smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000096944213 185134471 /nfs/dbraw/zinc/13/44/71/185134471.db2.gz RPRUUYVPWJXKLM-MSOLQXFVSA-N 2 0 272.436 3.288 10 0 CGAERP CC[NH+]1CCC(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000111763677 345951231 /nfs/dbraw/zinc/95/12/31/345951231.db2.gz NAUUVCAYKABOOS-UHFFFAOYSA-N 2 0 283.419 3.056 10 0 CGAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124512510 346012582 /nfs/dbraw/zinc/01/25/82/346012582.db2.gz QITZDPRAYYJYCN-FRRDWIJNSA-N 2 0 278.362 3.181 10 0 CGAERP CC[C@H]1CC[N@H+](CC2(C)CCCC2)CC[C@H](C)[NH2+]1 ZINC000104442350 186004536 /nfs/dbraw/zinc/00/45/36/186004536.db2.gz SDZQOADDZWCIJO-GJZGRUSLSA-N 2 0 252.446 3.419 10 0 CGAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000400528110 234947992 /nfs/dbraw/zinc/94/79/92/234947992.db2.gz QTUOEYVDTPJXME-PWSUYJOCSA-N 2 0 287.234 3.124 10 0 CGAERP [NH2+]=c1ccn(CCCCCCCCn2ccc(=[NH2+])cc2)cc1 ZINC000029238200 368893455 /nfs/dbraw/zinc/89/34/55/368893455.db2.gz VSVPLRBASDLDEQ-UHFFFAOYSA-N 2 0 298.434 3.289 10 0 CGAERP Cc1cc(N2CC[NH2+]CC2)c2cccc(C(C)C)c2[nH+]1 ZINC000040175094 369153197 /nfs/dbraw/zinc/15/31/97/369153197.db2.gz WCSYUBMOJAQCJX-UHFFFAOYSA-N 2 0 269.392 3.076 10 0 CGAERP CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c3ccccc23)C1 ZINC000040503187 369159144 /nfs/dbraw/zinc/15/91/44/369159144.db2.gz BFLLWTVJNNDUQI-AWEZNQCLSA-N 2 0 269.392 3.439 10 0 CGAERP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000041721082 369196563 /nfs/dbraw/zinc/19/65/63/369196563.db2.gz GHTSGRNVCXXQJL-ZDUSSCGKSA-N 2 0 255.365 3.131 10 0 CGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000037221412 541864441 /nfs/dbraw/zinc/86/44/41/541864441.db2.gz LBQWYHXJIOCGTN-VXGBXAGGSA-N 2 0 252.427 3.129 10 0 CGAERP CCN1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000328321108 374363605 /nfs/dbraw/zinc/36/36/05/374363605.db2.gz DVFMYMVXMJLDSL-JSGCOSHPSA-N 2 0 280.412 3.046 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738556 376895180 /nfs/dbraw/zinc/89/51/80/376895180.db2.gz FXSNIVCKDZMDQW-CRAIPNDOSA-N 2 0 283.419 3.084 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Br)cc1Cl ZINC000575440255 377912764 /nfs/dbraw/zinc/91/27/64/377912764.db2.gz XLWRJSCWTBEEAJ-LLVKDONJSA-N 2 0 291.620 3.231 10 0 CGAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399444 379949461 /nfs/dbraw/zinc/94/94/61/379949461.db2.gz KDKVUSHLAZEVQZ-LNSITVRQSA-N 2 0 266.816 3.379 10 0 CGAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399448 379949926 /nfs/dbraw/zinc/94/99/26/379949926.db2.gz KDKVUSHLAZEVQZ-ZLDLUXBVSA-N 2 0 266.816 3.379 10 0 CGAERP CCC1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246997232 542329334 /nfs/dbraw/zinc/32/93/34/542329334.db2.gz KNOZRBCLYLXCFF-LMPOIIKSSA-N 2 0 252.446 3.275 10 0 CGAERP CC(C)CC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000400406248 392947221 /nfs/dbraw/zinc/94/72/21/392947221.db2.gz RURUZXHOOGSCRV-HUUCEWRRSA-N 2 0 252.446 3.181 10 0 CGAERP [NH3+][C@@H](CSC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000204950085 392982139 /nfs/dbraw/zinc/98/21/39/392982139.db2.gz CRMSZVVODPFNDK-HOTGVXAUSA-N 2 0 272.417 3.120 10 0 CGAERP C[N@H+](C[C@@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394620162 397695654 /nfs/dbraw/zinc/69/56/54/397695654.db2.gz FAPNJZWFXQNMSD-ICIURTGMSA-N 2 0 272.383 3.027 10 0 CGAERP COc1ccc([C@H](C)[N@@H+]2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000076515415 177030694 /nfs/dbraw/zinc/03/06/94/177030694.db2.gz RXKWXLBRBXQWST-GJZGRUSLSA-N 2 0 276.424 3.076 10 0 CGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000130738233 287362033 /nfs/dbraw/zinc/36/20/33/287362033.db2.gz FHADPHCXMYZDIC-RQJABVFESA-N 2 0 292.389 3.427 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCn1ccnc1 ZINC000020306005 262245066 /nfs/dbraw/zinc/24/50/66/262245066.db2.gz MBARXTBRODKJEF-PMPSAXMXSA-N 2 0 263.429 3.324 10 0 CGAERP CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000159036504 321827711 /nfs/dbraw/zinc/82/77/11/321827711.db2.gz HTRBJUIGKCWDTH-HUUCEWRRSA-N 2 0 278.440 3.322 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000386071664 336165879 /nfs/dbraw/zinc/16/58/79/336165879.db2.gz ZVDBIJDMLKOGMU-LOWDOPEQSA-N 2 0 278.362 3.228 10 0 CGAERP CC[C@@H](C)[N@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052444312 522062678 /nfs/dbraw/zinc/06/26/78/522062678.db2.gz JADVLCLWTCKTCH-GFCCVEGCSA-N 2 0 252.402 3.398 10 0 CGAERP CC(C)[N@H+](Cc1cccs1)Cc1occc1C[NH3+] ZINC000052544977 519661751 /nfs/dbraw/zinc/66/17/51/519661751.db2.gz BONGEGDVOPEJNC-UHFFFAOYSA-N 2 0 264.394 3.210 10 0 CGAERP CCC1CC[NH+](Cc2occc2C[NH2+]C(C)C)CC1 ZINC000052346955 519859444 /nfs/dbraw/zinc/85/94/44/519859444.db2.gz KASPWYVFERCTFK-UHFFFAOYSA-N 2 0 264.413 3.400 10 0 CGAERP CCCC1CC[NH+](C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052373861 519901579 /nfs/dbraw/zinc/90/15/79/519901579.db2.gz XRCLPWSYVIUSRX-HNNXBMFYSA-N 2 0 254.462 3.380 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](CC)CC(CC)CC)on1 ZINC000052540668 519987075 /nfs/dbraw/zinc/98/70/75/519987075.db2.gz RXWJYEJIKFYLON-UHFFFAOYSA-N 2 0 267.417 3.042 10 0 CGAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)C(C)C ZINC000054559592 520219418 /nfs/dbraw/zinc/21/94/18/520219418.db2.gz NVWQNZDDSHHRPH-XHSDSOJGSA-N 2 0 254.462 3.377 10 0 CGAERP CC[NH+](CC)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052378455 520743661 /nfs/dbraw/zinc/74/36/61/520743661.db2.gz LJEGLGANPVDKIH-UHFFFAOYSA-N 2 0 252.402 3.175 10 0 CGAERP CC[N@H+](Cc1cccs1)[C@@H](C)CC[NH2+]C1CC1 ZINC000052546464 521410031 /nfs/dbraw/zinc/41/00/31/521410031.db2.gz MEUXCSDEANSUJD-LBPRGKRZSA-N 2 0 252.427 3.101 10 0 CGAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482531 522163299 /nfs/dbraw/zinc/16/32/99/522163299.db2.gz ZEZPPATXDFWNQB-ZFWWWQNUSA-N 2 0 262.397 3.154 10 0 CGAERP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000052206146 523798939 /nfs/dbraw/zinc/79/89/39/523798939.db2.gz ZTEFRFZSOUIEMD-GVDBMIGSSA-N 2 0 258.409 3.007 10 0 CGAERP C[C@@H]1CCC[N@@H+]1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052376154 524262039 /nfs/dbraw/zinc/26/20/39/524262039.db2.gz MEVCORMHIXKVEJ-GFCCVEGCSA-N 2 0 250.386 3.152 10 0 CGAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccoc2C[NH2+]C2CC2)C1 ZINC000052420662 524885315 /nfs/dbraw/zinc/88/53/15/524885315.db2.gz XPESFFOREZIYAS-STQMWFEESA-N 2 0 262.397 3.010 10 0 CGAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1(C2CCC2)CCC1 ZINC000459782665 536353834 /nfs/dbraw/zinc/35/38/34/536353834.db2.gz XVAYFTUHRVOAJH-OAHLLOKOSA-N 2 0 250.430 3.173 10 0 CGAERP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCCC4)C[C@H]3C2)cc1 ZINC000307456238 346463014 /nfs/dbraw/zinc/46/30/14/346463014.db2.gz FJSOKVFGKFUZEU-QZTJIDSGSA-N 2 0 284.447 3.383 10 0 CGAERP C[C@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000400411528 299267741 /nfs/dbraw/zinc/26/77/41/299267741.db2.gz UEGUJJALCYBTQH-STQMWFEESA-N 2 0 252.446 3.179 10 0 CGAERP Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000092813114 370103556 /nfs/dbraw/zinc/10/35/56/370103556.db2.gz BKDDLWIGTZNJLH-OAHLLOKOSA-N 2 0 285.391 3.225 10 0 CGAERP CC[C@H](c1cccs1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310101234 374207726 /nfs/dbraw/zinc/20/77/26/374207726.db2.gz XXCATTPCQTUYFY-YRGRVCCFSA-N 2 0 252.427 3.116 10 0 CGAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576838 541953588 /nfs/dbraw/zinc/95/35/88/541953588.db2.gz NBIKHGPUILIVFT-UYSNPLJNSA-N 2 0 252.446 3.133 10 0 CGAERP C[C@H]1CCN(Cc2cccnc2Cl)C[C@H]1n1ccnc1 ZINC000245610703 376867524 /nfs/dbraw/zinc/86/75/24/376867524.db2.gz NYWULHFBTMQZCI-GXTWGEPZSA-N 2 0 290.798 3.015 10 0 CGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1 ZINC000252439264 377622452 /nfs/dbraw/zinc/62/24/52/377622452.db2.gz MLADNOLBOGJIRM-WCXIOVBPSA-N 2 0 266.473 3.379 10 0 CGAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000181422625 542218847 /nfs/dbraw/zinc/21/88/47/542218847.db2.gz XERYSADKMKRDSL-WFASDCNBSA-N 2 0 266.816 3.475 10 0 CGAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000575438260 377909715 /nfs/dbraw/zinc/90/97/15/377909715.db2.gz GHWGOEYOVRNMTR-QGZVFWFLSA-N 2 0 270.376 3.004 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000575438859 377911076 /nfs/dbraw/zinc/91/10/76/377911076.db2.gz NNFRQMKYQPFEGH-SFHVURJKSA-N 2 0 284.403 3.394 10 0 CGAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400528112 379951476 /nfs/dbraw/zinc/95/14/76/379951476.db2.gz QTUOEYVDTPJXME-ZYHUDNBSSA-N 2 0 287.234 3.124 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000647804463 392805003 /nfs/dbraw/zinc/80/50/03/392805003.db2.gz RKBHATGUFKQXKO-ZDEQEGDKSA-N 2 0 278.362 3.085 10 0 CGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093844562 165340777 /nfs/dbraw/zinc/34/07/77/165340777.db2.gz DQKUWBBTNXRLCZ-MRXNPFEDSA-N 2 0 289.467 3.491 10 0 CGAERP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+](C)C)C1 ZINC000020128576 171015236 /nfs/dbraw/zinc/01/52/36/171015236.db2.gz KNVYDKDYZZTIMO-RHSMWYFYSA-N 2 0 260.425 3.417 10 0 CGAERP CCc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000189510033 270072047 /nfs/dbraw/zinc/07/20/47/270072047.db2.gz RMSDKKKDXWRSLE-SFHVURJKSA-N 2 0 283.419 3.419 10 0 CGAERP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485573 280332463 /nfs/dbraw/zinc/33/24/63/280332463.db2.gz XJAZPHQVWRSSTR-NOLJZWGESA-N 2 0 264.388 3.110 10 0 CGAERP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000530211013 288300501 /nfs/dbraw/zinc/30/05/01/288300501.db2.gz LFIFJIPRMOVBOF-XJKSGUPXSA-N 2 0 264.457 3.181 10 0 CGAERP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381140465 336051884 /nfs/dbraw/zinc/05/18/84/336051884.db2.gz RGNGYADJWJXSOJ-LALPHHSUSA-N 2 0 266.816 3.318 10 0 CGAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385968804 336163628 /nfs/dbraw/zinc/16/36/28/336163628.db2.gz GLURQKLFVSYAJJ-XVSSEFHLSA-N 2 0 278.362 3.228 10 0 CGAERP CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000052443269 518764634 /nfs/dbraw/zinc/76/46/34/518764634.db2.gz UEGHWGIACMXVEQ-UHFFFAOYSA-N 2 0 278.465 3.124 10 0 CGAERP CC(C)=CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921632 519440031 /nfs/dbraw/zinc/44/00/31/519440031.db2.gz VHLXKADECATLAZ-QGZVFWFLSA-N 2 0 258.409 3.064 10 0 CGAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416566 519720981 /nfs/dbraw/zinc/72/09/81/519720981.db2.gz VVKHUFANDXVTMV-CYBMUJFWSA-N 2 0 266.454 3.273 10 0 CGAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420803 519743707 /nfs/dbraw/zinc/74/37/07/519743707.db2.gz GESMLDYHJSWGON-OAGGEKHMSA-N 2 0 254.462 3.379 10 0 CGAERP CC(C)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554144 519821371 /nfs/dbraw/zinc/82/13/71/519821371.db2.gz OFIROSGVRQXBGK-JSGCOSHPSA-N 2 0 254.443 3.375 10 0 CGAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@H](C)C1 ZINC000054628040 519910892 /nfs/dbraw/zinc/91/08/92/519910892.db2.gz HHAUHSLJOHUCDP-KHEOEIQESA-N 2 0 250.430 3.170 10 0 CGAERP CC[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517694 519919907 /nfs/dbraw/zinc/91/99/07/519919907.db2.gz DQIORGHQTUGBCZ-GOEBONIOSA-N 2 0 252.446 3.419 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)CC(C)(C)C ZINC000052570064 519958482 /nfs/dbraw/zinc/95/84/82/519958482.db2.gz HPCDBJBUJXPMIY-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC[N@H+](Cc1ccc(C[NH2+]CC(C)C)cc1)C1CC1 ZINC000052452194 521308573 /nfs/dbraw/zinc/30/85/73/521308573.db2.gz VCXAOBGYRXBCOR-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)CC1CCCCC1 ZINC000050953369 522787173 /nfs/dbraw/zinc/78/71/73/522787173.db2.gz JBNGEFQUSGTBNS-INIZCTEOSA-N 2 0 252.446 3.421 10 0 CGAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000050953055 522788546 /nfs/dbraw/zinc/78/85/46/522788546.db2.gz XJEUIBGIPSCZSV-INIZCTEOSA-N 2 0 264.388 3.180 10 0 CGAERP C[C@H](CCC[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000052517097 524141017 /nfs/dbraw/zinc/14/10/17/524141017.db2.gz RUWYPBOGCLZXLY-SECBINFHSA-N 2 0 291.258 3.070 10 0 CGAERP Cc1oc(C[NH+]2CCCCCC2)cc1C[NH2+]C(C)C ZINC000052381857 526770804 /nfs/dbraw/zinc/77/08/04/526770804.db2.gz WEAGYEGMDRPMSG-UHFFFAOYSA-N 2 0 264.413 3.462 10 0 CGAERP C[C@@H]1[C@@H](C[NH3+])C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000034384368 344938935 /nfs/dbraw/zinc/93/89/35/344938935.db2.gz LAHGQLFKLUAXEW-PBHICJAKSA-N 2 0 266.388 3.055 10 0 CGAERP Cc1cccc(C2(C[NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000071650332 345404072 /nfs/dbraw/zinc/40/40/72/345404072.db2.gz ZYWYFSISMPUICQ-UHFFFAOYSA-N 2 0 294.442 3.488 10 0 CGAERP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133707399 346078491 /nfs/dbraw/zinc/07/84/91/346078491.db2.gz XBHYNUJWBIQWND-CABCVRRESA-N 2 0 276.424 3.267 10 0 CGAERP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](CC2(C)CCCC2)C1 ZINC000104443597 186003736 /nfs/dbraw/zinc/00/37/36/186003736.db2.gz KOWOGOKLGPJYPX-AWEZNQCLSA-N 2 0 252.446 3.277 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC[NH2+]1 ZINC000423367258 236051315 /nfs/dbraw/zinc/05/13/15/236051315.db2.gz DIOFBSAZNTWZIS-APIJFGDWSA-N 2 0 252.446 3.321 10 0 CGAERP C[NH2+][C@@H]1CCN(C2c3ccccc3CCc3ccccc32)C1 ZINC000033858163 368969648 /nfs/dbraw/zinc/96/96/48/368969648.db2.gz VQMOEFZWXQNKTP-QGZVFWFLSA-N 2 0 292.426 3.168 10 0 CGAERP CC(C)[NH2+]CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095088498 370172670 /nfs/dbraw/zinc/17/26/70/370172670.db2.gz XSPZPKNXRBNZAR-KRWDZBQOSA-N 2 0 260.425 3.287 10 0 CGAERP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000101525337 370290049 /nfs/dbraw/zinc/29/00/49/370290049.db2.gz ORFXGILBKAILLP-SJORKVTESA-N 2 0 286.806 3.267 10 0 CGAERP Cc1csc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000162915248 372433710 /nfs/dbraw/zinc/43/37/10/372433710.db2.gz NQZTXJKQMKQXMF-OAHLLOKOSA-N 2 0 293.480 3.115 10 0 CGAERP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915735 375458957 /nfs/dbraw/zinc/45/89/57/375458957.db2.gz AFJHEPOEUBLEAM-WBVHZDCISA-N 2 0 298.434 3.007 10 0 CGAERP Cc1cccc(NC[C@@H]2CCN(c3cc[nH+]c(C)c3)C2)[nH+]1 ZINC000274399622 378827202 /nfs/dbraw/zinc/82/72/02/378827202.db2.gz XQVDUBANXVRQJK-HNNXBMFYSA-N 2 0 282.391 3.032 10 0 CGAERP CCCC[NH+]1CCC([NH2+]Cc2ccn(CCC)c2)CC1 ZINC000091012055 165252037 /nfs/dbraw/zinc/25/20/37/165252037.db2.gz ZQUUOLQQNOGERE-UHFFFAOYSA-N 2 0 277.456 3.252 10 0 CGAERP CC[NH+](CC)CCC[C@@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000020078795 170985595 /nfs/dbraw/zinc/98/55/95/170985595.db2.gz VIGLZNQPWJGLTN-CQSZACIVSA-N 2 0 273.424 3.338 10 0 CGAERP C[C@H]([NH2+]C1CCCCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209470 173029940 /nfs/dbraw/zinc/02/99/40/173029940.db2.gz MWHVLIMKMTXKIE-LSDHHAIUSA-N 2 0 252.446 3.419 10 0 CGAERP C[C@@H](c1ccc(Cl)s1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512244 175188388 /nfs/dbraw/zinc/18/83/88/175188388.db2.gz SOTLIRXDOQKYIR-VIFPVBQESA-N 2 0 258.818 3.133 10 0 CGAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000385968809 336163484 /nfs/dbraw/zinc/16/34/84/336163484.db2.gz GLURQKLFVSYAJJ-YWPUVAFDSA-N 2 0 278.362 3.228 10 0 CGAERP CC[NH2+]CCC[C@H](C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370709 519920357 /nfs/dbraw/zinc/92/03/57/519920357.db2.gz STCBGYDOYZXLSD-ZDUSSCGKSA-N 2 0 266.454 3.491 10 0 CGAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](C)CC(C)(C)C)C1 ZINC000054560407 519803398 /nfs/dbraw/zinc/80/33/98/519803398.db2.gz DFWLMMOZZJVBOR-QLFBSQMISA-N 2 0 254.462 3.364 10 0 CGAERP CCC[NH2+]CCC[C@@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC000052370888 519913548 /nfs/dbraw/zinc/91/35/48/519913548.db2.gz FPHZBCQPESHYAA-CQSZACIVSA-N 2 0 264.413 3.412 10 0 CGAERP CCCO[C@H]1CCC[N@H+](CCCCC[NH2+]C(C)C)C1 ZINC000052371640 520285335 /nfs/dbraw/zinc/28/53/35/520285335.db2.gz HCZZWKNJCSFSKP-INIZCTEOSA-N 2 0 270.461 3.046 10 0 CGAERP CCCOc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000156680839 520451749 /nfs/dbraw/zinc/45/17/49/520451749.db2.gz YFDPKAGVPJVDRT-QGZVFWFLSA-N 2 0 278.440 3.281 10 0 CGAERP CC[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050953298 521039949 /nfs/dbraw/zinc/03/99/49/521039949.db2.gz FURIMGMUHCECGX-AWEZNQCLSA-N 2 0 266.454 3.492 10 0 CGAERP CCC[N@H+](C)Cc1c2ccccc2sc1C[NH2+]C ZINC000052444382 521500630 /nfs/dbraw/zinc/50/06/30/521500630.db2.gz MSJXFHQNOBGJFP-UHFFFAOYSA-N 2 0 262.422 3.463 10 0 CGAERP CCC(CC)[N@H+](CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052573314 521559107 /nfs/dbraw/zinc/55/91/07/521559107.db2.gz LOELBONIUAONJI-AWEZNQCLSA-N 2 0 272.477 3.148 10 0 CGAERP C[NH2+]Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000052513469 522128404 /nfs/dbraw/zinc/12/84/04/522128404.db2.gz RUKWGECQYFUCHB-RHSMWYFYSA-N 2 0 260.425 3.417 10 0 CGAERP CCc1ccc([C@@H](C)[NH+]2CCC(C[NH2+]C)CC2)s1 ZINC000063159150 524020724 /nfs/dbraw/zinc/02/07/24/524020724.db2.gz XXSLEBQYYDJYKU-GFCCVEGCSA-N 2 0 266.454 3.303 10 0 CGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052379001 526251646 /nfs/dbraw/zinc/25/16/46/526251646.db2.gz XRGWCNKTHISPEU-AWEZNQCLSA-N 2 0 258.409 3.313 10 0 CGAERP c1ccc(CC2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764304 526463092 /nfs/dbraw/zinc/46/30/92/526463092.db2.gz VATRTKOKLGIHHW-IBGZPJMESA-N 2 0 286.463 3.473 10 0 CGAERP Cc1oc(C[N@@H+](C)C(C)C)cc1C[NH2+]C(C)(C)C ZINC000052419549 526769241 /nfs/dbraw/zinc/76/92/41/526769241.db2.gz ACAZNOXRSNMQSM-UHFFFAOYSA-N 2 0 252.402 3.316 10 0 CGAERP c1nc(CC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000141724183 346109493 /nfs/dbraw/zinc/10/94/93/346109493.db2.gz DMJWYEBXFILBND-MRXNPFEDSA-N 2 0 269.392 3.255 10 0 CGAERP Cc1[nH+]ccc(N2CCc3ccccc3[C@H]2C[NH3+])c1Cl ZINC000312551669 346477824 /nfs/dbraw/zinc/47/78/24/346477824.db2.gz MCSAWMFYJSXOKU-OAHLLOKOSA-N 2 0 287.794 3.106 10 0 CGAERP [NH3+]CCCNc1c2ccccc2[nH+]c2c1CCCCCC2 ZINC000584904554 346723888 /nfs/dbraw/zinc/72/38/88/346723888.db2.gz JEDYSIDWIBEDQU-UHFFFAOYSA-N 2 0 283.419 3.076 10 0 CGAERP [NH3+]CCN1CCCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616623012 348849059 /nfs/dbraw/zinc/84/90/59/348849059.db2.gz BFOOISFFTXXFRH-QGZVFWFLSA-N 2 0 269.392 3.111 10 0 CGAERP C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000104412269 185992866 /nfs/dbraw/zinc/99/28/66/185992866.db2.gz PWJAZGGYHCFTPH-CZUORRHYSA-N 2 0 258.409 3.026 10 0 CGAERP CCc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000301765163 201183332 /nfs/dbraw/zinc/18/33/32/201183332.db2.gz BDNDXPLEQXBBMY-SCLBCKFNSA-N 2 0 283.419 3.184 10 0 CGAERP C[NH2+][C@H]1CCN(C2c3ccccc3CCc3ccccc32)C1 ZINC000033858165 368969454 /nfs/dbraw/zinc/96/94/54/368969454.db2.gz VQMOEFZWXQNKTP-KRWDZBQOSA-N 2 0 292.426 3.168 10 0 CGAERP Cc1cccc(C2CC([NH2+][C@@H](C)CC[NH+](C)C)C2)c1 ZINC000049553932 369409163 /nfs/dbraw/zinc/40/91/63/369409163.db2.gz MOCPGRUMPLUDBL-OOHWJJMZSA-N 2 0 260.425 3.171 10 0 CGAERP CC1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000089577196 370043241 /nfs/dbraw/zinc/04/32/41/370043241.db2.gz AKFFGVHSSBFCBH-QLQQRZLESA-N 2 0 264.457 3.418 10 0 CGAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738562 376894231 /nfs/dbraw/zinc/89/42/31/376894231.db2.gz FXSNIVCKDZMDQW-MAUKXSAKSA-N 2 0 283.419 3.084 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3)CC[C@H]21 ZINC000247297953 377189709 /nfs/dbraw/zinc/18/97/09/377189709.db2.gz ZOCIGKRRYYAWDQ-JOHXTKAHSA-N 2 0 288.410 3.255 10 0 CGAERP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603699 379466487 /nfs/dbraw/zinc/46/64/87/379466487.db2.gz LEMLFVYHFBSPEG-OTWHNJEPSA-N 2 0 295.430 3.015 10 0 CGAERP C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400751350 379953422 /nfs/dbraw/zinc/95/34/22/379953422.db2.gz VSVKVYLNHVMGQH-BPUTZDHNSA-N 2 0 260.425 3.361 10 0 CGAERP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000394678791 397695979 /nfs/dbraw/zinc/69/59/79/397695979.db2.gz XJFZQJZLXJXSCW-RRFJBIMHSA-N 2 0 286.410 3.276 10 0 CGAERP CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000080459469 287065736 /nfs/dbraw/zinc/06/57/36/287065736.db2.gz KUHSVLCJIUZNTL-OAGGEKHMSA-N 2 0 252.446 3.277 10 0 CGAERP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000080458952 287065778 /nfs/dbraw/zinc/06/57/78/287065778.db2.gz SSGRIRAZLSESDF-DZGCQCFKSA-N 2 0 252.446 3.418 10 0 CGAERP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000070149711 165057829 /nfs/dbraw/zinc/05/78/29/165057829.db2.gz FJIUXAUFUJPMIH-QGZVFWFLSA-N 2 0 290.451 3.276 10 0 CGAERP CC(C)Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000094901332 165393840 /nfs/dbraw/zinc/39/38/40/165393840.db2.gz XPSFDSRIJJVDGP-OAHLLOKOSA-N 2 0 274.452 3.444 10 0 CGAERP Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1C ZINC000657391653 419268344 /nfs/dbraw/zinc/26/83/44/419268344.db2.gz GTKKRRDGCFQSSW-NSHDSACASA-N 2 0 261.344 3.027 10 0 CGAERP CCc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000189510012 270071930 /nfs/dbraw/zinc/07/19/30/270071930.db2.gz RMSDKKKDXWRSLE-GOSISDBHSA-N 2 0 283.419 3.419 10 0 CGAERP Cc1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cs1 ZINC000381349549 336059987 /nfs/dbraw/zinc/05/99/87/336059987.db2.gz HPBJOIXIEMDRAW-SCDSUCTJSA-N 2 0 252.427 3.034 10 0 CGAERP CC(C)C[NH2+]CCCC[N@@H+]1CCc2ccccc2C1 ZINC000052419054 519743385 /nfs/dbraw/zinc/74/33/85/519743385.db2.gz TZRUYTYURGUNPI-UHFFFAOYSA-N 2 0 260.425 3.071 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC[NH2+]1 ZINC000423367267 533961230 /nfs/dbraw/zinc/96/12/30/533961230.db2.gz DIOFBSAZNTWZIS-KBUPBQIOSA-N 2 0 252.446 3.321 10 0 CGAERP CC(C)[NH2+]CCCCC[N@H+](C)Cc1cccc(F)c1 ZINC000052425372 519720507 /nfs/dbraw/zinc/72/05/07/519720507.db2.gz WCQXBJCQSSOCGN-UHFFFAOYSA-N 2 0 266.404 3.426 10 0 CGAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)CC(C)(C)C)C1 ZINC000054560405 519803329 /nfs/dbraw/zinc/80/33/29/519803329.db2.gz DFWLMMOZZJVBOR-ILXRZTDVSA-N 2 0 254.462 3.364 10 0 CGAERP CCC[NH2+]Cc1cc(C[NH+]2CCC(C)CC2)oc1C ZINC000052376948 519945661 /nfs/dbraw/zinc/94/56/61/519945661.db2.gz RUEKMAQADHSFFT-UHFFFAOYSA-N 2 0 264.413 3.320 10 0 CGAERP CCC[NH2+]Cc1coc(C[N@H+](C)CCC(C)C)c1 ZINC000052545900 519964379 /nfs/dbraw/zinc/96/43/79/519964379.db2.gz UHMGSAJJDAUUAF-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC[N@H+](CC(C)C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054559707 520412454 /nfs/dbraw/zinc/41/24/54/520412454.db2.gz LPNKUJRSEANHJY-PMPSAXMXSA-N 2 0 254.462 3.364 10 0 CGAERP CCCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052417931 520420474 /nfs/dbraw/zinc/42/04/74/520420474.db2.gz GMONLRRXCQJOBQ-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CC[NH+](CC)CCC[C@@H](C)NC(=[NH2+])c1ccccc1 ZINC000062988953 520626033 /nfs/dbraw/zinc/62/60/33/520626033.db2.gz JCVUOSCRRDHABI-CQSZACIVSA-N 2 0 261.413 3.112 10 0 CGAERP CCC(CC)[N@H+](CCCC[NH2+]CC(C)C)CCOC ZINC000052573275 521551389 /nfs/dbraw/zinc/55/13/89/521551389.db2.gz IFHZWBKCVJZYLQ-UHFFFAOYSA-N 2 0 272.477 3.149 10 0 CGAERP C[NH2+]CCCCC[N@H+](C)Cc1ccccc1Br ZINC000052541274 521990853 /nfs/dbraw/zinc/99/08/53/521990853.db2.gz MJYYZAAPKIRJSP-UHFFFAOYSA-N 2 0 299.256 3.271 10 0 CGAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)o1 ZINC000052517527 522118489 /nfs/dbraw/zinc/11/84/89/522118489.db2.gz HBRDBMHNLTZXHJ-INIZCTEOSA-N 2 0 262.397 3.154 10 0 CGAERP Cc1nc(C)c([C@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602754 526750298 /nfs/dbraw/zinc/75/02/98/526750298.db2.gz LSNZIAGWCBNJME-HLVVYCRESA-N 2 0 279.453 3.165 10 0 CGAERP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@@H+](C)C1CC1 ZINC000052445603 526775488 /nfs/dbraw/zinc/77/54/88/526775488.db2.gz ZYBNQTJJIXFHQH-UHFFFAOYSA-N 2 0 250.386 3.070 10 0 CGAERP Cc1cc(NCCCCCC[NH3+])c2ccccc2[nH+]1 ZINC000235875089 618831011 /nfs/dbraw/zinc/83/10/11/618831011.db2.gz MWECLKIUKXEIJF-UHFFFAOYSA-N 2 0 257.381 3.474 10 0 CGAERP CC(C)C[C@@H]1[C@@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409429420 346605358 /nfs/dbraw/zinc/60/53/58/346605358.db2.gz JLLWWPICGWPLRQ-KZNAEPCWSA-N 2 0 272.436 3.095 10 0 CGAERP CC(C)C[C@@H]1[C@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409429408 346605370 /nfs/dbraw/zinc/60/53/70/346605370.db2.gz JLLWWPICGWPLRQ-FGTMMUONSA-N 2 0 272.436 3.095 10 0 CGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000120832828 370804645 /nfs/dbraw/zinc/80/46/45/370804645.db2.gz NTEJARIRPHRTJB-OAHLLOKOSA-N 2 0 291.345 3.134 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000517239801 296149463 /nfs/dbraw/zinc/14/94/63/296149463.db2.gz UFIXAZINUBCTES-NYCFMAHJSA-N 2 0 264.457 3.179 10 0 CGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000178290382 373762966 /nfs/dbraw/zinc/76/29/66/373762966.db2.gz MUJUFVJFPQAKFL-GOSISDBHSA-N 2 0 283.419 3.473 10 0 CGAERP CCc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000301767841 373802273 /nfs/dbraw/zinc/80/22/73/373802273.db2.gz CAXFKXVRXGPTKP-INIZCTEOSA-N 2 0 295.430 3.472 10 0 CGAERP c1cn2c(n1)CC[C@H](C[NH2+][C@H]1CCC[C@H](C3CC3)C1)C2 ZINC000328625860 374370250 /nfs/dbraw/zinc/37/02/50/374370250.db2.gz DOLYOCWWCWVMTO-KBMXLJTQSA-N 2 0 273.424 3.004 10 0 CGAERP CCN1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336890929 376021537 /nfs/dbraw/zinc/02/15/37/376021537.db2.gz HZJYTDDPPHXTDO-HUUCEWRRSA-N 2 0 250.430 3.173 10 0 CGAERP [NH3+]CCC[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000575438294 377910125 /nfs/dbraw/zinc/91/01/25/377910125.db2.gz HJLSWGOXOUKTON-KRWDZBQOSA-N 2 0 270.376 3.004 10 0 CGAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000414789890 380406709 /nfs/dbraw/zinc/40/67/09/380406709.db2.gz FZMAAVQYTFYFER-CABZTGNLSA-N 2 0 273.207 3.210 10 0 CGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070149515 165057972 /nfs/dbraw/zinc/05/79/72/165057972.db2.gz DVSBTADGPJYVGS-KRWDZBQOSA-N 2 0 290.451 3.276 10 0 CGAERP CC[NH+](CC)CCNc1nc2ccccc2n1CC(C)C ZINC000005817567 170142928 /nfs/dbraw/zinc/14/29/28/170142928.db2.gz KUURSRYDFPLJKQ-UHFFFAOYSA-N 2 0 288.439 3.446 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC000037221921 173041904 /nfs/dbraw/zinc/04/19/04/173041904.db2.gz MVZOESQNNZVVDU-CYBMUJFWSA-N 2 0 264.388 3.036 10 0 CGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(Cl)c1 ZINC000040749252 174393644 /nfs/dbraw/zinc/39/36/44/174393644.db2.gz PLDPEWKBMCKAPP-YOGCLGLASA-N 2 0 285.218 3.448 10 0 CGAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249980 176095016 /nfs/dbraw/zinc/09/50/16/176095016.db2.gz MQPUGMHSXYNHPW-RYUDHWBXSA-N 2 0 250.361 3.047 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000400726562 279498078 /nfs/dbraw/zinc/49/80/78/279498078.db2.gz HVDIFGLAZXQFJZ-GVXVVHGQSA-N 2 0 297.240 3.098 10 0 CGAERP FC1(F)CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000261562463 294715370 /nfs/dbraw/zinc/71/53/70/294715370.db2.gz NYWWAZLBHKNRLZ-HIFRSBDPSA-N 2 0 286.410 3.276 10 0 CGAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000422855473 295212418 /nfs/dbraw/zinc/21/24/18/295212418.db2.gz VOIMSIOIJKPJFE-OKZRHMCRSA-N 2 0 278.362 3.215 10 0 CGAERP CCC1CCC([N@H+](C)CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764456 519853136 /nfs/dbraw/zinc/85/31/36/519853136.db2.gz CRTCCRQFFLUKRS-PCKAHOCUSA-N 2 0 252.446 3.419 10 0 CGAERP CC[NH2+]Cc1oc(C[NH+]2CCCCCC2)cc1C ZINC000052382150 520027063 /nfs/dbraw/zinc/02/70/63/520027063.db2.gz VDJCNYYTWAFNMD-UHFFFAOYSA-N 2 0 250.386 3.074 10 0 CGAERP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507996 519969450 /nfs/dbraw/zinc/96/94/50/519969450.db2.gz KGFJVYAUVZWPBY-LBPRGKRZSA-N 2 0 254.805 3.017 10 0 CGAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)C(C)C ZINC000054559593 520120290 /nfs/dbraw/zinc/12/02/90/520120290.db2.gz NVWQNZDDSHHRPH-BZUAXINKSA-N 2 0 254.462 3.377 10 0 CGAERP CC[NH+](CC)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052378406 520744435 /nfs/dbraw/zinc/74/44/35/520744435.db2.gz NOBPGMLTGKMJCF-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CC[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccco1 ZINC000050953159 521039565 /nfs/dbraw/zinc/03/95/65/521039565.db2.gz LUVIQKBRHRBAME-AWEZNQCLSA-N 2 0 250.386 3.024 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513508 522140530 /nfs/dbraw/zinc/14/05/30/522140530.db2.gz LVWINVBKWOVUMM-TZMCWYRMSA-N 2 0 250.386 3.010 10 0 CGAERP C[N@@H+](Cc1ccc(C[NH2+]C(C)(C)C)cc1)CC1CC1 ZINC000052483671 523220102 /nfs/dbraw/zinc/22/01/02/523220102.db2.gz UGSRYSHXZWUXER-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP C[C@H]1c2ccsc2CC[N@H+]1CCCC[NH2+]C1CC1 ZINC000052505230 525131840 /nfs/dbraw/zinc/13/18/40/525131840.db2.gz WNXRKKGPNSKDLR-LBPRGKRZSA-N 2 0 264.438 3.199 10 0 CGAERP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159577 525935629 /nfs/dbraw/zinc/93/56/29/525935629.db2.gz GWBIJFCUXKJZQQ-MELADBBJSA-N 2 0 266.454 3.437 10 0 CGAERP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@H+]1CCC[C@@H]1C ZINC000052376125 526775080 /nfs/dbraw/zinc/77/50/80/526775080.db2.gz YLGYDUXBGVMAQC-LBPRGKRZSA-N 2 0 264.413 3.460 10 0 CGAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712085628 567837257 /nfs/dbraw/zinc/83/72/57/567837257.db2.gz MWAOGLCFTKDZFO-CYBMUJFWSA-N 2 0 252.446 3.403 10 0 CGAERP CC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1C(C)C ZINC000082434505 178011722 /nfs/dbraw/zinc/01/17/22/178011722.db2.gz FYYTUJXQIYSKRY-UHFFFAOYSA-N 2 0 283.485 3.260 10 0 CGAERP [NH3+]C[C@H]1CCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096897646 185125832 /nfs/dbraw/zinc/12/58/32/185125832.db2.gz QRTFYOMZNUILEI-SJORKVTESA-N 2 0 258.409 3.028 10 0 CGAERP [NH3+]C[C@H]1CCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096897645 185126042 /nfs/dbraw/zinc/12/60/42/185126042.db2.gz QRTFYOMZNUILEI-IAGOWNOFSA-N 2 0 258.409 3.028 10 0 CGAERP C[NH2+]CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000114231079 345963799 /nfs/dbraw/zinc/96/37/99/345963799.db2.gz XMSPGGSXEXCHEM-UHFFFAOYSA-N 2 0 251.333 3.019 10 0 CGAERP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000629531488 350704014 /nfs/dbraw/zinc/70/40/14/350704014.db2.gz MWVJYJOZPRZIAW-RYUDHWBXSA-N 2 0 262.388 3.036 10 0 CGAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037220702 541863969 /nfs/dbraw/zinc/86/39/69/541863969.db2.gz PZFPYYZYJLXPHI-CABCVRRESA-N 2 0 260.425 3.376 10 0 CGAERP CCC1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000042577326 541873102 /nfs/dbraw/zinc/87/31/02/541873102.db2.gz YRTAZKUFXLZDQQ-VQCLRJIVSA-N 2 0 252.446 3.275 10 0 CGAERP Cc1cccc(NC[C@H]2CCN(c3cc[nH+]cc3C)C2)[nH+]1 ZINC000191980143 375686357 /nfs/dbraw/zinc/68/63/57/375686357.db2.gz CAKWSDMTXGOTIO-OAHLLOKOSA-N 2 0 282.391 3.032 10 0 CGAERP c1csc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)c1 ZINC000193458665 375881004 /nfs/dbraw/zinc/88/10/04/375881004.db2.gz OJQIBTFYHXXGTQ-CQSZACIVSA-N 2 0 264.438 3.371 10 0 CGAERP Cc1csc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245599509 376865421 /nfs/dbraw/zinc/86/54/21/376865421.db2.gz ILLTVRZIVUHDJX-HUUCEWRRSA-N 2 0 293.480 3.115 10 0 CGAERP C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000582354457 378306046 /nfs/dbraw/zinc/30/60/46/378306046.db2.gz MFJZSUGTCKEUGV-GDBMZVCRSA-N 2 0 268.404 3.318 10 0 CGAERP Cc1cccc(NC[C@H]2CCN(c3cc[nH+]c(C)c3)C2)[nH+]1 ZINC000274399624 378826718 /nfs/dbraw/zinc/82/67/18/378826718.db2.gz XQVDUBANXVRQJK-OAHLLOKOSA-N 2 0 282.391 3.032 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000400323901 379948028 /nfs/dbraw/zinc/94/80/28/379948028.db2.gz BWKWYAJRSCVOMO-GMXVVIOVSA-N 2 0 286.341 3.354 10 0 CGAERP CC(C)C[NH+](CC(C)C)C1CC2(C1)CC[NH2+]CC2 ZINC000675069206 543312892 /nfs/dbraw/zinc/31/28/92/543312892.db2.gz CVEMEJWMDAMHSI-UHFFFAOYSA-N 2 0 252.446 3.133 10 0 CGAERP CCCn1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000091009817 165251695 /nfs/dbraw/zinc/25/16/95/165251695.db2.gz VDXFWWIMROBKGV-UHFFFAOYSA-N 2 0 277.456 3.297 10 0 CGAERP CCCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000020967395 171282202 /nfs/dbraw/zinc/28/22/02/171282202.db2.gz VAROVFSTPXJQQQ-UHFFFAOYSA-N 2 0 296.842 3.218 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+]CCc2cccs2)CC1 ZINC000037210065 173032157 /nfs/dbraw/zinc/03/21/57/173032157.db2.gz UOCJSYAPIBTIFH-ZDUSSCGKSA-N 2 0 266.454 3.001 10 0 CGAERP Cc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040749267 174393952 /nfs/dbraw/zinc/39/39/52/174393952.db2.gz GAHQVZQLHBIMPY-MQVJKMGUSA-N 2 0 258.409 3.066 10 0 CGAERP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](C)C[NH3+] ZINC000043511973 175060610 /nfs/dbraw/zinc/06/06/10/175060610.db2.gz QQBWNOUGIVGQPG-LLVKDONJSA-N 2 0 274.330 3.122 10 0 CGAERP Cc1ncc(C[NH2+]CCC[C@@H]([NH3+])c2ccccc2)s1 ZINC000071401884 176154042 /nfs/dbraw/zinc/15/40/42/176154042.db2.gz XNCPFTUXXVOYAD-OAHLLOKOSA-N 2 0 275.421 3.021 10 0 CGAERP C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000665239268 419089085 /nfs/dbraw/zinc/08/90/85/419089085.db2.gz PSBNSZZDHISCCT-LEOABGAYSA-N 2 0 252.446 3.036 10 0 CGAERP Cc1[nH+]c2ccccc2c(N2CCC3(CC[NH2+]3)CC2)c1C ZINC000335018929 282073106 /nfs/dbraw/zinc/07/31/06/282073106.db2.gz XEQSKEUJDNADHC-UHFFFAOYSA-N 2 0 281.403 3.184 10 0 CGAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551935 295239847 /nfs/dbraw/zinc/23/98/47/295239847.db2.gz BOKYPYLSGRBPPW-CHWSQXEVSA-N 2 0 260.372 3.015 10 0 CGAERP Cc1cc[n+](CCCCCC[n+]2ccc(C)cc2)cc1 ZINC000048520944 301464564 /nfs/dbraw/zinc/46/45/64/301464564.db2.gz QEAKNYJQLFCBBM-UHFFFAOYSA-N 2 0 270.420 3.139 10 0 CGAERP CCOc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383656094 336116210 /nfs/dbraw/zinc/11/62/10/336116210.db2.gz PFMAACXDQCOZNJ-JKIFEVAISA-N 2 0 276.424 3.063 10 0 CGAERP CC[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517691 519920293 /nfs/dbraw/zinc/92/02/93/519920293.db2.gz DQIORGHQTUGBCZ-GDBMZVCRSA-N 2 0 252.446 3.419 10 0 CGAERP CCC[NH2+]Cc1cc(C[NH+]2CCCCC2)oc1C ZINC000052421193 519945144 /nfs/dbraw/zinc/94/51/44/519945144.db2.gz HAWNRHRNPPZDLC-UHFFFAOYSA-N 2 0 250.386 3.074 10 0 CGAERP CCCCC[N@H+](Cc1csc(C[NH2+]C)n1)C(C)C ZINC000052544702 520174050 /nfs/dbraw/zinc/17/40/50/520174050.db2.gz RUWCGSGCHKTBHY-UHFFFAOYSA-N 2 0 269.458 3.263 10 0 CGAERP C[NH2+]Cc1occc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513662 522164107 /nfs/dbraw/zinc/16/41/07/522164107.db2.gz DYSLCRFFXWHOBR-OCCSQVGLSA-N 2 0 250.386 3.010 10 0 CGAERP C[N@@H+](Cc1ccccc1C[NH2+]C(C)(C)C)CC1CC1 ZINC000052483712 523359066 /nfs/dbraw/zinc/35/90/66/523359066.db2.gz ZXXQWCVOVZHPKP-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP CC[C@H](C)C[N@H+](C)Cc1ccoc1C[NH2+]C1CC1 ZINC000052454070 523868434 /nfs/dbraw/zinc/86/84/34/523868434.db2.gz RCBJTSRKOFSUJR-LBPRGKRZSA-N 2 0 250.386 3.010 10 0 CGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052379000 524114869 /nfs/dbraw/zinc/11/48/69/524114869.db2.gz XRGWCNKTHISPEU-CQSZACIVSA-N 2 0 258.409 3.313 10 0 CGAERP C[C@H]1CC[N@H+](Cc2c3ccccc3sc2C[NH3+])C1 ZINC000052484515 524291539 /nfs/dbraw/zinc/29/15/39/524291539.db2.gz SJYUYJLGJVHGRO-NSHDSACASA-N 2 0 260.406 3.202 10 0 CGAERP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000049856278 571984750 /nfs/dbraw/zinc/98/47/50/571984750.db2.gz FWKOHYURJKITQZ-CHWSQXEVSA-N 2 0 252.427 3.273 10 0 CGAERP CC(C)[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)(C)C ZINC000082440817 178019620 /nfs/dbraw/zinc/01/96/20/178019620.db2.gz CFCDQHUVVQPYBX-UHFFFAOYSA-N 2 0 283.485 3.043 10 0 CGAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)(C)C ZINC000082440818 178019656 /nfs/dbraw/zinc/01/96/56/178019656.db2.gz RVTITINLOQCKBY-UHFFFAOYSA-N 2 0 283.485 3.044 10 0 CGAERP CC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1C(C)(C)C ZINC000082440845 178020420 /nfs/dbraw/zinc/02/04/20/178020420.db2.gz ASORHCLQDFDPOW-UHFFFAOYSA-N 2 0 297.512 3.434 10 0 CGAERP CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000178522100 529535056 /nfs/dbraw/zinc/53/50/56/529535056.db2.gz IDLCVYVQESGTNE-OAHLLOKOSA-N 2 0 281.403 3.082 10 0 CGAERP c1nc(CC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000141724580 346109597 /nfs/dbraw/zinc/10/95/97/346109597.db2.gz LDOHAXPAOAYGTO-QGZVFWFLSA-N 2 0 269.392 3.397 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C3CCCC3)[C@H]2C1 ZINC000409430175 346604741 /nfs/dbraw/zinc/60/47/41/346604741.db2.gz LPZLQOCSUCFYQY-QYZOEREBSA-N 2 0 284.447 3.239 10 0 CGAERP CC[C@H](c1cccs1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104144835 185911608 /nfs/dbraw/zinc/91/16/08/185911608.db2.gz GLEIUKILQAFCBP-WCQYABFASA-N 2 0 252.427 3.258 10 0 CGAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000119097911 138366777 /nfs/dbraw/zinc/36/67/77/138366777.db2.gz ZVFGUGQZHIQJBE-UHFFFAOYSA-N 2 0 250.430 3.129 10 0 CGAERP Cc1ccc(C[N@@H+](CC(C)C)C2CC[NH2+]CC2)cc1 ZINC000036093153 369007432 /nfs/dbraw/zinc/00/74/32/369007432.db2.gz GBWQTSFXTHVNTA-UHFFFAOYSA-N 2 0 260.425 3.205 10 0 in-vivo CGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(Cl)(Cl)Cl)CC[C@@H]21 ZINC000184623512 374543255 /nfs/dbraw/zinc/54/32/55/374543255.db2.gz LJXYJTKBEXDHGL-QWRGUYRKSA-N 2 0 299.673 3.163 10 0 CGAERP CC(C)[NH2+]CCN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000193488688 375887175 /nfs/dbraw/zinc/88/71/75/375887175.db2.gz LMQCWQVRIOMAFO-OAHLLOKOSA-N 2 0 283.419 3.397 10 0 CGAERP CCN1CCC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336890928 376021554 /nfs/dbraw/zinc/02/15/54/376021554.db2.gz HZJYTDDPPHXTDO-GJZGRUSLSA-N 2 0 250.430 3.173 10 0 CGAERP CCOc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000394273215 379918543 /nfs/dbraw/zinc/91/85/43/379918543.db2.gz YOCGYYZQZOJUBR-JKIFEVAISA-N 2 0 276.424 3.063 10 0 CGAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400467024 379950942 /nfs/dbraw/zinc/95/09/42/379950942.db2.gz WIANLBOGIMMMJC-KYOSRNDESA-N 2 0 266.816 3.379 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400456519 379951067 /nfs/dbraw/zinc/95/10/67/379951067.db2.gz QBIYCFBLYQFGES-UTLUCORTSA-N 2 0 258.818 3.050 10 0 CGAERP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400535257 379951508 /nfs/dbraw/zinc/95/15/08/379951508.db2.gz SYERMLXAQMWIMP-DZKIICNBSA-N 2 0 276.424 3.122 10 0 CGAERP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085132636 287081554 /nfs/dbraw/zinc/08/15/54/287081554.db2.gz YRMUGRLUTZCQCE-QWHCGFSZSA-N 2 0 280.378 3.429 10 0 CGAERP CC1CC[NH+](CC[C@H]([NH3+])c2ccc(Cl)cc2)CC1 ZINC000020273992 171130646 /nfs/dbraw/zinc/13/06/46/171130646.db2.gz YYKKVGALUTUKHW-HNNXBMFYSA-N 2 0 266.816 3.462 10 0 CGAERP CC(C)(C)c1[nH]c2ccc(NC3CC[NH2+]CC3)cc2[nH+]1 ZINC000038040756 174041266 /nfs/dbraw/zinc/04/12/66/174041266.db2.gz UDSMNLNDCMTSOZ-UHFFFAOYSA-N 2 0 272.396 3.024 10 0 CGAERP Cc1cc(C)cc(C[N@H+](CCC[NH3+])C2CCCC2)c1 ZINC000038076706 174087681 /nfs/dbraw/zinc/08/76/81/174087681.db2.gz LQFRKSDZANCYRV-UHFFFAOYSA-N 2 0 260.425 3.397 10 0 CGAERP C[C@H]1c2ccsc2CC[N@H+]1CC1CCC([NH3+])CC1 ZINC000042781863 174877944 /nfs/dbraw/zinc/87/79/44/174877944.db2.gz TXVQFLPJMCFSSM-HIFPTAJRSA-N 2 0 264.438 3.185 10 0 CGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000129721372 287338085 /nfs/dbraw/zinc/33/80/85/287338085.db2.gz CYSBWUITEPMICU-DYVFJYSZSA-N 2 0 269.392 3.375 10 0 CGAERP CC(C)CC[NH+](CCC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000232549857 