUAXINKSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 ZINC000252551079 394572202 /nfs/dbraw/zinc/57/22/02/394572202.db2.gz TYSUYCOQFBRQPO-BZUAXINKSA-N 2 1 266.429 2.362 50 0 CEAAMP CC[NH+]1CCC([N@H+](C)CC2(O)CCC(C)CC2)CC1 ZINC000096435774 394692275 /nfs/dbraw/zinc/69/22/75/394692275.db2.gz RKVCQYKUYGRAKX-UHFFFAOYSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[NH+]1CCC([N@@H+](C)CC2(O)CCC(C)CC2)CC1 ZINC000096435774 394692277 /nfs/dbraw/zinc/69/22/77/394692277.db2.gz RKVCQYKUYGRAKX-UHFFFAOYSA-N 2 1 268.445 2.344 50 0 CEAAMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000426596502 395077477 /nfs/dbraw/zinc/07/74/77/395077477.db2.gz NIYWESKPHFFOIR-CYBMUJFWSA-N 2 1 279.815 2.342 50 0 CEAAMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000426596502 395077482 /nfs/dbraw/zinc/07/74/82/395077482.db2.gz NIYWESKPHFFOIR-CYBMUJFWSA-N 2 1 279.815 2.342 50 0 CEAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)cs1 ZINC000040720698 174385674 /nfs/dbraw/zinc/38/56/74/174385674.db2.gz QHIKRLDPGVDLDY-UHFFFAOYSA-N 2 1 263.204 2.210 50 0 CEAAMP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000067947669 175803887 /nfs/dbraw/zinc/80/38/87/175803887.db2.gz KGZNMSSJMMSCQZ-UHFFFAOYSA-N 2 1 251.399 2.027 50 0 CEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc(C)cs1 ZINC000534588177 328316428 /nfs/dbraw/zinc/31/64/28/328316428.db2.gz OLURYVBFSLJSFL-LLVKDONJSA-N 2 1 278.425 2.431 50 0 CEAAMP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C)CC2)n(C)n1 ZINC000850558361 640834116 /nfs/dbraw/zinc/83/41/16/640834116.db2.gz QUICDJYXYMUBLF-PBHICJAKSA-N 2 1 290.455 2.124 50 0 CEAAMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000952860695 815071806 /nfs/dbraw/zinc/07/18/06/815071806.db2.gz RUVAHTICLPZJOA-RBSFLKMASA-N 2 1 254.418 2.144 50 0 CEAAMP Cc1ncsc1C[N@H+](C)CCCc1[nH]cc[nH+]1 ZINC000952879270 815073628 /nfs/dbraw/zinc/07/36/28/815073628.db2.gz CRKZFJWXDPYAGM-UHFFFAOYSA-N 2 1 250.371 2.239 50 0 CEAAMP Cc1ncsc1C[N@@H+](C)CCCc1[nH]cc[nH+]1 ZINC000952879270 815073629 /nfs/dbraw/zinc/07/36/29/815073629.db2.gz CRKZFJWXDPYAGM-UHFFFAOYSA-N 2 1 250.371 2.239 50 0 CEAAMP Cn1ccnc1CC[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000825641664 810721654 /nfs/dbraw/zinc/72/16/54/810721654.db2.gz LIVVTLMTTRTOQR-HUUCEWRRSA-N 2 1 277.412 2.386 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2OC)C1 ZINC000037644350 361915849 /nfs/dbraw/zinc/91/58/49/361915849.db2.gz CEUWWDLHYMQIIY-AWEZNQCLSA-N 2 1 262.397 2.435 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2OC)C1 ZINC000037644350 361915857 /nfs/dbraw/zinc/91/58/57/361915857.db2.gz CEUWWDLHYMQIIY-AWEZNQCLSA-N 2 1 262.397 2.435 50 0 CEAAMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000072481248 363139505 /nfs/dbraw/zinc/13/95/05/363139505.db2.gz DNMFLXARCJWCAG-GOSISDBHSA-N 2 1 299.418 2.123 50 0 CEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000072481248 363139510 /nfs/dbraw/zinc/13/95/10/363139510.db2.gz DNMFLXARCJWCAG-GOSISDBHSA-N 2 1 299.418 2.123 50 0 CEAAMP Cc1ccccc1NC1=[NH+]C2(CCCCC2)NC(=[NH2+])N1 ZINC000000203762 361144707 /nfs/dbraw/zinc/14/47/07/361144707.db2.gz PKLLHGNGSANMSZ-UHFFFAOYSA-N 2 1 271.368 2.341 50 0 CEAAMP OCC[NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000028706440 361676648 /nfs/dbraw/zinc/67/66/48/361676648.db2.gz MNUUKEZBBCZHQH-UHFFFAOYSA-N 2 1 279.771 2.272 50 0 CEAAMP CNC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000089929753 364018015 /nfs/dbraw/zinc/01/80/15/364018015.db2.gz NAKWUZYAOPCRNE-HNNXBMFYSA-N 2 1 295.471 2.099 50 0 CEAAMP C[C@H]1CCCC[C@@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372988 364494115 /nfs/dbraw/zinc/49/41/15/364494115.db2.gz FCPFSALMODXKOU-LSDHHAIUSA-N 2 1 268.445 2.201 50 0 CEAAMP C[C@H]1CCCC[C@@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372988 364494119 /nfs/dbraw/zinc/49/41/19/364494119.db2.gz FCPFSALMODXKOU-LSDHHAIUSA-N 2 1 268.445 2.201 50 0 CEAAMP OCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000221770963 370244760 /nfs/dbraw/zinc/24/47/60/370244760.db2.gz MMUWRUWNHDGEMC-OKZBNKHCSA-N 2 1 288.435 2.259 50 0 CEAAMP c1ccc2c(C[N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)ccnc2c1 ZINC000426361114 377397445 /nfs/dbraw/zinc/39/74/45/377397445.db2.gz BECRXUCUYGAFEV-LVYXFOGZSA-N 2 1 279.387 2.417 50 0 CEAAMP COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299771041 379131652 /nfs/dbraw/zinc/13/16/52/379131652.db2.gz RGZUKQKWGAVGQI-OAHLLOKOSA-N 2 1 290.407 2.027 50 0 CEAAMP CC(C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020203430 394472974 /nfs/dbraw/zinc/47/29/74/394472974.db2.gz NWJLPKXVTXQBJJ-OKILXGFUSA-N 2 1 254.418 2.216 50 0 CEAAMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996505 394495614 /nfs/dbraw/zinc/49/56/14/394495614.db2.gz DXUTXKPHSNDRRT-HZPDHXFCSA-N 2 1 265.445 2.076 50 0 CEAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000108476851 400268649 /nfs/dbraw/zinc/26/86/49/400268649.db2.gz RWOYFWYYKMTVCR-ZJIFWQFVSA-N 2 1 268.445 2.369 50 0 CEAAMP CC1(C)CC([NH2+]Cc2cccc(C(N)=O)c2)CC(C)(C)[NH2+]1 ZINC000071204906 176079452 /nfs/dbraw/zinc/07/94/52/176079452.db2.gz QKBKKXGZZCFGFD-UHFFFAOYSA-N 2 1 289.423 2.184 50 0 CEAAMP Cc1cc(Cl)cc2c(N[C@@H]3CC[NH2+]C[C@H]3O)cc[nH+]c12 ZINC000077299053 177250139 /nfs/dbraw/zinc/25/01/39/177250139.db2.gz KUQGZNMJXNCOOX-ZIAGYGMSSA-N 2 1 291.782 2.331 50 0 CEAAMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000095420369 277152136 /nfs/dbraw/zinc/15/21/36/277152136.db2.gz MZZAYCRQOBCQLF-HZPDHXFCSA-N 2 1 279.472 2.466 50 0 CEAAMP C(CSCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484377 527487448 /nfs/dbraw/zinc/48/74/48/527487448.db2.gz OTEMDEPVMCXJMY-UONOGXRCSA-N 2 1 254.443 2.346 50 0 CEAAMP c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)n[nH]1 ZINC000067769486 631727540 /nfs/dbraw/zinc/72/75/40/631727540.db2.gz FQPOJUHFOLCTGD-MRXNPFEDSA-N 2 1 286.379 2.245 50 0 CEAAMP c1cc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)n[nH]1 ZINC000067769486 631727543 /nfs/dbraw/zinc/72/75/43/631727543.db2.gz FQPOJUHFOLCTGD-MRXNPFEDSA-N 2 1 286.379 2.245 50 0 CEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCC(C)(C)OC ZINC000824250324 810698212 /nfs/dbraw/zinc/69/82/12/810698212.db2.gz ZSHRWEHKEIAQFV-GFCCVEGCSA-N 2 1 253.390 2.239 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2ccccn12 ZINC000095981749 185054395 /nfs/dbraw/zinc/05/43/95/185054395.db2.gz STRTYCBBINUSTA-UHFFFAOYSA-N 2 1 283.379 2.361 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2ccccn12 ZINC000095981749 185054396 /nfs/dbraw/zinc/05/43/96/185054396.db2.gz STRTYCBBINUSTA-UHFFFAOYSA-N 2 1 283.379 2.361 50 0 CEAAMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122804750 365632938 /nfs/dbraw/zinc/63/29/38/365632938.db2.gz MTROPHONBWNQGK-UONOGXRCSA-N 2 1 297.443 2.116 50 0 CEAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000050245315 362411968 /nfs/dbraw/zinc/41/19/68/362411968.db2.gz KLFVWZACBWXKGF-LLVKDONJSA-N 2 1 258.287 2.486 50 0 CEAAMP CC[NH+]1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000055292621 362547053 /nfs/dbraw/zinc/54/70/53/362547053.db2.gz UNRVJHVMZCTKPK-UHFFFAOYSA-N 2 1 278.396 2.278 50 0 CEAAMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000084018902 539487289 /nfs/dbraw/zinc/48/72/89/539487289.db2.gz IDRIMSMTHDNWDD-CYBMUJFWSA-N 2 1 272.396 2.384 50 0 CEAAMP Cc1ccc(OCCC[NH2+]CC[NH3+])c(Br)c1 ZINC000020118279 361580582 /nfs/dbraw/zinc/58/05/82/361580582.db2.gz UWCRONNSVJWSQN-UHFFFAOYSA-N 2 1 287.201 2.075 50 0 CEAAMP Cc1cc(OCCC[NH2+]CC[NH3+])ccc1C(C)C ZINC000020117913 361580724 /nfs/dbraw/zinc/58/07/24/361580724.db2.gz ODIUXAUABCLQNV-UHFFFAOYSA-N 2 1 250.386 2.436 50 0 CEAAMP [NH3+]Cc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000089222902 363949647 /nfs/dbraw/zinc/94/96/47/363949647.db2.gz GEIWZKPROVZWOG-UHFFFAOYSA-N 2 1 253.349 2.099 50 0 CEAAMP Cc1ncccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237669064 370742761 /nfs/dbraw/zinc/74/27/61/370742761.db2.gz LNWOIFVUMXKEBX-GASCZTMLSA-N 2 1 291.439 2.369 50 0 CEAAMP CCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420473 364368187 /nfs/dbraw/zinc/36/81/87/364368187.db2.gz QFFBGIKSYVYBRU-JKSUJKDBSA-N 2 1 265.445 2.077 50 0 CEAAMP C[C@H]1CCCC[C@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372990 364494144 /nfs/dbraw/zinc/49/41/44/364494144.db2.gz FCPFSALMODXKOU-GJZGRUSLSA-N 2 1 268.445 2.201 50 0 CEAAMP C[C@H]1CCCC[C@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372990 364494148 /nfs/dbraw/zinc/49/41/48/364494148.db2.gz FCPFSALMODXKOU-GJZGRUSLSA-N 2 1 268.445 2.201 50 0 CEAAMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000585120778 367180234 /nfs/dbraw/zinc/18/02/34/367180234.db2.gz KUYCTEZUJVVLNL-INIZCTEOSA-N 2 1 289.423 2.214 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@H]1[C@@H]23 ZINC000004073388 394455525 /nfs/dbraw/zinc/45/55/25/394455525.db2.gz OWCMWMIGCIAINN-QSJFSLAZSA-N 2 1 294.439 2.182 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@H]1[C@@H]23 ZINC000004073388 394455531 /nfs/dbraw/zinc/45/55/31/394455531.db2.gz OWCMWMIGCIAINN-QSJFSLAZSA-N 2 1 294.439 2.182 50 0 CEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2c(F)cccc2F)CC1 ZINC000072162879 176330640 /nfs/dbraw/zinc/33/06/40/176330640.db2.gz KZQOZFBXCFLOKB-INIZCTEOSA-N 2 1 298.377 2.243 50 0 CEAAMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CCO1 ZINC000225323017 276001136 /nfs/dbraw/zinc/00/11/36/276001136.db2.gz ASNADAZSBVMWTP-XQLPTFJDSA-N 2 1 254.418 2.249 50 0 CEAAMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)C[C@@H]2C1 ZINC000216024363 538882230 /nfs/dbraw/zinc/88/22/30/538882230.db2.gz SWPXVTKPJRUSMX-GASCZTMLSA-N 2 1 255.365 2.161 50 0 CEAAMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)C[C@@H]2C1 ZINC000216024363 538882231 /nfs/dbraw/zinc/88/22/31/538882231.db2.gz SWPXVTKPJRUSMX-GASCZTMLSA-N 2 1 255.365 2.161 50 0 CEAAMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)C[C@@H]2C1 ZINC000216024363 538882232 /nfs/dbraw/zinc/88/22/32/538882232.db2.gz SWPXVTKPJRUSMX-GASCZTMLSA-N 2 1 255.365 2.161 50 0 CEAAMP Cc1nccn1CCC[NH+](C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000823689924 810625817 /nfs/dbraw/zinc/62/58/17/810625817.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 2 1 278.444 2.244 50 0 CEAAMP Cc1nccn1CCC[N@@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000823689924 810625823 /nfs/dbraw/zinc/62/58/23/810625823.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 2 1 278.444 2.244 50 0 CEAAMP Cc1nccn1CCC[N@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000823689924 810625830 /nfs/dbraw/zinc/62/58/30/810625830.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 2 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH+](C)C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000823689924 810625838 /nfs/dbraw/zinc/62/58/38/810625838.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 3 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH+](C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000823689924 810625842 /nfs/dbraw/zinc/62/58/42/810625842.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 3 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000823689924 810625851 /nfs/dbraw/zinc/62/58/51/810625851.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 3 1 278.444 2.244 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000823689924 810625855 /nfs/dbraw/zinc/62/58/55/810625855.db2.gz GJKHWDOREIDBIO-MRXNPFEDSA-N 3 1 278.444 2.244 50 0 CEAAMP CCCO[C@@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000032603462 361745513 /nfs/dbraw/zinc/74/55/13/361745513.db2.gz HSDYLHISCXSTJT-OAHLLOKOSA-N 2 1 254.418 2.362 50 0 CEAAMP CCCO[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000032603462 361745517 /nfs/dbraw/zinc/74/55/17/361745517.db2.gz HSDYLHISCXSTJT-OAHLLOKOSA-N 2 1 254.418 2.362 50 0 CEAAMP COC[C@H]1C[N@@H+](Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000169789788 344482925 /nfs/dbraw/zinc/48/29/25/344482925.db2.gz AHGSCLVNQIYWGT-OAHLLOKOSA-N 2 1 292.398 2.274 50 0 CEAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000050245310 362412129 /nfs/dbraw/zinc/41/21/29/362412129.db2.gz OSCMBQYBTULVAD-NSHDSACASA-N 2 1 274.286 2.366 50 0 CEAAMP COc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000585141212 345007656 /nfs/dbraw/zinc/00/76/56/345007656.db2.gz RMKVGXROMYHNIW-UHFFFAOYSA-N 2 1 292.423 2.020 50 0 CEAAMP CCc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000067956092 362932979 /nfs/dbraw/zinc/93/29/79/362932979.db2.gz SSEMSTHZIMZDCD-UHFFFAOYSA-N 2 1 259.397 2.220 50 0 CEAAMP CSc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091663168 180219896 /nfs/dbraw/zinc/21/98/96/180219896.db2.gz ZUYRSVSPVPASLD-HUUCEWRRSA-N 2 1 294.464 2.010 50 0 CEAAMP CSc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091663168 180219897 /nfs/dbraw/zinc/21/98/97/180219897.db2.gz ZUYRSVSPVPASLD-HUUCEWRRSA-N 2 1 294.464 2.010 50 0 CEAAMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CCCn1ccccc1=O ZINC000670456655 540419060 /nfs/dbraw/zinc/41/90/60/540419060.db2.gz MBFZBJCJNCZBEV-INIZCTEOSA-N 2 1 291.439 2.093 50 0 CEAAMP COCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154710359 366787071 /nfs/dbraw/zinc/78/70/71/366787071.db2.gz DXJSSEBHTLCJBH-INIZCTEOSA-N 2 1 268.445 2.467 50 0 CEAAMP C[NH2+]CCN(C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000097165824 364471213 /nfs/dbraw/zinc/47/12/13/364471213.db2.gz LRPKXTZCXARHTH-OKZBNKHCSA-N 2 1 287.451 2.048 50 0 CEAAMP CC[N@H+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000245339326 370809143 /nfs/dbraw/zinc/80/91/43/370809143.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000245339326 370809145 /nfs/dbraw/zinc/80/91/45/370809145.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000245339326 370809150 /nfs/dbraw/zinc/80/91/50/370809150.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 2 1 279.472 2.322 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@H]23 ZINC000253389835 371513200 /nfs/dbraw/zinc/51/32/00/371513200.db2.gz OWCMWMIGCIAINN-JKQORVJESA-N 2 1 294.439 2.182 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@H]23 ZINC000253389835 371513203 /nfs/dbraw/zinc/51/32/03/371513203.db2.gz OWCMWMIGCIAINN-JKQORVJESA-N 2 1 294.439 2.182 50 0 CEAAMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000389065345 375299218 /nfs/dbraw/zinc/29/92/18/375299218.db2.gz VELGPXVQBNNYQQ-RRFJBIMHSA-N 2 1 254.418 2.266 50 0 CEAAMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299753868 379127620 /nfs/dbraw/zinc/12/76/20/379127620.db2.gz ZPICMMNOOZSWKT-PMPSAXMXSA-N 2 1 295.471 2.227 50 0 CEAAMP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996506 394495947 /nfs/dbraw/zinc/49/59/47/394495947.db2.gz DXUTXKPHSNDRRT-JKSUJKDBSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[C@H](C)[N@@H+](C)Cc1cccc(C2(O)CC[NH2+]CC2)c1 ZINC000032916907 171762162 /nfs/dbraw/zinc/76/21/62/171762162.db2.gz VLOFATMPYBXDQB-AWEZNQCLSA-N 2 1 276.424 2.488 50 0 CEAAMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040621049 174354680 /nfs/dbraw/zinc/35/46/80/174354680.db2.gz GRKWRWFNBBKZAN-MRXNPFEDSA-N 2 1 289.423 2.465 50 0 CEAAMP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000072343460 176372160 /nfs/dbraw/zinc/37/21/60/176372160.db2.gz XQJAUQVNKMVBIK-GFCCVEGCSA-N 2 1 269.352 2.391 50 0 CEAAMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122805228 289887535 /nfs/dbraw/zinc/88/75/35/289887535.db2.gz MTROPHONBWNQGK-ZIAGYGMSSA-N 2 1 297.443 2.116 50 0 CEAAMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](C1CCC1)CC2 ZINC000169789601 639636762 /nfs/dbraw/zinc/63/67/62/639636762.db2.gz AKXGNEJFCDSUOC-AWEZNQCLSA-N 2 1 278.440 2.098 50 0 CEAAMP CCC1CC[NH+](CCNc2cc(N)[nH+]c(SC)n2)CC1 ZINC000822724724 810595496 /nfs/dbraw/zinc/59/54/96/810595496.db2.gz IREXZHAXUGOBRC-UHFFFAOYSA-N 2 1 295.456 2.315 50 0 CEAAMP Cc1ccccc1[C@H](CNc1nc[nH+]c(N)c1C)[NH+](C)C ZINC000823652653 810621454 /nfs/dbraw/zinc/62/14/54/810621454.db2.gz VWPBRSBULFPMGF-AWEZNQCLSA-N 2 1 285.395 2.390 50 0 CEAAMP C[C@@H](C(=O)NCC1CC[NH+](C)CC1)[N@@H+](C)C1CCCCC1 ZINC000823759344 810627954 /nfs/dbraw/zinc/62/79/54/810627954.db2.gz QXFWBNUQEVIPIM-AWEZNQCLSA-N 2 1 295.471 2.097 50 0 CEAAMP C[NH+](C)Cc1csc(C[N@@H+](C)CC2(CO)CCC2)c1 ZINC000828685818 810831985 /nfs/dbraw/zinc/83/19/85/810831985.db2.gz GNMPVYFYIUEIHD-UHFFFAOYSA-N 2 1 282.453 2.404 50 0 CEAAMP C[C@H](CC[NH2+]Cc1cn(C)nc1C(C)(C)C)[NH+](C)C ZINC000585118640 813684212 /nfs/dbraw/zinc/68/42/12/813684212.db2.gz WWSXKPJGQNTQMH-GFCCVEGCSA-N 2 1 266.433 2.147 50 0 CEAAMP C[NH+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000057901304 362600438 /nfs/dbraw/zinc/60/04/38/362600438.db2.gz NMQCRFNWOCMNPF-UHFFFAOYSA-N 2 1 271.202 2.490 50 0 CEAAMP CCOc1ccc2nc(C[N@H+]3CC[C@H](C[NH3+])C3)ccc2c1 ZINC000065422839 362820068 /nfs/dbraw/zinc/82/00/68/362820068.db2.gz DLKBHHCGTDDXBD-CYBMUJFWSA-N 2 1 285.391 2.414 50 0 CEAAMP CC(C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000065494834 362828894 /nfs/dbraw/zinc/82/88/94/362828894.db2.gz WUWCXNNJXUMCFR-UHFFFAOYSA-N 2 1 289.467 2.392 50 0 CEAAMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000067605924 362913403 /nfs/dbraw/zinc/91/34/03/362913403.db2.gz YVNLVNSTCWRJMS-AWEZNQCLSA-N 2 1 290.386 2.365 50 0 CEAAMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000342234179 216272376 /nfs/dbraw/zinc/27/23/76/216272376.db2.gz TUPWIVPRXBOQSI-GOSISDBHSA-N 2 1 299.418 2.187 50 0 CEAAMP OC[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000213744 361146038 /nfs/dbraw/zinc/14/60/38/361146038.db2.gz WRTUWLCILMJTCA-SFHVURJKSA-N 2 1 288.435 2.150 50 0 CEAAMP OC[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000213744 361146042 /nfs/dbraw/zinc/14/60/42/361146042.db2.gz WRTUWLCILMJTCA-SFHVURJKSA-N 2 1 288.435 2.150 50 0 CEAAMP Cc1cc(Br)ccc1OCCC[NH2+]CC[NH3+] ZINC000020118638 361581033 /nfs/dbraw/zinc/58/10/33/361581033.db2.gz GYUSPNMJSGFDSQ-UHFFFAOYSA-N 2 1 287.201 2.075 50 0 CEAAMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000030907042 361705149 /nfs/dbraw/zinc/70/51/49/361705149.db2.gz DUSWGTUUCUICEP-HNNXBMFYSA-N 2 1 287.407 2.219 50 0 CEAAMP Cc1c[nH]c(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)n1 ZINC000216361196 189703320 /nfs/dbraw/zinc/70/33/20/189703320.db2.gz CDYQDHXKOHUKCA-UHFFFAOYSA-N 2 1 262.401 2.074 50 0 CEAAMP OCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000178973374 368318095 /nfs/dbraw/zinc/31/80/95/368318095.db2.gz YWMXNQDBAWVKRW-GOSISDBHSA-N 2 1 288.435 2.358 50 0 CEAAMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000193338771 369928755 /nfs/dbraw/zinc/92/87/55/369928755.db2.gz HGZHQAADWWPYPS-CQSZACIVSA-N 2 1 285.395 2.260 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215295343 370174287 /nfs/dbraw/zinc/17/42/87/370174287.db2.gz GYVZPNJKVZWESB-UHFFFAOYSA-N 2 1 285.351 2.307 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215295343 370174292 /nfs/dbraw/zinc/17/42/92/370174292.db2.gz GYVZPNJKVZWESB-UHFFFAOYSA-N 2 1 285.351 2.307 50 0 CEAAMP CCc1[nH+]ccn1CCN(C)Cc1nccs1 ZINC000252491545 371445792 /nfs/dbraw/zinc/44/57/92/371445792.db2.gz LNZFJEXVYNARAW-UHFFFAOYSA-N 2 1 250.371 2.034 50 0 CEAAMP CCCC1CC[NH+](Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)CC1 ZINC000244691537 189908903 /nfs/dbraw/zinc/90/89/03/189908903.db2.gz JEQGADYUTYDLKD-OKILXGFUSA-N 2 1 291.443 2.032 50 0 CEAAMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000000280575 394449278 /nfs/dbraw/zinc/44/92/78/394449278.db2.gz MAYDUGYFJRTJIV-OAHLLOKOSA-N 2 1 295.471 2.051 50 0 CEAAMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000000280575 394449283 /nfs/dbraw/zinc/44/92/83/394449283.db2.gz MAYDUGYFJRTJIV-OAHLLOKOSA-N 2 1 295.471 2.051 50 0 CEAAMP NC1=[NH+]N2C(=NC3=C(CCCC3)C23CCCCC3)N1 ZINC000013131080 394463142 /nfs/dbraw/zinc/46/31/42/394463142.db2.gz CXLYVTYJFJIAGZ-UHFFFAOYSA-N 2 1 259.357 2.022 50 0 CEAAMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000071857557 176279066 /nfs/dbraw/zinc/27/90/66/176279066.db2.gz WBBWSWUBVNPICY-UHFFFAOYSA-N 2 1 299.846 2.296 50 0 CEAAMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000078552965 177353132 /nfs/dbraw/zinc/35/31/32/177353132.db2.gz XNSRSHCKAWMEIG-UHFFFAOYSA-N 2 1 293.430 2.189 50 0 CEAAMP CC(C)C[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000096477158 279112123 /nfs/dbraw/zinc/11/21/23/279112123.db2.gz MJSUJJUTPUFAEM-HNNXBMFYSA-N 2 1 255.450 2.038 50 0 CEAAMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H](CCO)c1ccccc1 ZINC000871596604 640208322 /nfs/dbraw/zinc/20/83/22/640208322.db2.gz SWKGQOKYHSHQNX-KRWDZBQOSA-N 2 1 276.424 2.384 50 0 CEAAMP Cc1cc(N2CC[N@@H+](C)[C@@H](C)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000823795753 810628776 /nfs/dbraw/zinc/62/87/76/810628776.db2.gz NRMLYPBLYVAJHH-LBPRGKRZSA-N 2 1 299.374 2.412 50 0 CEAAMP CC(C)[N@H+](C)Cc1nc(-c2ccc3c[nH+]cn3c2)no1 ZINC000585120363 813688503 /nfs/dbraw/zinc/68/85/03/813688503.db2.gz JSFNPXGTMKMYEG-UHFFFAOYSA-N 2 1 271.324 2.225 50 0 CEAAMP CC(C)[N@@H+](C)Cc1nc(-c2ccc3c[nH+]cn3c2)no1 ZINC000585120363 813688508 /nfs/dbraw/zinc/68/85/08/813688508.db2.gz JSFNPXGTMKMYEG-UHFFFAOYSA-N 2 1 271.324 2.225 50 0 CEAAMP C[C@]12C[NH+](CCCO)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000585133707 813696231 /nfs/dbraw/zinc/69/62/31/813696231.db2.gz RSGKOEBQZPTFEG-QZTJIDSGSA-N 2 1 288.435 2.213 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OC)C1 ZINC000037643748 361916178 /nfs/dbraw/zinc/91/61/78/361916178.db2.gz MCBQYGZVCBOGGM-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OC)C1 ZINC000037643748 361916186 /nfs/dbraw/zinc/91/61/86/361916186.db2.gz MCBQYGZVCBOGGM-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)[nH+]1 ZINC000065568254 362837878 /nfs/dbraw/zinc/83/78/78/362837878.db2.gz KMNKQVSTRNCJBT-CABCVRRESA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)[nH+]1 ZINC000065568254 362837885 /nfs/dbraw/zinc/83/78/85/362837885.db2.gz KMNKQVSTRNCJBT-CABCVRRESA-N 2 1 275.396 2.160 50 0 CEAAMP CCN1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000065530837 362831440 /nfs/dbraw/zinc/83/14/40/362831440.db2.gz WZJXXLGNDCGUET-HNNXBMFYSA-N 2 1 267.461 2.325 50 0 CEAAMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n(-c2ccccn2)c1 ZINC000067789495 362924694 /nfs/dbraw/zinc/92/46/94/362924694.db2.gz PANQJGHUTXVYLA-UHFFFAOYSA-N 2 1 296.418 2.448 50 0 CEAAMP c1csc(C[N@@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000106976542 186154566 /nfs/dbraw/zinc/15/45/66/186154566.db2.gz UUCDXTRAIIGPHB-HNNXBMFYSA-N 2 1 293.480 2.255 50 0 CEAAMP Cc1nnc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000069608321 362984242 /nfs/dbraw/zinc/98/42/42/362984242.db2.gz VUWARSHLRQFCNU-LLVKDONJSA-N 2 1 266.389 2.103 50 0 CEAAMP CCn1ccc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc21 ZINC000071754413 363112256 /nfs/dbraw/zinc/11/22/56/363112256.db2.gz JQHKFCCDVBZDOK-AWEZNQCLSA-N 2 1 257.381 2.442 50 0 CEAAMP Cc1cc(C)c2[nH+]ccc(N3CC[N@H+](C)[C@H](CCO)C3)c2c1 ZINC000072423667 363134442 /nfs/dbraw/zinc/13/44/42/363134442.db2.gz QQUVHEAZJANMBN-OAHLLOKOSA-N 2 1 299.418 2.354 50 0 CEAAMP COCC[N@H+]1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC000670451314 540415093 /nfs/dbraw/zinc/41/50/93/540415093.db2.gz XKMUPAPPQUPUAZ-MRXNPFEDSA-N 2 1 266.429 2.387 50 0 CEAAMP COCC[NH+]1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC000670451314 540415094 /nfs/dbraw/zinc/41/50/94/540415094.db2.gz XKMUPAPPQUPUAZ-MRXNPFEDSA-N 2 1 266.429 2.387 50 0 CEAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC000670451314 540415096 /nfs/dbraw/zinc/41/50/96/540415096.db2.gz XKMUPAPPQUPUAZ-MRXNPFEDSA-N 2 1 266.429 2.387 50 0 CEAAMP CC[NH+]1CCC([NH2+][C@H](C)CCCC(C)(C)O)CC1 ZINC000000221189 361149351 /nfs/dbraw/zinc/14/93/51/361149351.db2.gz LQRIXESLEDICGM-CYBMUJFWSA-N 2 1 256.434 2.390 50 0 CEAAMP COC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000003683594 361288401 /nfs/dbraw/zinc/28/84/01/361288401.db2.gz PSTZVGWNNRZQSY-OAHLLOKOSA-N 2 1 276.424 2.318 50 0 CEAAMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000019367270 361528782 /nfs/dbraw/zinc/52/87/82/361528782.db2.gz FAFRASVYKLSXPI-UHFFFAOYSA-N 2 1 291.414 2.038 50 0 CEAAMP CC[NH+](CC)C[C@H]1CCCN1C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000019147689 361521649 /nfs/dbraw/zinc/52/16/49/361521649.db2.gz PASKCXXWPATECB-CVEARBPZSA-N 2 1 295.471 2.194 50 0 CEAAMP CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000084760802 363821537 /nfs/dbraw/zinc/82/15/37/363821537.db2.gz TUZLZXCMSJMAFU-MRXNPFEDSA-N 2 1 291.439 2.137 50 0 CEAAMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc3nonc32)CC1 ZINC000097394000 364498488 /nfs/dbraw/zinc/49/84/88/364498488.db2.gz YLRAODUYVRUMAH-ZDUSSCGKSA-N 2 1 274.368 2.139 50 0 CEAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC000097394000 364498493 /nfs/dbraw/zinc/49/84/93/364498493.db2.gz YLRAODUYVRUMAH-ZDUSSCGKSA-N 2 1 274.368 2.139 50 0 CEAAMP Cc1c[nH+]c(C[C@@H]2CC[NH2+]C2)n1Cc1ccccc1 ZINC000169676763 367369748 /nfs/dbraw/zinc/36/97/48/367369748.db2.gz XAHGPGWRDNIKRW-HNNXBMFYSA-N 2 1 255.365 2.392 50 0 CEAAMP CC(C)C[N@H+]1CCO[C@@H](CNc2ccnc(C(C)C)n2)C1 ZINC000171811833 367619553 /nfs/dbraw/zinc/61/95/53/367619553.db2.gz WUBPQQNHPKVUPC-AWEZNQCLSA-N 2 1 292.427 2.369 50 0 CEAAMP CC(C)CN1CCO[C@@H](CNc2ccnc(C(C)C)n2)C1 ZINC000171811833 367619558 /nfs/dbraw/zinc/61/95/58/367619558.db2.gz WUBPQQNHPKVUPC-AWEZNQCLSA-N 2 1 292.427 2.369 50 0 CEAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000215913937 370180733 /nfs/dbraw/zinc/18/07/33/370180733.db2.gz BUFZUEAUERWIDW-UHFFFAOYSA-N 2 1 285.395 2.081 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)[nH+]1 ZINC000225219289 370286951 /nfs/dbraw/zinc/28/69/51/370286951.db2.gz KMNKQVSTRNCJBT-LSDHHAIUSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)[nH+]1 ZINC000225219289 370286953 /nfs/dbraw/zinc/28/69/53/370286953.db2.gz KMNKQVSTRNCJBT-LSDHHAIUSA-N 2 1 275.396 2.160 50 0 CEAAMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000225611439 394469386 /nfs/dbraw/zinc/46/93/86/394469386.db2.gz IXIYYVNIIYHOBR-BZUAXINKSA-N 2 1 276.424 2.081 50 0 CEAAMP C1C[C@H]2C[NH2+]CC[C@@H]1[N@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC000067966710 394581415 /nfs/dbraw/zinc/58/14/15/394581415.db2.gz LLHNIHSDTHDETQ-ZBFHGGJFSA-N 2 1 277.456 2.125 50 0 CEAAMP C1C[C@H]2CNCC[C@@H]1[N@@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC000067966710 394581417 /nfs/dbraw/zinc/58/14/17/394581417.db2.gz LLHNIHSDTHDETQ-ZBFHGGJFSA-N 2 1 277.456 2.125 50 0 CEAAMP C1C[C@H]2CNCC[C@@H]1[N@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC000067966710 394581419 /nfs/dbraw/zinc/58/14/19/394581419.db2.gz LLHNIHSDTHDETQ-ZBFHGGJFSA-N 2 1 277.456 2.125 50 0 CEAAMP COCC[NH+]1CCC(C[N@@H+]2CCn3cccc3[C@H]2C)CC1 ZINC000067868264 394581560 /nfs/dbraw/zinc/58/15/60/394581560.db2.gz HBYWIMJFFWEWRG-OAHLLOKOSA-N 2 1 291.439 2.223 50 0 CEAAMP COCC[NH+]1CCC(C[N@H+]2CCn3cccc3[C@H]2C)CC1 ZINC000067868264 394581563 /nfs/dbraw/zinc/58/15/63/394581563.db2.gz HBYWIMJFFWEWRG-OAHLLOKOSA-N 2 1 291.439 2.223 50 0 CEAAMP Cc1cc(N2CCC[N@@H+](Cc3cccnc3N)CC2)cc[nH+]1 ZINC000072146107 176325000 /nfs/dbraw/zinc/32/50/00/176325000.db2.gz QHJFAGVAEHWBPP-UHFFFAOYSA-N 2 1 297.406 2.080 50 0 CEAAMP O[C@@]1(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000077485507 177273834 /nfs/dbraw/zinc/27/38/34/177273834.db2.gz COCIFGUQEFGVGK-KRWDZBQOSA-N 2 1 290.382 2.029 50 0 CEAAMP O[C@@]1(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000077485507 177273836 /nfs/dbraw/zinc/27/38/36/177273836.db2.gz COCIFGUQEFGVGK-KRWDZBQOSA-N 2 1 290.382 2.029 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000241383529 279095890 /nfs/dbraw/zinc/09/58/90/279095890.db2.gz MWBWHADSTWGLBP-HOTGVXAUSA-N 2 1 268.445 2.345 50 0 CEAAMP Cc1c[nH+]c(N)nc1N1CCC([NH+]2CCCCCC2)CC1 ZINC000091645338 281598014 /nfs/dbraw/zinc/59/80/14/281598014.db2.gz HQXAKOBBBJGNGT-UHFFFAOYSA-N 2 1 289.427 2.212 50 0 CEAAMP CCN(C)C1(C[NH2+][C@@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000534636278 328333686 /nfs/dbraw/zinc/33/36/86/328333686.db2.gz GXNXDCBUBDGZRT-AWEZNQCLSA-N 2 1 278.444 2.434 50 0 CEAAMP c1cc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC000534662698 328350598 /nfs/dbraw/zinc/35/05/98/328350598.db2.gz STSVVPQPUBIMIF-INIZCTEOSA-N 2 1 270.380 2.138 50 0 CEAAMP c1cc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC000534662698 328350599 /nfs/dbraw/zinc/35/05/99/328350599.db2.gz STSVVPQPUBIMIF-INIZCTEOSA-N 2 1 270.380 2.138 50 0 CEAAMP CCc1nccn1C[C@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000823557437 810619977 /nfs/dbraw/zinc/61/99/77/810619977.db2.gz QJGADXIQVJJMDT-HNNXBMFYSA-N 2 1 278.444 2.250 50 0 CEAAMP CN(CC[N@@H+](C)C1CCCC1)C(=O)C[C@H]1CCCC[NH+]1C ZINC000584902965 345004510 /nfs/dbraw/zinc/00/45/10/345004510.db2.gz IKWKCTRTYSABMS-MRXNPFEDSA-N 2 1 295.471 2.194 50 0 CEAAMP CN(CC[NH+](C)C1CCCC1)C(=O)C[C@H]1CCCC[N@@H+]1C ZINC000584902965 345004512 /nfs/dbraw/zinc/00/45/12/345004512.db2.gz IKWKCTRTYSABMS-MRXNPFEDSA-N 2 1 295.471 2.194 50 0 CEAAMP CN(CC[NH+](C)C1CCCC1)C(=O)C[C@H]1CCCC[N@H+]1C ZINC000584902965 345004513 /nfs/dbraw/zinc/00/45/13/345004513.db2.gz IKWKCTRTYSABMS-MRXNPFEDSA-N 2 1 295.471 2.194 50 0 CEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000069918484 363013586 /nfs/dbraw/zinc/01/35/86/363013586.db2.gz JNDKNQBLKPDJNW-CABCVRRESA-N 2 1 291.439 2.167 50 0 CEAAMP Cc1ncn(CC[NH2+][C@@H](C)CCn2cc[nH+]c2C)c1C ZINC000670439905 540410627 /nfs/dbraw/zinc/41/06/27/540410627.db2.gz WDCJOJVEKCKBGA-LBPRGKRZSA-N 2 1 275.400 2.073 50 0 CEAAMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000095420769 364367913 /nfs/dbraw/zinc/36/79/13/364367913.db2.gz WBXYRSLAUSLGMF-HNNXBMFYSA-N 2 1 276.424 2.492 50 0 CEAAMP c1cc(C[N@@H+](Cc2ccccc2)CC2CC[NH2+]CC2)n[nH]1 ZINC000262310723 371850529 /nfs/dbraw/zinc/85/05/29/371850529.db2.gz YYFSUCNAINMHIX-UHFFFAOYSA-N 2 1 284.407 2.412 50 0 CEAAMP C[C@@H](C[N@H+]1CCc2ccccc2C1)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426425454 377404739 /nfs/dbraw/zinc/40/47/39/377404739.db2.gz OUMYNFSQKOTMSQ-FZDIXFNVSA-N 2 1 299.462 2.102 50 0 CEAAMP Cc1[nH+]ccn1[C@H](C)C(=O)N(C)CC[NH+]1CCCCCC1 ZINC000426465385 377408423 /nfs/dbraw/zinc/40/84/23/377408423.db2.gz ACJNBTNOVBXNPJ-CQSZACIVSA-N 2 1 292.427 2.087 50 0 CEAAMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2CCOC2)C1 ZINC000252551081 287273045 /nfs/dbraw/zinc/27/30/45/287273045.db2.gz TYSUYCOQFBRQPO-PMPSAXMXSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2CCOC2)C1 ZINC000252551081 287273046 /nfs/dbraw/zinc/27/30/46/287273046.db2.gz TYSUYCOQFBRQPO-PMPSAXMXSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2CCOC2)C1 ZINC000252551081 287273047 /nfs/dbraw/zinc/27/30/47/287273047.db2.gz TYSUYCOQFBRQPO-PMPSAXMXSA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 ZINC000252551081 287273049 /nfs/dbraw/zinc/27/30/49/287273049.db2.gz TYSUYCOQFBRQPO-PMPSAXMXSA-N 2 1 266.429 2.362 50 0 CEAAMP COC[C@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)cs2)C1 ZINC000215983630 419461579 /nfs/dbraw/zinc/46/15/79/419461579.db2.gz VCOOICUBLWNCNL-LBPRGKRZSA-N 2 1 268.426 2.278 50 0 CEAAMP CC1(C)C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C(C)(C)O1 ZINC000311705666 627691908 /nfs/dbraw/zinc/69/19/08/627691908.db2.gz MUHJNEXPNJFHKY-CYBMUJFWSA-N 2 1 266.429 2.408 50 0 CEAAMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n(-c2cccnc2)c1 ZINC000067541426 362910224 /nfs/dbraw/zinc/91/02/24/362910224.db2.gz WGJPZKUSUVMTMM-SFHVURJKSA-N 2 1 296.418 2.448 50 0 CEAAMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n(-c2cccnc2)c1 ZINC000067541426 362910232 /nfs/dbraw/zinc/91/02/32/362910232.db2.gz WGJPZKUSUVMTMM-SFHVURJKSA-N 2 1 296.418 2.448 50 0 CEAAMP CC[N@@H+](C)C1(CNc2cc(C)[nH+]c(N)n2)CCCC1 ZINC000091526200 180178887 /nfs/dbraw/zinc/17/88/87/180178887.db2.gz PXDTWSLLBCNSLW-UHFFFAOYSA-N 2 1 263.389 2.044 50 0 CEAAMP C[C@H]1CCC[N@@H+](CCN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000072312094 363130292 /nfs/dbraw/zinc/13/02/92/363130292.db2.gz YIAUBGKYDGDXLN-IRXDYDNUSA-N 2 1 279.472 2.279 50 0 CEAAMP Cc1cc(OCCOCC[NH2+]CC[NH3+])cc(C(C)C)c1 ZINC000020118041 361579970 /nfs/dbraw/zinc/57/99/70/361579970.db2.gz YSCIKUBIULWLSL-UHFFFAOYSA-N 2 1 280.412 2.062 50 0 CEAAMP CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000084760799 363822312 /nfs/dbraw/zinc/82/23/12/363822312.db2.gz TUZLZXCMSJMAFU-INIZCTEOSA-N 2 1 291.439 2.137 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccnn3C)C2)[nH+]1 ZINC000092813304 364109583 /nfs/dbraw/zinc/10/95/83/364109583.db2.gz KLFUPLRWTMUHPC-CQSZACIVSA-N 2 1 285.395 2.058 50 0 CEAAMP CC(C)CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095429474 364372777 /nfs/dbraw/zinc/37/27/77/364372777.db2.gz ZAFOUZLNEDKSLR-LSDHHAIUSA-N 2 1 254.418 2.266 50 0 CEAAMP CC[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C)CC2)CC1 ZINC000097050823 364435887 /nfs/dbraw/zinc/43/58/87/364435887.db2.gz MOMDWCMXVVFTFE-MRXNPFEDSA-N 2 1 267.461 2.136 50 0 CEAAMP C[C@H]1CCC[C@H](CO)[N@H+]1CCC[NH+]1CCCCC1 ZINC000161963682 367126699 /nfs/dbraw/zinc/12/66/99/367126699.db2.gz XLSNWSFTAMBRKN-LSDHHAIUSA-N 2 1 254.418 2.098 50 0 CEAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248949207 371273206 /nfs/dbraw/zinc/27/32/06/371273206.db2.gz AXMDIEVHOVCBIF-LSDHHAIUSA-N 2 1 254.418 2.219 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248949207 371273210 /nfs/dbraw/zinc/27/32/10/371273210.db2.gz AXMDIEVHOVCBIF-LSDHHAIUSA-N 2 1 254.418 2.219 50 0 CEAAMP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000092077796 135075110 /nfs/dbraw/zinc/07/51/10/135075110.db2.gz CITVPKGPMKDOHZ-CQSZACIVSA-N 2 1 286.379 2.309 50 0 CEAAMP CCC[N@@H+](C[C@H]1CCCO1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244872917 394496572 /nfs/dbraw/zinc/49/65/72/394496572.db2.gz WGXDIBNBNWNQRM-QLFBSQMISA-N 2 1 254.418 2.395 50 0 CEAAMP COc1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3CC[C@@H](C1)[C@@H]3[NH3+])C2 ZINC000426423792 395075158 /nfs/dbraw/zinc/07/51/58/395075158.db2.gz VKWHQQGJKWDWOI-KYHPRHEASA-N 2 1 286.419 2.222 50 0 CEAAMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCOC2)C1 ZINC000225517672 287273358 /nfs/dbraw/zinc/27/33/58/287273358.db2.gz TYSUYCOQFBRQPO-OWCLPIDISA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCOC2)C1 ZINC000225517672 287273360 /nfs/dbraw/zinc/27/33/60/287273360.db2.gz TYSUYCOQFBRQPO-OWCLPIDISA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000225517672 287273364 /nfs/dbraw/zinc/27/33/64/287273364.db2.gz TYSUYCOQFBRQPO-OWCLPIDISA-N 2 1 266.429 2.362 50 0 CEAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 ZINC000225517672 287273367 /nfs/dbraw/zinc/27/33/67/287273367.db2.gz TYSUYCOQFBRQPO-OWCLPIDISA-N 2 1 266.429 2.362 50 0 CEAAMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1OC ZINC000037408205 173183755 /nfs/dbraw/zinc/18/37/55/173183755.db2.gz AVVNUVHOQNFDEP-CYBMUJFWSA-N 2 1 290.407 2.278 50 0 CEAAMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1OC ZINC000037408205 173183759 /nfs/dbraw/zinc/18/37/59/173183759.db2.gz AVVNUVHOQNFDEP-CYBMUJFWSA-N 2 1 290.407 2.278 50 0 CEAAMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1OC ZINC000037408204 173183944 /nfs/dbraw/zinc/18/39/44/173183944.db2.gz AVVNUVHOQNFDEP-ZDUSSCGKSA-N 2 1 290.407 2.278 50 0 CEAAMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1OC ZINC000037408204 173183947 /nfs/dbraw/zinc/18/39/47/173183947.db2.gz AVVNUVHOQNFDEP-ZDUSSCGKSA-N 2 1 290.407 2.278 50 0 CEAAMP Cc1n[nH]cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000071842076 176275148 /nfs/dbraw/zinc/27/51/48/176275148.db2.gz UHXXMFRXPSURQU-UHFFFAOYSA-N 2 1 276.428 2.462 50 0 CEAAMP c1c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nn2c1C[NH2+]CC2 ZINC000072169359 176332540 /nfs/dbraw/zinc/33/25/40/176332540.db2.gz IVVCOBAGUUQLTI-INIZCTEOSA-N 2 1 296.418 2.051 50 0 CEAAMP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000002577926 273474926 /nfs/dbraw/zinc/47/49/26/273474926.db2.gz PTQFNLSRKXEDPB-UHFFFAOYSA-N 2 1 292.180 2.407 50 0 CEAAMP COc1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3CC[C@@H](C1)[C@@H]3[NH3+])C2 ZINC000426423790 274123874 /nfs/dbraw/zinc/12/38/74/274123874.db2.gz VKWHQQGJKWDWOI-DFGXFYAUSA-N 2 1 286.419 2.222 50 0 CEAAMP OC(C[NH+]1CCC2(CCC2)C1)C[N@H+]1CCC2(CCC2)C1 ZINC000194636923 280398284 /nfs/dbraw/zinc/39/82/84/280398284.db2.gz NDFRETPLTUATJD-UHFFFAOYSA-N 2 1 278.440 2.099 50 0 CEAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000534667878 328346078 /nfs/dbraw/zinc/34/60/78/328346078.db2.gz FJNIMXXTVMIOGZ-VIKVFOODSA-N 2 1 278.371 2.264 50 0 CEAAMP c1cc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC000534662701 328350673 /nfs/dbraw/zinc/35/06/73/328350673.db2.gz STSVVPQPUBIMIF-MRXNPFEDSA-N 2 1 270.380 2.138 50 0 CEAAMP c1cc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC000534662701 328350674 /nfs/dbraw/zinc/35/06/74/328350674.db2.gz STSVVPQPUBIMIF-MRXNPFEDSA-N 2 1 270.380 2.138 50 0 CEAAMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C)CC2)n(C)n1 ZINC000850558364 640834289 /nfs/dbraw/zinc/83/42/89/640834289.db2.gz QUICDJYXYMUBLF-YOEHRIQHSA-N 2 1 290.455 2.124 50 0 CEAAMP Cc1[nH+]ccn1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000863950514 646858750 /nfs/dbraw/zinc/85/87/50/646858750.db2.gz YWCGDRZCYUJGQQ-UHFFFAOYSA-N 2 1 297.362 2.351 50 0 CEAAMP Cc1nc(C[NH2+]CCCNc2ccc(C)c[nH+]2)n(C)c1C ZINC000952861252 815071114 /nfs/dbraw/zinc/07/11/14/815071114.db2.gz ZAULXEVQCNBEDI-UHFFFAOYSA-N 2 1 287.411 2.332 50 0 CEAAMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000163933579 344471537 /nfs/dbraw/zinc/47/15/37/344471537.db2.gz ARNXYMDDVVCJBD-ZDUSSCGKSA-N 2 1 276.428 2.478 50 0 CEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000584894216 345001038 /nfs/dbraw/zinc/00/10/38/345001038.db2.gz BHHMEWWCBLCEAK-CQSZACIVSA-N 2 1 297.406 2.314 50 0 CEAAMP C[NH+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000057901297 362600839 /nfs/dbraw/zinc/60/08/39/362600839.db2.gz MGCNDCWDMMIHER-UHFFFAOYSA-N 2 1 271.202 2.490 50 0 CEAAMP C[NH+](C)Cc1cncc(Oc2ccccc2C[NH+](C)C)n1 ZINC000067879484 362930507 /nfs/dbraw/zinc/93/05/07/362930507.db2.gz RDLZTLRQXMJJMI-UHFFFAOYSA-N 2 1 286.379 2.392 50 0 CEAAMP C[N@H+](Cc1nnc(-c2ccco2)o1)CC1CC[NH+](C)CC1 ZINC000069664116 362988847 /nfs/dbraw/zinc/98/88/47/362988847.db2.gz RCSFPKYRVZXKFT-UHFFFAOYSA-N 2 1 290.367 2.103 50 0 CEAAMP COC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000003683673 361288388 /nfs/dbraw/zinc/28/83/88/361288388.db2.gz RXMUMJWZFLIZJB-CQSZACIVSA-N 2 1 262.397 2.276 50 0 CEAAMP C[NH+]1CCC(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000012703720 361396389 /nfs/dbraw/zinc/39/63/89/361396389.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703720 361396390 /nfs/dbraw/zinc/39/63/90/361396390.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703720 361396391 /nfs/dbraw/zinc/39/63/91/361396391.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC000012703720 361396393 /nfs/dbraw/zinc/39/63/93/361396393.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000012703720 361396394 /nfs/dbraw/zinc/39/63/94/361396394.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 2 1 291.483 2.279 50 0 CEAAMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093146874 364146533 /nfs/dbraw/zinc/14/65/33/364146533.db2.gz FWZFCNZYDPMRIS-ROUUACIJSA-N 2 1 291.483 2.445 50 0 CEAAMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420478 364368333 /nfs/dbraw/zinc/36/83/33/364368333.db2.gz OVKHQJWGMBCAQB-HZPDHXFCSA-N 2 1 265.445 2.076 50 0 CEAAMP C[N@@H+]1CC[C@@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000244724569 370798297 /nfs/dbraw/zinc/79/82/97/370798297.db2.gz MWODQDWXKBWTNB-CQSZACIVSA-N 2 1 293.842 2.414 50 0 CEAAMP C[N@H+]1CC[C@@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000244724569 370798301 /nfs/dbraw/zinc/79/83/01/370798301.db2.gz MWODQDWXKBWTNB-CQSZACIVSA-N 2 1 293.842 2.414 50 0 CEAAMP Cc1nccn1CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000244884406 370802963 /nfs/dbraw/zinc/80/29/63/370802963.db2.gz YLVKKUVHBSJJPM-HNNXBMFYSA-N 2 1 256.353 2.424 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000244884406 370802972 /nfs/dbraw/zinc/80/29/72/370802972.db2.gz YLVKKUVHBSJJPM-HNNXBMFYSA-N 2 1 256.353 2.424 50 0 CEAAMP c1cc(C[NH+]2CCOCC2)ccc1CC1CC[NH2+]CC1 ZINC000169676880 367369865 /nfs/dbraw/zinc/36/98/65/367369865.db2.gz NWMLLTWWOCBTMX-UHFFFAOYSA-N 2 1 274.408 2.061 50 0 CEAAMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246275265 370939669 /nfs/dbraw/zinc/93/96/69/370939669.db2.gz BKPORFLQZCBMKX-OAGGEKHMSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246275265 370939672 /nfs/dbraw/zinc/93/96/72/370939672.db2.gz BKPORFLQZCBMKX-OAGGEKHMSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246275265 370939677 /nfs/dbraw/zinc/93/96/77/370939677.db2.gz BKPORFLQZCBMKX-OAGGEKHMSA-N 2 1 268.445 2.344 50 0 CEAAMP C[C@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252587016 371458340 /nfs/dbraw/zinc/45/83/40/371458340.db2.gz VDCSGLCDMSBNDG-BZZMCLGOSA-N 2 1 288.435 2.258 50 0 CEAAMP CC[C@@H](C)[N@@H+](C)Cc1cccc(C2(O)CC[NH2+]CC2)c1 ZINC000032916905 171762366 /nfs/dbraw/zinc/76/23/66/171762366.db2.gz VLOFATMPYBXDQB-CQSZACIVSA-N 2 1 276.424 2.488 50 0 CEAAMP CC(C)(C)[C@@H](CO)[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055341399 277224180 /nfs/dbraw/zinc/22/41/80/277224180.db2.gz DPUXESKUPUEIIA-RRFJBIMHSA-N 2 1 268.445 2.248 50 0 CEAAMP CC(C)c1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](C)C2)cn1 ZINC000952983895 614324123 /nfs/dbraw/zinc/32/41/23/614324123.db2.gz RZCSANRLJRBDJA-OAHLLOKOSA-N 2 1 262.401 2.031 50 0 CEAAMP CC(C)c1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](C)C2)cn1 ZINC000952983895 614324124 /nfs/dbraw/zinc/32/41/24/614324124.db2.gz RZCSANRLJRBDJA-OAHLLOKOSA-N 2 1 262.401 2.031 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000095967174 185046286 /nfs/dbraw/zinc/04/62/86/185046286.db2.gz IJQQGSMMULGQFA-VNHYZAJKSA-N 2 1 290.407 2.276 50 0 CEAAMP C[N@H+]1CCCC[C@@H]1CCO[C@H](C[NH3+])Cc1ccccc1 ZINC000037102969 361896495 /nfs/dbraw/zinc/89/64/95/361896495.db2.gz JURREHZWAKPHTH-SJORKVTESA-N 2 1 276.424 2.447 50 0 CEAAMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000067605922 362912923 /nfs/dbraw/zinc/91/29/23/362912923.db2.gz YVNLVNSTCWRJMS-CQSZACIVSA-N 2 1 290.386 2.365 50 0 CEAAMP CC(C)(C)[NH2+]CC(=O)Nc1c2c([nH+]c3c1CCC3)CCC2 ZINC000000198574 361144074 /nfs/dbraw/zinc/14/40/74/361144074.db2.gz RGPUPFHAWPBCEF-UHFFFAOYSA-N 2 1 287.407 2.386 50 0 CEAAMP Cc1ccc(C(C)C)cc1OCCOCC[NH2+]CC[NH3+] ZINC000019772302 361552392 /nfs/dbraw/zinc/55/23/92/361552392.db2.gz BKVILPVVMXSRBH-UHFFFAOYSA-N 2 1 280.412 2.062 50 0 CEAAMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000096441545 364424161 /nfs/dbraw/zinc/42/41/61/364424161.db2.gz LVVBSCZNMLIQFW-GJZGRUSLSA-N 2 1 254.418 2.362 50 0 CEAAMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000096441545 364424167 /nfs/dbraw/zinc/42/41/67/364424167.db2.gz LVVBSCZNMLIQFW-GJZGRUSLSA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000096441545 364424171 /nfs/dbraw/zinc/42/41/71/364424171.db2.gz LVVBSCZNMLIQFW-GJZGRUSLSA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000096441545 364424175 /nfs/dbraw/zinc/42/41/75/364424175.db2.gz LVVBSCZNMLIQFW-GJZGRUSLSA-N 2 1 254.418 2.362 50 0 CEAAMP C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)CCN1 ZINC000188453509 369358623 /nfs/dbraw/zinc/35/86/23/369358623.db2.gz CKXZJTDUFCEMIH-CYBMUJFWSA-N 2 1 297.358 2.308 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@]1(c2ccccc2)CCOC1 ZINC000215068941 370173339 /nfs/dbraw/zinc/17/33/39/370173339.db2.gz YYSOODAKEKZMHX-GOSISDBHSA-N 2 1 299.418 2.482 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@]1(c2ccccc2)CCOC1 ZINC000215068941 370173343 /nfs/dbraw/zinc/17/33/43/370173343.db2.gz YYSOODAKEKZMHX-GOSISDBHSA-N 2 1 299.418 2.482 50 0 CEAAMP CC1(C)CC([N@H+]2CCC[C@H](CC[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071765640 394588849 /nfs/dbraw/zinc/58/88/49/394588849.db2.gz ZZSXGQNNYKRAIM-CYBMUJFWSA-N 3 1 267.461 2.356 50 0 CEAAMP CC1(C)CC([N@H+]2CCC[C@@H](CC[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071765641 394588937 /nfs/dbraw/zinc/58/89/37/394588937.db2.gz ZZSXGQNNYKRAIM-ZDUSSCGKSA-N 3 1 267.461 2.356 50 0 CEAAMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000037502769 173239568 /nfs/dbraw/zinc/23/95/68/173239568.db2.gz YDMVMBAFKRFYFN-ZDUSSCGKSA-N 2 1 278.371 2.408 50 0 CEAAMP C[N@H+](Cc1ccccc1Cl)CC1CC[NH+](CCO)CC1 ZINC000071871543 176283518 /nfs/dbraw/zinc/28/35/18/176283518.db2.gz AWPHSFGMLMUQOQ-UHFFFAOYSA-N 2 1 296.842 2.476 50 0 CEAAMP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000072168634 176332131 /nfs/dbraw/zinc/33/21/31/176332131.db2.gz QGLOWWBSJIWKNB-MRXNPFEDSA-N 2 1 260.381 2.271 50 0 CEAAMP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000072168634 176332132 /nfs/dbraw/zinc/33/21/32/176332132.db2.gz QGLOWWBSJIWKNB-MRXNPFEDSA-N 2 1 260.381 2.271 50 0 CEAAMP COC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)C1CC1 ZINC000096477893 277568179 /nfs/dbraw/zinc/56/81/79/277568179.db2.gz NLPQNKQHGZAHHH-MRXNPFEDSA-N 2 1 289.423 2.373 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000122052420 528369729 /nfs/dbraw/zinc/36/97/29/528369729.db2.gz MORFSKRFSHHJFC-KBPBESRZSA-N 2 1 292.427 2.125 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cccnc1N ZINC000952986058 614328255 /nfs/dbraw/zinc/32/82/55/614328255.db2.gz WEVLCRBIMJOSOO-UHFFFAOYSA-N 2 1 273.384 2.164 50 0 CEAAMP C([NH2+]CC1([NH+]2CCCCC2)CCCC1)[C@H]1CCOC1 ZINC000952960259 815078554 /nfs/dbraw/zinc/07/85/54/815078554.db2.gz TYTHPYSUPIHLDL-OAHLLOKOSA-N 2 1 266.429 2.411 50 0 CEAAMP C[NH+]1CCC(C[N@H+]2CCCOCC2)(c2ccccc2)CC1 ZINC000020775932 810788707 /nfs/dbraw/zinc/78/87/07/810788707.db2.gz CROALGKOZPWRLS-UHFFFAOYSA-N 2 1 288.435 2.372 50 0 CEAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584897642 345002063 /nfs/dbraw/zinc/00/20/63/345002063.db2.gz XYGPIGHUBYGPGE-LBPRGKRZSA-N 2 1 258.369 2.382 50 0 CEAAMP Cc1cc(C)n(CC[N@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000336822806 365875344 /nfs/dbraw/zinc/87/53/44/365875344.db2.gz NAYLEFCGODQRRH-UHFFFAOYSA-N 2 1 275.400 2.027 50 0 CEAAMP Cc1cc(C)n(CC[N@@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000336822806 365875347 /nfs/dbraw/zinc/87/53/47/365875347.db2.gz NAYLEFCGODQRRH-UHFFFAOYSA-N 2 1 275.400 2.027 50 0 CEAAMP Cc1ccc2cc(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000067919639 362931123 /nfs/dbraw/zinc/93/11/23/362931123.db2.gz DPXXEZCPRKTNBR-UHFFFAOYSA-N 2 1 299.418 2.363 50 0 CEAAMP Cc1ccc2cc(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000067919639 362931127 /nfs/dbraw/zinc/93/11/27/362931127.db2.gz DPXXEZCPRKTNBR-UHFFFAOYSA-N 2 1 299.418 2.363 50 0 CEAAMP Cc1nnc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000069608322 362984451 /nfs/dbraw/zinc/98/44/51/362984451.db2.gz VUWARSHLRQFCNU-NSHDSACASA-N 2 1 266.389 2.103 50 0 CEAAMP Cc1cc(C)cc(C[N@@H+](C)CC2CC[NH+](CCO)CC2)c1 ZINC000070011730 363018772 /nfs/dbraw/zinc/01/87/72/363018772.db2.gz MFPKJRRXXGKTAU-UHFFFAOYSA-N 2 1 290.451 2.440 50 0 CEAAMP OCCC1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072164042 363121256 /nfs/dbraw/zinc/12/12/56/363121256.db2.gz NQHDJCHXNUHBGZ-DLBZAZTESA-N 2 1 280.456 2.345 50 0 CEAAMP OCCC1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072164042 363121264 /nfs/dbraw/zinc/12/12/64/363121264.db2.gz NQHDJCHXNUHBGZ-DLBZAZTESA-N 2 1 280.456 2.345 50 0 CEAAMP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)s1 ZINC000091536547 364071178 /nfs/dbraw/zinc/07/11/78/364071178.db2.gz JKUSATRSWXUKJB-HUUCEWRRSA-N 2 1 294.464 2.193 50 0 CEAAMP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)s1 ZINC000091536547 364071182 /nfs/dbraw/zinc/07/11/82/364071182.db2.gz JKUSATRSWXUKJB-HUUCEWRRSA-N 2 1 294.464 2.193 50 0 CEAAMP Cc1cccc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000097163234 364469830 /nfs/dbraw/zinc/46/98/30/364469830.db2.gz LEHJWOIKVDILRR-UHFFFAOYSA-N 