287645607 /nfs/dbraw/zinc/64/56/07/287645607.db2.gz ZFWPMKSYBSZUNM-INIZCTEOSA-N 2 0 254.462 3.380 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400805045 278364191 /nfs/dbraw/zinc/36/41/91/278364191.db2.gz VWQBGOHKMXHLJH-LOWVWBTDSA-N 2 0 297.240 3.098 10 0 CGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423095307 279367385 /nfs/dbraw/zinc/36/73/85/279367385.db2.gz DQIVFOAVJMAFML-UUAJXVIYSA-N 2 0 282.472 3.090 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000400323903 279497926 /nfs/dbraw/zinc/49/79/26/279497926.db2.gz BWKWYAJRSCVOMO-GVXVVHGQSA-N 2 0 286.341 3.354 10 0 CGAERP Cc1ccc2[nH+]ccc(N3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC000334988956 281169133 /nfs/dbraw/zinc/16/91/33/281169133.db2.gz DDTGIEMZNZSWJB-UHFFFAOYSA-N 2 0 281.403 3.123 10 0 CGAERP C(C[C@@H]1CCCC[NH2+]1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000050952771 518393452 /nfs/dbraw/zinc/39/34/52/518393452.db2.gz NDAGYWRSHSZYIM-BBWFWOEESA-N 2 0 264.457 3.421 10 0 CGAERP CCC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052480625 521034987 /nfs/dbraw/zinc/03/49/87/521034987.db2.gz KOHOYZBZLCHVJI-LBPRGKRZSA-N 2 0 267.417 3.183 10 0 CGAERP C[C@@H]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206109 524158241 /nfs/dbraw/zinc/15/82/41/524158241.db2.gz UCZWZECWKLGNKD-PMPSAXMXSA-N 2 0 252.446 3.277 10 0 CGAERP Cc1cccc(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)c1 ZINC000062657645 524391947 /nfs/dbraw/zinc/39/19/47/524391947.db2.gz VYYTXAAQRGIPEZ-KRWDZBQOSA-N 2 0 260.425 3.205 10 0 CGAERP C[C@@H]1CC[N@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000052484362 524513329 /nfs/dbraw/zinc/51/33/29/524513329.db2.gz UVHZWPRRPOMODD-CQSZACIVSA-N 2 0 260.425 3.417 10 0 CGAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052373275 525642966 /nfs/dbraw/zinc/64/29/66/525642966.db2.gz JZQUWBDMZHWLOQ-QWHCGFSZSA-N 2 0 262.397 3.152 10 0 CGAERP Cc1oc(C[NH2+]CC(C)C)cc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484675 526775457 /nfs/dbraw/zinc/77/54/57/526775457.db2.gz ROUNYMAQSFZLII-ZDUSSCGKSA-N 2 0 264.413 3.175 10 0 CGAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712095127 567837238 /nfs/dbraw/zinc/83/72/38/567837238.db2.gz RMNFLKKALNVXKZ-CYBMUJFWSA-N 2 0 252.446 3.405 10 0 CGAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCc1ccccc1 ZINC000019912942 634375797 /nfs/dbraw/zinc/37/57/97/634375797.db2.gz VVKQMQIPRPTNMU-INIZCTEOSA-N 2 0 260.425 3.083 10 0 CGAERP CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(Cl)cc21 ZINC000082509373 178076390 /nfs/dbraw/zinc/07/63/90/178076390.db2.gz IZQICDRUKGSOKT-CQSZACIVSA-N 2 0 294.826 3.238 10 0 CGAERP C[NH+](C)CCC[N@@H+]1CCC2(C1)CCCCCCC2 ZINC000584624910 346697321 /nfs/dbraw/zinc/69/73/21/346697321.db2.gz LYZJZKNEXVNBGK-UHFFFAOYSA-N 2 0 252.446 3.375 10 0 CGAERP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301697409 201143669 /nfs/dbraw/zinc/14/36/69/201143669.db2.gz ZRCMAFGMPMBFTL-HNNXBMFYSA-N 2 0 283.419 3.321 10 0 CGAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[N@H+](CCC[NH3+])Cc1ccco1 ZINC000032919845 368952533 /nfs/dbraw/zinc/95/25/33/368952533.db2.gz ZSXDGBYADISEHJ-LZWOXQAQSA-N 2 0 264.413 3.255 10 0 CGAERP [NH3+]Cc1ccccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000039381938 369150356 /nfs/dbraw/zinc/15/03/56/369150356.db2.gz UUJYNYPLIGRUQA-UHFFFAOYSA-N 2 0 295.430 3.222 10 0 CGAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000422741192 371777648 /nfs/dbraw/zinc/77/76/48/371777648.db2.gz CTMUSJMOYNABRI-ZEIJEMSESA-N 2 0 264.800 3.274 10 0 CGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037220699 541864435 /nfs/dbraw/zinc/86/44/35/541864435.db2.gz PZFPYYZYJLXPHI-GJZGRUSLSA-N 2 0 260.425 3.376 10 0 CGAERP CCN1CC[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000328321109 374363828 /nfs/dbraw/zinc/36/38/28/374363828.db2.gz DVFMYMVXMJLDSL-OCCSQVGLSA-N 2 0 280.412 3.046 10 0 CGAERP Cc1cccc(NC[C@@H]2CCN(c3cc[nH+]cc3C)C2)[nH+]1 ZINC000191980136 375685916 /nfs/dbraw/zinc/68/59/16/375685916.db2.gz CAKWSDMTXGOTIO-HNNXBMFYSA-N 2 0 282.391 3.032 10 0 CGAERP CCC1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000165983753 542173567 /nfs/dbraw/zinc/17/35/67/542173567.db2.gz KNOZRBCLYLXCFF-LBDPXKHJSA-N 2 0 252.446 3.275 10 0 CGAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000392232902 379911364 /nfs/dbraw/zinc/91/13/64/379911364.db2.gz SYUKHLUSVMEKBJ-HOTGVXAUSA-N 2 0 264.457 3.443 10 0 CGAERP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000389475482 379897728 /nfs/dbraw/zinc/89/77/28/379897728.db2.gz WBYSTZSBBUXULZ-GRDNDAEWSA-N 2 0 258.409 3.309 10 0 CGAERP C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000231463441 542304403 /nfs/dbraw/zinc/30/44/03/542304403.db2.gz LYPYNDLGGXOTAD-MRXNPFEDSA-N 2 0 258.409 3.138 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1C ZINC000678744200 543552237 /nfs/dbraw/zinc/55/22/37/543552237.db2.gz ZXLJLCHBGCPTSJ-NVXWUHKLSA-N 2 0 260.425 3.438 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000422686917 287051085 /nfs/dbraw/zinc/05/10/85/287051085.db2.gz BBRLEGOBCVBLRY-QWHCGFSZSA-N 2 0 260.425 3.243 10 0 CGAERP CC(C)CCn1c2ccccc2nc1NCC[NH+](C)C ZINC000005817268 170142974 /nfs/dbraw/zinc/14/29/74/170142974.db2.gz RKIHXNPEZRCWSP-UHFFFAOYSA-N 2 0 274.412 3.056 10 0 CGAERP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128574 171015548 /nfs/dbraw/zinc/01/55/48/171015548.db2.gz CZLGLUVEMVJZJP-RHSMWYFYSA-N 2 0 260.425 3.417 10 0 CGAERP CC(C)[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000020188996 171054095 /nfs/dbraw/zinc/05/40/95/171054095.db2.gz ZRWFOZNPWFYALK-MZBDJJRSSA-N 2 0 252.446 3.274 10 0 CGAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000038030850 174023589 /nfs/dbraw/zinc/02/35/89/174023589.db2.gz PWFQXBVVWKJZCI-AWEZNQCLSA-N 2 0 286.444 3.456 10 0 CGAERP CC(C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000045206496 175328174 /nfs/dbraw/zinc/32/81/74/175328174.db2.gz KACMKJAGQRCANC-UHFFFAOYSA-N 2 0 252.427 3.232 10 0 CGAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400467026 276638155 /nfs/dbraw/zinc/63/81/55/276638155.db2.gz WIANLBOGIMMMJC-LNSITVRQSA-N 2 0 266.816 3.379 10 0 CGAERP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485576 280334242 /nfs/dbraw/zinc/33/42/42/280334242.db2.gz XJAZPHQVWRSSTR-XPKDYRNWSA-N 2 0 264.388 3.110 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@@H+]2CCCC[C@H]2C)oc1C ZINC000052378671 519946069 /nfs/dbraw/zinc/94/60/69/519946069.db2.gz XMXFKVGXPNAJDX-CYBMUJFWSA-N 2 0 264.413 3.462 10 0 CGAERP CCC(CC)[N@H+](C)Cc1ccoc1C[NH2+]C1CC1 ZINC000052478082 521543632 /nfs/dbraw/zinc/54/36/32/521543632.db2.gz KLWKUHDYVYKDSD-UHFFFAOYSA-N 2 0 250.386 3.152 10 0 CGAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328754 519688336 /nfs/dbraw/zinc/68/83/36/519688336.db2.gz DEQSENIXUYHQAM-UKRRQHHQSA-N 2 0 278.465 3.445 10 0 CGAERP CCCC[N@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052417941 520420732 /nfs/dbraw/zinc/42/07/32/520420732.db2.gz OCFJROKFNBHPMC-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052377194 521026264 /nfs/dbraw/zinc/02/62/64/521026264.db2.gz OFPAGKCYTXJMFG-UHFFFAOYSA-N 2 0 258.409 3.171 10 0 CGAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)CC1CCCCC1 ZINC000050953372 522788045 /nfs/dbraw/zinc/78/80/45/522788045.db2.gz JBNGEFQUSGTBNS-MRXNPFEDSA-N 2 0 252.446 3.421 10 0 CGAERP CC[C@H]1CCCC[N@@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052447421 523029631 /nfs/dbraw/zinc/02/96/31/523029631.db2.gz MBZXKPCHILJFGN-AWEZNQCLSA-N 2 0 250.386 3.072 10 0 CGAERP Cc1oc(C[N@@H+](C)C2CC2)cc1C[NH2+]C(C)(C)C ZINC000052445291 526768803 /nfs/dbraw/zinc/76/88/03/526768803.db2.gz IVIHYXBDTOOCDJ-UHFFFAOYSA-N 2 0 250.386 3.070 10 0 CGAERP Cc1oc(C[NH+]2CCCCC2)cc1C[NH2+]CC(C)C ZINC000052421197 526771699 /nfs/dbraw/zinc/77/16/99/526771699.db2.gz WHNJCDQAKHUCAR-UHFFFAOYSA-N 2 0 264.413 3.320 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423373704 527809633 /nfs/dbraw/zinc/80/96/33/527809633.db2.gz JJMJCIYFMNVXAX-LYYZXLFJSA-N 2 0 252.446 3.177 10 0 CGAERP CCCc1nc(CC[NH+](CC)CC)sc1C[NH2+]CC ZINC000082428841 178005409 /nfs/dbraw/zinc/00/54/09/178005409.db2.gz COZSZZKXRYHRLY-UHFFFAOYSA-N 2 0 283.485 3.089 10 0 CGAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839651 351150353 /nfs/dbraw/zinc/15/03/53/351150353.db2.gz JCCRRGRJPQWTKJ-NJZAAPMLSA-N 2 0 266.816 3.318 10 0 CGAERP C[NH+](C)CCCC(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000026488159 368859893 /nfs/dbraw/zinc/85/98/93/368859893.db2.gz HIEXQULZQQTOLU-UHFFFAOYSA-N 2 0 282.431 3.273 10 0 CGAERP CC(C)n1cc(C[NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000057353474 369536720 /nfs/dbraw/zinc/53/67/20/369536720.db2.gz CGMFEIQYQJQPTK-UHFFFAOYSA-N 2 0 285.435 3.311 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729845 371770443 /nfs/dbraw/zinc/77/04/43/371770443.db2.gz LCNLJXGBDSYJND-MZJLOALESA-N 2 0 264.457 3.320 10 0 CGAERP Cc1[nH+]c2ccccc2c(N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000181891174 374187226 /nfs/dbraw/zinc/18/72/26/374187226.db2.gz HADKLSGTKQHPLQ-OAHLLOKOSA-N 2 0 281.403 3.136 10 0 CGAERP C[NH+](C)CCC[N@@H+]1CCC2(C1)CC[Si](C)(C)CC2 ZINC000195286633 376094602 /nfs/dbraw/zinc/09/46/02/376094602.db2.gz MQYGEGPEKLWUME-UHFFFAOYSA-N 2 0 268.521 3.132 10 0 CGAERP CCC1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000246997252 542329324 /nfs/dbraw/zinc/32/93/24/542329324.db2.gz KNOZRBCLYLXCFF-PRLABOORSA-N 2 0 252.446 3.275 10 0 CGAERP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc[nH+]1 ZINC000162724104 291966209 /nfs/dbraw/zinc/96/62/09/291966209.db2.gz LIFMQNJEENXIKE-CZUORRHYSA-N 2 0 261.413 3.312 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392197931 542612656 /nfs/dbraw/zinc/61/26/56/542612656.db2.gz VMKPUJFSTSQGFJ-HYVNUMGLSA-N 2 0 264.457 3.299 10 0 CGAERP FC1(F)CCCC[C@@H]1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000381615918 392911397 /nfs/dbraw/zinc/91/13/97/392911397.db2.gz QGEVIMTUNIRNLL-CQSZACIVSA-N 2 0 286.410 3.276 10 0 CGAERP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381564172 392911686 /nfs/dbraw/zinc/91/16/86/392911686.db2.gz IMMLKCBGFYYATA-RWMBFGLXSA-N 2 0 260.372 3.014 10 0 CGAERP FC1(F)CCCC[C@H]1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000381743347 392913388 /nfs/dbraw/zinc/91/33/88/392913388.db2.gz UWYUYUNXCVUKKR-LSDHHAIUSA-N 2 0 286.410 3.276 10 0 CGAERP CC[NH+](CC)CCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661825 172339810 /nfs/dbraw/zinc/33/98/10/172339810.db2.gz WYRUTJLSFQIZGA-UHFFFAOYSA-N 2 0 291.222 3.173 10 0 CGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000037221389 173040585 /nfs/dbraw/zinc/04/05/85/173040585.db2.gz HVJBSVGJLLNUGL-STQMWFEESA-N 2 0 264.388 3.207 10 0 CGAERP C[C@H](c1ccc(Cl)s1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512246 175188139 /nfs/dbraw/zinc/18/81/39/175188139.db2.gz SOTLIRXDOQKYIR-SECBINFHSA-N 2 0 258.818 3.133 10 0 CGAERP CC[N@H+](Cc1ccccc1)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725271158 544115439 /nfs/dbraw/zinc/11/54/39/544115439.db2.gz YAHSBDBVRNRSNP-CGZBRXJRSA-N 2 0 258.409 3.169 10 0 CGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000336565808 278464587 /nfs/dbraw/zinc/46/45/87/278464587.db2.gz PFHPSLAHFMKXOZ-DOMZBBRYSA-N 2 0 286.410 3.417 10 0 CGAERP CC[C@H](c1ccc(C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312035241 288152611 /nfs/dbraw/zinc/15/26/11/288152611.db2.gz YYKKGLNKSPHEGF-DJIMGWMZSA-N 2 0 260.425 3.363 10 0 CGAERP CCC[NH2+]Cc1oc2ccccc2c1C[N@H+](C)CC ZINC000052446020 519973065 /nfs/dbraw/zinc/97/30/65/519973065.db2.gz DRHBKCJOWFMAFT-UHFFFAOYSA-N 2 0 260.381 3.384 10 0 CGAERP CC(C)C1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000054557509 519563199 /nfs/dbraw/zinc/56/31/99/519563199.db2.gz RQQZTBSDGYHADH-HXGYVLDSSA-N 2 0 264.457 3.416 10 0 CGAERP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381227 519727764 /nfs/dbraw/zinc/72/77/64/519727764.db2.gz LYRIDEOTCFYALH-ZDUSSCGKSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(C[NH+]2CCCCC2)o1 ZINC000052421203 519747099 /nfs/dbraw/zinc/74/70/99/519747099.db2.gz MTWYPCQMJGEGJI-UHFFFAOYSA-N 2 0 250.386 3.011 10 0 CGAERP CC(C)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554145 519799688 /nfs/dbraw/zinc/79/96/88/519799688.db2.gz OFIROSGVRQXBGK-GXTWGEPZSA-N 2 0 254.443 3.375 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](C)C[C@H](C)CC)c(C)o1 ZINC000052454390 519986584 /nfs/dbraw/zinc/98/65/84/519986584.db2.gz AZUGPTQYTOIURC-GFCCVEGCSA-N 2 0 252.402 3.175 10 0 CGAERP CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000052509949 519996722 /nfs/dbraw/zinc/99/67/22/519996722.db2.gz RTTFKHVHVBVGJC-OLZOCXBDSA-N 2 0 250.386 3.010 10 0 CGAERP CCCCC[N@H+](Cc1ccoc1C[NH2+]C)C(C)C ZINC000052544786 520174473 /nfs/dbraw/zinc/17/44/73/520174473.db2.gz UYQWNZJXDGLAHV-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CCO[C@H]1CCC[N@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052372282 520527585 /nfs/dbraw/zinc/52/75/85/520527585.db2.gz PASCWXAKANBCIM-HNNXBMFYSA-N 2 0 270.461 3.046 10 0 CGAERP CCCC[N@H+](Cc1ccoc1C[NH2+]C)[C@H](C)CC ZINC000052372676 520550360 /nfs/dbraw/zinc/55/03/60/520550360.db2.gz LRDXQZJQEDONFZ-CYBMUJFWSA-N 2 0 252.402 3.400 10 0 CGAERP CC[N@H+](C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C)C1CC1 ZINC000054559723 521233123 /nfs/dbraw/zinc/23/31/23/521233123.db2.gz HCVVATLEYAPJQB-YCPHGPKFSA-N 2 0 252.446 3.131 10 0 CGAERP CC[N@H+](Cc1cccs1)Cc1ccccc1C[NH2+]C ZINC000052546441 521407169 /nfs/dbraw/zinc/40/71/69/521407169.db2.gz NWUHQLYSSTYIIL-UHFFFAOYSA-N 2 0 274.433 3.490 10 0 CGAERP CC[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052447857 523179233 /nfs/dbraw/zinc/17/92/33/523179233.db2.gz AZPNPAWCTMQPBW-CQSZACIVSA-N 2 0 250.386 3.072 10 0 CGAERP Cc1cc(C[N@H+](C)C(C)C)oc1C[NH2+]CC(C)C ZINC000052419737 524658588 /nfs/dbraw/zinc/65/85/88/524658588.db2.gz VXJQTPPAEWEVSW-UHFFFAOYSA-N 2 0 252.402 3.174 10 0 CGAERP C[C@H](C1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197506 526215499 /nfs/dbraw/zinc/21/54/99/526215499.db2.gz LNFQZCZCWUYZEX-RHSMWYFYSA-N 2 0 264.457 3.419 10 0 CGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000234695973 138511512 /nfs/dbraw/zinc/51/15/12/138511512.db2.gz VBIJUXMYYDHANC-PBHICJAKSA-N 2 0 278.440 3.215 10 0 CGAERP CCCn1cc(C[NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000057353482 369535940 /nfs/dbraw/zinc/53/59/40/369535940.db2.gz FSZYABBDLOVWPB-UHFFFAOYSA-N 2 0 285.435 3.141 10 0 CGAERP FC1(F)CCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336187470 375754890 /nfs/dbraw/zinc/75/48/90/375754890.db2.gz BXLGUYFSHMOJRI-CABCVRRESA-N 2 0 286.410 3.372 10 0 CGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2c2nccs2)CC[NH2+]1 ZINC000414700705 380380458 /nfs/dbraw/zinc/38/04/58/380380458.db2.gz VBDSMVLEOSQMCF-HZSPNIEDSA-N 2 0 279.453 3.058 10 0 CGAERP CCC[NH+]1CCC([NH2+][C@H](C)COCc2ccccc2)CC1 ZINC000390594644 542610642 /nfs/dbraw/zinc/61/06/42/542610642.db2.gz RYDXFDOJMHAAKN-MRXNPFEDSA-N 2 0 290.451 3.056 10 0 CGAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381724180 392913328 /nfs/dbraw/zinc/91/33/28/392913328.db2.gz RXRUJJMLHXKEHH-OLZOCXBDSA-N 2 0 260.372 3.015 10 0 CGAERP FC1(F)CCCC[C@@H]1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000381743346 392913954 /nfs/dbraw/zinc/91/39/54/392913954.db2.gz UWYUYUNXCVUKKR-HUUCEWRRSA-N 2 0 286.410 3.276 10 0 CGAERP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000037099582 397607672 /nfs/dbraw/zinc/60/76/72/397607672.db2.gz QMZICMFRKZLFRW-KWCYVHTRSA-N 2 0 292.389 3.427 10 0 CGAERP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC000168639614 278314046 /nfs/dbraw/zinc/31/40/46/278314046.db2.gz AASNBEBRRIPPTH-IXRCJPEJSA-N 2 0 276.468 3.262 10 0 CGAERP CC[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311405440 288166394 /nfs/dbraw/zinc/16/63/94/288166394.db2.gz WDCSTIYHTQAJKM-DAXOMENPSA-N 2 0 264.388 3.194 10 0 CGAERP C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000570708814 322280234 /nfs/dbraw/zinc/28/02/34/322280234.db2.gz UEJGPPVIQHAXOL-UONOGXRCSA-N 2 0 250.430 3.101 10 0 CGAERP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382524871 336092191 /nfs/dbraw/zinc/09/21/91/336092191.db2.gz UUXQFLBXRVRMGT-XJKCOSOUSA-N 2 0 280.843 3.188 10 0 CGAERP CC(C)[N@H+](CCC[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000052764630 519644648 /nfs/dbraw/zinc/64/46/48/519644648.db2.gz CYBNJDFFFZAZCF-AWEZNQCLSA-N 2 0 266.454 3.491 10 0 CGAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420801 519743633 /nfs/dbraw/zinc/74/36/33/519743633.db2.gz GESMLDYHJSWGON-XHSDSOJGSA-N 2 0 254.462 3.379 10 0 CGAERP CC[NH2+]CCCCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482355 519919539 /nfs/dbraw/zinc/91/95/39/519919539.db2.gz QXCOPJNFZXVUGF-HZPDHXFCSA-N 2 0 252.446 3.278 10 0 CGAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@H](C)C1CC1 ZINC000052479105 519972482 /nfs/dbraw/zinc/97/24/82/519972482.db2.gz HSCVAYQDBVCIQH-GFCCVEGCSA-N 2 0 250.386 3.010 10 0 CGAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000052373297 519995575 /nfs/dbraw/zinc/99/55/75/519995575.db2.gz QSICQUSWHXYKJY-OLZOCXBDSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCCC1(C)C ZINC000063073815 519748005 /nfs/dbraw/zinc/74/80/05/519748005.db2.gz CTTGHDVAVOAURY-UHFFFAOYSA-N 2 0 264.413 3.400 10 0 CGAERP CC(C)C[NH2+]Cc1occc1C[N@H+](C)CC(C)C ZINC000052452867 519748957 /nfs/dbraw/zinc/74/89/57/519748957.db2.gz JFWJTXUCYNKMGE-UHFFFAOYSA-N 2 0 252.402 3.113 10 0 CGAERP CCCC[N@H+](Cc1ccoc1C[NH2+]C)[C@@H](C)CC ZINC000052372675 520550443 /nfs/dbraw/zinc/55/04/43/520550443.db2.gz LRDXQZJQEDONFZ-ZDUSSCGKSA-N 2 0 252.402 3.400 10 0 CGAERP CC[N@H+](CCCC[NH2+]C(C)(C)C)Cc1ccncc1 ZINC000052514833 521005259 /nfs/dbraw/zinc/00/52/59/521005259.db2.gz ITGWZXHLVMFFDA-UHFFFAOYSA-N 2 0 263.429 3.072 10 0 CGAERP CCC[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052444596 521502414 /nfs/dbraw/zinc/50/24/14/521502414.db2.gz RALMJFGRHAKIKF-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP C[N@H+](CCCC[NH2+]C(C)(C)C)Cc1cccc(F)c1 ZINC000052425204 522734067 /nfs/dbraw/zinc/73/40/67/522734067.db2.gz ZQVVUXQIVYGMEH-UHFFFAOYSA-N 2 0 266.404 3.426 10 0 CGAERP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000049127467 522811538 /nfs/dbraw/zinc/81/15/38/522811538.db2.gz CSBROVAMTVHZGK-MRXNPFEDSA-N 2 0 261.413 3.075 10 0 CGAERP CC[C@@H]1CCC[N@H+](Cc2occc2C[NH2+]C(C)C)C1 ZINC000052479681 523252969 /nfs/dbraw/zinc/25/29/69/523252969.db2.gz YWBPISKZAQGWML-CQSZACIVSA-N 2 0 264.413 3.400 10 0 CGAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1cc2c(s1)CCC2 ZINC000052205796 523798322 /nfs/dbraw/zinc/79/83/22/523798322.db2.gz YFXAAZNESNVADX-AWEZNQCLSA-N 2 0 278.465 3.201 10 0 CGAERP Cc1nc(C[N@@H+](C)[C@@H](C)CCC[NH2+]CC(C)C)cs1 ZINC000052505911 526844458 /nfs/dbraw/zinc/84/44/58/526844458.db2.gz VRZVNCJWINBVMR-ZDUSSCGKSA-N 2 0 283.485 3.298 10 0 CGAERP CC[C@@H]1CC[N@H+](CC2(C)CCCC2)CC[C@H](C)[NH2+]1 ZINC000104442347 186004267 /nfs/dbraw/zinc/00/42/67/186004267.db2.gz SDZQOADDZWCIJO-LSDHHAIUSA-N 2 0 252.446 3.419 10 0 CGAERP C[C@H]1[C@H]([N@H+](CCC[NH3+])Cc2ccco2)CCC[C@@H]1C ZINC000032919842 368952559 /nfs/dbraw/zinc/95/25/59/368952559.db2.gz ZSXDGBYADISEHJ-SQWLQELKSA-N 2 0 264.413 3.255 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000422742925 296145071 /nfs/dbraw/zinc/14/50/71/296145071.db2.gz HGUICLOVUMBEMY-BDAKNGLRSA-N 2 0 273.207 3.252 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000517239803 296149068 /nfs/dbraw/zinc/14/90/68/296149068.db2.gz UFIXAZINUBCTES-UHBNBOLRSA-N 2 0 264.457 3.179 10 0 CGAERP c1ccc(C[NH+]2CCC(CC[NH2+]C3CC3)CC2)cc1 ZINC000095081675 370170793 /nfs/dbraw/zinc/17/07/93/370170793.db2.gz YNWUGEDXTCMETN-UHFFFAOYSA-N 2 0 258.409 3.041 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179534 377275757 /nfs/dbraw/zinc/27/57/57/377275757.db2.gz WDPKRDACPDKNDM-SJLPKXTDSA-N 2 0 295.430 3.151 10 0 CGAERP Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000301233235 392585647 /nfs/dbraw/zinc/58/56/47/392585647.db2.gz KKBZTQWEMVHMIY-HNNXBMFYSA-N 2 0 281.403 3.218 10 0 CGAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000302167444 392610769 /nfs/dbraw/zinc/61/07/69/392610769.db2.gz RZJWYYKBNQWHKY-OAHLLOKOSA-N 2 0 281.403 3.218 10 0 CGAERP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381564170 392911956 /nfs/dbraw/zinc/91/19/56/392911956.db2.gz IMMLKCBGFYYATA-AVGNSLFASA-N 2 0 260.372 3.014 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000037099581 397607773 /nfs/dbraw/zinc/60/77/73/397607773.db2.gz QMZICMFRKZLFRW-FPMFFAJLSA-N 2 0 292.389 3.427 10 0 CGAERP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000251256288 292247847 /nfs/dbraw/zinc/24/78/47/292247847.db2.gz DQWRVVRFPBPFRF-UAGQMJEPSA-N 2 0 258.409 3.272 10 0 CGAERP CCC[NH+](CCC)Cc1cc([C@H](C)[NH3+])ccc1OC ZINC000037642149 173586011 /nfs/dbraw/zinc/58/60/11/173586011.db2.gz LXJUGZJPDNGDSW-ZDUSSCGKSA-N 2 0 264.413 3.337 10 0 CGAERP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)C[NH3+] ZINC000043511972 175060510 /nfs/dbraw/zinc/06/05/10/175060510.db2.gz QQBWNOUGIVGQPG-NSHDSACASA-N 2 0 274.330 3.122 10 0 CGAERP CC(C)[NH2+]Cc1sccc1C[NH+]1CCCCC1 ZINC000045205679 175328012 /nfs/dbraw/zinc/32/80/12/175328012.db2.gz XDRVRDIUDLNNAB-UHFFFAOYSA-N 2 0 252.427 3.232 10 0 CGAERP CC(C)n1cc(C[NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000045946183 175387682 /nfs/dbraw/zinc/38/76/82/175387682.db2.gz LWZVJIVAIKHLBR-UHFFFAOYSA-N 2 0 273.424 3.264 10 0 CGAERP CCCn1cc(C[NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000045946193 175387827 /nfs/dbraw/zinc/38/78/27/175387827.db2.gz CDRPBAGNPCWREX-UHFFFAOYSA-N 2 0 273.424 3.093 10 0 CGAERP COc1ccc([C@H]([NH2+]CC(C)(C)C[NH+](C)C)C2CC2)cc1 ZINC000037197174 270028806 /nfs/dbraw/zinc/02/88/06/270028806.db2.gz MRTWNSMUIOKWIQ-QGZVFWFLSA-N 2 0 290.451 3.324 10 0 CGAERP CC(C)CC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCCC1 ZINC000400406244 277348975 /nfs/dbraw/zinc/34/89/75/277348975.db2.gz RURUZXHOOGSCRV-CABCVRRESA-N 2 0 252.446 3.181 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000386071665 336165760 /nfs/dbraw/zinc/16/57/60/336165760.db2.gz ZVDBIJDMLKOGMU-RVMXOQNASA-N 2 0 278.362 3.228 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC)[C@@H](C)CC ZINC000052450972 519959285 /nfs/dbraw/zinc/95/92/85/519959285.db2.gz GIJBJIFXAUGEFN-ZDUSSCGKSA-N 2 0 252.402 3.400 10 0 CGAERP CC(C)(C)[NH2+]Cc1coc(C[N@@H+]2CCCSCC2)c1 ZINC000052371109 518769017 /nfs/dbraw/zinc/76/90/17/518769017.db2.gz FODOBGXLTRNNKE-UHFFFAOYSA-N 2 0 282.453 3.107 10 0 CGAERP CC(C)C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012235 519744815 /nfs/dbraw/zinc/74/48/15/519744815.db2.gz UNAOSVMMKIKPFN-HOTGVXAUSA-N 2 0 260.425 3.315 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000049551886 519825806 /nfs/dbraw/zinc/82/58/06/519825806.db2.gz LYARVBVWGVEDIP-QKPAOTATSA-N 2 0 254.462 3.377 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378645 519960477 /nfs/dbraw/zinc/96/04/77/519960477.db2.gz AQTBDVZBOZTNKO-ZDUSSCGKSA-N 2 0 250.386 3.154 10 0 CGAERP CC[NH2+]Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c(C)o1 ZINC000052510326 519990117 /nfs/dbraw/zinc/99/01/17/519990117.db2.gz MHYIZJRTEHANNM-OLZOCXBDSA-N 2 0 264.413 3.318 10 0 CGAERP CCCC[N@H+](C)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052418106 520420750 /nfs/dbraw/zinc/42/07/50/520420750.db2.gz FTNRYAMCDAZPKO-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CC(C)Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131759632 528649331 /nfs/dbraw/zinc/64/93/31/528649331.db2.gz CCOINQJASBKZKE-YOEHRIQHSA-N 2 0 260.425 3.054 10 0 CGAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712035264 567836665 /nfs/dbraw/zinc/83/66/65/567836665.db2.gz WCPINLRJXVVSDQ-BBBYJDLNSA-N 2 0 252.446 3.403 10 0 CGAERP CCC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1CC ZINC000082425774 178000690 /nfs/dbraw/zinc/00/06/90/178000690.db2.gz IPFJYBMNIPAKPU-UHFFFAOYSA-N 2 0 283.485 3.089 10 0 CGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000311046405 346472928 /nfs/dbraw/zinc/47/29/28/346472928.db2.gz PWZHSUJYNKJFFY-GRYCIOLGSA-N 2 0 266.351 3.215 10 0 CGAERP [NH3+]CCCCNc1c2ccccc2[nH+]c2c1CCCCCC2 ZINC000584904566 346723857 /nfs/dbraw/zinc/72/38/57/346723857.db2.gz YZJOPPKJAPUEEJ-UHFFFAOYSA-N 2 0 297.446 3.467 10 0 CGAERP C[N@H+](CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000085636068 370019117 /nfs/dbraw/zinc/01/91/17/370019117.db2.gz NEGROWWDEPKZPQ-ULQDDVLXSA-N 2 0 294.483 3.044 10 0 CGAERP CC/C=C\CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000434503648 372684655 /nfs/dbraw/zinc/68/46/55/372684655.db2.gz PWWVNYCCFDDUAS-PYTPGESOSA-N 2 0 287.451 3.192 10 0 CGAERP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc[nH+]1 ZINC000302221959 373833032 /nfs/dbraw/zinc/83/30/32/373833032.db2.gz OEPFFIQGXZJSRK-KSSFIOAISA-N 2 0 296.418 3.108 10 0 CGAERP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183733 377277437 /nfs/dbraw/zinc/27/74/37/377277437.db2.gz WYIBOLYAQQNSTH-BFYDXBDKSA-N 2 0 289.467 3.316 10 0 CGAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261551941 295237260 /nfs/dbraw/zinc/23/72/60/295237260.db2.gz BOKYPYLSGRBPPW-STQMWFEESA-N 2 0 260.372 3.015 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000575439696 377911474 /nfs/dbraw/zinc/91/14/74/377911474.db2.gz UYCVHFHNWGPCFM-GOSISDBHSA-N 2 0 284.403 3.394 10 0 CGAERP C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000582354460 378306302 /nfs/dbraw/zinc/30/63/02/378306302.db2.gz MFJZSUGTCKEUGV-ZBFHGGJFSA-N 2 0 268.404 3.318 10 0 CGAERP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000192972765 542270303 /nfs/dbraw/zinc/27/03/03/542270303.db2.gz MLTJCUXWLVMBQP-FXFXYLOPSA-N 2 0 281.403 3.451 10 0 CGAERP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400555267 379951032 /nfs/dbraw/zinc/95/10/32/379951032.db2.gz ZAJBDPXXTBIYFL-SQWLQELKSA-N 2 0 276.424 3.122 10 0 CGAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2ccco2)CC1 ZINC000035738475 172391890 /nfs/dbraw/zinc/39/18/90/172391890.db2.gz HOSHXJWXUGXBTP-UONOGXRCSA-N 2 0 264.413 3.441 10 0 CGAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2ccco2)CC1 ZINC000035738473 172391946 /nfs/dbraw/zinc/39/19/46/172391946.db2.gz HOSHXJWXUGXBTP-KBPBESRZSA-N 2 0 264.413 3.441 10 0 CGAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC000037257425 173068485 /nfs/dbraw/zinc/06/84/85/173068485.db2.gz DVZPIUNMZMFNJW-CQSZACIVSA-N 2 0 252.446 3.277 10 0 CGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401624 176154069 /nfs/dbraw/zinc/15/40/69/176154069.db2.gz JNCKAJAPMQZSPJ-UXLLHSPISA-N 2 0 260.425 3.445 10 0 CGAERP C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000665284057 419105212 /nfs/dbraw/zinc/10/52/12/419105212.db2.gz ZNJYSSPUPPEMLW-MHABSNSOSA-N 2 0 264.457 3.323 10 0 CGAERP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247244815 275065514 /nfs/dbraw/zinc/06/55/14/275065514.db2.gz ZDUBVXLMKIJTCO-IPYPFGDCSA-N 2 0 276.449 3.342 10 0 CGAERP CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000159017909 321827213 /nfs/dbraw/zinc/82/72/13/321827213.db2.gz OUZICTNMHWMOIO-CABCVRRESA-N 2 0 278.440 3.322 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000052376967 519747251 /nfs/dbraw/zinc/74/72/51/519747251.db2.gz XTJYITRNOUDFAN-UHFFFAOYSA-N 2 0 264.413 3.257 10 0 CGAERP CCC[NH2+]Cc1occc1C[N@H+](C)CCC(C)C ZINC000052545852 519973137 /nfs/dbraw/zinc/97/31/37/519973137.db2.gz QFXCTQKCINEPSB-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC[NH2+]Cc1cc(C[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000052379045 519987182 /nfs/dbraw/zinc/98/71/82/519987182.db2.gz VQVNPTMVLPNWQT-LBPRGKRZSA-N 2 0 250.386 3.072 10 0 CGAERP CCCC[N@H+](Cc1cc(C[NH3+])oc1C)[C@@H](C)CC ZINC000052372723 520545266 /nfs/dbraw/zinc/54/52/66/520545266.db2.gz HVCJEVSVPVXUOL-LBPRGKRZSA-N 2 0 252.402 3.447 10 0 CGAERP CCC(CC)C[N@H+](CC)Cc1occc1C[NH2+]C ZINC000052540638 521519159 /nfs/dbraw/zinc/51/91/59/521519159.db2.gz SGBSKPASWMGLDV-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC(C)[NH2+]Cc1ccoc1C[NH+]1CCCCCC1 ZINC000052381846 519727682 /nfs/dbraw/zinc/72/76/82/519727682.db2.gz ZZHXZSAGWDOOLQ-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)o1 ZINC000052509947 519994725 /nfs/dbraw/zinc/99/47/25/519994725.db2.gz RTTFKHVHVBVGJC-STQMWFEESA-N 2 0 250.386 3.010 10 0 CGAERP CC[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050953301 521043933 /nfs/dbraw/zinc/04/39/33/521043933.db2.gz FURIMGMUHCECGX-CQSZACIVSA-N 2 0 266.454 3.492 10 0 CGAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545179 521996702 /nfs/dbraw/zinc/99/67/02/521996702.db2.gz RJQODAUSCDBJBT-GFCCVEGCSA-N 2 0 299.256 3.269 10 0 CGAERP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206105 524124722 /nfs/dbraw/zinc/12/47/22/524124722.db2.gz UCZWZECWKLGNKD-OAGGEKHMSA-N 2 0 252.446 3.277 10 0 CGAERP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(C)c1 ZINC000111380852 524261210 /nfs/dbraw/zinc/26/12/10/524261210.db2.gz MUYTYMWYMBOJOA-INIZCTEOSA-N 2 0 260.425 3.315 10 0 CGAERP Cc1ccc(C[N@H+]2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053012488 524467076 /nfs/dbraw/zinc/46/70/76/524467076.db2.gz UOSIPVDGPHRDGU-KRWDZBQOSA-N 2 0 260.425 3.063 10 0 CGAERP Cc1cc(C[N@@H+]2CC[C@H](C)C2)oc1C[NH2+]CC(C)C ZINC000052484778 524707376 /nfs/dbraw/zinc/70/73/76/524707376.db2.gz QYDIVPGBYLPHQA-ZDUSSCGKSA-N 2 0 264.413 3.175 10 0 CGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052379080 526251879 /nfs/dbraw/zinc/25/18/79/526251879.db2.gz BDGNTQIDWNPIMJ-AWEZNQCLSA-N 2 0 258.409 3.313 10 0 CGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCc2sccc21 ZINC000061330019 527147338 /nfs/dbraw/zinc/14/73/38/527147338.db2.gz RGOVQILFWJJZBQ-GPWHNMLOSA-N 2 0 262.422 3.080 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000409429026 346605225 /nfs/dbraw/zinc/60/52/25/346605225.db2.gz HMADQGVNEBTSJJ-AABGKKOBSA-N 2 0 292.426 3.421 10 0 CGAERP C[NH+](C)CC[C@@](C)(C[NH3+])c1cccc2ccccc21 ZINC000584615503 346693883 /nfs/dbraw/zinc/69/38/83/346693883.db2.gz YOEUNBQWGXCUED-KRWDZBQOSA-N 2 0 256.393 3.008 10 0 CGAERP CCc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000301765158 201184834 /nfs/dbraw/zinc/18/48/34/201184834.db2.gz BDNDXPLEQXBBMY-ACJLOTCBSA-N 2 0 283.419 3.184 10 0 CGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000120832663 370804511 /nfs/dbraw/zinc/80/45/11/370804511.db2.gz NTEJARIRPHRTJB-HNNXBMFYSA-N 2 0 291.345 3.134 10 0 CGAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000414863870 296166001 /nfs/dbraw/zinc/16/60/01/296166001.db2.gz YJTBPQLMJJLOOC-KBXIAJHMSA-N 2 0 252.446 3.179 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000037141599 541862232 /nfs/dbraw/zinc/86/22/32/541862232.db2.gz RRXXKPYRYVIYIF-FPMFFAJLSA-N 2 0 292.389 3.427 10 0 CGAERP CCC1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000042577324 541872844 /nfs/dbraw/zinc/87/28/44/541872844.db2.gz YRTAZKUFXLZDQQ-HLIUYOAVSA-N 2 0 252.446 3.275 10 0 CGAERP Cc1cc(N[C@H](C)CCCC[NH3+])c2ccccc2[nH+]1 ZINC000311700040 374253396 /nfs/dbraw/zinc/25/33/96/374253396.db2.gz LVQQXQAYZQQXOZ-GFCCVEGCSA-N 2 0 257.381 3.473 10 0 CGAERP CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000328364769 374364029 /nfs/dbraw/zinc/36/40/29/374364029.db2.gz QSWHCFFMSDHGPT-VXGBXAGGSA-N 2 0 284.350 3.033 10 0 CGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000246888872 377111991 /nfs/dbraw/zinc/11/19/91/377111991.db2.gz FHADPHCXMYZDIC-DGAVXFQQSA-N 2 0 292.389 3.427 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000575440489 377912342 /nfs/dbraw/zinc/91/23/42/377912342.db2.gz YNQBOOOGEFYGHW-NSHDSACASA-N 2 0 291.620 3.231 10 0 CGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000414789891 380407066 /nfs/dbraw/zinc/40/70/66/380407066.db2.gz FZMAAVQYTFYFER-JOYOIKCWSA-N 2 0 273.207 3.210 10 0 CGAERP C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000667030925 542838450 /nfs/dbraw/zinc/83/84/50/542838450.db2.gz FPERNNZGLUMERO-IJEWVQPXSA-N 2 0 252.446 3.323 10 0 CGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccco1 ZINC000020128629 171015216 /nfs/dbraw/zinc/01/52/16/171015216.db2.gz SQDRAQLUZJBLMT-CYBMUJFWSA-N 2 0 258.365 3.192 10 0 CGAERP CC1(C)CC[C@H]2C[NH2+]CC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000076697653 177061199 /nfs/dbraw/zinc/06/11/99/177061199.db2.gz NKMRDGAVHXSOCS-HOTGVXAUSA-N 2 0 258.409 3.039 10 0 CGAERP C[C@H]([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC000665233585 419087258 /nfs/dbraw/zinc/08/72/58/419087258.db2.gz LBPITKMQCDQKOB-XHSDSOJGSA-N 2 0 264.457 3.467 10 0 CGAERP C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000665264775 419096784 /nfs/dbraw/zinc/09/67/84/419096784.db2.gz IAWVESDKWROWNY-MWLCHTKSSA-N 2 0 273.207 3.081 10 0 CGAERP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000094079214 277593719 /nfs/dbraw/zinc/59/37/19/277593719.db2.gz KPFHKJGZXGDPEG-QGLTVNCISA-N 2 0 266.816 3.131 10 0 CGAERP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000398341571 288043025 /nfs/dbraw/zinc/04/30/25/288043025.db2.gz VGUFEHOZWJFBCM-SHARSMKWSA-N 2 0 252.446 3.038 10 0 CGAERP CC[NH2+]Cc1oc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1C ZINC000052510438 520027363 /nfs/dbraw/zinc/02/73/63/520027363.db2.gz MOSXDJXGZNSTQX-OCCSQVGLSA-N 2 0 264.413 3.318 10 0 CGAERP CCC(CC)[N@H+](C)Cc1cc(C[NH2+]C2CC2)co1 ZINC000052478155 521542878 /nfs/dbraw/zinc/54/28/78/521542878.db2.gz WJZQVGXHGVAATA-UHFFFAOYSA-N 2 0 250.386 3.152 10 0 CGAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546930 522133491 /nfs/dbraw/zinc/13/34/91/522133491.db2.gz KVXSQAJFPZUYTP-WMLDXEAASA-N 2 0 260.425 3.417 10 0 CGAERP CC[N@H+](Cc1ccco1)[C@H](C)CCC[NH2+]C(C)C ZINC000052570625 521401799 /nfs/dbraw/zinc/40/17/99/521401799.db2.gz UVXCINYEAHFZBE-CQSZACIVSA-N 2 0 252.402 3.268 10 0 CGAERP CCC[N@H+](C)Cc1c2ccccc2oc1C[NH2+]CC ZINC000052444467 521500538 /nfs/dbraw/zinc/50/05/38/521500538.db2.gz NKTXRXYHALZMOX-UHFFFAOYSA-N 2 0 260.381 3.384 10 0 CGAERP CCC[N@H+](Cc1oc2ccccc2c1C[NH3+])C1CC1 ZINC000052449112 521696688 /nfs/dbraw/zinc/69/66/88/521696688.db2.gz FEERXFKMVXYXMP-UHFFFAOYSA-N 2 0 258.365 3.266 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517496 522139667 /nfs/dbraw/zinc/13/96/67/522139667.db2.gz OQTFQRFZWFBHBM-OAHLLOKOSA-N 2 0 262.397 3.154 10 0 CGAERP C[C@@H]1CC[N@H+](Cc2c3ccccc3sc2C[NH3+])C1 ZINC000052484514 524509529 /nfs/dbraw/zinc/50/95/29/524509529.db2.gz SJYUYJLGJVHGRO-LLVKDONJSA-N 2 0 260.406 3.202 10 0 CGAERP Cc1cc(C[NH+]2CCC(C(C)(C)C)CC2)oc1C[NH3+] ZINC000052373625 524673101 /nfs/dbraw/zinc/67/31/01/524673101.db2.gz DBWYAGTXQAERAW-UHFFFAOYSA-N 2 0 264.413 3.305 10 0 CGAERP Cc1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)oc1C[NH3+] ZINC000052517625 524687248 /nfs/dbraw/zinc/68/72/48/524687248.db2.gz ZGQMGSPLCDVJOY-HNNXBMFYSA-N 2 0 262.397 3.201 10 0 CGAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712095128 567837296 /nfs/dbraw/zinc/83/72/96/567837296.db2.gz RMNFLKKALNVXKZ-ZDUSSCGKSA-N 2 0 252.446 3.405 10 0 CGAERP CCCCCC[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757127970 617753852 /nfs/dbraw/zinc/75/38/52/617753852.db2.gz IHSBEOMAZMJWOV-INIZCTEOSA-N 2 0 250.430 3.127 10 0 CGAERP [NH3+]CC[C@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757239666 630590447 /nfs/dbraw/zinc/59/04/47/630590447.db2.gz VRHXFOLMQXWHAH-KCJUWKMLSA-N 2 0 260.353 3.075 10 0 CGAERP CC(C)C[C@@H]1[C@@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409429425 346605398 /nfs/dbraw/zinc/60/53/98/346605398.db2.gz JLLWWPICGWPLRQ-RCCFBDPRSA-N 2 0 272.436 3.095 10 0 CGAERP CC(C)[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000095088390 370172598 /nfs/dbraw/zinc/17/25/98/370172598.db2.gz NCXLVENLIGIELO-FKEKPDDDSA-N 2 0 260.425 3.141 10 0 CGAERP CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000159036370 372101145 /nfs/dbraw/zinc/10/11/45/372101145.db2.gz HTRBJUIGKCWDTH-GJZGRUSLSA-N 2 0 278.440 3.322 10 0 CGAERP C[C@H](CCSc1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598681 375896776 /nfs/dbraw/zinc/89/67/76/375896776.db2.gz MUJFOEJHUFOZFM-OAGGEKHMSA-N 2 0 290.476 3.051 10 0 CGAERP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1n1ccnc1 ZINC000245556751 376853453 /nfs/dbraw/zinc/85/34/53/376853453.db2.gz ANXSIEGPBMPPLE-MLGOLLRUSA-N 2 0 291.345 3.244 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)cc1Br ZINC000575439488 377911187 /nfs/dbraw/zinc/91/11/87/377911187.db2.gz APIOEMCXDDWYQV-NSHDSACASA-N 2 0 291.620 3.231 10 0 CGAERP CSc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400442255 379951232 /nfs/dbraw/zinc/95/12/32/379951232.db2.gz OOOBLSMUSUPRTE-SCRDCRAPSA-N 2 0 264.438 3.057 10 0 CGAERP c1csc([C@@H]2CCCC[N@H+]2CCCC2CC[NH2+]CC2)n1 ZINC000649412206 393415868 /nfs/dbraw/zinc/41/58/68/393415868.db2.gz WDLQYDDVNBDIPU-HNNXBMFYSA-N 2 0 293.480 3.450 10 0 CGAERP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400527100 292016240 /nfs/dbraw/zinc/01/62/40/292016240.db2.gz QLGZILXUKHLDSS-IPYPFGDCSA-N 2 0 276.424 3.189 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000020128551 171015709 /nfs/dbraw/zinc/01/57/09/171015709.db2.gz RCRAWHZWQKTZQN-UHFFFAOYSA-N 2 0 272.367 3.177 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2ccco2)CC1 ZINC000035738477 172391802 /nfs/dbraw/zinc/39/18/02/172391802.db2.gz RTJDSOXOAWTGLT-STQMWFEESA-N 2 0 250.386 3.051 10 0 CGAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(SC)cc2)C1 ZINC000071142305 176040351 /nfs/dbraw/zinc/04/03/51/176040351.db2.gz AAFLUJGBZULXDN-CHWSQXEVSA-N 2 0 264.438 3.011 10 0 CGAERP Cc1cc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1C(C)C ZINC000131526471 287382608 /nfs/dbraw/zinc/38/26/08/287382608.db2.gz AGKPHSZJBBJDBU-HOTGVXAUSA-N 2 0 290.451 3.166 10 0 CGAERP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551949 278231118 /nfs/dbraw/zinc/23/11/18/278231118.db2.gz CKEGJWBMJBPBRO-YNEHKIRRSA-N 2 0 260.372 3.014 10 0 CGAERP CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000159036646 321828079 /nfs/dbraw/zinc/82/80/79/321828079.db2.gz HTRBJUIGKCWDTH-LSDHHAIUSA-N 2 0 278.440 3.322 10 0 CGAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420802 519743641 /nfs/dbraw/zinc/74/36/41/519743641.db2.gz GESMLDYHJSWGON-JYJNAYRXSA-N 2 0 254.462 3.379 10 0 CGAERP C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C[NH2+]C1CC1 ZINC000052482198 518383918 /nfs/dbraw/zinc/38/39/18/518383918.db2.gz ZHTMGRLLAFAGCN-LSDHHAIUSA-N 2 0 250.430 3.031 10 0 CGAERP CCC1CCC(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000049332534 519851899 /nfs/dbraw/zinc/85/18/99/519851899.db2.gz ZBTXGUYIHALYCD-UHFFFAOYSA-N 2 0 252.446 3.278 10 0 CGAERP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000053012697 519922573 /nfs/dbraw/zinc/92/25/73/519922573.db2.gz IKNABABZDRNLSX-YHUYYLMFSA-N 2 0 252.446 3.133 10 0 CGAERP CCC[NH2+]Cc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000052371136 519948434 /nfs/dbraw/zinc/94/84/34/519948434.db2.gz CJYTUDGLKIRRKY-UHFFFAOYSA-N 2 0 278.465 3.125 10 0 CGAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)C(C)C ZINC000054559594 520217668 /nfs/dbraw/zinc/21/76/68/520217668.db2.gz