2 1 254.337 2.112 50 0 CEAAMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1C ZINC000266124191 394659795 /nfs/dbraw/zinc/65/97/95/394659795.db2.gz AXBHVBYWZQNIKJ-ZFWWWQNUSA-N 2 1 261.413 2.325 50 0 CEAAMP [NH3+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000037390859 173173658 /nfs/dbraw/zinc/17/36/58/173173658.db2.gz MNQYAQYASJFMFK-QGZVFWFLSA-N 2 1 270.376 2.008 50 0 CEAAMP [NH3+]CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000045796279 175384133 /nfs/dbraw/zinc/38/41/33/175384133.db2.gz UIHWXODPXSZZPH-LBPRGKRZSA-N 2 1 254.399 2.078 50 0 CEAAMP [NH3+]CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000045796279 175384134 /nfs/dbraw/zinc/38/41/34/175384134.db2.gz UIHWXODPXSZZPH-LBPRGKRZSA-N 2 1 254.399 2.078 50 0 CEAAMP C[N@@H+](CCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000072343435 176372140 /nfs/dbraw/zinc/37/21/40/176372140.db2.gz CUNVSYOKGFWYEH-AWEZNQCLSA-N 2 1 266.360 2.278 50 0 CEAAMP C(CSCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484373 527486775 /nfs/dbraw/zinc/48/67/75/527486775.db2.gz OTEMDEPVMCXJMY-ZIAGYGMSSA-N 2 1 254.443 2.346 50 0 CEAAMP CCC[NH+]1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000011936653 642917967 /nfs/dbraw/zinc/91/79/67/642917967.db2.gz UUGSPBNHHVEIPS-UHFFFAOYSA-N 2 1 299.422 2.231 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@@H]1CCOC1 ZINC000952861421 815071583 /nfs/dbraw/zinc/07/15/83/815071583.db2.gz FLIARYWVOZVVTI-ZDUSSCGKSA-N 2 1 251.374 2.023 50 0 CEAAMP CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)CC ZINC000822551358 810588062 /nfs/dbraw/zinc/58/80/62/810588062.db2.gz GAIGXEKRIGNDKA-CYBMUJFWSA-N 2 1 283.460 2.142 50 0 CEAAMP c1cnn([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000097103362 344243080 /nfs/dbraw/zinc/24/30/80/344243080.db2.gz UQIZQVLSJZUQHS-INIZCTEOSA-N 2 1 276.428 2.396 50 0 CEAAMP c1cnn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000097103362 344243081 /nfs/dbraw/zinc/24/30/81/344243081.db2.gz UQIZQVLSJZUQHS-INIZCTEOSA-N 2 1 276.428 2.396 50 0 CEAAMP C[NH+]1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000065435035 362823009 /nfs/dbraw/zinc/82/30/09/362823009.db2.gz GHGVFLUCDXNZNL-UHFFFAOYSA-N 3 1 287.451 2.466 50 0 CEAAMP C[NH+]1CCC(NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000065435035 362823015 /nfs/dbraw/zinc/82/30/15/362823015.db2.gz GHGVFLUCDXNZNL-UHFFFAOYSA-N 2 1 287.451 2.466 50 0 CEAAMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067724079 362921282 /nfs/dbraw/zinc/92/12/82/362921282.db2.gz SSYFPARTZFUBQX-OAHLLOKOSA-N 2 1 284.407 2.270 50 0 CEAAMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000067770123 362922523 /nfs/dbraw/zinc/92/25/23/362922523.db2.gz LFWONFCQLOYKKG-AWEZNQCLSA-N 2 1 295.471 2.145 50 0 CEAAMP Cc1nc(N[C@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)c(C)[nH+]1 ZINC000091644303 180214588 /nfs/dbraw/zinc/21/45/88/180214588.db2.gz SXZVDKPQMUHKMI-GJZGRUSLSA-N 2 1 268.364 2.438 50 0 CEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000069918483 363013644 /nfs/dbraw/zinc/01/36/44/363013644.db2.gz JNDKNQBLKPDJNW-GJZGRUSLSA-N 2 1 291.439 2.167 50 0 CEAAMP CCC[N@@H+](C)CC1(O)CCC2(CC[NH2+]CC2)CC1 ZINC000257193188 283057739 /nfs/dbraw/zinc/05/77/39/283057739.db2.gz XQQAWGWZOIZHHV-UHFFFAOYSA-N 2 1 254.418 2.003 50 0 CEAAMP Cc1[nH+]cn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000670470282 540427424 /nfs/dbraw/zinc/42/74/24/540427424.db2.gz MWPUOMBGGZDWGD-GOSISDBHSA-N 2 1 298.434 2.364 50 0 CEAAMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196881 361305359 /nfs/dbraw/zinc/30/53/59/361305359.db2.gz RSTSMVMSMDWOHJ-BZPMIXESSA-N 2 1 276.380 2.234 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196881 361305360 /nfs/dbraw/zinc/30/53/60/361305360.db2.gz RSTSMVMSMDWOHJ-BZPMIXESSA-N 2 1 276.380 2.234 50 0 CEAAMP [NH3+]C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000011729497 361362133 /nfs/dbraw/zinc/36/21/33/361362133.db2.gz BKEAKEWSNWEBSD-UHFFFAOYSA-N 2 1 254.761 2.142 50 0 CEAAMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000030907043 361705076 /nfs/dbraw/zinc/70/50/76/361705076.db2.gz DUSWGTUUCUICEP-OAHLLOKOSA-N 2 1 287.407 2.219 50 0 CEAAMP CCCCSc1nc(NC[C@@H]2CC[N@H+](C)C2)cc(N)[nH+]1 ZINC000095383401 364352344 /nfs/dbraw/zinc/35/23/44/364352344.db2.gz YOSXWQVEJVLNIQ-NSHDSACASA-N 2 1 295.456 2.315 50 0 CEAAMP CCCCSc1nc(NC[C@@H]2CC[N@@H+](C)C2)cc(N)[nH+]1 ZINC000095383401 364352349 /nfs/dbraw/zinc/35/23/49/364352349.db2.gz YOSXWQVEJVLNIQ-NSHDSACASA-N 2 1 295.456 2.315 50 0 CEAAMP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104734 364450639 /nfs/dbraw/zinc/45/06/39/364450639.db2.gz UTMAEQSGEWWUJG-NVXWUHKLSA-N 2 1 280.456 2.367 50 0 CEAAMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104734 364450642 /nfs/dbraw/zinc/45/06/42/364450642.db2.gz UTMAEQSGEWWUJG-NVXWUHKLSA-N 2 1 280.456 2.367 50 0 CEAAMP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299753867 394451938 /nfs/dbraw/zinc/45/19/38/394451938.db2.gz ZPICMMNOOZSWKT-OAGGEKHMSA-N 2 1 295.471 2.227 50 0 CEAAMP COCC[NH+]1CCC(C[N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000067868266 394581339 /nfs/dbraw/zinc/58/13/39/394581339.db2.gz HBYWIMJFFWEWRG-HNNXBMFYSA-N 2 1 291.439 2.223 50 0 CEAAMP COCC[NH+]1CCC(C[N@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000067868266 394581342 /nfs/dbraw/zinc/58/13/42/394581342.db2.gz HBYWIMJFFWEWRG-HNNXBMFYSA-N 2 1 291.439 2.223 50 0 CEAAMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588822 394554069 /nfs/dbraw/zinc/55/40/69/394554069.db2.gz QWRVWWPTRLVFKE-WBVHZDCISA-N 2 1 296.455 2.131 50 0 CEAAMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588822 394554072 /nfs/dbraw/zinc/55/40/72/394554072.db2.gz QWRVWWPTRLVFKE-WBVHZDCISA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588822 394554076 /nfs/dbraw/zinc/55/40/76/394554076.db2.gz QWRVWWPTRLVFKE-WBVHZDCISA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588822 394554080 /nfs/dbraw/zinc/55/40/80/394554080.db2.gz QWRVWWPTRLVFKE-WBVHZDCISA-N 2 1 296.455 2.131 50 0 CEAAMP Cc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000048962909 400219133 /nfs/dbraw/zinc/21/91/33/400219133.db2.gz NGVCIKGWXPWLPY-LOWVWBTDSA-N 2 1 277.416 2.146 50 0 CEAAMP Cc1cc(NC2CC[NH+](C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000657208381 414803619 /nfs/dbraw/zinc/80/36/19/414803619.db2.gz JEQQGQJGVWBLNE-UHFFFAOYSA-N 2 1 290.411 2.149 50 0 CEAAMP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)C2(CCCCC2)N1 ZINC000000063600 295210069 /nfs/dbraw/zinc/21/00/69/295210069.db2.gz OLULEDZFXDUVJO-UHFFFAOYSA-N 2 1 291.786 2.450 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCCn1cc(Cl)cn1 ZINC000821182091 810562914 /nfs/dbraw/zinc/56/29/14/810562914.db2.gz UVVUUHGIUMDXEA-GFCCVEGCSA-N 2 1 295.818 2.500 50 0 CEAAMP CCc1cc(N2CCC[N@@H+](CCO)CC2)c2ccccc2[nH+]1 ZINC000124664392 187147969 /nfs/dbraw/zinc/14/79/69/187147969.db2.gz OHFNSLXNCIJQJW-UHFFFAOYSA-N 2 1 299.418 2.302 50 0 CEAAMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000044533473 362154128 /nfs/dbraw/zinc/15/41/28/362154128.db2.gz ZAXDOHKFYRJGIA-CYBMUJFWSA-N 2 1 292.452 2.444 50 0 CEAAMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000044533473 362154136 /nfs/dbraw/zinc/15/41/36/362154136.db2.gz ZAXDOHKFYRJGIA-CYBMUJFWSA-N 2 1 292.452 2.444 50 0 CEAAMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](O)C1 ZINC000096489609 529998942 /nfs/dbraw/zinc/99/89/42/529998942.db2.gz IJGOQLOCQOXUPW-MRXNPFEDSA-N 2 1 276.424 2.211 50 0 CEAAMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](O)C1 ZINC000096489609 529998943 /nfs/dbraw/zinc/99/89/43/529998943.db2.gz IJGOQLOCQOXUPW-MRXNPFEDSA-N 2 1 276.424 2.211 50 0 CEAAMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](O)C1 ZINC000096489609 529998945 /nfs/dbraw/zinc/99/89/45/529998945.db2.gz IJGOQLOCQOXUPW-MRXNPFEDSA-N 2 1 276.424 2.211 50 0 CEAAMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](O)C1 ZINC000096489609 529998946 /nfs/dbraw/zinc/99/89/46/529998946.db2.gz IJGOQLOCQOXUPW-MRXNPFEDSA-N 2 1 276.424 2.211 50 0 CEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000584894215 345000849 /nfs/dbraw/zinc/00/08/49/345000849.db2.gz BHHMEWWCBLCEAK-AWEZNQCLSA-N 2 1 297.406 2.314 50 0 CEAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OC ZINC000057901349 362601327 /nfs/dbraw/zinc/60/13/27/362601327.db2.gz WDYSGXYITJYWCL-UHFFFAOYSA-N 2 1 266.385 2.135 50 0 CEAAMP CC(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067605685 362913082 /nfs/dbraw/zinc/91/30/82/362913082.db2.gz GGGKHXWMLFZTDU-UHFFFAOYSA-N 2 1 272.392 2.465 50 0 CEAAMP C[N@H+](Cc1nc2cc(F)ccc2[nH]1)CC1CC[NH2+]CC1 ZINC000067757999 362922371 /nfs/dbraw/zinc/92/23/71/362922371.db2.gz QZNGPHPDJNKNKY-UHFFFAOYSA-N 2 1 276.359 2.133 50 0 CEAAMP C[N@@H+](Cc1nc2ccc(F)cc2[nH]1)CC1CC[NH2+]CC1 ZINC000067757999 362922376 /nfs/dbraw/zinc/92/23/76/362922376.db2.gz QZNGPHPDJNKNKY-UHFFFAOYSA-N 2 1 276.359 2.133 50 0 CEAAMP C[N@H+](Cc1nc2ccc(F)cc2[nH]1)CC1CC[NH2+]CC1 ZINC000067757999 362922381 /nfs/dbraw/zinc/92/23/81/362922381.db2.gz QZNGPHPDJNKNKY-UHFFFAOYSA-N 2 1 276.359 2.133 50 0 CEAAMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cnn(C)c2)C[C@H]1C ZINC000245343993 370808336 /nfs/dbraw/zinc/80/83/36/370808336.db2.gz WWNHGKKGCNTCQZ-GDBMZVCRSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cnn(C)c2)C[C@H]1C ZINC000245343993 370808341 /nfs/dbraw/zinc/80/83/41/370808341.db2.gz WWNHGKKGCNTCQZ-GDBMZVCRSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cnn(C)c2)C[C@H]1C ZINC000245343993 370808346 /nfs/dbraw/zinc/80/83/46/370808346.db2.gz WWNHGKKGCNTCQZ-GDBMZVCRSA-N 2 1 278.444 2.157 50 0 CEAAMP C[NH2+]CCN(C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000230119842 370440192 /nfs/dbraw/zinc/44/01/92/370440192.db2.gz LRPKXTZCXARHTH-KZNAEPCWSA-N 2 1 287.451 2.048 50 0 CEAAMP Cc1cc(C)cc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)c1 ZINC000426662395 377427092 /nfs/dbraw/zinc/42/70/92/377427092.db2.gz WHRYOKLEGBETSR-INIZCTEOSA-N 2 1 273.424 2.224 50 0 CEAAMP CC[C@H]1CCC[N@@H+](CCCN2CC[NH+](C)CC2)CC1 ZINC000097050825 394699461 /nfs/dbraw/zinc/69/94/61/394699461.db2.gz MOMDWCMXVVFTFE-INIZCTEOSA-N 2 1 267.461 2.136 50 0 CEAAMP C[C@@H]1C[C@](O)(CC[NH2+]Cc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004785486 170017110 /nfs/dbraw/zinc/01/71/10/170017110.db2.gz JKYJLJRYZGZWSE-BFYDXBDKSA-N 2 1 276.424 2.258 50 0 CEAAMP CCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996514 276258033 /nfs/dbraw/zinc/25/80/33/276258033.db2.gz XANKROQHDXNCCL-JKSUJKDBSA-N 2 1 265.445 2.077 50 0 CEAAMP Cn1ccc2cc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)ccc21 ZINC000825640376 810721875 /nfs/dbraw/zinc/72/18/75/810721875.db2.gz KXPHQDDMYUBFFT-UHFFFAOYSA-N 2 1 299.418 2.133 50 0 CEAAMP C[C@H](c1ccccn1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000096490457 230382506 /nfs/dbraw/zinc/38/25/06/230382506.db2.gz VVEGCNCOCXAJAU-OAHLLOKOSA-N 2 1 290.455 2.100 50 0 CEAAMP C[C@H](c1ccccn1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000096490457 230382507 /nfs/dbraw/zinc/38/25/07/230382507.db2.gz VVEGCNCOCXAJAU-OAHLLOKOSA-N 2 1 290.455 2.100 50 0 CEAAMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000047362351 362205882 /nfs/dbraw/zinc/20/58/82/362205882.db2.gz OITOQFOGULWOMR-CYBMUJFWSA-N 2 1 297.406 2.046 50 0 CEAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000065506416 362828649 /nfs/dbraw/zinc/82/86/49/362828649.db2.gz PYQXFVDNFUNVDA-MRXNPFEDSA-N 2 1 289.423 2.419 50 0 CEAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000065506416 362828656 /nfs/dbraw/zinc/82/86/56/362828656.db2.gz PYQXFVDNFUNVDA-MRXNPFEDSA-N 2 1 289.423 2.419 50 0 CEAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000065506416 362828662 /nfs/dbraw/zinc/82/86/62/362828662.db2.gz PYQXFVDNFUNVDA-MRXNPFEDSA-N 2 1 289.423 2.419 50 0 CEAAMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000091435024 180154145 /nfs/dbraw/zinc/15/41/45/180154145.db2.gz SHSSTTREMPBZDN-AWEZNQCLSA-N 2 1 299.418 2.397 50 0 CEAAMP Cc1cc(C(C)(C)C)ccc1OCC[NH2+]CC[NH3+] ZINC000020118415 361580068 /nfs/dbraw/zinc/58/00/68/361580068.db2.gz XSMLGSQVBAVRNJ-UHFFFAOYSA-N 2 1 250.386 2.220 50 0 CEAAMP CCCCSc1nc(NC[C@H]2CC[N@H+](C)C2)cc(N)[nH+]1 ZINC000095383402 364353031 /nfs/dbraw/zinc/35/30/31/364353031.db2.gz YOSXWQVEJVLNIQ-LLVKDONJSA-N 2 1 295.456 2.315 50 0 CEAAMP CCCCSc1nc(NC[C@H]2CC[N@@H+](C)C2)cc(N)[nH+]1 ZINC000095383402 364353037 /nfs/dbraw/zinc/35/30/37/364353037.db2.gz YOSXWQVEJVLNIQ-LLVKDONJSA-N 2 1 295.456 2.315 50 0 CEAAMP Cc1c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1C ZINC000097080711 364440677 /nfs/dbraw/zinc/44/06/77/364440677.db2.gz ARGXDENCPOKFFN-HIFRSBDPSA-N 2 1 290.455 2.471 50 0 CEAAMP Cc1c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1C ZINC000097080711 364440678 /nfs/dbraw/zinc/44/06/78/364440678.db2.gz ARGXDENCPOKFFN-HIFRSBDPSA-N 2 1 290.455 2.471 50 0 CEAAMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000097717207 364516780 /nfs/dbraw/zinc/51/67/80/364516780.db2.gz YZQAHRCAXYXWTM-MRXNPFEDSA-N 2 1 299.418 2.255 50 0 CEAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000097717207 364516785 /nfs/dbraw/zinc/51/67/85/364516785.db2.gz YZQAHRCAXYXWTM-MRXNPFEDSA-N 2 1 299.418 2.255 50 0 CEAAMP CC[N@@H+](CC1CCOCC1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244858683 370801263 /nfs/dbraw/zinc/80/12/63/370801263.db2.gz VQGXMJAIHPKAJE-OTVXOJSOSA-N 2 1 254.418 2.252 50 0 CEAAMP CCOC(=O)N1CCC([N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000221704703 370242884 /nfs/dbraw/zinc/24/28/84/370242884.db2.gz BDFCTEXMTHLDGN-ZFWWWQNUSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000221704703 370242889 /nfs/dbraw/zinc/24/28/89/370242889.db2.gz BDFCTEXMTHLDGN-ZFWWWQNUSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000221704703 370242893 /nfs/dbraw/zinc/24/28/93/370242893.db2.gz BDFCTEXMTHLDGN-ZFWWWQNUSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221704703 370242897 /nfs/dbraw/zinc/24/28/97/370242897.db2.gz BDFCTEXMTHLDGN-ZFWWWQNUSA-N 2 1 297.443 2.022 50 0 CEAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000221855599 370246292 /nfs/dbraw/zinc/24/62/92/370246292.db2.gz RWOYFWYYKMTVCR-QKPAOTATSA-N 2 1 268.445 2.369 50 0 CEAAMP C[N@@H+](CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000072343434 176372238 /nfs/dbraw/zinc/37/22/38/176372238.db2.gz CUNVSYOKGFWYEH-CQSZACIVSA-N 2 1 266.360 2.278 50 0 CEAAMP Cc1ccc2ncccc2c1C[N@H+]1CC[C@](O)(C[NH+](C)C)C1 ZINC000072410740 176398207 /nfs/dbraw/zinc/39/82/07/176398207.db2.gz CVYFFPXUWKUWPA-SFHVURJKSA-N 2 1 299.418 2.042 50 0 CEAAMP Cc1ccc2ncccc2c1C[N@@H+]1CC[C@](O)(C[NH+](C)C)C1 ZINC000072410740 176398208 /nfs/dbraw/zinc/39/82/08/176398208.db2.gz CVYFFPXUWKUWPA-SFHVURJKSA-N 2 1 299.418 2.042 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000534584245 328312461 /nfs/dbraw/zinc/31/24/61/328312461.db2.gz LNGSFHCUEPEFPE-ZDUSSCGKSA-N 2 1 273.380 2.252 50 0 CEAAMP CC[C@]1(O)CCC[N@@H+](CC(C)(C)C[NH+]2CCCC2)C1 ZINC000822691531 810593723 /nfs/dbraw/zinc/59/37/23/810593723.db2.gz BIEFIAPJHGHYBM-INIZCTEOSA-N 2 1 268.445 2.345 50 0 CEAAMP C[N@@H+](CC(C)(C)C[NH+]1CCCC1)CC1(CO)CCC1 ZINC000828685731 810831664 /nfs/dbraw/zinc/83/16/64/810831664.db2.gz BLOJZFIZYFXUOP-UHFFFAOYSA-N 2 1 268.445 2.203 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC000670457268 540419685 /nfs/dbraw/zinc/41/96/85/540419685.db2.gz VWAMOOHYBWWTHM-GFCCVEGCSA-N 2 1 297.362 2.420 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000082115164 363751597 /nfs/dbraw/zinc/75/15/97/363751597.db2.gz DCQSRGNHASBGTB-HNNXBMFYSA-N 2 1 287.411 2.195 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000082115164 363751599 /nfs/dbraw/zinc/75/15/99/363751599.db2.gz DCQSRGNHASBGTB-HNNXBMFYSA-N 2 1 287.411 2.195 50 0 CEAAMP COc1ccc(CC[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1OC ZINC000244716218 370796183 /nfs/dbraw/zinc/79/61/83/370796183.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 2 1 292.423 2.130 50 0 CEAAMP COc1ccc(CC[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000244716218 370796185 /nfs/dbraw/zinc/79/61/85/370796185.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 2 1 292.423 2.130 50 0 CEAAMP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000245338893 370809123 /nfs/dbraw/zinc/80/91/23/370809123.db2.gz PBRCDWOEHACFRP-YALNPMBYSA-N 2 1 276.424 2.347 50 0 CEAAMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000177189025 368261875 /nfs/dbraw/zinc/26/18/75/368261875.db2.gz YJXMHKPKNFNLPN-CQSZACIVSA-N 2 1 274.408 2.407 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000252488595 371445105 /nfs/dbraw/zinc/44/51/05/371445105.db2.gz IVGUVZUFUAKRKN-UHFFFAOYSA-N 2 1 277.412 2.474 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000252488595 371445116 /nfs/dbraw/zinc/44/51/16/371445116.db2.gz IVGUVZUFUAKRKN-UHFFFAOYSA-N 2 1 277.412 2.474 50 0 CEAAMP [NH2+]=C1NC(=[NH2+])N(c2ccc(Cl)cc2)[C@H](c2ccccc2)N1 ZINC000001748451 394452306 /nfs/dbraw/zinc/45/23/06/394452306.db2.gz VNPFRENABXECQF-CYBMUJFWSA-N 2 1 299.765 2.488 50 0 CEAAMP CC(C)[C@@H]1C[N@@H+](Cc2cccc(CC[NH3+])c2)C[C@H]1N(C)C ZINC000091575434 394657807 /nfs/dbraw/zinc/65/78/07/394657807.db2.gz SUSJPOYVISIWKL-ZWKOTPCHSA-N 2 1 289.467 2.206 50 0 CEAAMP CC(C)[C@@H]1CN(Cc2cccc(CC[NH3+])c2)C[C@H]1[NH+](C)C ZINC000091575434 394657809 /nfs/dbraw/zinc/65/78/09/394657809.db2.gz SUSJPOYVISIWKL-ZWKOTPCHSA-N 2 1 289.467 2.206 50 0 CEAAMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000096424371 394688197 /nfs/dbraw/zinc/68/81/97/394688197.db2.gz ZKHCNPOHVVPWIL-KRWDZBQOSA-N 2 1 279.472 2.279 50 0 CEAAMP Cc1cc(C)c2[nH+]ccc(N[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000534666184 328345354 /nfs/dbraw/zinc/34/53/54/328345354.db2.gz VCLUCDPDNSFGGL-HNNXBMFYSA-N 2 1 299.418 2.406 50 0 CEAAMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000000757621 534488131 /nfs/dbraw/zinc/48/81/31/534488131.db2.gz JNCIELPSCYYYMG-GOSISDBHSA-N 2 1 288.435 2.462 50 0 CEAAMP CC(C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000952966652 614324637 /nfs/dbraw/zinc/32/46/37/614324637.db2.gz VZKXWHXDLJLQIZ-MRXNPFEDSA-N 2 1 295.471 2.096 50 0 CEAAMP C[C@H](CC[NH2+]Cc1ccnn1-c1ccc(F)cc1)[NH+](C)C ZINC000585140399 345007901 /nfs/dbraw/zinc/00/79/01/345007901.db2.gz DBUHLTUOVRQEFH-CYBMUJFWSA-N 2 1 290.386 2.441 50 0 CEAAMP Cc1c[nH+]c(N)nc1NCCC[N@@H+](C)C1CCCC1 ZINC000091830802 180265872 /nfs/dbraw/zinc/26/58/72/180265872.db2.gz QRJVJHBYWFERBT-UHFFFAOYSA-N 2 1 263.389 2.044 50 0 CEAAMP Cc1c[nH+]c(N)nc1NCCC[N@H+](C)C1CCCC1 ZINC000091830802 180265874 /nfs/dbraw/zinc/26/58/74/180265874.db2.gz QRJVJHBYWFERBT-UHFFFAOYSA-N 2 1 263.389 2.044 50 0 CEAAMP [NH3+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000006276514 361336603 /nfs/dbraw/zinc/33/66/03/361336603.db2.gz DBWAVASEYCLVEP-UHFFFAOYSA-N 2 1 287.329 2.176 50 0 CEAAMP CC[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000097080896 364440889 /nfs/dbraw/zinc/44/08/89/364440889.db2.gz FCZRFLCJNFWHOM-UHFFFAOYSA-N 2 1 294.468 2.186 50 0 CEAAMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071819570 176270695 /nfs/dbraw/zinc/27/06/95/176270695.db2.gz IFENFKUQPMZYGM-GFCCVEGCSA-N 2 1 276.428 2.281 50 0 CEAAMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000071819570 176270697 /nfs/dbraw/zinc/27/06/97/176270697.db2.gz IFENFKUQPMZYGM-GFCCVEGCSA-N 2 1 276.428 2.281 50 0 CEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2c(F)cccc2F)CC1 ZINC000072162880 176330475 /nfs/dbraw/zinc/33/04/75/176330475.db2.gz KZQOZFBXCFLOKB-MRXNPFEDSA-N 2 1 298.377 2.243 50 0 CEAAMP [NH2+]=C1NC(=[NH2+])N(c2ccc(Cl)cc2)C2(CCCCC2)N1 ZINC000005589142 303360118 /nfs/dbraw/zinc/36/01/18/303360118.db2.gz HVLCNNIHIPOVOP-UHFFFAOYSA-N 2 1 291.786 2.450 50 0 CEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000534673782 328348844 /nfs/dbraw/zinc/34/88/44/328348844.db2.gz CXMIGDNRPWFFII-CYBMUJFWSA-N 2 1 273.380 2.116 50 0 CEAAMP CC1(C)C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C(C)(C)O1 ZINC000311705676 627692249 /nfs/dbraw/zinc/69/22/49/627692249.db2.gz MUHJNEXPNJFHKY-ZDUSSCGKSA-N 2 1 266.429 2.408 50 0 CEAAMP CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)CC ZINC000822551361 810588525 /nfs/dbraw/zinc/58/85/25/810588525.db2.gz GAIGXEKRIGNDKA-ZDUSSCGKSA-N 2 1 283.460 2.142 50 0 CEAAMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000042911929 362128399 /nfs/dbraw/zinc/12/83/99/362128399.db2.gz QPIUNEYOQQDCDP-UHFFFAOYSA-N 2 1 299.422 2.434 50 0 CEAAMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCCO1 ZINC000110641384 344269247 /nfs/dbraw/zinc/26/92/47/344269247.db2.gz LVVBSCZNMLIQFW-LSDHHAIUSA-N 2 1 254.418 2.362 50 0 CEAAMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCCO1 ZINC000110641384 344269248 /nfs/dbraw/zinc/26/92/48/344269248.db2.gz LVVBSCZNMLIQFW-LSDHHAIUSA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000110641384 344269251 /nfs/dbraw/zinc/26/92/51/344269251.db2.gz LVVBSCZNMLIQFW-LSDHHAIUSA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000110641384 344269253 /nfs/dbraw/zinc/26/92/53/344269253.db2.gz LVVBSCZNMLIQFW-LSDHHAIUSA-N 2 1 254.418 2.362 50 0 CEAAMP c1cn(C[C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)nn1 ZINC000195572094 344523029 /nfs/dbraw/zinc/52/30/29/344523029.db2.gz AVBPVPRUGVUFQD-INIZCTEOSA-N 2 1 291.443 2.009 50 0 CEAAMP c1cn(C[C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)nn1 ZINC000195572094 344523031 /nfs/dbraw/zinc/52/30/31/344523031.db2.gz AVBPVPRUGVUFQD-INIZCTEOSA-N 2 1 291.443 2.009 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCC1(O)CCCC1 ZINC000584890739 344999685 /nfs/dbraw/zinc/99/96/85/344999685.db2.gz AVPZLGVAIZPCIN-CYBMUJFWSA-N 2 1 265.401 2.255 50 0 CEAAMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000055043150 362542535 /nfs/dbraw/zinc/54/25/35/362542535.db2.gz CGYWKMZQPZUIOD-UHFFFAOYSA-N 2 1 287.407 2.361 50 0 CEAAMP CCc1nn(C)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067691686 362920180 /nfs/dbraw/zinc/92/01/80/362920180.db2.gz NIBBJJCELSIZKS-UHFFFAOYSA-N 2 1 296.846 2.211 50 0 CEAAMP NC(=[NH2+])NC(=[NH2+])Nc1ccc(Oc2ccccc2)cc1 ZINC000000570135 361186776 /nfs/dbraw/zinc/18/67/76/361186776.db2.gz GOYRWAVRZBZMIR-UHFFFAOYSA-N 2 1 269.308 2.309 50 0 CEAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000240163624 370777966 /nfs/dbraw/zinc/77/79/66/370777966.db2.gz JCRWRMMLWGCNJA-HCXYKTFWSA-N 2 1 299.462 2.320 50 0 CEAAMP Cc1nccn1CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000244884407 370803137 /nfs/dbraw/zinc/80/31/37/370803137.db2.gz YLVKKUVHBSJJPM-OAHLLOKOSA-N 2 1 256.353 2.424 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000244884407 370803143 /nfs/dbraw/zinc/80/31/43/370803143.db2.gz YLVKKUVHBSJJPM-OAHLLOKOSA-N 2 1 256.353 2.424 50 0 CEAAMP Cc1[nH+]ccn1CCN(C)CC(C)(C)[NH+]1CCCCC1 ZINC000216055884 394450829 /nfs/dbraw/zinc/45/08/29/394450829.db2.gz FRKXTGBFVKDUEO-UHFFFAOYSA-N 2 1 278.444 2.388 50 0 CEAAMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071819569 176270827 /nfs/dbraw/zinc/27/08/27/176270827.db2.gz IFENFKUQPMZYGM-LBPRGKRZSA-N 2 1 276.428 2.281 50 0 CEAAMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071819569 176270828 /nfs/dbraw/zinc/27/08/28/176270828.db2.gz IFENFKUQPMZYGM-LBPRGKRZSA-N 2 1 276.428 2.281 50 0 CEAAMP Cc1nccn1CC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426635485 804882054 /nfs/dbraw/zinc/88/20/54/804882054.db2.gz OINHYKMUSZLDKW-CQSZACIVSA-N 2 1 276.428 2.046 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426635485 804882061 /nfs/dbraw/zinc/88/20/61/804882061.db2.gz OINHYKMUSZLDKW-CQSZACIVSA-N 3 1 276.428 2.046 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426635485 804882070 /nfs/dbraw/zinc/88/20/70/804882070.db2.gz OINHYKMUSZLDKW-CQSZACIVSA-N 3 1 276.428 2.046 50 0 CEAAMP Cc1nn(C)cc1C[NH2+]CCCn1cc[nH+]c1C(C)C ZINC000952973206 815086806 /nfs/dbraw/zinc/08/68/06/815086806.db2.gz RPFUNQOCAKIOIX-UHFFFAOYSA-N 2 1 275.400 2.228 50 0 CEAAMP Cn1ccnc1CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000825641665 810721825 /nfs/dbraw/zinc/72/18/25/810721825.db2.gz LIVVTLMTTRTOQR-LSDHHAIUSA-N 2 1 277.412 2.386 50 0 CEAAMP C[C@H](CCO)[NH2+]CC1([NH+]2CCCCC2)CCCC1 ZINC000828741549 810838951 /nfs/dbraw/zinc/83/89/51/810838951.db2.gz PEURNKXECVYLAS-CQSZACIVSA-N 2 1 254.418 2.146 50 0 CEAAMP c1ccc2c(c1)CC([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000037141080 361898707 /nfs/dbraw/zinc/89/87/07/361898707.db2.gz SUXWEZGWWCASRP-UHFFFAOYSA-N 2 1 256.393 2.370 50 0 CEAAMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n(C)c1C ZINC000584898417 345002526 /nfs/dbraw/zinc/00/25/26/345002526.db2.gz UKBUTTUHLLPXKS-UHFFFAOYSA-N 2 1 290.455 2.345 50 0 CEAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000065394225 362815911 /nfs/dbraw/zinc/81/59/11/362815911.db2.gz QKTIUCJUIBIMQC-LBPRGKRZSA-N 2 1 290.798 2.306 50 0 CEAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000065394225 362815919 /nfs/dbraw/zinc/81/59/19/362815919.db2.gz QKTIUCJUIBIMQC-LBPRGKRZSA-N 2 1 290.798 2.306 50 0 CEAAMP CCN1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000065530841 362831501 /nfs/dbraw/zinc/83/15/01/362831501.db2.gz WZJXXLGNDCGUET-OAHLLOKOSA-N 2 1 267.461 2.325 50 0 CEAAMP C[C@H](c1cccnc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781317 186135270 /nfs/dbraw/zinc/13/52/70/186135270.db2.gz JNDKNQBLKPDJNW-LSDHHAIUSA-N 2 1 291.439 2.167 50 0 CEAAMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196882 361305750 /nfs/dbraw/zinc/30/57/50/361305750.db2.gz RSTSMVMSMDWOHJ-DYEKYZERSA-N 2 1 276.380 2.234 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196882 361305757 /nfs/dbraw/zinc/30/57/57/361305757.db2.gz RSTSMVMSMDWOHJ-DYEKYZERSA-N 2 1 276.380 2.234 50 0 CEAAMP C[NH+]1CCC(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000012703725 361396439 /nfs/dbraw/zinc/39/64/39/361396439.