NVWQNZDDSHHRPH-OAGGEKHMSA-N 2 0 254.462 3.377 10 0 CGAERP CC[NH+](CC)CCc1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000052331211 520710730 /nfs/dbraw/zinc/71/07/30/520710730.db2.gz PHXGYGOFPJOCNT-UHFFFAOYSA-N 2 0 283.485 3.081 10 0 CGAERP CC[N@H+](Cc1cccs1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052546400 521410887 /nfs/dbraw/zinc/41/08/87/521410887.db2.gz FZYSLWCUDRPAHN-ZDUSSCGKSA-N 2 0 266.454 3.491 10 0 CGAERP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000052333420 525635441 /nfs/dbraw/zinc/63/54/41/525635441.db2.gz WJEIHRSDOSNSSD-NYTXWWLZSA-N 2 0 252.446 3.274 10 0 CGAERP C[C@H](c1cccs1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602026 526156058 /nfs/dbraw/zinc/15/60/58/526156058.db2.gz DEAPIKSRAWTHMQ-ODWCKFRGSA-N 2 0 250.411 3.153 10 0 CGAERP Cc1oc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cc1C[NH3+] ZINC000052546688 526769142 /nfs/dbraw/zinc/76/91/42/526769142.db2.gz GBCJRKUOALELAY-NHYWBVRUSA-N 2 0 250.386 3.057 10 0 CGAERP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543895 526774684 /nfs/dbraw/zinc/77/46/84/526774684.db2.gz YJSKUMPPCXFAIZ-DZGCQCFKSA-N 2 0 262.397 3.070 10 0 CGAERP [NH3+]Cc1sc2cccc(F)c2c1C[NH+]1CCSCC1 ZINC000052425569 527268703 /nfs/dbraw/zinc/26/87/03/527268703.db2.gz LYEVAVVWHHRQGP-UHFFFAOYSA-N 2 0 296.436 3.048 10 0 CGAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)[C@H]1CC[NH3+] ZINC000404374389 572330740 /nfs/dbraw/zinc/33/07/40/572330740.db2.gz RSAJFKOHTXZSIU-RDBSUJKOSA-N 2 0 274.399 3.261 10 0 CGAERP C[N@H+](CCC[NH2+]CCc1ccccc1)Cc1ccccc1 ZINC000019913217 619120044 /nfs/dbraw/zinc/12/00/44/619120044.db2.gz OLNRLBSDTOHNNC-UHFFFAOYSA-N 2 0 282.431 3.341 10 0 CGAERP c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096950566 185138423 /nfs/dbraw/zinc/13/84/23/185138423.db2.gz KZCKITJHBRAVGV-IAGOWNOFSA-N 2 0 258.409 3.041 10 0 CGAERP C[NH+](C)CCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156721459 232229490 /nfs/dbraw/zinc/22/94/90/232229490.db2.gz BVSPVHMADCSSSI-MRXNPFEDSA-N 2 0 260.425 3.241 10 0 CGAERP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CC)C2)cc1 ZINC000389450586 346572825 /nfs/dbraw/zinc/57/28/25/346572825.db2.gz QCZCMVLUJMFCHH-HOCLYGCPSA-N 2 0 276.424 3.220 10 0 CGAERP C/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390920693 346575167 /nfs/dbraw/zinc/57/51/67/346575167.db2.gz XAUYOBMTRPPEFA-PNORRXHGSA-N 2 0 270.420 3.348 10 0 CGAERP CC(C)C[NH2+]CC1CC[NH+](CCc2cccs2)CC1 ZINC000104430705 185999692 /nfs/dbraw/zinc/99/96/92/185999692.db2.gz RXGWAHXLQKEYDM-UHFFFAOYSA-N 2 0 280.481 3.248 10 0 CGAERP CC1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629652736 350731266 /nfs/dbraw/zinc/73/12/66/350731266.db2.gz BLCYYEZXFVICJK-HOAMVYINSA-N 2 0 292.389 3.272 10 0 CGAERP Cc1cc(C)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000123739317 138369768 /nfs/dbraw/zinc/36/97/68/138369768.db2.gz CIFALVXCCWERGD-QGZVFWFLSA-N 2 0 262.441 3.417 10 0 CGAERP Cc1cccc2c(N(C)C[C@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC000301681530 201136195 /nfs/dbraw/zinc/13/61/95/201136195.db2.gz SBFOYOANHDJLQG-HNNXBMFYSA-N 2 0 283.419 3.321 10 0 CGAERP C([NH2+]CC1([NH+]2CCCCC2)CCCCC1)C1CCOCC1 ZINC000052175541 369466249 /nfs/dbraw/zinc/46/62/49/369466249.db2.gz QZVMATRJDYMYJH-UHFFFAOYSA-N 2 0 294.483 3.191 10 0 CGAERP c1ccc(C[N@H+]2CCC[C@@H](CCC[NH2+]C3CC3)C2)cc1 ZINC000095081354 370170670 /nfs/dbraw/zinc/17/06/70/370170670.db2.gz ZHLIGDINHZSVCF-QGZVFWFLSA-N 2 0 272.436 3.431 10 0 CGAERP CC(C)[C@H]([NH3+])CCN(C)c1cc[nH+]c2ccccc21 ZINC000133611271 371266615 /nfs/dbraw/zinc/26/66/15/371266615.db2.gz WFGVSTGXHVNWPT-CQSZACIVSA-N 2 0 257.381 3.044 10 0 CGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000423095305 371961617 /nfs/dbraw/zinc/96/16/17/371961617.db2.gz DQIVFOAVJMAFML-ANQUJSFKSA-N 2 0 282.472 3.090 10 0 CGAERP Cc1csc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000162915157 372432818 /nfs/dbraw/zinc/43/28/18/372432818.db2.gz NQZTXJKQMKQXMF-HNNXBMFYSA-N 2 0 293.480 3.115 10 0 CGAERP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183735 377277677 /nfs/dbraw/zinc/27/76/77/377277677.db2.gz WYIBOLYAQQNSTH-INMHGKMJSA-N 2 0 289.467 3.316 10 0 CGAERP COc1ccc([C@H](C)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000252733949 377660237 /nfs/dbraw/zinc/66/02/37/377660237.db2.gz XORSHXLWNRMNIC-CVEARBPZSA-N 2 0 290.451 3.072 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000400456517 379951182 /nfs/dbraw/zinc/95/11/82/379951182.db2.gz QBIYCFBLYQFGES-LPEHRKFASA-N 2 0 258.818 3.050 10 0 CGAERP CC[N@H+](C)CC[C@H](C[NH3+])c1cccc2ccccc21 ZINC000584615144 393205538 /nfs/dbraw/zinc/20/55/38/393205538.db2.gz KPRLVVLNDYDCHE-OAHLLOKOSA-N 2 0 256.393 3.224 10 0 CGAERP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000080458946 287065868 /nfs/dbraw/zinc/06/58/68/287065868.db2.gz SSGRIRAZLSESDF-ZFWWWQNUSA-N 2 0 252.446 3.418 10 0 CGAERP CC[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000080428119 287065139 /nfs/dbraw/zinc/06/51/39/287065139.db2.gz IBSSFHLQUHDEEA-OLZOCXBDSA-N 2 0 252.446 3.464 10 0 CGAERP Cn1c2ccccc2c(C[NH+]2CCCCCC2)c1C[NH3+] ZINC000009239730 170368322 /nfs/dbraw/zinc/36/83/22/170368322.db2.gz AYBFXCCJSMWJPQ-UHFFFAOYSA-N 2 0 271.408 3.013 10 0 CGAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C2CCCCCC2)C1 ZINC000037220274 173038416 /nfs/dbraw/zinc/03/84/16/173038416.db2.gz SDLCVGUMNQGPLL-HUUCEWRRSA-N 2 0 252.446 3.419 10 0 CGAERP CC1(C)CC([NH2+]Cc2ccc(O)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000043477233 175054921 /nfs/dbraw/zinc/05/49/21/175054921.db2.gz ZTOMZFHINOAWSJ-UHFFFAOYSA-N 2 0 296.842 3.444 10 0 CGAERP Cc1[nH+]ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1Cl ZINC000656609219 419186558 /nfs/dbraw/zinc/18/65/58/419186558.db2.gz RHYGFNYLCVVAIU-CQSZACIVSA-N 2 0 293.842 3.259 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000223352283 270086452 /nfs/dbraw/zinc/08/64/52/270086452.db2.gz XWAVVKVUNWJKCN-PMPSAXMXSA-N 2 0 254.462 3.379 10 0 CGAERP Cc1c(C[NH2+]CCCC[NH3+])c2ccccc2n1CC(C)C ZINC000055243723 280227117 /nfs/dbraw/zinc/22/71/17/280227117.db2.gz PPGPMVWYDMVMTH-UHFFFAOYSA-N 2 0 287.451 3.434 10 0 CGAERP CC(C)[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381154422 336052545 /nfs/dbraw/zinc/05/25/45/336052545.db2.gz MJXDHWPHIWSWRT-FXUDXRNXSA-N 2 0 252.446 3.118 10 0 CGAERP CC[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420893 520009274 /nfs/dbraw/zinc/00/92/74/520009274.db2.gz SFZVBUYOUFKKMF-GASCZTMLSA-N 2 0 260.425 3.274 10 0 CGAERP CCC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]CC)oc1C ZINC000052480769 521037210 /nfs/dbraw/zinc/03/72/10/521037210.db2.gz LXLZUXBQQHKWOM-LBPRGKRZSA-N 2 0 252.402 3.318 10 0 CGAERP CCC(CC)[N@H+](C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052478056 521543000 /nfs/dbraw/zinc/54/30/00/521543000.db2.gz XNIVULDRALGUOM-UHFFFAOYSA-N 2 0 252.402 3.398 10 0 CGAERP CC(C)(C)[NH2+]Cc1occc1C[NH+]1CCCCC1 ZINC000052421324 518771476 /nfs/dbraw/zinc/77/14/76/518771476.db2.gz OXNFIYXJCJIEDF-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP CC(C)[N@@H+](Cc1cccs1)C[C@H](C)C[NH2+]C1CC1 ZINC000052544952 519661676 /nfs/dbraw/zinc/66/16/76/519661676.db2.gz XTDNTKUNZXFDGR-CYBMUJFWSA-N 2 0 266.454 3.347 10 0 CGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(C)C ZINC000054628861 519908404 /nfs/dbraw/zinc/90/84/04/519908404.db2.gz UACNHTWAFMIEES-UYTSQGDYSA-N 2 0 252.446 3.416 10 0 CGAERP CC[NH2+]Cc1ccc(C[N@H+](CC(C)C)C(C)C)o1 ZINC000052572563 519995452 /nfs/dbraw/zinc/99/54/52/519995452.db2.gz GNWZKOORMZLNGR-UHFFFAOYSA-N 2 0 252.402 3.256 10 0 CGAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052509096 521998934 /nfs/dbraw/zinc/99/89/34/521998934.db2.gz JGFYTEADOZJNMC-JTQLQIEISA-N 2 0 260.834 3.221 10 0 CGAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)o1 ZINC000052517525 522116896 /nfs/dbraw/zinc/11/68/96/522116896.db2.gz HBRDBMHNLTZXHJ-MRXNPFEDSA-N 2 0 262.397 3.154 10 0 CGAERP CC[C@H]1CCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052375319 523107349 /nfs/dbraw/zinc/10/73/49/523107349.db2.gz IKWNIAYNMAVFFL-KRWDZBQOSA-N 2 0 258.409 3.313 10 0 CGAERP CC[C@H](C)[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052444047 523923518 /nfs/dbraw/zinc/92/35/18/523923518.db2.gz PMALZZIIYBFTNC-LBPRGKRZSA-N 2 0 252.402 3.398 10 0 CGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)C[NH2+]CC(C)C)cc1 ZINC000052424601 524390839 /nfs/dbraw/zinc/39/08/39/524390839.db2.gz BWTLASUQOPJYES-MRXNPFEDSA-N 2 0 262.441 3.309 10 0 CGAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000052546839 524459573 /nfs/dbraw/zinc/45/95/73/524459573.db2.gz RMLCFCBIWYJKPJ-IJEWVQPXSA-N 2 0 252.446 3.418 10 0 CGAERP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602851 525351927 /nfs/dbraw/zinc/35/19/27/525351927.db2.gz CJXZKMYMKWJMAV-WZYMTQMTSA-N 2 0 258.409 3.400 10 0 CGAERP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159587 525939633 /nfs/dbraw/zinc/93/96/33/525939633.db2.gz GWBIJFCUXKJZQQ-HZSPNIEDSA-N 2 0 266.454 3.437 10 0 CGAERP CCC[NH2+][C@@H](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000082646896 178141351 /nfs/dbraw/zinc/14/13/51/178141351.db2.gz HVZPTGRSEKQYJI-HNNXBMFYSA-N 2 0 260.425 3.287 10 0 CGAERP [NH3+]C[C@H]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096897650 185125217 /nfs/dbraw/zinc/12/52/17/185125217.db2.gz AFQAAIPKLHYLDG-DLBZAZTESA-N 2 0 258.409 3.028 10 0 CGAERP [NH3+]C[C@H]1CCC[C@]12CCCC[N@@H+]2Cc1ccccc1 ZINC000096897644 185125376 /nfs/dbraw/zinc/12/53/76/185125376.db2.gz BEEZGAOKPXVTED-IAGOWNOFSA-N 2 0 258.409 3.170 10 0 CGAERP C[NH+](C)CCC[C@](C)(C[NH3+])c1cccc2ccccc21 ZINC000006442035 344865346 /nfs/dbraw/zinc/86/53/46/344865346.db2.gz BWJSHNPBNRZVEV-GOSISDBHSA-N 2 0 270.420 3.398 10 0 CGAERP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000094080460 345894606 /nfs/dbraw/zinc/89/46/06/345894606.db2.gz BIAYAQSEPXNQKR-WLYUNCDWSA-N 2 0 276.424 3.394 10 0 CGAERP c1cc2c3c(c1)C[N@H+]([C@@H]1CN4CCC1CC4)C[C@H]3CCC2 ZINC000163948868 346181877 /nfs/dbraw/zinc/18/18/77/346181877.db2.gz LYYPYBYFIMUISS-QZTJIDSGSA-N 2 0 282.431 3.016 10 0 CGAERP CCC[N@H+](C[C@H]1CCCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000261558959 283284465 /nfs/dbraw/zinc/28/44/65/283284465.db2.gz SLCGWVCVCHXYEY-ZDUSSCGKSA-N 2 0 274.399 3.276 10 0 CGAERP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000127915727 370957518 /nfs/dbraw/zinc/95/75/18/370957518.db2.gz IRLBTFNPHZSXST-HOAMVYINSA-N 2 0 290.373 3.324 10 0 CGAERP COc1ccc([C@H](C)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000179733925 373909169 /nfs/dbraw/zinc/90/91/69/373909169.db2.gz XORSHXLWNRMNIC-HZPDHXFCSA-N 2 0 290.451 3.072 10 0 CGAERP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335399149 375269063 /nfs/dbraw/zinc/26/90/63/375269063.db2.gz MEHVWVFIQIXTPR-DZGCQCFKSA-N 2 0 268.420 3.264 10 0 CGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)[nH+]1 ZINC000246371967 377018233 /nfs/dbraw/zinc/01/82/33/377018233.db2.gz OAPNGRHORXAJJR-CVEARBPZSA-N 2 0 296.418 3.280 10 0 CGAERP CCC1CCC(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000562958350 377379702 /nfs/dbraw/zinc/37/97/02/377379702.db2.gz GSPZZCJAUINGGL-LBDPXKHJSA-N 2 0 252.446 3.181 10 0 CGAERP CC(C)CC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000400406250 379949908 /nfs/dbraw/zinc/94/99/08/379949908.db2.gz RURUZXHOOGSCRV-LSDHHAIUSA-N 2 0 252.446 3.181 10 0 CGAERP CSc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400442253 379951829 /nfs/dbraw/zinc/95/18/29/379951829.db2.gz OOOBLSMUSUPRTE-OUCADQQQSA-N 2 0 264.438 3.057 10 0 CGAERP Clc1csc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000194482474 542276901 /nfs/dbraw/zinc/27/69/01/542276901.db2.gz XERDGBFGMGVWKW-GFCCVEGCSA-N 2 0 281.812 3.263 10 0 CGAERP CC(C)C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000242723002 256868050 /nfs/dbraw/zinc/86/80/50/256868050.db2.gz YAWHIBFULWAWRB-NVXWUHKLSA-N 2 0 260.425 3.143 10 0 CGAERP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394678797 397696051 /nfs/dbraw/zinc/69/60/51/397696051.db2.gz XJFZQJZLXJXSCW-ZNMIVQPWSA-N 2 0 286.410 3.276 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccsc1 ZINC000020128589 171015469 /nfs/dbraw/zinc/01/54/69/171015469.db2.gz BAIYABUSYNZYMZ-UHFFFAOYSA-N 2 0 260.406 3.100 10 0 CGAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC000037208811 173030835 /nfs/dbraw/zinc/03/08/35/173030835.db2.gz WGUIGEMLDXMWGK-NVXWUHKLSA-N 2 0 260.425 3.287 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000037221390 173041114 /nfs/dbraw/zinc/04/11/14/173041114.db2.gz HVJBSVGJLLNUGL-QWHCGFSZSA-N 2 0 264.388 3.207 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC000037221922 173042379 /nfs/dbraw/zinc/04/23/79/173042379.db2.gz MVZOESQNNZVVDU-ZDUSSCGKSA-N 2 0 264.388 3.036 10 0 CGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423095306 279371669 /nfs/dbraw/zinc/37/16/69/279371669.db2.gz DQIVFOAVJMAFML-NQNKBUKLSA-N 2 0 282.472 3.090 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000052378710 519746923 /nfs/dbraw/zinc/74/69/23/519746923.db2.gz PJBAUGXTRRMWHF-AWEZNQCLSA-N 2 0 264.413 3.400 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H]1CC ZINC000052374956 519959142 /nfs/dbraw/zinc/95/91/42/519959142.db2.gz ZGWOXBLVZJRPDA-AWEZNQCLSA-N 2 0 250.386 3.154 10 0 CGAERP CC(C)(C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543815 518763693 /nfs/dbraw/zinc/76/36/93/518763693.db2.gz MJWDAKUKHZHKHI-QWHCGFSZSA-N 2 0 262.397 3.152 10 0 CGAERP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)CC(C)(C)C ZINC000052570103 523172295 /nfs/dbraw/zinc/17/22/95/523172295.db2.gz DAHZIGWTLZNUAW-UHFFFAOYSA-N 2 0 267.417 3.041 10 0 CGAERP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128973528 636106292 /nfs/dbraw/zinc/10/62/92/636106292.db2.gz BJSSQLOUZKJREE-JSGCOSHPSA-N 2 0 266.816 3.003 10 0 CGAERP CCC[NH2+][C@H](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000082646897 178141499 /nfs/dbraw/zinc/14/14/99/178141499.db2.gz HVZPTGRSEKQYJI-OAHLLOKOSA-N 2 0 260.425 3.287 10 0 CGAERP C[N@H+](C[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21)C1CC1 ZINC000096081898 185090931 /nfs/dbraw/zinc/09/09/31/185090931.db2.gz NLAWLQPWEAECAK-YQVWRLOYSA-N 2 0 299.462 3.024 10 0 CGAERP CCCC[C@@](C=C=C(C)C)(CC)C[NH2+]CCC[NH2+]CCO ZINC000584603100 346690321 /nfs/dbraw/zinc/69/03/21/346690321.db2.gz MUEQFVXCVYROJL-GOSISDBHSA-N 2 0 296.499 3.256 10 0 CGAERP c1ccc(C[N@H+]2CCC[C@H](CC[NH2+]C3CC3)C2)cc1 ZINC000095079090 370170697 /nfs/dbraw/zinc/17/06/97/370170697.db2.gz KKPNCFZQJCXQRH-MRXNPFEDSA-N 2 0 258.409 3.041 10 0 CGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000036953059 541860439 /nfs/dbraw/zinc/86/04/39/541860439.db2.gz FJGOGILYRBPQEF-RYUDHWBXSA-N 2 0 282.378 3.346 10 0 CGAERP C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000414863871 299428093 /nfs/dbraw/zinc/42/80/93/299428093.db2.gz YJTBPQLMJJLOOC-QPSCCSFWSA-N 2 0 252.446 3.179 10 0 CGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000037221409 541863628 /nfs/dbraw/zinc/86/36/28/541863628.db2.gz LBQWYHXJIOCGTN-RYUDHWBXSA-N 2 0 252.427 3.129 10 0 CGAERP FCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180160128 373971839 /nfs/dbraw/zinc/97/18/39/373971839.db2.gz BGPAUDCRULZBQI-ALOPSCKCSA-N 2 0 276.399 3.131 10 0 CGAERP FC1(F)CCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336187473 375754695 /nfs/dbraw/zinc/75/46/95/375754695.db2.gz BXLGUYFSHMOJRI-LSDHHAIUSA-N 2 0 286.410 3.372 10 0 CGAERP c1csc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)c1 ZINC000193458655 375881369 /nfs/dbraw/zinc/88/13/69/375881369.db2.gz OJQIBTFYHXXGTQ-AWEZNQCLSA-N 2 0 264.438 3.371 10 0 CGAERP c1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000193462190 375881501 /nfs/dbraw/zinc/88/15/01/375881501.db2.gz CVPHMJXYUQCDBW-KRWDZBQOSA-N 2 0 258.409 3.309 10 0 CGAERP C[N@H+]1C[C@@H]2C[NH+](CCCc3cccc4ccccc43)C[C@@H]2C1 ZINC000193599588 375896343 /nfs/dbraw/zinc/89/63/43/375896343.db2.gz XLROJAQOWJBDEW-KDURUIRLSA-N 2 0 294.442 3.266 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000575438953 377911130 /nfs/dbraw/zinc/91/11/30/377911130.db2.gz NNFRQMKYQPFEGH-GOSISDBHSA-N 2 0 284.403 3.394 10 0 CGAERP C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400341740 379949346 /nfs/dbraw/zinc/94/93/46/379949346.db2.gz GWXLZLGQDPISMF-VNCIIQTRSA-N 2 0 272.436 3.300 10 0 CGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2c2nccs2)CC[NH2+]1 ZINC000414700708 380380437 /nfs/dbraw/zinc/38/04/37/380380437.db2.gz VBDSMVLEOSQMCF-RDBSUJKOSA-N 2 0 279.453 3.058 10 0 CGAERP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000397396313 542617490 /nfs/dbraw/zinc/61/74/90/542617490.db2.gz GMTZSNWUZKZVDR-XJFOESAGSA-N 2 0 274.399 3.117 10 0 CGAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381724182 392913516 /nfs/dbraw/zinc/91/35/16/392913516.db2.gz RXRUJJMLHXKEHH-STQMWFEESA-N 2 0 260.372 3.015 10 0 CGAERP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+](C)C)s1 ZINC000020128669 171015262 /nfs/dbraw/zinc/01/52/62/171015262.db2.gz LPPJCRWPYOQCSQ-UHFFFAOYSA-N 2 0 274.433 3.408 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccccc1F ZINC000020128652 171015286 /nfs/dbraw/zinc/01/52/86/171015286.db2.gz GOIUAJMCLGUDJX-UHFFFAOYSA-N 2 0 272.367 3.177 10 0 CGAERP [NH3+]Cc1ccc(C[NH+]2CCCCCCC2)c(F)c1 ZINC000020265090 171121501 /nfs/dbraw/zinc/12/15/01/171121501.db2.gz NTKYDBUAJIDMFU-UHFFFAOYSA-N 2 0 250.361 3.051 10 0 CGAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC000037221014 173039196 /nfs/dbraw/zinc/03/91/96/173039196.db2.gz FLEMTKHOSABVNL-NVXWUHKLSA-N 2 0 260.425 3.205 10 0 CGAERP CC(C)C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)Cc2cccs2)C1 ZINC000071271069 176104372 /nfs/dbraw/zinc/10/43/72/176104372.db2.gz PRKYFWBFXNQUNE-LSDHHAIUSA-N 2 0 280.481 3.247 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000400473653 279497933 /nfs/dbraw/zinc/49/79/33/279497933.db2.gz YWRXRYFFRMCNHD-DEYYWGMASA-N 2 0 272.436 3.214 10 0 CGAERP CC[C@H](c1ccc(OC)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312487349 288155920 /nfs/dbraw/zinc/15/59/20/288155920.db2.gz OROMGCBKMVPEIN-KBRIMQKVSA-N 2 0 276.424 3.063 10 0 CGAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385968800 336163632 /nfs/dbraw/zinc/16/36/32/336163632.db2.gz GLURQKLFVSYAJJ-WTIISPKJSA-N 2 0 278.362 3.228 10 0 CGAERP C(CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)C[NH2+]C1CC1 ZINC000052482199 518383905 /nfs/dbraw/zinc/38/39/05/518383905.db2.gz ZHTMGRLLAFAGCN-GJZGRUSLSA-N 2 0 250.430 3.031 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000052478564 519728615 /nfs/dbraw/zinc/72/86/15/519728615.db2.gz QGRBAIAWPJVDBM-ZDUSSCGKSA-N 2 0 252.402 3.254 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000052373270 519958739 /nfs/dbraw/zinc/95/87/39/519958739.db2.gz MBBXCPMBIHSBKB-KBPBESRZSA-N 2 0 264.413 3.400 10 0 CGAERP C[NH2+]Cc1ccc(C[N@H+](C)C2CCC(C)CC2)o1 ZINC000052345370 522117950 /nfs/dbraw/zinc/11/79/50/522117950.db2.gz OIKKHXYNEMMGJN-UHFFFAOYSA-N 2 0 250.386 3.010 10 0 CGAERP C[C@@H](CCC[NH2+]C(C)(C)C)OCC[NH+]1CCCCC1 ZINC000052670976 524457244 /nfs/dbraw/zinc/45/72/44/524457244.db2.gz PPGQRAXTXXDAKL-HNNXBMFYSA-N 2 0 270.461 3.046 10 0 CGAERP Cc1ccc(C[N@H+]2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053012487 524468972 /nfs/dbraw/zinc/46/89/72/524468972.db2.gz UOSIPVDGPHRDGU-QGZVFWFLSA-N 2 0 260.425 3.063 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401051243 527809616 /nfs/dbraw/zinc/80/96/16/527809616.db2.gz YFNYGZPQEGQRCB-GQLSEVEHSA-N 2 0 278.484 3.425 10 0 CGAERP [NH3+]CC[C@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757240280 630591309 /nfs/dbraw/zinc/59/13/09/630591309.db2.gz VRHXFOLMQXWHAH-LDYMZIIASA-N 2 0 260.353 3.075 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000409429039 346605436 /nfs/dbraw/zinc/60/54/36/346605436.db2.gz HMADQGVNEBTSJJ-AQNXPRMDSA-N 2 0 292.426 3.421 10 0 CGAERP CCC[NH2+]C[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000104449668 186005974 /nfs/dbraw/zinc/00/59/74/186005974.db2.gz XLJSQIUVSSQZIK-AWEZNQCLSA-N 2 0 266.454 3.002 10 0 CGAERP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000631834607 351149651 /nfs/dbraw/zinc/14/96/51/351149651.db2.gz BIYFRCJOFYBROT-QWHCGFSZSA-N 2 0 260.372 3.015 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000517239799 296149342 /nfs/dbraw/zinc/14/93/42/296149342.db2.gz UFIXAZINUBCTES-LWXVXRBKSA-N 2 0 264.457 3.179 10 0 CGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000095082602 370172622 /nfs/dbraw/zinc/17/26/22/370172622.db2.gz WCSMUKLYKBDXMW-UHFFFAOYSA-N 2 0 270.420 3.137 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000036953060 541860006 /nfs/dbraw/zinc/86/00/06/541860006.db2.gz FJGOGILYRBPQEF-NWDGAFQWSA-N 2 0 282.378 3.346 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000036953061 541860257 /nfs/dbraw/zinc/86/02/57/541860257.db2.gz FJGOGILYRBPQEF-NEPJUHHUSA-N 2 0 282.378 3.346 10 0 CGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000423095304 371960412 /nfs/dbraw/zinc/96/04/12/371960412.db2.gz DQIVFOAVJMAFML-AESZEHBQSA-N 2 0 282.472 3.090 10 0 CGAERP CCC[N@@H+]1CCCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000301384215 373768495 /nfs/dbraw/zinc/76/84/95/373768495.db2.gz BREYQWGZIYEWSF-UHFFFAOYSA-N 2 0 283.419 3.465 10 0 CGAERP CCc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301767842 373803461 /nfs/dbraw/zinc/80/34/61/373803461.db2.gz CAXFKXVRXGPTKP-MRXNPFEDSA-N 2 0 295.430 3.472 10 0 CGAERP CC[N@@H+]1CCCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301650814 373793786 /nfs/dbraw/zinc/79/37/86/373793786.db2.gz GCOFHJYVUHMSBD-UHFFFAOYSA-N 2 0 269.392 3.075 10 0 CGAERP COc1ccc([C@@H](C)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000179733909 373910099 /nfs/dbraw/zinc/91/00/99/373910099.db2.gz XORSHXLWNRMNIC-JKSUJKDBSA-N 2 0 290.451 3.072 10 0 CGAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309814444 374198590 /nfs/dbraw/zinc/19/85/90/374198590.db2.gz XLILZAXXWNGGPK-LZBKUMLDSA-N 2 0 284.447 3.285 10 0 CGAERP CC(C)=CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921616 375803476 /nfs/dbraw/zinc/80/34/76/375803476.db2.gz VHLXKADECATLAZ-KRWDZBQOSA-N 2 0 258.409 3.064 10 0 CGAERP CCN1CC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000389475484 379898051 /nfs/dbraw/zinc/89/80/51/379898051.db2.gz WBYSTZSBBUXULZ-KEYYUXOJSA-N 2 0 258.409 3.309 10 0 CGAERP [NH3+]C1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000020521639 171235261 /nfs/dbraw/zinc/23/52/61/171235261.db2.gz FWPTWGWIEQQNLD-UHFFFAOYSA-N 2 0 258.409 3.136 10 0 CGAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC000037208810 173029971 /nfs/dbraw/zinc/02/99/71/173029971.db2.gz WGUIGEMLDXMWGK-WBVHZDCISA-N 2 0 260.425 3.287 10 0 CGAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCc2cccs2)CC1 ZINC000037210062 173031401 /nfs/dbraw/zinc/03/14/01/173031401.db2.gz GSPCAGTUCBDPQB-CQSZACIVSA-N 2 0 280.481 3.391 10 0 CGAERP CCC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000076515276 177031103 /nfs/dbraw/zinc/03/11/03/177031103.db2.gz SFUVILIFLMDQTE-LSDHHAIUSA-N 2 0 276.424 3.078 10 0 CGAERP CC1(C)CC[C@@]2(CCC[NH2+]C2)[N@@H+]1Cc1ccccc1 ZINC000076697629 177060960 /nfs/dbraw/zinc/06/09/60/177060960.db2.gz DEWJJHBLKGFFRI-QGZVFWFLSA-N 2 0 258.409 3.183 10 0 CGAERP C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000665239267 419089252 /nfs/dbraw/zinc/08/92/52/419089252.db2.gz PSBNSZZDHISCCT-DGADGQDISA-N 2 0 252.446 3.036 10 0 CGAERP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551947 278227501 /nfs/dbraw/zinc/22/75/01/278227501.db2.gz CKEGJWBMJBPBRO-XQQFMLRXSA-N 2 0 260.372 3.014 10 0 CGAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261551939 303389442 /nfs/dbraw/zinc/38/94/42/303389442.db2.gz BOKYPYLSGRBPPW-QWHCGFSZSA-N 2 0 260.372 3.015 10 0 CGAERP CC(C)CC[C@H](C1CC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381217756 336055334 /nfs/dbraw/zinc/05/53/34/336055334.db2.gz XSQKPCRPRODFPP-FVQBIDKESA-N 2 0 252.446 3.118 10 0 CGAERP CCC[N@H+](CC)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052448275 521614771 /nfs/dbraw/zinc/61/47/71/521614771.db2.gz PDFGRACUHAAAHL-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CCC[NH+](CCC)Cc1cc(C[NH2+]CC)c(C)o1 ZINC000052416739 521649416 /nfs/dbraw/zinc/64/94/16/521649416.db2.gz NPJPLZWODUPRND-UHFFFAOYSA-N 2 0 252.402 3.320 10 0 CGAERP CC[C@@H](C)C[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052454222 521971330 /nfs/dbraw/zinc/97/13/30/521971330.db2.gz WIPCISUCQAOVJF-GFCCVEGCSA-N 2 0 260.381 3.369 10 0 CGAERP CCC[NH2+]CCC[C@H](C)[N@H+](CCOC)C(CC)CC ZINC000052573372 519913522 /nfs/dbraw/zinc/91/35/22/519913522.db2.gz LTXUXSJMAVQACW-HNNXBMFYSA-N 2 0 272.477 3.292 10 0 CGAERP CC[NH2+]CCCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482354 519919251 /nfs/dbraw/zinc/91/92/51/519919251.db2.gz QXCOPJNFZXVUGF-JKSUJKDBSA-N 2 0 252.446 3.278 10 0 CGAERP CC[NH2+]Cc1coc(C[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000052447689 520018191 /nfs/dbraw/zinc/01/81/91/520018191.db2.gz MMZIYIHQQCLNQO-AWEZNQCLSA-N 2 0 250.386 3.154 10 0 CGAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000052478697 520027905 /nfs/dbraw/zinc/02/79/05/520027905.db2.gz NSHHVFCVAQDARZ-ZDUSSCGKSA-N 2 0 252.402 3.174 10 0 CGAERP CCC[C@@H](C)[N@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052480550 520649004 /nfs/dbraw/zinc/64/90/04/520649004.db2.gz IRRDDTGFRAUXDP-CYBMUJFWSA-N 2 0 252.402 3.398 10 0 CGAERP CC[NH+](CC)CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C ZINC000050209656 520699630 /nfs/dbraw/zinc/69/96/30/520699630.db2.gz BNHSNUIYZPZGPP-GFCCVEGCSA-N 2 0 284.831 3.341 10 0 CGAERP CC[C@@H](C1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628621 522463773 /nfs/dbraw/zinc/46/37/73/522463773.db2.gz CTEISPNWFWLRIX-UYTSQGDYSA-N 2 0 250.430 3.299 10 0 CGAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050952641 522788999 /nfs/dbraw/zinc/78/89/99/522788999.db2.gz FECASUPMJOYREC-ZDUSSCGKSA-N 2 0 252.427 3.102 10 0 CGAERP CC[C@H](C)[N@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052444313 523922863 /nfs/dbraw/zinc/92/28/63/523922863.db2.gz JADVLCLWTCKTCH-LBPRGKRZSA-N 2 0 252.402 3.398 10 0 CGAERP Cc1ccc([C@@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602805 525690821 /nfs/dbraw/zinc/69/08/21/525690821.db2.gz BUDGLFXYQSYFPA-HZTRTUMWSA-N 2 0 258.409 3.400 10 0 CGAERP C[C@H](c1cccs1)[N@H+](C)CCC[C@@H]1CCC[NH2+]1 ZINC000052764615 526153609 /nfs/dbraw/zinc/15/36/09/526153609.db2.gz LIBCVLFQYKLSFC-OLZOCXBDSA-N 2 0 252.427 3.273 10 0 CGAERP c1ccc([C@@H]2CC[N@@H+](CCC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000052764746 526493354 /nfs/dbraw/zinc/49/33/54/526493354.db2.gz SBWGGFRSPRXBLX-SJORKVTESA-N 2 0 258.409 3.008 10 0 CGAERP C[C@@H]1C[C@@H]2[NH2+]CCC[C@@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897640 185125994 /nfs/dbraw/zinc/12/59/94/185125994.db2.gz PIVGQFAFEWGSHV-WTTBNOFXSA-N 2 0 258.409 3.038 10 0 CGAERP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133706960 346078547 /nfs/dbraw/zinc/07/85/47/346078547.db2.gz XBHYNUJWBIQWND-HUUCEWRRSA-N 2 0 276.424 3.267 10 0 CGAERP c1nc(CC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000141724793 346109085 /nfs/dbraw/zinc/10/90/85/346109085.db2.gz LDOHAXPAOAYGTO-KRWDZBQOSA-N 2 0 269.392 3.397 10 0 CGAERP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[NH2+]CC3)cc1 ZINC000003955977 368524631 /nfs/dbraw/zinc/52/46/31/368524631.db2.gz UTXZEUAKWJIUPW-UHFFFAOYSA-N 2 0 292.426 3.461 10 0 CGAERP C[NH+](C)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000013526542 368655652 /nfs/dbraw/zinc/65/56/52/368655652.db2.gz IKVLVLHDFWSKRB-UHFFFAOYSA-N 2 0 276.424 3.003 10 0 CGAERP c1ccc(C[N@H+]2CCC[C@@H](CC[NH2+]C3CC3)C2)cc1 ZINC000095079091 370170930 /nfs/dbraw/zinc/17/09/30/370170930.db2.gz KKPNCFZQJCXQRH-INIZCTEOSA-N 2 0 258.409 3.041 10 0 CGAERP CC[NH2+]CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095091564 370174093 /nfs/dbraw/zinc/17/40/93/370174093.db2.gz WXQXLXNYGJNWFQ-QGZVFWFLSA-N 2 0 260.425 3.431 10 0 CGAERP C(C[NH+]1CCCC1)C[NH+]1CCC2(CCCC2)CC1 ZINC000119029150 370637694 /nfs/dbraw/zinc/63/76/94/370637694.db2.gz CCPNBZCIVSRRJK-UHFFFAOYSA-N 2 0 250.430 3.129 10 0 CGAERP Cc1cc(N[C@@H](C)CCCC[NH3+])c2ccccc2[nH+]1 ZINC000311700041 374253563 /nfs/dbraw/zinc/25/35/63/374253563.db2.gz LVQQXQAYZQQXOZ-LBPRGKRZSA-N 2 0 257.381 3.473 10 0 CGAERP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1 ZINC000216331895 376163826 /nfs/dbraw/zinc/16/38/26/376163826.db2.gz OESQEXXUDUBMJL-REEYDVFISA-N 2 0 276.468 3.274 10 0 CGAERP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4ccccc43)CC[C@H]21 ZINC000247075824 377154053 /nfs/dbraw/zinc/15/40/53/377154053.db2.gz QMFGMQBKWGEROZ-RHSMWYFYSA-N 2 0 281.403 3.155 10 0 CGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccccc3)CC[C@H]21 ZINC000248179628 377277799 /nfs/dbraw/zinc/27/77/99/377277799.db2.gz WEISWJJHJUAQEO-ZWKOTPCHSA-N 2 0 272.436 3.035 10 0 CGAERP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958994 377378762 /nfs/dbraw/zinc/37/87/62/377378762.db2.gz IUAIYCWSNSESDB-XIRDDKMYSA-N 2 0 260.425 3.361 10 0 CGAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400467029 379951723 /nfs/dbraw/zinc/95/17/23/379951723.db2.gz WIANLBOGIMMMJC-ZLDLUXBVSA-N 2 0 266.816 3.379 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401051245 379955139 /nfs/dbraw/zinc/95/51/39/379955139.db2.gz YFNYGZPQEGQRCB-OOOWVJFSSA-N 2 0 278.484 3.425 10 0 CGAERP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251046056 393116408 /nfs/dbraw/zinc/11/64/08/393116408.db2.gz DTVWCPCIQTWDFJ-SQNIBIBYSA-N 2 0 272.436 3.224 10 0 CGAERP C[NH+](C)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000005957717 170162000 /nfs/dbraw/zinc/16/20/00/170162000.db2.gz GVHSHGCXKFDOOA-UHFFFAOYSA-N 2 0 283.419 3.477 10 0 CGAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037220255 173037859 /nfs/dbraw/zinc/03/78/59/173037859.db2.gz XUBWQERLBSKCQB-HIFRSBDPSA-N 2 0 280.843 3.202 10 0 CGAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC000037257427 173068387 /nfs/dbraw/zinc/06/83/87/173068387.db2.gz DVZPIUNMZMFNJW-AWEZNQCLSA-N 2 0 252.446 3.277 10 0 CGAERP C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000665239270 419088436 /nfs/dbraw/zinc/08/84/36/419088436.db2.gz PSBNSZZDHISCCT-ZVDSWSACSA-N 2 0 252.446 3.036 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045662731 270038443 /nfs/dbraw/zinc/03/84/43/270038443.db2.gz XWAVVKVUNWJKCN-OWCLPIDISA-N 2 0 254.462 3.379 10 0 CGAERP CC(C)C[NH2+]CCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000052346103 519743335 /nfs/dbraw/zinc/74/33/35/519743335.db2.gz GUPTYAFLTJBPTA-UHFFFAOYSA-N 2 0 266.404 3.283 10 0 CGAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC000052345350 519744564 /nfs/dbraw/zinc/74/45/64/519744564.db2.gz OICJUXTXZWHFQQ-HWOWSKLDSA-N 2 0 254.462 3.379 10 0 CGAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+]1CCCC1 ZINC000054559483 520120013 /nfs/dbraw/zinc/12/00/13/520120013.db2.gz OERNEYDTUSDCBH-BZUAXINKSA-N 2 0 252.446 3.133 10 0 CGAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCC2(CCCC2)CC1 ZINC000062954147 518395156 /nfs/dbraw/zinc/39/51/56/518395156.db2.gz CVRSFYSMONMZEC-HNNXBMFYSA-N 2 0 250.430 3.175 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000052381473 519729043 /nfs/dbraw/zinc/72/90/43/519729043.db2.gz NXHYUNWPGKUMQR-ZDUSSCGKSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000052381281 519747210 /nfs/dbraw/zinc/74/72/10/519747210.db2.gz CFLUKXLWINYYQI-CQSZACIVSA-N 2 0 264.413 3.257 10 0 CGAERP CCCC1CC[NH+](Cc2cc(C[NH3+])oc2C)CC1 ZINC000052373967 519902352 /nfs/dbraw/zinc/90/23/52/519902352.db2.gz LSLJBAVROCTXNV-UHFFFAOYSA-N 2 0 250.386 3.059 10 0 CGAERP CC[NH2+]Cc1sc2ccccc2c1C[N@H+](C)CC ZINC000052445784 520034152 /nfs/dbraw/zinc/03/41/52/520034152.db2.gz XIHCRKJLIDYXQH-UHFFFAOYSA-N 2 0 262.422 3.463 10 0 CGAERP CC[N@H+](Cc1ccc(C[NH2+]C(C)(C)C)o1)C(C)C ZINC000052446721 521306462 /nfs/dbraw/zinc/30/64/62/521306462.db2.gz ZNQYLDFTSLEKIW-UHFFFAOYSA-N 2 0 252.402 3.398 10 0 CGAERP C[NH2+]Cc1occc1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513669 522165397 /nfs/dbraw/zinc/16/53/97/522165397.db2.gz DYSLCRFFXWHOBR-GXTWGEPZSA-N 2 0 250.386 3.010 10 0 CGAERP CC[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052447419 523177789 /nfs/dbraw/zinc/17/77/89/523177789.db2.gz MBZXKPCHILJFGN-CQSZACIVSA-N 2 0 250.386 3.072 10 0 CGAERP CC[C@H](C)C[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052454430 523869227 /nfs/dbraw/zinc/86/92/27/523869227.db2.gz RMACGFZGVUUIPE-AWEZNQCLSA-N 2 0 260.425 3.417 10 0 CGAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cccs1 ZINC000052456303 524142220 /nfs/dbraw/zinc/14/22/20/524142220.db2.gz MRPVZVRERCWXOT-GFCCVEGCSA-N 2 0 252.427 3.101 10 0 CGAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000052425357 524142491 /nfs/dbraw/zinc/14/24/91/524142491.db2.gz OKOWHWNVCRLXTI-CYBMUJFWSA-N 2 0 264.388 3.178 10 0 CGAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)CC1CCCCC1 ZINC000052346798 524457978 /nfs/dbraw/zinc/45/79/78/524457978.db2.gz YSUASXYITBZSHH-AWEZNQCLSA-N 2 0 252.446 3.419 10 0 CGAERP Cc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052482558 524689978 /nfs/dbraw/zinc/68/99/78/524689978.db2.gz NLCYHPGGHJCDCH-HIFRSBDPSA-N 2 0 262.397 3.201 10 0 CGAERP C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C[C@@]1(C)C[NH3+] ZINC000311904785 572349895 /nfs/dbraw/zinc/34/98/95/572349895.db2.gz GKRBYKKMTYQISL-HFBAOOFYSA-N 2 0 278.827 3.244 10 0 CGAERP c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446056 618119867 /nfs/dbraw/zinc/11/98/67/618119867.db2.gz YDIUGYQMWNHCPC-FQEVSTJZSA-N 2 0 294.442 3.341 10 0 CGAERP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C1CCCCC1 ZINC000096950668 185139798 /nfs/dbraw/zinc/13/97/98/185139798.db2.gz JCDHYLMUKNECNW-SJORKVTESA-N 2 0 258.409 3.169 10 0 CGAERP C[NH+](C)CCC[N@@H+]1CC[C@]2(C[C@H]3CCCC[C@H]3C2)C1 ZINC000584652529 346704927 /nfs/dbraw/zinc/70/49/27/346704927.db2.gz OSQDHMIUMMPGLG-BJWYYQGGSA-N 2 0 264.457 3.230 10 0 CGAERP C[C@H]1Cc2ccsc2C2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000584883864 346721598 /nfs/dbraw/zinc/72/15/98/346721598.db2.gz SHFIORCPCIXCMQ-NSHDSACASA-N 2 0 278.465 3.418 10 0 CGAERP [NH3+]CCN1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000616624606 348850231 /nfs/dbraw/zinc/85/02/31/348850231.db2.gz CLJYEEOYHNRQJB-AWEZNQCLSA-N 2 0 252.789 3.216 10 0 CGAERP Cc1ccc([C@@H]([NH2+]CCC[NH3+])c2ccccc2)c(C)c1 ZINC000037713339 369100346 /nfs/dbraw/zinc/10/03/46/369100346.db2.gz MNQRATVUDTWTTP-SFHVURJKSA-N 2 0 268.404 3.331 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000422686916 296145022 /nfs/dbraw/zinc/14/50/22/296145022.db2.gz BBRLEGOBCVBLRY-OLZOCXBDSA-N 2 0 260.425 3.243 10 0 CGAERP C[C@@H]1C[N@@H+]([C@@H]2CCCc3sccc32)C[C@@]1(C)C[NH3+] ZINC000310923410 374229706 /nfs/dbraw/zinc/22/97/06/374229706.db2.gz RQJVXIWODQLREI-UXIGCNINSA-N 2 0 264.438 3.042 10 0 CGAERP c1cn2c(n1)CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C3CC3)C1)C2 ZINC000328625859 374370417 /nfs/dbraw/zinc/37/04/17/374370417.db2.gz DOLYOCWWCWVMTO-FVQBIDKESA-N 2 0 273.424 3.004 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000556963504 376912400 /nfs/dbraw/zinc/91/24/00/376912400.db2.gz JTHVIOQRSPUZOG-MBNYWOFBSA-N 2 0 266.816 3.379 10 0 CGAERP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958659 377378157 /nfs/dbraw/zinc/37/81/57/377378157.db2.gz JRNOXTCSLCMJTO-XKQJLSEDSA-N 2 0 258.409 3.115 10 0 CGAERP CC[C@H](c1cccc(C)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388299935 379884020 /nfs/dbraw/zinc/88/40/20/379884020.db2.gz AGZRZJDBZHQWHE-DJIMGWMZSA-N 2 0 260.425 3.363 10 0 CGAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400528106 379951214 /nfs/dbraw/zinc/95/12/14/379951214.db2.gz QTUOEYVDTPJXME-CMPLNLGQSA-N 2 0 287.234 3.124 10 0 CGAERP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089142432 165198248 /nfs/dbraw/zinc/19/82/48/165198248.db2.gz XDQHEVOTOXGOFV-XNRPHZJLSA-N 2 0 280.843 3.378 10 0 CGAERP CCn1cccc1C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000091022436 165249312 /nfs/dbraw/zinc/24/93/12/165249312.db2.gz ATBFLOCOTIZKCD-OAHLLOKOSA-N 2 0 265.445 3.108 10 0 CGAERP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000094901350 165396344 /nfs/dbraw/zinc/39/63/44/165396344.db2.gz CTJXKPWNXBKSHA-KRWDZBQOSA-N 2 0 274.452 3.446 10 0 CGAERP CC1(C)CC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC(C)(C)[NH2+]1 ZINC000005762122 170137834 /nfs/dbraw/zinc/13/78/34/170137834.db2.gz RAPUMONUZRIDMU-UHFFFAOYSA-N 3 0 295.515 3.276 10 0 CGAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC000037257437 173068801 /nfs/dbraw/zinc/06/88/01/173068801.db2.gz GZMLOAUFZAUYAQ-ZBFHGGJFSA-N 2 0 252.446 3.277 10 0 CGAERP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249983 176094917 /nfs/dbraw/zinc/09/49/17/176094917.db2.gz MQPUGMHSXYNHPW-VXGBXAGGSA-N 2 0 250.361 3.047 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000400339337 274518639 /nfs/dbraw/zinc/51/86/39/274518639.db2.gz FDFSPPKPQOGXSG-DZKIICNBSA-N 2 0 268.404 3.488 10 0 CGAERP C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000570708813 322280292 /nfs/dbraw/zinc/28/02/92/322280292.db2.gz UEJGPPVIQHAXOL-KGLIPLIRSA-N 2 0 250.430 3.101 10 0 CGAERP CCC[NH2+]Cc1oc(C[N@H+](CC)CCC)cc1C ZINC000052448695 519973641 /nfs/dbraw/zinc/97/36/41/519973641.db2.gz ONAWJQIOGXSHDP-UHFFFAOYSA-N 2 0 252.402 3.320 10 0 CGAERP CC[N@H+](CCCC[NH2+]C(C)(C)C)Cc1ccco1 ZINC000052570500 521005170 /nfs/dbraw/zinc/00/51/70/521005170.db2.gz MYYTZZRFKPUQPQ-UHFFFAOYSA-N 2 0 252.402 3.270 10 0 CGAERP CC(C)(C)[NH2+]Cc1ccoc1C[NH+]1CCCCC1 ZINC000052421189 518765970 /nfs/dbraw/zinc/76/59/70/518765970.db2.gz GSCMOUMWXAHRJS-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)C(C)C ZINC000054559591 520121832 /nfs/dbraw/zinc/12/18/32/520121832.db2.gz NVWQNZDDSHHRPH-ARFHVFGLSA-N 2 0 254.462 3.377 10 0 CGAERP C[NH2+]Cc1occc1C[N@H+](Cc1cccs1)C(C)C ZINC000052544978 522164404 /nfs/dbraw/zinc/16/44/04/522164404.db2.gz QXONXKXPIBQSTJ-UHFFFAOYSA-N 2 0 278.421 3.471 10 0 CGAERP CC[C@H](C)[N@H+](CCCCC[NH2+]CC(C)C)CCOC ZINC000052547410 523936148 /nfs/dbraw/zinc/93/61/48/523936148.db2.gz VGQSJWYCQJDSPP-INIZCTEOSA-N 2 0 272.477 3.149 10 0 CGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)C[NH2+]CC(C)C)cc1 ZINC000052424599 524390343 /nfs/dbraw/zinc/39/03/43/524390343.db2.gz BWTLASUQOPJYES-INIZCTEOSA-N 2 0 262.441 3.309 10 0 CGAERP C[C@@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602430 526058257 /nfs/dbraw/zinc/05/82/57/526058257.db2.gz ZJRBKBIQOPJNML-RJPYNODJSA-N 2 0 262.372 3.231 10 0 CGAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423485168 526647667 /nfs/dbraw/zinc/64/76/67/526647667.db2.gz ARACCZXSSBZBCS-BARDWOONSA-N 2 0 252.446 3.308 10 0 CGAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052508137 526768978 /nfs/dbraw/zinc/76/89/78/526768978.db2.gz WJZWTPMUALHYCV-UHFFFAOYSA-N 2 0 278.783 3.332 10 0 CGAERP Cc1occc1C[N@@H+](C)[C@H](C)CCC[NH2+]CC(C)C ZINC000052346585 526827367 /nfs/dbraw/zinc/82/73/67/526827367.db2.gz MFTQEVQISLIVQX-CQSZACIVSA-N 2 0 266.429 3.434 10 0 CGAERP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485567 529125675 /nfs/dbraw/zinc/12/56/75/529125675.db2.gz XJAZPHQVWRSSTR-BJJXKVORSA-N 2 0 264.388 3.110 10 0 CGAERP [NH3+]C[C@H]1CC[C@@]2(C1)CCCC[N@@H+]2Cc1ccccc1 ZINC000096897642 185125233 /nfs/dbraw/zinc/12/52/33/185125233.db2.gz NCWVNAPPKVKQQL-DLBZAZTESA-N 2 0 258.409 3.170 10 0 CGAERP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000170778938 346198647 /nfs/dbraw/zinc/19/86/47/346198647.db2.gz DNEQHEVOGDHSIV-MRXNPFEDSA-N 2 0 273.424 3.314 10 0 CGAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000037644358 369095597 /nfs/dbraw/zinc/09/55/97/369095597.db2.gz OIJUTKHGSXNHKP-KTAKPFMOSA-N 2 0 276.399 3.003 10 0 CGAERP Cc1cccc(C2CC([NH2+]CC3CC[NH+](C)CC3)C2)c1 ZINC000044516371 369263789 /nfs/dbraw/zinc/26/37/89/369263789.db2.gz ZANMCQIWQXEPFB-UHFFFAOYSA-N 2 0 272.436 3.172 10 0 CGAERP CC(C)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000053659647 369488150 /nfs/dbraw/zinc/48/81/50/369488150.db2.gz JSHGXRUZULMGQF-UHFFFAOYSA-N 2 0 264.388 3.036 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000400473655 296150833 /nfs/dbraw/zinc/15/08/33/296150833.db2.gz YWRXRYFFRMCNHD-IYOUNJFTSA-N 2 0 272.436 3.214 10 0 CGAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576837 541952800 /nfs/dbraw/zinc/95/28/00/541952800.db2.gz NBIKHGPUILIVFT-GPANFISMSA-N 2 0 252.446 3.133 10 0 CGAERP FC1(F)CCC[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336187471 375754950 /nfs/dbraw/zinc/75/49/50/375754950.db2.gz BXLGUYFSHMOJRI-GJZGRUSLSA-N 2 0 286.410 3.372 10 0 CGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000251187905 377575932 /nfs/dbraw/zinc/57/59/32/377575932.db2.gz YHHWHCDHNCEDAZ-FPCVCCKLSA-N 2 0 258.409 3.271 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(NCc2ccccc2)cc1 ZINC000575439407 377911498 /nfs/dbraw/zinc/91/14/98/377911498.db2.gz JHZONJMZOORKFC-GOSISDBHSA-N 2 0 283.419 3.428 10 0 CGAERP C[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000582354458 378306322 /nfs/dbraw/zinc/30/63/22/378306322.db2.gz MFJZSUGTCKEUGV-GOEBONIOSA-N 2 0 268.404 3.318 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400348271 379949634 /nfs/dbraw/zinc/94/96/34/379949634.db2.gz IPEUTFJZIDRVBP-LJISPDSOSA-N 2 0 252.446 3.179 10 0 CGAERP CC[C@H](c1ccsc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000394387892 392938446 /nfs/dbraw/zinc/93/84/46/392938446.db2.gz YFXOVDJADSBHIB-MRVWCRGKSA-N 2 0 252.427 3.116 10 0 CGAERP C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CC[NH2+]C1 ZINC000400336003 392947588 /nfs/dbraw/zinc/94/75/88/392947588.db2.gz DFOYVEKXFGBJLD-WDMOLILDSA-N 2 0 296.867 3.465 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000678738534 543552673 /nfs/dbraw/zinc/55/26/73/543552673.db2.gz IKVXOTPNSXQADN-JKSUJKDBSA-N 2 0 260.425 3.438 10 0 CGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093844563 165338323 /nfs/dbraw/zinc/33/83/23/165338323.db2.gz DQKUWBBTNXRLCZ-INIZCTEOSA-N 2 0 289.467 3.491 10 0 CGAERP C[C@H]([NH2+]C1CCCCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037209472 173030211 /nfs/dbraw/zinc/03/02/11/173030211.db2.gz MWHVLIMKMTXKIE-GJZGRUSLSA-N 2 0 252.446 3.419 10 0 CGAERP CC[N@H+](Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000037538099 173257516 /nfs/dbraw/zinc/25/75/16/173257516.db2.gz RRRGDCHSSBQLTQ-UHFFFAOYSA-N 2 0 297.240 3.023 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCC3)cc1F ZINC000657392301 419267733 /nfs/dbraw/zinc/26/77/33/419267733.db2.gz QPZBRIZEEXMQIR-LBPRGKRZSA-N 2 0 273.355 3.128 10 0 CGAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3ccccc32)C1 ZINC000248663263 277156191 /nfs/dbraw/zinc/15/61/91/277156191.db2.gz JSBHADACAAQLIV-WMLDXEAASA-N 2 0 281.403 3.155 10 0 CGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382507646 336091901 /nfs/dbraw/zinc/09/19/01/336091901.db2.gz NGOIBGYTBYMJKP-DAXOMENPSA-N 2 0 264.388 3.194 10 0 CGAERP CC(C)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000385481723 336148708 /nfs/dbraw/zinc/14/87/08/336148708.db2.gz GFCJWORWYLSXGJ-LVQVYYBASA-N 2 0 252.446 3.118 10 0 CGAERP CCC[NH2+]Cc1occc1C[N@H+](CCC)C(C)C ZINC000052450324 519971853 /nfs/dbraw/zinc/97/18/53/519971853.db2.gz OWUNKHOSUGTYTB-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CC(C)(C)[NH2+]Cc1ccccc1C[NH+]1CCSCC1 ZINC000052443312 518766002 /nfs/dbraw/zinc/76/60/02/518766002.db2.gz UJRRMJUMKNREJI-UHFFFAOYSA-N 2 0 278.465 3.124 10 0 CGAERP CC(C)C[N@H+](C(C)C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023342 519707777 /nfs/dbraw/zinc/70/77/77/519707777.db2.gz BDKLLGIMTLDRBF-HNNXBMFYSA-N 2 0 261.413 3.420 10 0 CGAERP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011173 519725170 /nfs/dbraw/zinc/72/51/70/519725170.db2.gz OCXBLKMSBOEJCS-OAHLLOKOSA-N 2 0 252.446 3.419 10 0 CGAERP CCCC1(C[NH+]2CCC(CC)CC2)CC[NH2+]CC1 ZINC000062850846 519889002 /nfs/dbraw/zinc/88/90/02/519889002.db2.gz CTLCDFPYQRNKMX-UHFFFAOYSA-N 2 0 252.446 3.278 10 0 CGAERP CCC[NH2+]Cc1coc(C[NH+](CCC)CCC)c1 ZINC000052416811 519964827 /nfs/dbraw/zinc/96/48/27/519964827.db2.gz ZTQAVENIZMKVHP-UHFFFAOYSA-N 2 0 252.402 3.401 10 0 CGAERP CC[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccsc1 ZINC000052457437 520006404 /nfs/dbraw/zinc/00/64/04/520006404.db2.gz MFTVUIIAPTUSBU-UHFFFAOYSA-N 2 0 274.433 3.490 10 0 CGAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+]1CCCC1 ZINC000054559482 520220131 /nfs/dbraw/zinc/22/01/31/520220131.db2.gz OERNEYDTUSDCBH-XHSDSOJGSA-N 2 0 252.446 3.133 10 0 CGAERP C[NH2+]CC1(C[N@H+](C)Cc2ccc(C)cc2)CCCC1 ZINC000051214067 521965804 /nfs/dbraw/zinc/96/58/04/521965804.db2.gz BSGWTTPMLBXROD-UHFFFAOYSA-N 2 0 260.425 3.207 10 0 CGAERP C[NH2+]CCCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346383 521991421 /nfs/dbraw/zinc/99/14/21/521991421.db2.gz AAWRBGGWCTVENT-UHFFFAOYSA-N 2 0 254.805 3.162 10 0 CGAERP C[NH2+]Cc1cccc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000052382933 522128081 /nfs/dbraw/zinc/12/80/81/522128081.db2.gz LRSYOSHGDOMOGG-UHFFFAOYSA-N 2 0 272.417 3.026 10 0 CGAERP C[N@@H+](Cc1c2ccccc2sc1C[NH3+])CC1CC1 ZINC000052483622 523160442 /nfs/dbraw/zinc/16/04/42/523160442.db2.gz FIGNCKLTFNFWPO-UHFFFAOYSA-N 2 0 260.406 3.202 10 0 CGAERP CC[C@H]1CC[N@@H+](C2CCCCCC2)C[C@H](C)C[NH2+]1 ZINC000049665834 523165901 /nfs/dbraw/zinc/16/59/01/523165901.db2.gz YHOCMLVGNSTKDO-CABCVRRESA-N 2 0 252.446 3.419 10 0 CGAERP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346142 524732974 /nfs/dbraw/zinc/73/29/74/524732974.db2.gz DNXGITSYPLDRRZ-ZDUSSCGKSA-N 2 0 266.404 3.282 10 0 CGAERP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400555264 528242989 /nfs/dbraw/zinc/24/29/89/528242989.db2.gz ZAJBDPXXTBIYFL-DZKIICNBSA-N 2 0 276.424 3.122 10 0 CGAERP CC(C)Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000131758931 528649757 /nfs/dbraw/zinc/64/97/57/528649757.db2.gz CCOINQJASBKZKE-RHSMWYFYSA-N 2 0 260.425 3.054 10 0 CGAERP Cc1cc2ccccc2nc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129341283 346048567 /nfs/dbraw/zinc/04/85/67/346048567.db2.gz MDLJSTYVZPVDKV-KRWDZBQOSA-N 2 0 269.392 3.345 10 0 CGAERP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC)C2)cc1 ZINC000389450585 346573011 /nfs/dbraw/zinc/57/30/11/346573011.db2.gz QCZCMVLUJMFCHH-GOEBONIOSA-N 2 0 276.424 3.220 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C(C)(C)C)[C@@H]2C1 ZINC000409430012 346605429 /nfs/dbraw/zinc/60/54/29/346605429.db2.gz KKFLVBXDWQRFCH-BRWVUGGUSA-N 2 0 272.436 3.095 10 0 CGAERP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000629531489 350703763 /nfs/dbraw/zinc/70/37/63/350703763.db2.gz MWVJYJOZPRZIAW-VXGBXAGGSA-N 2 0 262.388 3.036 10 0 CGAERP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000049856274 571984692 /nfs/dbraw/zinc/98/46/92/571984692.db2.gz FWKOHYURJKITQZ-OLZOCXBDSA-N 2 0 252.427 3.273 10 0 CGAERP CCc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000301765161 201184854 /nfs/dbraw/zinc/18/48/54/201184854.db2.gz BDNDXPLEQXBBMY-FZKQIMNGSA-N 2 0 283.419 3.184 10 0 CGAERP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C2CC2)CC3)cc1 ZINC000095079243 370170888 /nfs/dbraw/zinc/17/08/88/370170888.db2.gz FUIYEDFIJJFDCF-UHFFFAOYSA-N 2 0 270.420 3.137 10 0 CGAERP CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422757777 371790523 /nfs/dbraw/zinc/79/05/23/371790523.db2.gz MWFIBJYJFPTGSM-UONOGXRCSA-N 2 0 260.425 3.144 10 0 CGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 ZINC000224994372 376292357 /nfs/dbraw/zinc/29/23/57/376292357.db2.gz MLADNOLBOGJIRM-YLFCFFPRSA-N 2 0 266.473 3.379 10 0 CGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000234801843 376620070 /nfs/dbraw/zinc/62/00/70/376620070.db2.gz VBIJUXMYYDHANC-YOEHRIQHSA-N 2 0 278.440 3.215 10 0 CGAERP [NH3+]CCC[C@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000575437871 377909891 /nfs/dbraw/zinc/90/98/91/377909891.db2.gz BTJFTARWZCWBNP-INIZCTEOSA-N 2 0 270.376 3.004 10 0 CGAERP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000400395894 379949518 /nfs/dbraw/zinc/94/95/18/379949518.db2.gz PEKZVROSJNWWIL-NTZNESFSSA-N 2 0 252.427 3.014 10 0 CGAERP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000400395891 379949975 /nfs/dbraw/zinc/94/99/75/379949975.db2.gz PEKZVROSJNWWIL-GMXVVIOVSA-N 2 0 252.427 3.014 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CC[NH2+]C1 ZINC000400336001 392947661 /nfs/dbraw/zinc/94/76/61/392947661.db2.gz DFOYVEKXFGBJLD-MISXGVKJSA-N 2 0 296.867 3.465 10 0 CGAERP Cc1cc(NC[C@@H]2CCCC[NH2+]2)c2ccccc2[nH+]1 ZINC000044493483 397618758 /nfs/dbraw/zinc/61/87/58/397618758.db2.gz JZJCUDXJLXXQDJ-ZDUSSCGKSA-N 2 0 255.365 3.097 10 0 CGAERP C[N@H+](C[C@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394620154 397695546 /nfs/dbraw/zinc/69/55/46/397695546.db2.gz FAPNJZWFXQNMSD-HABKJSAYSA-N 2 0 272.383 3.027 10 0 CGAERP Cc1ccc(OCCC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000070149712 165059242 /nfs/dbraw/zinc/05/92/42/165059242.db2.gz FJIUXAUFUJPMIH-KRWDZBQOSA-N 2 0 290.451 3.276 10 0 CGAERP Cc1ccccc1C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128557 171015376 /nfs/dbraw/zinc/01/53/76/171015376.db2.gz OQJLUOUFGWEMMT-UHFFFAOYSA-N 2 0 268.404 3.346 10 0 CGAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071249971 176095136 /nfs/dbraw/zinc/09/51/36/176095136.db2.gz MQPUGMHSXYNHPW-TXEJJXNPSA-N 2 0 250.361 3.047 10 0 CGAERP CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2cccs2)CC1 ZINC000071271024 176104417 /nfs/dbraw/zinc/10/44/17/176104417.db2.gz NNCAGZAAKPBVSJ-ZDUSSCGKSA-N 2 0 266.454 3.143 10 0 CGAERP C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000665284055 419104840 /nfs/dbraw/zinc/10/48/40/419104840.db2.gz ZNJYSSPUPPEMLW-AKBUMOGYSA-N 2 0 264.457 3.323 10 0 CGAERP COc1ccc([C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C2CC2)cc1 ZINC000037197175 270028983 /nfs/dbraw/zinc/02/89/83/270028983.db2.gz MRTWNSMUIOKWIQ-KRWDZBQOSA-N 2 0 290.451 3.324 10 0 CGAERP CC(C)C[NH2+]CCCC[N@@H+]1CCc2sccc2C1 ZINC000052382864 519743261 /nfs/dbraw/zinc/74/32/61/519743261.db2.gz AJPZVCYVEHNZHX-UHFFFAOYSA-N 2 0 266.454 3.132 10 0 CGAERP CCC[N@H+](Cc1cc(C[NH2+]CC)c(C)o1)C(C)C ZINC000052450269 521681136 /nfs/dbraw/zinc/68/11/36/521681136.db2.gz CESSFYDXDRCIFG-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CC(C)(C)[NH2+]Cc1ccoc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543801 518766506 /nfs/dbraw/zinc/76/65/06/518766506.db2.gz DVMOKRZJHLJFTK-GXTWGEPZSA-N 2 0 262.397 3.152 10 0 CGAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCc3sccc32)C1 ZINC000061363886 519976013 /nfs/dbraw/zinc/97/60/13/519976013.db2.gz GMDGTNICQWQSFK-TZMCWYRMSA-N 2 0 264.438 3.057 10 0 CGAERP CCCC[N@H+](Cc1cc(C[NH3+])oc1C)[C@H](C)CC ZINC000052372724 520544383 /nfs/dbraw/zinc/54/43/83/520544383.db2.gz HVCJEVSVPVXUOL-GFCCVEGCSA-N 2 0 252.402 3.447 10 0 CGAERP CC1CC[NH+](Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052377123 521025010 /nfs/dbraw/zinc/02/50/10/521025010.db2.gz JCHKSVGAZPQRFM-UHFFFAOYSA-N 2 0 258.409 3.171 10 0 CGAERP C[NH2+]Cc1ccccc1C[N@H+](C)CC1CCCCC1 ZINC000052346846 522132801 /nfs/dbraw/zinc/13/28/01/522132801.db2.gz WCVMASRKWQPQSO-UHFFFAOYSA-N 2 0 260.425 3.418 10 0 CGAERP C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1C[NH+]1CCCCC1 ZINC000054559602 522398439 /nfs/dbraw/zinc/39/84/39/522398439.db2.gz KCVJLUKYKUYAEA-HRCADAONSA-N 2 0 252.446 3.133 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159582 525744509 /nfs/dbraw/zinc/74/45/09/525744509.db2.gz GWBIJFCUXKJZQQ-MGPQQGTHSA-N 2 0 266.454 3.437 10 0 CGAERP C[C@H]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206107 526255328 /nfs/dbraw/zinc/25/53/28/526255328.db2.gz UCZWZECWKLGNKD-XHSDSOJGSA-N 2 0 252.446 3.277 10 0 CGAERP CC(C)(CCc1ccccc1)[NH2+]CCC[NH+]1CCCC1 ZINC000153479098 527063456 /nfs/dbraw/zinc/06/34/56/527063456.db2.gz DDZHZCISHAIFSX-UHFFFAOYSA-N 2 0 274.452 3.473 10 0 CGAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nc2ccccc2s1 ZINC000051693661 618763271 /nfs/dbraw/zinc/76/32/71/618763271.db2.gz PHDYZVVNCYPBMD-VOMCLLRMSA-N 2 0 275.421 3.217 10 0 CGAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCc1ccccc1 ZINC000019912941 634375444 /nfs/dbraw/zinc/37/54/44/634375444.db2.gz VVKQMQIPRPTNMU-MRXNPFEDSA-N 2 0 260.425 3.083 10 0 CGAERP [NH3+]C[C@H]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000096897655 185125746 /nfs/dbraw/zinc/12/57/46/185125746.db2.gz XYHASJSDLMAJOP-IRXDYDNUSA-N 2 0 258.409 3.028 10 0 CGAERP C[C@@H]1C[C@H]2[NH2+]CCC[C@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897637 185126137 /nfs/dbraw/zinc/12/61/37/185126137.db2.gz PIVGQFAFEWGSHV-YQFWSFKMSA-N 2 0 258.409 3.038 10 0 CGAERP C[C@@H]1C[C@H]2[NH2+]CCC[C@@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897639 185126216 /nfs/dbraw/zinc/12/62/16/185126216.db2.gz PIVGQFAFEWGSHV-YALNPMBYSA-N 2 0 258.409 3.038 10 0 CGAERP Fc1ccccc1C1=CC[N@H+](CCCn2ccnc2)CC1 ZINC000127623479 138390112 /nfs/dbraw/zinc/39/01/12/138390112.db2.gz YVZJSMMQHYLMAK-UHFFFAOYSA-N 2 0 285.366 3.202 10 0 CGAERP C[C@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000400411524 299267786 /nfs/dbraw/zinc/26/77/86/299267786.db2.gz UEGUJJALCYBTQH-QWHCGFSZSA-N 2 0 252.446 3.179 10 0 CGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)[nH+]1 ZINC000177093028 189027978 /nfs/dbraw/zinc/02/79/78/189027978.db2.gz OAPNGRHORXAJJR-JKSUJKDBSA-N 2 0 296.418 3.280 10 0 CGAERP Cc1cccc2c(N(C)C[C@@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC000301681532 201134717 /nfs/dbraw/zinc/13/47/17/201134717.db2.gz SBFOYOANHDJLQG-OAHLLOKOSA-N 2 0 283.419 3.321 10 0 CGAERP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000041721087 369196226 /nfs/dbraw/zinc/19/62/26/369196226.db2.gz GHTSGRNVCXXQJL-CYBMUJFWSA-N 2 0 255.365 3.131 10 0 CGAERP Clc1ccc2nccc(NC[C@H]3CCC[NH2+]C3)c2c1 ZINC000073738711 369864156 /nfs/dbraw/zinc/86/41/56/369864156.db2.gz YFNUWHUSUMTORA-NSHDSACASA-N 2 0 275.783 3.300 10 0 CGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000234740363 376620720 /nfs/dbraw/zinc/62/07/20/376620720.db2.gz VBIJUXMYYDHANC-WMLDXEAASA-N 2 0 278.440 3.215 10 0 CGAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(NCc2ccccc2)cc1 ZINC000575438850 377911153 /nfs/dbraw/zinc/91/11/53/377911153.db2.gz CSEKSLHWSRTIDV-QGZVFWFLSA-N 2 0 269.392 3.037 10 0 CGAERP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603695 379466018 /nfs/dbraw/zinc/46/60/18/379466018.db2.gz LEMLFVYHFBSPEG-GBESFXJTSA-N 2 0 295.430 3.015 10 0 CGAERP Cc1ccccc1[C@@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000093248814 397642170 /nfs/dbraw/zinc/64/21/70/397642170.db2.gz COKFFNCBBCXWND-KRWDZBQOSA-N 2 0 254.377 3.023 10 0 CGAERP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC)C2)CC1 ZINC000080456527 287065825 /nfs/dbraw/zinc/06/58/25/287065825.db2.gz UNDAGHQAWNSQGG-GDBMZVCRSA-N 2 0 252.446 3.419 10 0 CGAERP CCCn1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000091009857 165249451 /nfs/dbraw/zinc/24/94/51/165249451.db2.gz QPVWYTJEACFYGN-UHFFFAOYSA-N 2 0 277.456 3.110 10 0 CGAERP CCn1cc(C[NH2+]CCC[NH+](CC)CC)c2ccccc21 ZINC000020968481 171283045 /nfs/dbraw/zinc/28/30/45/171283045.db2.gz UFELQQVIIMYOGV-UHFFFAOYSA-N 2 0 287.451 3.483 10 0 CGAERP CCCC1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000040748941 174393848 /nfs/dbraw/zinc/39/38/48/174393848.db2.gz VMZLEHJNIDQMAD-SVFSVNPNSA-N 2 0 250.430 3.299 10 0 CGAERP NC(=[NH2+])c1ccc(-c2cc3ccc(C(N)=[NH2+])cc3s2)cc1 ZINC000006093370 274932017 /nfs/dbraw/zinc/93/20/17/274932017.db2.gz SPCBWDMYJMBYDT-UHFFFAOYSA-N 2 0 294.383 3.136 10 0 CGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC2(CC[NH2+]2)CC1 ZINC000335015797 281308142 /nfs/dbraw/zinc/30/81/42/281308142.db2.gz BVOQUFOAMPVGTJ-UHFFFAOYSA-N 2 0 281.403 3.184 10 0 CGAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551937 295237425 /nfs/dbraw/zinc/23/74/25/295237425.db2.gz BOKYPYLSGRBPPW-OLZOCXBDSA-N 2 0 260.372 3.015 10 0 CGAERP C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000570708812 322280277 /nfs/dbraw/zinc/28/02/77/322280277.db2.gz UEJGPPVIQHAXOL-KBPBESRZSA-N 2 0 250.430 3.101 10 0 CGAERP CCCC[N@H+](CC)Cc1cc(C[NH2+]C2CC2)oc1C ZINC000052418850 520479148 /nfs/dbraw/zinc/47/91/48/520479148.db2.gz QNJVSBLOSVDQTN-UHFFFAOYSA-N 2 0 264.413 3.462 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC[NH2+]1 ZINC000423367268 533967063 /nfs/dbraw/zinc/96/70/63/533967063.db2.gz DIOFBSAZNTWZIS-KBXIAJHMSA-N 2 0 252.446 3.321 10 0 CGAERP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730207 521799980 /nfs/dbraw/zinc/79/99/80/521799980.db2.gz DHPGLSKHLPTMKC-UHFFFAOYSA-N 2 0 284.831 3.169 10 0 CGAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1C ZINC000054602151 521952086 /nfs/dbraw/zinc/95/20/86/521952086.db2.gz BEGGCUGQEIXTQB-ALOPSCKCSA-N 2 0 258.409 3.100 10 0 CGAERP C[NH2+]CCCCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371816 521990904 /nfs/dbraw/zinc/99/09/04/521990904.db2.gz SSIZUPBKODCEAG-UHFFFAOYSA-N 2 0 299.256 3.271 10 0 CGAERP CC[C@H](C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 ZINC000052340484 522086258 /nfs/dbraw/zinc/08/62/58/522086258.db2.gz TZPWJTLWPVGJJR-VNQPRFMTSA-N 2 0 252.446 3.275 10 0 CGAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCc3sccc31)C2 ZINC000061330934 524031192 /nfs/dbraw/zinc/03/11/92/524031192.db2.gz NDPKSBVVERUDIA-VYHDIPPYSA-N 2 0 276.449 3.340 10 0 CGAERP C[C@H]1CCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052375987 524119719 /nfs/dbraw/zinc/11/97/19/524119719.db2.gz WZKHPKVWVKFYDD-LBPRGKRZSA-N 2 0 250.386 3.152 10 0 CGAERP Cc1nc(C)c([C@H](C)[NH2+]CCCCCCC[NH3+])s1 ZINC000049538798 526751964 /nfs/dbraw/zinc/75/19/64/526751964.db2.gz YWQBCVBYTOPHKZ-NSHDSACASA-N 2 0 269.458 3.320 10 0 CGAERP C[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000163106126 619311182 /nfs/dbraw/zinc/31/11/82/619311182.db2.gz JONUETXSGMXHPO-MRXNPFEDSA-N 2 0 288.435 3.220 10 0 CGAERP [NH3+]C[C@H]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000096897654 185126047 /nfs/dbraw/zinc/12/60/47/185126047.db2.gz XYHASJSDLMAJOP-DLBZAZTESA-N 2 0 258.409 3.028 10 0 CGAERP c1nc(CC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000141724366 346109195 /nfs/dbraw/zinc/10/91/95/346109195.db2.gz DMJWYEBXFILBND-INIZCTEOSA-N 2 0 269.392 3.255 10 0 CGAERP CCCOc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231462937 346322719 /nfs/dbraw/zinc/32/27/19/346322719.db2.gz VPGHAPMYXICJII-INIZCTEOSA-N 2 0 276.424 3.049 10 0 CGAERP Cc1[nH+]ccc(N2CCc3ccccc3[C@@H]2C[NH3+])c1Cl ZINC000312551667 346477792 /nfs/dbraw/zinc/47/77/92/346477792.db2.gz MCSAWMFYJSXOKU-HNNXBMFYSA-N 2 0 287.794 3.106 10 0 CGAERP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381186313 346557925 /nfs/dbraw/zinc/55/79/25/346557925.db2.gz MMAPDMMNWLOXEP-LALPHHSUSA-N 2 0 266.816 3.318 10 0 CGAERP [NH3+][C@H]1CCCCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000631834606 351149718 /nfs/dbraw/zinc/14/97/18/351149718.db2.gz BIYFRCJOFYBROT-OLZOCXBDSA-N 2 0 260.372 3.015 10 0 CGAERP C[n+]1c2ccccc2ccc1-c1ccc2ccccc2[n+]1C ZINC000002529745 368462207 /nfs/dbraw/zinc/46/22/07/368462207.db2.gz LRDPKHCJXLQSBG-UHFFFAOYSA-N 2 0 286.378 3.309 10 0 CGAERP Cc1ccc(C[NH+]2CCC(C[NH2+]C(C)C)CC2)cc1 ZINC000053659730 369488108 /nfs/dbraw/zinc/48/81/08/369488108.db2.gz PTLBMOZZEUNOFB-UHFFFAOYSA-N 2 0 260.425 3.205 10 0 CGAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000037092475 541861563 /nfs/dbraw/zinc/86/15/63/541861563.db2.gz YALPGVDBLUFAAB-XGNXJENSSA-N 2 0 292.389 3.427 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC(C)(C)C1 ZINC000423549441 372072329 /nfs/dbraw/zinc/07/23/29/372072329.db2.gz RZEYDLBONYOBBJ-CWVYHPPDSA-N 2 0 264.457 3.179 10 0 CGAERP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247244827 377182615 /nfs/dbraw/zinc/18/26/15/377182615.db2.gz ZDUBVXLMKIJTCO-YDHLFZDLSA-N 2 0 276.449 3.342 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccccc3)CC[C@H]21 ZINC000248179625 377277610 /nfs/dbraw/zinc/27/76/10/377277610.db2.gz WEISWJJHJUAQEO-QZTJIDSGSA-N 2 0 272.436 3.035 10 0 CGAERP C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000667030924 542838595 /nfs/dbraw/zinc/83/85/95/542838595.db2.gz FPERNNZGLUMERO-IIAWOOMASA-N 2 0 252.446 3.323 10 0 CGAERP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191556 165031936 /nfs/dbraw/zinc/03/19/36/165031936.db2.gz AVQLRVIHOALEHU-NVXWUHKLSA-N 2 0 260.425 3.314 10 0 CGAERP CC1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000020128563 171015700 /nfs/dbraw/zinc/01/57/00/171015700.db2.gz VXGYEBWJBXUSJE-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000037220002 173037792 /nfs/dbraw/zinc/03/77/92/173037792.db2.gz WKSOMWGZWGVZEJ-OLZOCXBDSA-N 2 0 264.388 3.207 10 0 CGAERP CCCc1ccc([C@@H](C)[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071141785 176039548 /nfs/dbraw/zinc/03/95/48/176039548.db2.gz GYLDSHWJIQSDIQ-GDBMZVCRSA-N 2 0 260.425 3.241 10 0 CGAERP C[NH2+]CCC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261558935 277021462 /nfs/dbraw/zinc/02/14/62/277021462.db2.gz GCXUENLPSRNRJX-CQSZACIVSA-N 2 0 274.399 3.133 10 0 CGAERP C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000570708815 322280211 /nfs/dbraw/zinc/28/02/11/322280211.db2.gz UEJGPPVIQHAXOL-ZIAGYGMSSA-N 2 0 250.430 3.101 10 0 CGAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580541204 335250448 /nfs/dbraw/zinc/25/04/48/335250448.db2.gz NIERWRUOKGDLKO-WCVJEAGWSA-N 2 0 252.446 3.179 10 0 CGAERP CCC[NH+](CCC)Cc1occc1C[NH2+]C(C)C ZINC000052416734 521648968 /nfs/dbraw/zinc/64/89/68/521648968.db2.gz ASGWPISVAQBAJU-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000052381200 519727312 /nfs/dbraw/zinc/72/73/12/519727312.db2.gz YBCKYJJEMGBRKD-HNNXBMFYSA-N 2 0 260.425 3.417 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000052378915 519728525 /nfs/dbraw/zinc/72/85/25/519728525.db2.gz FRQSZTBWLGRJFD-CYBMUJFWSA-N 2 0 250.386 3.152 10 0 CGAERP CC[N@H+](CCC[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000052764641 521043555 /nfs/dbraw/zinc/04/35/55/521043555.db2.gz DUQNTUKYMAWAEL-CYBMUJFWSA-N 2 0 252.427 3.102 10 0 CGAERP CC[N@H+](Cc1occc1C[NH2+]C)Cc1ccccc1 ZINC000052443741 521469979 /nfs/dbraw/zinc/46/99/79/521469979.db2.gz SLDCTHAIZRNCLB-UHFFFAOYSA-N 2 0 258.365 3.021 10 0 CGAERP C[NH2+]Cc1cccc(C[N@H+](C)Cc2cccs2)c1 ZINC000052456134 522127035 /nfs/dbraw/zinc/12/70/35/522127035.db2.gz WTTUNVOPCMKPRC-UHFFFAOYSA-N 2 0 260.406 3.100 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482255 522142703 /nfs/dbraw/zinc/14/27/03/522142703.db2.gz GKRHHBJSJKMHTM-UKRRQHHQSA-N 2 0 262.397 3.011 10 0 CGAERP CC[C@]1(C[NH+]2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC000062912475 523607189 /nfs/dbraw/zinc/60/71/89/523607189.db2.gz WOUFDYWMITVGTH-INIZCTEOSA-N 2 0 264.457 3.422 10 0 CGAERP C[C@H](CC[NH2+]C1CC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052508314 524192830 /nfs/dbraw/zinc/19/28/30/524192830.db2.gz SFOZQHRTNIWVOA-GFCCVEGCSA-N 2 0 266.816 3.302 10 0 CGAERP Cc1oc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1C[NH3+] ZINC000052546687 526768829 /nfs/dbraw/zinc/76/88/29/526768829.db2.gz GBCJRKUOALELAY-XHDPSFHLSA-N 2 0 250.386 3.057 10 0 CGAERP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)CC12CCCCC2 ZINC000096950673 185140022 /nfs/dbraw/zinc/14/00/22/185140022.db2.gz XFQLDVQWRWGUPP-INIZCTEOSA-N 2 0 258.409 3.170 10 0 CGAERP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)CC12CCCCC2 ZINC000096950674 185140043 /nfs/dbraw/zinc/14/00/43/185140043.db2.gz XFQLDVQWRWGUPP-MRXNPFEDSA-N 2 0 258.409 3.170 10 0 CGAERP CC[N@H+](CCCCCC[NH3+])CCc1ccccc1OC ZINC000138572867 346096974 /nfs/dbraw/zinc/09/69/74/346096974.db2.gz IFPBOMJMVJMXQE-UHFFFAOYSA-N 2 0 278.440 3.079 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000409429044 346604862 /nfs/dbraw/zinc/60/48/62/346604862.db2.gz HMADQGVNEBTSJJ-VAMGGRTRSA-N 2 0 292.426 3.421 10 0 CGAERP CCC(CC)[C@@H]1[C@@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409428268 346605465 /nfs/dbraw/zinc/60/54/65/346605465.db2.gz DMDSPHLMHJTPKS-IPMKNSEASA-N 2 0 286.463 3.485 10 0 CGAERP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000629531486 350703713 /nfs/dbraw/zinc/70/37/13/350703713.db2.gz MWVJYJOZPRZIAW-NEPJUHHUSA-N 2 0 262.388 3.036 10 0 CGAERP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000127944109 370957956 /nfs/dbraw/zinc/95/79/56/370957956.db2.gz ZMWHNDIGYJWAKV-XJFOESAGSA-N 2 0 290.373 3.324 10 0 CGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422747955 371781287 /nfs/dbraw/zinc/78/12/87/371781287.db2.gz RHNCQOBEMKORDV-JZWPEALZSA-N 2 0 258.409 3.237 10 0 CGAERP CCc1nc(C)c(C[NH+]2CCC(C[NH+](CC)CC)CC2)o1 ZINC000428468857 372214570 /nfs/dbraw/zinc/21/45/70/372214570.db2.gz QQMVQQKKWNAQDV-UHFFFAOYSA-N 2 0 293.455 3.099 10 0 CGAERP C[C@@H]1C[N@@H+]([C@H]2CCCc3sccc32)C[C@@]1(C)C[NH3+] ZINC000310923409 374229795 /nfs/dbraw/zinc/22/97/95/374229795.db2.gz RQJVXIWODQLREI-OSAQELSMSA-N 2 0 264.438 3.042 10 0 CGAERP CC[NH+]1CCC(C[NH2+]CC2CCC(C)CC2)CC1 ZINC000089577003 541953751 /nfs/dbraw/zinc/95/37/51/541953751.db2.gz VVGVSNJENLDHLJ-UHFFFAOYSA-N 2 0 252.446 3.134 10 0 CGAERP Cc1[nH+]c2ccccc2c(N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000248446807 377321678 /nfs/dbraw/zinc/32/16/78/377321678.db2.gz HADKLSGTKQHPLQ-HNNXBMFYSA-N 2 0 281.403 3.136 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Br)cc1Cl ZINC000575440475 377912839 /nfs/dbraw/zinc/91/28/39/377912839.db2.gz XLWRJSCWTBEEAJ-NSHDSACASA-N 2 0 291.620 3.231 10 0 CGAERP CC[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000080428125 287065145 /nfs/dbraw/zinc/06/51/45/287065145.db2.gz IBSSFHLQUHDEEA-CHWSQXEVSA-N 2 0 252.446 3.464 10 0 CGAERP CCn1cccc1C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000091022433 165251214 /nfs/dbraw/zinc/25/12/14/165251214.db2.gz ATBFLOCOTIZKCD-HNNXBMFYSA-N 2 0 265.445 3.108 10 0 CGAERP CC(C)Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000094901333 165396858 /nfs/dbraw/zinc/39/68/58/165396858.db2.gz XPSFDSRIJJVDGP-HNNXBMFYSA-N 2 0 274.452 3.444 10 0 CGAERP [NH3+]CCCCCCCC[NH2+]CCCCCCCC[NH3+] ZINC000013742466 170585961 /nfs/dbraw/zinc/58/59/61/170585961.db2.gz ZWZITQBHEXYRNP-UHFFFAOYSA-N 3 0 271.493 3.175 10 0 CGAERP CC(C)C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccs2)C1 ZINC000071271068 176104173 /nfs/dbraw/zinc/10/41/73/176104173.db2.gz PRKYFWBFXNQUNE-GJZGRUSLSA-N 2 0 280.481 3.247 10 0 CGAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580541202 335250537 /nfs/dbraw/zinc/25/05/37/335250537.db2.gz NIERWRUOKGDLKO-UGUYLWEFSA-N 2 0 252.446 3.179 10 0 CGAERP CC[N@H+](Cc1cc(C[NH2+]C(C)C)oc1C)C1CC1 ZINC000052452258 521289682 /nfs/dbraw/zinc/28/96/82/521289682.db2.gz CELMJUSXCPLBOY-UHFFFAOYSA-N 2 0 250.386 3.070 10 0 CGAERP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000053012784 518762581 /nfs/dbraw/zinc/76/25/81/518762581.db2.gz GZOJSYSIGJAJCR-CYBMUJFWSA-N 2 0 266.454 3.001 10 0 CGAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+]1CCC[C@@H]1C ZINC000053860019 520025496 /nfs/dbraw/zinc/02/54/96/520025496.db2.gz OSDGBVTUQGFEAF-QKPAOTATSA-N 2 0 252.446 3.275 10 0 CGAERP CC[NH+](CC)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052378194 520744617 /nfs/dbraw/zinc/74/46/17/520744617.db2.gz RDXRKNRHRLNZRL-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CC[C@H](C)C[N@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052453959 523869853 /nfs/dbraw/zinc/86/98/53/523869853.db2.gz KMZVODRCDJDSCG-ZDUSSCGKSA-N 2 0 252.402 3.256 10 0 CGAERP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000052333426 525585889 /nfs/dbraw/zinc/58/58/89/525585889.db2.gz WJEIHRSDOSNSSD-HGTKMLMNSA-N 2 0 252.446 3.274 10 0 CGAERP Cc1oc(C[N@@H+](C)C2CCCCCC2)cc1C[NH3+] ZINC000052482045 526769816 /nfs/dbraw/zinc/76/98/16/526769816.db2.gz RHEDJSXHKDOBOF-UHFFFAOYSA-N 2 0 250.386 3.201 10 0 CGAERP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+](C)CC(C)(C)C ZINC000052570202 526774370 /nfs/dbraw/zinc/77/43/70/526774370.db2.gz CWLGTQOPLYECOH-UHFFFAOYSA-N 2 0 264.413 3.318 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423486757 527810400 /nfs/dbraw/zinc/81/04/00/527810400.db2.gz CDSFRNPXUFKFOG-LYYZXLFJSA-N 2 0 252.446 3.164 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C3CCCC3)[C@@H]2C1 ZINC000409430173 346605422 /nfs/dbraw/zinc/60/54/22/346605422.db2.gz LPZLQOCSUCFYQY-QRVBRYPASA-N 2 0 284.447 3.239 10 0 CGAERP CC1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629652735 350731539 /nfs/dbraw/zinc/73/15/39/350731539.db2.gz BLCYYEZXFVICJK-CLRIEMFWSA-N 2 0 292.389 3.272 10 0 CGAERP [NH3+]C1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000422855475 283412996 /nfs/dbraw/zinc/41/29/96/283412996.db2.gz VOIMSIOIJKPJFE-ZFDZMSFRSA-N 2 0 278.362 3.215 10 0 CGAERP CCc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301765166 201183748 /nfs/dbraw/zinc/18/37/48/201183748.db2.gz BDNDXPLEQXBBMY-UGSOOPFHSA-N 2 0 283.419 3.184 10 0 CGAERP CN(CC[NH+]1CCCCC1)c1cc[nH+]c2ccccc21 ZINC000013472649 368654795 /nfs/dbraw/zinc/65/47/95/368654795.db2.gz ZPRYWHQVVOHBQV-UHFFFAOYSA-N 2 0 269.392 3.157 10 0 CGAERP [NH3+]C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000036374375 369018140 /nfs/dbraw/zinc/01/81/40/369018140.db2.gz OUVZXDBUVYNERG-UHFFFAOYSA-N 2 0 266.388 3.137 10 0 CGAERP C[C@H](c1cc2ccccc2o1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312562917 249080632 /nfs/dbraw/zinc/08/06/32/249080632.db2.gz YOYYGZUXPLQEAE-PBFPGSCMSA-N 2 0 272.392 3.411 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000181375452 542218601 /nfs/dbraw/zinc/21/86/01/542218601.db2.gz PJBYIFWEWALINP-ZFWWWQNUSA-N 2 0 264.388 3.269 10 0 CGAERP [NH3+]CCC[C@H]([NH3+])c1c(Cl)ccc(Cl)c1Cl ZINC000575439936 377911344 /nfs/dbraw/zinc/91/13/44/377911344.db2.gz YCROBGQLLQXJBD-QMMMGPOBSA-N 2 0 267.587 3.386 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1cc(Br)ccc1Cl ZINC000575440481 377912378 /nfs/dbraw/zinc/91/23/78/377912378.db2.gz XSMBIDVRUYCMBQ-NSHDSACASA-N 2 0 291.620 3.231 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000647804462 392804539 /nfs/dbraw/zinc/80/45/39/392804539.db2.gz RKBHATGUFKQXKO-QNWHQSFQSA-N 2 0 278.362 3.085 10 0 CGAERP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191557 165031479 /nfs/dbraw/zinc/03/14/79/165031479.db2.gz AVQLRVIHOALEHU-WBVHZDCISA-N 2 0 260.425 3.314 10 0 CGAERP CCCn1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000091012667 165249567 /nfs/dbraw/zinc/24/95/67/165249567.db2.gz BVRGMSJEEIWEBY-INIZCTEOSA-N 2 0 277.456 3.110 10 0 CGAERP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC(C)CC2)cc1 ZINC000021818822 171333579 /nfs/dbraw/zinc/33/35/79/171333579.db2.gz WXSPSQAOJYYABQ-UHFFFAOYSA-N 2 0 260.425 3.334 10 0 CGAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2ccco2)CC1 ZINC000035738474 172391539 /nfs/dbraw/zinc/39/15/39/172391539.db2.gz HOSHXJWXUGXBTP-ZIAGYGMSSA-N 2 0 264.413 3.441 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000037221391 173040381 /nfs/dbraw/zinc/04/03/81/173040381.db2.gz HVJBSVGJLLNUGL-OLZOCXBDSA-N 2 0 264.388 3.207 10 0 CGAERP CC1(C)CC[C@H]2C[NH2+]CC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000076697664 177060969 /nfs/dbraw/zinc/06/09/69/177060969.db2.gz NKMRDGAVHXSOCS-JKSUJKDBSA-N 2 0 258.409 3.039 10 0 CGAERP CCC[NH2+][C@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810780 177102543 /nfs/dbraw/zinc/10/25/43/177102543.db2.gz BMJGFONSPWYNCG-GFCCVEGCSA-N 2 0 269.458 3.088 10 0 CGAERP CC(C)C1CCC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000381205283 336054817 /nfs/dbraw/zinc/05/48/17/336054817.db2.gz RABUQDFGWUACER-PRLABOORSA-N 2 0 252.446 3.118 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000052478563 519728224 /nfs/dbraw/zinc/72/82/24/519728224.db2.gz QGRBAIAWPJVDBM-CYBMUJFWSA-N 2 0 252.402 3.254 10 0 CGAERP CCCC1CC[NH+](C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052373863 519902068 /nfs/dbraw/zinc/90/20/68/519902068.db2.gz XRCLPWSYVIUSRX-OAHLLOKOSA-N 2 0 254.462 3.380 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC)[C@H](C)CC ZINC000052450976 519958768 /nfs/dbraw/zinc/95/87/68/519958768.db2.gz GIJBJIFXAUGEFN-CYBMUJFWSA-N 2 0 252.402 3.400 10 0 CGAERP CC[NH+](CC)CCOc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061699567 520698969 /nfs/dbraw/zinc/69/89/69/520698969.db2.gz HBVTVNGPRWKTRC-LLVKDONJSA-N 2 0 270.804 3.080 10 0 CGAERP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1C ZINC000052375756 522160174 /nfs/dbraw/zinc/16/01/74/522160174.db2.gz CURNAYKMKDSEDX-GFCCVEGCSA-N 2 0 258.365 3.137 10 0 CGAERP CC[C@@H]1CCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052375209 523269707 /nfs/dbraw/zinc/26/97/07/523269707.db2.gz DVIHRSYUGJRJGU-GFCCVEGCSA-N 2 0 258.365 3.266 10 0 CGAERP COCC[N@H+](CCCCC[NH2+]CC(C)C)CC(C)C ZINC000052508675 523693811 /nfs/dbraw/zinc/69/38/11/523693811.db2.gz LZODFLFVLBIXOY-UHFFFAOYSA-N 2 0 272.477 3.007 10 0 CGAERP C[C@@H](C[NH2+]C1CC1)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346314 524733018 /nfs/dbraw/zinc/73/30/18/524733018.db2.gz SQMDKXIMJDVZSW-LBPRGKRZSA-N 2 0 266.816 3.160 10 0 CGAERP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000052333429 525588937 /nfs/dbraw/zinc/58/89/37/525588937.db2.gz WJEIHRSDOSNSSD-ORIJERBGSA-N 2 0 252.446 3.274 10 0 CGAERP c1ccc([C@H]2CC[N@@H+](CCC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000052764747 526497440 /nfs/dbraw/zinc/49/74/40/526497440.db2.gz SBWGGFRSPRXBLX-IRXDYDNUSA-N 2 0 258.409 3.008 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423486758 527810269 /nfs/dbraw/zinc/81/02/69/527810269.db2.gz CDSFRNPXUFKFOG-OXGONZEZSA-N 2 0 252.446 3.164 10 0 CGAERP [NH3+]CC[C@@H]1CC[C@@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757240276 630591582 /nfs/dbraw/zinc/59/15/82/630591582.db2.gz VRHXFOLMQXWHAH-KWQFWETISA-N 2 0 260.353 3.075 10 0 CGAERP CC(C)([NH3+])C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000095937397 185034352 /nfs/dbraw/zinc/03/43/52/185034352.db2.gz HLPKFKYOYPUEAQ-UHFFFAOYSA-N 2 0 260.425 3.069 10 0 CGAERP c1ccc(C[N@@H+]2CCCCCC23CC[NH2+]CC3)cc1 ZINC000096884941 185119831 /nfs/dbraw/zinc/11/98/31/185119831.db2.gz HHWIZLQTZICATQ-UHFFFAOYSA-N 2 0 258.409 3.185 10 0 CGAERP [NH3+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000034412148 344938945 /nfs/dbraw/zinc/93/89/45/344938945.db2.gz MWDKHHOXZRUHED-UHFFFAOYSA-N 2 0 280.415 3.242 10 0 CGAERP CC[N@H+](CCCCCCC[NH3+])Cc1ccccc1OC ZINC000138542430 346096839 /nfs/dbraw/zinc/09/68/39/346096839.db2.gz SRKWUEKDJZCVJS-UHFFFAOYSA-N 2 0 278.440 3.426 10 0 CGAERP C#[N+]c1cc2c(c(-c3ccccc3C)c1)O[C@H](C[NH3+])C2 ZINC000166862906 346187576 /nfs/dbraw/zinc/18/75/76/346187576.db2.gz TWJYOACRUGRVEC-AWEZNQCLSA-N 2 0 264.328 3.475 10 0 CGAERP c1cc2c(s1)CC[NH2+]C21CCN(Cc2ccccc2)CC1 ZINC000306592532 346455578 /nfs/dbraw/zinc/45/55/78/346455578.db2.gz ZPCZJSRYTGPFFH-UHFFFAOYSA-N 2 0 298.455 3.385 10 0 CGAERP CC[NH2+]CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095091563 370173829 /nfs/dbraw/zinc/17/38/29/370173829.db2.gz WXQXLXNYGJNWFQ-KRWDZBQOSA-N 2 0 260.425 3.431 10 0 CGAERP Cc1cc(N[C@H](CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000312050800 374268192 /nfs/dbraw/zinc/26/81/92/374268192.db2.gz CAFGHXKUEWTKEB-MRXNPFEDSA-N 2 0 255.365 3.282 10 0 CGAERP CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000328364763 374362313 /nfs/dbraw/zinc/36/23/13/374362313.db2.gz QSWHCFFMSDHGPT-NEPJUHHUSA-N 2 0 284.350 3.033 10 0 CGAERP Clc1ccsc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000194482428 542276817 /nfs/dbraw/zinc/27/68/17/542276817.db2.gz DYUQGSLUKAPIFY-NSHDSACASA-N 2 0 281.812 3.263 10 0 CGAERP CCC[NH+]1CCC([NH2+][C@@H](C)COCc2ccccc2)CC1 ZINC000390594643 542611370 /nfs/dbraw/zinc/61/13/70/542611370.db2.gz RYDXFDOJMHAAKN-INIZCTEOSA-N 2 0 290.451 3.056 10 0 CGAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000080459477 287065808 /nfs/dbraw/zinc/06/58/08/287065808.db2.gz KUHSVLCJIUZNTL-BZUAXINKSA-N 2 0 252.446 3.277 10 0 CGAERP CCCC[NH+](CCCC)Cc1ccccc1C(N)=[NH2+] ZINC000020485686 171225568 /nfs/dbraw/zinc/22/55/68/171225568.db2.gz MNZGVNOQLWQXBJ-UHFFFAOYSA-N 2 0 261.413 3.373 10 0 CGAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220971 173039144 /nfs/dbraw/zinc/03/91/44/173039144.db2.gz OJZWZBOAEHGRMA-CJNGLKHVSA-N 2 0 264.457 3.275 10 0 CGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040621494 174354554 /nfs/dbraw/zinc/35/45/54/174354554.db2.gz XXDVICBOVYNAEF-GJZGRUSLSA-N 2 0 276.424 3.076 10 0 CGAERP CC(C)c1ccc([C@H](CC[NH3+])C[NH+]2CCCC2)cc1 ZINC000076671444 177053756 /nfs/dbraw/zinc/05/37/56/177053756.db2.gz YUKJCNWIFFJSHD-QGZVFWFLSA-N 2 0 260.425 3.338 10 0 CGAERP FC1(F)CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000261562464 279451764 /nfs/dbraw/zinc/45/17/64/279451764.db2.gz NYWWAZLBHKNRLZ-UKRRQHHQSA-N 2 0 286.410 3.276 10 0 CGAERP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250841117 304857339 /nfs/dbraw/zinc/85/73/39/304857339.db2.gz FMRUUYQZGZMWIM-MLHJIOFPSA-N 2 0 270.420 3.184 10 0 CGAERP CC(C)C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517415 519744314 /nfs/dbraw/zinc/74/43/14/519744314.db2.gz JFSQPSFWCPVKFR-GDBMZVCRSA-N 2 0 252.446 3.275 10 0 CGAERP CC(C)(C)[NH2+]CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050600633 518755569 /nfs/dbraw/zinc/75/55/69/518755569.db2.gz ICOLQVMECDGLIM-INIZCTEOSA-N 2 0 260.425 3.254 10 0 CGAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328757 519686695 /nfs/dbraw/zinc/68/66/95/519686695.db2.gz DEQSENIXUYHQAM-DZGCQCFKSA-N 2 0 278.465 3.445 10 0 CGAERP CC[NH2+]CCCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000052346210 519919230 /nfs/dbraw/zinc/91/92/30/519919230.db2.gz HYYCEZGUBPHZNO-UHFFFAOYSA-N 2 0 252.377 3.037 10 0 CGAERP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)C(C)C)o1 ZINC000052478442 519948929 /nfs/dbraw/zinc/94/89/29/519948929.db2.gz BISFVFFWMLISNH-CYBMUJFWSA-N 2 0 252.402 3.256 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000052373271 519959848 /nfs/dbraw/zinc/95/98/48/519959848.db2.gz MBBXCPMBIHSBKB-KGLIPLIRSA-N 2 0 264.413 3.400 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)CCC(C)C ZINC000052545823 519960446 /nfs/dbraw/zinc/96/04/46/519960446.db2.gz FREDIPMNLKJLTF-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC[NH2+]Cc1c2ccccc2oc1C[NH+](CC)CC