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703725 361396442 /nfs/dbraw/zinc/39/64/42/361396442.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)CC1 ZINC000012703725 361396444 /nfs/dbraw/zinc/39/64/44/361396444.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)CC1 ZINC000012703725 361396445 /nfs/dbraw/zinc/39/64/45/361396445.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 2 1 291.483 2.279 50 0 CEAAMP CN1CCC([NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)CC1 ZINC000012703725 361396446 /nfs/dbraw/zinc/39/64/46/361396446.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 2 1 291.483 2.279 50 0 CEAAMP Cc1cc(C)c2[nH+]ccc(N3CC[N@H+](C)[C@@H](CCO)C3)c2c1 ZINC000106945923 364707883 /nfs/dbraw/zinc/70/78/83/364707883.db2.gz QQUVHEAZJANMBN-HNNXBMFYSA-N 2 1 299.418 2.354 50 0 CEAAMP CC[N@H+]1CC[C@H](CN(C)Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000244858589 370801040 /nfs/dbraw/zinc/80/10/40/370801040.db2.gz VNZBYOJNNFQDQJ-GFCCVEGCSA-N 2 1 290.386 2.476 50 0 CEAAMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CCO1 ZINC000225322981 370290580 /nfs/dbraw/zinc/29/05/80/370290580.db2.gz ASNADAZSBVMWTP-YJNKXOJESA-N 2 1 254.418 2.249 50 0 CEAAMP c1c[nH]c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000317435326 376809425 /nfs/dbraw/zinc/80/94/25/376809425.db2.gz KYXDBBDMZNZEQX-UHFFFAOYSA-N 2 1 298.434 2.249 50 0 CEAAMP C[N@@H+](CCC[C@@H]1CCCO1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244678874 256867670 /nfs/dbraw/zinc/86/76/70/256867670.db2.gz ILQVIZWOWJOPFD-QLFBSQMISA-N 2 1 254.418 2.395 50 0 CEAAMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000169792373 395090004 /nfs/dbraw/zinc/09/00/04/395090004.db2.gz QAGAJSDWAZAKAU-MRXNPFEDSA-N 2 1 259.397 2.245 50 0 CEAAMP CCOc1c(Cl)cc(C[NH2+]CCC[NH2+]C)cc1OC ZINC000008253382 170326982 /nfs/dbraw/zinc/32/69/82/170326982.db2.gz DQHAGRDSJWDRLL-UHFFFAOYSA-N 2 1 286.803 2.446 50 0 CEAAMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000037408200 173184098 /nfs/dbraw/zinc/18/40/98/173184098.db2.gz NBOBRYRWXPNJNC-AWEZNQCLSA-N 2 1 290.407 2.278 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CC1(N(C)C)CCCC1 ZINC000534591525 328318402 /nfs/dbraw/zinc/31/84/02/328318402.db2.gz WWWBPVSCUZOHGJ-CQSZACIVSA-N 2 1 278.444 2.434 50 0 CEAAMP CC(C)CC[N@@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC000169752273 637256916 /nfs/dbraw/zinc/25/69/16/637256916.db2.gz PYRBXJWCKOCZDS-UHFFFAOYSA-N 2 1 254.418 2.266 50 0 CEAAMP CC[C@@]1(O)CCC[N@@H+](CC(C)(C)C[NH+]2CCCC2)C1 ZINC000822691532 810593591 /nfs/dbraw/zinc/59/35/91/810593591.db2.gz BIEFIAPJHGHYBM-MRXNPFEDSA-N 2 1 268.445 2.345 50 0 CEAAMP Cc1cc(N2CC[N@@H+](C)[C@H](C)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000823795752 810629019 /nfs/dbraw/zinc/62/90/19/810629019.db2.gz NRMLYPBLYVAJHH-GFCCVEGCSA-N 2 1 299.374 2.412 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(F)c2)C1 ZINC000037655359 361919657 /nfs/dbraw/zinc/91/96/57/361919657.db2.gz IYOGUJHKCJAHAI-CYBMUJFWSA-N 2 1 266.360 2.266 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(F)c2)C1 ZINC000037655359 361919663 /nfs/dbraw/zinc/91/96/63/361919663.db2.gz IYOGUJHKCJAHAI-CYBMUJFWSA-N 2 1 266.360 2.266 50 0 CEAAMP CC(C)(C)c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]n1 ZINC000067674751 362915930 /nfs/dbraw/zinc/91/59/30/362915930.db2.gz VAWZNVQKQMYBFJ-UHFFFAOYSA-N 2 1 276.428 2.283 50 0 CEAAMP Cc1cc(C)c2[nH]c(C[N@@H+]3CC[C@H](C[NH3+])C3)cc(=O)c2c1 ZINC000092062389 180315019 /nfs/dbraw/zinc/31/50/19/180315019.db2.gz IQPVMWWLBCXDGN-CYBMUJFWSA-N 2 1 285.391 2.338 50 0 CEAAMP Cc1cc(C)c2[nH]c(C[N@H+]3CC[C@H](C[NH3+])C3)cc(=O)c2c1 ZINC000092062389 180315022 /nfs/dbraw/zinc/31/50/22/180315022.db2.gz IQPVMWWLBCXDGN-CYBMUJFWSA-N 2 1 285.391 2.338 50 0 CEAAMP Cc1cc(C)c2[nH]c(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc(=O)c2c1 ZINC000092062390 180315229 /nfs/dbraw/zinc/31/52/29/180315229.db2.gz IQPVMWWLBCXDGN-ZDUSSCGKSA-N 2 1 285.391 2.338 50 0 CEAAMP Cc1cc(C)c2[nH]c(C[N@H+]3CC[C@@H](C[NH3+])C3)cc(=O)c2c1 ZINC000092062390 180315231 /nfs/dbraw/zinc/31/52/31/180315231.db2.gz IQPVMWWLBCXDGN-ZDUSSCGKSA-N 2 1 285.391 2.338 50 0 CEAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC000685944147 540636239 /nfs/dbraw/zinc/63/62/39/540636239.db2.gz RMYXAMDBOLIOHQ-AWEZNQCLSA-N 2 1 260.381 2.030 50 0 CEAAMP CCC[NH+]1CCC([N@H+](CCO)Cc2ccccc2)CC1 ZINC000000220199 361149379 /nfs/dbraw/zinc/14/93/79/361149379.db2.gz FRUMZNBDNPGLMO-UHFFFAOYSA-N 2 1 276.424 2.355 50 0 CEAAMP CCC[NH+]1CCC([N@@H+](CCO)Cc2ccccc2)CC1 ZINC000000220199 361149383 /nfs/dbraw/zinc/14/93/83/361149383.db2.gz FRUMZNBDNPGLMO-UHFFFAOYSA-N 2 1 276.424 2.355 50 0 CEAAMP c1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC000019686118 361546550 /nfs/dbraw/zinc/54/65/50/361546550.db2.gz CKOVZNPOYRVLNB-MRXNPFEDSA-N 2 1 259.397 2.436 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@H+](CCn3cccn3)C2)[nH+]1 ZINC000097200550 364475588 /nfs/dbraw/zinc/47/55/88/364475588.db2.gz POHFWABDFMMDJR-OAHLLOKOSA-N 2 1 285.395 2.021 50 0 CEAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CCn3cccn3)C2)[nH+]1 ZINC000097200550 364475592 /nfs/dbraw/zinc/47/55/92/364475592.db2.gz POHFWABDFMMDJR-OAHLLOKOSA-N 2 1 285.395 2.021 50 0 CEAAMP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000097323979 364491383 /nfs/dbraw/zinc/49/13/83/364491383.db2.gz YSSTYSCVEWMSLX-UHFFFAOYSA-N 2 1 282.391 2.416 50 0 CEAAMP Cc1ccccc1C[N@@H+](CCO)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244719003 370795262 /nfs/dbraw/zinc/79/52/62/370795262.db2.gz LUVXJNSRMSWBCN-WOVMCDHWSA-N 2 1 276.424 2.307 50 0 CEAAMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358249995 370972008 /nfs/dbraw/zinc/97/20/08/370972008.db2.gz KRVUXSIRONEJNX-CVEARBPZSA-N 2 1 259.397 2.149 50 0 CEAAMP C[NH+]1C[C@@H]2C[N@@H+](CCSCc3ccccc3)C[C@@H]2C1 ZINC000192815870 369857389 /nfs/dbraw/zinc/85/73/89/369857389.db2.gz ZOJKSYSGKXQWLV-IYBDPMFKSA-N 2 1 276.449 2.413 50 0 CEAAMP C[NH+]1C[C@@H]2C[N@H+](CCSCc3ccccc3)C[C@@H]2C1 ZINC000192815870 369857391 /nfs/dbraw/zinc/85/73/91/369857391.db2.gz ZOJKSYSGKXQWLV-IYBDPMFKSA-N 2 1 276.449 2.413 50 0 CEAAMP CCc1nccc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000215809875 370180773 /nfs/dbraw/zinc/18/07/73/370180773.db2.gz SOCONQBOMNUMFB-UHFFFAOYSA-N 2 1 299.422 2.456 50 0 CEAAMP Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000257683211 220220966 /nfs/dbraw/zinc/22/09/66/220220966.db2.gz LOBKGGTXGHNBSC-AWEZNQCLSA-N 2 1 265.426 2.335 50 0 CEAAMP Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000257683211 220220971 /nfs/dbraw/zinc/22/09/71/220220971.db2.gz LOBKGGTXGHNBSC-AWEZNQCLSA-N 2 1 265.426 2.335 50 0 CEAAMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588818 394553973 /nfs/dbraw/zinc/55/39/73/394553973.db2.gz QWRVWWPTRLVFKE-DOTOQJQBSA-N 2 1 296.455 2.131 50 0 CEAAMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588818 394553977 /nfs/dbraw/zinc/55/39/77/394553977.db2.gz QWRVWWPTRLVFKE-DOTOQJQBSA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588818 394553979 /nfs/dbraw/zinc/55/39/79/394553979.db2.gz QWRVWWPTRLVFKE-DOTOQJQBSA-N 2 1 296.455 2.131 50 0 CEAAMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588818 394553981 /nfs/dbraw/zinc/55/39/81/394553981.db2.gz QWRVWWPTRLVFKE-DOTOQJQBSA-N 2 1 296.455 2.131 50 0 CEAAMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040621052 174354938 /nfs/dbraw/zinc/35/49/38/174354938.db2.gz GRKWRWFNBBKZAN-INIZCTEOSA-N 2 1 289.423 2.465 50 0 CEAAMP C[C@@H](C1CC[NH+](Cc2c[nH]cn2)CC1)[NH+]1CCCC1 ZINC000072407938 176397892 /nfs/dbraw/zinc/39/78/92/176397892.db2.gz WDDJJGDXEQHWAF-ZDUSSCGKSA-N 2 1 262.401 2.106 50 0 CEAAMP Cc1ccc2ncccc2c1C[N@H+]1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072410741 176398281 /nfs/dbraw/zinc/39/82/81/176398281.db2.gz CVYFFPXUWKUWPA-GOSISDBHSA-N 2 1 299.418 2.042 50 0 CEAAMP Cc1ccc2ncccc2c1C[N@@H+]1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072410741 176398282 /nfs/dbraw/zinc/39/82/82/176398282.db2.gz CVYFFPXUWKUWPA-GOSISDBHSA-N 2 1 299.418 2.042 50 0 CEAAMP CC(C)[C@H]1CN(c2cc[nH+]c(N)n2)CCC[N@@H+]1CC1CC1 ZINC000071753475 264255801 /nfs/dbraw/zinc/25/58/01/264255801.db2.gz SXDGRYMIMKENKD-CQSZACIVSA-N 2 1 289.427 2.006 50 0 CEAAMP CC(C)[C@H]1CN(c2cc[nH+]c(N)n2)CCC[N@H+]1CC1CC1 ZINC000071753475 264255804 /nfs/dbraw/zinc/25/58/04/264255804.db2.gz SXDGRYMIMKENKD-CQSZACIVSA-N 2 1 289.427 2.006 50 0 CEAAMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299752808 280272848 /nfs/dbraw/zinc/27/28/48/280272848.db2.gz VNKHRGGRTTZTHI-OAGGEKHMSA-N 2 1 295.471 2.083 50 0 CEAAMP CCCCc1nc(NCC[NH2+][C@@H]2CCSC2)cc(C)[nH+]1 ZINC000534587239 328315871 /nfs/dbraw/zinc/31/58/71/328315871.db2.gz ZIXDOYYFPPMSQJ-CYBMUJFWSA-N 2 1 294.468 2.057 50 0 CEAAMP Cc1cc(C)c2[nH+]ccc(N[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000534666185 328345420 /nfs/dbraw/zinc/34/54/20/328345420.db2.gz VCLUCDPDNSFGGL-OAHLLOKOSA-N 2 1 299.418 2.406 50 0 CEAAMP C/C=C(\C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOC)C2 ZINC000012470617 643388519 /nfs/dbraw/zinc/38/85/19/643388519.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 2 1 266.429 2.387 50 0 CEAAMP C/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOC)C2 ZINC000012470617 643388523 /nfs/dbraw/zinc/38/85/23/643388523.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 2 1 266.429 2.387 50 0 CEAAMP C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOC)C2 ZINC000012470617 643388528 /nfs/dbraw/zinc/38/85/28/643388528.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 2 1 266.429 2.387 50 0 CEAAMP [NH3+]C1(C[NH2+]Cc2cccnc2)C2CC3CC(C2)CC1C3 ZINC000952877792 815072837 /nfs/dbraw/zinc/07/28/37/815072837.db2.gz VTMDOXYICOGPGG-UHFFFAOYSA-N 2 1 271.408 2.325 50 0 CEAAMP C[C@@H](CN1CCCCCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000821746078 810572053 /nfs/dbraw/zinc/57/20/53/810572053.db2.gz VQAIPXPWKKSTLE-INIZCTEOSA-N 2 1 279.472 2.326 50 0 CEAAMP C[C@@H](C[NH+]1CCCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000821746078 810572058 /nfs/dbraw/zinc/57/20/58/810572058.db2.gz VQAIPXPWKKSTLE-INIZCTEOSA-N 2 1 279.472 2.326 50 0 CEAAMP COC(C)(C)C[C@@H](C)[NH2+]CCn1c[nH+]c(C)c1C ZINC000824250070 810696914 /nfs/dbraw/zinc/69/69/14/810696914.db2.gz CYLWDEKKXLTZKR-LLVKDONJSA-N 2 1 253.390 2.293 50 0 CEAAMP C[N@@H+](Cc1ccno1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067491108 813105614 /nfs/dbraw/zinc/10/56/14/813105614.db2.gz JLXBQDNIIURFIV-UHFFFAOYSA-N 2 1 263.385 2.419 50 0 CEAAMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000034651243 361793232 /nfs/dbraw/zinc/79/32/32/361793232.db2.gz BRCNNQZJOQCSBM-GOEBONIOSA-N 2 1 289.423 2.067 50 0 CEAAMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000065398182 362817537 /nfs/dbraw/zinc/81/75/37/362817537.db2.gz GRIPPXAEOIPCSJ-MRXNPFEDSA-N 2 1 274.408 2.277 50 0 CEAAMP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000091435022 180154587 /nfs/dbraw/zinc/15/45/87/180154587.db2.gz SHSSTTREMPBZDN-CQSZACIVSA-N 2 1 299.418 2.397 50 0 CEAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)C2Cc3ccccc3C2)C1 ZINC000670460995 540421216 /nfs/dbraw/zinc/42/12/16/540421216.db2.gz MWXBGKCZVZRYJL-HNNXBMFYSA-N 2 1 288.435 2.054 50 0 CEAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)C2Cc3ccccc3C2)C1 ZINC000670460995 540421219 /nfs/dbraw/zinc/42/12/19/540421219.db2.gz MWXBGKCZVZRYJL-HNNXBMFYSA-N 2 1 288.435 2.054 50 0 CEAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)C2Cc3ccccc3C2)C1 ZINC000670460995 540421222 /nfs/dbraw/zinc/42/12/22/540421222.db2.gz MWXBGKCZVZRYJL-HNNXBMFYSA-N 2 1 288.435 2.054 50 0 CEAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)C2Cc3ccccc3C2)C1 ZINC000670460995 540421226 /nfs/dbraw/zinc/42/12/26/540421226.db2.gz MWXBGKCZVZRYJL-HNNXBMFYSA-N 2 1 288.435 2.054 50 0 CEAAMP Cn1c([NH2+]Nc2ncnc3ccccc32)csc1=S ZINC000254761001 371538715 /nfs/dbraw/zinc/53/87/15/371538715.db2.gz NZNWLUWJAQDJEU-UHFFFAOYSA-N 2 1 289.389 2.319 50 0 CEAAMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000048331214 400194359 /nfs/dbraw/zinc/19/43/59/400194359.db2.gz YDMJBOZCEMTKMY-OAHLLOKOSA-N 2 1 298.377 2.462 50 0 CEAAMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000222022013 278342438 /nfs/dbraw/zinc/34/24/38/278342438.db2.gz MZZAYCRQOBCQLF-HOTGVXAUSA-N 2 1 279.472 2.466 50 0 CEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC000069901513 278394999 /nfs/dbraw/zinc/39/49/99/278394999.db2.gz BQMKDQVIWSKOHG-CQSZACIVSA-N 2 1 268.445 2.201 50 0 CEAAMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000435868048 281398960 /nfs/dbraw/zinc/39/89/60/281398960.db2.gz BXKXHNZQEDIGQY-HNNXBMFYSA-N 2 1 278.396 2.450 50 0 CEAAMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000435868048 281398962 /nfs/dbraw/zinc/39/89/62/281398962.db2.gz BXKXHNZQEDIGQY-HNNXBMFYSA-N 2 1 278.396 2.450 50 0 CEAAMP C/C=C(\C)C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOC)C2 ZINC000012470611 643388121 /nfs/dbraw/zinc/38/81/21/643388121.db2.gz JTVZWVKKRCPVQE-UDCCBSLUSA-N 2 1 266.429 2.387 50 0 CEAAMP C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOC)C2 ZINC000012470611 643388130 /nfs/dbraw/zinc/38/81/30/643388130.db2.gz JTVZWVKKRCPVQE-UDCCBSLUSA-N 2 1 266.429 2.387 50 0 CEAAMP C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOC)C2 ZINC000012470611 643388138 /nfs/dbraw/zinc/38/81/38/643388138.db2.gz JTVZWVKKRCPVQE-UDCCBSLUSA-N 2 1 266.429 2.387 50 0 CEAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000426362097 804799557 /nfs/dbraw/zinc/79/95/57/804799557.db2.gz WAPMCMPFVHRNSK-ZDUSSCGKSA-N 2 1 292.427 2.085 50 0 CEAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000426362097 804799561 /nfs/dbraw/zinc/79/95/61/804799561.db2.gz WAPMCMPFVHRNSK-ZDUSSCGKSA-N 2 1 292.427 2.085 50 0 CEAAMP COc1ccc(C[NH2+]CCn2c[nH+]c(C)c2C)cc1F ZINC000952871699 815072554 /nfs/dbraw/zinc/07/25/54/815072554.db2.gz BQHHXFXTCGOUEI-UHFFFAOYSA-N 2 1 277.343 2.437 50 0 CEAAMP CCCO[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000032603463 361745324 /nfs/dbraw/zinc/74/53/24/361745324.db2.gz HSDYLHISCXSTJT-HNNXBMFYSA-N 2 1 254.418 2.362 50 0 CEAAMP CCCO[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000032603463 361745327 /nfs/dbraw/zinc/74/53/27/361745327.db2.gz HSDYLHISCXSTJT-HNNXBMFYSA-N 2 1 254.418 2.362 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3sc(C)cn23)C1 ZINC000037644366 361918215 /nfs/dbraw/zinc/91/82/15/361918215.db2.gz LPFXVTKYWSBGDM-ZDUSSCGKSA-N 2 1 292.452 2.444 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3sc(C)cn23)C1 ZINC000037644366 361918222 /nfs/dbraw/zinc/91/82/22/361918222.db2.gz LPFXVTKYWSBGDM-ZDUSSCGKSA-N 2 1 292.452 2.444 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)c1 ZINC000225219097 344544856 /nfs/dbraw/zinc/54/48/56/344544856.db2.gz VSRJJXFHIWADOC-LSDHHAIUSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c1 ZINC000225219097 344544859 /nfs/dbraw/zinc/54/48/59/344544859.db2.gz VSRJJXFHIWADOC-LSDHHAIUSA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067724082 362921643 /nfs/dbraw/zinc/92/16/43/362921643.db2.gz SSYFPARTZFUBQX-HNNXBMFYSA-N 2 1 284.407 2.270 50 0 CEAAMP C[NH+]1CCC([NH2+]CCC2Cc3ccccc3C2)CC1 ZINC000090853845 180047030 /nfs/dbraw/zinc/04/70/30/180047030.db2.gz YHGRPGVCSGWNKG-UHFFFAOYSA-N 2 1 258.409 2.475 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091914596 180286152 /nfs/dbraw/zinc/28/61/52/180286152.db2.gz MVNVMFAIMDYIRT-QGZVFWFLSA-N 2 1 291.439 2.456 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091914596 180286154 /nfs/dbraw/zinc/28/61/54/180286154.db2.gz MVNVMFAIMDYIRT-QGZVFWFLSA-N 2 1 291.439 2.456 50 0 CEAAMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000072481249 363138798 /nfs/dbraw/zinc/13/87/98/363138798.db2.gz DNMFLXARCJWCAG-SFHVURJKSA-N 2 1 299.418 2.123 50 0 CEAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000072481249 363138800 /nfs/dbraw/zinc/13/88/00/363138800.db2.gz DNMFLXARCJWCAG-SFHVURJKSA-N 2 1 299.418 2.123 50 0 CEAAMP COCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154710253 366787331 /nfs/dbraw/zinc/78/73/31/366787331.db2.gz DXJSSEBHTLCJBH-MRXNPFEDSA-N 2 1 268.445 2.467 50 0 CEAAMP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]cc2Cl)CC1 ZINC000084789285 363823076 /nfs/dbraw/zinc/82/30/76/363823076.db2.gz GHXOKTCNOXLLIO-GFCCVEGCSA-N 2 1 282.819 2.173 50 0 CEAAMP CSCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195282819 370122512 /nfs/dbraw/zinc/12/25/12/370122512.db2.gz SSRRDVYHIAMMJF-HNNXBMFYSA-N 2 1 279.453 2.198 50 0 CEAAMP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250510940 371385322 /nfs/dbraw/zinc/38/53/22/371385322.db2.gz OVKHQJWGMBCAQB-HOTGVXAUSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000408523208 284349792 /nfs/dbraw/zinc/34/97/92/284349792.db2.gz HWEFEHKTPNMFFZ-NVXWUHKLSA-N 2 1 294.439 2.295 50 0 CEAAMP [NH3+]CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000045796280 394509746 /nfs/dbraw/zinc/50/97/46/394509746.db2.gz UIHWXODPXSZZPH-GFCCVEGCSA-N 2 1 254.399 2.078 50 0 CEAAMP [NH3+]CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000045796280 394509752 /nfs/dbraw/zinc/50/97/52/394509752.db2.gz UIHWXODPXSZZPH-GFCCVEGCSA-N 2 1 254.399 2.078 50 0 CEAAMP Cc1cc2c(c(-c3ccc(C)[nH+]c3N)c1)O[C@@H](C[NH3+])C2 ZINC000067690831 274725466 /nfs/dbraw/zinc/72/54/66/274725466.db2.gz WHSNMKHEWXIYNY-GFCCVEGCSA-N 2 1 269.348 2.210 50 0 CEAAMP c1ccc(COCCC[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534592641 328318648 /nfs/dbraw/zinc/31/86/48/328318648.db2.gz CGWUEIOZLIKTAQ-USTZCAOPSA-N 2 1 286.419 2.276 50 0 CEAAMP CCN(C)C1(C[NH2+][C@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000534636279 328333749 /nfs/dbraw/zinc/33/37/49/328333749.db2.gz GXNXDCBUBDGZRT-CQSZACIVSA-N 2 1 278.444 2.434 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245851799 539312965 /nfs/dbraw/zinc/31/29/65/539312965.db2.gz JKTHLONJXAKDEI-PQEBFOHHSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245851799 539312966 /nfs/dbraw/zinc/31/29/66/539312966.db2.gz JKTHLONJXAKDEI-PQEBFOHHSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245851799 539312968 /nfs/dbraw/zinc/31/29/68/539312968.db2.gz JKTHLONJXAKDEI-PQEBFOHHSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245851799 539312969 /nfs/dbraw/zinc/31/29/69/539312969.db2.gz JKTHLONJXAKDEI-PQEBFOHHSA-N 2 1 278.440 2.239 50 0 CEAAMP Cc1nc[nH]c1C[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000065381345 362813831 /nfs/dbraw/zinc/81/38/31/362813831.db2.gz TWBDCACHJHPAOX-UHFFFAOYSA-N 2 1 285.395 2.134 50 0 CEAAMP c1nc2c([nH]1)[C@@H](c1cc(C[NH+]3CCCC3)cs1)[NH2+]CC2 ZINC000065458853 362824143 /nfs/dbraw/zinc/82/41/43/362824143.db2.gz OXPZSHHIGFIZEY-OAHLLOKOSA-N 2 1 288.420 2.302 50 0 CEAAMP NC(=[NH2+])NC(=[NH2+])Nc1cc(C(F)(F)F)ccc1Cl ZINC000000073041 361123787 /nfs/dbraw/zinc/12/37/87/361123787.db2.gz IGFTZEOFHWPCDL-UHFFFAOYSA-N 2 1 279.653 2.189 50 0 in-vivo CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)cc1OC ZINC000012411964 361384202 /nfs/dbraw/zinc/38/42/02/361384202.db2.gz DTFZTYBGPRXYNP-BLLLJJGKSA-N 2 1 278.396 2.306 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)cc1OC ZINC000012411964 361384208 /nfs/dbraw/zinc/38/42/08/361384208.db2.gz DTFZTYBGPRXYNP-BLLLJJGKSA-N 2 1 278.396 2.306 50 0 CEAAMP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)sc1C ZINC000094970078 364320032 /nfs/dbraw/zinc/32/00/32/364320032.db2.gz SQDJXWHCPYKLLL-GFCCVEGCSA-N 2 1 253.415 2.321 50 0 CEAAMP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[NH+]1CCC1 ZINC000215229236 370175471 /nfs/dbraw/zinc/17/54/71/370175471.db2.gz RHTKPNUAWRICGN-UHFFFAOYSA-N 2 1 287.451 2.257 50 0 CEAAMP C[NH2+]CCN(C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370075 371511619 /nfs/dbraw/zinc/51/16/19/371511619.db2.gz LRPKXTZCXARHTH-RCCFBDPRSA-N 2 1 287.451 2.048 50 0 CEAAMP Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000257683212 220220995 /nfs/dbraw/zinc/22/09/95/220220995.db2.gz LOBKGGTXGHNBSC-CQSZACIVSA-N 2 1 265.426 2.335 50 0 CEAAMP Cc1nc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000257683212 220220999 /nfs/dbraw/zinc/22/09/99/220220999.db2.gz LOBKGGTXGHNBSC-CQSZACIVSA-N 2 1 265.426 2.335 50 0 CEAAMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000389065347 375299006 /nfs/dbraw/zinc/29/90/06/375299006.db2.gz VELGPXVQBNNYQQ-ZNMIVQPWSA-N 2 1 254.418 2.266 50 0 CEAAMP Cc1ccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)cc1 ZINC000000203751 394448393 /nfs/dbraw/zinc/44/83/93/394448393.db2.gz ATHVBUBNYPMQAA-UHFFFAOYSA-N 2 1 271.368 2.341 50 0 CEAAMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236722227 394486594 /nfs/dbraw/zinc/48/65/94/394486594.db2.gz VNKHRGGRTTZTHI-JYJNAYRXSA-N 2 1 295.471 2.083 50 0 CEAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000191809935 395364213 /nfs/dbraw/zinc/36/42/13/395364213.db2.gz AXMDIEVHOVCBIF-HUUCEWRRSA-N 2 1 254.418 2.219 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000191809935 395364224 /nfs/dbraw/zinc/36/42/24/395364224.db2.gz AXMDIEVHOVCBIF-HUUCEWRRSA-N 2 1 254.418 2.219 50 0 CEAAMP CCc1csc(CC[NH2+][C@H](C)Cn2cc[nH+]c2C)n1 ZINC000584884352 395665795 /nfs/dbraw/zinc/66/57/95/395665795.db2.gz KDJBSMICFYAPIE-LLVKDONJSA-N 2 1 278.425 2.431 50 0 CEAAMP Cc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000048962911 400219791 /nfs/dbraw/zinc/21/97/91/400219791.db2.gz NGVCIKGWXPWLPY-NTZNESFSSA-N 2 1 277.416 2.146 50 0 CEAAMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC000020967707 171282063 /nfs/dbraw/zinc/28/20/63/171282063.db2.gz ILGBWKUFPUPCQV-UHFFFAOYSA-N 2 1 256.777 2.390 50 0 CEAAMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000408523209 279033885 /nfs/dbraw/zinc/03/38/85/279033885.db2.gz HWEFEHKTPNMFFZ-RDJZCZTQSA-N 2 1 294.439 2.295 50 0 CEAAMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[N@H+]1C ZINC000266124183 280011617 /nfs/dbraw/zinc/01/16/17/280011617.db2.gz AXBHVBYWZQNIKJ-DZGCQCFKSA-N 2 1 261.413 2.325 50 0 CEAAMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](C1CCC1)CC2 ZINC000169789602 639636522 /nfs/dbraw/zinc/63/65/22/639636522.db2.gz AKXGNEJFCDSUOC-CQSZACIVSA-N 2 1 278.440 2.098 50 0 CEAAMP CSCCC[N@@H+]1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000012591222 