ZINC000052378322 519985527 /nfs/dbraw/zinc/98/55/27/519985527.db2.gz IRMVPNDFJPUQSD-UHFFFAOYSA-N 2 0 260.381 3.384 10 0 CGAERP CCCC[N@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052417927 520421747 /nfs/dbraw/zinc/42/17/47/520421747.db2.gz KSQNYOJKZFGQCV-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP C[NH2+]Cc1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC000052456327 522117010 /nfs/dbraw/zinc/11/70/10/522117010.db2.gz XWYVZQPJGVLYSS-UHFFFAOYSA-N 2 0 260.406 3.100 10 0 CGAERP CC[C@H]1CCCC[N@@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052447537 523027564 /nfs/dbraw/zinc/02/75/64/523027564.db2.gz CVBQIWXWTRGBPQ-HNNXBMFYSA-N 2 0 262.397 3.296 10 0 CGAERP Cc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)oc1C[NH3+] ZINC000052346355 524661773 /nfs/dbraw/zinc/66/17/73/524661773.db2.gz UUGQTTWNUONFJS-UHFFFAOYSA-N 2 0 278.783 3.332 10 0 CGAERP [NH3+]C[C@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096897649 185125190 /nfs/dbraw/zinc/12/51/90/185125190.db2.gz AFQAAIPKLHYLDG-IRXDYDNUSA-N 2 0 258.409 3.028 10 0 CGAERP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C1CCCCC1 ZINC000096950667 185139750 /nfs/dbraw/zinc/13/97/50/185139750.db2.gz JCDHYLMUKNECNW-IRXDYDNUSA-N 2 0 258.409 3.169 10 0 CGAERP C#[N+]c1cc2c(c(-c3ccccc3C)c1)O[C@@H](C[NH3+])C2 ZINC000166862790 346187426 /nfs/dbraw/zinc/18/74/26/346187426.db2.gz TWJYOACRUGRVEC-CQSZACIVSA-N 2 0 264.328 3.475 10 0 CGAERP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000049856275 571984713 /nfs/dbraw/zinc/98/47/13/571984713.db2.gz FWKOHYURJKITQZ-QWHCGFSZSA-N 2 0 252.427 3.273 10 0 CGAERP [NH3+]CC1CCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000073738703 369864820 /nfs/dbraw/zinc/86/48/20/369864820.db2.gz JHVDJHBCMCAHCG-UHFFFAOYSA-N 2 0 275.783 3.063 10 0 CGAERP CC(C)[NH2+]CC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095088499 370171776 /nfs/dbraw/zinc/17/17/76/370171776.db2.gz XSPZPKNXRBNZAR-QGZVFWFLSA-N 2 0 260.425 3.287 10 0 CGAERP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422757772 371790353 /nfs/dbraw/zinc/79/03/53/371790353.db2.gz MWFIBJYJFPTGSM-KBPBESRZSA-N 2 0 260.425 3.144 10 0 CGAERP Cc1cc(N[C@@H](CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000312050799 374267902 /nfs/dbraw/zinc/26/79/02/374267902.db2.gz CAFGHXKUEWTKEB-INIZCTEOSA-N 2 0 255.365 3.282 10 0 CGAERP CCN1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901180 376375606 /nfs/dbraw/zinc/37/56/06/376375606.db2.gz QHZOKXFGHXUCNZ-DLBZAZTESA-N 2 0 258.409 3.212 10 0 CGAERP Cc1cc(Br)cc([C@H]([NH3+])CCCC[NH3+])c1F ZINC000575438896 377911233 /nfs/dbraw/zinc/91/12/33/377911233.db2.gz FSVXSWYXUBBYHE-LLVKDONJSA-N 2 0 289.192 3.025 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575438501 377911526 /nfs/dbraw/zinc/91/15/26/377911526.db2.gz LKNMHFYFFHXVDK-VIFPVBQESA-N 2 0 265.159 3.261 10 0 CGAERP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000389475483 379897780 /nfs/dbraw/zinc/89/77/80/379897780.db2.gz WBYSTZSBBUXULZ-JKIFEVAISA-N 2 0 258.409 3.309 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000400805044 392947118 /nfs/dbraw/zinc/94/71/18/392947118.db2.gz VWQBGOHKMXHLJH-GVXVVHGQSA-N 2 0 297.240 3.098 10 0 CGAERP C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CC[NH+](C)CC1 ZINC000037067541 397607789 /nfs/dbraw/zinc/60/77/89/397607789.db2.gz BKYHZOXGZASDKO-IPQZGBMFSA-N 2 0 276.468 3.131 10 0 CGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccco1 ZINC000020128630 171015259 /nfs/dbraw/zinc/01/52/59/171015259.db2.gz SQDRAQLUZJBLMT-ZDUSSCGKSA-N 2 0 258.365 3.192 10 0 CGAERP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128572 171015333 /nfs/dbraw/zinc/01/53/33/171015333.db2.gz CZLGLUVEMVJZJP-PBHICJAKSA-N 2 0 260.425 3.417 10 0 CGAERP CC[NH+](CC)Cc1ccc(C[NH2+]CCCSC)cc1 ZINC000020146492 171032444 /nfs/dbraw/zinc/03/24/44/171032444.db2.gz MNNDWZYFWSOBNY-UHFFFAOYSA-N 2 0 280.481 3.371 10 0 CGAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCC[NH+]1CCCCC1 ZINC000021800796 171325891 /nfs/dbraw/zinc/32/58/91/171325891.db2.gz IXVRAPMLWUDGIG-XYPWUTKMSA-N 2 0 252.446 3.277 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000037208595 173029951 /nfs/dbraw/zinc/02/99/51/173029951.db2.gz RGNCFWUDXCNDLB-CABCVRRESA-N 2 0 260.425 3.458 10 0 CGAERP Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301678329 274713865 /nfs/dbraw/zinc/71/38/65/274713865.db2.gz QYSSPMRIFOFRRL-GTNSWQLSSA-N 2 0 287.382 3.069 10 0 CGAERP F[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335399152 294730790 /nfs/dbraw/zinc/73/07/90/294730790.db2.gz MEHVWVFIQIXTPR-ZFWWWQNUSA-N 2 0 268.420 3.264 10 0 CGAERP CCC1CCC([N@H+](C)Cc2ccc(C[NH3+])o2)CC1 ZINC000052345572 519853422 /nfs/dbraw/zinc/85/34/22/519853422.db2.gz XPABBHWHAGMSDH-UHFFFAOYSA-N 2 0 250.386 3.139 10 0 CGAERP CCC[N@H+](CC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052448256 521612839 /nfs/dbraw/zinc/61/28/39/521612839.db2.gz RPXIEDGVKFHGFE-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CCC[NH+]1CCC([C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC000063152358 519847942 /nfs/dbraw/zinc/84/79/42/519847942.db2.gz BFYFRQIRSOTARE-ZDUSSCGKSA-N 2 0 266.454 3.348 10 0 CGAERP CCC[NH2+]C[C@H](C)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506515 519930261 /nfs/dbraw/zinc/93/02/61/519930261.db2.gz IPZAWKSRUJIUPY-STQMWFEESA-N 2 0 254.443 3.377 10 0 CGAERP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507993 519943178 /nfs/dbraw/zinc/94/31/78/519943178.db2.gz KGFJVYAUVZWPBY-GFCCVEGCSA-N 2 0 254.805 3.017 10 0 CGAERP CCCC[N@H+](Cc1cc(C[NH2+]CC)no1)[C@@H](C)CC ZINC000052372689 520543660 /nfs/dbraw/zinc/54/36/60/520543660.db2.gz BYRZZYKGRMGNCK-ZDUSSCGKSA-N 2 0 267.417 3.185 10 0 CGAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1(C2CCC2)CCC1 ZINC000459782662 536356944 /nfs/dbraw/zinc/35/69/44/536356944.db2.gz XVAYFTUHRVOAJH-HNNXBMFYSA-N 2 0 250.430 3.173 10 0 CGAERP CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052447995 523178678 /nfs/dbraw/zinc/17/86/78/523178678.db2.gz BNJMUYDUKKQMPV-CYBMUJFWSA-N 2 0 250.386 3.072 10 0 CGAERP C[C@H](C[NH2+]C1CC1)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346315 524479184 /nfs/dbraw/zinc/47/91/84/524479184.db2.gz SQMDKXIMJDVZSW-GFCCVEGCSA-N 2 0 266.816 3.160 10 0 CGAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062657637 525139089 /nfs/dbraw/zinc/13/90/89/525139089.db2.gz ZRVPEVMVVVXHMD-QGZVFWFLSA-N 2 0 260.425 3.205 10 0 CGAERP Cc1oc(C[NH3+])cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482316 526771323 /nfs/dbraw/zinc/77/13/23/526771323.db2.gz LDLMYRINFSWCJK-UONOGXRCSA-N 2 0 262.397 3.059 10 0 CGAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712035916 567836999 /nfs/dbraw/zinc/83/69/99/567836999.db2.gz WCPINLRJXVVSDQ-NPCAHTBFSA-N 2 0 252.446 3.403 10 0 CGAERP C[C@@H]1C[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C[C@@]1(C)C[NH3+] ZINC000311904789 572350109 /nfs/dbraw/zinc/35/01/09/572350109.db2.gz GKRBYKKMTYQISL-XFBWCDHKSA-N 2 0 278.827 3.244 10 0 CGAERP CC[NH+](CC)CCc1nc(C(C)(C)C)c(C[NH2+]C)s1 ZINC000082440844 178020241 /nfs/dbraw/zinc/02/02/41/178020241.db2.gz IJPGQWWXPVXPBX-UHFFFAOYSA-N 2 0 283.485 3.044 10 0 CGAERP Clc1ccc2c(c1)nccc2NC1CC[NH2+]CC1 ZINC000036473911 344944074 /nfs/dbraw/zinc/94/40/74/344944074.db2.gz NZOUCFSCCGQINP-UHFFFAOYSA-N 2 0 261.756 3.052 10 0 CGAERP CCCOc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231462921 346322921 /nfs/dbraw/zinc/32/29/21/346322921.db2.gz VPGHAPMYXICJII-MRXNPFEDSA-N 2 0 276.424 3.049 10 0 CGAERP CC(C)[C@@H](c1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104143583 185910832 /nfs/dbraw/zinc/91/08/32/185910832.db2.gz KBPUNKIEBBACGG-YOEHRIQHSA-N 2 0 260.425 3.443 10 0 CGAERP [NH3+]CCN1CCCCC[C@H]1c1cc2ccccc2cn1 ZINC000616624574 348849953 /nfs/dbraw/zinc/84/99/53/348849953.db2.gz BFOOISFFTXXFRH-KRWDZBQOSA-N 2 0 269.392 3.111 10 0 CGAERP CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c3ccccc23)C1 ZINC000040503188 369159398 /nfs/dbraw/zinc/15/93/98/369159398.db2.gz BFLLWTVJNNDUQI-CQSZACIVSA-N 2 0 269.392 3.439 10 0 CGAERP CCN1CCC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336890927 376020741 /nfs/dbraw/zinc/02/07/41/376020741.db2.gz HZJYTDDPPHXTDO-CABCVRRESA-N 2 0 250.430 3.173 10 0 CGAERP CSc1ccc([C@@H](C[NH3+])N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000216078233 376157219 /nfs/dbraw/zinc/15/72/19/376157219.db2.gz BGQBYQOTZWLJKW-DVOMOZLQSA-N 2 0 278.465 3.386 10 0 CGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000248388896 377303493 /nfs/dbraw/zinc/30/34/93/377303493.db2.gz AKCJIEKWGFMIIR-RYQLBKOJSA-N 2 0 270.420 3.039 10 0 CGAERP C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000562959000 377379455 /nfs/dbraw/zinc/37/94/55/377379455.db2.gz JOBIGGNRDARLNU-STQMWFEESA-N 2 0 266.454 3.003 10 0 CGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C1 ZINC000252439263 377621998 /nfs/dbraw/zinc/62/19/98/377621998.db2.gz MLADNOLBOGJIRM-VVLHAWIVSA-N 2 0 266.473 3.379 10 0 CGAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000400467027 392947969 /nfs/dbraw/zinc/94/79/69/392947969.db2.gz WIANLBOGIMMMJC-WHOFXGATSA-N 2 0 266.816 3.379 10 0 CGAERP CC[NH+](CC)CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161875 172022484 /nfs/dbraw/zinc/02/24/84/172022484.db2.gz XOANXUGNWVJFHS-UHFFFAOYSA-N 2 0 264.457 3.133 10 0 CGAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]C1C3CC4CC(C3)CC1C4)C2 ZINC000038019233 173995717 /nfs/dbraw/zinc/99/57/17/173995717.db2.gz WEEXKIBJYTXDSD-ZVRNJMPISA-N 2 0 288.479 3.274 10 0 CGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400719192 275748210 /nfs/dbraw/zinc/74/82/10/275748210.db2.gz OAJBJGPJHJGYBB-ZQIUZPCESA-N 2 0 260.425 3.459 10 0 CGAERP CC1CCC(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000089577929 276188621 /nfs/dbraw/zinc/18/86/21/276188621.db2.gz BOULRIBRRUDDKD-DQPZFDDXSA-N 2 0 264.457 3.277 10 0 CGAERP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400527104 280687594 /nfs/dbraw/zinc/68/75/94/280687594.db2.gz QLGZILXUKHLDSS-NFAWXSAZSA-N 2 0 276.424 3.189 10 0 CGAERP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381134464 327119900 /nfs/dbraw/zinc/11/99/00/327119900.db2.gz ACWMNEYDJPGIPR-LALPHHSUSA-N 2 0 266.816 3.318 10 0 CGAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@H](C)C(C)C)cc1C ZINC000052478698 520028223 /nfs/dbraw/zinc/02/82/23/520028223.db2.gz NSHHVFCVAQDARZ-CYBMUJFWSA-N 2 0 252.402 3.174 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC[NH2+]1 ZINC000423367269 533967116 /nfs/dbraw/zinc/96/71/16/533967116.db2.gz DIOFBSAZNTWZIS-TUVASFSCSA-N 2 0 252.446 3.321 10 0 CGAERP CC(C)C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)C1 ZINC000053012768 519746025 /nfs/dbraw/zinc/74/60/25/519746025.db2.gz FXRULAUKBRLZTI-ARFHVFGLSA-N 2 0 252.446 3.133 10 0 CGAERP CC(C)C[NH2+]Cc1nc(C[N@H+](C)[C@H](C)C(C)C)cs1 ZINC000052478332 519748370 /nfs/dbraw/zinc/74/83/70/519748370.db2.gz HLZWJOJMLAKIRK-CYBMUJFWSA-N 2 0 283.485 3.365 10 0 CGAERP CC[C@H](C1CCCCC1)[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C ZINC000052340513 522087464 /nfs/dbraw/zinc/08/74/64/522087464.db2.gz CAJCVZXMJJKSCO-CWRNSKLLSA-N 2 0 252.446 3.418 10 0 CGAERP C[C@H]1CC[N@H+](Cc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000052484363 524294741 /nfs/dbraw/zinc/29/47/41/524294741.db2.gz UVHZWPRRPOMODD-AWEZNQCLSA-N 2 0 260.425 3.417 10 0 CGAERP c1ccc(CC2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764305 526463834 /nfs/dbraw/zinc/46/38/34/526463834.db2.gz VATRTKOKLGIHHW-LJQANCHMSA-N 2 0 286.463 3.473 10 0 CGAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cscc2C(F)F)[NH2+]1 ZINC000757231324 630590424 /nfs/dbraw/zinc/59/04/24/630590424.db2.gz HLNHJBQISXSNIJ-FYBVGQRMSA-N 2 0 260.353 3.074 10 0 CGAERP C[NH+](C)CCC[C@@](C)(C[NH3+])c1cccc2ccccc21 ZINC000005064673 344861360 /nfs/dbraw/zinc/86/13/60/344861360.db2.gz BWJSHNPBNRZVEV-SFHVURJKSA-N 2 0 270.420 3.398 10 0 CGAERP [NH3+]CCC[NH2+]CCCn1c2ccccc2c2ccccc21 ZINC000034051232 344937297 /nfs/dbraw/zinc/93/72/97/344937297.db2.gz DJCSKJNSKLPSKG-UHFFFAOYSA-N 2 0 281.403 3.123 10 0 CGAERP C[NH+](C)CCC[N@@H+]1CCC2(C[C@H]3CCCC[C@@H]3C2)C1 ZINC000584652537 346705284 /nfs/dbraw/zinc/70/52/84/346705284.db2.gz OSQDHMIUMMPGLG-HZPDHXFCSA-N 2 0 264.457 3.230 10 0 CGAERP [NH3+]CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000011802580 368595802 /nfs/dbraw/zinc/59/58/02/368595802.db2.gz CWPVEKSQDXKMMW-GOSISDBHSA-N 2 0 266.388 3.135 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccs1)C1CC[NH+](C)CC1 ZINC000037221411 541863329 /nfs/dbraw/zinc/86/33/29/541863329.db2.gz LBQWYHXJIOCGTN-NEPJUHHUSA-N 2 0 252.427 3.129 10 0 CGAERP CN1CC[C@@H](C[NH2+]CC2CCCCC2)[C@@H]1c1cccnc1 ZINC000328649329 374372649 /nfs/dbraw/zinc/37/26/49/374372649.db2.gz UYVYPLSINKZESD-ROUUACIJSA-N 2 0 287.451 3.244 10 0 CGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000248388895 377303523 /nfs/dbraw/zinc/30/35/23/377303523.db2.gz AKCJIEKWGFMIIR-CGTJXYLNSA-N 2 0 270.420 3.039 10 0 CGAERP [NH3+]CCC[C@H]([NH3+])c1ccc(NCc2ccccc2)cc1 ZINC000575439519 377911177 /nfs/dbraw/zinc/91/11/77/377911177.db2.gz CSEKSLHWSRTIDV-KRWDZBQOSA-N 2 0 269.392 3.037 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575440022 377911428 /nfs/dbraw/zinc/91/14/28/377911428.db2.gz ZGJDTQGIEOXOBU-SECBINFHSA-N 2 0 265.159 3.261 10 0 CGAERP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000049127465 392035599 /nfs/dbraw/zinc/03/55/99/392035599.db2.gz CSBROVAMTVHZGK-INIZCTEOSA-N 2 0 261.413 3.075 10 0 CGAERP Cc1cc(N2CCC3(C2)CC[NH2+]CC3)c2ccccc2[nH+]1 ZINC000335302131 392788209 /nfs/dbraw/zinc/78/82/09/392788209.db2.gz VQELVGXKRKSMQD-UHFFFAOYSA-N 2 0 281.403 3.123 10 0 CGAERP CCCn1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000091009175 165249374 /nfs/dbraw/zinc/24/93/74/165249374.db2.gz CDZVIPFRPHDWAI-INIZCTEOSA-N 2 0 277.456 3.252 10 0 CGAERP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)cc1C ZINC000020226864 171091638 /nfs/dbraw/zinc/09/16/38/171091638.db2.gz VLEZSDSQHAZWEF-UHFFFAOYSA-N 2 0 260.425 3.397 10 0 CGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000037220006 173038001 /nfs/dbraw/zinc/03/80/01/173038001.db2.gz WKSOMWGZWGVZEJ-CHWSQXEVSA-N 2 0 264.388 3.207 10 0 CGAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC000037221013 173038890 /nfs/dbraw/zinc/03/88/90/173038890.db2.gz FLEMTKHOSABVNL-WBVHZDCISA-N 2 0 260.425 3.205 10 0 CGAERP [NH3+][C@@H](CCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000071401761 176153858 /nfs/dbraw/zinc/15/38/58/176153858.db2.gz OWVDASWDTBWOKP-KRWDZBQOSA-N 2 0 254.377 3.256 10 0 CGAERP C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000665284056 419104852 /nfs/dbraw/zinc/10/48/52/419104852.db2.gz ZNJYSSPUPPEMLW-CRYBEJKASA-N 2 0 264.457 3.323 10 0 CGAERP CC(C)=CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000662271924 419379134 /nfs/dbraw/zinc/37/91/34/419379134.db2.gz KDVFCRNIYWVACR-SJORKVTESA-N 2 0 258.409 3.017 10 0 CGAERP C(C1CCCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000089562519 260188028 /nfs/dbraw/zinc/18/80/28/260188028.db2.gz ZHXGLHUIQCJAAI-KRWDZBQOSA-N 2 0 264.457 3.421 10 0 CGAERP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000053030880 519745040 /nfs/dbraw/zinc/74/50/40/519745040.db2.gz MVCMSHSKZNUCRZ-HNNXBMFYSA-N 2 0 252.446 3.277 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)oc1C ZINC000052381247 519944073 /nfs/dbraw/zinc/94/40/73/519944073.db2.gz IZVLJWRQMOSENA-CYBMUJFWSA-N 2 0 264.413 3.320 10 0 CGAERP CCC[NH2+]Cc1nc(C[N@H+](CC)CC(C)C)cs1 ZINC000052449388 519964573 /nfs/dbraw/zinc/96/45/73/519964573.db2.gz VEYBPFRWIDGAOM-UHFFFAOYSA-N 2 0 269.458 3.121 10 0 CGAERP CCC[NH2+]Cc1occc1C[NH+](CCC)CCC ZINC000052416761 519973440 /nfs/dbraw/zinc/97/34/40/519973440.db2.gz DADQLRNVNLTOTA-UHFFFAOYSA-N 2 0 252.402 3.401 10 0 CGAERP CC[NH2+]Cc1occc1C[NH+]1CCC(CC)CC1 ZINC000052346981 520029868 /nfs/dbraw/zinc/02/98/68/520029868.db2.gz JFQLKIOHZBGYNA-UHFFFAOYSA-N 2 0 250.386 3.011 10 0 CGAERP CC[N@H+](C)Cc1c(C[NH2+]C)sc2cccc(F)c21 ZINC000052445916 520257297 /nfs/dbraw/zinc/25/72/97/520257297.db2.gz DYZSSAZPRSBVLU-UHFFFAOYSA-N 2 0 266.385 3.212 10 0 CGAERP CCC(CC)[N@H+](CCC[C@H]1CCCC[NH2+]1)CCOC ZINC000050953768 521551658 /nfs/dbraw/zinc/55/16/58/521551658.db2.gz JUAALLXDEPTWDW-OAHLLOKOSA-N 2 0 270.461 3.046 10 0 CGAERP CCC[N@H+](C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+])C1CC1 ZINC000054559791 521676579 /nfs/dbraw/zinc/67/65/79/521676579.db2.gz RBJQHKJJTVOAGA-YCPHGPKFSA-N 2 0 252.446 3.260 10 0 CGAERP C[NH+](C)Cc1c(C[NH2+]C2CC2)sc2cccc(F)c21 ZINC000052422660 521884998 /nfs/dbraw/zinc/88/49/98/521884998.db2.gz QBQFURYQWJZEEV-UHFFFAOYSA-N 2 0 278.396 3.354 10 0 CGAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050952642 522789047 /nfs/dbraw/zinc/78/90/47/522789047.db2.gz FECASUPMJOYREC-CYBMUJFWSA-N 2 0 252.427 3.102 10 0 CGAERP CC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052375398 523110822 /nfs/dbraw/zinc/11/08/22/523110822.db2.gz LJWPJLRNGNVCFG-KRWDZBQOSA-N 2 0 258.409 3.313 10 0 CGAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1cc2c(s1)CCC2 ZINC000052205794 523794269 /nfs/dbraw/zinc/79/42/69/523794269.db2.gz YFXAAZNESNVADX-CQSZACIVSA-N 2 0 278.465 3.201 10 0 CGAERP C[C@@H]1CC[N@H+](Cc2occc2C[NH2+]C(C)(C)C)C1 ZINC000052484378 524518568 /nfs/dbraw/zinc/51/85/68/524518568.db2.gz FOLVSRVRIAENOL-GFCCVEGCSA-N 2 0 250.386 3.010 10 0 CGAERP Cc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000062657640 525140307 /nfs/dbraw/zinc/14/03/07/525140307.db2.gz ZRVPEVMVVVXHMD-KRWDZBQOSA-N 2 0 260.425 3.205 10 0 CGAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513833 526769051 /nfs/dbraw/zinc/76/90/51/526769051.db2.gz LYGLSXJBKSISCR-SMDDNHRTSA-N 2 0 250.386 3.057 10 0 CGAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cscc2C(F)F)[NH2+]1 ZINC000757231347 630590487 /nfs/dbraw/zinc/59/04/87/630590487.db2.gz HLNHJBQISXSNIJ-SOCHQFKDSA-N 2 0 260.353 3.074 10 0 CGAERP c1cc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc[nH+]1 ZINC000034657748 344940982 /nfs/dbraw/zinc/94/09/82/344940982.db2.gz TVUJUUNBGRTGLD-UHFFFAOYSA-N 2 0 297.446 3.028 10 0 CGAERP Cc1cccc2c(NC[C@@H](C3CC3)[NH+](C)C)cc[nH+]c12 ZINC000091481822 345816756 /nfs/dbraw/zinc/81/67/56/345816756.db2.gz QEWCJOLDMHDIFV-INIZCTEOSA-N 2 0 269.392 3.295 10 0 CGAERP Cc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000358141755 233064358 /nfs/dbraw/zinc/06/43/58/233064358.db2.gz XFXKQXXMYOCDBH-LJQANCHMSA-N 2 0 295.430 3.279 10 0 CGAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839650 351150708 /nfs/dbraw/zinc/15/07/08/351150708.db2.gz JCCRRGRJPQWTKJ-CORIIIEPSA-N 2 0 266.816 3.318 10 0 CGAERP CC1CCC([NH+]2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000112716988 138365071 /nfs/dbraw/zinc/36/50/71/138365071.db2.gz SCENZGVMDAESNA-UHFFFAOYSA-N 2 0 250.430 3.029 10 0 CGAERP Clc1ccc2nccc(NC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073738708 369864536 /nfs/dbraw/zinc/86/45/36/369864536.db2.gz YFNUWHUSUMTORA-LLVKDONJSA-N 2 0 275.783 3.300 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400726564 296150981 /nfs/dbraw/zinc/15/09/81/296150981.db2.gz HVDIFGLAZXQFJZ-LOWVWBTDSA-N 2 0 297.240 3.098 10 0 CGAERP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000422939197 371881790 /nfs/dbraw/zinc/88/17/90/371881790.db2.gz HXXXFCPYJZDJAH-ZGVCCVRISA-N 2 0 250.411 3.072 10 0 CGAERP c1ccc(N[C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000163313790 372461503 /nfs/dbraw/zinc/46/15/03/372461503.db2.gz QPRNPNQEWGDJPJ-SFHVURJKSA-N 2 0 287.451 3.049 10 0 CGAERP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301648614 373794128 /nfs/dbraw/zinc/79/41/28/373794128.db2.gz DZYFXXLJGKXXEW-HNNXBMFYSA-N 2 0 283.419 3.464 10 0 CGAERP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000312627397 374286803 /nfs/dbraw/zinc/28/68/03/374286803.db2.gz BNYPYXRBCFPZOK-LUKYLMHMSA-N 2 0 272.436 3.342 10 0 CGAERP c1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000193462206 375881564 /nfs/dbraw/zinc/88/15/64/375881564.db2.gz CVPHMJXYUQCDBW-QGZVFWFLSA-N 2 0 258.409 3.309 10 0 CGAERP C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1n1ccnc1 ZINC000245574411 376861168 /nfs/dbraw/zinc/86/11/68/376861168.db2.gz HKCZWVHRBAMDFV-BLLLJJGKSA-N 2 0 291.345 3.244 10 0 CGAERP CCCC[C@H](CC)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248872396 377416232 /nfs/dbraw/zinc/41/62/32/377416232.db2.gz KPXJNLWTNCZJSE-IRXDYDNUSA-N 2 0 298.515 3.227 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400805042 379955103 /nfs/dbraw/zinc/95/51/03/379955103.db2.gz VWQBGOHKMXHLJH-DMDPSCGWSA-N 2 0 297.240 3.098 10 0 CGAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ncccc3C)C2)[nH+]1 ZINC000093175153 165326607 /nfs/dbraw/zinc/32/66/07/165326607.db2.gz NNFSXOZMNVJNIW-MRXNPFEDSA-N 2 0 296.418 3.027 10 0 CGAERP CCC[N@H+](CC1CC1)[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] ZINC000035452111 172204970 /nfs/dbraw/zinc/20/49/70/172204970.db2.gz FNWXPASDRQAZBC-FVQBIDKESA-N 2 0 252.446 3.262 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2ccco2)CC1 ZINC000035738479 172391836 /nfs/dbraw/zinc/39/18/36/172391836.db2.gz RTJDSOXOAWTGLT-QWHCGFSZSA-N 2 0 250.386 3.051 10 0 CGAERP C[C@@H]([NH2+]C1CCCCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209471 173030564 /nfs/dbraw/zinc/03/05/64/173030564.db2.gz MWHVLIMKMTXKIE-HUUCEWRRSA-N 2 0 252.446 3.419 10 0 CGAERP CCC[NH+]1CCC([C@H](C)[NH2+]Cc2cccs2)CC1 ZINC000037221144 173040704 /nfs/dbraw/zinc/04/07/04/173040704.db2.gz YDAXMFOGWNFVDQ-ZDUSSCGKSA-N 2 0 266.454 3.348 10 0 CGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071263504 176096585 /nfs/dbraw/zinc/09/65/85/176096585.db2.gz OVZJIQNGSLXPBI-MLGOLLRUSA-N 2 0 264.388 3.295 10 0 CGAERP CC1(C)CC[C@]2(CCC[NH2+]C2)[N@@H+]1Cc1ccccc1 ZINC000076697624 177060766 /nfs/dbraw/zinc/06/07/66/177060766.db2.gz DEWJJHBLKGFFRI-KRWDZBQOSA-N 2 0 258.409 3.183 10 0 CGAERP Cc1[nH+]ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000656609605 419186490 /nfs/dbraw/zinc/18/64/90/419186490.db2.gz RCAXOIMODYIZRO-AWEZNQCLSA-N 2 0 293.842 3.259 10 0 CGAERP Cc1[nH+]ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1Cl ZINC000656609218 419186792 /nfs/dbraw/zinc/18/67/92/419186792.db2.gz RHYGFNYLCVVAIU-AWEZNQCLSA-N 2 0 293.842 3.259 10 0 CGAERP CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000159036230 321828085 /nfs/dbraw/zinc/82/80/85/321828085.db2.gz HTRBJUIGKCWDTH-CABCVRRESA-N 2 0 278.440 3.322 10 0 CGAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000176474330 335285529 /nfs/dbraw/zinc/28/55/29/335285529.db2.gz JHKDSHIQFKPASH-INMHGKMJSA-N 2 0 260.425 3.108 10 0 CGAERP CCC1(CC)CC[NH+](CC2(C)CC[NH2+]CC2)CC1 ZINC000062959900 521687442 /nfs/dbraw/zinc/68/74/42/521687442.db2.gz URYPLFHWVKIWGM-UHFFFAOYSA-N 2 0 252.446 3.278 10 0 CGAERP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000053012783 518761228 /nfs/dbraw/zinc/76/12/28/518761228.db2.gz GZOJSYSIGJAJCR-ZDUSSCGKSA-N 2 0 266.454 3.001 10 0 CGAERP CCCC1CC[NH+](Cc2occc2C[NH2+]CC)CC1 ZINC000052373878 519902602 /nfs/dbraw/zinc/90/26/02/519902602.db2.gz YKXWJPOVIIZALF-UHFFFAOYSA-N 2 0 264.413 3.401 10 0 CGAERP CC[NH2+]CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000052370610 519919273 /nfs/dbraw/zinc/91/92/73/519919273.db2.gz DHGBMROAMZKLCH-UHFFFAOYSA-N 2 0 252.427 3.102 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@H+](CC(C)C)C(C)C)on1 ZINC000052572585 519944393 /nfs/dbraw/zinc/94/43/93/519944393.db2.gz DJJADFLFISGACP-UHFFFAOYSA-N 2 0 267.417 3.041 10 0 CGAERP CCO[C@@H]1CCC[N@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052372281 520320674 /nfs/dbraw/zinc/32/06/74/520320674.db2.gz PASCWXAKANBCIM-OAHLLOKOSA-N 2 0 270.461 3.046 10 0 CGAERP CCO[C@H](C[NH3+])CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062741289 520515661 /nfs/dbraw/zinc/51/56/61/520515661.db2.gz OTHFERHYNIMCEH-STQMWFEESA-N 2 0 284.831 3.087 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482254 522142743 /nfs/dbraw/zinc/14/27/43/522142743.db2.gz GKRHHBJSJKMHTM-DZGCQCFKSA-N 2 0 262.397 3.011 10 0 CGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCc2sccc21 ZINC000061330020 527146955 /nfs/dbraw/zinc/14/69/55/527146955.db2.gz RGOVQILFWJJZBQ-CMGMYYOESA-N 2 0 262.422 3.080 10 0 CGAERP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128973760 636106133 /nfs/dbraw/zinc/10/61/33/636106133.db2.gz BJSSQLOUZKJREE-OCCSQVGLSA-N 2 0 266.816 3.003 10 0 CGAERP [NH3+]C1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000096897658 185125864 /nfs/dbraw/zinc/12/58/64/185125864.db2.gz CICFVNKAHGENTM-UHFFFAOYSA-N 2 0 258.409 3.170 10 0 CGAERP C/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390920698 346575331 /nfs/dbraw/zinc/57/53/31/346575331.db2.gz XAUYOBMTRPPEFA-PYTYWGALSA-N 2 0 270.420 3.348 10 0 CGAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000123656231 138369341 /nfs/dbraw/zinc/36/93/41/138369341.db2.gz JHGYQLSMLKWZAD-HNNXBMFYSA-N 2 0 284.831 3.024 10 0 CGAERP Cc1ccc([C@H]([NH2+]CCC[NH3+])c2ccccc2)c(C)c1 ZINC000037713338 369100844 /nfs/dbraw/zinc/10/08/44/369100844.db2.gz MNQRATVUDTWTTP-GOSISDBHSA-N 2 0 268.404 3.331 10 0 CGAERP CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422757779 371790183 /nfs/dbraw/zinc/79/01/83/371790183.db2.gz MWFIBJYJFPTGSM-ZIAGYGMSSA-N 2 0 260.425 3.144 10 0 CGAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCCC1 ZINC000423215992 372036065 /nfs/dbraw/zinc/03/60/65/372036065.db2.gz PIIQJXXHQCZGFJ-NTQSIJHJSA-N 2 0 250.430 3.218 10 0 CGAERP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc[nH+]1 ZINC000162723827 372413747 /nfs/dbraw/zinc/41/37/47/372413747.db2.gz LIFMQNJEENXIKE-XJKSGUPXSA-N 2 0 261.413 3.312 10 0 CGAERP Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302446181 373869904 /nfs/dbraw/zinc/86/99/04/373869904.db2.gz MYMJUPGNTMGNNU-HNNXBMFYSA-N 2 0 269.392 3.322 10 0 CGAERP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335399150 375269481 /nfs/dbraw/zinc/26/94/81/375269481.db2.gz MEHVWVFIQIXTPR-HIFRSBDPSA-N 2 0 268.420 3.264 10 0 CGAERP Fc1ccc(F)c([C@H]2CCC[N@H+](CCn3ccnc3)C2)c1 ZINC000191675482 375651590 /nfs/dbraw/zinc/65/15/90/375651590.db2.gz GXNVDGNDBPLYCM-ZDUSSCGKSA-N 2 0 291.345 3.041 10 0 CGAERP CCC1CCC(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000562958369 377379923 /nfs/dbraw/zinc/37/99/23/377379923.db2.gz GSPZZCJAUINGGL-SLTXQBBLSA-N 2 0 252.446 3.181 10 0 CGAERP CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000250237514 377556992 /nfs/dbraw/zinc/55/69/92/377556992.db2.gz GXTWHXFSZHIVPV-RDTXWAMCSA-N 2 0 272.436 3.310 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400339340 379949394 /nfs/dbraw/zinc/94/93/94/379949394.db2.gz FDFSPPKPQOGXSG-IJEWVQPXSA-N 2 0 268.404 3.488 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400348270 379949772 /nfs/dbraw/zinc/94/97/72/379949772.db2.gz IPEUTFJZIDRVBP-GBJTYRQASA-N 2 0 252.446 3.179 10 0 CGAERP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400535267 379951794 /nfs/dbraw/zinc/95/17/94/379951794.db2.gz SYERMLXAQMWIMP-SQWLQELKSA-N 2 0 276.424 3.122 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401051254 379955129 /nfs/dbraw/zinc/95/51/29/379955129.db2.gz YFNYGZPQEGQRCB-TYENPDHQSA-N 2 0 278.484 3.425 10 0 CGAERP Cc1csc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163160057 392602472 /nfs/dbraw/zinc/60/24/72/392602472.db2.gz ILLTVRZIVUHDJX-CABCVRRESA-N 2 0 293.480 3.115 10 0 CGAERP CC[NH2+]CC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381613569 392911562 /nfs/dbraw/zinc/91/15/62/392911562.db2.gz JFMBLSZIENKHPM-CQSZACIVSA-N 2 0 274.399 3.133 10 0 CGAERP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128575 171015267 /nfs/dbraw/zinc/01/52/67/171015267.db2.gz CZLGLUVEMVJZJP-WMLDXEAASA-N 2 0 260.425 3.417 10 0 CGAERP CCC1CCC(C[N@@H+]2CCC[NH2+]C[C@H](C)C2)CC1 ZINC000045007884 175288799 /nfs/dbraw/zinc/28/87/99/175288799.db2.gz CTSLKGXTUFPWQJ-FHERZECASA-N 2 0 252.446 3.134 10 0 CGAERP CC[NH2+]CC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261558980 276264429 /nfs/dbraw/zinc/26/44/29/276264429.db2.gz ZHFXUKXYKPXXOG-AWEZNQCLSA-N 2 0 274.399 3.133 10 0 CGAERP CC[NH2+]Cc1coc(C[N@@H+]2CCCC[C@H]2CC)c1 ZINC000052447687 520017168 /nfs/dbraw/zinc/01/71/68/520017168.db2.gz MMZIYIHQQCLNQO-CQSZACIVSA-N 2 0 250.386 3.154 10 0 CGAERP CC(C)C[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000062657649 519270641 /nfs/dbraw/zinc/27/06/41/519270641.db2.gz FMOUQZCAVOXJHB-DOTOQJQBSA-N 2 0 260.425 3.458 10 0 CGAERP CC(C)C[NH2+]Cc1coc(C[N@H+](C)CC(C)C)c1 ZINC000052452730 519748594 /nfs/dbraw/zinc/74/85/94/519748594.db2.gz JKLFEKKPLNYPDS-UHFFFAOYSA-N 2 0 252.402 3.113 10 0 CGAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cccs1 ZINC000054628115 519911178 /nfs/dbraw/zinc/91/11/78/519911178.db2.gz CAJGOVPOWIHNSY-FUDCBSFHSA-N 2 0 264.438 3.414 10 0 CGAERP CCC[NH2+]CCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000052517375 519912222 /nfs/dbraw/zinc/91/22/22/519912222.db2.gz JFMNAXWXJNEYTF-INIZCTEOSA-N 2 0 252.446 3.421 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H]1CC ZINC000052374958 519960374 /nfs/dbraw/zinc/96/03/74/519960374.db2.gz ZGWOXBLVZJRPDA-CQSZACIVSA-N 2 0 250.386 3.154 10 0 CGAERP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)[C@H]1CCSC1 ZINC000052453469 523171807 /nfs/dbraw/zinc/17/18/07/523171807.db2.gz SKLAHPUQSHNYNZ-ZDUSSCGKSA-N 2 0 282.453 3.105 10 0 CGAERP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128973101 636106214 /nfs/dbraw/zinc/10/62/14/636106214.db2.gz BJSSQLOUZKJREE-GXTWGEPZSA-N 2 0 266.816 3.003 10 0 CGAERP CCC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1C1CC1 ZINC000082437346 178015306 /nfs/dbraw/zinc/01/53/06/178015306.db2.gz GYBIQVLINZZSMT-UHFFFAOYSA-N 2 0 295.496 3.404 10 0 CGAERP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000631834605 351149614 /nfs/dbraw/zinc/14/96/14/351149614.db2.gz BIYFRCJOFYBROT-CHWSQXEVSA-N 2 0 260.372 3.015 10 0 CGAERP Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000301678330 201133668 /nfs/dbraw/zinc/13/36/68/201133668.db2.gz QYSSPMRIFOFRRL-PIGZYNQJSA-N 2 0 287.382 3.069 10 0 CGAERP CC[N@H+](Cc1ccccc1)Cc1ccccc1C[NH3+] ZINC000034958035 368982853 /nfs/dbraw/zinc/98/28/53/368982853.db2.gz OAYHGWIYCUXGNE-UHFFFAOYSA-N 2 0 254.377 3.167 10 0 CGAERP C([C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCCC1 ZINC000178990486 373825622 /nfs/dbraw/zinc/82/56/22/373825622.db2.gz DPNAWKWCTWZJDG-OAHLLOKOSA-N 2 0 250.430 3.127 10 0 CGAERP C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000562958999 377378639 /nfs/dbraw/zinc/37/86/39/377378639.db2.gz JOBIGGNRDARLNU-QWHCGFSZSA-N 2 0 266.454 3.003 10 0 CGAERP CCN1CCC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000250237509 377557394 /nfs/dbraw/zinc/55/73/94/377557394.db2.gz GXTWHXFSZHIVPV-KDOFPFPSSA-N 2 0 272.436 3.310 10 0 CGAERP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000181422658 542218156 /nfs/dbraw/zinc/21/81/56/542218156.db2.gz XERYSADKMKRDSL-SWLSCSKDSA-N 2 0 266.816 3.475 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)cc1Br ZINC000575438782 377910957 /nfs/dbraw/zinc/91/09/57/377910957.db2.gz APIOEMCXDDWYQV-LLVKDONJSA-N 2 0 291.620 3.231 10 0 CGAERP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400535263 379950664 /nfs/dbraw/zinc/95/06/64/379950664.db2.gz SYERMLXAQMWIMP-OFQRWUPVSA-N 2 0 276.424 3.122 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000400473661 379951275 /nfs/dbraw/zinc/95/12/75/379951275.db2.gz YWRXRYFFRMCNHD-SUNYJGFJSA-N 2 0 272.436 3.214 10 0 CGAERP Clc1csc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000194482461 542276769 /nfs/dbraw/zinc/27/67/69/542276769.db2.gz XERDGBFGMGVWKW-LBPRGKRZSA-N 2 0 281.812 3.263 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392197934 542611893 /nfs/dbraw/zinc/61/18/93/542611893.db2.gz VMKPUJFSTSQGFJ-PVAVHDDUSA-N 2 0 264.457 3.299 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC(C)(C)C1 ZINC000423549443 393673509 /nfs/dbraw/zinc/67/35/09/393673509.db2.gz RZEYDLBONYOBBJ-LJIZCISZSA-N 2 0 264.457 3.179 10 0 CGAERP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000394678789 397696010 /nfs/dbraw/zinc/69/60/10/397696010.db2.gz XJFZQJZLXJXSCW-RBSFLKMASA-N 2 0 286.410 3.276 10 0 CGAERP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC)C2)CC1 ZINC000080456521 287065886 /nfs/dbraw/zinc/06/58/86/287065886.db2.gz UNDAGHQAWNSQGG-GOEBONIOSA-N 2 0 252.446 3.419 10 0 CGAERP CC1(C)CC([NH2+]CCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000020143154 171029369 /nfs/dbraw/zinc/02/93/69/171029369.db2.gz KKJDJILTKOLBAB-UHFFFAOYSA-N 2 0 260.425 3.128 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cccc(COC)c2)CC1 ZINC000038010672 173977923 /nfs/dbraw/zinc/97/79/23/173977923.db2.gz SCLQFBNBFWETSY-OAHLLOKOSA-N 2 0 290.451 3.043 10 0 CGAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657941396 419455633 /nfs/dbraw/zinc/45/56/33/419455633.db2.gz VERLHVPGLAEYQH-DOTOQJQBSA-N 2 0 292.492 3.382 10 0 CGAERP CC[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192850434 270078087 /nfs/dbraw/zinc/07/80/87/270078087.db2.gz WZYKBMNWTTZRLT-TZMCWYRMSA-N 2 0 281.469 3.004 10 0 CGAERP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755051 279195631 /nfs/dbraw/zinc/19/56/31/279195631.db2.gz WSVSWNVJNDSSPU-OIISXLGYSA-N 2 0 260.425 3.361 10 0 CGAERP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062668342 519414407 /nfs/dbraw/zinc/41/44/07/519414407.db2.gz GETHGXNSYGEBIN-SFHVURJKSA-N 2 0 274.452 3.329 10 0 CGAERP CC(C)C[C@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000062657653 519415203 /nfs/dbraw/zinc/41/52/03/519415203.db2.gz FMOUQZCAVOXJHB-RDJZCZTQSA-N 2 0 260.425 3.458 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[N@H+](C)[C@H](C)C(C)C ZINC000052478471 519730173 /nfs/dbraw/zinc/73/01/73/519730173.db2.gz RBMKINUAEMVUHI-CYBMUJFWSA-N 2 0 252.402 3.254 10 0 CGAERP CC[NH2+]Cc1nc(C[N@H+](CC(C)C)C(C)C)cs1 ZINC000052572472 520021990 /nfs/dbraw/zinc/02/19/90/520021990.db2.gz QUKSQPNOSQNBOK-UHFFFAOYSA-N 2 0 269.458 3.119 10 0 CGAERP CCCC[N@H+](Cc1cc(C[NH2+]CC)no1)[C@H](C)CC ZINC000052372690 520544503 /nfs/dbraw/zinc/54/45/03/520544503.db2.gz BYRZZYKGRMGNCK-CYBMUJFWSA-N 2 0 267.417 3.185 10 0 CGAERP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)C1CC1 ZINC000052452115 521289125 /nfs/dbraw/zinc/28/91/25/521289125.db2.gz NKMJVCBYVAQGTA-UHFFFAOYSA-N 2 0 250.386 3.152 10 0 CGAERP Cc1ccc([C@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602475 525884054 /nfs/dbraw/zinc/88/40/54/525884054.db2.gz IPHGOYJSCPVQCE-FUDCBSFHSA-N 2 0 264.438 3.462 10 0 CGAERP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C1CCCC1 ZINC000096950671 185139366 /nfs/dbraw/zinc/13/93/66/185139366.db2.gz HCVMPMSCFCCDMW-SJORKVTESA-N 2 0 258.409 3.169 10 0 CGAERP CC1CCC(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623657559 349860229 /nfs/dbraw/zinc/86/02/29/349860229.db2.gz ULAGQLNQXVCUSV-GPANFISMSA-N 2 0 252.446 3.134 10 0 CGAERP C[C@H]1CCNC2(CC[NH+](Cc3ccccc3)CC2)S1 ZINC000159181296 346166662 /nfs/dbraw/zinc/16/66/62/346166662.db2.gz ZEYPVRXITZOMKG-AWEZNQCLSA-N 2 0 276.449 3.094 10 0 CGAERP c1cc2c(cc1C1CC[NH2+]CC1)CC[N@H+](C1CCC1)CC2 ZINC000165542653 346184787 /nfs/dbraw/zinc/18/47/87/346184787.db2.gz KKOPZZJLEUEODL-UHFFFAOYSA-N 2 0 284.447 3.107 10 0 CGAERP c1cc2c(cc1C1CC[NH2+]CC1)CC[N@H+](C1CCCC1)CC2 ZINC000165544776 346185082 /nfs/dbraw/zinc/18/50/82/346185082.db2.gz OBNZXCOMIZCIJQ-UHFFFAOYSA-N 2 0 298.474 3.497 10 0 CGAERP CCC(CC)[C@@H]1[C@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409428261 346605012 /nfs/dbraw/zinc/60/50/12/346605012.db2.gz DMDSPHLMHJTPKS-CEXWTWQISA-N 2 0 286.463 3.485 10 0 CGAERP [NH3+]CCN1CCCCC[C@@H]1c1cnc2ccccc2c1 ZINC000616622991 348848971 /nfs/dbraw/zinc/84/89/71/348848971.db2.gz AZABIJZBNDGEDR-QGZVFWFLSA-N 2 0 269.392 3.111 10 0 CGAERP CCc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)o1 ZINC000122889256 187057707 /nfs/dbraw/zinc/05/77/07/187057707.db2.gz DLEARXPXWSGXTB-AWEZNQCLSA-N 2 0 287.407 3.438 10 0 CGAERP Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000092813113 370104200 /nfs/dbraw/zinc/10/42/00/370104200.db2.gz BKDDLWIGTZNJLH-HNNXBMFYSA-N 2 0 285.391 3.225 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000422709958 371763957 /nfs/dbraw/zinc/76/39/57/371763957.db2.gz LICKLYWLCWYBDR-JZWPEALZSA-N 2 0 258.409 3.237 10 0 CGAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309814442 374199785 /nfs/dbraw/zinc/19/97/85/374199785.db2.gz XLILZAXXWNGGPK-GYFISPQKSA-N 2 0 284.447 3.285 10 0 CGAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248402281 377308094 /nfs/dbraw/zinc/30/80/94/377308094.db2.gz NANMBGQONTXKOV-FTWQHDNSSA-N 2 0 284.447 3.285 10 0 CGAERP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562958657 377378377 /nfs/dbraw/zinc/37/83/77/377378377.db2.gz JRNOXTCSLCMJTO-JQFCIGGWSA-N 2 0 258.409 3.115 10 0 CGAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000397396309 542617633 /nfs/dbraw/zinc/61/76/33/542617633.db2.gz GMTZSNWUZKZVDR-RQJABVFESA-N 2 0 274.399 3.117 10 0 CGAERP C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CC[NH+](C)CC1 ZINC000037067543 397607734 /nfs/dbraw/zinc/60/77/34/397607734.db2.gz BKYHZOXGZASDKO-HKUAFEEUSA-N 2 0 276.468 3.131 10 0 CGAERP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000093465511 165329860 /nfs/dbraw/zinc/32/98/60/165329860.db2.gz BTTQLAVPBRNYPZ-AVGNSLFASA-N 2 0 252.427 3.319 10 0 CGAERP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+](C)C)cc1 ZINC000020128558 171015265 /nfs/dbraw/zinc/01/52/65/171015265.db2.gz YHPMLDDESFABSV-UHFFFAOYSA-N 2 0 268.404 3.346 10 0 CGAERP CCCN(CCC[NH3+])c1cc(C)[nH+]c2ccccc21 ZINC000035697567 172365965 /nfs/dbraw/zinc/36/59/65/172365965.db2.gz SZRLSMZIRGMEIX-UHFFFAOYSA-N 2 0 257.381 3.108 10 0 CGAERP CC(C)(C)[NH2+]CCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045086651 175304544 /nfs/dbraw/zinc/30/45/44/175304544.db2.gz QAZQQIPYYNQEHF-HNNXBMFYSA-N 2 0 252.446 3.419 10 0 CGAERP CCCc1ccc([C@H](C)[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071141787 176039554 /nfs/dbraw/zinc/03/95/54/176039554.db2.gz GYLDSHWJIQSDIQ-GOEBONIOSA-N 2 0 260.425 3.241 10 0 CGAERP CC[NH+](CC)Cc1c2ccccc2sc1C[NH2+]C ZINC000045206362 276109840 /nfs/dbraw/zinc/10/98/40/276109840.db2.gz VAYWGSNCVBSLQR-UHFFFAOYSA-N 2 0 262.422 3.463 10 0 CGAERP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC000168639726 278231784 /nfs/dbraw/zinc/23/17/84/278231784.db2.gz AASNBEBRRIPPTH-OKUQKKEKSA-N 2 0 276.468 3.262 10 0 CGAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3ccccc32)C1 ZINC000248663265 290240823 /nfs/dbraw/zinc/24/08/23/290240823.db2.gz JSBHADACAAQLIV-YOEHRIQHSA-N 2 0 281.403 3.155 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](C)C(CC)CC)c(C)o1 ZINC000052478229 519988708 /nfs/dbraw/zinc/98/87/08/519988708.db2.gz IGTLMGOAVKOIRK-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CC(C)C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012236 519746137 /nfs/dbraw/zinc/74/61/37/519746137.db2.gz UNAOSVMMKIKPFN-JKSUJKDBSA-N 2 0 260.425 3.315 10 0 CGAERP CCC1CCC([N@H+](C)CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764457 519853217 /nfs/dbraw/zinc/85/32/17/519853217.db2.gz CRTCCRQFFLUKRS-HWOWSKLDSA-N 2 0 252.446 3.419 10 0 CGAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000052479104 519972339 /nfs/dbraw/zinc/97/23/39/519972339.db2.gz HSCVAYQDBVCIQH-LBPRGKRZSA-N 2 0 250.386 3.010 10 0 CGAERP CCCCCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062668344 520078903 /nfs/dbraw/zinc/07/89/03/520078903.db2.gz PVKYMDNVXHPOFX-GOSISDBHSA-N 2 0 274.452 3.473 10 0 CGAERP CCCC[NH+](CCCC)Cc1csc(C[NH3+])n1 ZINC000052443586 520496890 /nfs/dbraw/zinc/49/68/90/520496890.db2.gz PPIFPSDQAMWDHI-UHFFFAOYSA-N 2 0 255.431 3.004 10 0 CGAERP CC[N@H+](Cc1ccco1)[C@@H](C)CCC[NH2+]C(C)C ZINC000052570624 521400932 /nfs/dbraw/zinc/40/09/32/521400932.db2.gz UVXCINYEAHFZBE-AWEZNQCLSA-N 2 0 252.402 3.268 10 0 CGAERP CC[N@@H+](Cc1cccs1)C[C@@H](C)C[NH2+]C(C)C ZINC000052546312 521408159 /nfs/dbraw/zinc/40/81/59/521408159.db2.gz AXBQUCGPYHPLNR-ZDUSSCGKSA-N 2 0 254.443 3.204 10 0 CGAERP C[NH2+]Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)oc1C ZINC000052546642 522102617 /nfs/dbraw/zinc/10/26/17/522102617.db2.gz FVOBXCIFWQHMPX-LRDDRELGSA-N 2 0 264.413 3.318 10 0 CGAERP C[C@H]1C[N@H+](CCCCC[NH2+]C(C)(C)C)CC(C)(C)O1 ZINC000052543580 524589709 /nfs/dbraw/zinc/58/97/09/524589709.db2.gz OHRAOMPHVSCLHO-AWEZNQCLSA-N 2 0 270.461 3.044 10 0 CGAERP Cc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052482559 524684290 /nfs/dbraw/zinc/68/42/90/524684290.db2.gz NLCYHPGGHJCDCH-ZFWWWQNUSA-N 2 0 262.397 3.201 10 0 CGAERP Cc1cc(C[NH2+]CCCC[N@@H+](C)C(C)C)ccc1F ZINC000050545731 524756020 /nfs/dbraw/zinc/75/60/20/524756020.db2.gz XZIRVDSPNPUSBJ-UHFFFAOYSA-N 2 0 266.404 3.344 10 0 CGAERP c1cc(C[NH2+]C2CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000052381837 526426628 /nfs/dbraw/zinc/42/66/28/526426628.db2.gz ZEEMABYNSUHMHV-UHFFFAOYSA-N 2 0 258.409 3.315 10 0 CGAERP Cc1oc(C[NH2+]CC(C)C)cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484677 526774655 /nfs/dbraw/zinc/77/46/55/526774655.db2.gz ROUNYMAQSFZLII-CYBMUJFWSA-N 2 0 264.413 3.175 10 0 CGAERP [NH3+][C@H]1CCC[C@H](C[NH+]2CCC3(CCCC3)CC2)C1 ZINC000062959977 527406055 /nfs/dbraw/zinc/40/60/55/527406055.db2.gz JLNDWFDGOKDMAG-GJZGRUSLSA-N 2 0 250.430 3.160 10 0 CGAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cscc2C(F)F)[NH2+]1 ZINC000757229865 630589671 /nfs/dbraw/zinc/58/96/71/630589671.db2.gz FHLVZZXMOMLWBQ-FNOROQBZSA-N 2 0 274.380 3.320 10 0 CGAERP CC(C)C[C@@H]1[C@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409429423 346605444 /nfs/dbraw/zinc/60/54/44/346605444.db2.gz JLLWWPICGWPLRQ-OKZBNKHCSA-N 2 0 272.436 3.095 10 0 CGAERP COc1ccc([C@@H](C)[NH2+][C@H]2CCCC23CC[NH2+]CC3)cc1 ZINC000584640474 346702846 /nfs/dbraw/zinc/70/28/46/346702846.db2.gz OUWQGAUCPPZFFD-PBHICJAKSA-N 2 0 288.435 3.268 10 0 CGAERP [NH3+]C1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000635004290 351622687 /nfs/dbraw/zinc/62/26/87/351622687.db2.gz NYXUFZZXIVQJJA-UHFFFAOYSA-N 2 0 278.343 3.126 10 0 CGAERP FC(F)(F)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000127914964 370957362 /nfs/dbraw/zinc/95/73/62/370957362.db2.gz IRLBTFNPHZSXST-NWINJMCUSA-N 2 0 290.373 3.324 10 0 CGAERP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000127915471 370957981 /nfs/dbraw/zinc/95/79/81/370957981.db2.gz IRLBTFNPHZSXST-CLRIEMFWSA-N 2 0 290.373 3.324 10 0 CGAERP [NH3+]CC1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095077545 370170751 /nfs/dbraw/zinc/17/07/51/370170751.db2.gz DCHSQZAZCAQVMS-UHFFFAOYSA-N 2 0 258.409 3.028 10 0 CGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000178290399 373762569 /nfs/dbraw/zinc/76/25/69/373762569.db2.gz MUJUFVJFPQAKFL-SFHVURJKSA-N 2 0 283.419 3.473 10 0 CGAERP CCC[C@H](C)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000251699602 377596215 /nfs/dbraw/zinc/59/62/15/377596215.db2.gz IYARSZSWQGSXPQ-WMZOPIPTSA-N 2 0 289.467 3.272 10 0 CGAERP [NH3+]CCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1Cl ZINC000575438481 377911520 /nfs/dbraw/zinc/91/15/20/377911520.db2.gz LBMNDRCAOJTVFK-VIFPVBQESA-N 2 0 267.587 3.386 10 0 CGAERP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603697 379466389 /nfs/dbraw/zinc/46/63/89/379466389.db2.gz LEMLFVYHFBSPEG-IPMKNSEASA-N 2 0 295.430 3.015 10 0 CGAERP CCN1CC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000389475485 379898258 /nfs/dbraw/zinc/89/82/58/379898258.db2.gz WBYSTZSBBUXULZ-ZQIUZPCESA-N 2 0 258.409 3.309 10 0 CGAERP CC(C)(C)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000079356337 287055650 /nfs/dbraw/zinc/05/56/50/287055650.db2.gz VNFBWJOBVVNKKH-HOCLYGCPSA-N 2 0 252.446 3.134 10 0 CGAERP CC[C@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000080428121 287065253 /nfs/dbraw/zinc/06/52/53/287065253.db2.gz IBSSFHLQUHDEEA-STQMWFEESA-N 2 0 252.446 3.464 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000020128666 171015153 /nfs/dbraw/zinc/01/51/53/171015153.db2.gz CBYJURFHSJLYMG-OAHLLOKOSA-N 2 0 258.409 3.194 10 0 CGAERP C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+](C)C)C1 ZINC000020128577 171015304 /nfs/dbraw/zinc/01/53/04/171015304.db2.gz KNVYDKDYZZTIMO-WMLDXEAASA-N 2 0 260.425 3.417 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]CCc1ccccc1 ZINC000020128580 171015352 /nfs/dbraw/zinc/01/53/52/171015352.db2.gz RSAFATRSWZTEDP-UHFFFAOYSA-N 2 0 268.404 3.081 10 0 CGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000037221392 173040106 /nfs/dbraw/zinc/04/01/06/173040106.db2.gz HVJBSVGJLLNUGL-CHWSQXEVSA-N 2 0 264.388 3.207 10 0 CGAERP C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000665264774 419096813 /nfs/dbraw/zinc/09/68/13/419096813.db2.gz IAWVESDKWROWNY-KOLCDFICSA-N 2 0 273.207 3.081 10 0 CGAERP C[C@@H]1CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000089611218 260189799 /nfs/dbraw/zinc/18/97/99/260189799.db2.gz ZPXCUJMFIGCELG-VYDXJSESSA-N 2 0 264.457 3.277 10 0 CGAERP CCC1CCC(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000562958366 289746446 /nfs/dbraw/zinc/74/64/46/289746446.db2.gz GSPZZCJAUINGGL-LMPOIIKSSA-N 2 0 252.446 3.181 10 0 CGAERP CC[NH2+]CCCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373127 519918953 /nfs/dbraw/zinc/91/89/53/519918953.db2.gz ULXJYFIYHZDWCE-QGZVFWFLSA-N 2 0 260.425 3.256 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](C)CCC(C)C)oc1C ZINC000052545829 519986376 /nfs/dbraw/zinc/98/63/76/519986376.db2.gz UYWWDAPBYOFBBD-UHFFFAOYSA-N 2 0 252.402 3.175 10 0 CGAERP CCC(CC)C[N@H+](CC)Cc1ccoc1C[NH2+]C ZINC000052540661 521520535 /nfs/dbraw/zinc/52/05/35/521520535.db2.gz WMHGADRJMAASPT-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381318 519730354 /nfs/dbraw/zinc/73/03/54/519730354.db2.gz CKADYKHNAFNDNK-CYBMUJFWSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554146 519821555 /nfs/dbraw/zinc/82/15/55/519821555.db2.gz OFIROSGVRQXBGK-OCCSQVGLSA-N 2 0 254.443 3.375 10 0 CGAERP CCCC1CC[NH+](Cc2ccc(C[NH2+]C)o2)CC1 ZINC000052373898 519902331 /nfs/dbraw/zinc/90/23/31/519902331.db2.gz QLZSTENJAQZZHD-UHFFFAOYSA-N 2 0 250.386 3.011 10 0 CGAERP CCC[NH2+]C[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011171 519937145 /nfs/dbraw/zinc/93/71/45/519937145.db2.gz RASNVGXHJGLKCA-OAHLLOKOSA-N 2 0 252.446 3.421 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC)CC(C)C ZINC000052449583 519958589 /nfs/dbraw/zinc/95/85/89/519958589.db2.gz LRQGXVCOCYFZQA-UHFFFAOYSA-N 2 0 252.402 3.257 10 0 CGAERP CC[NH2+]Cc1ccc(C[NH+]2CCCCCCC2)o1 ZINC000052424938 519995804 /nfs/dbraw/zinc/99/58/04/519995804.db2.gz NTMOJDFDCIRWOH-UHFFFAOYSA-N 2 0 250.386 3.155 10 0 CGAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052509100 521997322 /nfs/dbraw/zinc/99/73/22/521997322.db2.gz JGFYTEADOZJNMC-SNVBAGLBSA-N 2 0 260.834 3.221 10 0 CGAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545178 522000199 /nfs/dbraw/zinc/00/01/99/522000199.db2.gz RJQODAUSCDBJBT-LBPRGKRZSA-N 2 0 299.256 3.269 10 0 CGAERP CC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052447998 523027381 /nfs/dbraw/zinc/02/73/81/523027381.db2.gz BNJMUYDUKKQMPV-ZDUSSCGKSA-N 2 0 250.386 3.072 10 0 CGAERP CC[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052375317 523268730 /nfs/dbraw/zinc/26/87/30/523268730.db2.gz IKWNIAYNMAVFFL-QGZVFWFLSA-N 2 0 258.409 3.313 10 0 CGAERP C[C@@H](C1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197505 524336770 /nfs/dbraw/zinc/33/67/70/524336770.db2.gz LNFQZCZCWUYZEX-WMLDXEAASA-N 2 0 264.457 3.419 10 0 CGAERP Cc1cc(C[N@@H+](C)C2CCCCCC2)oc1C[NH3+] ZINC000052482070 524659753 /nfs/dbraw/zinc/65/97/53/524659753.db2.gz QCWIYXCFZAMMJS-UHFFFAOYSA-N 2 0 250.386 3.201 10 0 CGAERP C[C@@H]([NH3+])c1ccc(OCC[C@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000061699630 525028012 /nfs/dbraw/zinc/02/80/12/525028012.db2.gz ZHIYRLROHZXKBK-DGCLKSJQSA-N 2 0 282.815 3.223 10 0 CGAERP C[C@H]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206111 526260681 /nfs/dbraw/zinc/26/06/81/526260681.db2.gz UCZWZECWKLGNKD-JYJNAYRXSA-N 2 0 252.446 3.277 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423373706 527810678 /nfs/dbraw/zinc/81/06/78/527810678.db2.gz JJMJCIYFMNVXAX-YIDVYQOGSA-N 2 0 252.446 3.177 10 0 CGAERP CC(C)Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131759171 528649660 /nfs/dbraw/zinc/64/96/60/528649660.db2.gz CCOINQJASBKZKE-WMLDXEAASA-N 2 0 260.425 3.054 10 0 CGAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cscc2C(F)F)[NH2+]1 ZINC000757229868 630589724 /nfs/dbraw/zinc/58/97/24/630589724.db2.gz FHLVZZXMOMLWBQ-HAYRHPOISA-N 2 0 274.380 3.320 10 0 CGAERP C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235370729 346335066 /nfs/dbraw/zinc/33/50/66/346335066.db2.gz NEWLVGXTOPQDQS-XNJGSVPQSA-N 2 0 254.377 3.180 10 0 CGAERP [NH3+]C1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000629551518 350711951 /nfs/dbraw/zinc/71/19/51/350711951.db2.gz UXJCKVLOBPPBTF-UHFFFAOYSA-N 2 0 278.343 3.126 10 0 CGAERP c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246982771 377131313 /nfs/dbraw/zinc/13/13/13/377131313.db2.gz VYGRODUMUMAURC-FUHWJXTLSA-N 2 0 270.420 3.135 10 0 CGAERP CC(C)(CC[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000258698464 377798192 /nfs/dbraw/zinc/79/81/92/377798192.db2.gz BZGWZQDNOMXQLH-UHFFFAOYSA-N 2 0 261.196 3.210 10 0 CGAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000575438323 377909828 /nfs/dbraw/zinc/90/98/28/377909828.db2.gz HJLSWGOXOUKTON-QGZVFWFLSA-N 2 0 270.376 3.004 10 0 CGAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000414789888 380406819 /nfs/dbraw/zinc/40/68/19/380406819.db2.gz FZMAAVQYTFYFER-BXKDBHETSA-N 2 0 273.207 3.210 10 0 CGAERP Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000301678328 392596924 /nfs/dbraw/zinc/59/69/24/392596924.db2.gz QYSSPMRIFOFRRL-DIFFPNOSSA-N 2 0 287.382 3.069 10 0 CGAERP C1[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000335334163 392789857 /nfs/dbraw/zinc/78/98/57/392789857.db2.gz XNQLWWSFRWMGID-INIZCTEOSA-N 2 0 262.441 3.316 10 0 CGAERP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC)C2)CC1 ZINC000080456531 287065706 /nfs/dbraw/zinc/06/57/06/287065706.db2.gz UNDAGHQAWNSQGG-ZBFHGGJFSA-N 2 0 252.446 3.419 10 0 CGAERP C[N@H+](Cc1ccc(C(C)(C)C)cc1)CC(C)(C)C[NH3+] ZINC000093873087 165339516 /nfs/dbraw/zinc/33/95/16/165339516.db2.gz HDNGCXSWNRVHHQ-UHFFFAOYSA-N 2 0 262.441 3.401 10 0 CGAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037220251 173037995 /nfs/dbraw/zinc/03/79/95/173037995.db2.gz XUBWQERLBSKCQB-UKRRQHHQSA-N 2 0 280.843 3.202 10 0 CGAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000038030849 174023930 /nfs/dbraw/zinc/02/39/30/174023930.db2.gz PWFQXBVVWKJZCI-CQSZACIVSA-N 2 0 286.444 3.456 10 0 CGAERP c1ccc(C[NH2+]CC2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000062943800 175678139 /nfs/dbraw/zinc/67/81/39/175678139.db2.gz VTWWOMAPXUTMCE-UHFFFAOYSA-N 2 0 280.415 3.098 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](C)C[C@@H](C)CC)c(C)o1 ZINC000052454392 519987376 /nfs/dbraw/zinc/98/73/76/519987376.db2.gz AZUGPTQYTOIURC-LBPRGKRZSA-N 2 0 252.402 3.175 10 0 CGAERP CCC(CC)[N@H+](C)Cc1occc1C[NH2+]C1CC1 ZINC000052478035 521543819 /nfs/dbraw/zinc/54/38/19/521543819.db2.gz WZCAFIOMXXBEEH-UHFFFAOYSA-N 2 0 250.386 3.152 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCCC[C@H]1C ZINC000052378749 519730150 /nfs/dbraw/zinc/73/01/50/519730150.db2.gz YCUIXHOKWRPPNI-CYBMUJFWSA-N 2 0 250.386 3.152 10 0 CGAERP CC(C)C[NH2+]Cc1c2ccccc2oc1C[NH+](C)C ZINC000052422824 519746603 /nfs/dbraw/zinc/74/66/03/519746603.db2.gz LXCURQLFSPFIRD-UHFFFAOYSA-N 2 0 260.381 3.240 10 0 CGAERP CC[NH2+]CCCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373126 519919340 /nfs/dbraw/zinc/91/93/40/519919340.db2.gz ULXJYFIYHZDWCE-KRWDZBQOSA-N 2 0 260.425 3.256 10 0 CGAERP CCC[NH2+]Cc1nc(C[N@H+](CC)[C@H](C)CC)cs1 ZINC000052450726 519964532 /nfs/dbraw/zinc/96/45/32/519964532.db2.gz YCIPWNPDDFLKGZ-GFCCVEGCSA-N 2 0 269.458 3.263 10 0 CGAERP CC[NH2+]Cc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c1 ZINC000052509869 520003700 /nfs/dbraw/zinc/00/37/00/520003700.db2.gz GTIMZQRJZHWHIV-GJZGRUSLSA-N 2 0 260.425 3.417 10 0 CGAERP CC[N@@H+](Cc1ccccc1C[NH2+]C1CC1)CC(C)C ZINC000052449945 521380119 /nfs/dbraw/zinc/38/01/19/521380119.db2.gz XVHXYWSESJCCDO-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP CC[N@H+](Cc1cccs1)[C@H](C)CCC[NH2+]C1CC1 ZINC000052546401 521410432 /nfs/dbraw/zinc/41/04/32/521410432.db2.gz FZYSLWCUDRPAHN-CYBMUJFWSA-N 2 0 266.454 3.491 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000052517498 522143420 /nfs/dbraw/zinc/14/34/20/522143420.db2.gz OQTFQRFZWFBHBM-HNNXBMFYSA-N 2 0 262.397 3.154 10 0 CGAERP CC[C@H]1CCC[N@@H+]1Cc1oc2ccccc2c1C[NH3+] ZINC000052375211 523111702 /nfs/dbraw/zinc/11/17/02/523111702.db2.gz DVIHRSYUGJRJGU-LBPRGKRZSA-N 2 0 258.365 3.266 10 0 CGAERP C[C@H]1CCC[C@H]([N@H+](C)CCCCC[NH2+]C2CC2)C1 ZINC000052514021 524201784 /nfs/dbraw/zinc/20/17/84/524201784.db2.gz VDRBDXLYKBZWGM-HOCLYGCPSA-N 2 0 252.446 3.419 10 0 CGAERP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(C)c1 ZINC000111380850 524261150 /nfs/dbraw/zinc/26/11/50/524261150.db2.gz MUYTYMWYMBOJOA-MRXNPFEDSA-N 2 0 260.425 3.315 10 0 CGAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000052546837 524458546 /nfs/dbraw/zinc/45/85/46/524458546.db2.gz RMLCFCBIWYJKPJ-YCPHGPKFSA-N 2 0 252.446 3.418 10 0 CGAERP Cc1ccccc1C[N@H+](C)CCC[C@H]1CCCC[NH2+]1 ZINC000050953039 525128910 /nfs/dbraw/zinc/12/89/10/525128910.db2.gz FVIPCJWXRUADHJ-QGZVFWFLSA-N 2 0 260.425 3.349 10 0 CGAERP C[C@@H](c1cccs1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602025 526147231 /nfs/dbraw/zinc/14/72/31/526147231.db2.gz DEAPIKSRAWTHMQ-WODVXLOZSA-N 2 0 250.411 3.153 10 0 CGAERP C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)[C@@H]1CC[NH3+] ZINC000404374388 572330900 /nfs/dbraw/zinc/33/09/00/572330900.db2.gz RSAJFKOHTXZSIU-MGPQQGTHSA-N 2 0 274.399 3.261 10 0 CGAERP [NH3+]CCC[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000034221227 344938665 /nfs/dbraw/zinc/93/86/65/344938665.db2.gz BBWBICPCWYPQCF-UHFFFAOYSA-N 2 0 294.442 3.417 10 0 CGAERP C[NH+](C)CCCCc1ccc(CCCC[NH+](C)C)cc1 ZINC000034516307 344940325 /nfs/dbraw/zinc/94/03/25/344940325.db2.gz JLRWUCIHUUIZKN-UHFFFAOYSA-N 2 0 276.468 3.455 10 0 CGAERP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]3C2)cc1 ZINC000307456240 346462722 /nfs/dbraw/zinc/46/27/22/346462722.db2.gz FJSOKVFGKFUZEU-ZWKOTPCHSA-N 2 0 284.447 3.383 10 0 CGAERP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC)C2)cc1 ZINC000389450584 346572806 /nfs/dbraw/zinc/57/28/06/346572806.db2.gz QCZCMVLUJMFCHH-GDBMZVCRSA-N 2 0 276.424 3.220 10 0 CGAERP [NH3+]CCN1CCCCC[C@H]1c1ccc2ccccc2n1 ZINC000616624850 348850202 /nfs/dbraw/zinc/85/02/02/348850202.db2.gz HQHRUBGXYPAROT-KRWDZBQOSA-N 2 0 269.392 3.111 10 0 CGAERP COC1CC[NH+](CCNc2cc[nH+]c3c(C)cccc23)CC1 ZINC000301666817 201125467 /nfs/dbraw/zinc/12/54/67/201125467.db2.gz MBVYWSKGNSCYSK-UHFFFAOYSA-N 2 0 299.418 3.066 10 0 CGAERP c1ccc(C[NH+]2CCC(CCC[NH2+]C3CC3)CC2)cc1 ZINC000095082659 370172562 /nfs/dbraw/zinc/17/25/62/370172562.db2.gz UHIMUWRGDQNGIH-UHFFFAOYSA-N 2 0 272.436 3.431 10 0 CGAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000188649122 375246176 /nfs/dbraw/zinc/24/61/76/375246176.db2.gz YNFAUAFNSSGOFE-QGZVFWFLSA-N 2 0 289.467 3.272 10 0 CGAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000188649144 375246549 /nfs/dbraw/zinc/24/65/49/375246549.db2.gz YNFAUAFNSSGOFE-KRWDZBQOSA-N 2 0 289.467 3.272 10 0 CGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)[nH+]1 ZINC000246371982 377018005 /nfs/dbraw/zinc/01/80/05/377018005.db2.gz OAPNGRHORXAJJR-HZPDHXFCSA-N 2 0 296.418 3.280 10 0 CGAERP C[C@@H]1C[C@H](N[C@H]2CC(C)(C)Oc3ccccc32)CC[N@@H+]1C ZINC000247949989 377246767 /nfs/dbraw/zinc/24/67/67/377246767.db2.gz DXFZCXLLOGXSRX-FMKPAKJESA-N 2 0 288.435 3.361 10 0 CGAERP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958991 377379948 /nfs/dbraw/zinc/37/99/48/377379948.db2.gz IUAIYCWSNSESDB-OIISXLGYSA-N 2 0 260.425 3.361 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400348272 379949412 /nfs/dbraw/zinc/94/94/12/379949412.db2.gz IPEUTFJZIDRVBP-ZQDZILKHSA-N 2 0 252.446 3.179 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400726553 379953609 /nfs/dbraw/zinc/95/36/09/379953609.db2.gz HVDIFGLAZXQFJZ-DMDPSCGWSA-N 2 0 297.240 3.098 10 0 CGAERP Cc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc[nH+]c12 ZINC000301673001 392596852 /nfs/dbraw/zinc/59/68/52/392596852.db2.gz OQKVZAFCJDBVJK-CABCVRRESA-N 2 0 281.403 3.216 10 0 CGAERP C[NH2+]CCC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381700494 392913039 /nfs/dbraw/zinc/91/30/39/392913039.db2.gz ORYCJJQZMMLBLQ-CQSZACIVSA-N 2 0 274.399 3.133 10 0 CGAERP [NH3+]Cc1ccc(F)c(C[NH+]2CCCCCCC2)c1 ZINC000020265080 171121474 /nfs/dbraw/zinc/12/14/74/171121474.db2.gz ZYZYAEISJLEKCY-UHFFFAOYSA-N 2 0 250.361 3.051 10 0 CGAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580541203 335250382 /nfs/dbraw/zinc/25/03/82/335250382.db2.gz NIERWRUOKGDLKO-VGWMRTNUSA-N 2 0 252.446 3.179 10 0 CGAERP CC(C)[N@@H+](Cc1cccs1)C[C@@H](C)C[NH2+]C1CC1 ZINC000052544951 519661603 /nfs/dbraw/zinc/66/16/03/519661603.db2.gz XTDNTKUNZXFDGR-ZDUSSCGKSA-N 2 0 266.454 3.347 10 0 CGAERP C1C[NH2+][C@H](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000063197719 518580554 /nfs/dbraw/zinc/58/05/54/518580554.db2.gz MJXKDYCFMVLLMN-INIZCTEOSA-N 2 0 250.430 3.173 10 0 CGAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)o1 ZINC000052373296 519994999 /nfs/dbraw/zinc/99/49/99/519994999.db2.gz QSICQUSWHXYKJY-STQMWFEESA-N 2 0 250.386 3.010 10 0 CGAERP CCCCC[N@H+](Cc1occc1C[NH2+]C)C(C)C ZINC000052544761 520177752 /nfs/dbraw/zinc/17/77/52/520177752.db2.gz HQENKSDRPVOVPL-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CCCC[N@H+](CC)Cc1cc(C[NH2+]C2CC2)co1 ZINC000052418799 520478784 /nfs/dbraw/zinc/47/87/84/520478784.db2.gz XVZNVKDAEDDSAV-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP CC[N@H+](Cc1oc2ccccc2c1C[NH2+]C)C(C)C ZINC000052446950 521469857 /nfs/dbraw/zinc/46/98/57/521469857.db2.gz XCJAJCDWWUIDKO-UHFFFAOYSA-N 2 0 260.381 3.383 10 0 CGAERP CCC1(C)CC[NH+](Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000062957759 521678358 /nfs/dbraw/zinc/67/83/58/521678358.db2.gz RQVNHEJRPQLUJJ-UHFFFAOYSA-N 2 0 250.386 3.059 10 0 CGAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)C1CCC(C)CC1 ZINC000052345407 526768434 /nfs/dbraw/zinc/76/84/34/526768434.db2.gz JZOZGBNEGDNYEE-UHFFFAOYSA-N 2 0 250.386 3.057 10 0 CGAERP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133707604 346078687 /nfs/dbraw/zinc/07/86/87/346078687.db2.gz XBHYNUJWBIQWND-GJZGRUSLSA-N 2 0 276.424 3.267 10 0 CGAERP C[NH+](C)CCC[N@@H+]1CCC2(C[C@@H]3CCCC[C@H]3C2)C1 ZINC000584652535 346704965 /nfs/dbraw/zinc/70/49/65/346704965.db2.gz OSQDHMIUMMPGLG-HOTGVXAUSA-N 2 0 264.457 3.230 10 0 CGAERP Cc1cccc2c(NC[C@@H](C)[N@@H+]3CCOC[C@@H]3C)cc[nH+]c12 ZINC000301688140 201140647 /nfs/dbraw/zinc/14/06/47/201140647.db2.gz VIJRUQYQLGASAJ-CABCVRRESA-N 2 0 299.418 3.064 10 0 CGAERP C([C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCCCCC1 ZINC000178990477 373825507 /nfs/dbraw/zinc/82/55/07/373825507.db2.gz DPNAWKWCTWZJDG-HNNXBMFYSA-N 2 0 250.430 3.127 10 0 CGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522017 376841706 /nfs/dbraw/zinc/84/17/06/376841706.db2.gz LHHROMZZNUGNMK-FUHWJXTLSA-N 2 0 290.426 3.174 10 0 CGAERP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1n1ccnc1 ZINC000245574413 376860945 /nfs/dbraw/zinc/86/09/45/376860945.db2.gz HKCZWVHRBAMDFV-MLGOLLRUSA-N 2 0 291.345 3.244 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000575438420 377910136 /nfs/dbraw/zinc/91/01/36/377910136.db2.gz KNQPDOVKKGYESP-QGZVFWFLSA-N 2 0 284.403 3.394 10 0 CGAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399446 379949742 /nfs/dbraw/zinc/94/97/42/379949742.db2.gz KDKVUSHLAZEVQZ-WHOFXGATSA-N 2 0 266.816 3.379 10 0 CGAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ncccc3C)C2)[nH+]1 ZINC000093175155 165327097 /nfs/dbraw/zinc/32/70/97/165327097.db2.gz NNFSXOZMNVJNIW-INIZCTEOSA-N 2 0 296.418 3.027 10 0 CGAERP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128573 171015565 /nfs/dbraw/zinc/01/55/65/171015565.db2.gz CZLGLUVEMVJZJP-YOEHRIQHSA-N 2 0 260.425 3.417 10 0 CGAERP CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000035662053 172340672 /nfs/dbraw/zinc/34/06/72/172340672.db2.gz REURHVAGIJZGRR-UHFFFAOYSA-N 2 0 291.222 3.043 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000037220004 173038425 /nfs/dbraw/zinc/03/84/25/173038425.db2.gz WKSOMWGZWGVZEJ-QWHCGFSZSA-N 2 0 264.388 3.207 10 0 CGAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000385968796 336163567 /nfs/dbraw/zinc/16/35/67/336163567.db2.gz GLURQKLFVSYAJJ-IKWCTNDRSA-N 2 0 278.362 3.228 10 0 CGAERP CC(C)[NH2+]C[C@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482239 519724463 /nfs/dbraw/zinc/72/44/63/519724463.db2.gz UFKIULDKSDEJIN-HRCADAONSA-N 2 0 252.446 3.133 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000052381472 519728479 /nfs/dbraw/zinc/72/84/79/519728479.db2.gz NXHYUNWPGKUMQR-CYBMUJFWSA-N 2 0 250.386 3.010 10 0 CGAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCCCC2)oc1C ZINC000052419284 522103874 /nfs/dbraw/zinc/10/38/74/522103874.db2.gz GOTUZSABPYLBFW-UHFFFAOYSA-N 2 0 250.386 3.072 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000052381283 519747040 /nfs/dbraw/zinc/74/70/40/519747040.db2.gz CFLUKXLWINYYQI-AWEZNQCLSA-N 2 0 264.413 3.257 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000062730334 519747315 /nfs/dbraw/zinc/74/73/15/519747315.db2.gz OEGSGBZSDBWPRL-UHFFFAOYSA-N 2 0 284.831 3.026 10 0 CGAERP CC[NH2+]Cc1occc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504397 520029652 /nfs/dbraw/zinc/02/96/52/520029652.db2.gz BKOSGZKDKRKKQQ-GFCCVEGCSA-N 2 0 252.402 3.256 10 0 CGAERP C[NH2+]CCC[C@H](C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505499 522000627 /nfs/dbraw/zinc/00/06/27/522000627.db2.gz JOQHTIOKZHEDFS-RYUDHWBXSA-N 2 0 252.427 3.055 10 0 CGAERP Cc1oc(C[NH3+])cc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513835 526768607 /nfs/dbraw/zinc/76/86/07/526768607.db2.gz LYGLSXJBKSISCR-FZMZJTMJSA-N 2 0 250.386 3.057 10 0 CGAERP CCc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000311885937 572350016 /nfs/dbraw/zinc/35/00/16/572350016.db2.gz CHCKVWBVYIZZBI-JKIFEVAISA-N 2 0 260.425 3.227 10 0 CGAERP Cc1cccc2c(NC[C@H](C3CC3)[NH+](C)C)cc[nH+]c12 ZINC000091481823 345816668 /nfs/dbraw/zinc/81/66/68/345816668.db2.gz QEWCJOLDMHDIFV-MRXNPFEDSA-N 2 0 269.392 3.295 10 0 CGAERP C[NH2+]CC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000138024769 346095565 /nfs/dbraw/zinc/09/55/65/346095565.db2.gz JDKYQMGJJXSZCE-UHFFFAOYSA-N 2 0 294.442 3.440 10 0 CGAERP CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390848238 346575070 /nfs/dbraw/zinc/57/50/70/346575070.db2.gz GTGZBRRKGRXSPU-ALOPSCKCSA-N 2 0 290.476 3.135 10 0 CGAERP Cc1cccc2c(NCC3([NH+](C)C)CCOCC3)cc[nH+]c12 ZINC000301696876 201144463 /nfs/dbraw/zinc/14/44/63/201144463.db2.gz ZJFYNTVVVQQZOU-UHFFFAOYSA-N 2 0 299.418 3.066 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000037221410 541863886 /nfs/dbraw/zinc/86/38/86/541863886.db2.gz LBQWYHXJIOCGTN-NWDGAFQWSA-N 2 0 252.427 3.129 10 0 CGAERP CCCC[C@@H](CC)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000183614158 374434517 /nfs/dbraw/zinc/43/45/17/374434517.db2.gz KPXJNLWTNCZJSE-IAGOWNOFSA-N 2 0 298.515 3.227 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000248175452 377276657 /nfs/dbraw/zinc/27/66/57/377276657.db2.gz VMUBTOHLMAHBON-JRFZXPOESA-N 2 0 270.420 3.116 10 0 CGAERP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000192972776 542270174 /nfs/dbraw/zinc/27/01/74/542270174.db2.gz MLTJCUXWLVMBQP-QIPRVMPFSA-N 2 0 281.403 3.451 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000400805043 379955360 /nfs/dbraw/zinc/95/53/60/379955360.db2.gz VWQBGOHKMXHLJH-GMXVVIOVSA-N 2 0 297.240 3.098 10 0 CGAERP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1Br ZINC000093873032 165340309 /nfs/dbraw/zinc/34/03/09/165340309.db2.gz OJXUGHZEJBAZGW-UHFFFAOYSA-N 2 0 299.256 3.174 10 0 CGAERP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+](C)C)C1 ZINC000020128578 171015707 /nfs/dbraw/zinc/01/57/07/171015707.db2.gz KNVYDKDYZZTIMO-PBHICJAKSA-N 2 0 260.425 3.417 10 0 CGAERP COc1ccc([C@H](C)[N@@H+]2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000076515281 177031113 /nfs/dbraw/zinc/03/11/13/177031113.db2.gz DSQAGNQVUICDJZ-HOTGVXAUSA-N 2 0 290.451 3.324 10 0 CGAERP Cc1cc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C(C)C ZINC000131526701 287382770 /nfs/dbraw/zinc/38/27/70/287382770.db2.gz AGKPHSZJBBJDBU-JKSUJKDBSA-N 2 0 290.451 3.166 10 0 CGAERP C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000665264776 419096194 /nfs/dbraw/zinc/09/61/94/419096194.db2.gz IAWVESDKWROWNY-ONGXEEELSA-N 2 0 273.207 3.081 10 0 CGAERP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc21 ZINC000394036513 260162564 /nfs/dbraw/zinc/16/25/64/260162564.db2.gz HLLZLGVSEZPKLC-UTJXIGIESA-N 2 0 258.409 3.152 10 0 CGAERP C[NH2+]CCC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000261558933 277266252 /nfs/dbraw/zinc/26/62/52/277266252.db2.gz GCXUENLPSRNRJX-AWEZNQCLSA-N 2 0 274.399 3.133 10 0 CGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000342232854 335178471 /nfs/dbraw/zinc/17/84/71/335178471.db2.gz OAGLRSXIQVJATM-AWFCHZOYSA-N 2 0 273.424 3.480 10 0 CGAERP C[C@@H]1C[N@@H+]([C@H]2CCCC23CCCC3)C[C@@]1(C)C[NH3+] ZINC000385839343 336157972 /nfs/dbraw/zinc/15/79/72/336157972.db2.gz SEFSSAAAGLTIRO-QLFBSQMISA-N 2 0 250.430 3.016 10 0 CGAERP CCC[NH2+]CCC[C@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC000052370889 519913413 /nfs/dbraw/zinc/91/34/13/519913413.db2.gz FPHZBCQPESHYAA-AWEZNQCLSA-N 2 0 264.413 3.412 10 0 CGAERP CCc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062079070 521839857 /nfs/dbraw/zinc/83/98/57/521839857.db2.gz ADMLUIYFPFZRJO-HNNXBMFYSA-N 2 0 260.425 3.071 10 0 CGAERP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049554171 524170664 /nfs/dbraw/zinc/17/06/64/524170664.db2.gz ZJAMMZUHYNETKX-QXSJWSMHSA-N 2 0 252.446 3.275 10 0 CGAERP C[C@@H](C1CCCCC1)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000052342430 524336978 /nfs/dbraw/zinc/33/69/78/524336978.db2.gz JWXJPFDIKBHDNA-ILXRZTDVSA-N 2 0 252.446 3.275 10 0 CGAERP Cc1nc(C)c([C@@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602753 526743163 /nfs/dbraw/zinc/74/31/63/526743163.db2.gz LSNZIAGWCBNJME-NDNKKMJESA-N 2 0 279.453 3.165 10 0 CGAERP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@H+]1CCC[C@H]1C ZINC000052376127 526775282 /nfs/dbraw/zinc/77/52/82/526775282.db2.gz YLGYDUXBGVMAQC-GFCCVEGCSA-N 2 0 264.413 3.460 10 0 CGAERP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000123724651 535062459 /nfs/dbraw/zinc/06/24/59/535062459.db2.gz GZSAJGCSWKSHSH-OAHLLOKOSA-N 2 0 284.831 3.024 10 0 CGAERP CC[N@@H+]1CCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096075206 185090392 /nfs/dbraw/zinc/09/03/92/185090392.db2.gz FMRQFJXZVULDDI-UHFFFAOYSA-N 2 0 272.436 3.179 10 0 CGAERP C[C@@H]1C[C@@H]2[NH2+]CCC[C@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897638 185125489 /nfs/dbraw/zinc/12/54/89/185125489.db2.gz PIVGQFAFEWGSHV-OHFALNGGSA-N 2 0 258.409 3.038 10 0 CGAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839652 351150373 /nfs/dbraw/zinc/15/03/73/351150373.db2.gz JCCRRGRJPQWTKJ-OSAQELSMSA-N 2 0 266.816 3.318 10 0 CGAERP Cc1cccc2c(NC[C@H](C)[N@@H+]3CCOC[C@H]3C)cc[nH+]c12 ZINC000301688143 201139218 /nfs/dbraw/zinc/13/92/18/201139218.db2.gz VIJRUQYQLGASAJ-LSDHHAIUSA-N 2 0 299.418 3.064 10 0 CGAERP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000302073502 201333681 /nfs/dbraw/zinc/33/36/81/201333681.db2.gz WTRZTJOBRROVEV-UGSOOPFHSA-N 2 0 297.446 3.492 10 0 CGAERP CC(C)n1ccnc1Cn1cnc2c1C[C@H](C)[C@@H](C)C2 ZINC000296140762 373035002 /nfs/dbraw/zinc/03/50/02/373035002.db2.gz ZRPLKIACAHAQHX-STQMWFEESA-N 2 0 272.396 3.080 10 0 CGAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309814446 374199453 /nfs/dbraw/zinc/19/94/53/374199453.db2.gz XLILZAXXWNGGPK-VINWQNLFSA-N 2 0 284.447 3.285 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)ccc1Br ZINC000575439551 377911326 /nfs/dbraw/zinc/91/13/26/377911326.db2.gz GUAGADVOZOZZPA-NSHDSACASA-N 2 0 291.620 3.231 10 0 CGAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000302167443 392610412 /nfs/dbraw/zinc/61/04/12/392610412.db2.gz RZJWYYKBNQWHKY-HNNXBMFYSA-N 2 0 281.403 3.218 10 0 CGAERP FC1(F)CCCC[C@@H]1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000381743344 392913680 /nfs/dbraw/zinc/91/36/80/392913680.db2.gz UWYUYUNXCVUKKR-CABCVRRESA-N 2 0 286.410 3.276 10 0 CGAERP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1OC ZINC000089142357 165200453 /nfs/dbraw/zinc/20/04/53/165200453.db2.gz FWPWBELOKYWXHI-VNQPRFMTSA-N 2 0 276.424 3.253 10 0 CGAERP C[N@H+](Cc1cc(Cl)cc(Cl)c1)CC(C)(C)C[NH3+] ZINC000093873016 165341066 /nfs/dbraw/zinc/34/10/66/165341066.db2.gz DFNYEKZICYMWSE-UHFFFAOYSA-N 2 0 275.223 3.410 10 0 CGAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCCC1 ZINC000125278242 287242123 /nfs/dbraw/zinc/24/21/23/287242123.db2.gz MGDYUAAXRVZCER-KRWDZBQOSA-N 2 0 264.457 3.421 10 0 CGAERP c1ccc(CCC[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128870 171016682 /nfs/dbraw/zinc/01/66/82/171016682.db2.gz RSRVHOOHXBMIAD-UHFFFAOYSA-N 2 0 260.425 3.085 10 0 CGAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCc2cccs2)CC1 ZINC000037210063 173031582 /nfs/dbraw/zinc/03/15/82/173031582.db2.gz GSPCAGTUCBDPQB-AWEZNQCLSA-N 2 0 280.481 3.391 10 0 CGAERP CCC[NH+]1CCC([C@@H](C)[NH2+]Cc2cccs2)CC1 ZINC000037221143 173040156 /nfs/dbraw/zinc/04/01/56/173040156.db2.gz YDAXMFOGWNFVDQ-CYBMUJFWSA-N 2 0 266.454 3.348 10 0 CGAERP Cc1ncsc1C[NH2+]CCC[C@@H]([NH3+])c1ccccc1 ZINC000071402122 176153963 /nfs/dbraw/zinc/15/39/63/176153963.db2.gz ORTWJPCIHGJOQF-CQSZACIVSA-N 2 0 275.421 3.021 10 0 CGAERP Cc1ncc(C[NH2+]CCC[C@H]([NH3+])c2ccccc2)s1 ZINC000071401883 176154054 /nfs/dbraw/zinc/15/40/54/176154054.db2.gz XNCPFTUXXVOYAD-HNNXBMFYSA-N 2 0 275.421 3.021 10 0 CGAERP CC(C)[N@H+]1C[C@H](Nc2cc[nH+]c3ccccc23)[C@@H](C)C1 ZINC000129721576 287337926 /nfs/dbraw/zinc/33/79/26/287337926.db2.gz CYSBWUITEPMICU-GUYCJALGSA-N 2 0 269.392 3.375 10 0 CGAERP C1CC(C2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000665283525 419105901 /nfs/dbraw/zinc/10/59/01/419105901.db2.gz PIMLLAUNRYHYAO-HWOWSKLDSA-N 2 0 250.430 3.077 10 0 CGAERP Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000301678327 274713754 /nfs/dbraw/zinc/71/37/54/274713754.db2.gz QYSSPMRIFOFRRL-APPDUMDISA-N 2 0 287.382 3.069 10 0 CGAERP COC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423320144 293148146 /nfs/dbraw/zinc/14/81/46/293148146.db2.gz FGUNOMPVOMMFNT-HNNXBMFYSA-N 2 0 296.842 3.007 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@H]1C ZINC000052378647 519958991 /nfs/dbraw/zinc/95/89/91/519958991.db2.gz AQTBDVZBOZTNKO-CYBMUJFWSA-N 2 0 250.386 3.154 10 0 CGAERP CC(C)[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517823 519721983 /nfs/dbraw/zinc/72/19/83/519721983.db2.gz ZQBZZIPSPHFUSK-GOEBONIOSA-N 2 0 252.446 3.418 10 0 CGAERP CCC[NH2+]Cc1coc(C[N@H+](CCC)C(C)C)c1 ZINC000052450456 519966028 /nfs/dbraw/zinc/96/60/28/519966028.db2.gz AAFQODXDGJRLAV-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+]1CCCC1 ZINC000054559484 520218605 /nfs/dbraw/zinc/21/86/05/520218605.db2.gz OERNEYDTUSDCBH-OAGGEKHMSA-N 2 0 252.446 3.133 10 0 CGAERP CC[N@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C(C)C ZINC000052447072 521425297 /nfs/dbraw/zinc/42/52/97/521425297.db2.gz PVYVLAWACOQZKE-UHFFFAOYSA-N 2 0 252.402 3.398 10 0 CGAERP CC[C@@H]1CCCC[N@@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052447535 523178856 /nfs/dbraw/zinc/17/88/56/523178856.db2.gz CVBQIWXWTRGBPQ-OAHLLOKOSA-N 2 0 262.397 3.296 10 0 CGAERP C[C@H]1CCC[N@@H+]1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052376156 524123169 /nfs/dbraw/zinc/12/31/69/524123169.db2.gz MEVCORMHIXKVEJ-LBPRGKRZSA-N 2 0 250.386 3.152 10 0 CGAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)Cc1ccncc1 ZINC000052480989 524138737 /nfs/dbraw/zinc/13/87/37/524138737.db2.gz XAIXYURIIYOOHZ-CQSZACIVSA-N 2 0 263.429 3.070 10 0 CGAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546840 524459158 /nfs/dbraw/zinc/45/91/58/524459158.db2.gz RMLCFCBIWYJKPJ-OFQRWUPVSA-N 2 0 252.446 3.418 10 0 CGAERP [NH3+]CC[C@@H]1CC[C@H](c2cscc2C(F)F)[NH2+]C1 ZINC000757239662 630590387 /nfs/dbraw/zinc/59/03/87/630590387.db2.gz VRHXFOLMQXWHAH-GZMMTYOYSA-N 2 0 260.353 3.075 10 0 CGAERP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000096840191 640840643 /nfs/dbraw/zinc/84/06/43/640840643.db2.gz DMGPXZCXKVKODZ-XOQYZJNISA-N 2 0 270.420 3.165 10 0 CGAERP CCc1nc(CC[NH+](CC)CC)sc1C[NH2+]C(C)C ZINC000082425773 178000589 /nfs/dbraw/zinc/00/05/89/178000589.db2.gz BAGPJUWORKUKJC-UHFFFAOYSA-N 2 0 283.485 3.088 10 0 CGAERP [NH3+][C@H]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000096897660 185125760 /nfs/dbraw/zinc/12/57/60/185125760.db2.gz JMNSMUXUZWALHV-DLBZAZTESA-N 2 0 258.409 3.170 10 0 CGAERP CCC(CC)[C@@H]1[C@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409428264 346605245 /nfs/dbraw/zinc/60/52/45/346605245.db2.gz DMDSPHLMHJTPKS-GBESFXJTSA-N 2 0 286.463 3.485 10 0 CGAERP C[NH+](C)CCC[N@@H+]1CCC2(C1)CCC(C)(C)CC2 ZINC000026815966 368865050 /nfs/dbraw/zinc/86/50/50/368865050.db2.gz UXTQPROAPLPKIL-UHFFFAOYSA-N 2 0 252.446 3.230 10 0 CGAERP CC[N@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1F ZINC000034958034 368982394 /nfs/dbraw/zinc/98/23/94/368982394.db2.gz GEBFIZGQYAMEMR-UHFFFAOYSA-N 2 0 272.367 3.307 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000036959964 369042492 /nfs/dbraw/zinc/04/24/92/369042492.db2.gz RHJQSNWXBNCAMW-AWEZNQCLSA-N 2 0 285.391 3.303 10 0 CGAERP Clc1ccc2nccc(NCC3CC[NH2+]CC3)c2c1 ZINC000073738701 369864784 /nfs/dbraw/zinc/86/47/84/369864784.db2.gz CPLOLPAAEBPAKL-UHFFFAOYSA-N 2 0 275.783 3.300 10 0 CGAERP Clc1ccc2nccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000172151205 372913695 /nfs/dbraw/zinc/91/36/95/372913695.db2.gz ZAJTWHXAQLFFBM-CYBMUJFWSA-N 2 0 287.794 3.173 10 0 CGAERP CCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311964851 374263371 /nfs/dbraw/zinc/26/33/71/374263371.db2.gz JZWGMCYOUPJCNT-DJIMGWMZSA-N 2 0 260.425 3.445 10 0 CGAERP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000312627399 374287441 /nfs/dbraw/zinc/28/74/41/374287441.db2.gz BNYPYXRBCFPZOK-MWDXBVQZSA-N 2 0 272.436 3.342 10 0 CGAERP CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891759 376021118 /nfs/dbraw/zinc/02/11/18/376021118.db2.gz IWBCWMOFNHGMIF-RISCZKNCSA-N 2 0 286.341 3.450 10 0 CGAERP Cc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000037648921 249002567 /nfs/dbraw/zinc/00/25/67/249002567.db2.gz GDTONSYKMIXSCE-ZLPCBKJTSA-N 2 0 284.447 3.315 10 0 CGAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(C)c3)C2)C1 ZINC000037644384 249002733 /nfs/dbraw/zinc/00/27/33/249002733.db2.gz PBIJIZOMTKTLJD-ZLPCBKJTSA-N 2 0 272.436 3.172 10 0 CGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000188648041 249058562 /nfs/dbraw/zinc/05/85/62/249058562.db2.gz HNACVIWBZVQBOE-UKRRQHHQSA-N 2 0 295.496 3.251 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575438502 377911356 /nfs/dbraw/zinc/91/13/56/377911356.db2.gz LKNMHFYFFHXVDK-SECBINFHSA-N 2 0 265.159 3.261 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000224100613 542289794 /nfs/dbraw/zinc/28/97/94/542289794.db2.gz RRXXKPYRYVIYIF-IACUBPJLSA-N 2 0 292.389 3.427 10 0 CGAERP CCCn1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000091015977 165252799 /nfs/dbraw/zinc/25/27/99/165252799.db2.gz PZMNPUKXBHSTDP-ALOPSCKCSA-N 2 0 275.440 3.003 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccccc1 ZINC000020128653 171015122 /nfs/dbraw/zinc/01/51/22/171015122.db2.gz ITCWJGNWUMTBRJ-UHFFFAOYSA-N 2 0 254.377 3.038 10 0 CGAERP CC1CC[NH+](CC[C@@H]([NH3+])c2ccc(Cl)cc2)CC1 ZINC000020273991 171130523 /nfs/dbraw/zinc/13/05/23/171130523.db2.gz YYKKVGALUTUKHW-OAHLLOKOSA-N 2 0 266.816 3.462 10 0 CGAERP CC[C@@H]([NH2+]C)c1ccccc1OCC[NH+](CC)CC ZINC000034818167 171871628 /nfs/dbraw/zinc/87/16/28/171871628.db2.gz KKDJUEHTMVPVQQ-OAHLLOKOSA-N 2 0 264.413 3.078 10 0 CGAERP C[N@H+](Cc1ccc(C(N)=[NH2+])cc1)C1CCCCCC1 ZINC000036328642 172613035 /nfs/dbraw/zinc/61/30/35/172613035.db2.gz IRELRNUEZPJMCZ-UHFFFAOYSA-N 2 0 259.397 3.125 10 0 CGAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C2CCCCCC2)C1 ZINC000037220272 173037704 /nfs/dbraw/zinc/03/77/04/173037704.db2.gz SDLCVGUMNQGPLL-CABCVRRESA-N 2 0 252.446 3.419 10 0 CGAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037220253 173038267 /nfs/dbraw/zinc/03/82/67/173038267.db2.gz XUBWQERLBSKCQB-ZFWWWQNUSA-N 2 0 280.843 3.202 10 0 CGAERP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)C2CC2)cc1 ZINC000037229518 173050056 /nfs/dbraw/zinc/05/00/56/173050056.db2.gz XNLFQLHPXCXVHT-SFHVURJKSA-N 2 0 288.435 3.222 10 0 CGAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC000037739637 173660008 /nfs/dbraw/zinc/66/00/08/173660008.db2.gz NYJVVZCSHFZSTM-ZBFHGGJFSA-N 2 0 252.446 3.277 10 0 CGAERP CC[N@H+](Cc1ccc(F)cc1C[NH3+])C1CCCC1 ZINC000071250347 176094900 /nfs/dbraw/zinc/09/49/00/176094900.db2.gz IZFXJFRRMKRFSX-UHFFFAOYSA-N 2 0 250.361 3.049 10 0 CGAERP C1CC(C2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000665283526 419105289 /nfs/dbraw/zinc/10/52/89/419105289.db2.gz PIMLLAUNRYHYAO-PCKAHOCUSA-N 2 0 250.430 3.077 10 0 CGAERP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1 ZINC000216331934 277585606 /nfs/dbraw/zinc/58/56/06/277585606.db2.gz OESQEXXUDUBMJL-DEORAPPZSA-N 2 0 276.468 3.274 10 0 CGAERP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000530211011 288300519 /nfs/dbraw/zinc/30/05/19/288300519.db2.gz LFIFJIPRMOVBOF-CJNGLKHVSA-N 2 0 264.457 3.181 10 0 CGAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]2CC)c(C)o1 ZINC000052375363 519987860 /nfs/dbraw/zinc/98/78/60/519987860.db2.gz KAHKBQNCVZXFDB-AWEZNQCLSA-N 2 0 250.386 3.072 10 0 CGAERP CC(C)[NH2+]C[C@@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482238 519722709 /nfs/dbraw/zinc/72/27/09/519722709.db2.gz UFKIULDKSDEJIN-OWCLPIDISA-N 