643527016 /nfs/dbraw/zinc/52/70/16/643527016.db2.gz HWKRBSHXWXRFLA-HUUCEWRRSA-N 2 1 286.485 2.051 50 0 CEAAMP CSCCC[N@H+]1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000012591222 643527023 /nfs/dbraw/zinc/52/70/23/643527023.db2.gz HWKRBSHXWXRFLA-HUUCEWRRSA-N 2 1 286.485 2.051 50 0 CEAAMP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000821260268 810564650 /nfs/dbraw/zinc/56/46/50/810564650.db2.gz VNBBGGRWARBNFL-CQSZACIVSA-N 2 1 291.443 2.106 50 0 CEAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000821260268 810564654 /nfs/dbraw/zinc/56/46/54/810564654.db2.gz VNBBGGRWARBNFL-CQSZACIVSA-N 2 1 291.443 2.106 50 0 CEAAMP Cc1[nH+]ccn1C[C@H](C)N(C)Cc1cscn1 ZINC000823648993 810619892 /nfs/dbraw/zinc/61/98/92/810619892.db2.gz OPDDOYHSBMQADR-JTQLQIEISA-N 2 1 250.371 2.169 50 0 CEAAMP O=C1CC[C@@H]([NH2+]C2(C[NH+]3CCCC3)CCCCC2)CCN1 ZINC000828305420 810801510 /nfs/dbraw/zinc/80/15/10/810801510.db2.gz MUIFWRCLGWMAIV-OAHLLOKOSA-N 2 1 293.455 2.043 50 0 CEAAMP Cc1cccc(NC2=[NH+]C3(CCCC3)NC(=[NH2+])N2)c1 ZINC000095531936 185005189 /nfs/dbraw/zinc/00/51/89/185005189.db2.gz VXGAQGGXIBKGNF-UHFFFAOYSA-N 2 1 257.341 2.161 50 0 CEAAMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000095962567 185044151 /nfs/dbraw/zinc/04/41/51/185044151.db2.gz NGHFUYCRJMOKBD-OAHLLOKOSA-N 2 1 274.408 2.048 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3sc(C)cn23)C1 ZINC000037644365 361918691 /nfs/dbraw/zinc/91/86/91/361918691.db2.gz LPFXVTKYWSBGDM-CYBMUJFWSA-N 2 1 292.452 2.444 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3sc(C)cn23)C1 ZINC000037644365 361918696 /nfs/dbraw/zinc/91/86/96/361918696.db2.gz LPFXVTKYWSBGDM-CYBMUJFWSA-N 2 1 292.452 2.444 50 0 CEAAMP C[NH+](C)C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000164004895 136553727 /nfs/dbraw/zinc/55/37/27/136553727.db2.gz NOYVUOZOOHBTLT-UHFFFAOYSA-N 2 1 284.201 2.375 50 0 CEAAMP CCOc1ccc2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)ccc2c1 ZINC000065422842 362820375 /nfs/dbraw/zinc/82/03/75/362820375.db2.gz DLKBHHCGTDDXBD-ZDUSSCGKSA-N 2 1 285.391 2.414 50 0 CEAAMP CC(C)c1csc(C[N@@H+]2CC[C@@H](C[NH+](C)C)[C@H](O)C2)n1 ZINC000670469180 540426581 /nfs/dbraw/zinc/42/65/81/540426581.db2.gz MSQCNJVSBFCCRV-GXTWGEPZSA-N 2 1 297.468 2.011 50 0 CEAAMP CC(C)c1csc(C[N@H+]2CC[C@@H](C[NH+](C)C)[C@H](O)C2)n1 ZINC000670469180 540426584 /nfs/dbraw/zinc/42/65/84/540426584.db2.gz MSQCNJVSBFCCRV-GXTWGEPZSA-N 2 1 297.468 2.011 50 0 CEAAMP Cc1cccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000097163380 364468839 /nfs/dbraw/zinc/46/88/39/364468839.db2.gz OGWWQGQNEXGVJH-INIZCTEOSA-N 2 1 289.423 2.471 50 0 CEAAMP COc1ccc(CC[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000244716217 370796130 /nfs/dbraw/zinc/79/61/30/370796130.db2.gz LKSWHIGMAPQIBN-HNNXBMFYSA-N 2 1 292.423 2.130 50 0 CEAAMP COc1ccc(CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000244716217 370796135 /nfs/dbraw/zinc/79/61/35/370796135.db2.gz LKSWHIGMAPQIBN-HNNXBMFYSA-N 2 1 292.423 2.130 50 0 CEAAMP CC(C)Cn1cncc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000244735135 370797307 /nfs/dbraw/zinc/79/73/07/370797307.db2.gz NTJGDHZCTSFLPW-UHFFFAOYSA-N 2 1 276.428 2.115 50 0 CEAAMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358249996 370971258 /nfs/dbraw/zinc/97/12/58/370971258.db2.gz KRVUXSIRONEJNX-HOTGVXAUSA-N 2 1 259.397 2.149 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH2+]C)C2)C[C@@H]1C ZINC000221910236 370247529 /nfs/dbraw/zinc/24/75/29/370247529.db2.gz MERLYXYDMMVPAD-LJISPDSOSA-N 2 1 282.428 2.038 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH2+]C)C2)C[C@@H]1C ZINC000221910236 370247533 /nfs/dbraw/zinc/24/75/33/370247533.db2.gz MERLYXYDMMVPAD-LJISPDSOSA-N 2 1 282.428 2.038 50 0 CEAAMP COCC[NH2+]C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019735514 285082079 /nfs/dbraw/zinc/08/20/79/285082079.db2.gz YWJBFFLJYSZCJL-OAHLLOKOSA-N 2 1 288.435 2.102 50 0 CEAAMP CC(C)([NH3+])C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000072158820 176329561 /nfs/dbraw/zinc/32/95/61/176329561.db2.gz RXATWTBHZPCSGD-UHFFFAOYSA-N 2 1 265.376 2.075 50 0 CEAAMP CC(C)([NH3+])C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000072158820 176329562 /nfs/dbraw/zinc/32/95/62/176329562.db2.gz RXATWTBHZPCSGD-UHFFFAOYSA-N 2 1 265.376 2.075 50 0 CEAAMP Cc1nc[nH]c1C[NH2+]CCCn1cc[nH+]c1C(C)C ZINC000952990597 815096672 /nfs/dbraw/zinc/09/66/72/815096672.db2.gz WKDTWOMTDBXLJX-UHFFFAOYSA-N 2 1 261.373 2.218 50 0 CEAAMP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)CCc2nccn2C)C1 ZINC000823688768 810626009 /nfs/dbraw/zinc/62/60/09/810626009.db2.gz KCBWTGOMCNEGEZ-HNNXBMFYSA-N 2 1 278.444 2.015 50 0 CEAAMP CC(C)[NH+]1CCC[C@@H](C[N@H+](C)CCc2nccn2C)C1 ZINC000823688768 810626015 /nfs/dbraw/zinc/62/60/15/810626015.db2.gz KCBWTGOMCNEGEZ-HNNXBMFYSA-N 2 1 278.444 2.015 50 0 CEAAMP CC(C)[NH+]1CCC[C@@H](C[N@@H+](C)CCc2nccn2C)C1 ZINC000823688768 810626021 /nfs/dbraw/zinc/62/60/21/810626021.db2.gz KCBWTGOMCNEGEZ-HNNXBMFYSA-N 2 1 278.444 2.015 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000095967173 185047078 /nfs/dbraw/zinc/04/70/78/185047078.db2.gz IJQQGSMMULGQFA-UMVBOHGHSA-N 2 1 290.407 2.276 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000095981747 185054547 /nfs/dbraw/zinc/05/45/47/185054547.db2.gz AXJILKPMDXNFSK-UHFFFAOYSA-N 2 1 279.428 2.455 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(O)CCC(C)CC1 ZINC000095981747 185054548 /nfs/dbraw/zinc/05/45/48/185054548.db2.gz AXJILKPMDXNFSK-UHFFFAOYSA-N 2 1 279.428 2.455 50 0 CEAAMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000096484333 529918132 /nfs/dbraw/zinc/91/81/32/529918132.db2.gz IAGPRELHNZUHRI-ZIAGYGMSSA-N 2 1 297.443 2.070 50 0 CEAAMP CCO[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103366 344243332 /nfs/dbraw/zinc/24/33/32/344243332.db2.gz KVSGZWYYLHNBNQ-OAHLLOKOSA-N 2 1 254.418 2.363 50 0 CEAAMP CCO[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103366 344243334 /nfs/dbraw/zinc/24/33/34/344243334.db2.gz KVSGZWYYLHNBNQ-OAHLLOKOSA-N 2 1 254.418 2.363 50 0 CEAAMP Fc1ccccc1N1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000426421996 283029512 /nfs/dbraw/zinc/02/95/12/283029512.db2.gz PYTJYWHFHWTNSU-SUMWQHHRSA-N 2 1 289.398 2.088 50 0 CEAAMP COCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076089714 363518925 /nfs/dbraw/zinc/51/89/25/363518925.db2.gz JXXFGBPIOWXWLE-MRXNPFEDSA-N 2 1 262.397 2.087 50 0 CEAAMP COCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076089714 363518929 /nfs/dbraw/zinc/51/89/29/363518929.db2.gz JXXFGBPIOWXWLE-MRXNPFEDSA-N 2 1 262.397 2.087 50 0 CEAAMP COCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076089714 363518933 /nfs/dbraw/zinc/51/89/33/363518933.db2.gz JXXFGBPIOWXWLE-MRXNPFEDSA-N 2 1 262.397 2.087 50 0 CEAAMP NC(=[NH2+])NC(=[NH2+])Nc1cc(Cl)c(Cl)cc1Cl ZINC000000089494 361126406 /nfs/dbraw/zinc/12/64/06/361126406.db2.gz BLKPORUHCPWUPZ-UHFFFAOYSA-N 2 1 280.546 2.477 50 0 CEAAMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196883 361305533 /nfs/dbraw/zinc/30/55/33/361305533.db2.gz RSTSMVMSMDWOHJ-YRGRVCCFSA-N 2 1 276.380 2.234 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196883 361305540 /nfs/dbraw/zinc/30/55/40/361305540.db2.gz RSTSMVMSMDWOHJ-YRGRVCCFSA-N 2 1 276.380 2.234 50 0 CEAAMP C[NH+]1CCN(C2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000019889853 361564572 /nfs/dbraw/zinc/56/45/72/361564572.db2.gz KBKVXPMAONWAMD-UHFFFAOYSA-N 2 1 291.414 2.038 50 0 CEAAMP CC(C)OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000089887870 364013514 /nfs/dbraw/zinc/01/35/14/364013514.db2.gz XVVUCXDVMRSAOH-OAHLLOKOSA-N 2 1 254.418 2.362 50 0 CEAAMP CC(C)CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000242324338 370786711 /nfs/dbraw/zinc/78/67/11/370786711.db2.gz ZAFOUZLNEDKSLR-GJZGRUSLSA-N 2 1 254.418 2.266 50 0 CEAAMP CCc1nccn1CC[N@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000244899314 370802901 /nfs/dbraw/zinc/80/29/01/370802901.db2.gz ZHQUFTMCUZFBSL-HNNXBMFYSA-N 2 1 287.411 2.206 50 0 CEAAMP CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000216261512 370186324 /nfs/dbraw/zinc/18/63/24/370186324.db2.gz YYJLLGFWGFQODP-UHFFFAOYSA-N 2 1 282.391 2.361 50 0 CEAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097307712 394699992 /nfs/dbraw/zinc/69/99/92/394699992.db2.gz WMXGHTXHFQCMME-OAHLLOKOSA-N 2 1 288.370 2.325 50 0 CEAAMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000044535839 175198612 /nfs/dbraw/zinc/19/86/12/175198612.db2.gz AIYGGECETMCSMK-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000044535839 175198613 /nfs/dbraw/zinc/19/86/13/175198613.db2.gz AIYGGECETMCSMK-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000072343461 176372185 /nfs/dbraw/zinc/37/21/85/176372185.db2.gz XQJAUQVNKMVBIK-LBPRGKRZSA-N 2 1 269.352 2.391 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CC1(N(C)C)CCCC1 ZINC000534591524 328318399 /nfs/dbraw/zinc/31/83/99/328318399.db2.gz WWWBPVSCUZOHGJ-AWEZNQCLSA-N 2 1 278.444 2.434 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000122052072 528368936 /nfs/dbraw/zinc/36/89/36/528368936.db2.gz MORFSKRFSHHJFC-KGLIPLIRSA-N 2 1 292.427 2.125 50 0 CEAAMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CCO)c1ccccc1 ZINC000863984664 646865334 /nfs/dbraw/zinc/86/53/34/646865334.db2.gz YBAREVMPHJKUCI-XNHLSEOASA-N 2 1 288.435 2.082 50 0 CEAAMP CCc1noc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056522597 362561132 /nfs/dbraw/zinc/56/11/32/362561132.db2.gz SCJIWXBUPIOIRR-GFCCVEGCSA-N 2 1 280.416 2.357 50 0 CEAAMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n(-c2cccnc2)c1 ZINC000067541429 362910631 /nfs/dbraw/zinc/91/06/31/362910631.db2.gz WGJPZKUSUVMTMM-GOSISDBHSA-N 2 1 296.418 2.448 50 0 CEAAMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n(-c2cccnc2)c1 ZINC000067541429 362910635 /nfs/dbraw/zinc/91/06/35/362910635.db2.gz WGJPZKUSUVMTMM-GOSISDBHSA-N 2 1 296.418 2.448 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000675754071 540871253 /nfs/dbraw/zinc/87/12/53/540871253.db2.gz KLYRGDWMDVJGGD-MRXNPFEDSA-N 2 1 284.407 2.450 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000082115166 363751813 /nfs/dbraw/zinc/75/18/13/363751813.db2.gz DCQSRGNHASBGTB-OAHLLOKOSA-N 2 1 287.411 2.195 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000082115166 363751814 /nfs/dbraw/zinc/75/18/14/363751814.db2.gz DCQSRGNHASBGTB-OAHLLOKOSA-N 2 1 287.411 2.195 50 0 CEAAMP Cc1[nH+]cn(C[C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1C ZINC000089547615 363979387 /nfs/dbraw/zinc/97/93/87/363979387.db2.gz VBPOOVBYYVYBQC-NSHDSACASA-N 2 1 287.363 2.407 50 0 CEAAMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([NH3+])CC1)CCC2 ZINC000097099380 364449529 /nfs/dbraw/zinc/44/95/29/364449529.db2.gz SGHPPTVXANDORU-INIZCTEOSA-N 2 1 274.408 2.497 50 0 CEAAMP C[NH2+]CCN(C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000221910578 370247278 /nfs/dbraw/zinc/24/72/78/370247278.db2.gz LRPKXTZCXARHTH-FGTMMUONSA-N 2 1 287.451 2.048 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC000216467869 370188990 /nfs/dbraw/zinc/18/89/90/370188990.db2.gz BTJSBYPUFMMFSH-AWEZNQCLSA-N 2 1 265.401 2.329 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC000216467869 370188996 /nfs/dbraw/zinc/18/89/96/370188996.db2.gz BTJSBYPUFMMFSH-AWEZNQCLSA-N 2 1 265.401 2.329 50 0 CEAAMP COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299771039 379133193 /nfs/dbraw/zinc/13/31/93/379133193.db2.gz RGZUKQKWGAVGQI-HNNXBMFYSA-N 2 1 290.407 2.027 50 0 CEAAMP CC[C@@H](C)C[N@@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299796635 379141844 /nfs/dbraw/zinc/14/18/44/379141844.db2.gz NHYYMBDKQRJPDO-MRXNPFEDSA-N 2 1 295.471 2.053 50 0 CEAAMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094024613 394670454 /nfs/dbraw/zinc/67/04/54/394670454.db2.gz BOPYMNKCBADLIL-UHFFFAOYSA-N 2 1 289.423 2.173 50 0 CEAAMP C[NH+](C)C1(CNC(=O)[C@@]2(C)CC[N@@H+](C)C2)CCCCCC1 ZINC000534642122 328328786 /nfs/dbraw/zinc/32/87/86/328328786.db2.gz PYDLBNROLCUBAX-INIZCTEOSA-N 2 1 295.471 2.099 50 0 CEAAMP Cc1cc(C)c(C[N@H+]2CC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000072437969 327110581 /nfs/dbraw/zinc/11/05/81/327110581.db2.gz XQHPMFYNTZWWPU-QGZVFWFLSA-N 2 1 276.424 2.110 50 0 CEAAMP Cc1cc(C)c(C[N@@H+]2CC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000072437969 327110582 /nfs/dbraw/zinc/11/05/82/327110582.db2.gz XQHPMFYNTZWWPU-QGZVFWFLSA-N 2 1 276.424 2.110 50 0 CEAAMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)n1-c1cccnc1 ZINC000067879503 641351229 /nfs/dbraw/zinc/35/12/29/641351229.db2.gz JPLWCFXQVUPXIC-OAHLLOKOSA-N 2 1 284.407 2.270 50 0 CEAAMP Fc1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000067935197 641358468 /nfs/dbraw/zinc/35/84/68/641358468.db2.gz SQNHFJNGAPPPJJ-MRXNPFEDSA-N 2 1 292.398 2.216 50 0 CEAAMP C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCCO)C2 ZINC000585133706 813696434 /nfs/dbraw/zinc/69/64/34/813696434.db2.gz RSGKOEBQZPTFEG-HDICACEKSA-N 2 1 288.435 2.213 50 0 CEAAMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCCO)C2 ZINC000585133706 813696438 /nfs/dbraw/zinc/69/64/38/813696438.db2.gz RSGKOEBQZPTFEG-HDICACEKSA-N 2 1 288.435 2.213 50 0 CEAAMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCCO)C2 ZINC000585133706 813696443 /nfs/dbraw/zinc/69/64/43/813696443.db2.gz RSGKOEBQZPTFEG-HDICACEKSA-N 2 1 288.435 2.213 50 0 CEAAMP C[N@H+](CCCn1cnc2ccccc21)C1CC[NH+](C)CC1 ZINC000032511687 361741848 /nfs/dbraw/zinc/74/18/48/361741848.db2.gz WIDMMVMVIADDME-UHFFFAOYSA-N 2 1 286.423 2.452 50 0 CEAAMP C[N@@H+](CCCn1cnc2ccccc21)C1CC[NH+](C)CC1 ZINC000032511687 361741851 /nfs/dbraw/zinc/74/18/51/361741851.db2.gz WIDMMVMVIADDME-UHFFFAOYSA-N 2 1 286.423 2.452 50 0 CEAAMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000034651242 361792908 /nfs/dbraw/zinc/79/29/08/361792908.db2.gz BRCNNQZJOQCSBM-GDBMZVCRSA-N 2 1 289.423 2.067 50 0 CEAAMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000047362349 362205774 /nfs/dbraw/zinc/20/57/74/362205774.db2.gz OITOQFOGULWOMR-ZDUSSCGKSA-N 2 1 297.406 2.046 50 0 CEAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000050245309 362412111 /nfs/dbraw/zinc/41/21/11/362412111.db2.gz OSCMBQYBTULVAD-LLVKDONJSA-N 2 1 274.286 2.366 50 0 CEAAMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CN1CCc2ccccc2C1 ZINC000584891490 345000227 /nfs/dbraw/zinc/00/02/27/345000227.db2.gz CFJVBXFOUQEFNG-HNNXBMFYSA-N 2 1 298.434 2.228 50 0 CEAAMP Cc1[nH+]c(N(C)C)nc(NCC[C@@H]2CCC[N@H+]2C)c1C ZINC000065382023 362814337 /nfs/dbraw/zinc/81/43/37/362814337.db2.gz UCENSHRLUQPNIW-ZDUSSCGKSA-N 2 1 277.416 2.056 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336839574 365912460 /nfs/dbraw/zinc/91/24/60/365912460.db2.gz KDYNGKYPVIAAAF-MRXNPFEDSA-N 2 1 286.379 2.130 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336839574 365912462 /nfs/dbraw/zinc/91/24/62/365912462.db2.gz KDYNGKYPVIAAAF-MRXNPFEDSA-N 2 1 286.379 2.130 50 0 CEAAMP CC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067817554 362927124 /nfs/dbraw/zinc/92/71/24/362927124.db2.gz LPJNTVSJHIVUNB-UHFFFAOYSA-N 2 1 272.392 2.465 50 0 CEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccnc2)CC1 ZINC000106781321 186135258 /nfs/dbraw/zinc/13/52/58/186135258.db2.gz JNDKNQBLKPDJNW-HUUCEWRRSA-N 2 1 291.439 2.167 50 0 CEAAMP Cc1cc(C(C)(C)C)ccc1OCCOCC[NH2+]CC[NH3+] ZINC000020118133 361581091 /nfs/dbraw/zinc/58/10/91/361581091.db2.gz YTWHGIBFWUSCEA-UHFFFAOYSA-N 2 1 294.439 2.236 50 0 CEAAMP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090520889 364062426 /nfs/dbraw/zinc/06/24/26/364062426.db2.gz PBRCDWOEHACFRP-XJNFMUPTSA-N 2 1 276.424 2.347 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000244678940 370794913 /nfs/dbraw/zinc/79/49/13/370794913.db2.gz IMSYZLOAJNOZEO-MRXNPFEDSA-N 2 1 287.411 2.333 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000244678940 370794915 /nfs/dbraw/zinc/79/49/15/370794915.db2.gz IMSYZLOAJNOZEO-MRXNPFEDSA-N 2 1 287.411 2.333 50 0 CEAAMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000177189009 368261354 /nfs/dbraw/zinc/26/13/54/368261354.db2.gz YJXMHKPKNFNLPN-AWEZNQCLSA-N 2 1 274.408 2.407 50 0 CEAAMP C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252585603 371458388 /nfs/dbraw/zinc/45/83/88/371458388.db2.gz JTPIPHFYWWHHNE-DZJNRPSUSA-N 2 1 288.435 2.258 50 0 CEAAMP [NH3+][C@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000390750875 375313175 /nfs/dbraw/zinc/31/31/75/375313175.db2.gz SGOLMZVIJBOGJH-INIZCTEOSA-N 2 1 262.397 2.407 50 0 CEAAMP COCc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000426684448 377429011 /nfs/dbraw/zinc/42/90/11/377429011.db2.gz MBTIOTWAEAIBTG-HNNXBMFYSA-N 2 1 292.423 2.273 50 0 CEAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](CCCSC)C2)C1 ZINC000012761441 285031148 /nfs/dbraw/zinc/03/11/48/285031148.db2.gz WSZGGYXCSFWTNL-HNNXBMFYSA-N 2 1 286.485 2.174 50 0 CEAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](CCCSC)C2)C1 ZINC000012761441 285031150 /nfs/dbraw/zinc/03/11/50/285031150.db2.gz WSZGGYXCSFWTNL-HNNXBMFYSA-N 2 1 286.485 2.174 50 0 CEAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](CCCSC)C2)C1 ZINC000012761441 285031152 /nfs/dbraw/zinc/03/11/52/285031152.db2.gz WSZGGYXCSFWTNL-HNNXBMFYSA-N 2 1 286.485 2.174 50 0 CEAAMP Cc1ccsc1C[N@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC000065529129 394575099 /nfs/dbraw/zinc/57/50/99/394575099.db2.gz AKGJIUHQKKWVRP-CQSZACIVSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1ccsc1C[N@@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC000065529129 394575102 /nfs/dbraw/zinc/57/51/02/394575102.db2.gz AKGJIUHQKKWVRP-CQSZACIVSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1ccsc1C[NH+](C)C[C@H]1CCC[N@H+](CCO)C1 ZINC000065529129 394575104 /nfs/dbraw/zinc/57/51/04/394575104.db2.gz AKGJIUHQKKWVRP-CQSZACIVSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1ccsc1C[NH+](C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000065529129 394575107 /nfs/dbraw/zinc/57/51/07/394575107.db2.gz AKGJIUHQKKWVRP-CQSZACIVSA-N 2 1 282.453 2.193 50 0 CEAAMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cnn(C)c2)C[C@@H]1C ZINC000096419586 394686221 /nfs/dbraw/zinc/68/62/21/394686221.db2.gz WWNHGKKGCNTCQZ-HOCLYGCPSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cnn(C)c2)C[C@@H]1C ZINC000096419586 394686224 /nfs/dbraw/zinc/68/62/24/394686224.db2.gz WWNHGKKGCNTCQZ-HOCLYGCPSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cnn(C)c2)C[C@@H]1C ZINC000096419586 394686225 /nfs/dbraw/zinc/68/62/25/394686225.db2.gz WWNHGKKGCNTCQZ-HOCLYGCPSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cnn(C)c2)C[C@@H]1C ZINC000096419587 394686383 /nfs/dbraw/zinc/68/63/83/394686383.db2.gz WWNHGKKGCNTCQZ-GOEBONIOSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cnn(C)c2)C[C@@H]1C ZINC000096419587 394686386 /nfs/dbraw/zinc/68/63/86/394686386.db2.gz WWNHGKKGCNTCQZ-GOEBONIOSA-N 2 1 278.444 2.157 50 0 CEAAMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cnn(C)c2)C[C@@H]1C ZINC000096419587 394686390 /nfs/dbraw/zinc/68/63/90/394686390.db2.gz WWNHGKKGCNTCQZ-GOEBONIOSA-N 2 1 278.444 2.157 50 0 CEAAMP CC(C)[NH2+]CC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000006365018 170195660 /nfs/dbraw/zinc/19/56/60/170195660.db2.gz SSABPRHHQGTZKK-UHFFFAOYSA-N 2 1 287.407 2.386 50 0 CEAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000170612342 279096090 /nfs/dbraw/zinc/09/60/90/279096090.db2.gz MWBWHADSTWGLBP-CVEARBPZSA-N 2 1 268.445 2.345 50 0 CEAAMP c1cnn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000097103361 344242978 /nfs/dbraw/zinc/24/29/78/344242978.db2.gz UQIZQVLSJZUQHS-MRXNPFEDSA-N 2 1 276.428 2.396 50 0 CEAAMP c1cnn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000097103361 344242979 /nfs/dbraw/zinc/24/29/79/344242979.db2.gz UQIZQVLSJZUQHS-MRXNPFEDSA-N 2 1 276.428 2.396 50 0 CEAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000584902167 345003988 /nfs/dbraw/zinc/00/39/88/345003988.db2.gz DKXHNADNSIVSPQ-UHFFFAOYSA-N 2 1 271.364 2.449 50 0 CEAAMP C[C@@H]1C[C@@](O)(CC[NH2+]Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013381834 361426050 /nfs/dbraw/zinc/42/60/50/361426050.db2.gz JKYJLJRYZGZWSE-UXLLHSPISA-N 2 1 276.424 2.258 50 0 CEAAMP C[N@H+](CCCc1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000095405697 364360820 /nfs/dbraw/zinc/36/08/20/364360820.db2.gz WZPZDCAZMZIHOS-UHFFFAOYSA-N 2 1 289.467 2.189 50 0 CEAAMP COc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH3+])CC1)CCC2 ZINC000097099384 364449545 /nfs/dbraw/zinc/44/95/45/364449545.db2.gz SGHPPTVXANDORU-MRXNPFEDSA-N 2 1 274.408 2.497 50 0 CEAAMP C[N@@H+]1CC[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000244724568 370797723 /nfs/dbraw/zinc/79/77/23/370797723.db2.gz MWODQDWXKBWTNB-AWEZNQCLSA-N 2 1 293.842 2.414 50 0 CEAAMP C[N@H+]1CC[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000244724568 370797727 /nfs/dbraw/zinc/79/77/27/370797727.db2.gz MWODQDWXKBWTNB-AWEZNQCLSA-N 2 1 293.842 2.414 50 0 CEAAMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079696 367375784 /nfs/dbraw/zinc/37/57/84/367375784.db2.gz ZUHWDFAWWHHZAP-BXUZGUMPSA-N 2 1 268.788 2.057 50 0 CEAAMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079696 367375787 /nfs/dbraw/zinc/37/57/87/367375787.db2.gz ZUHWDFAWWHHZAP-BXUZGUMPSA-N 2 1 268.788 2.057 50 0 CEAAMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079699 367375914 /nfs/dbraw/zinc/37/59/14/367375914.db2.gz ZUHWDFAWWHHZAP-FZMZJTMJSA-N 2 1 268.788 2.057 50 0 CEAAMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079699 367375916 /nfs/dbraw/zinc/37/59/16/367375916.db2.gz ZUHWDFAWWHHZAP-FZMZJTMJSA-N 2 1 268.788 2.057 50 0 CEAAMP CC[NH+]1CCC([NH2+][C@@H]2COCC[C@@H]2OCC=C(C)C)CC1 ZINC000223933348 370273146 /nfs/dbraw/zinc/27/31/46/370273146.db2.gz SGLGWPVIRVKFLJ-SJORKVTESA-N 2 1 296.455 2.201 50 0 CEAAMP Cn1ccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc21 ZINC000426478845 377410396 /nfs/dbraw/zinc/41/03/96/377410396.db2.gz FLFZYJFPAMSDRK-SCAQPMJSSA-N 2 1 269.392 2.347 50 0 CEAAMP CC(C)OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000089887868 394650606 /nfs/dbraw/zinc/65/06/06/394650606.db2.gz XVVUCXDVMRSAOH-HNNXBMFYSA-N 2 1 254.418 2.362 50 0 CEAAMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426574829 395077588 /nfs/dbraw/zinc/07/75/88/395077588.db2.gz UWMUMFSQXVJDPZ-GFCCVEGCSA-N 2 1 279.815 2.342 50 0 CEAAMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426574829 395077591 /nfs/dbraw/zinc/07/75/91/395077591.db2.gz UWMUMFSQXVJDPZ-GFCCVEGCSA-N 2 1 279.815 2.342 50 0 CEAAMP Cc1cc(F)ccc1N1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000426712617 395078467 /nfs/dbraw/zinc/07/84/67/395078467.db2.gz KAPAUYUQOIAYCV-OAHLLOKOSA-N 2 1 277.387 2.054 50 0 CEAAMP CCc1csc(CC[NH2+][C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000584884353 395665779 /nfs/dbraw/zinc/66/57/79/395665779.db2.gz KDJBSMICFYAPIE-NSHDSACASA-N 2 1 278.425 2.431 50 0 CEAAMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000037408197 173184001 /nfs/dbraw/zinc/18/40/01/173184001.db2.gz IHVIGPUBNCNSGI-CYBMUJFWSA-N 2 1 290.407 2.278 50 0 CEAAMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000037408197 173184003 /nfs/dbraw/zinc/18/40/03/173184003.db2.gz IHVIGPUBNCNSGI-CYBMUJFWSA-N 2 1 290.407 2.278 50 0 CEAAMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC000071384710 176147102 /nfs/dbraw/zinc/14/71/02/176147102.db2.gz AMMRMUQDXZHKII-MRXNPFEDSA-N 2 1 295.471 2.099 50 0 CEAAMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000252536581 276802480 /nfs/dbraw/zinc/80/24/80/276802480.db2.gz IXIYYVNIIYHOBR-PMPSAXMXSA-N 2 1 276.424 2.081 50 0 CEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc(C)cs1 ZINC000534588186 328316631 /nfs/dbraw/zinc/31/66/31/328316631.db2.gz OLURYVBFSLJSFL-NSHDSACASA-N 2 1 278.425 2.431 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@H]1CCOC1 ZINC000952861420 815071608 /nfs/dbraw/zinc/07/16/08/815071608.db2.gz FLIARYWVOZVVTI-CYBMUJFWSA-N 2 1 251.374 2.023 50 