2 0 252.446 3.133 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[N@H+](C)[C@@H](C)C(C)C ZINC000052478472 519730242 /nfs/dbraw/zinc/73/02/42/519730242.db2.gz RBMKINUAEMVUHI-ZDUSSCGKSA-N 2 0 252.402 3.254 10 0 CGAERP CCCC1CC[NH+](Cc2ccoc2C[NH2+]C)CC1 ZINC000052373924 519901998 /nfs/dbraw/zinc/90/19/98/519901998.db2.gz DEULQQSLBZFPMD-UHFFFAOYSA-N 2 0 250.386 3.011 10 0 CGAERP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCc3sccc32)C1 ZINC000061363884 519951200 /nfs/dbraw/zinc/95/12/00/519951200.db2.gz GMDGTNICQWQSFK-GXTWGEPZSA-N 2 0 264.438 3.057 10 0 CGAERP C[NH2+]Cc1occc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513666 522163983 /nfs/dbraw/zinc/16/39/83/522163983.db2.gz DYSLCRFFXWHOBR-TZMCWYRMSA-N 2 0 250.386 3.010 10 0 CGAERP CCCCCC[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757127974 617754501 /nfs/dbraw/zinc/75/45/01/617754501.db2.gz IHSBEOMAZMJWOV-MRXNPFEDSA-N 2 0 250.430 3.127 10 0 CGAERP C[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000163106033 619310668 /nfs/dbraw/zinc/31/06/68/619310668.db2.gz JONUETXSGMXHPO-INIZCTEOSA-N 2 0 288.435 3.220 10 0 CGAERP CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(Cl)cc21 ZINC000082509374 178076126 /nfs/dbraw/zinc/07/61/26/178076126.db2.gz IZQICDRUKGSOKT-AWEZNQCLSA-N 2 0 294.826 3.238 10 0 CGAERP C[N@H+](Cc1ccc(C(C)(C)C)s1)CC(C)(C)C[NH3+] ZINC000166183846 529984222 /nfs/dbraw/zinc/98/42/22/529984222.db2.gz CYYAVDMPVFUFKM-UHFFFAOYSA-N 2 0 268.470 3.462 10 0 CGAERP CC1(C)CC(CC[NH3+])(c2ccccc2)CC(C)(C)[NH2+]1 ZINC000584637095 346700985 /nfs/dbraw/zinc/70/09/85/346700985.db2.gz UDASXGCVLVTYQL-UHFFFAOYSA-N 2 0 260.425 3.214 10 0 CGAERP c1ccc(C[N@H+]2CCC[C@H](CCC[NH2+]C3CC3)C2)cc1 ZINC000095081353 370171166 /nfs/dbraw/zinc/17/11/66/370171166.db2.gz ZHLIGDINHZSVCF-KRWDZBQOSA-N 2 0 272.436 3.431 10 0 CGAERP CC[NH2+]CCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095091573 370173782 /nfs/dbraw/zinc/17/37/82/370173782.db2.gz SKEUFIGRNWDVQM-UHFFFAOYSA-N 2 0 260.425 3.288 10 0 CGAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000422686915 371755503 /nfs/dbraw/zinc/75/55/03/371755503.db2.gz BBRLEGOBCVBLRY-CHWSQXEVSA-N 2 0 260.425 3.243 10 0 CGAERP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422746149 371782608 /nfs/dbraw/zinc/78/26/08/371782608.db2.gz NKYATTJDYCRJJW-QIXHYMPYSA-N 2 0 258.409 3.183 10 0 CGAERP C1CC([NH+]2CCCC3(CCC[N@@H+](C4CCC4)C3)C2)C1 ZINC000336008467 375613585 /nfs/dbraw/zinc/61/35/85/375613585.db2.gz LPHOKCBTXMJTPC-UHFFFAOYSA-N 2 0 262.441 3.269 10 0 CGAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000193477794 375885082 /nfs/dbraw/zinc/88/50/82/375885082.db2.gz YSMKHEMJIYFEEE-MRXNPFEDSA-N 2 0 250.430 3.127 10 0 CGAERP CSc1ccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000216068789 376157013 /nfs/dbraw/zinc/15/70/13/376157013.db2.gz DQVHZDVWLWKHJE-IUODEOHRSA-N 2 0 264.438 3.140 10 0 CGAERP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1n1ccnc1 ZINC000245556747 376852913 /nfs/dbraw/zinc/85/29/13/376852913.db2.gz ANXSIEGPBMPPLE-BLLLJJGKSA-N 2 0 291.345 3.244 10 0 CGAERP CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[C@H]1[NH3+] ZINC000251678348 542347148 /nfs/dbraw/zinc/34/71/48/542347148.db2.gz HUUCXWYFJBZSIS-DZGCQCFKSA-N 2 0 269.392 3.107 10 0 CGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149514 165058657 /nfs/dbraw/zinc/05/86/57/165058657.db2.gz DVSBTADGPJYVGS-QGZVFWFLSA-N 2 0 290.451 3.276 10 0 CGAERP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261633139 287139614 /nfs/dbraw/zinc/13/96/14/287139614.db2.gz HXGVNUSEBVTZMJ-FZMZJTMJSA-N 2 0 298.377 3.408 10 0 CGAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC000038019004 173994855 /nfs/dbraw/zinc/99/48/55/173994855.db2.gz TXAANYKCVHTESN-IKKMQULASA-N 2 0 294.389 3.488 10 0 CGAERP CCc1ccc([C@@H](CC[NH3+])C[NH+]2CCCCC2)cc1 ZINC000076671434 177053746 /nfs/dbraw/zinc/05/37/46/177053746.db2.gz COOVSKRHKZCHHV-KRWDZBQOSA-N 2 0 260.425 3.167 10 0 CGAERP CC1(C)CC(C[NH2+]C2CC[NH2+]CC2)CC(C)(C)C1 ZINC000665245907 419091215 /nfs/dbraw/zinc/09/12/15/419091215.db2.gz UPZAEKJDWZRDMW-UHFFFAOYSA-N 2 0 252.446 3.181 10 0 CGAERP C(C1CCCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000089562522 260187889 /nfs/dbraw/zinc/18/78/89/260187889.db2.gz ZHXGLHUIQCJAAI-QGZVFWFLSA-N 2 0 264.457 3.421 10 0 CGAERP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CC(C)(C)C1 ZINC000344330286 278025041 /nfs/dbraw/zinc/02/50/41/278025041.db2.gz OAXCOMQKVQGNFK-HIFRSBDPSA-N 2 0 250.430 3.053 10 0 CGAERP CC[NH2+]CCC[C@@H](C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370708 519920221 /nfs/dbraw/zinc/92/02/21/519920221.db2.gz STCBGYDOYZXLSD-CYBMUJFWSA-N 2 0 266.454 3.491 10 0 CGAERP CCO[C@@H](C[NH3+])CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062741290 520306522 /nfs/dbraw/zinc/30/65/22/520306522.db2.gz OTHFERHYNIMCEH-QWHCGFSZSA-N 2 0 284.831 3.087 10 0 CGAERP CC(C)(C)[NH2+]CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050600635 518755891 /nfs/dbraw/zinc/75/58/91/518755891.db2.gz ICOLQVMECDGLIM-MRXNPFEDSA-N 2 0 260.425 3.254 10 0 CGAERP CCC[NH2+]Cc1occc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000052510007 519973491 /nfs/dbraw/zinc/97/34/91/519973491.db2.gz CMIHZVLUTVIJSX-KGLIPLIRSA-N 2 0 264.413 3.400 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](CC)CC(C)C)c(C)o1 ZINC000052449923 519987616 /nfs/dbraw/zinc/98/76/16/519987616.db2.gz AEVIAOKYXSCGDI-UHFFFAOYSA-N 2 0 252.402 3.175 10 0 CGAERP CCC[C@@H](c1cccs1)[NH+]1CCC([NH2+]C)CC1 ZINC000049545585 520811187 /nfs/dbraw/zinc/81/11/87/520811187.db2.gz UTKPISLBXCTXBA-ZDUSSCGKSA-N 2 0 252.427 3.273 10 0 CGAERP CC1CC[NH+](Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052376941 521027752 /nfs/dbraw/zinc/02/77/52/521027752.db2.gz XVKSLBKWTNIVHA-UHFFFAOYSA-N 2 0 264.413 3.400 10 0 CGAERP CCC[N@H+](Cc1cc(C[NH2+]CC(C)C)no1)C(C)C ZINC000052450357 521681198 /nfs/dbraw/zinc/68/11/98/521681198.db2.gz RXDPJIWLXDZCOQ-UHFFFAOYSA-N 2 0 267.417 3.041 10 0 CGAERP C[NH2+]Cc1cccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000052513465 522128143 /nfs/dbraw/zinc/12/81/43/522128143.db2.gz RUKWGECQYFUCHB-PBHICJAKSA-N 2 0 260.425 3.417 10 0 CGAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000050953057 522786916 /nfs/dbraw/zinc/78/69/16/522786916.db2.gz XJEUIBGIPSCZSV-MRXNPFEDSA-N 2 0 264.388 3.180 10 0 CGAERP Cc1cc(C[N@@H+]2CC[C@@H](C)C2)oc1C[NH2+]CC(C)C ZINC000052484780 524703805 /nfs/dbraw/zinc/70/38/05/524703805.db2.gz QYDIVPGBYLPHQA-CYBMUJFWSA-N 2 0 264.413 3.175 10 0 CGAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccoc2C[NH2+]C2CC2)C1 ZINC000052420663 525213472 /nfs/dbraw/zinc/21/34/72/525213472.db2.gz XPESFFOREZIYAS-CHWSQXEVSA-N 2 0 262.397 3.010 10 0 CGAERP C[C@@H](c1cccs1)[N@H+](C)CCC[C@@H]1CCC[NH2+]1 ZINC000052764614 526144347 /nfs/dbraw/zinc/14/43/47/526144347.db2.gz LIBCVLFQYKLSFC-STQMWFEESA-N 2 0 252.427 3.273 10 0 CGAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cscc2C(F)F)[NH2+]1 ZINC000757229878 630590216 /nfs/dbraw/zinc/59/02/16/630590216.db2.gz FHLVZZXMOMLWBQ-KIKITERTSA-N 2 0 274.380 3.320 10 0 CGAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cscc2C(F)F)[NH2+]1 ZINC000757231352 630590274 /nfs/dbraw/zinc/59/02/74/630590274.db2.gz HLNHJBQISXSNIJ-VHSKPIJISA-N 2 0 260.353 3.074 10 0 CGAERP CCCc1cc(N2CC[C@@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000301799388 201203233 /nfs/dbraw/zinc/20/32/33/201203233.db2.gz RMPLCLBRAKJWPV-OAHLLOKOSA-N 2 0 283.419 3.328 10 0 CGAERP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc[nH+]1 ZINC000302221960 373832318 /nfs/dbraw/zinc/83/23/18/373832318.db2.gz OEPFFIQGXZJSRK-RDTXWAMCSA-N 2 0 296.418 3.108 10 0 CGAERP C[C@@H](CCSc1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598665 375896858 /nfs/dbraw/zinc/89/68/58/375896858.db2.gz MUJFOEJHUFOZFM-HRCADAONSA-N 2 0 290.476 3.051 10 0 CGAERP C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000562958997 377378831 /nfs/dbraw/zinc/37/88/31/377378831.db2.gz JOBIGGNRDARLNU-CHWSQXEVSA-N 2 0 266.454 3.003 10 0 CGAERP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000251256293 377578424 /nfs/dbraw/zinc/57/84/24/377578424.db2.gz DQWRVVRFPBPFRF-XIRDDKMYSA-N 2 0 258.409 3.272 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(NCc2ccccc2)cc1 ZINC000575440126 377912468 /nfs/dbraw/zinc/91/24/68/377912468.db2.gz JHZONJMZOORKFC-SFHVURJKSA-N 2 0 283.419 3.428 10 0 CGAERP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485570 379951014 /nfs/dbraw/zinc/95/10/14/379951014.db2.gz XJAZPHQVWRSSTR-INWMFGNUSA-N 2 0 264.388 3.110 10 0 CGAERP Clc1ccsc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000194482416 542276192 /nfs/dbraw/zinc/27/61/92/542276192.db2.gz DYUQGSLUKAPIFY-LLVKDONJSA-N 2 0 281.812 3.263 10 0 CGAERP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251046050 393116429 /nfs/dbraw/zinc/11/64/29/393116429.db2.gz DTVWCPCIQTWDFJ-KURKYZTESA-N 2 0 272.436 3.224 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000678738531 543552657 /nfs/dbraw/zinc/55/26/57/543552657.db2.gz IKVXOTPNSXQADN-HOTGVXAUSA-N 2 0 260.425 3.438 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000678738532 543552702 /nfs/dbraw/zinc/55/27/02/543552702.db2.gz IKVXOTPNSXQADN-HZPDHXFCSA-N 2 0 260.425 3.438 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC2CCC1CC2 ZINC000517239797 287049953 /nfs/dbraw/zinc/04/99/53/287049953.db2.gz UFIXAZINUBCTES-BHKXSJRLSA-N 2 0 264.457 3.179 10 0 CGAERP C[NH2+]CCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874516 171277445 /nfs/dbraw/zinc/27/74/45/171277445.db2.gz IXQBVKWBBKHWDM-UHFFFAOYSA-N 2 0 298.430 3.273 10 0 CGAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC000037259245 173069166 /nfs/dbraw/zinc/06/91/66/173069166.db2.gz JJBDGHYUDFFKFV-GDBMZVCRSA-N 2 0 252.446 3.277 10 0 CGAERP CC[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[C@@H]1[NH3+] ZINC000122976181 416505967 /nfs/dbraw/zinc/50/59/67/416505967.db2.gz HUUCXWYFJBZSIS-HIFRSBDPSA-N 2 0 269.392 3.107 10 0 CGAERP C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000665264773 419097144 /nfs/dbraw/zinc/09/71/44/419097144.db2.gz IAWVESDKWROWNY-GXSJLCMTSA-N 2 0 273.207 3.081 10 0 CGAERP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000530211012 288300482 /nfs/dbraw/zinc/30/04/82/288300482.db2.gz LFIFJIPRMOVBOF-CZUORRHYSA-N 2 0 264.457 3.181 10 0 CGAERP CC[NH2+]Cc1oc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cc1C ZINC000052510436 520027379 /nfs/dbraw/zinc/02/73/79/520027379.db2.gz MOSXDJXGZNSTQX-JSGCOSHPSA-N 2 0 264.413 3.318 10 0 CGAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000400528108 533870728 /nfs/dbraw/zinc/87/07/28/533870728.db2.gz QTUOEYVDTPJXME-JQWIXIFHSA-N 2 0 287.234 3.124 10 0 CGAERP CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+]2CCCCC2)C1 ZINC000053862502 518943775 /nfs/dbraw/zinc/94/37/75/518943775.db2.gz AWXCDNZYXXBTTF-RRFJBIMHSA-N 2 0 252.446 3.262 10 0 CGAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419143 519721009 /nfs/dbraw/zinc/72/10/09/519721009.db2.gz DCFZMHFOWSCSKN-OAHLLOKOSA-N 2 0 260.425 3.211 10 0 CGAERP CCC[NH2+]CCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373005 519911855 /nfs/dbraw/zinc/91/18/55/519911855.db2.gz JLMXPUSODCTCHQ-QGZVFWFLSA-N 2 0 260.425 3.256 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)c(C)o1 ZINC000052453623 519945583 /nfs/dbraw/zinc/94/55/83/519945583.db2.gz MGRIQCXJUYYEKR-CQSZACIVSA-N 2 0 282.453 3.025 10 0 CGAERP CCC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)o1 ZINC000052378696 519947769 /nfs/dbraw/zinc/94/77/69/519947769.db2.gz OVJJUMDEVXXTER-CYBMUJFWSA-N 2 0 250.386 3.154 10 0 CGAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H](CC)C1 ZINC000052479677 520009916 /nfs/dbraw/zinc/00/99/16/520009916.db2.gz XYDPVUJFNUKKHI-CYBMUJFWSA-N 2 0 250.386 3.011 10 0 CGAERP CCCO[C@@H]1CCC[N@H+](CCCCC[NH2+]C(C)C)C1 ZINC000052371639 520271020 /nfs/dbraw/zinc/27/10/20/520271020.db2.gz HCZZWKNJCSFSKP-MRXNPFEDSA-N 2 0 270.461 3.046 10 0 CGAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052480624 520647007 /nfs/dbraw/zinc/64/70/07/520647007.db2.gz KOHOYZBZLCHVJI-GFCCVEGCSA-N 2 0 267.417 3.183 10 0 CGAERP CCC[C@H](c1cccs1)[NH+]1CCC([NH2+]C)CC1 ZINC000049545588 521197053 /nfs/dbraw/zinc/19/70/53/521197053.db2.gz UTKPISLBXCTXBA-CYBMUJFWSA-N 2 0 252.427 3.273 10 0 CGAERP CC[C@@H](C)C[N@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052453958 521971990 /nfs/dbraw/zinc/97/19/90/521971990.db2.gz KMZVODRCDJDSCG-CYBMUJFWSA-N 2 0 252.402 3.256 10 0 CGAERP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052508311 524499698 /nfs/dbraw/zinc/49/96/98/524499698.db2.gz SFOZQHRTNIWVOA-LBPRGKRZSA-N 2 0 266.816 3.302 10 0 CGAERP Cc1cc(C[N@H+]2CCC[C@@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052376221 524683885 /nfs/dbraw/zinc/68/38/85/524683885.db2.gz ISAOAYISSNUCQE-ZDUSSCGKSA-N 2 0 264.413 3.460 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423486759 527810216 /nfs/dbraw/zinc/81/02/16/527810216.db2.gz CDSFRNPXUFKFOG-YIDVYQOGSA-N 2 0 252.446 3.164 10 0 CGAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cscc2C(F)F)[NH2+]1 ZINC000757229895 630590089 /nfs/dbraw/zinc/59/00/89/630590089.db2.gz FHLVZZXMOMLWBQ-NHRVJRKFSA-N 2 0 274.380 3.320 10 0 CGAERP CC(C)(C[NH3+])CNc1ccnc2cc(Cl)ccc21 ZINC000036474317 344943813 /nfs/dbraw/zinc/94/38/13/344943813.db2.gz LHKDUDGIPVLGDX-UHFFFAOYSA-N 2 0 263.772 3.285 10 0 CGAERP [NH3+][C@H]1CC[N@@H+]2CC(c3ccccc3)(c3ccccc3)C[C@H]2C1 ZINC000212815040 346287194 /nfs/dbraw/zinc/28/71/94/346287194.db2.gz JNGCGONUARBQCV-RBUKOAKNSA-N 2 0 292.426 3.168 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C(C)(C)C)[C@H]2C1 ZINC000409430013 346605273 /nfs/dbraw/zinc/60/52/73/346605273.db2.gz KKFLVBXDWQRFCH-IKGGRYGDSA-N 2 0 272.436 3.095 10 0 CGAERP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000631834608 351149911 /nfs/dbraw/zinc/14/99/11/351149911.db2.gz BIYFRCJOFYBROT-STQMWFEESA-N 2 0 260.372 3.015 10 0 CGAERP Clc1ccc2nccc(N[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073738714 369864614 /nfs/dbraw/zinc/86/46/14/369864614.db2.gz ZGFFBHTWTYOXNB-LLVKDONJSA-N 2 0 261.756 3.052 10 0 CGAERP CC(C)[C@@H]([NH3+])CCN(C)c1cc[nH+]c2ccccc21 ZINC000133611516 371266491 /nfs/dbraw/zinc/26/64/91/371266491.db2.gz WFGVSTGXHVNWPT-AWEZNQCLSA-N 2 0 257.381 3.044 10 0 CGAERP CCc1nccn1[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000171746660 372819771 /nfs/dbraw/zinc/81/97/71/372819771.db2.gz PCHVWNBXECCQDG-GJZGRUSLSA-N 2 0 259.397 3.191 10 0 CGAERP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632140 375900722 /nfs/dbraw/zinc/90/07/22/375900722.db2.gz POBPPEWVYDCBAY-FPMFFAJLSA-N 2 0 298.352 3.260 10 0 CGAERP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4ccccc43)CC[C@H]21 ZINC000247075843 377154809 /nfs/dbraw/zinc/15/48/09/377154809.db2.gz QMFGMQBKWGEROZ-WMLDXEAASA-N 2 0 281.403 3.155 10 0 CGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000248388897 377304146 /nfs/dbraw/zinc/30/41/46/377304146.db2.gz AKCJIEKWGFMIIR-SZMVWBNQSA-N 2 0 270.420 3.039 10 0 CGAERP CC(C)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388257060 379882448 /nfs/dbraw/zinc/88/24/48/379882448.db2.gz JXIUGWVQFNIWAN-DJIMGWMZSA-N 2 0 260.425 3.300 10 0 CGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400719191 392947320 /nfs/dbraw/zinc/94/73/20/392947320.db2.gz OAJBJGPJHJGYBB-VBQJREDUSA-N 2 0 260.425 3.459 10 0 CGAERP Cc1cc(NC[C@H]2CCCC[NH2+]2)c2ccccc2[nH+]1 ZINC000044493484 397618738 /nfs/dbraw/zinc/61/87/38/397618738.db2.gz JZJCUDXJLXXQDJ-CYBMUJFWSA-N 2 0 255.365 3.097 10 0 CGAERP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1OC ZINC000089142361 165198560 /nfs/dbraw/zinc/19/85/60/165198560.db2.gz FWPWBELOKYWXHI-KBMXLJTQSA-N 2 0 276.424 3.253 10 0 CGAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC000037259243 173068928 /nfs/dbraw/zinc/06/89/28/173068928.db2.gz JJBDGHYUDFFKFV-ZBFHGGJFSA-N 2 0 252.446 3.277 10 0 CGAERP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328253 174686709 /nfs/dbraw/zinc/68/67/09/174686709.db2.gz VGVHPRYCUPJUCZ-AWEZNQCLSA-N 2 0 266.454 3.377 10 0 CGAERP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)Cc2cccs2)[C@H](C)C1 ZINC000071271050 176104354 /nfs/dbraw/zinc/10/43/54/176104354.db2.gz BBLSWYLBQNCFHT-HZSPNIEDSA-N 2 0 266.454 3.142 10 0 CGAERP Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])c2ccccc2[nH+]1 ZINC000038050807 274719882 /nfs/dbraw/zinc/71/98/82/274719882.db2.gz YOMHAMWQUBCLLQ-ZFWWWQNUSA-N 2 0 255.365 3.225 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000386071666 336165844 /nfs/dbraw/zinc/16/58/44/336165844.db2.gz ZVDBIJDMLKOGMU-UMSGYPCISA-N 2 0 278.362 3.228 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000052378916 519728718 /nfs/dbraw/zinc/72/87/18/519728718.db2.gz FRQSZTBWLGRJFD-ZDUSSCGKSA-N 2 0 250.386 3.152 10 0 CGAERP CC[NH2+]Cc1coc(C[N@H+](CC(C)C)C2CC2)c1 ZINC000052515805 520017827 /nfs/dbraw/zinc/01/78/27/520017827.db2.gz SBWMXBZQMBQZDW-UHFFFAOYSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416567 519721467 /nfs/dbraw/zinc/72/14/67/519721467.db2.gz VVKHUFANDXVTMV-ZDUSSCGKSA-N 2 0 266.454 3.273 10 0 CGAERP CC(C)C[NH2+]Cc1ccoc1C[N@H+](C)C1CCCC1 ZINC000052444731 519748018 /nfs/dbraw/zinc/74/80/18/519748018.db2.gz BNPVQCWHBNSMQB-UHFFFAOYSA-N 2 0 264.413 3.400 10 0 CGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000054626597 519907535 /nfs/dbraw/zinc/90/75/35/519907535.db2.gz HJSDGFYEMMDDMA-VHRNVKJDSA-N 2 0 250.430 3.314 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@H+](CC)C(C)C)oc1C ZINC000052446699 519945197 /nfs/dbraw/zinc/94/51/97/519945197.db2.gz RFPHZQXZIJXIHW-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP CCC[NH2+]Cc1ccccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000052479292 519955894 /nfs/dbraw/zinc/95/58/94/519955894.db2.gz UHEQWVWAJNVYSU-AWEZNQCLSA-N 2 0 260.425 3.417 10 0 CGAERP CC[N@H+](CC[C@@H]([NH3+])C(C)(C)C)Cc1cccs1 ZINC000054029168 521155336 /nfs/dbraw/zinc/15/53/36/521155336.db2.gz LVZWSWSJXWFPAQ-CYBMUJFWSA-N 2 0 254.443 3.334 10 0 CGAERP CC[N@H+](Cc1cc(C[NH3+])c(C)o1)Cc1ccccc1 ZINC000052443756 521290362 /nfs/dbraw/zinc/29/03/62/521290362.db2.gz CNCCRLWHXOCZHH-UHFFFAOYSA-N 2 0 258.365 3.069 10 0 CGAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000052546928 522133989 /nfs/dbraw/zinc/13/39/89/522133989.db2.gz KVXSQAJFPZUYTP-YOEHRIQHSA-N 2 0 260.425 3.417 10 0 CGAERP C[NH2+]Cc1occc1C[N@H+](C)C1CCC(C)CC1 ZINC000052345383 522161583 /nfs/dbraw/zinc/16/15/83/522161583.db2.gz FEKNCIUYPATMFI-UHFFFAOYSA-N 2 0 250.386 3.010 10 0 CGAERP Cc1cc(C[NH+]2CCC(C)CC2)oc1C[NH2+]C1CC1 ZINC000052377249 524673824 /nfs/dbraw/zinc/67/38/24/524673824.db2.gz SGWRTNJKCFFLTP-UHFFFAOYSA-N 2 0 262.397 3.072 10 0 CGAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712042042 567836985 /nfs/dbraw/zinc/83/69/85/567836985.db2.gz QHBFNWJXMXCDRW-NPCAHTBFSA-N 2 0 252.446 3.405 10 0 CGAERP c1ccc(CC[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446063 640199490 /nfs/dbraw/zinc/19/94/90/640199490.db2.gz YDIUGYQMWNHCPC-HXUWFJFHSA-N 2 0 294.442 3.341 10 0 CGAERP Cc1cc(N2CCC[N@H+](C/C=C\c3ccco3)CC2)cc[nH+]1 ZINC000096851337 640840660 /nfs/dbraw/zinc/84/06/60/640840660.db2.gz SDDJQJJASMDNAO-DJWKRKHSSA-N 2 0 297.402 3.209 10 0 CGAERP [NH3+]C[C@H]1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000096897652 185125198 /nfs/dbraw/zinc/12/51/98/185125198.db2.gz KXNLFCZRNINQHM-DLBZAZTESA-N 2 0 258.409 3.170 10 0 CGAERP CC1CCC(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623657560 349859709 /nfs/dbraw/zinc/85/97/09/349859709.db2.gz ULAGQLNQXVCUSV-UYSNPLJNSA-N 2 0 252.446 3.134 10 0 CGAERP C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360935 346335182 /nfs/dbraw/zinc/33/51/82/346335182.db2.gz NEWLVGXTOPQDQS-IGCXYCKISA-N 2 0 254.377 3.180 10 0 CGAERP CCC(CC)[C@@H]1[C@@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409428266 346604793 /nfs/dbraw/zinc/60/47/93/346604793.db2.gz DMDSPHLMHJTPKS-GUDVDZBRSA-N 2 0 286.463 3.485 10 0 CGAERP C[NH+](C)CCC[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000584615911 346693926 /nfs/dbraw/zinc/69/39/26/346693926.db2.gz UUJRFPVAFSVRSD-HNNXBMFYSA-N 2 0 256.393 3.224 10 0 CGAERP CC1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629652738 350731433 /nfs/dbraw/zinc/73/14/33/350731433.db2.gz BLCYYEZXFVICJK-NWINJMCUSA-N 2 0 292.389 3.272 10 0 CGAERP CCc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)o1 ZINC000122889509 187057911 /nfs/dbraw/zinc/05/79/11/187057911.db2.gz DLEARXPXWSGXTB-CQSZACIVSA-N 2 0 287.407 3.438 10 0 CGAERP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc[nH+]1 ZINC000302221958 373832358 /nfs/dbraw/zinc/83/23/58/373832358.db2.gz OEPFFIQGXZJSRK-KDOFPFPSSA-N 2 0 296.418 3.108 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000575438421 377910318 /nfs/dbraw/zinc/91/03/18/377910318.db2.gz KNQPDOVKKGYESP-KRWDZBQOSA-N 2 0 284.403 3.394 10 0 CGAERP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603693 379467303 /nfs/dbraw/zinc/46/73/03/379467303.db2.gz LEMLFVYHFBSPEG-FHWLQOOXSA-N 2 0 295.430 3.015 10 0 CGAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000392232899 379911504 /nfs/dbraw/zinc/91/15/04/379911504.db2.gz SYUKHLUSVMEKBJ-CVEARBPZSA-N 2 0 264.457 3.443 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400339347 379949152 /nfs/dbraw/zinc/94/91/52/379949152.db2.gz FDFSPPKPQOGXSG-YCPHGPKFSA-N 2 0 268.404 3.488 10 0 CGAERP C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400341738 379949901 /nfs/dbraw/zinc/94/99/01/379949901.db2.gz GWXLZLGQDPISMF-CCGTUFIJSA-N 2 0 272.436 3.300 10 0 CGAERP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381613568 392911855 /nfs/dbraw/zinc/91/18/55/392911855.db2.gz JFMBLSZIENKHPM-AWEZNQCLSA-N 2 0 274.399 3.133 10 0 CGAERP CC(C)CC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCCC1 ZINC000400406247 392947212 /nfs/dbraw/zinc/94/72/12/392947212.db2.gz RURUZXHOOGSCRV-GJZGRUSLSA-N 2 0 252.446 3.181 10 0 CGAERP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248046520 393083632 /nfs/dbraw/zinc/08/36/32/393083632.db2.gz NDJOTPNDDJRAAC-QGPMSJSTSA-N 2 0 290.426 3.488 10 0 CGAERP c1ccc(C[NH2+]CCCC[NH2+]Cc2ccccc2)cc1 ZINC000001691129 296613940 /nfs/dbraw/zinc/61/39/40/296613940.db2.gz IXBTYWVCTCYLJR-UHFFFAOYSA-N 2 0 268.404 3.346 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC000678744201 543552693 /nfs/dbraw/zinc/55/26/93/543552693.db2.gz ZXLJLCHBGCPTSJ-RDJZCZTQSA-N 2 0 260.425 3.438 10 0 CGAERP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125275181 287242066 /nfs/dbraw/zinc/24/20/66/287242066.db2.gz VOVZGZZGOHSCTE-KSZLIROESA-N 2 0 272.436 3.369 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000037208594 173030084 /nfs/dbraw/zinc/03/00/84/173030084.db2.gz RGNCFWUDXCNDLB-HUUCEWRRSA-N 2 0 260.425 3.458 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000037208593 173030532 /nfs/dbraw/zinc/03/05/32/173030532.db2.gz RGNCFWUDXCNDLB-GJZGRUSLSA-N 2 0 260.425 3.458 10 0 CGAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037220249 173037634 /nfs/dbraw/zinc/03/76/34/173037634.db2.gz XUBWQERLBSKCQB-DZGCQCFKSA-N 2 0 280.843 3.202 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC000037259230 173069403 /nfs/dbraw/zinc/06/94/03/173069403.db2.gz AGLRYTKCMMHDTF-CQSZACIVSA-N 2 0 252.446 3.277 10 0 CGAERP [NH3+]CCC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000037299756 173105014 /nfs/dbraw/zinc/10/50/14/173105014.db2.gz BPDXIVOKPYGUQG-UHFFFAOYSA-N 2 0 264.388 3.309 10 0 CGAERP CCC1CCC(C[N@@H+]2CCC[NH2+]C[C@@H](C)C2)CC1 ZINC000045007887 175288699 /nfs/dbraw/zinc/28/86/99/175288699.db2.gz CTSLKGXTUFPWQJ-QQFBHYJXSA-N 2 0 252.446 3.134 10 0 CGAERP C[NH2+][C@@H]1CCN(Cc2c(C)cc(C(C)(C)C)cc2C)C1 ZINC000128087675 287303356 /nfs/dbraw/zinc/30/33/56/287303356.db2.gz JHSQDNAHSAVKJT-MRXNPFEDSA-N 2 0 274.452 3.395 10 0 CGAERP CCC1CCC([N@H+](C)Cc2occc2C[NH3+])CC1 ZINC000052345574 519853402 /nfs/dbraw/zinc/85/34/02/519853402.db2.gz ABKWPERXOKPERT-UHFFFAOYSA-N 2 0 250.386 3.139 10 0 CGAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)CC1CCCCC1 ZINC000052346799 524143596 /nfs/dbraw/zinc/14/35/96/524143596.db2.gz YSUASXYITBZSHH-CQSZACIVSA-N 2 0 252.446 3.419 10 0 CGAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)[C@@H]1CC[NH3+] ZINC000404374383 572331073 /nfs/dbraw/zinc/33/10/73/572331073.db2.gz RSAJFKOHTXZSIU-HZSPNIEDSA-N 2 0 274.399 3.261 10 0 CGAERP Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000227652589 623026774 /nfs/dbraw/zinc/02/67/74/623026774.db2.gz CUXHNAWHBUBFCC-OLZOCXBDSA-N 2 0 255.365 3.083 10 0 CGAERP [NH3+]C[C@H]1CC[C@]2(C1)CCCC[N@@H+]2Cc1ccccc1 ZINC000096897641 185125627 /nfs/dbraw/zinc/12/56/27/185125627.db2.gz NCWVNAPPKVKQQL-IRXDYDNUSA-N 2 0 258.409 3.170 10 0 CGAERP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC)C2)cc1 ZINC000389450587 346572997 /nfs/dbraw/zinc/57/29/97/346572997.db2.gz QCZCMVLUJMFCHH-ZBFHGGJFSA-N 2 0 276.424 3.220 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C(C)(C)C)[C@@H]2C1 ZINC000409430017 346605298 /nfs/dbraw/zinc/60/52/98/346605298.db2.gz KKFLVBXDWQRFCH-ZACQAIPSSA-N 2 0 272.436 3.095 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C3CCCC3)[C@@H]2C1 ZINC000409430172 346605316 /nfs/dbraw/zinc/60/53/16/346605316.db2.gz LPZLQOCSUCFYQY-GUDVDZBRSA-N 2 0 284.447 3.239 10 0 CGAERP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCSc3ccccc32)CC1 ZINC000104137735 185907267 /nfs/dbraw/zinc/90/72/67/185907267.db2.gz VQHNFFPMXWLTDA-IUODEOHRSA-N 2 0 276.449 3.283 10 0 CGAERP CC1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629652739 350731567 /nfs/dbraw/zinc/73/15/67/350731567.db2.gz BLCYYEZXFVICJK-PQAZSJQKSA-N 2 0 292.389 3.272 10 0 CGAERP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000556963505 376913262 /nfs/dbraw/zinc/91/32/62/376913262.db2.gz JTHVIOQRSPUZOG-YRGRVCCFSA-N 2 0 266.816 3.379 10 0 CGAERP C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000562958998 377379386 /nfs/dbraw/zinc/37/93/86/377379386.db2.gz JOBIGGNRDARLNU-OLZOCXBDSA-N 2 0 266.454 3.003 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000575440273 377912568 /nfs/dbraw/zinc/91/25/68/377912568.db2.gz YNQBOOOGEFYGHW-LLVKDONJSA-N 2 0 291.620 3.231 10 0 CGAERP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301233237 392585942 /nfs/dbraw/zinc/58/59/42/392585942.db2.gz KKBZTQWEMVHMIY-OAHLLOKOSA-N 2 0 281.403 3.218 10 0 CGAERP Cc1csc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163160168 392602947 /nfs/dbraw/zinc/60/29/47/392602947.db2.gz ILLTVRZIVUHDJX-GJZGRUSLSA-N 2 0 293.480 3.115 10 0 CGAERP c1csc([C@H]2CCCC[N@H+]2CCCC2CC[NH2+]CC2)n1 ZINC000649412207 393415278 /nfs/dbraw/zinc/41/52/78/393415278.db2.gz WDLQYDDVNBDIPU-OAHLLOKOSA-N 2 0 293.480 3.450 10 0 CGAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC000037210303 173033061 /nfs/dbraw/zinc/03/30/61/173033061.db2.gz DZHYLZXTPJWGRL-NVXWUHKLSA-N 2 0 260.425 3.205 10 0 CGAERP [NH3+][C@H](CCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000071401762 176153912 /nfs/dbraw/zinc/15/39/12/176153912.db2.gz OWVDASWDTBWOKP-QGZVFWFLSA-N 2 0 254.377 3.256 10 0 CGAERP CCc1ccc([C@H](CC[NH3+])C[NH+]2CCCCC2)cc1 ZINC000076671438 177053852 /nfs/dbraw/zinc/05/38/52/177053852.db2.gz COOVSKRHKZCHHV-QGZVFWFLSA-N 2 0 260.425 3.167 10 0 CGAERP C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000665239269 419088467 /nfs/dbraw/zinc/08/84/67/419088467.db2.gz PSBNSZZDHISCCT-NPJQDHAYSA-N 2 0 252.446 3.036 10 0 CGAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657941398 419454918 /nfs/dbraw/zinc/45/49/18/419454918.db2.gz VERLHVPGLAEYQH-RDJZCZTQSA-N 2 0 292.492 3.382 10 0 CGAERP C[C@@H]1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000089611220 260189891 /nfs/dbraw/zinc/18/98/91/260189891.db2.gz ZPXCUJMFIGCELG-INMHGKMJSA-N 2 0 264.457 3.277 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC(C)(C)C1 ZINC000423549442 278995119 /nfs/dbraw/zinc/99/51/19/278995119.db2.gz RZEYDLBONYOBBJ-JKJDWNRSSA-N 2 0 264.457 3.179 10 0 CGAERP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755069 279194238 /nfs/dbraw/zinc/19/42/38/279194238.db2.gz WSVSWNVJNDSSPU-XIRDDKMYSA-N 2 0 260.425 3.361 10 0 CGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000336565811 279655075 /nfs/dbraw/zinc/65/50/75/279655075.db2.gz PFHPSLAHFMKXOZ-WFASDCNBSA-N 2 0 286.410 3.417 10 0 CGAERP CC(C)C[NH2+]Cc1nc(C[N@H+](C)[C@@H](C)C(C)C)cs1 ZINC000052478331 519748398 /nfs/dbraw/zinc/74/83/98/519748398.db2.gz HLZWJOJMLAKIRK-ZDUSSCGKSA-N 2 0 283.485 3.365 10 0 CGAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000052373484 520006121 /nfs/dbraw/zinc/00/61/21/520006121.db2.gz VXCIHLKVJYMQMU-GJZGRUSLSA-N 2 0 260.425 3.417 10 0 CGAERP CCC[NH+](CCC)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052416772 521649023 /nfs/dbraw/zinc/64/90/23/521649023.db2.gz OYCUBAMYHGAJCP-UHFFFAOYSA-N 2 0 267.417 3.042 10 0 CGAERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000052381628 524095556 /nfs/dbraw/zinc/09/55/56/524095556.db2.gz MBFQDRGQEHAENI-AWEZNQCLSA-N 2 0 258.409 3.171 10 0 CGAERP Cc1cc([C@@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000054602724 525443874 /nfs/dbraw/zinc/44/38/74/525443874.db2.gz GCJSKCIBGFUAEV-JZIBPQBNSA-N 2 0 262.397 3.302 10 0 CGAERP [NH3+][C@H]1CCCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096897661 185125404 /nfs/dbraw/zinc/12/54/04/185125404.db2.gz UERIYNRPQKDILW-DLBZAZTESA-N 2 0 258.409 3.170 10 0 CGAERP Cc1cccc2c(NC3CC[NH+](C)CC3)cc[nH+]c12 ZINC000301730842 201164617 /nfs/dbraw/zinc/16/46/17/201164617.db2.gz OZAXRTUTLLLBBU-UHFFFAOYSA-N 2 0 255.365 3.049 10 0 CGAERP Cc1cccc(C2CC([NH2+][C@H](C)CC[NH+](C)C)C2)c1 ZINC000049553933 369409732 /nfs/dbraw/zinc/40/97/32/369409732.db2.gz MOCPGRUMPLUDBL-ODIFPOPNSA-N 2 0 260.425 3.171 10 0 CGAERP C1=CC[C@@]2(CC1)CCC[N@@H+](CCC[NH+]1CCCC1)C2 ZINC000153902061 371797869 /nfs/dbraw/zinc/79/78/69/371797869.db2.gz PKWFQFZJVZKLPC-QGZVFWFLSA-N 2 0 262.441 3.295 10 0 CGAERP CCN1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000328321107 374362690 /nfs/dbraw/zinc/36/26/90/374362690.db2.gz DVFMYMVXMJLDSL-GXTWGEPZSA-N 2 0 280.412 3.046 10 0 CGAERP CCCC[C@H](CC)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000183614172 374434220 /nfs/dbraw/zinc/43/42/20/374434220.db2.gz KPXJNLWTNCZJSE-SJORKVTESA-N 2 0 298.515 3.227 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000556963502 376913707 /nfs/dbraw/zinc/91/37/07/376913707.db2.gz JTHVIOQRSPUZOG-DYEKYZERSA-N 2 0 266.816 3.379 10 0 CGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000246888901 377112248 /nfs/dbraw/zinc/11/22/48/377112248.db2.gz FHADPHCXMYZDIC-FQUUOJAGSA-N 2 0 292.389 3.427 10 0 CGAERP [NH3+]CCC[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000575438258 377909971 /nfs/dbraw/zinc/90/99/71/377909971.db2.gz GHWGOEYOVRNMTR-KRWDZBQOSA-N 2 0 270.376 3.004 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)ccc1Br ZINC000575438913 377911217 /nfs/dbraw/zinc/91/12/17/377911217.db2.gz GUAGADVOZOZZPA-LLVKDONJSA-N 2 0 291.620 3.231 10 0 CGAERP C[C@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000582354459 378306169 /nfs/dbraw/zinc/30/61/69/378306169.db2.gz MFJZSUGTCKEUGV-HOCLYGCPSA-N 2 0 268.404 3.318 10 0 CGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000392232903 379911170 /nfs/dbraw/zinc/91/11/70/379911170.db2.gz SYUKHLUSVMEKBJ-HZPDHXFCSA-N 2 0 264.457 3.443 10 0 CGAERP FC1(F)CCCC[C@H]1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000381615914 392911450 /nfs/dbraw/zinc/91/14/50/392911450.db2.gz QGEVIMTUNIRNLL-AWEZNQCLSA-N 2 0 286.410 3.276 10 0 CGAERP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(C)s1 ZINC000400395892 392947685 /nfs/dbraw/zinc/94/76/85/392947685.db2.gz PEKZVROSJNWWIL-GVXVVHGQSA-N 2 0 252.427 3.014 10 0 CGAERP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089142436 165199175 /nfs/dbraw/zinc/19/91/75/165199175.db2.gz XDQHEVOTOXGOFV-XPKDYRNWSA-N 2 0 280.843 3.378 10 0 CGAERP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000094901349 165394058 /nfs/dbraw/zinc/39/40/58/165394058.db2.gz CTJXKPWNXBKSHA-QGZVFWFLSA-N 2 0 274.452 3.446 10 0 CGAERP Cc1cc2ccccc2nc1N1CCC[C@H](CC[NH3+])C1 ZINC000070073957 416489302 /nfs/dbraw/zinc/48/93/02/416489302.db2.gz MZADCMURUXDELE-CQSZACIVSA-N 2 0 269.392 3.108 10 0 CGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000336565810 279657592 /nfs/dbraw/zinc/65/75/92/279657592.db2.gz PFHPSLAHFMKXOZ-SWLSCSKDSA-N 2 0 286.410 3.417 10 0 CGAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC23CCCC3)C[C@@]1(C)C[NH3+] ZINC000385839344 336157925 /nfs/dbraw/zinc/15/79/25/336157925.db2.gz SEFSSAAAGLTIRO-RBSFLKMASA-N 2 0 250.430 3.016 10 0 CGAERP CC[NH2+]Cc1cc(C[NH+]2CCC(CC)CC2)oc1C ZINC000052346960 519987338 /nfs/dbraw/zinc/98/73/38/519987338.db2.gz NBBSKBVYJQTLOU-UHFFFAOYSA-N 2 0 264.413 3.320 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381320 519730013 /nfs/dbraw/zinc/73/00/13/519730013.db2.gz CKADYKHNAFNDNK-ZDUSSCGKSA-N 2 0 250.386 3.010 10 0 CGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccsc1 ZINC000054628909 519908777 /nfs/dbraw/zinc/90/87/77/519908777.db2.gz HUVVPTGDBIIILS-MQVJKMGUSA-N 2 0 278.465 3.286 10 0 CGAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(C)CC1 ZINC000054626918 519910477 /nfs/dbraw/zinc/91/04/77/519910477.db2.gz ZFOAZAOMNFWQRL-SVFSVNPNSA-N 2 0 250.430 3.170 10 0 CGAERP CC[NH2+]Cc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000052509871 520003333 /nfs/dbraw/zinc/00/33/33/520003333.db2.gz GTIMZQRJZHWHIV-CABCVRRESA-N 2 0 260.425 3.417 10 0 CGAERP CCCOc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000156680686 520451030 /nfs/dbraw/zinc/45/10/30/520451030.db2.gz YFDPKAGVPJVDRT-KRWDZBQOSA-N 2 0 278.440 3.281 10 0 CGAERP CC[N@H+](CCC[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000052764640 521042937 /nfs/dbraw/zinc/04/29/37/521042937.db2.gz DUQNTUKYMAWAEL-ZDUSSCGKSA-N 2 0 252.427 3.102 10 0 CGAERP CCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)c(C)o1 ZINC000052444458 521500838 /nfs/dbraw/zinc/50/08/38/521500838.db2.gz BKNVMXJSCGPINT-UHFFFAOYSA-N 2 0 252.402 3.175 10 0 CGAERP C[NH2+]CCC[C@@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000061822968 521999097 /nfs/dbraw/zinc/99/90/97/521999097.db2.gz MNZVSVKFVIOKOH-OAHLLOKOSA-N 2 0 252.446 3.421 10 0 CGAERP CC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052375397 523268907 /nfs/dbraw/zinc/26/89/07/523268907.db2.gz LJWPJLRNGNVCFG-QGZVFWFLSA-N 2 0 258.409 3.313 10 0 CGAERP C[C@@H](CCC[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000052517096 524457342 /nfs/dbraw/zinc/45/73/42/524457342.db2.gz RUWYPBOGCLZXLY-VIFPVBQESA-N 2 0 291.258 3.070 10 0 CGAERP C[C@H](C[NH2+]C1CC1)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061823017 524478893 /nfs/dbraw/zinc/47/88/93/524478893.db2.gz KMPGCFGIGCGICC-OAHLLOKOSA-N 2 0 264.457 3.421 10 0 CGAERP Cc1cc(C[N@@H+]2CCCSCC2)oc1C[NH2+]C(C)C ZINC000052371212 524681345 /nfs/dbraw/zinc/68/13/45/524681345.db2.gz FNTSVOBOIXCMFM-UHFFFAOYSA-N 2 0 282.453 3.025 10 0 CGAERP C[C@@H]1C[N@H+](CCCCC[NH2+]C(C)(C)C)CC(C)(C)O1 ZINC000052543579 524940903 /nfs/dbraw/zinc/94/09/03/524940903.db2.gz OHRAOMPHVSCLHO-CQSZACIVSA-N 2 0 270.461 3.044 10 0 CGAERP C[C@@H]1c2ccsc2CC[N@H+]1CCCC[NH2+]C1CC1 ZINC000052505228 525735468 /nfs/dbraw/zinc/73/54/68/525735468.db2.gz WNXRKKGPNSKDLR-GFCCVEGCSA-N 2 0 264.438 3.199 10 0 CGAERP Cc1oc(C[NH3+])cc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482317 526770741 /nfs/dbraw/zinc/77/07/41/526770741.db2.gz LDLMYRINFSWCJK-ZIAGYGMSSA-N 2 0 262.397 3.059 10 0 CGAERP CC(C)Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000131759471 528648933 /nfs/dbraw/zinc/64/89/33/528648933.db2.gz CCOINQJASBKZKE-PBHICJAKSA-N 2 0 260.425 3.054 10 0 CGAERP [NH3+]CC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000095934686 185033636 /nfs/dbraw/zinc/03/36/36/185033636.db2.gz BLJAWOMRSNJSGJ-UHFFFAOYSA-N 2 0 295.430 3.092 10 0 CGAERP C[C@H]([NH3+])C1CC[NH+]([C@@H](c2cccs2)C2CC2)CC1 ZINC000104144855 185911256 /nfs/dbraw/zinc/91/12/56/185911256.db2.gz LEXVULMCLFJDPM-XHDPSFHLSA-N 2 0 264.438 3.258 10 0 CGAERP Cc1cccc(C2CC([NH2+]CC3=CC[N@H+](C)CC3)C2)c1 ZINC000364946359 234071137 /nfs/dbraw/zinc/07/11/37/234071137.db2.gz UDYJNKGWCITXJC-UHFFFAOYSA-N 2 0 270.420 3.093 10 0 CGAERP [NH3+]C1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000422855477 283412855 /nfs/dbraw/zinc/41/28/55/283412855.db2.gz VOIMSIOIJKPJFE-ZSVAQUKISA-N 2 0 278.362 3.215 10 0 CGAERP CC[NH+](CC)CCNc1cc[nH+]c2cc(C)ccc12 ZINC000027105401 368868090 /nfs/dbraw/zinc/86/80/90/368868090.db2.gz NRXZRIZWNFFKHT-UHFFFAOYSA-N 2 0 257.381 3.297 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729656 371770368 /nfs/dbraw/zinc/77/03/68/371770368.db2.gz LCNLJXGBDSYJND-ACZWAOPVSA-N 2 0 264.457 3.320 10 0 CGAERP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccn3)CC2)n1 ZINC000159162562 372110426 /nfs/dbraw/zinc/11/04/26/372110426.db2.gz PJNKKNIMPMFMIX-HNNXBMFYSA-N 2 0 296.418 3.105 10 0 CGAERP CCC1(C)CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678212 541982136 /nfs/dbraw/zinc/98/21/36/541982136.db2.gz SDZCVBQESUTHMT-MQVJKMGUSA-N 2 0 264.457 3.419 10 0 CGAERP CCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000246616022 377063015 /nfs/dbraw/zinc/06/30/15/377063015.db2.gz IDLCVYVQESGTNE-HNNXBMFYSA-N 2 0 281.403 3.082 10 0 CGAERP [NH3+]CCCCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000253495983 377695448 /nfs/dbraw/zinc/69/54/48/377695448.db2.gz YHLWVOPUOSODMB-UHFFFAOYSA-N 2 0 269.392 3.264 10 0 CGAERP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755062 379952645 /nfs/dbraw/zinc/95/26/45/379952645.db2.gz WSVSWNVJNDSSPU-PVAVHDDUSA-N 2 0 260.425 3.361 10 0 CGAERP CC[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000080428127 287065175 /nfs/dbraw/zinc/06/51/75/287065175.db2.gz IBSSFHLQUHDEEA-QWHCGFSZSA-N 2 0 252.446 3.464 10 0 CGAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC000037210302 173032698 /nfs/dbraw/zinc/03/26/98/173032698.db2.gz DZHYLZXTPJWGRL-WBVHZDCISA-N 2 0 260.425 3.205 10 0 CGAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC000037257438 173068420 /nfs/dbraw/zinc/06/84/20/173068420.db2.gz GZMLOAUFZAUYAQ-GDBMZVCRSA-N 2 0 252.446 3.277 10 0 CGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1)C[NH+]1CCCCC1 ZINC000038041713 174043587 /nfs/dbraw/zinc/04/35/87/174043587.db2.gz KLZCCGQVXRZWKY-CABCVRRESA-N 2 0 276.424 3.165 10 0 CGAERP CC[N@H+](Cc1ccccc1)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725271153 544115383 /nfs/dbraw/zinc/11/53/83/544115383.db2.gz YAHSBDBVRNRSNP-AQFXKWCLSA-N 2 0 258.409 3.169 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]C1 ZINC000665233583 419086316 /nfs/dbraw/zinc/08/63/16/419086316.db2.gz LBPITKMQCDQKOB-HRCADAONSA-N 2 0 264.457 3.467 10 0 CGAERP C([NH2+]C1CC1)C1(C[NH+]2CCCCCC2)CCCC1 ZINC000051210344 518395038 /nfs/dbraw/zinc/39/50/38/518395038.db2.gz PEPWHQGQWAGBGX-UHFFFAOYSA-N 2 0 250.430 3.175 10 0 CGAERP CCC[NH2+]CCCCC[N@@H+]1CCc2ccccc2C1 ZINC000052419153 519912560 /nfs/dbraw/zinc/91/25/60/519912560.db2.gz LRCLKDDRFZVQRC-UHFFFAOYSA-N 2 0 260.425 3.215 10 0 CGAERP CCC(CC)[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953764 521550753 /nfs/dbraw/zinc/55/07/53/521550753.db2.gz JUAALLXDEPTWDW-HNNXBMFYSA-N 2 0 