0 CEAAMP Cc1cccc(C[N@@H+](C)CC2CC[NH+](CCO)CC2)c1 ZINC000069847094 363007373 /nfs/dbraw/zinc/00/73/73/363007373.db2.gz NPQBXJOAHBMEIK-UHFFFAOYSA-N 2 1 276.424 2.131 50 0 CEAAMP C[C@@H]1C[C@](O)(CC[NH2+]Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013381836 361425914 /nfs/dbraw/zinc/42/59/14/361425914.db2.gz JKYJLJRYZGZWSE-ZMSDIMECSA-N 2 1 276.424 2.258 50 0 CEAAMP Cc1[nH+]ccn1Cc1cccc(C[NH2+]Cc2cnn(C)c2)c1 ZINC000097159100 364468176 /nfs/dbraw/zinc/46/81/76/364468176.db2.gz OVWGISSPICHION-UHFFFAOYSA-N 2 1 295.390 2.263 50 0 CEAAMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079693 367376083 /nfs/dbraw/zinc/37/60/83/367376083.db2.gz ZUHWDFAWWHHZAP-SMDDNHRTSA-N 2 1 268.788 2.057 50 0 CEAAMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000170079693 367376087 /nfs/dbraw/zinc/37/60/87/367376087.db2.gz ZUHWDFAWWHHZAP-SMDDNHRTSA-N 2 1 268.788 2.057 50 0 CEAAMP C[N@@H+]1C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2C1 ZINC000193596756 369959488 /nfs/dbraw/zinc/95/94/88/369959488.db2.gz YVRSJGDVYKPAGT-TXEJJXNPSA-N 2 1 268.763 2.473 50 0 CEAAMP C[NH+](C)Cc1csc(C[N@@H+](C)CCn2ccnc2)c1 ZINC000215290606 370175043 /nfs/dbraw/zinc/17/50/43/370175043.db2.gz UUWOICIHPLUKMS-UHFFFAOYSA-N 2 1 278.425 2.138 50 0 CEAAMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000248117110 371161914 /nfs/dbraw/zinc/16/19/14/371161914.db2.gz LVVBSCZNMLIQFW-HUUCEWRRSA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000248117110 371161928 /nfs/dbraw/zinc/16/19/28/371161928.db2.gz LVVBSCZNMLIQFW-HUUCEWRRSA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000248117110 371161933 /nfs/dbraw/zinc/16/19/33/371161933.db2.gz LVVBSCZNMLIQFW-HUUCEWRRSA-N 2 1 254.418 2.362 50 0 CEAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@H]1C ZINC000252512717 371452233 /nfs/dbraw/zinc/45/22/33/371452233.db2.gz VALKFTSSVGGYAN-CWVYHPPDSA-N 2 1 266.429 2.406 50 0 CEAAMP CC(C)([NH3+])C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000261776981 371728220 /nfs/dbraw/zinc/72/82/20/371728220.db2.gz NNZZJHDLLTXSNE-UHFFFAOYSA-N 2 1 276.424 2.041 50 0 CEAAMP [NH3+]C[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941927 394466776 /nfs/dbraw/zinc/46/67/76/394466776.db2.gz MGIDJIAQVXHRBE-QGZVFWFLSA-N 2 1 287.451 2.322 50 0 CEAAMP [NH3+]C[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941927 394466781 /nfs/dbraw/zinc/46/67/81/394466781.db2.gz MGIDJIAQVXHRBE-QGZVFWFLSA-N 2 1 287.451 2.322 50 0 CEAAMP CC(C)=CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000104376963 400261752 /nfs/dbraw/zinc/26/17/52/400261752.db2.gz BEDHFBPMJJPIIS-INIZCTEOSA-N 2 1 265.445 2.055 50 0 CEAAMP CC(C)=CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000104376963 400261754 /nfs/dbraw/zinc/26/17/54/400261754.db2.gz BEDHFBPMJJPIIS-INIZCTEOSA-N 2 1 265.445 2.055 50 0 CEAAMP CC[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000020453940 171208425 /nfs/dbraw/zinc/20/84/25/171208425.db2.gz PAPGBXXIOWRPRA-KRWDZBQOSA-N 2 1 276.424 2.384 50 0 CEAAMP COc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408265 173185260 /nfs/dbraw/zinc/18/52/60/173185260.db2.gz FCDXGZFHBOXKNJ-CYBMUJFWSA-N 2 1 260.381 2.269 50 0 CEAAMP COc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408265 173185262 /nfs/dbraw/zinc/18/52/62/173185262.db2.gz FCDXGZFHBOXKNJ-CYBMUJFWSA-N 2 1 260.381 2.269 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000036908615 274340659 /nfs/dbraw/zinc/34/06/59/274340659.db2.gz SMTBDCPVJUDWCE-XOUADPBQSA-N 2 1 262.397 2.038 50 0 CEAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)CC[NH+]1CCCCCC1 ZINC000426465384 279173996 /nfs/dbraw/zinc/17/39/96/279173996.db2.gz ACJNBTNOVBXNPJ-AWEZNQCLSA-N 2 1 292.427 2.087 50 0 CEAAMP CC[NH+]1CCC(CCNc2nc(N(C)C)c(C)c[nH+]2)CC1 ZINC000823107358 810605370 /nfs/dbraw/zinc/60/53/70/810605370.db2.gz CTCLXRKZCVLDFR-UHFFFAOYSA-N 2 1 291.443 2.385 50 0 CEAAMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000685939651 539306199 /nfs/dbraw/zinc/30/61/99/539306199.db2.gz MNWLZHUBNULJSA-JONQDZQNSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000685939651 539306201 /nfs/dbraw/zinc/30/62/01/539306201.db2.gz MNWLZHUBNULJSA-JONQDZQNSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC000685939651 539306202 /nfs/dbraw/zinc/30/62/02/539306202.db2.gz MNWLZHUBNULJSA-JONQDZQNSA-N 2 1 265.445 2.076 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1cc(C2CC2)n[nH]1 ZINC000584885790 344997559 /nfs/dbraw/zinc/99/75/59/344997559.db2.gz MQLWVYWOMHSBMX-LLVKDONJSA-N 2 1 273.384 2.360 50 0 CEAAMP CC[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](C)C1 ZINC000065376132 362812045 /nfs/dbraw/zinc/81/20/45/362812045.db2.gz ABIUMVGXFXIFEG-HNNXBMFYSA-N 2 1 274.408 2.395 50 0 CEAAMP CC[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@H+](C)C1 ZINC000065376132 362812048 /nfs/dbraw/zinc/81/20/48/362812048.db2.gz ABIUMVGXFXIFEG-HNNXBMFYSA-N 2 1 274.408 2.395 50 0 CEAAMP CC[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@@H+](C)C1 ZINC000065376132 362812051 /nfs/dbraw/zinc/81/20/51/362812051.db2.gz ABIUMVGXFXIFEG-HNNXBMFYSA-N 2 1 274.408 2.395 50 0 CEAAMP c1csc(C[N@@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000072431848 363135774 /nfs/dbraw/zinc/13/57/74/363135774.db2.gz UUCDXTRAIIGPHB-OAHLLOKOSA-N 2 1 293.480 2.255 50 0 CEAAMP C[NH+]1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000016663211 361495749 /nfs/dbraw/zinc/49/57/49/361495749.db2.gz MCBJBFJZGAHDNZ-UHFFFAOYSA-N 2 1 257.381 2.394 50 0 CEAAMP Cn1cncc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237933885 370760040 /nfs/dbraw/zinc/76/00/40/370760040.db2.gz ZEMHYKIKHHUQTI-QGZVFWFLSA-N 2 1 298.434 2.074 50 0 CEAAMP Cn1cncc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237933885 370760043 /nfs/dbraw/zinc/76/00/43/370760043.db2.gz ZEMHYKIKHHUQTI-QGZVFWFLSA-N 2 1 298.434 2.074 50 0 CEAAMP Cc1ccc[nH+]c1NCCNc1cc(C(C)C)[nH+]c(N)n1 ZINC000095363951 364346519 /nfs/dbraw/zinc/34/65/19/364346519.db2.gz ZEWMZMRYMCBWLV-UHFFFAOYSA-N 2 1 286.383 2.410 50 0 CEAAMP CC1=CCC[C@@H](C)[C@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104732 364450766 /nfs/dbraw/zinc/45/07/66/364450766.db2.gz UTMAEQSGEWWUJG-WBVHZDCISA-N 2 1 280.456 2.367 50 0 CEAAMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104732 364450769 /nfs/dbraw/zinc/45/07/69/364450769.db2.gz UTMAEQSGEWWUJG-WBVHZDCISA-N 2 1 280.456 2.367 50 0 CEAAMP Cc1cnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000097200557 364476003 /nfs/dbraw/zinc/47/60/03/364476003.db2.gz ZWAIRHIGHFXMBK-HNNXBMFYSA-N 2 1 297.406 2.422 50 0 CEAAMP CS[C@@H](C)CC[N@H+](C)CCCc1[nH+]ccn1C ZINC000215001575 370171615 /nfs/dbraw/zinc/17/16/15/370171615.db2.gz HPORIOMWFWEPTJ-LBPRGKRZSA-N 2 1 255.431 2.426 50 0 CEAAMP CS[C@@H](C)CC[N@@H+](C)CCCc1[nH+]ccn1C ZINC000215001575 370171618 /nfs/dbraw/zinc/17/16/18/370171618.db2.gz HPORIOMWFWEPTJ-LBPRGKRZSA-N 2 1 255.431 2.426 50 0 CEAAMP C[NH+](C)Cc1ccccc1C[N@H+](C)Cc1cccnc1N ZINC000215205397 370172919 /nfs/dbraw/zinc/17/29/19/370172919.db2.gz WYYPEXHKPROMKU-UHFFFAOYSA-N 2 1 284.407 2.357 50 0 CEAAMP C[NH+](C)Cc1ccccc1C[N@@H+](C)Cc1cccnc1N ZINC000215205397 370172924 /nfs/dbraw/zinc/17/29/24/370172924.db2.gz WYYPEXHKPROMKU-UHFFFAOYSA-N 2 1 284.407 2.357 50 0 CEAAMP [NH3+]CC1(O)CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000643053527 372937210 /nfs/dbraw/zinc/93/72/10/372937210.db2.gz WZPRLFDOQWUUDE-UHFFFAOYSA-N 2 1 291.782 2.178 50 0 CEAAMP Cc1cc(F)ccc1N1CCC([N@H+]2CCC[NH2+]CC2)CC1 ZINC000426523356 377414178 /nfs/dbraw/zinc/41/41/78/377414178.db2.gz DPFXBNQGDGFCDN-UHFFFAOYSA-N 2 1 291.414 2.398 50 0 CEAAMP C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299760599 379130184 /nfs/dbraw/zinc/13/01/84/379130184.db2.gz VHBSURQROMRGLL-UHFFFAOYSA-N 2 1 297.402 2.238 50 0 CEAAMP Cc1cccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000000203739 394448193 /nfs/dbraw/zinc/44/81/93/394448193.db2.gz XNYMRFXNQINRFX-UHFFFAOYSA-N 2 1 271.368 2.341 50 0 CEAAMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000195548193 395467926 /nfs/dbraw/zinc/46/79/26/395467926.db2.gz FWZFCNZYDPMRIS-QZTJIDSGSA-N 2 1 291.483 2.445 50 0 CEAAMP CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000071905401 176296347 /nfs/dbraw/zinc/29/63/47/176296347.db2.gz BKPORFLQZCBMKX-JYJNAYRXSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071905401 176296349 /nfs/dbraw/zinc/29/63/49/176296349.db2.gz BKPORFLQZCBMKX-JYJNAYRXSA-N 2 1 268.445 2.344 50 0 CEAAMP CC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000071905401 176296350 /nfs/dbraw/zinc/29/63/50/176296350.db2.gz BKPORFLQZCBMKX-JYJNAYRXSA-N 2 1 268.445 2.344 50 0 CEAAMP COC[C@@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)cs2)C1 ZINC000215983677 419461760 /nfs/dbraw/zinc/46/17/60/419461760.db2.gz VCOOICUBLWNCNL-GFCCVEGCSA-N 2 1 268.426 2.278 50 0 CEAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1cccc2nonc21 ZINC000952985990 615777422 /nfs/dbraw/zinc/77/74/22/615777422.db2.gz VICRXFNXUNUVHB-UHFFFAOYSA-N 2 1 285.351 2.162 50 0 CEAAMP CC(C)(C[N@H+]1CC[C@@H](CO)C1)C[NH+]1CCCCCC1 ZINC000828713489 807423762 /nfs/dbraw/zinc/42/37/62/807423762.db2.gz AIYBQCCTRAJVIL-OAHLLOKOSA-N 2 1 268.445 2.203 50 0 CEAAMP C[C@H](C(=O)NCC1CC[NH+](C)CC1)[N@@H+](C)C1CCCCC1 ZINC000823759345 810627264 /nfs/dbraw/zinc/62/72/64/810627264.db2.gz QXFWBNUQEVIPIM-CQSZACIVSA-N 2 1 295.471 2.097 50 0 CEAAMP C[C@@H](CC[NH2+]Cc1ccnn1-c1ccc(F)cc1)[NH+](C)C ZINC000585140400 345007830 /nfs/dbraw/zinc/00/78/30/345007830.db2.gz DBUHLTUOVRQEFH-ZDUSSCGKSA-N 2 1 290.386 2.441 50 0 CEAAMP Cc1c[nH+]c(N)nc1NCC1CC[NH+](C2CCCC2)CC1 ZINC000091473841 180165442 /nfs/dbraw/zinc/16/54/42/180165442.db2.gz OVWAIRLLBLQVLF-UHFFFAOYSA-N 2 1 289.427 2.434 50 0 CEAAMP CCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000222036723 283321459 /nfs/dbraw/zinc/32/14/59/283321459.db2.gz XANKROQHDXNCCL-HOTGVXAUSA-N 2 1 265.445 2.077 50 0 CEAAMP CCCCSc1nc(N2CC[C@@H]([NH+](C)C)C2)cc(N)[nH+]1 ZINC000095355047 364343165 /nfs/dbraw/zinc/34/31/65/364343165.db2.gz AEPNABPDJJJJDA-LLVKDONJSA-N 2 1 295.456 2.091 50 0 CEAAMP CCC[NH+]1CCC(N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000097022014 364427645 /nfs/dbraw/zinc/42/76/45/364427645.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 2 1 267.461 2.134 50 0 CEAAMP CCOc1cccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])c1 ZINC000244788022 370799511 /nfs/dbraw/zinc/79/95/11/370799511.db2.gz QHXIWDWRDOVNMW-HALDLXJZSA-N 2 1 290.407 2.133 50 0 CEAAMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000193338786 369927969 /nfs/dbraw/zinc/92/79/69/369927969.db2.gz HGZHQAADWWPYPS-AWEZNQCLSA-N 2 1 285.395 2.260 50 0 CEAAMP CCOC(=O)N1CCC([N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000221704648 370243698 /nfs/dbraw/zinc/24/36/98/370243698.db2.gz BDFCTEXMTHLDGN-DZGCQCFKSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000221704648 370243707 /nfs/dbraw/zinc/24/37/07/370243707.db2.gz BDFCTEXMTHLDGN-DZGCQCFKSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000221704648 370243714 /nfs/dbraw/zinc/24/37/14/370243714.db2.gz BDFCTEXMTHLDGN-DZGCQCFKSA-N 2 1 297.443 2.022 50 0 CEAAMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221704648 370243723 /nfs/dbraw/zinc/24/37/23/370243723.db2.gz BDFCTEXMTHLDGN-DZGCQCFKSA-N 2 1 297.443 2.022 50 0 CEAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000216467824 370189285 /nfs/dbraw/zinc/18/92/85/370189285.db2.gz BTJSBYPUFMMFSH-CQSZACIVSA-N 2 1 265.401 2.329 50 0 CEAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000216467824 370189288 /nfs/dbraw/zinc/18/92/88/370189288.db2.gz BTJSBYPUFMMFSH-CQSZACIVSA-N 2 1 265.401 2.329 50 0 CEAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000253370511 371511274 /nfs/dbraw/zinc/51/12/74/371511274.db2.gz RWOYFWYYKMTVCR-CAOSSQGBSA-N 2 1 268.445 2.369 50 0 CEAAMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000299787323 379140229 /nfs/dbraw/zinc/14/02/29/379140229.db2.gz VXFPXHDRDHZBPS-CVEARBPZSA-N 2 1 288.391 2.047 50 0 CEAAMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000299787323 379140236 /nfs/dbraw/zinc/14/02/36/379140236.db2.gz VXFPXHDRDHZBPS-CVEARBPZSA-N 2 1 288.391 2.047 50 0 CEAAMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236723242 394486567 /nfs/dbraw/zinc/48/65/67/394486567.db2.gz VNKHRGGRTTZTHI-XHSDSOJGSA-N 2 1 295.471 2.083 50 0 CEAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccs2)CC1 ZINC000069658990 287086054 /nfs/dbraw/zinc/08/60/54/287086054.db2.gz OFKKQTCKFCUXAN-CQSZACIVSA-N 2 1 296.480 2.315 50 0 CEAAMP CC(C)C[N@H+]1CCC[C@@H](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000067723034 277390202 /nfs/dbraw/zinc/39/02/02/277390202.db2.gz KBGLJDQGIPFZFE-HNNXBMFYSA-N 2 1 295.471 2.132 50 0 CEAAMP Cc1cc(C)n(-c2ccccc2C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000534647958 328343063 /nfs/dbraw/zinc/34/30/63/328343063.db2.gz DKKZXNKLLABEIY-HNNXBMFYSA-N 2 1 284.407 2.270 50 0 CEAAMP CC(C)c1ncc(C[NH2+]C[C@]2(C)CC[N@H+](C)C2)cn1 ZINC000952983894 614324241 /nfs/dbraw/zinc/32/42/41/614324241.db2.gz RZCSANRLJRBDJA-HNNXBMFYSA-N 2 1 262.401 2.031 50 0 CEAAMP CC(C)c1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](C)C2)cn1 ZINC000952983894 614324242 /nfs/dbraw/zinc/32/42/42/614324242.db2.gz RZCSANRLJRBDJA-HNNXBMFYSA-N 2 1 262.401 2.031 50 0 CEAAMP Cc1[nH+]ccn1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000827861418 810761705 /nfs/dbraw/zinc/76/17/05/810761705.db2.gz HYCSOZKEYAVIOO-UHFFFAOYSA-N 2 1 298.390 2.426 50 0 CEAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000036908613 361870604 /nfs/dbraw/zinc/87/06/04/361870604.db2.gz SMTBDCPVJUDWCE-VDERGJSUSA-N 2 1 262.397 2.038 50 0 CEAAMP CCOc1ccc(Cl)cc1C[NH2+]CCC[NH2+]C ZINC000057364356 362579613 /nfs/dbraw/zinc/57/96/13/362579613.db2.gz SCYYBYVKPVHXFZ-UHFFFAOYSA-N 2 1 256.777 2.438 50 0 CEAAMP Cc1cc(NCCc2[nH]cc[nH+]2)nc(N2CCCCC2)[nH+]1 ZINC000065376337 362812178 /nfs/dbraw/zinc/81/21/78/362812178.db2.gz SJMOTVSVVOPTOW-UHFFFAOYSA-N 2 1 286.383 2.153 50 0 CEAAMP CNc1cc[nH+]c(N(C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000065454776 362824099 /nfs/dbraw/zinc/82/40/99/362824099.db2.gz NVHVVHXIQYOPIJ-UHFFFAOYSA-N 2 1 285.395 2.216 50 0 CEAAMP c1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC000019686120 361546199 /nfs/dbraw/zinc/54/61/99/361546199.db2.gz CKOVZNPOYRVLNB-INIZCTEOSA-N 2 1 259.397 2.436 50 0 CEAAMP Cc1ccc(C(C)(C)C)c(OCCOCC[NH2+]CC[NH3+])c1 ZINC000020118630 361581006 /nfs/dbraw/zinc/58/10/06/361581006.db2.gz GKCWMPSYJSMIIC-UHFFFAOYSA-N 2 1 294.439 2.236 50 0 CEAAMP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095429473 364372105 /nfs/dbraw/zinc/37/21/05/364372105.db2.gz ZAFOUZLNEDKSLR-HUUCEWRRSA-N 2 1 254.418 2.266 50 0 CEAAMP Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1C ZINC000097080710 364441161 /nfs/dbraw/zinc/44/11/61/364441161.db2.gz ARGXDENCPOKFFN-ZFWWWQNUSA-N 2 1 290.455 2.471 50 0 CEAAMP Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1C ZINC000097080710 364441164 /nfs/dbraw/zinc/44/11/64/364441164.db2.gz ARGXDENCPOKFFN-ZFWWWQNUSA-N 2 1 290.455 2.471 50 0 CEAAMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104735 364450740 /nfs/dbraw/zinc/45/07/40/364450740.db2.gz UTMAEQSGEWWUJG-DOTOQJQBSA-N 2 1 280.456 2.367 50 0 CEAAMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097104735 364450746 /nfs/dbraw/zinc/45/07/46/364450746.db2.gz UTMAEQSGEWWUJG-DOTOQJQBSA-N 2 1 280.456 2.367 50 0 CEAAMP Cc1ccc(NC[C@@H]2CCN(c3cc(C)[nH+]c(N)n3)C2)[nH+]c1 ZINC000097200949 364475797 /nfs/dbraw/zinc/47/57/97/364475797.db2.gz NKUSSFWTFKTNBI-ZDUSSCGKSA-N 2 1 298.394 2.009 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCn3cccn3)C2)c1 ZINC000097200812 364476489 /nfs/dbraw/zinc/47/64/89/364476489.db2.gz BNAREUFNCLRMRE-OAHLLOKOSA-N 2 1 285.395 2.021 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCn3cccn3)C2)c1 ZINC000097200812 364476493 /nfs/dbraw/zinc/47/64/93/364476493.db2.gz BNAREUFNCLRMRE-OAHLLOKOSA-N 2 1 285.395 2.021 50 0 CEAAMP C[N@H+](Cc1ccc(CC[NH3+])cc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000214992553 370171923 /nfs/dbraw/zinc/17/19/23/370171923.db2.gz KMROJHSRSJMDCM-QGZVFWFLSA-N 3 1 289.467 2.350 50 0 CEAAMP C[NH+](Cc1ccc(CC[NH3+])cc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000214992553 370171927 /nfs/dbraw/zinc/17/19/27/370171927.db2.gz KMROJHSRSJMDCM-QGZVFWFLSA-N 3 1 289.467 2.350 50 0 CEAAMP C[NH+](Cc1ccc(CC[NH3+])cc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000214992553 370171936 /nfs/dbraw/zinc/17/19/36/370171936.db2.gz KMROJHSRSJMDCM-QGZVFWFLSA-N 3 1 289.467 2.350 50 0 CEAAMP CN(Cc1ccc(CC[NH3+])cc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000214992553 370171942 /nfs/dbraw/zinc/17/19/42/370171942.db2.gz KMROJHSRSJMDCM-QGZVFWFLSA-N 2 1 289.467 2.350 50 0 CEAAMP CN(Cc1ccc(CC[NH3+])cc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000214992553 370171946 /nfs/dbraw/zinc/17/19/46/370171946.db2.gz KMROJHSRSJMDCM-QGZVFWFLSA-N 2 1 289.467 2.350 50 0 CEAAMP C=Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000248873376 371260025 /nfs/dbraw/zinc/26/00/25/371260025.db2.gz IQCFUGMDAVJJOT-DOTOQJQBSA-N 2 1 286.423 2.432 50 0 CEAAMP Cc1nnsc1CN(C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000252491603 371445943 /nfs/dbraw/zinc/44/59/43/371445943.db2.gz LOKZSZQSJFTIJP-LLVKDONJSA-N 2 1 268.430 2.009 50 0 CEAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000000280580 394448931 /nfs/dbraw/zinc/44/89/31/394448931.db2.gz MAYDUGYFJRTJIV-HNNXBMFYSA-N 2 1 295.471 2.051 50 0 CEAAMP CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000000280580 394448933 /nfs/dbraw/zinc/44/89/33/394448933.db2.gz MAYDUGYFJRTJIV-HNNXBMFYSA-N 2 1 295.471 2.051 50 0 CEAAMP CN1CCC[N@@H+](C)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000215765030 400305533 /nfs/dbraw/zinc/30/55/33/400305533.db2.gz MGGRBLWJLLJWRD-UHFFFAOYSA-N 2 1 293.480 2.350 50 0 CEAAMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000435868050 281398828 /nfs/dbraw/zinc/39/88/28/281398828.db2.gz BXKXHNZQEDIGQY-OAHLLOKOSA-N 2 1 278.396 2.450 50 0 CEAAMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000435868050 281398830 /nfs/dbraw/zinc/39/88/30/281398830.db2.gz BXKXHNZQEDIGQY-OAHLLOKOSA-N 2 1 278.396 2.450 50 0 CEAAMP CC[NH+]1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032597951 361745105 /nfs/dbraw/zinc/74/51/05/361745105.db2.gz QXJWXGFUFKLZGK-OAHLLOKOSA-N 2 1 254.418 2.362 50 0 CEAAMP CC[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032597951 361745109 /nfs/dbraw/zinc/74/51/09/361745109.db2.gz QXJWXGFUFKLZGK-OAHLLOKOSA-N 2 1 254.418 2.362 50 0 CEAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000069537624 362978910 /nfs/dbraw/zinc/97/89/10/362978910.db2.gz AHVNMBVNVRHDAR-UHFFFAOYSA-N 2 1 276.424 2.477 50 0 CEAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000077438017 363547402 /nfs/dbraw/zinc/54/74/02/363547402.db2.gz GPCVIHUYTQLWEF-GOSISDBHSA-N 2 1 288.435 2.152 50 0 CEAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000077438017 363547408 /nfs/dbraw/zinc/54/74/08/363547408.db2.gz GPCVIHUYTQLWEF-GOSISDBHSA-N 2 1 288.435 2.152 50 0 CEAAMP Cc1nnc(CN2CCC[C@H](Cn3cc[nH+]c3C)C2)s1 ZINC000670453292 540416452 /nfs/dbraw/zinc/41/64/52/540416452.db2.gz JLVWFPRJBFQFNM-ZDUSSCGKSA-N 2 1 291.424 2.264 50 0 CEAAMP Cc1cc(N2CC[NH+](C)CC2)nc(NCc2ccccc2)[nH+]1 ZINC000004860263 361329359 /nfs/dbraw/zinc/32/93/59/361329359.db2.gz LPHVQPDNECOSGZ-UHFFFAOYSA-N 2 1 297.406 2.149 50 0 CEAAMP C[N@H+]1CCCC[C@@H]1CCO[C@@H](C[NH3+])Cc1ccccc1 ZINC000014628656 361459275 /nfs/dbraw/zinc/45/92/75/361459275.db2.gz JURREHZWAKPHTH-IAGOWNOFSA-N 2 1 276.424 2.447 50 0 CEAAMP CC[C@H](C)c1ccccc1OCCOCC[NH2+]CC[NH3+] ZINC000020118536 361580543 /nfs/dbraw/zinc/58/05/43/361580543.db2.gz WUHXKEXOPFGPDY-AWEZNQCLSA-N 2 1 280.412 2.144 50 0 CEAAMP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C2CC[NH+](C)CC2)C1 ZINC000097045702 364430726 /nfs/dbraw/zinc/43/07/26/364430726.db2.gz NRTKPTHAQGEVLC-CZUORRHYSA-N 2 1 268.445 2.248 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccnn3C)C2)[nH+]1 ZINC000241121841 370781742 /nfs/dbraw/zinc/78/17/42/370781742.db2.gz JEFLTDHHEKWJEF-HNNXBMFYSA-N 2 1 299.422 2.100 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccnn3C)C2)[nH+]1 ZINC000241121841 370781750 /nfs/dbraw/zinc/78/17/50/370781750.db2.gz JEFLTDHHEKWJEF-HNNXBMFYSA-N 2 1 299.422 2.100 50 0 CEAAMP CCc1nccn1CC[N@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000244899315 370802493 /nfs/dbraw/zinc/80/24/93/370802493.db2.gz ZHQUFTMCUZFBSL-OAHLLOKOSA-N 2 1 287.411 2.206 50 0 CEAAMP OCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000221770853 370244549 /nfs/dbraw/zinc/24/45/49/370244549.db2.gz MMUWRUWNHDGEMC-FGTMMUONSA-N 2 1 288.435 2.259 50 0 CEAAMP COC[C@@H](C)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000225718961 370313936 /nfs/dbraw/zinc/31/39/36/370313936.db2.gz YNXQRIALMNTBIF-TZMCWYRMSA-N 2 1 297.468 2.240 50 0 CEAAMP CCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250014036 371374645 /nfs/dbraw/zinc/37/46/45/371374645.db2.gz QFFBGIKSYVYBRU-HOTGVXAUSA-N 2 1 265.445 2.077 50 0 CEAAMP COc1ccc(/C=C/C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426431172 377407080 /nfs/dbraw/zinc/40/70/80/377407080.db2.gz WPYTZGPCQCODGW-NWTBTBCRSA-N 2 1 284.403 2.391 50 0 CEAAMP COc1ccc(/C=C/C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426431172 377407089 /nfs/dbraw/zinc/40/70/89/377407089.db2.gz WPYTZGPCQCODGW-NWTBTBCRSA-N 2 1 284.403 2.391 50 0 CEAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000048707868 400207451 /nfs/dbraw/zinc/20/74/51/400207451.db2.gz VRFBXRMPQFEQQV-LBPRGKRZSA-N 2 1 264.417 2.139 50 0 CEAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000048707868 400207453 /nfs/dbraw/zinc/20/74/53/400207453.db2.gz VRFBXRMPQFEQQV-LBPRGKRZSA-N 2 1 264.417 2.139 50 0 CEAAMP C[N@@H+](C/C=C\c1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000104064286 400259826 /nfs/dbraw/zinc/25/98/26/400259826.db2.gz SHRLDVWLOHMAAC-YVMONPNESA-N 2 1 288.435 2.336 50 0 CEAAMP C[C@H](C1CC[NH+](Cc2c[nH]cn2)CC1)[NH+]1CCCC1 ZINC000072407939 176397927 /nfs/dbraw/zinc/39/79/27/176397927.db2.gz WDDJJGDXEQHWAF-CYBMUJFWSA-N 2 1 262.401 2.106 50 0 CEAAMP Cn1ccnc1CN1CCCC[C@H]1CCn1ccnc1 ZINC000077342577 177254827 /nfs/dbraw/zinc/25/48/27/177254827.db2.gz SETUWNPYIMWWNT-AWEZNQCLSA-N 2 1 273.384 2.061 50 0 CEAAMP CC1(C)CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000095422261 278247946 /nfs/dbraw/zinc/24/79/46/278247946.db2.gz SUFMYYOJDFABPR-HUUCEWRRSA-N 2 1 268.445 2.392 50 0 CEAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000534673783 328348800 /nfs/dbraw/zinc/34/88/00/328348800.db2.gz CXMIGDNRPWFFII-ZDUSSCGKSA-N 2 1 273.380 2.116 50 0 CEAAMP COc1ccc(F)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC000097657366 533900797 /nfs/dbraw/zinc/90/07/97/533900797.db2.gz OKYVQLPZGXJYID-LBPRGKRZSA-N 2 1 252.333 2.148 50 0 CEAAMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC000097657366 533900809 /nfs/dbraw/zinc/90/08/09/533900809.db2.gz OKYVQLPZGXJYID-LBPRGKRZSA-N 2 1 252.333 2.148 50 0 CEAAMP C[C@@]12C[NH+](CCCO)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000585133708 813697180 /nfs/dbraw/zinc/69/71/80/813697180.db2.gz RSGKOEBQZPTFEG-ROUUACIJSA-N 2 1 288.435 2.213 50 0 CEAAMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090846705 344144241 /nfs/dbraw/zinc/14/42/41/344144241.db2.gz KRVUXSIRONEJNX-HZPDHXFCSA-N 2 1 259.397 2.149 50 0 CEAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2OCCO2)cc1 ZINC000097238552 344244743 /nfs/dbraw/zinc/24/47/43/344244743.db2.gz MMDQBGDNMHFBCG-LBPRGKRZSA-N 2 1 287.363 2.204 50 0 CEAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OC ZINC000057364350 362579862 /nfs/dbraw/zinc/57/98/62/362579862.db2.gz GTNQQURVCZNHCY-UHFFFAOYSA-N 2 1 287.201 2.157 50 0 CEAAMP Cc1[nH+]ccn1CC1(C[NH2+]C2CSCCSC2)CC1 ZINC000067756663 362922618 /nfs/dbraw/zinc/92/26/18/362922618.db2.gz WEPIFZAAIVSGHO-UHFFFAOYSA-N 2 1 297.493 2.410 50 0 CEAAMP COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069776744 362999019 /nfs/dbraw/zinc/99/90/19/362999019.db2.gz WCCBTNAMHJHSQZ-OAHLLOKOSA-N 2 1 282.428 2.138 50 0 CEAAMP COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069776744 362999023 /nfs/dbraw/zinc/99/90/23/362999023.db2.gz WCCBTNAMHJHSQZ-OAHLLOKOSA-N 2 1 282.428 2.138 50 0 CEAAMP CCn1ccc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc21 ZINC000071754412 363112288 /nfs/dbraw/zinc/11/22/88/363112288.db2.gz JQHKFCCDVBZDOK-CQSZACIVSA-N 2 1 257.381 2.442 50 0 CEAAMP Cc1ccc([C@H](O)C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000097115670 364457717 /nfs/dbraw/zinc/45/77/17/364457717.db2.gz DFLHAIZUYBINGY-QGZVFWFLSA-N 2 1 285.391 2.279 50 0 CEAAMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000241795552 370785519 /nfs/dbraw/zinc/78/55/19/370785519.db2.gz SABXMRQJRIUHDE-HOTGVXAUSA-N 2 1 276.428 2.106 50 0 CEAAMP CC[N@H+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC000245339324 370808499 /nfs/dbraw/zinc/80/84/99/370808499.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC000245339324 370808506 /nfs/dbraw/zinc/80/85/06/370808506.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC000245339324 370808514 /nfs/dbraw/zinc/80/85/14/370808514.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 2 1 279.472 2.322 50 0 CEAAMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000037267067 173076955 /nfs/dbraw/zinc/07/69/55/173076955.db2.gz PSHBTUNWBIERFH-GFCCVEGCSA-N 2 1 278.396 2.449 50 0 CEAAMP CC[C@@H]1CN(Cc2ccc(CC[NH3+])cc2)CC[N@H+]1C(C)C ZINC000072158422 176329483 /nfs/dbraw/zinc/32/94/83/176329483.db2.gz VGSCINGIXQKXQA-GOSISDBHSA-N 2 1 289.467 2.492 50 0 CEAAMP CCn1cc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000072170274 176333093 /nfs/dbraw/zinc/33/30/93/176333093.db2.gz VHSWQQISMLUTGG-UHFFFAOYSA-N 2 1 299.422 2.319 50 0 CEAAMP Cc1cc2c(c(-c3ccc(C)[nH+]c3N)c1)O[C@H](C[NH3+])C2 ZINC000067690828 274725502 /nfs/dbraw/zinc/72/55/02/274725502.db2.gz WHSNMKHEWXIYNY-LBPRGKRZSA-N 2 1 269.348 2.210 50 0 CEAAMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccnc1 ZINC000067879505 641350809 /nfs/dbraw/zinc/35/08/09/641350809.db2.gz JPLWCFXQVUPXIC-HNNXBMFYSA-N 2 1 284.407 2.270 50 0 CEAAMP CCn1ccnc1C[NH2+]CCCn1cc[nH+]c1C(C)C ZINC000952966819 815090358 /nfs/dbraw/zinc/09/03/58/815090358.db2.gz GXPGIDVNSUZFDR-UHFFFAOYSA-N 2 1 275.400 2.403 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000825284196 810716306 /nfs/dbraw/zinc/71/63/06/810716306.db2.gz DZJJGJMTEMTOHZ-MRXNPFEDSA-N 2 1 287.411 2.190 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000825284196 810716311 /nfs/dbraw/zinc/71/63/11/810716311.db2.gz DZJJGJMTEMTOHZ-MRXNPFEDSA-N 2 1 287.411 2.190 50 0 CEAAMP CCc1nccn1CC[N@@H+](C)C[C@H]1CC[NH+](C(C)C)C1 ZINC000243956914 810733437 /nfs/dbraw/zinc/73/34/37/810733437.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 2 1 278.444 2.108 50 0 CEAAMP CCc1nccn1CC[NH+](C)C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000243956914 810733440 /nfs/dbraw/zinc/73/34/40/810733440.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 2 1 278.444 2.108 50 0 CEAAMP CCc1nccn1CC[NH+](C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000243956914 810733449 /nfs/dbraw/zinc/73/34/49/810733449.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 2 1 278.444 2.108 50 0 CEAAMP CC(C)(C[N@H+]1CC[C@H](CO)C1)C[NH+]1CCCCCC1 ZINC000828713475 810835929 /nfs/dbraw/zinc/83/59/29/810835929.db2.gz AIYBQCCTRAJVIL-HNNXBMFYSA-N 2 1 268.445 2.203 50 0 CEAAMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(CO)c2)CC1 ZINC000097238342 344244411 /nfs/dbraw/zinc/24/44/11/344244411.db2.gz NBCGOAFXDVCIKS-UHFFFAOYSA-N 2 1 280.387 2.280 50 0 CEAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000584900027 345003177 /nfs/dbraw/zinc/00/31/77/345003177.db2.gz DIFJWRMSNHGSGT-HNNXBMFYSA-N 2 1 271.364 2.449 50 0 CEAAMP C(CNC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000055413952 362550786 /nfs/dbraw/zinc/55/07/86/362550786.db2.gz RYWYQUUICPACPO-DLBZAZTESA-N 2 1 279.472 2.326 50 0 CEAAMP C(C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000055413952 362550795 /nfs/dbraw/zinc/55/07/95/362550795.db2.gz RYWYQUUICPACPO-DLBZAZTESA-N 3 1 279.472 2.326 50 0 CEAAMP C(C[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000055413952 362550800 /nfs/dbraw/zinc/55/08/00/362550800.db2.gz RYWYQUUICPACPO-DLBZAZTESA-N 3 1 279.472 2.326 50 0 CEAAMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072479976 363138535 /nfs/dbraw/zinc/13/85/35/363138535.db2.gz QPJUPADGYMZIBF-QGZVFWFLSA-N 2 1 287.407 2.056 50 0 CEAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072479976 363138540 /nfs/dbraw/zinc/13/85/40/363138540.db2.gz QPJUPADGYMZIBF-QGZVFWFLSA-N 2 1 287.407 2.056 50 0 CEAAMP C[C@@H]1CCC[N@@H+](CCN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000072312093 363129267 /nfs/dbraw/zinc/12/92/67/363129267.db2.gz YIAUBGKYDGDXLN-SJORKVTESA-N 2 1 279.472 2.279 50 0 CEAAMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000095420371 540162812 /nfs/dbraw/zinc/16/28/12/540162812.db2.gz MNWLZHUBNULJSA-CAOSSQGBSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000095420371 540162815 /nfs/dbraw/zinc/16/28/15/540162815.db2.gz MNWLZHUBNULJSA-CAOSSQGBSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC000095420371 540162818 /nfs/dbraw/zinc/16/28/18/540162818.db2.gz MNWLZHUBNULJSA-CAOSSQGBSA-N 2 1 265.445 2.076 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000670436553 540408835 /nfs/dbraw/zinc/40/88/35/540408835.db2.gz BIHVLPWVFIQPHE-GFCCVEGCSA-N 2 1 291.424 2.142 50 0 CEAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000670436553 540408839 /nfs/dbraw/zinc/40/88/39/540408839.db2.gz BIHVLPWVFIQPHE-GFCCVEGCSA-N 2 1 291.424 2.142 50 0 CEAAMP CC[NH+]1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 ZINC000000221181 361149096 /nfs/dbraw/zinc/14/90/96/361149096.db2.gz LQRIXESLEDICGM-ZDUSSCGKSA-N 2 1 256.434 2.390 50 0 CEAAMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093146870 364146782 /nfs/dbraw/zinc/14/67/82/364146782.db2.gz FWZFCNZYDPMRIS-ZWKOTPCHSA-N 2 1 291.483 2.445 50 0 CEAAMP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)sc1C ZINC000094970079 364320011 /nfs/dbraw/zinc/32/00/11/364320011.db2.gz SQDJXWHCPYKLLL-LBPRGKRZSA-N 2 1 253.415 2.321 50 0 CEAAMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000096441544 364423676 /nfs/dbraw/zinc/42/36/76/364423676.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 2 1 254.418 2.362 50 0 CEAAMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000096441544 364423681 /nfs/dbraw/zinc/42/36/81/364423681.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000096441544 364423687 /nfs/dbraw/zinc/42/36/87/364423687.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 2 1 254.418 2.362 50 0 CEAAMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000096441544 364423691 /nfs/dbraw/zinc/42/36/91/364423691.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 2 1 254.418 2.362 50 0 CEAAMP CC(C)C[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000096477157 364423952 /nfs/dbraw/zinc/42/39/52/364423952.db2.gz MJSUJJUTPUFAEM-OAHLLOKOSA-N 2 1 255.450 2.038 50 0 CEAAMP Cc1c[nH+]c(C[C@H]2CC[NH2+]C2)n1Cc1ccccc1 ZINC000169676764 367369875 /nfs/dbraw/zinc/36/98/75/367369875.db2.gz XAHGPGWRDNIKRW-OAHLLOKOSA-N 2 1 255.365 2.392 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH2+]C)C2)C[C@H]1C ZINC000253370105 371511837 /nfs/dbraw/zinc/51/18/37/371511837.db2.gz MERLYXYDMMVPAD-APIJFGDWSA-N 2 1 282.428 2.038 50 0 CEAAMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH2+]C)C2)C[C@H]1C ZINC000253370105 371511846 /nfs/dbraw/zinc/51/18/46/371511846.db2.gz MERLYXYDMMVPAD-APIJFGDWSA-N 2 1 282.428 2.038 50 0 CEAAMP Cc1cnn(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000426530473 377414250 /nfs/dbraw/zinc/41/42/50/377414250.db2.gz OZFAVPAUGMROGD-UHFFFAOYSA-N 2 1 276.428 2.084 50 0 CEAAMP [NH3+]CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299779415 379136836 /nfs/dbraw/zinc/13/68/36/379136836.db2.gz RHBPUXMHHFVEOY-ZNMIVQPWSA-N 2 1 298.390 2.264 50 0 CEAAMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000096424372 394688313 /nfs/dbraw/zinc/68/83/13/394688313.db2.gz ZKHCNPOHVVPWIL-QGZVFWFLSA-N 2 1 279.472 2.279 50 0 CEAAMP CC(C)=CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000104376969 400262042 /nfs/dbraw/zinc/26/20/42/400262042.db2.gz BEDHFBPMJJPIIS-MRXNPFEDSA-N 2 1 265.445 2.055 50 0 CEAAMP CC(C)=CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000104376969 400262046 /nfs/dbraw/zinc/26/20/46/400262046.db2.gz BEDHFBPMJJPIIS-MRXNPFEDSA-N 2 1 265.445 2.055 50 0 CEAAMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC000071384713 176146972 /nfs/dbraw/zinc/14/69/72/176146972.db2.gz AMMRMUQDXZHKII-INIZCTEOSA-N 2 1 295.471 2.099 50 0 CEAAMP CCC[NH+]1CCC(Nc2cc(N)[nH+]c(SC)n2)CC1 ZINC000124973312 803963108 /nfs/dbraw/zinc/96/31/08/803963108.db2.gz GEEAROOWDXJQQG-UHFFFAOYSA-N 2 1 281.429 2.067 50 0 CEAAMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000096494071 230383599 /nfs/dbraw/zinc/38/35/99/230383599.db2.gz DDAQAJUKXUBQTP-KBRIMQKVSA-N 2 1 292.398 2.382 50 0 CEAAMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000096494071 230383600 /nfs/dbraw/zinc/38/36/00/230383600.db2.gz DDAQAJUKXUBQTP-KBRIMQKVSA-N 2 1 292.398 2.382 50 0 CEAAMP CC[NH+]1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032597954 361745000 /nfs/dbraw/zinc/74/50/00/361745000.db2.gz QXJWXGFUFKLZGK-HNNXBMFYSA-N 2 1 254.418 2.362 50 0 CEAAMP CC[NH+]1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032597954 361745005 /nfs/dbraw/zinc/74/50/05/361745005.db2.gz QXJWXGFUFKLZGK-HNNXBMFYSA-N 2 1 254.418 2.362 50 0 CEAAMP COC[C@@H]1C[N@@H+](Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000169789787 344483091 /nfs/dbraw/zinc/48/30/91/344483091.db2.gz AHGSCLVNQIYWGT-HNNXBMFYSA-N 2 1 292.398 2.274 50 0 CEAAMP CC[NH+](CC)CC1(Nc2nc(N)[nH+]c(C)c2Cl)CC1 ZINC000584886154 344997610 /nfs/dbraw/zinc/99/76/10/344997610.db2.gz JYIURKBMQZBVIG-UHFFFAOYSA-N 2 1 283.807 2.137 50 0 CEAAMP Cc1[nH]c2c([nH+]1)CCN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000670459292 540420592 /nfs/dbraw/zinc/42/05/92/540420592.db2.gz UWPQKKCKVWRTOD-WMLDXEAASA-N 2 1 288.439 2.341 50 0 CEAAMP Cc1[nH]c2c([nH+]1)CCN(C[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000670459292 540420594 /nfs/dbraw/zinc/42/05/94/540420594.db2.gz UWPQKKCKVWRTOD-WMLDXEAASA-N 2 1 288.439 2.341 50 0 CEAAMP Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000097674309 364513561 /nfs/dbraw/zinc/51/35/61/364513561.db2.gz ZHVZWUULXHHUTR-UHFFFAOYSA-N 2 1 268.364 2.107 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000244718793 370796090 /nfs/dbraw/zinc/79/60/90/370796090.db2.gz LQXUHGZMVPILJP-INIZCTEOSA-N 2 1 273.380 2.247 50 0 CEAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccccc1 ZINC000244718793 370796096 /nfs/dbraw/zinc/79/60/96/370796096.db2.gz LQXUHGZMVPILJP-INIZCTEOSA-N 2 1 273.380 2.247 50 0 CEAAMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426574831 395077410 /nfs/dbraw/zinc/07/74/10/395077410.db2.gz UWMUMFSQXVJDPZ-LBPRGKRZSA-N 2 1 279.815 2.342 50 0 CEAAMP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426574831 395077413 /nfs/dbraw/zinc/07/74/13/395077413.db2.gz UWMUMFSQXVJDPZ-LBPRGKRZSA-N 2 1 279.815 2.342 50 0 CEAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000008376946 170333973 /nfs/dbraw/zinc/33/39/73/170333973.db2.gz FVZRCUJPHGPALG-UHFFFAOYSA-N 2 1 272.776 2.056 50 0 CEAAMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000044535841 175198898 /nfs/dbraw/zinc/19/88/98/175198898.db2.gz AIYGGECETMCSMK-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000044535841 175198899 /nfs/dbraw/zinc/19/88/99/175198899.db2.gz AIYGGECETMCSMK-ZDUSSCGKSA-N 2 1 278.396 2.135 50 0 CEAAMP C[N@@H+](CCc1ccccc1)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072145112 176325017 /nfs/dbraw/zinc/32/50/17/176325017.db2.gz FAPAYTDDQRLKAA-UHFFFAOYSA-N 2 1 284.407 2.051 50 0 CEAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC000534576108 328309870 /nfs/dbraw/zinc/30/98/70/328309870.db2.gz XPIDLMZXKZHDEN-CQSZACIVSA-N 2 1 287.411 2.101 50 0 CEAAMP O[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683599 627374659 /nfs/dbraw/zinc/37/46/59/627374659.db2.gz SZVSQICNJKOEAI-GOSISDBHSA-N 2 1 288.435 2.150 50 0 CEAAMP O[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683599 627374663 /nfs/dbraw/zinc/37/46/63/627374663.db2.gz SZVSQICNJKOEAI-GOSISDBHSA-N 2 1 288.435 2.150 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCCn1cc(Cl)cn1 ZINC000821182092 810563515 /nfs/dbraw/zinc/56/35/15/810563515.db2.gz UVVUUHGIUMDXEA-LBPRGKRZSA-N 2 1 295.818 2.500 50 0 CEAAMP COc1ccc(C[N@H+](C)C2CCN(C)CC2)c(OC)c1 ZINC000003684325 343352614 /nfs/dbraw/zinc/35/26/14/343352614.db2.gz MUIFMSUKSBLACZ-UHFFFAOYSA-N 2 1 278.396 2.230 50 0 CEAAMP COc1ccc(C[N@@H+](C)C2CCN(C)CC2)c(OC)c1 ZINC000003684325 343352616 /nfs/dbraw/zinc/35/26/16/343352616.db2.gz MUIFMSUKSBLACZ-UHFFFAOYSA-N 2 1 278.396 2.230 50 0 CEAAMP C[C@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000215641119 344534336 /nfs/dbraw/zinc/53/43/36/344534336.db2.gz VDCSGLCDMSBNDG-LAVFITLUSA-N 2 1 288.435 2.258 50 0 CEAAMP Cc1ccc2[nH]c(C[NH2+]CCC[NH+](C)C)cc(=O)c2c1 ZINC000092021266 180308039 /nfs/dbraw/zinc/30/80/39/180308039.db2.gz SNORWNJJXNJPRF-UHFFFAOYSA-N 2 1 273.380 2.290 50 0 CEAAMP Cc1cnc(C)nc1N1CCC2(CCC[N@H+](C)C2)CC1 ZINC000670454113 540417123 /nfs/dbraw/zinc/41/71/23/540417123.db2.gz CNXGHCDAXDETGQ-UHFFFAOYSA-N 2 1 274.412 2.406 50 0 CEAAMP Cc1nc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000019740873 361550587 /nfs/dbraw/zinc/55/05/87/361550587.db2.gz GCRMWQWLLWYAPN-UHFFFAOYSA-N 2 1 288.420 2.211 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@H+](CCn3cccn3)C2)[nH+]1 ZINC000097200549 364475393 /nfs/dbraw/zinc/47/53/93/364475393.db2.gz POHFWABDFMMDJR-HNNXBMFYSA-N 2 1 285.395 2.021 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)[nH+]1 ZINC000097200549 364475395 /nfs/dbraw/zinc/47/53/95/364475395.db2.gz POHFWABDFMMDJR-HNNXBMFYSA-N 2 1 285.395 2.021 50 0 CEAAMP CSCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195282831 370123139 /nfs/dbraw/zinc/12/31/39/370123139.db2.gz SSRRDVYHIAMMJF-OAHLLOKOSA-N 2 1 279.453 2.198 50 0 CEAAMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000222062893 370248941 /nfs/dbraw/zinc/24/89/41/370248941.db2.gz ASNADAZSBVMWTP-TUVASFSCSA-N 2 1 254.418 2.249 50 0 CEAAMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC([NH+](C)C)CC1 ZINC000225846676 370322415 /nfs/dbraw/zinc/32/24/15/370322415.db2.gz XTKDMYCOWFQFQM-INIZCTEOSA-N 2 1 267.461 2.275 50 0 CEAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H]1C ZINC000252512718 371451409 /nfs/dbraw/zinc/45/14/09/371451409.db2.gz VALKFTSSVGGYAN-JKJDWNRSSA-N 2 1 266.429 2.406 50 0 CEAAMP C1CSC[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC000257670875 371615215 /nfs/dbraw/zinc/61/52/15/371615215.db2.gz DSZMOIQQFOTQEA-ZDUSSCGKSA-N 2 1 254.443 2.348 50 0 CEAAMP C[C@H](CN1CCCCCC1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000426445437 377408309 /nfs/dbraw/zinc/40/83/09/377408309.db2.gz DFBVWKMNGPRLPA-OAHLLOKOSA-N 2 1 275.440 2.499 50 0 CEAAMP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000092077798 135075265 /nfs/dbraw/zinc/07/52/65/135075265.db2.gz CITVPKGPMKDOHZ-AWEZNQCLSA-N 2 1 286.379 2.309 50 0 CEAAMP c1csc([C@@H]2CCC[N@H+]2CCCC[NH+]2CCOCC2)n1 ZINC000020201115 171065505 /nfs/dbraw/zinc/06/55/05/171065505.db2.gz YIUXWBOHSFYOPJ-AWEZNQCLSA-N 2 1 295.452 2.392 50 0 CEAAMP c1csc([C@@H]2CCC[N@@H+]2CCCC[NH+]2CCOCC2)n1 ZINC000020201115 171065507 /nfs/dbraw/zinc/06/55/07/171065507.db2.gz YIUXWBOHSFYOPJ-AWEZNQCLSA-N 2 1 295.452 2.392 50 0 CEAAMP Cc1n[nH]c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000020877514 171277859 /nfs/dbraw/zinc/27/78/59/171277859.db2.gz ZJEYGYIDCCQMMR-UHFFFAOYSA-N 2 1 261.373 2.054 50 0 CEAAMP Cc1n[nH]c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000020877514 171277860 /nfs/dbraw/zinc/27/78/60/171277860.db2.gz ZJEYGYIDCCQMMR-UHFFFAOYSA-N 2 1 261.373 2.054 50 0 CEAAMP C[N@@H+](Cc1ncc[nH]1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000071757082 176260614 /nfs/dbraw/zinc/26/06/14/176260614.db2.gz RYHBWZZHUSWPHF-UHFFFAOYSA-N 2 1 262.401 2.154 50 0 CEAAMP C[N@H+](CCn1ccnc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000299786322 803916545 /nfs/dbraw/zinc/91/65/45/803916545.db2.gz QRFQFXVZQFIYJY-JKSUJKDBSA-N 2 1 276.428 2.079 50 0 CEAAMP C[N@@H+](CCn1ccnc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000299786322 803916555 /nfs/dbraw/zinc/91/65/55/803916555.db2.gz QRFQFXVZQFIYJY-JKSUJKDBSA-N 2 1 276.428 2.079 50 0 CEAAMP C[NH+](CCn1ccnc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000299786322 803916561 /nfs/dbraw/zinc/91/65/61/803916561.db2.gz QRFQFXVZQFIYJY-JKSUJKDBSA-N 2 1 276.428 2.079 50 0 CEAAMP C[NH+](CCn1ccnc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000299786322 803916569 /nfs/dbraw/zinc/91/65/69/803916569.db2.gz QRFQFXVZQFIYJY-JKSUJKDBSA-N 2 1 276.428 2.079 50 0 CEAAMP C[C@H](CN1CCCCCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000821746079 810572174 /nfs/dbraw/zinc/57/21/74/810572174.db2.gz VQAIPXPWKKSTLE-MRXNPFEDSA-N 2 1 279.472 2.326 50 0 CEAAMP C[C@H](C[NH+]1CCCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000821746079 810572178 /nfs/dbraw/zinc/57/21/78/810572178.db2.gz VQAIPXPWKKSTLE-MRXNPFEDSA-N 2 1 279.472 2.326 50 0 CEAAMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122804972 365632624 /nfs/dbraw/zinc/63/26/24/365632624.db2.gz MTROPHONBWNQGK-KBPBESRZSA-N 2 1 297.443 2.116 50 0 CEAAMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000225611493 282133419 /nfs/dbraw/zinc/13/34/19/282133419.db2.gz IXIYYVNIIYHOBR-OAGGEKHMSA-N 2 1 276.424 2.081 50 0 CEAAMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000169789827 344482853 /nfs/dbraw/zinc/48/28/53/344482853.db2.gz TZYLVKWABTYJQX-OAHLLOKOSA-N 2 1 292.423 2.378 50 0 CEAAMP CCOc1ccc(C[N@H+]2CC[C@H](OC)C2)cc1C[NH+](C)C ZINC000670468135 540425360 /nfs/dbraw/zinc/42/53/60/540425360.db2.gz RBCYUBYUKFLKKC-INIZCTEOSA-N 2 1 292.423 2.368 50 0 CEAAMP C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000019112552 361519497 /nfs/dbraw/zinc/51/94/97/361519497.db2.gz DNEYCJQEAASZOC-MRXNPFEDSA-N 2 1 295.471 2.053 50 0 CEAAMP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]C2CC[NH+](C)CC2)C1 ZINC000097045703 364430119 /nfs/dbraw/zinc/43/01/19/364430119.db2.gz NRTKPTHAQGEVLC-XJKSGUPXSA-N 2 1 268.445 2.248 50 0 CEAAMP Cc1nc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cs1 ZINC000244602070 370792609 /nfs/dbraw/zinc/79/26/09/370792609.db2.gz DXBFUISBFOQXSJ-CQSZACIVSA-N 2 1 267.442 2.410 50 0 CEAAMP Cc1nc(CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cs1 ZINC000244602070 370792611 /nfs/dbraw/zinc/79/26/11/370792611.db2.gz DXBFUISBFOQXSJ-CQSZACIVSA-N 2 1 267.442 2.410 50 0 CEAAMP CC[N@H+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000245339325 370809001 /nfs/dbraw/zinc/80/90/01/370809001.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000245339325 370809007 /nfs/dbraw/zinc/80/90/07/370809007.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 2 1 279.472 2.322 50 0 CEAAMP CC[NH+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000245339325 370809012 /nfs/dbraw/zinc/80/90/12/370809012.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 2 1 279.472 2.322 50 0 CEAAMP COc1c(C)c[nH+]c(CN(C)CC[N@H+](C)C2CC2)c1C ZINC000186763896 369037697 /nfs/dbraw/zinc/03/76/97/369037697.db2.gz PVHQQXAVKMLCQL-UHFFFAOYSA-N 2 1 277.412 2.233 50 0 CEAAMP COc1c(C)c[nH+]c(CN(C)CC[N@@H+](C)C2CC2)c1C ZINC000186763896 369037703 /nfs/dbraw/zinc/03/77/03/369037703.db2.gz PVHQQXAVKMLCQL-UHFFFAOYSA-N 2 1 277.412 2.233 50 0 CEAAMP C[NH+]1CCC2(CC1)CCC[N@@H+](Cc1cccnc1N)CC2 ZINC000215914344 370182213 /nfs/dbraw/zinc/18/22/13/370182213.db2.gz SVTXZRGNQYYZQY-UHFFFAOYSA-N 2 1 288.439 2.362 50 0 CEAAMP C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072167778 279180430 /nfs/dbraw/zinc/18/04/30/279180430.db2.gz IEMQNTRFNHTYCL-NVXWUHKLSA-N 2 1 288.439 2.387 50 0 CEAAMP C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072167778 279180431 /nfs/dbraw/zinc/18/04/31/279180431.db2.gz IEMQNTRFNHTYCL-NVXWUHKLSA-N 2 1 288.439 2.387 50 0 CEAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000122051888 528368837 /nfs/dbraw/zinc/36/88/37/528368837.db2.gz MORFSKRFSHHJFC-ZIAGYGMSSA-N 2 1 292.427 2.125 50 0 CEAAMP C[NH+]1CCC(CNc2cc(N)[nH+]cn2)(c2ccccc2)CC1 ZINC000952973720 616170600 /nfs/dbraw/zinc/17/06/00/616170600.db2.gz AZZXGYCUJUUQBN-UHFFFAOYSA-N 2 1 297.406 2.134 50 0 CEAAMP CCOc1ccc(C[NH2+]CCn2c[nH+]c(C)c2C)cn1 ZINC000952869012 815071131 /nfs/dbraw/zinc/07/11/31/815071131.db2.gz KMADZRCHMOVYNN-UHFFFAOYSA-N 2 1 274.368 2.083 50 0 CEAAMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)c(C)nc2s1 ZINC000044533471 362153381 /nfs/dbraw/zinc/15/33/81/362153381.db2.gz ZAXDOHKFYRJGIA-ZDUSSCGKSA-N 2 1 292.452 2.444 50 0 CEAAMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000044533471 362153384 /nfs/dbraw/zinc/15/33/84/362153384.db2.gz ZAXDOHKFYRJGIA-ZDUSSCGKSA-N 2 1 292.452 2.444 50 0 CEAAMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H]1C ZINC000685939652 539306028 /nfs/dbraw/zinc/30/60/28/539306028.db2.gz MNWLZHUBNULJSA-QKPAOTATSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C ZINC000685939652 539306030 /nfs/dbraw/zinc/30/60/30/539306030.db2.gz MNWLZHUBNULJSA-QKPAOTATSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1C ZINC000685939652 539306031 /nfs/dbraw/zinc/30/60/31/539306031.db2.gz MNWLZHUBNULJSA-QKPAOTATSA-N 2 1 265.445 2.076 50 0 CEAAMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000252486302 344639701 /nfs/dbraw/zinc/63/97/01/344639701.db2.gz IAGPRELHNZUHRI-KBPBESRZSA-N 2 1 297.443 2.070 50 0 CEAAMP COC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)C1CC1 ZINC000096477891 136520420 /nfs/dbraw/zinc/52/04/20/136520420.db2.gz NLPQNKQHGZAHHH-INIZCTEOSA-N 2 1 289.423 2.373 50 0 CEAAMP Cc1[nH+]c(N(C)C)nc(NCC[C@H]2CCC[N@H+]2C)c1C ZINC000065382024 362814245 /nfs/dbraw/zinc/81/42/45/362814245.db2.gz UCENSHRLUQPNIW-CYBMUJFWSA-N 2 1 277.416 2.056 50 0 CEAAMP CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1C ZINC000670440744 540410901 /nfs/dbraw/zinc/41/09/01/540410901.db2.gz CFFVOUNPTPXYID-FICVDOATSA-N 2 1 263.385 2.223 50 0 CEAAMP CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1C ZINC000670440744 540410905 /nfs/dbraw/zinc/41/09/05/540410905.db2.gz CFFVOUNPTPXYID-FICVDOATSA-N 2 1 263.385 2.223 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCn3cccn3)C2)c1 ZINC000097200811 364476231 /nfs/dbraw/zinc/47/62/31/364476231.db2.gz BNAREUFNCLRMRE-HNNXBMFYSA-N 2 1 285.395 2.021 50 0 CEAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)c1 ZINC000097200811 364476233 /nfs/dbraw/zinc/47/62/33/364476233.db2.gz BNAREUFNCLRMRE-HNNXBMFYSA-N 2 1 285.395 2.021 50 0 CEAAMP COc1cc(C)ccc1OCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000244678894 370794673 /nfs/dbraw/zinc/79/46/73/370794673.db2.gz ILWRWRAGRCOLHL-CQSZACIVSA-N 2 1 278.396 2.196 50 0 CEAAMP CCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000222036660 370248778 /nfs/dbraw/zinc/24/87/78/370248778.db2.gz XANKROQHDXNCCL-CVEARBPZSA-N 2 1 265.445 2.077 50 0 CEAAMP [NH3+][C@@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000390750878 375312767 /nfs/dbraw/zinc/31/27/67/375312767.db2.gz SGOLMZVIJBOGJH-MRXNPFEDSA-N 2 1 262.397 2.407 50 0 CEAAMP CC(C)OCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055107500 394560782 /nfs/dbraw/zinc/56/07/82/394560782.db2.gz FNEARJJNLMUSFD-LSDHHAIUSA-N 2 1 254.418 2.266 50 0 CEAAMP Cc1cc(F)ccc1N1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000426712616 395078219 /nfs/dbraw/zinc/07/82/19/395078219.db2.gz KAPAUYUQOIAYCV-HNNXBMFYSA-N 2 1 277.387 2.054 50 0 CEAAMP C[C@@H]1C[C@@](O)(CC[NH2+]Cc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004785487 170016864 /nfs/dbraw/zinc/01/68/64/170016864.db2.gz JKYJLJRYZGZWSE-INMHGKMJSA-N 2 1 276.424 2.258 50 0 CEAAMP Cc1ccccc1N1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000072123836 176319837 /nfs/dbraw/zinc/31/98/37/176319837.db2.gz CHOHDNPOPALHIP-UHFFFAOYSA-N 2 1 261.413 2.244 50 0 CEAAMP Cc1ccccc1N1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000072123836 176319838 /nfs/dbraw/zinc/31/98/38/176319838.db2.gz CHOHDNPOPALHIP-UHFFFAOYSA-N 2 1 261.413 2.244 50 0 CEAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](Cn3ccnc3)C2)c1 ZINC000072163153 176330391 /nfs/dbraw/zinc/33/03/91/176330391.db2.gz QDJIQUNYQVEBLF-SFHVURJKSA-N 2 1 298.434 2.297 50 0 CEAAMP CC(=O)Nc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067587572 277073771 /nfs/dbraw/zinc/07/37/71/277073771.db2.gz LWTPYYCBLYWAET-UHFFFAOYSA-N 2 1 287.407 2.221 50 0 CEAAMP c1cc2c(nc[nH+]c2NC[C@@H]2CC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000534642845 328329131 /nfs/dbraw/zinc/32/91/31/328329131.db2.gz MZNGABRKGKXAIK-LBPRGKRZSA-N 2 1 285.395 2.056 50 0 CEAAMP c1cc2c(nc[nH+]c2NC[C@@H]2CC[N@H+](C3CCCC3)C2)[nH]1 ZINC000534642845 328329132 /nfs/dbraw/zinc/32/91/32/328329132.db2.gz MZNGABRKGKXAIK-LBPRGKRZSA-N 2 1 285.395 2.056 50 0 CEAAMP c1cc2c(nc[nH+]c2NC[C@H]2CC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000534642844 328329172 /nfs/dbraw/zinc/32/91/72/328329172.db2.gz MZNGABRKGKXAIK-GFCCVEGCSA-N 2 1 285.395 2.056 50 0 CEAAMP c1cc2c(nc[nH+]c2NC[C@H]2CC[N@H+](C3CCCC3)C2)[nH]1 ZINC000534642844 328329173 /nfs/dbraw/zinc/32/91/73/328329173.db2.gz MZNGABRKGKXAIK-GFCCVEGCSA-N 2 1 285.395 2.056 50 0 CEAAMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000863984663 646865194 /nfs/dbraw/zinc/86/51/94/646865194.db2.gz YBAREVMPHJKUCI-HRBLRVMOSA-N 2 1 288.435 2.082 50 0 CEAAMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H]1C ZINC000685939653 539306080 /nfs/dbraw/zinc/30/60/80/539306080.db2.gz MNWLZHUBNULJSA-QXSJWSMHSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C ZINC000685939653 539306082 /nfs/dbraw/zinc/30/60/82/539306082.db2.gz MNWLZHUBNULJSA-QXSJWSMHSA-N 2 1 265.445 2.076 50 0 CEAAMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1C ZINC000685939653 539306083 /nfs/dbraw/zinc/30/60/83/539306083.db2.gz MNWLZHUBNULJSA-QXSJWSMHSA-N 2 1 265.445 2.076 50 0 CEAAMP CN(CC[N@@H+](C)C1CCCC1)C(=O)C[C@@H]1CCCC[NH+]1C ZINC000584902964 345004538 /nfs/dbraw/zinc/00/45/38/345004538.db2.gz IKWKCTRTYSABMS-INIZCTEOSA-N 2 1 295.471 2.194 50 0 CEAAMP CN(CC[NH+](C)C1CCCC1)C(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000584902964 345004540 /nfs/dbraw/zinc/00/45/40/345004540.db2.gz IKWKCTRTYSABMS-INIZCTEOSA-N 2 1 295.471 2.194 50 0 CEAAMP CN(CC[NH+](C)C1CCCC1)C(=O)C[C@@H]1CCCC[N@H+]1C ZINC000584902964 345004541 /nfs/dbraw/zinc/00/45/41/345004541.db2.gz IKWKCTRTYSABMS-INIZCTEOSA-N 2 1 295.471 2.194 50 0 CEAAMP c1cnn(Cc2ccc(C[N@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)cc2)c1 ZINC000065407870 362819206 /nfs/dbraw/zinc/81/92/06/362819206.db2.gz MVOVFKMNLNWIJA-MSOLQXFVSA-N 2 1 296.418 2.258 50 0 CEAAMP COC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000003683593 361288111 /nfs/dbraw/zinc/28/81/11/361288111.db2.gz PSTZVGWNNRZQSY-HNNXBMFYSA-N 2 1 276.424 2.318 50 0 CEAAMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccnn3C)C2)[nH+]1 ZINC000092813303 364109698 /nfs/dbraw/zinc/10/96/98/364109698.db2.gz KLFUPLRWTMUHPC-AWEZNQCLSA-N 2 1 285.395 2.058 50 0 CEAAMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000095420768 364368555 /nfs/dbraw/zinc/36/85/55/364368555.db2.gz WBXYRSLAUSLGMF-OAHLLOKOSA-N 2 1 276.424 2.492 50 0 CEAAMP C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195557248 370141011 /nfs/dbraw/zinc/14/10/11/370141011.db2.gz VDCSGLCDMSBNDG-NRSFXHEJSA-N 2 1 288.435 2.258 50 0 CEAAMP COc1cc(F)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000426563098 377420924 /nfs/dbraw/zinc/42/09/24/377420924.db2.gz JCFSTJBXNJCVPZ-GFCCVEGCSA-N 2 1 266.360 2.395 50 0 CEAAMP COCc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000426684450 377429150 /nfs/dbraw/zinc/42/91/50/377429150.db2.gz MBTIOTWAEAIBTG-OAHLLOKOSA-N 2 1 292.423 2.273 50 0 CEAAMP Cc1ccsc1C[N@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC000065529127 394575374 /nfs/dbraw/zinc/57/53/74/394575374.db2.gz AKGJIUHQKKWVRP-AWEZNQCLSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1ccsc1C[N@@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC000065529127 394575376 /nfs/dbraw/zinc/57/53/76/394575376.db2.gz AKGJIUHQKKWVRP-AWEZNQCLSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1ccsc1C[NH+](C)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000065529127 394575379 /nfs/dbraw/zinc/57/53/79/394575379.db2.gz AKGJIUHQKKWVRP-AWEZNQCLSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1ccsc1C[NH+](C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000065529127 394575380 /nfs/dbraw/zinc/57/53/80/394575380.db2.gz AKGJIUHQKKWVRP-AWEZNQCLSA-N 2 1 282.453 2.193 50 0 CEAAMP Cc1cc(NCCC[N@H+](C)C2CCCC2)nc(N)[nH+]1 ZINC000091964618 394659880 /nfs/dbraw/zinc/65/98/80/394659880.db2.gz QXABQOTWDQCSIY-UHFFFAOYSA-N 2 1 263.389 2.044 50 0 CEAAMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000426596503 395077620 /nfs/dbraw/zinc/07/76/20/395077620.db2.gz NIYWESKPHFFOIR-ZDUSSCGKSA-N 2 1 279.815 2.342 50 0 CEAAMP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000426596503 395077622 /nfs/dbraw/zinc/07/76/22/395077622.db2.gz NIYWESKPHFFOIR-ZDUSSCGKSA-N 2 1 279.815 2.342 50 0 CEAAMP c1csc([C@H]2CCC[N@H+]2CCCC[NH+]2CCOCC2)n1 ZINC000020201112 171065526 /nfs/dbraw/zinc/06/55/26/171065526.db2.gz YIUXWBOHSFYOPJ-CQSZACIVSA-N 2 1 295.452 2.392 50 0 CEAAMP c1csc([C@H]2CCC[N@@H+]2CCCC[NH+]2CCOCC2)n1 ZINC000020201112 171065527 /nfs/dbraw/zinc/06/55/27/171065527.db2.gz YIUXWBOHSFYOPJ-CQSZACIVSA-N 2 1 295.452 2.392 50 0 CEAAMP CC1(C)CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000095422260 276109621 /nfs/dbraw/zinc/10/96/21/276109621.db2.gz SUFMYYOJDFABPR-CABCVRRESA-N 2 1 268.445 2.392 50 0 CEAAMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000222021962 277152189 /nfs/dbraw/zinc/15/21/89/277152189.db2.gz MZZAYCRQOBCQLF-CVEARBPZSA-N 2 1 279.472 2.466 50 0 CEAAMP CC[NH+]1CCC(CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000019800280 279257208 /nfs/dbraw/zinc/25/72/08/279257208.db2.gz OFMQOVAGVWGGKP-UHFFFAOYSA-N 2 1 279.472 2.279 50 0 CEAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000534584244 328312616 /nfs/dbraw/zinc/31/26/16/328312616.db2.gz LNGSFHCUEPEFPE-CYBMUJFWSA-N 2 1 273.380 2.252 50 0 CEAAMP Fc1cccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000067935198 641358413 /nfs/dbraw/zinc/35/84/13/641358413.db2.gz SQNHFJNGAPPPJJ-INIZCTEOSA-N 2 1 292.398 2.216 50 0 CEAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC)C1 ZINC000037643981 361916526 /nfs/dbraw/zinc/91/65/26/361916526.db2.gz SBGRDDKIZFFOSV-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC)C1 ZINC000037643981 361916532 /nfs/dbraw/zinc/91/65/32/361916532.db2.gz SBGRDDKIZFFOSV-CYBMUJFWSA-N 2 1 278.396 2.135 50 0 CEAAMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2c(c1)OCCO2 ZINC000037648895 361917405 /nfs/dbraw/zinc/91/74/05/361917405.db2.gz FROLEGYEPVKAOD-ZDUSSCGKSA-N 2 1 288.391 2.032 50 0 CEAAMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2c(c1)OCCO2 ZINC000037648895 361917410 /nfs/dbraw/zinc/91/74/10/361917410.db2.gz FROLEGYEPVKAOD-ZDUSSCGKSA-N 2 1 288.391 2.032 50 0 CEAAMP CCO[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103367 344243651 /nfs/dbraw/zinc/24/36/51/344243651.db2.gz KVSGZWYYLHNBNQ-HNNXBMFYSA-N 2 1 254.418 2.363 50 0 CEAAMP CCO[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103367 344243652 /nfs/dbraw/zinc/24/36/52/344243652.db2.gz KVSGZWYYLHNBNQ-HNNXBMFYSA-N 2 1 254.418 2.363 50 0 CEAAMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000252486303 344639796 /nfs/dbraw/zinc/63/97/96/344639796.db2.gz IAGPRELHNZUHRI-KGLIPLIRSA-N 2 1 297.443 2.070 50 0 CEAAMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CN1CCc2ccccc2C1 ZINC000584891491 344999956 /nfs/dbraw/zinc/99/99/56/344999956.db2.gz CFJVBXFOUQEFNG-OAHLLOKOSA-N 2 1 298.434 2.228 50 0 CEAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CC[NH+](C)C1 ZINC000065506418 362828054 /nfs/dbraw/zinc/82/80/54/362828054.db2.gz PYQXFVDNFUNVDA-INIZCTEOSA-N 2 1 289.423 2.419 50 0 CEAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000065506418 362828060 /nfs/dbraw/zinc/82/80/60/362828060.db2.gz PYQXFVDNFUNVDA-INIZCTEOSA-N 2 1 289.423 2.419 50 0 CEAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000065506418 362828065 /nfs/dbraw/zinc/82/80/65/362828065.db2.gz PYQXFVDNFUNVDA-INIZCTEOSA-N 2 1 289.423 2.419 50 0 CEAAMP C[N@@H+](CC1CCCCC1)CC1CC[NH+](CCO)CC1 ZINC000069628420 362985706 /nfs/dbraw/zinc/98/57/06/362985706.db2.gz BUNGFPVASQWWHG-UHFFFAOYSA-N 2 1 268.445 2.203 50 0 CEAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC000685944148 540636557 /nfs/dbraw/zinc/63/65/57/540636557.db2.gz RMYXAMDBOLIOHQ-CQSZACIVSA-N 2 1 260.381 2.030 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@@H]23 ZINC000004073387 361298678 /nfs/dbraw/zinc/29/86/78/361298678.db2.gz OWCMWMIGCIAINN-QBYUYEEZSA-N 2 1 294.439 2.182 50 0 CEAAMP CCOC(=O)CCC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@@H]23 ZINC000004073387 361298686 /nfs/dbraw/zinc/29/86/86/361298686.db2.gz OWCMWMIGCIAINN-QBYUYEEZSA-N 2 1 294.439 2.182 50 0 CEAAMP Cc1nc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cs1 ZINC000244602069 370792745 /nfs/dbraw/zinc/79/27/45/370792745.db2.gz DXBFUISBFOQXSJ-AWEZNQCLSA-N 2 1 267.442 2.410 50 0 CEAAMP Cc1nc(CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cs1 ZINC000244602069 370792749 /nfs/dbraw/zinc/79/27/49/370792749.db2.gz DXBFUISBFOQXSJ-AWEZNQCLSA-N 2 1 267.442 2.410 50 0 CEAAMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000245289629 370807831 /nfs/dbraw/zinc/80/78/31/370807831.db2.gz DDAQAJUKXUBQTP-COXVUDFISA-N 2 1 292.398 2.382 50 0 CEAAMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000245289629 370807836 /nfs/dbraw/zinc/80/78/36/370807836.db2.gz DDAQAJUKXUBQTP-COXVUDFISA-N 2 1 292.398 2.382 50 0 CEAAMP Cc1ccccc1C[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071871536 176283665 /nfs/dbraw/zinc/28/36/65/176283665.db2.gz DDJOPMGFQSVCAM-UHFFFAOYSA-N 2 1 276.424 2.131 50 0 CEAAMP CC[C@H]1CN(Cc2cccc(CC[NH3+])c2)CC[N@H+]1C(C)C ZINC000072154904 176328577 /nfs/dbraw/zinc/32/85/77/176328577.db2.gz KOKADVSBSBDRIL-SFHVURJKSA-N 2 1 289.467 2.492 50 0 CEAAMP COc1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC000097657367 533901271 /nfs/dbraw/zinc/90/12/71/533901271.db2.gz OKYVQLPZGXJYID-GFCCVEGCSA-N 2 1 252.333 2.148 50 0 CEAAMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC000097657367 533901275 /nfs/dbraw/zinc/90/12/75/533901275.db2.gz OKYVQLPZGXJYID-GFCCVEGCSA-N 2 1 252.333 2.148 50 0 CEAAMP CC(C)(O)[C@@H]1CC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000820774057 810557783 /nfs/dbraw/zinc/55/77/83/810557783.db2.gz YVFISSSDQAWEHI-CQSZACIVSA-N 2 1 280.456 2.486 50 0 CEAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2OCCO2)cc1 ZINC000097238550 344244501 /nfs/dbraw/zinc/24/45/01/344244501.db2.gz MMDQBGDNMHFBCG-GFCCVEGCSA-N 2 1 287.363 2.204 50 0 CEAAMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000163933699 344471651 /nfs/dbraw/zinc/47/16/51/344471651.db2.gz ARNXYMDDVVCJBD-CYBMUJFWSA-N 2 1 276.428 2.478 50 0 CEAAMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000169789826 344483075 /nfs/dbraw/zinc/48/30/75/344483075.db2.gz TZYLVKWABTYJQX-HNNXBMFYSA-N 2 1 292.423 2.378 50 0 CEAAMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000084018903 539487565 /nfs/dbraw/zinc/48/75/65/539487565.db2.gz IDRIMSMTHDNWDD-ZDUSSCGKSA-N 2 1 272.396 2.384 50 0 CEAAMP CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000067921200 362931368 /nfs/dbraw/zinc/93/13/68/362931368.db2.gz NXLGCAJRDWTYTM-MRXNPFEDSA-N 2 1 259.397 2.220 50 0 CEAAMP CCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000067921200 362931374 /nfs/dbraw/zinc/93/13/74/362931374.db2.gz NXLGCAJRDWTYTM-MRXNPFEDSA-N 2 1 259.397 2.220 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000089926932 540159883 /nfs/dbraw/zinc/15/98/83/540159883.db2.gz JKTHLONJXAKDEI-MXASKKJJSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000089926932 540159888 /nfs/dbraw/zinc/15/98/88/540159888.db2.gz JKTHLONJXAKDEI-MXASKKJJSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000089926932 540159892 /nfs/dbraw/zinc/15/98/92/540159892.db2.gz JKTHLONJXAKDEI-MXASKKJJSA-N 2 1 278.440 2.239 50 0 CEAAMP O[C@@H]1CCCC[C@@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000089926932 540159894 /nfs/dbraw/zinc/15/98/94/540159894.db2.gz JKTHLONJXAKDEI-MXASKKJJSA-N 2 1 278.440 2.239 50 0 CEAAMP Cc1ncsc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000670446861 540413286 /nfs/dbraw/zinc/41/32/86/540413286.db2.gz AQVXUIGAAFILJX-UHFFFAOYSA-N 2 1 288.420 2.477 50 0 CEAAMP COCC[NH2+]C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019735513 361549156 /nfs/dbraw/zinc/54/91/56/361549156.db2.gz YWJBFFLJYSZCJL-HNNXBMFYSA-N 2 1 288.435 2.102 50 0 CEAAMP CCCCSc1nc(N[C@@H]2CC[C@@H]([NH3+])C2)cc(N)[nH+]1 ZINC000095372081 364348800 /nfs/dbraw/zinc/34/88/00/364348800.db2.gz BKZMYISFAIWVKS-NXEZZACHSA-N 2 1 281.429 2.243 50 0 CEAAMP CCCCSc1nc(N)cc(N[C@@H]2CC[C@@H]([NH3+])C2)[nH+]1 ZINC000095372081 364348808 /nfs/dbraw/zinc/34/88/08/364348808.db2.gz BKZMYISFAIWVKS-NXEZZACHSA-N 2 1 281.429 2.243 50 0 CEAAMP [NH3+]CC[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000097076285 364439721 /nfs/dbraw/zinc/43/97/21/364439721.db2.gz BXSFLSTXXLPRGO-ZDUSSCGKSA-N 2 1 276.405 2.451 50 0 CEAAMP [NH3+]CC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000097076285 364439727 /nfs/dbraw/zinc/43/97/27/364439727.db2.gz BXSFLSTXXLPRGO-ZDUSSCGKSA-N 2 1 276.405 2.451 50 0 CEAAMP CCc1ccc(C[NH2+]CCC[N@@H+](C)CCOC)cc1 ZINC000097287843 364490147 /nfs/dbraw/zinc/49/01/47/364490147.db2.gz VVBRIOKDSMMFCG-UHFFFAOYSA-N 2 1 264.413 2.307 50 0 CEAAMP C[C@@H]1CCCC[C@@H]1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372987 364493411 /nfs/dbraw/zinc/49/34/11/364493411.db2.gz FCPFSALMODXKOU-HUUCEWRRSA-N 2 1 268.445 2.201 50 0 CEAAMP C[C@@H]1CCCC[C@@H]1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000097372987 364493412 /nfs/dbraw/zinc/49/34/12/364493412.db2.gz FCPFSALMODXKOU-HUUCEWRRSA-N 2 1 268.445 2.201 50 0 CEAAMP CCC[N@H+](CCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000244795690 370799095 /nfs/dbraw/zinc/79/90/95/370799095.db2.gz RLWUKLVHUCYMFZ-AWEZNQCLSA-N 2 1 251.374 2.083 50 0 CEAAMP CCC[N@@H+](CCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000244795690 370799097 /nfs/dbraw/zinc/79/90/97/370799097.db2.gz RLWUKLVHUCYMFZ-AWEZNQCLSA-N 2 1 251.374 2.083 50 0 CEAAMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000261685315 371701818 /nfs/dbraw/zinc/70/18/18/371701818.db2.gz HFKXFJRLFFYWJR-MRXNPFEDSA-N 2 1 270.380 2.043 50 0 CEAAMP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000072168635 176332618 /nfs/dbraw/zinc/33/26/18/176332618.db2.gz QGLOWWBSJIWKNB-INIZCTEOSA-N 2 1 260.381 2.271 50 0 CEAAMP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000072168635 176332620 /nfs/dbraw/zinc/33/26/20/176332620.db2.gz QGLOWWBSJIWKNB-INIZCTEOSA-N 2 1 260.381 2.271 50 0 CEAAMP Cn1ccnc1CN1CCCC[C@@H]1CCn1ccnc1 ZINC000077342574 177254859 /nfs/dbraw/zinc/25/48/59/177254859.db2.gz SETUWNPYIMWWNT-CQSZACIVSA-N 2 1 273.384 2.061 50 0 CEAAMP OC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000023283328 625637983 /nfs/dbraw/zinc/63/79/83/625637983.db2.gz FGMRLPLSPKIGEF-UHFFFAOYSA-N 2 1 288.435 2.150 50 0 CEAAMP Cc1c(C[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)cnn1C ZINC000067785390 631738154 /nfs/dbraw/zinc/73/81/54/631738154.db2.gz GNDZPKKWKKNQBE-UHFFFAOYSA-N 2 1 290.455 2.473 50 0 CEAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000952860155 815070508 /nfs/dbraw/zinc/07/05/08/815070508.db2.gz GOLDPKXFQKNJMT-INIZCTEOSA-N 2 1 298.390 2.320 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c1 ZINC000065474990 362825956 /nfs/dbraw/zinc/82/59/56/362825956.db2.gz VSRJJXFHIWADOC-CABCVRRESA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c1 ZINC000065474990 362825958 /nfs/dbraw/zinc/82/59/58/362825958.db2.gz VSRJJXFHIWADOC-CABCVRRESA-N 2 1 275.396 2.160 50 0 CEAAMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000675753939 540870654 /nfs/dbraw/zinc/87/06/54/540870654.db2.gz KLYRGDWMDVJGGD-INIZCTEOSA-N 2 1 284.407 2.450 50 0 CEAAMP CC/C=C/CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000184537773 189389110 /nfs/dbraw/zinc/38/91/10/189389110.db2.gz UYAHXAVCWVYYQI-SQRWCISFSA-N 2 1 265.445 2.055 50 0 CEAAMP CCC[NH+]1CCC(N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000097022016 364427516 /nfs/dbraw/zinc/42/75/16/364427516.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 2 1 267.461 2.134 50 0 CEAAMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000245289630 370807747 /nfs/dbraw/zinc/80/77/47/370807747.db2.gz DDAQAJUKXUBQTP-XOKHGSTOSA-N 2 1 292.398 2.382 50 0 CEAAMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000245289630 370807756 /nfs/dbraw/zinc/80/77/56/370807756.db2.gz DDAQAJUKXUBQTP-XOKHGSTOSA-N 2 1 292.398 2.382 50 0 CEAAMP C[C@@H]1CCC[C@H](CO)[N@H+]1CCC[NH+]1CCCCC1 ZINC000161963557 367126165 /nfs/dbraw/zinc/12/61/65/367126165.db2.gz XLSNWSFTAMBRKN-HUUCEWRRSA-N 2 1 254.418 2.098 50 0 CEAAMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000169792375 395089905 /nfs/dbraw/zinc/08/99/05/395089905.db2.gz QAGAJSDWAZAKAU-INIZCTEOSA-N 2 1 259.397 2.245 50 0 CEAAMP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000284543041 196080393 /nfs/dbraw/zinc/08/03/93/196080393.db2.gz GYXYAJORXOTYLK-DLBZAZTESA-N 2 1 289.423 2.374 50 0 CEAAMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000037408196 173183681 /nfs/dbraw/zinc/18/36/81/173183681.db2.gz IHVIGPUBNCNSGI-ZDUSSCGKSA-N 2 1 290.407 2.278 50 0 CEAAMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000037408196 173183684 /nfs/dbraw/zinc/18/36/84/173183684.db2.gz IHVIGPUBNCNSGI-ZDUSSCGKSA-N 2 1 290.407 2.278 50 0 CEAAMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000037051844 276004853 /nfs/dbraw/zinc/00/48/53/276004853.db2.gz IAWFRTUZLYLGNY-HNNXBMFYSA-N 2 1 276.428 2.262 50 0 CEAAMP C(CSCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000096484378 527486995 /nfs/dbraw/zinc/48/69/95/527486995.db2.gz OTEMDEPVMCXJMY-KBPBESRZSA-N 2 1 254.443 2.346 50 0 CEAAMP c1nn2cccnc2c1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000426518865 804838296 /nfs/dbraw/zinc/83/82/96/804838296.db2.gz XLCODFXOZZDONK-UHFFFAOYSA-N 2 1 299.422 2.085 50 0 CEAAMP CCc1nccn1C[C@@H](C)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823557070 810620171 /nfs/dbraw/zinc/62/01/71/810620171.db2.gz ASNUZUKCVXKPDA-OAHLLOKOSA-N 3 1 290.455 2.252 50 0 CEAAMP C[C@@H](CC[NH2+]Cc1cn(C)nc1C(C)(C)C)[NH+](C)C ZINC000585118641 813684475 /nfs/dbraw/zinc/68/44/75/813684475.db2.gz WWSXKPJGQNTQMH-LBPRGKRZSA-N 2 1 266.433 2.147 50 0 CEAAMP C[C@@H](c1ccccn1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000096490454 230382204 /nfs/dbraw/zinc/38/22/04/230382204.db2.gz VVEGCNCOCXAJAU-HNNXBMFYSA-N 2 1 290.455 2.100 50 0 CEAAMP C[C@@H](c1ccccn1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000096490454 230382205 /nfs/dbraw/zinc/38/22/05/230382205.db2.gz VVEGCNCOCXAJAU-HNNXBMFYSA-N 2 1 290.455 2.100 50 0 CEAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1cc(C2CC2)n[nH]1 ZINC000584885791 344997347 /nfs/dbraw/zinc/99/73/47/344997347.db2.gz MQLWVYWOMHSBMX-NSHDSACASA-N 2 1 273.384 2.360 50 0 CEAAMP Cc1[nH+]ccn1CC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000584903298 345004898 /nfs/dbraw/zinc/00/48/98/345004898.db2.gz DLHGVVIGCRKKQO-UHFFFAOYSA-N 2 1 288.395 2.039 50 0 CEAAMP c1cc(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)n[nH]1 ZINC000067541007 362909543 /nfs/dbraw/zinc/90/95/43/362909543.db2.gz PAGJNAOKOHHZPP-UHFFFAOYSA-N 2 1 286.379 2.245 50 0 CEAAMP COCCC[N@@H+]1CC[C@@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC000091643852 180214181 /nfs/dbraw/zinc/21/41/81/180214181.db2.gz ULXFYUIDHRQMIP-HNNXBMFYSA-N 2 1 292.427 2.172 50 0 CEAAMP COCCC[N@H+]1CC[C@@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC000091643852 180214183 /nfs/dbraw/zinc/21/41/83/180214183.db2.gz ULXFYUIDHRQMIP-HNNXBMFYSA-N 2 1 292.427 2.172 50 0 CEAAMP Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)nc1 ZINC000670457469 540419949 /nfs/dbraw/zinc/41/99/49/540419949.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 1 259.397 2.306 50 0 CEAAMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N(C)C3)nc1 ZINC000670457469 540419952 /nfs/dbraw/zinc/41/99/52/540419952.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 1 259.397 2.306 50 0 CEAAMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)N(C)C3)nc1 ZINC000670457469 540419954 /nfs/dbraw/zinc/41/99/54/540419954.db2.gz FCEROUCPETWTIJ-HOCLYGCPSA-N 2 1 259.397 2.306 50 0 CEAAMP CCOc1ccc(C[N@H+]2CC[C@@H](OC)C2)cc1C[NH+](C)C ZINC000670468136 540425384 /nfs/dbraw/zinc/42/53/84/540425384.db2.gz RBCYUBYUKFLKKC-MRXNPFEDSA-N 2 1 292.423 2.368 50 0 CEAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000013733131 361439330 /nfs/dbraw/zinc/43/93/30/361439330.db2.gz YZEZUWABLWDGAX-UHFFFAOYSA-N 2 1 274.364 2.008 50 0 CEAAMP C[C@H]1CCC[N@@H+](CCC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000019112555 361519945 /nfs/dbraw/zinc/51/99/45/361519945.db2.gz DNEYCJQEAASZOC-INIZCTEOSA-N 2 1 295.471 2.053 50 0 CEAAMP CCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000095420472 364368060 /nfs/dbraw/zinc/36/80/60/364368060.db2.gz QFFBGIKSYVYBRU-HZPDHXFCSA-N 2 1 265.445 2.077 50 0 CEAAMP Cc1n[nH]c(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000097759197 364519659 /nfs/dbraw/zinc/51/96/59/364519659.db2.gz QIHUDPYDCUADSF-UHFFFAOYSA-N 2 1 276.428 2.382 50 0 CEAAMP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000245338892 370809332 /nfs/dbraw/zinc/80/93/32/370809332.db2.gz PBRCDWOEHACFRP-MUIFIZLQSA-N 2 1 276.424 2.347 50 0 CEAAMP OCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230182826 370443654 /nfs/dbraw/zinc/44/36/54/370443654.db2.gz MMUWRUWNHDGEMC-KZNAEPCWSA-N 2 1 288.435 2.259 50 0 CEAAMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(CC[NH3+])cc1 ZINC000216063456 394451087 /nfs/dbraw/zinc/45/10/87/394451087.db2.gz FONWNECDRWRLEK-UHFFFAOYSA-N 3 1 275.440 2.106 50 0 CEAAMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(CC[NH3+])cc1 ZINC000216063456 394451092 /nfs/dbraw/zinc/45/10/92/394451092.db2.gz FONWNECDRWRLEK-UHFFFAOYSA-N 3 1 275.440 2.106 50 0 CEAAMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000037502770 173239496 /nfs/dbraw/zinc/23/94/96/173239496.db2.gz YDMVMBAFKRFYFN-CYBMUJFWSA-N 2 1 278.371 2.408 50 0 CEAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000072163154 176330584 /nfs/dbraw/zinc/33/05/84/176330584.db2.gz QDJIQUNYQVEBLF-GOSISDBHSA-N 2 1 298.434 2.297 50 0 CEAAMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000070368498 276001055 /nfs/dbraw/zinc/00/10/55/276001055.db2.gz ASNADAZSBVMWTP-BARDWOONSA-N 2 1 254.418 2.249 50 0 CEAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC000069901510 278289397 /nfs/dbraw/zinc/28/93/97/278289397.db2.gz BQMKDQVIWSKOHG-AWEZNQCLSA-N 2 1 268.445 2.201 50 0 CEAAMP COCC(C)(C)C[NH2+][C@@H](C)CCn1cc[nH+]c1C ZINC000534671691 328347893 /nfs/dbraw/zinc/34/78/93/328347893.db2.gz AMRACFIKBMPFMC-LBPRGKRZSA-N 2 1 253.390 2.232 50 0 CEAAMP Cc1cc(C)c(C[N@H+]2CC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000072437966 327110569 /nfs/dbraw/zinc/11/05/69/327110569.db2.gz XQHPMFYNTZWWPU-KRWDZBQOSA-N 2 1 276.424 2.110 50 0 CEAAMP Cc1cc(C)c(C[N@@H+]2CC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000072437966 327110570 /nfs/dbraw/zinc/11/05/70/327110570.db2.gz XQHPMFYNTZWWPU-KRWDZBQOSA-N 2 1 276.424 2.110 50 0 CEAAMP CCn1cc(C[NH2+]CCCn2cc[nH+]c2C(C)C)cn1 ZINC000952971358 615996861 /nfs/dbraw/zinc/99/68/61/615996861.db2.gz NYTJFUGPWVCOFW-UHFFFAOYSA-N 2 1 275.400 2.403 50 0 CEAAMP