270.461 3.046 10 0 CGAERP CC[C@@H](C)[N@H+](CCCCC[NH2+]CC(C)C)CCOC ZINC000052547409 522084021 /nfs/dbraw/zinc/08/40/21/522084021.db2.gz VGQSJWYCQJDSPP-MRXNPFEDSA-N 2 0 272.477 3.149 10 0 CGAERP CC(C)CC[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052545964 519650923 /nfs/dbraw/zinc/65/09/23/519650923.db2.gz OCLVVUPZPAGAAG-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP CC(C)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554147 519799567 /nfs/dbraw/zinc/79/95/67/519799567.db2.gz OFIROSGVRQXBGK-TZMCWYRMSA-N 2 0 254.443 3.375 10 0 CGAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC000054628361 519910917 /nfs/dbraw/zinc/91/09/17/519910917.db2.gz HNDAKOSUBWNUNI-MQVJKMGUSA-N 2 0 250.430 3.172 10 0 CGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)CC(C)(C)C ZINC000054629611 521957505 /nfs/dbraw/zinc/95/75/05/521957505.db2.gz BRUIKLPBSVTFBA-AGUYFDCRSA-N 2 0 252.446 3.416 10 0 CGAERP C[C@@H](C1CCCCC1)[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000052342429 524335786 /nfs/dbraw/zinc/33/57/86/524335786.db2.gz JWXJPFDIKBHDNA-KFWWJZLASA-N 2 0 252.446 3.275 10 0 CGAERP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CCC([NH3+])CC1 ZINC000094077600 619227525 /nfs/dbraw/zinc/22/75/25/619227525.db2.gz MYCGVBVESZDPOP-XGNXJENSSA-N 2 0 266.816 3.131 10 0 CGAERP [NH3+]C1CC([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000131797862 346067530 /nfs/dbraw/zinc/06/75/30/346067530.db2.gz IQXVJOQDNCKLMY-UHFFFAOYSA-N 2 0 266.388 3.179 10 0 CGAERP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@@H]3C2)cc1 ZINC000307456239 346462981 /nfs/dbraw/zinc/46/29/81/346462981.db2.gz FJSOKVFGKFUZEU-ROUUACIJSA-N 2 0 284.447 3.383 10 0 CGAERP CCCC1(C[N@H+](C)Cc2scnc2C)CC[NH2+]CC1 ZINC000104444530 186003893 /nfs/dbraw/zinc/00/38/93/186003893.db2.gz AOPYLYNLZPXUOI-UHFFFAOYSA-N 2 0 281.469 3.053 10 0 CGAERP CCc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000092813198 370103695 /nfs/dbraw/zinc/10/36/95/370103695.db2.gz AIMZRXNJIFUOHB-HNNXBMFYSA-N 2 0 299.418 3.479 10 0 CGAERP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000422939195 371881693 /nfs/dbraw/zinc/88/16/93/371881693.db2.gz HXXXFCPYJZDJAH-HNGCFSAESA-N 2 0 250.411 3.072 10 0 CGAERP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301648615 373794436 /nfs/dbraw/zinc/79/44/36/373794436.db2.gz DZYFXXLJGKXXEW-OAHLLOKOSA-N 2 0 283.419 3.464 10 0 CGAERP Cc1csc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245599531 376864164 /nfs/dbraw/zinc/86/41/64/376864164.db2.gz ILLTVRZIVUHDJX-LSDHHAIUSA-N 2 0 293.480 3.115 10 0 CGAERP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000556963499 376912513 /nfs/dbraw/zinc/91/25/13/376912513.db2.gz JTHVIOQRSPUZOG-BZPMIXESSA-N 2 0 266.816 3.379 10 0 CGAERP CC[C@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000188648063 249058608 /nfs/dbraw/zinc/05/86/08/249058608.db2.gz HNACVIWBZVQBOE-DZGCQCFKSA-N 2 0 295.496 3.251 10 0 CGAERP CCN1CCC[C@@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000254970630 377719243 /nfs/dbraw/zinc/71/92/43/377719243.db2.gz IRQFJBBCIINUKY-MLRPBERTSA-N 2 0 258.409 3.164 10 0 CGAERP [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1Cl ZINC000575438474 377911210 /nfs/dbraw/zinc/91/12/10/377911210.db2.gz LBMNDRCAOJTVFK-SECBINFHSA-N 2 0 267.587 3.386 10 0 CGAERP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195248938 542279276 /nfs/dbraw/zinc/27/92/76/542279276.db2.gz HWRJNCCJQWZXCD-AWEZNQCLSA-N 2 0 293.480 3.148 10 0 CGAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000397396304 542617388 /nfs/dbraw/zinc/61/73/88/542617388.db2.gz GMTZSNWUZKZVDR-RFGFWPKPSA-N 2 0 274.399 3.117 10 0 CGAERP FC1(F)CCCC[C@H]1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000381743345 392913840 /nfs/dbraw/zinc/91/38/40/392913840.db2.gz UWYUYUNXCVUKKR-GJZGRUSLSA-N 2 0 286.410 3.276 10 0 CGAERP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400555265 392947488 /nfs/dbraw/zinc/94/74/88/392947488.db2.gz ZAJBDPXXTBIYFL-LZWOXQAQSA-N 2 0 276.424 3.122 10 0 CGAERP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400527088 392948038 /nfs/dbraw/zinc/94/80/38/392948038.db2.gz QLGZILXUKHLDSS-GUTXKFCHSA-N 2 0 276.424 3.189 10 0 CGAERP COc1cccc(C[NH2+]Cc2ccccc2C[NH+](C)C)c1 ZINC000020128554 171015249 /nfs/dbraw/zinc/01/52/49/171015249.db2.gz RSGRMHOUFLVFSV-UHFFFAOYSA-N 2 0 284.403 3.047 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000020128555 171015648 /nfs/dbraw/zinc/01/56/48/171015648.db2.gz BXKSJNUOISSDLU-UHFFFAOYSA-N 2 0 272.367 3.177 10 0 CGAERP CCC(C)(C)C1CCC(C[NH3+])([NH+]2CCCC2)CC1 ZINC000021062761 171297488 /nfs/dbraw/zinc/29/74/88/171297488.db2.gz VEWXHCRLVAUMDB-UHFFFAOYSA-N 2 0 252.446 3.406 10 0 CGAERP C(C[NH2+]C1C2CC3CC(C2)CC1C3)C[NH+]1CCCCC1 ZINC000035163328 172023960 /nfs/dbraw/zinc/02/39/60/172023960.db2.gz YQZBNRYRWFQMKL-UHFFFAOYSA-N 2 0 276.468 3.277 10 0 CGAERP [NH3+]C1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000665283557 419104151 /nfs/dbraw/zinc/10/41/51/419104151.db2.gz QAEZZYXHTRESBQ-UHFFFAOYSA-N 2 0 250.430 3.205 10 0 CGAERP C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000665284058 419105765 /nfs/dbraw/zinc/10/57/65/419105765.db2.gz ZNJYSSPUPPEMLW-PXZKZTPFSA-N 2 0 264.457 3.323 10 0 CGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1)C[NH+]1CCCCC1 ZINC000038041712 278284379 /nfs/dbraw/zinc/28/43/79/278284379.db2.gz KLZCCGQVXRZWKY-GJZGRUSLSA-N 2 0 276.424 3.165 10 0 CGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248388796 281308510 /nfs/dbraw/zinc/30/85/10/281308510.db2.gz FQNCYZQBTWRVMP-HNNXBMFYSA-N 2 0 281.403 3.136 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378751 519730222 /nfs/dbraw/zinc/73/02/22/519730222.db2.gz YCUIXHOKWRPPNI-ZDUSSCGKSA-N 2 0 250.386 3.152 10 0 CGAERP CC(C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000052375678 519747310 /nfs/dbraw/zinc/74/73/10/519747310.db2.gz ZBWJZTYGJCWWEJ-HNNXBMFYSA-N 2 0 260.425 3.417 10 0 CGAERP CC[NH2+]CCCC[N@H+](C)Cc1ccccc1Br ZINC000052541164 519919129 /nfs/dbraw/zinc/91/91/29/519919129.db2.gz VEVZGOQXXWFBMV-UHFFFAOYSA-N 2 0 299.256 3.271 10 0 CGAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]2CC)c(C)o1 ZINC000052375362 519988130 /nfs/dbraw/zinc/98/81/30/519988130.db2.gz KAHKBQNCVZXFDB-CQSZACIVSA-N 2 0 250.386 3.072 10 0 CGAERP CC[NH2+]Cc1ccc(C[NH+]2CCC(C)(CC)CC2)o1 ZINC000062957855 519995505 /nfs/dbraw/zinc/99/55/05/519995505.db2.gz HSXSBOHPECASGG-UHFFFAOYSA-N 2 0 264.413 3.401 10 0 CGAERP CC[N@H+](Cc1cccs1)[C@H](C)CC[NH2+]C1CC1 ZINC000052546465 521410862 /nfs/dbraw/zinc/41/08/62/521410862.db2.gz MEUXCSDEANSUJD-GFCCVEGCSA-N 2 0 252.427 3.101 10 0 CGAERP CC[C@@H](C)[N@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052451158 522084321 /nfs/dbraw/zinc/08/43/21/522084321.db2.gz WAYMOSWCNCVRGX-GFCCVEGCSA-N 2 0 267.417 3.183 10 0 CGAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCCCCC2)oc1C ZINC000052482029 522103141 /nfs/dbraw/zinc/10/31/41/522103141.db2.gz AWTDRWRJAXGYOE-UHFFFAOYSA-N 2 0 264.413 3.462 10 0 CGAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482530 522162967 /nfs/dbraw/zinc/16/29/67/522162967.db2.gz ZEZPPATXDFWNQB-HIFRSBDPSA-N 2 0 262.397 3.154 10 0 CGAERP C[N@H+](CCCC[NH2+]C(C)(C)C)Cc1ccsc1 ZINC000052457051 522735450 /nfs/dbraw/zinc/73/54/50/522735450.db2.gz NKHAYKSEMYDFLU-UHFFFAOYSA-N 2 0 254.443 3.348 10 0 CGAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000052381554 524096677 /nfs/dbraw/zinc/09/66/77/524096677.db2.gz XAERNCYVIAAMDE-AWEZNQCLSA-N 2 0 258.409 3.171 10 0 CGAERP C[C@H](CCC[NH2+]C(C)(C)C)OCC[NH+]1CCCCC1 ZINC000052670978 524141937 /nfs/dbraw/zinc/14/19/37/524141937.db2.gz PPGQRAXTXXDAKL-OAHLLOKOSA-N 2 0 270.461 3.046 10 0 CGAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049554168 524478545 /nfs/dbraw/zinc/47/85/45/524478545.db2.gz ZJAMMZUHYNETKX-CAOSSQGBSA-N 2 0 252.446 3.275 10 0 CGAERP C[C@@H]([NH3+])c1ccc(OCC[C@@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000061699628 525028421 /nfs/dbraw/zinc/02/84/21/525028421.db2.gz ZHIYRLROHZXKBK-YPMHNXCESA-N 2 0 282.815 3.223 10 0 CGAERP Cc1ccc([C@@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602474 525690605 /nfs/dbraw/zinc/69/06/05/525690605.db2.gz IPHGOYJSCPVQCE-RLAWYHOSSA-N 2 0 264.438 3.462 10 0 CGAERP Cc1occc1C[N@@H+](C)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052346584 526825559 /nfs/dbraw/zinc/82/55/59/526825559.db2.gz MFTQEVQISLIVQX-AWEZNQCLSA-N 2 0 266.429 3.434 10 0 CGAERP CCc1nc(CC[NH+](CC)CC)sc1C[NH2+]CC(C)C ZINC000082425777 178001009 /nfs/dbraw/zinc/00/10/09/178001009.db2.gz GUGHTQOFIFXMCX-UHFFFAOYSA-N 2 0 297.512 3.335 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C3CCCC3)[C@H]2C1 ZINC000409430167 346604985 /nfs/dbraw/zinc/60/49/85/346604985.db2.gz LPZLQOCSUCFYQY-CEXWTWQISA-N 2 0 284.447 3.239 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](c3ccccc3)[C@H]2C1 ZINC000409429042 346605256 /nfs/dbraw/zinc/60/52/56/346605256.db2.gz HMADQGVNEBTSJJ-HSALFYBXSA-N 2 0 292.426 3.421 10 0 CGAERP [NH3+]CCCCNc1c2ccccc2[nH+]c2c1CCCCC2 ZINC000584904555 346723685 /nfs/dbraw/zinc/72/36/85/346723685.db2.gz JJLSOWHQOJQSLJ-UHFFFAOYSA-N 2 0 283.419 3.076 10 0 CGAERP [NH3+]CCN1CCCCC[C@H]1c1ccccc1Cl ZINC000616625112 348849901 /nfs/dbraw/zinc/84/99/01/348849901.db2.gz LKRDUIRPZDLZFD-AWEZNQCLSA-N 2 0 252.789 3.216 10 0 CGAERP Cc1cccc2c(NC[C@H](C)[N@@H+]3CCOC[C@@H]3C)cc[nH+]c12 ZINC000301688141 201139514 /nfs/dbraw/zinc/13/95/14/201139514.db2.gz VIJRUQYQLGASAJ-GJZGRUSLSA-N 2 0 299.418 3.064 10 0 CGAERP CC[NH2+]CCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091570 370173374 /nfs/dbraw/zinc/17/33/74/370173374.db2.gz ZYMOGTRWWIVVEO-KRWDZBQOSA-N 2 0 260.425 3.288 10 0 CGAERP CC[NH2+]CCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091569 370173446 /nfs/dbraw/zinc/17/34/46/370173446.db2.gz ZYMOGTRWWIVVEO-QGZVFWFLSA-N 2 0 260.425 3.288 10 0 CGAERP c1cn2c(n1)CC[C@H](C[NH2+][C@@H]1CCC[C@H](C3CC3)C1)C2 ZINC000328625861 374370401 /nfs/dbraw/zinc/37/04/01/374370401.db2.gz DOLYOCWWCWVMTO-VNQPRFMTSA-N 2 0 273.424 3.004 10 0 CGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400719189 392947046 /nfs/dbraw/zinc/94/70/46/392947046.db2.gz OAJBJGPJHJGYBB-GRDNDAEWSA-N 2 0 260.425 3.459 10 0 CGAERP CC[N@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC000020486159 171225304 /nfs/dbraw/zinc/22/53/04/171225304.db2.gz RGPPZQPZNGDWCV-UHFFFAOYSA-N 2 0 254.377 3.167 10 0 CGAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC000037221928 173041316 /nfs/dbraw/zinc/04/13/16/173041316.db2.gz IMOHJWKIRYKCRZ-UKRRQHHQSA-N 2 0 264.388 3.036 10 0 CGAERP [NH3+]CCC[N@H+](CCc1ccccc1)C1CCCCC1 ZINC000037299760 173105644 /nfs/dbraw/zinc/10/56/44/173105644.db2.gz WJPQUBFYVWTMMF-UHFFFAOYSA-N 2 0 260.425 3.213 10 0 CGAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(SC)cc2)C1 ZINC000071142302 176039993 /nfs/dbraw/zinc/03/99/93/176039993.db2.gz AAFLUJGBZULXDN-QWHCGFSZSA-N 2 0 264.438 3.011 10 0 CGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071263501 176096981 /nfs/dbraw/zinc/09/69/81/176096981.db2.gz OVZJIQNGSLXPBI-WBMJQRKESA-N 2 0 264.388 3.295 10 0 CGAERP CC1(C)CC[C@@H]2C[NH2+]CC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000076697660 177060737 /nfs/dbraw/zinc/06/07/37/177060737.db2.gz NKMRDGAVHXSOCS-HZPDHXFCSA-N 2 0 258.409 3.039 10 0 CGAERP Cc1cc2ccccc2nc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070073958 416490632 /nfs/dbraw/zinc/49/06/32/416490632.db2.gz MZADCMURUXDELE-AWEZNQCLSA-N 2 0 269.392 3.108 10 0 CGAERP CCC[NH2+]C[C@H](CC)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482467 519932274 /nfs/dbraw/zinc/93/22/74/519932274.db2.gz LSQISWMAXMPCMO-PMPSAXMXSA-N 2 0 252.446 3.419 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)C2)oc1C ZINC000052381245 519945351 /nfs/dbraw/zinc/94/53/51/519945351.db2.gz IZVLJWRQMOSENA-ZDUSSCGKSA-N 2 0 264.413 3.320 10 0 CGAERP CC(C)(C)[NH2+]Cc1occc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543906 518771309 /nfs/dbraw/zinc/77/13/09/518771309.db2.gz CEYBANGHLIGBHG-GXTWGEPZSA-N 2 0 262.397 3.152 10 0 CGAERP CC(C)C[NH2+]CCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482497 519743812 /nfs/dbraw/zinc/74/38/12/519743812.db2.gz PCPGVCVBNYGOHM-HOTGVXAUSA-N 2 0 252.446 3.277 10 0 CGAERP CC(C)C[NH2+]Cc1occc1C[NH+]1CCCCCC1 ZINC000052382102 519749369 /nfs/dbraw/zinc/74/93/69/519749369.db2.gz HPAUTFQKVJKYNG-UHFFFAOYSA-N 2 0 264.413 3.401 10 0 CGAERP CC(C)[C@@H](C)[N@H+](C)Cc1occc1C[NH2+]C1CC1 ZINC000052478417 519791253 /nfs/dbraw/zinc/79/12/53/519791253.db2.gz LXHOAVVKGHMKGC-GFCCVEGCSA-N 2 0 250.386 3.008 10 0 CGAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000052373485 520005836 /nfs/dbraw/zinc/00/58/36/520005836.db2.gz VXCIHLKVJYMQMU-CABCVRRESA-N 2 0 260.425 3.417 10 0 CGAERP CC[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504331 520010560 /nfs/dbraw/zinc/01/05/60/520010560.db2.gz UCPDZILPOFETCL-GFCCVEGCSA-N 2 0 252.402 3.256 10 0 CGAERP CC[NH2+]Cc1coc(C[N@@H+]2CCC[C@@H](CC)C2)c1 ZINC000052479805 520017469 /nfs/dbraw/zinc/01/74/69/520017469.db2.gz VQWAHJIAOPKMAL-CYBMUJFWSA-N 2 0 250.386 3.011 10 0 CGAERP C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000052371977 521997895 /nfs/dbraw/zinc/99/78/95/521997895.db2.gz KUNISBHNCBLZIA-GFCCVEGCSA-N 2 0 254.805 3.160 10 0 CGAERP CC[C@H](C)[N@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052451162 523933963 /nfs/dbraw/zinc/93/39/63/523933963.db2.gz WAYMOSWCNCVRGX-LBPRGKRZSA-N 2 0 267.417 3.183 10 0 CGAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cscc2C(F)F)[NH2+]1 ZINC000757231362 630590342 /nfs/dbraw/zinc/59/03/42/630590342.db2.gz HLNHJBQISXSNIJ-XLDPMVHQSA-N 2 0 260.353 3.074 10 0 CGAERP CC[NH+](CC)CCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000013526525 344880748 /nfs/dbraw/zinc/88/07/48/344880748.db2.gz CZXWJRBEKBQWJO-UHFFFAOYSA-N 2 0 290.451 3.393 10 0 CGAERP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335399151 375269769 /nfs/dbraw/zinc/26/97/69/375269769.db2.gz MEHVWVFIQIXTPR-UKRRQHHQSA-N 2 0 268.420 3.264 10 0 CGAERP [NH3+]CCC[C@@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000575438016 377909632 /nfs/dbraw/zinc/90/96/32/377909632.db2.gz BTJFTARWZCWBNP-MRXNPFEDSA-N 2 0 270.376 3.004 10 0 CGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149557 165057196 /nfs/dbraw/zinc/05/71/96/165057196.db2.gz YVNANDJTXPQNEB-QGZVFWFLSA-N 2 0 290.451 3.276 10 0 CGAERP CC(C)[NH2+]Cc1sc2ccccc2c1C[NH+](C)C ZINC000045206347 175328503 /nfs/dbraw/zinc/32/85/03/175328503.db2.gz XEDWIAKKZMNXCL-UHFFFAOYSA-N 2 0 262.422 3.461 10 0 CGAERP CCC[NH2+]C1CC[NH+]([C@H](C)Cc2cccs2)CC1 ZINC000071271027 176104349 /nfs/dbraw/zinc/10/43/49/176104349.db2.gz NNCAGZAAKPBVSJ-CYBMUJFWSA-N 2 0 266.454 3.143 10 0 CGAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183138179 270054966 /nfs/dbraw/zinc/05/49/66/270054966.db2.gz NANMBGQONTXKOV-WRNCNIFXSA-N 2 0 284.447 3.285 10 0 CGAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179334 277083979 /nfs/dbraw/zinc/08/39/79/277083979.db2.gz WDPKRDACPDKNDM-FUHWJXTLSA-N 2 0 295.430 3.151 10 0 CGAERP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)CC(C)C ZINC000052449676 521289863 /nfs/dbraw/zinc/28/98/63/521289863.db2.gz PIYUHSDJZNUPRG-UHFFFAOYSA-N 2 0 267.417 3.041 10 0 CGAERP CCCC1CC[NH+](CCCCC[NH2+]C2CC2)CC1 ZINC000052374038 519900957 /nfs/dbraw/zinc/90/09/57/519900957.db2.gz PEJHCDUXCJLHSC-UHFFFAOYSA-N 2 0 252.446 3.421 10 0 CGAERP CC[NH2+]Cc1cc(C[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000052379047 519988525 /nfs/dbraw/zinc/98/85/25/519988525.db2.gz VQVNPTMVLPNWQT-GFCCVEGCSA-N 2 0 250.386 3.072 10 0 CGAERP CCCC[N@H+](Cc1ccc(C[NH2+]C)o1)[C@@H](C)CC ZINC000052372651 520543942 /nfs/dbraw/zinc/54/39/42/520543942.db2.gz BUWWIPAPQOJDLM-ZDUSSCGKSA-N 2 0 252.402 3.400 10 0 CGAERP CCCC[N@H+](Cc1csc(C[NH2+]C)n1)[C@@H](C)CC ZINC000052372551 520550715 /nfs/dbraw/zinc/55/07/15/520550715.db2.gz HDOCPMPHFXZIEP-LBPRGKRZSA-N 2 0 269.458 3.263 10 0 CGAERP CCc1ccccc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000052203133 521840501 /nfs/dbraw/zinc/84/05/01/521840501.db2.gz PUGGSNWXGOCXOI-UHFFFAOYSA-N 2 0 260.425 3.071 10 0 CGAERP C[C@H](CC[NH2+]C1CC1)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052507041 524193321 /nfs/dbraw/zinc/19/33/21/524193321.db2.gz XBRDAUIFLYPCPZ-NEPJUHHUSA-N 2 0 252.427 3.272 10 0 CGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000052381626 524234914 /nfs/dbraw/zinc/23/49/14/524234914.db2.gz MBFQDRGQEHAENI-CQSZACIVSA-N 2 0 258.409 3.171 10 0 CGAERP C[C@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602431 526063946 /nfs/dbraw/zinc/06/39/46/526063946.db2.gz ZJRBKBIQOPJNML-GVZPALNKSA-N 2 0 262.372 3.231 10 0 CGAERP C[C@H](C1CC1)[N@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052479303 526205511 /nfs/dbraw/zinc/20/55/11/526205511.db2.gz TXCUSBBONNHHML-GFCCVEGCSA-N 2 0 264.413 3.398 10 0 CGAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712042040 567836944 /nfs/dbraw/zinc/83/69/44/567836944.db2.gz QHBFNWJXMXCDRW-BBBYJDLNSA-N 2 0 252.446 3.405 10 0 CGAERP CC[N@H+](CCCCCC[NH3+])Cc1cccc(OC)c1 ZINC000138558789 346096756 /nfs/dbraw/zinc/09/67/56/346096756.db2.gz PMRCVUNIRJAIDS-UHFFFAOYSA-N 2 0 264.413 3.036 10 0 CGAERP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](CC2(C)CCCC2)C1 ZINC000104443592 186004328 /nfs/dbraw/zinc/00/43/28/186004328.db2.gz KOWOGOKLGPJYPX-CQSZACIVSA-N 2 0 252.446 3.277 10 0 CGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000246888931 377112490 /nfs/dbraw/zinc/11/24/90/377112490.db2.gz FHADPHCXMYZDIC-SYQHCUMBSA-N 2 0 292.389 3.427 10 0 CGAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248402282 377308453 /nfs/dbraw/zinc/30/84/53/377308453.db2.gz NANMBGQONTXKOV-QTUASDBPSA-N 2 0 284.447 3.285 10 0 CGAERP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958656 377379817 /nfs/dbraw/zinc/37/98/17/377379817.db2.gz JRNOXTCSLCMJTO-IAOVAPTHSA-N 2 0 258.409 3.115 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401051248 379955255 /nfs/dbraw/zinc/95/52/55/379955255.db2.gz YFNYGZPQEGQRCB-SISKNIMQSA-N 2 0 278.484 3.425 10 0 CGAERP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000397396321 542617523 /nfs/dbraw/zinc/61/75/23/542617523.db2.gz GMTZSNWUZKZVDR-ZOBORPQBSA-N 2 0 274.399 3.117 10 0 CGAERP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc[nH+]1 ZINC000162723732 392599470 /nfs/dbraw/zinc/59/94/70/392599470.db2.gz LIFMQNJEENXIKE-BBRMVZONSA-N 2 0 261.413 3.312 10 0 CGAERP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000093465513 165329577 /nfs/dbraw/zinc/32/95/77/165329577.db2.gz BTTQLAVPBRNYPZ-AGIUHOORSA-N 2 0 252.427 3.319 10 0 CGAERP CCCOc1ccc(Cl)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000020967780 171282117 /nfs/dbraw/zinc/28/21/17/171282117.db2.gz NQRJLPZMELNZMS-UHFFFAOYSA-N 2 0 296.842 3.218 10 0 CGAERP COc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)C2CC2)cc1 ZINC000037229516 173050343 /nfs/dbraw/zinc/05/03/43/173050343.db2.gz XNLFQLHPXCXVHT-GOSISDBHSA-N 2 0 288.435 3.222 10 0 CGAERP C[NH2+][C@H]1CCN(Cc2c(C)cc(C(C)(C)C)cc2C)C1 ZINC000128087456 287303456 /nfs/dbraw/zinc/30/34/56/287303456.db2.gz JHSQDNAHSAVKJT-INIZCTEOSA-N 2 0 274.452 3.395 10 0 CGAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000251607507 287835123 /nfs/dbraw/zinc/83/51/23/287835123.db2.gz KUHSVLCJIUZNTL-ARFHVFGLSA-N 2 0 252.446 3.277 10 0 CGAERP CC[NH2+]Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c(C)o1 ZINC000052510323 519991877 /nfs/dbraw/zinc/99/18/77/519991877.db2.gz MHYIZJRTEHANNM-STQMWFEESA-N 2 0 264.413 3.318 10 0 CGAERP CCCCC[N@H+](C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052454714 520151878 /nfs/dbraw/zinc/15/18/78/520151878.db2.gz AUQUDZSDYOYMMM-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CCC[NH2+]C[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517460 519920565 /nfs/dbraw/zinc/92/05/65/519920565.db2.gz UDRBZENLWCVMII-GDBMZVCRSA-N 2 0 252.446 3.277 10 0 CGAERP CCC[NH2+]Cc1nc(C[N@H+](CC)[C@@H](C)CC)cs1 ZINC000052450724 519965353 /nfs/dbraw/zinc/96/53/53/519965353.db2.gz YCIPWNPDDFLKGZ-LBPRGKRZSA-N 2 0 269.458 3.263 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513510 522140715 /nfs/dbraw/zinc/14/07/15/522140715.db2.gz LVWINVBKWOVUMM-GXTWGEPZSA-N 2 0 250.386 3.010 10 0 CGAERP C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1C[NH+]1CCCCC1 ZINC000054559601 522398829 /nfs/dbraw/zinc/39/88/29/522398829.db2.gz KCVJLUKYKUYAEA-OWCLPIDISA-N 2 0 252.446 3.133 10 0 CGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000052379078 524115595 /nfs/dbraw/zinc/11/55/95/524115595.db2.gz BDGNTQIDWNPIMJ-CQSZACIVSA-N 2 0 258.409 3.313 10 0 CGAERP C[C@@H](C1CC1)[N@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052479302 524319485 /nfs/dbraw/zinc/31/94/85/524319485.db2.gz TXCUSBBONNHHML-LBPRGKRZSA-N 2 0 264.413 3.398 10 0 CGAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cccs1 ZINC000052456301 524458949 /nfs/dbraw/zinc/45/89/49/524458949.db2.gz MRPVZVRERCWXOT-LBPRGKRZSA-N 2 0 252.427 3.101 10 0 CGAERP c1ccc(C[N@@H+]2CCCCC[C@]23CCC[NH2+]C3)cc1 ZINC000096884940 185119976 /nfs/dbraw/zinc/11/99/76/185119976.db2.gz WFMZVPRQCMDHBA-QGZVFWFLSA-N 2 0 258.409 3.185 10 0 CGAERP C[C@@H]1Cc2ccsc2C2(CC(C)(C)[NH2+]C(C)(C)C2)[NH2+]1 ZINC000584883863 346721469 /nfs/dbraw/zinc/72/14/69/346721469.db2.gz SHFIORCPCIXCMQ-LLVKDONJSA-N 2 0 278.465 3.418 10 0 CGAERP [NH3+]CCN1CCCCC[C@H]1c1cnc2ccccc2c1 ZINC000616624570 348849923 /nfs/dbraw/zinc/84/99/23/348849923.db2.gz AZABIJZBNDGEDR-KRWDZBQOSA-N 2 0 269.392 3.111 10 0 CGAERP CCC[C@@H](C)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179987003 373950937 /nfs/dbraw/zinc/95/09/37/373950937.db2.gz QNUAYAXNEWNISL-HUUCEWRRSA-N 2 0 261.413 3.252 10 0 CGAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000193477775 375885334 /nfs/dbraw/zinc/88/53/34/375885334.db2.gz YSMKHEMJIYFEEE-INIZCTEOSA-N 2 0 250.430 3.127 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575440023 377910990 /nfs/dbraw/zinc/91/09/90/377910990.db2.gz ZGJDTQGIEOXOBU-VIFPVBQESA-N 2 0 265.159 3.261 10 0 CGAERP C1[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000335334164 392789802 /nfs/dbraw/zinc/78/98/02/392789802.db2.gz XNQLWWSFRWMGID-MRXNPFEDSA-N 2 0 262.441 3.316 10 0 CGAERP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381564173 392911632 /nfs/dbraw/zinc/91/16/32/392911632.db2.gz IMMLKCBGFYYATA-XQQFMLRXSA-N 2 0 260.372 3.014 10 0 CGAERP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381564174 392912039 /nfs/dbraw/zinc/91/20/39/392912039.db2.gz IMMLKCBGFYYATA-YNEHKIRRSA-N 2 0 260.372 3.014 10 0 CGAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381724179 392913550 /nfs/dbraw/zinc/91/35/50/392913550.db2.gz RXRUJJMLHXKEHH-CHWSQXEVSA-N 2 0 260.372 3.015 10 0 CGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400719190 392947297 /nfs/dbraw/zinc/94/72/97/392947297.db2.gz OAJBJGPJHJGYBB-JJRVBVJISA-N 2 0 260.425 3.459 10 0 CGAERP Cc1ccc(SCC[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000261813186 165836912 /nfs/dbraw/zinc/83/69/12/165836912.db2.gz XAHJKVMNYKSIMK-INIZCTEOSA-N 2 0 292.492 3.455 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]CCCc1ccccc1 ZINC000020128670 171015183 /nfs/dbraw/zinc/01/51/83/171015183.db2.gz YLUDPWUAOJOLSM-UHFFFAOYSA-N 2 0 282.431 3.471 10 0 CGAERP CC[NH+](CC)Cc1ccccc1C[NH2+]CCCSC ZINC000020129494 171017826 /nfs/dbraw/zinc/01/78/26/171017826.db2.gz JAIVQXDBQQSWER-UHFFFAOYSA-N 2 0 280.481 3.371 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2ccco2)CC1 ZINC000035738478 172392070 /nfs/dbraw/zinc/39/20/70/172392070.db2.gz RTJDSOXOAWTGLT-CHWSQXEVSA-N 2 0 250.386 3.051 10 0 CGAERP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041714 174042730 /nfs/dbraw/zinc/04/27/30/174042730.db2.gz KLZCCGQVXRZWKY-LSDHHAIUSA-N 2 0 276.424 3.165 10 0 CGAERP Cc1ncsc1C[NH2+]CCC[C@H]([NH3+])c1ccccc1 ZINC000071402121 176154072 /nfs/dbraw/zinc/15/40/72/176154072.db2.gz ORTWJPCIHGJOQF-AWEZNQCLSA-N 2 0 275.421 3.021 10 0 CGAERP C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000229601001 270088518 /nfs/dbraw/zinc/08/85/18/270088518.db2.gz CUFOUKNYPTXTAS-GWCFXTLKSA-N 2 0 275.783 3.441 10 0 CGAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000422686918 289991447 /nfs/dbraw/zinc/99/14/47/289991447.db2.gz BBRLEGOBCVBLRY-STQMWFEESA-N 2 0 260.425 3.243 10 0 CGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC(C)(C)C1 ZINC000423549444 297447553 /nfs/dbraw/zinc/44/75/53/297447553.db2.gz RZEYDLBONYOBBJ-QCODTGAPSA-N 2 0 264.457 3.179 10 0 CGAERP CCC[NH+](CCC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052416654 521649152 /nfs/dbraw/zinc/64/91/52/521649152.db2.gz SOULTPZWVMHHBI-UHFFFAOYSA-N 2 0 269.458 3.263 10 0 CGAERP Cc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000358141754 534034997 /nfs/dbraw/zinc/03/49/97/534034997.db2.gz XFXKQXXMYOCDBH-IBGZPJMESA-N 2 0 295.430 3.279 10 0 CGAERP CC(C)[NH2+]Cc1coc(C[NH+]2CCC(C)CC2)c1 ZINC000052377072 519728610 /nfs/dbraw/zinc/72/86/10/519728610.db2.gz ZIQOCJXGOXRMKD-UHFFFAOYSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)o1 ZINC000052378709 519747245 /nfs/dbraw/zinc/74/72/45/519747245.db2.gz PJBAUGXTRRMWHF-CQSZACIVSA-N 2 0 264.413 3.400 10 0 CGAERP CC(C)[C@H](C)[N@H+](C)Cc1occc1C[NH2+]C1CC1 ZINC000052478418 519811833 /nfs/dbraw/zinc/81/18/33/519811833.db2.gz LXHOAVVKGHMKGC-LBPRGKRZSA-N 2 0 250.386 3.008 10 0 CGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC000054626814 519907195 /nfs/dbraw/zinc/90/71/95/519907195.db2.gz ACBJXGPVIFSJQA-GOOCMWNKSA-N 2 0 278.465 3.286 10 0 CGAERP CCC[NH2+]Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543790 519954302 /nfs/dbraw/zinc/95/43/02/519954302.db2.gz NYAXGFOXDYOIGT-DLBZAZTESA-N 2 0 258.409 3.171 10 0 CGAERP CC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504330 520010840 /nfs/dbraw/zinc/01/08/40/520010840.db2.gz UCPDZILPOFETCL-LBPRGKRZSA-N 2 0 252.402 3.256 10 0 CGAERP C[NH2+]Cc1occc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373611 522165581 /nfs/dbraw/zinc/16/55/81/522165581.db2.gz KKSPAMISYJWEBV-UHFFFAOYSA-N 2 0 264.413 3.257 10 0 CGAERP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052346143 524475771 /nfs/dbraw/zinc/47/57/71/524475771.db2.gz DNXGITSYPLDRRZ-CYBMUJFWSA-N 2 0 266.404 3.282 10 0 CGAERP [NH3+]C[C@H]1CCC[C@@]12CCCC[N@@H+]2Cc1ccccc1 ZINC000096897643 185125394 /nfs/dbraw/zinc/12/53/94/185125394.db2.gz BEEZGAOKPXVTED-SJORKVTESA-N 2 0 258.409 3.170 10 0 CGAERP [NH3+][C@H]1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000096897659 185125723 /nfs/dbraw/zinc/12/57/23/185125723.db2.gz JMNSMUXUZWALHV-IRXDYDNUSA-N 2 0 258.409 3.170 10 0 CGAERP C[C@@H]1CCNC2(CC[NH+](Cc3ccccc3)CC2)S1 ZINC000159181158 346166927 /nfs/dbraw/zinc/16/69/27/346166927.db2.gz ZEYPVRXITZOMKG-CQSZACIVSA-N 2 0 276.449 3.094 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000516044588 296149382 /nfs/dbraw/zinc/14/93/82/296149382.db2.gz JKMDICWAJSSGCT-DYEKYZERSA-N 2 0 266.816 3.379 10 0 CGAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000422742927 371780602 /nfs/dbraw/zinc/78/06/02/371780602.db2.gz HGUICLOVUMBEMY-IUCAKERBSA-N 2 0 273.207 3.252 10 0 CGAERP C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000037141601 541862759 /nfs/dbraw/zinc/86/27/59/541862759.db2.gz RRXXKPYRYVIYIF-UBHSHLNASA-N 2 0 292.389 3.427 10 0 CGAERP c1csc([C@@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)n1 ZINC000179963546 373948442 /nfs/dbraw/zinc/94/84/42/373948442.db2.gz AQLBNTBGECGQKL-CYBMUJFWSA-N 2 0 298.415 3.170 10 0 CGAERP c1csc([C@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)n1 ZINC000179963529 373949078 /nfs/dbraw/zinc/94/90/78/373949078.db2.gz AQLBNTBGECGQKL-ZDUSSCGKSA-N 2 0 298.415 3.170 10 0 CGAERP CCC[C@H](C)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179987019 373949966 /nfs/dbraw/zinc/94/99/66/373949966.db2.gz QNUAYAXNEWNISL-LSDHHAIUSA-N 2 0 261.413 3.252 10 0 CGAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248402283 377307713 /nfs/dbraw/zinc/30/77/13/377307713.db2.gz NANMBGQONTXKOV-SJQORLFUSA-N 2 0 284.447 3.285 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1F ZINC000181375488 542218391 /nfs/dbraw/zinc/21/83/91/542218391.db2.gz PJBYIFWEWALINP-DZGCQCFKSA-N 2 0 264.388 3.269 10 0 CGAERP Cc1cc(Br)cc([C@@H]([NH3+])CCCC[NH3+])c1F ZINC000575439540 377910968 /nfs/dbraw/zinc/91/09/68/377910968.db2.gz FSVXSWYXUBBYHE-NSHDSACASA-N 2 0 289.192 3.025 10 0 CGAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(Br)ccc1Cl ZINC000575440261 377912492 /nfs/dbraw/zinc/91/24/92/377912492.db2.gz XSMBIDVRUYCMBQ-LLVKDONJSA-N 2 0 291.620 3.231 10 0 CGAERP C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400341739 379949280 /nfs/dbraw/zinc/94/92/80/379949280.db2.gz GWXLZLGQDPISMF-FQXVJMBOSA-N 2 0 272.436 3.300 10 0 CGAERP CC[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[C@H]1[NH3+] ZINC000251678353 542347272 /nfs/dbraw/zinc/34/72/72/542347272.db2.gz HUUCXWYFJBZSIS-UKRRQHHQSA-N 2 0 269.392 3.107 10 0 CGAERP c1csc(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000649412030 393415836 /nfs/dbraw/zinc/41/58/36/393415836.db2.gz DRNXILNEUUUPPT-UHFFFAOYSA-N 2 0 293.480 3.102 10 0 CGAERP CC[NH+](CC)CCNc1nc2ccccc2n1C(C)C ZINC000005817566 170142680 /nfs/dbraw/zinc/14/26/80/170142680.db2.gz SZHXDGLMQADJHP-UHFFFAOYSA-N 2 0 274.412 3.371 10 0 CGAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220972 173038926 /nfs/dbraw/zinc/03/89/26/173038926.db2.gz OJZWZBOAEHGRMA-CZUORRHYSA-N 2 0 264.457 3.275 10 0 CGAERP CC[NH+]1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC000037259232 173069430 /nfs/dbraw/zinc/06/94/30/173069430.db2.gz AGLRYTKCMMHDTF-AWEZNQCLSA-N 2 0 252.446 3.277 10 0 CGAERP COc1ccc([C@H](C)[N@@H+]2CC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000076515420 177031021 /nfs/dbraw/zinc/03/10/21/177031021.db2.gz RXKWXLBRBXQWST-LSDHHAIUSA-N 2 0 276.424 3.076 10 0 CGAERP C(C1CCCC1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000178158376 287537684 /nfs/dbraw/zinc/53/76/84/287537684.db2.gz VPBKZIFNSXFCHA-UHFFFAOYSA-N 2 0 276.468 3.419 10 0 CGAERP C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000400336002 274528962 /nfs/dbraw/zinc/52/89/62/274528962.db2.gz DFOYVEKXFGBJLD-MJVIPROJSA-N 2 0 296.867 3.465 10 0 CGAERP CCC1CCC(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000562958367 289746498 /nfs/dbraw/zinc/74/64/98/289746498.db2.gz GSPZZCJAUINGGL-PRLABOORSA-N 2 0 252.446 3.181 10 0 CGAERP [NH3+]C1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000437792633 295212662 /nfs/dbraw/zinc/21/26/62/295212662.db2.gz MBNBLQBEBLAAMC-UHFFFAOYSA-N 2 0 278.362 3.215 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513507 522139607 /nfs/dbraw/zinc/13/96/07/522139607.db2.gz LVWINVBKWOVUMM-JSGCOSHPSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517821 519722294 /nfs/dbraw/zinc/72/22/94/519722294.db2.gz ZQBZZIPSPHFUSK-GDBMZVCRSA-N 2 0 252.446 3.418 10 0 CGAERP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000052381198 519727232 /nfs/dbraw/zinc/72/72/32/519727232.db2.gz YBCKYJJEMGBRKD-OAHLLOKOSA-N 2 0 260.425 3.417 10 0 CGAERP CC[NH2+]C[C@@H](C(C)C)N(Cc1cccs1)C1CC1 ZINC000052370598 519929735 /nfs/dbraw/zinc/92/97/35/519929735.db2.gz ZQQODKFVBVYLLM-HNNXBMFYSA-N 2 0 266.454 3.347 10 0 CGAERP CCC[NH2+]Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543901 519956392 /nfs/dbraw/zinc/95/63/92/519956392.db2.gz HSNMERKAIIACGG-WMLDXEAASA-N 2 0 258.409 3.171 10 0 CGAERP CC[NH2+]Cc1cc(C[N@H+](C)CCC(C)C)c(C)o1 ZINC000052545954 519987572 /nfs/dbraw/zinc/98/75/72/519987572.db2.gz ASTGFEZFMHDYAB-UHFFFAOYSA-N 2 0 252.402 3.175 10 0 CGAERP CC[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420895 520008858 /nfs/dbraw/zinc/00/88/58/520008858.db2.gz SFZVBUYOUFKKMF-HUUCEWRRSA-N 2 0 260.425 3.274 10 0 CGAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+]1CCCC1 ZINC000054559481 520122298 /nfs/dbraw/zinc/12/22/98/520122298.db2.gz OERNEYDTUSDCBH-ARFHVFGLSA-N 2 0 252.446 3.133 10 0 CGAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]CC)oc1C ZINC000052480768 520644883 /nfs/dbraw/zinc/64/48/83/520644883.db2.gz LXLZUXBQQHKWOM-GFCCVEGCSA-N 2 0 252.402 3.318 10 0 CGAERP C[NH2+]CCC[C@H](C)[N@@H+]1CCc2sccc2[C@H]1C ZINC000052505497 521999874 /nfs/dbraw/zinc/99/98/74/521999874.db2.gz JOQHTIOKZHEDFS-NWDGAFQWSA-N 2 0 252.427 3.055 10 0 CGAERP C[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000052371976 522000295 /nfs/dbraw/zinc/00/02/95/522000295.db2.gz KUNISBHNCBLZIA-LBPRGKRZSA-N 2 0 254.805 3.160 10 0 CGAERP C[NH2+]Cc1sc2ccccc2c1C[N@H+](C)C1CC1 ZINC000052445148 522168701 /nfs/dbraw/zinc/16/87/01/522168701.db2.gz XYIISXAGNYIPSP-UHFFFAOYSA-N 2 0 260.406 3.215 10 0 CGAERP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)[C@@H]1CCSC1 ZINC000052453467 523171386 /nfs/dbraw/zinc/17/13/86/523171386.db2.gz SKLAHPUQSHNYNZ-CYBMUJFWSA-N 2 0 282.453 3.105 10 0 CGAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000052206144 523793628 /nfs/dbraw/zinc/79/36/28/523793628.db2.gz ZTEFRFZSOUIEMD-BRWVUGGUSA-N 2 0 258.409 3.007 10 0 CGAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049554170 524479342 /nfs/dbraw/zinc/47/93/42/524479342.db2.gz ZJAMMZUHYNETKX-JONQDZQNSA-N 2 0 252.446 3.275 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159572 525739147 /nfs/dbraw/zinc/73/91/47/525739147.db2.gz GWBIJFCUXKJZQQ-BFHYXJOUSA-N 2 0 266.454 3.437 10 0 CGAERP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000123656022 535062753 /nfs/dbraw/zinc/06/27/53/535062753.db2.gz JHGYQLSMLKWZAD-OAHLLOKOSA-N 2 0 284.831 3.024 10 0 CGAERP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(C)s1 ZINC000400395893 301420344 /nfs/dbraw/zinc/42/03/44/301420344.db2.gz PEKZVROSJNWWIL-MDZLAQPJSA-N 2 0 252.427 3.014 10 0 CGAERP CC1CCC(C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000227329845 138500845 /nfs/dbraw/zinc/50/08/45/138500845.db2.gz HASNWPWIPYQGRY-UHFFFAOYSA-N 2 0 252.446 3.134 10 0 CGAERP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccs1 ZINC000049856271 571984731 /nfs/dbraw/zinc/98/47/31/571984731.db2.gz FWKOHYURJKITQZ-STQMWFEESA-N 2 0 252.427 3.273 10 0 CGAERP Cc1cccc2c(NC[C@@H](C)[N@@H+]3CCOC[C@H]3C)cc[nH+]c12 ZINC000301688142 201141030 /nfs/dbraw/zinc/14/10/30/201141030.db2.gz VIJRUQYQLGASAJ-HUUCEWRRSA-N 2 0 299.418 3.064 10 0 CGAERP CCCc1cc(N2CC[C@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000301799386 201203176 /nfs/dbraw/zinc/20/31/76/201203176.db2.gz RMPLCLBRAKJWPV-HNNXBMFYSA-N 2 0 283.419 3.328 10 0 CGAERP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000302073500 201333232 /nfs/dbraw/zinc/33/32/32/201333232.db2.gz WTRZTJOBRROVEV-FZKQIMNGSA-N 2 0 297.446 3.492 10 0 CGAERP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCCC1 ZINC000423215995 372035988 /nfs/dbraw/zinc/03/59/88/372035988.db2.gz PIIQJXXHQCZGFJ-SLHHOWHOSA-N 2 0 250.430 3.218 10 0 CGAERP CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000159018057 372098653 /nfs/dbraw/zinc/09/86/53/372098653.db2.gz OUZICTNMHWMOIO-GJZGRUSLSA-N 2 0 278.440 3.322 10 0 CGAERP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc[nH+]1 ZINC000302221957 373832985 /nfs/dbraw/zinc/83/29/85/373832985.db2.gz OEPFFIQGXZJSRK-KBXCAEBGSA-N 2 0 296.418 3.108 10 0 CGAERP CCC[N@@H+]1CCCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301684990 373797260 /nfs/dbraw/zinc/79/72/60/373797260.db2.gz UCDGIEXUVNXTDM-UHFFFAOYSA-N 2 0 283.419 3.465 10 0 CGAERP c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246982790 377131251 /nfs/dbraw/zinc/13/12/51/377131251.db2.gz VYGRODUMUMAURC-WMZOPIPTSA-N 2 0 270.420 3.135 10 0 CGAERP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248046525 377261189 /nfs/dbraw/zinc/26/11/89/377261189.db2.gz NDJOTPNDDJRAAC-UWWQBHOKSA-N 2 0 290.426 3.488 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183734 377277668 /nfs/dbraw/zinc/27/76/68/377277668.db2.gz WYIBOLYAQQNSTH-HLLBOEOZSA-N 2 0 289.467 3.316 10 0 CGAERP Cc1cccc(C2CC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000037648922 249002776 /nfs/dbraw/zinc/00/27/76/249002776.db2.gz GDTONSYKMIXSCE-FAEJEUNOSA-N 2 0 284.447 3.315 10 0 CGAERP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000080458948 287065802 /nfs/dbraw/zinc/06/58/02/287065802.db2.gz SSGRIRAZLSESDF-UKRRQHHQSA-N 2 0 252.446 3.418 10 0 CGAERP CCC[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000020189581 171056143 /nfs/dbraw/zinc/05/61/43/171056143.db2.gz WKQWYUAXJJVKBZ-MZBDJJRSSA-N 2 0 252.446 3.275 10 0 CGAERP COc1ccc([C@H](C)[N@@H+]2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000076515283 177030959 /nfs/dbraw/zinc/03/09/59/177030959.db2.gz DSQAGNQVUICDJZ-JKSUJKDBSA-N 2 0 290.451 3.324 10 0 CGAERP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000019963176 278805534 /nfs/dbraw/zinc/80/55/34/278805534.db2.gz UFTAPUVFASTQSW-DZKIICNBSA-N 2 0 252.446 3.275 10 0 CGAERP CCC[NH2+]C[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517462 519932175 /nfs/dbraw/zinc/93/21/75/519932175.db2.gz UDRBZENLWCVMII-GOEBONIOSA-N 2 0 252.446 3.277 10 0 CGAERP CC[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420894 520008491 /nfs/dbraw/zinc/00/84/91/520008491.db2.gz SFZVBUYOUFKKMF-GJZGRUSLSA-N 2 0 260.425 3.274 10 0 CGAERP CC[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571833 520010943 /nfs/dbraw/zinc/01/09/43/520010943.db2.gz LNUYJVBILKUZIM-CYBMUJFWSA-N 2 0 252.402 3.256 10 0 CGAERP CC[NH2+]Cc1coc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1 ZINC000052546806 520017320 /nfs/dbraw/zinc/01/73/20/520017320.db2.gz QHLFEBULQNCZMX-BBRMVZONSA-N 2 0 264.413 3.400 10 0 CGAERP CCCCCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062668347 520080162 /nfs/dbraw/zinc/08/01/62/520080162.db2.gz PVKYMDNVXHPOFX-SFHVURJKSA-N 2 0 274.452 3.473 10 0 CGAERP CCc1ccccc1C[NH2+]CCCC[N@H+](C)C(C)C ZINC000052203200 521838387 /nfs/dbraw/zinc/83/83/87/521838387.db2.gz BFOXFGFCGCIURB-UHFFFAOYSA-N 2 0 262.441 3.459 10 0 CGAERP C[NH2+]CCCCC[N@H+](Cc1cccs1)C(C)C ZINC000052545020 521990957 /nfs/dbraw/zinc/99/09/57/521990957.db2.gz YSMDDMMEWWPPIM-UHFFFAOYSA-N 2 0 254.443 3.348 10 0 CGAERP CC[C@H]1CCCC[N@@H+]1Cc1cc(C[NH2+]C)oc1C ZINC000052447860 523028946 /nfs/dbraw/zinc/02/89/46/523028946.db2.gz AZPNPAWCTMQPBW-AWEZNQCLSA-N 2 0 250.386 3.072 10 0 CGAERP CC[C@H]1CCC[N@H+](Cc2occc2C[NH2+]C(C)C)C1 ZINC000052479682 523092143 /nfs/dbraw/zinc/09/21/43/523092143.db2.gz YWBPISKZAQGWML-AWEZNQCLSA-N 2 0 264.413 3.400 10 0 CGAERP CC[C@H](C)C[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052454224 523870470 /nfs/dbraw/zinc/87/04/70/523870470.db2.gz WIPCISUCQAOVJF-LBPRGKRZSA-N 2 0 260.381 3.369 10 0 CGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccoc2C[NH2+]C2CC2)C1 ZINC000052420661 525386310 /nfs/dbraw/zinc/38/63/10/525386310.db2.gz XPESFFOREZIYAS-BETUJISGSA-N 2 0 262.397 3.010 10 0 CGAERP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000052333423 525637218 /nfs/dbraw/zinc/63/72/18/525637218.db2.gz WJEIHRSDOSNSSD-HOSILWTGSA-N 2 0 252.446 3.274 10 0 CGAERP Cc1ccc([C@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602806 525884701 /nfs/dbraw/zinc/88/47/01/525884701.db2.gz BUDGLFXYQSYFPA-LNRIEFBSSA-N 2 0 258.409 3.400 10 0 CGAERP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128973307 636105645 /nfs/dbraw/zinc/10/56/45/636105645.db2.gz BJSSQLOUZKJREE-TZMCWYRMSA-N 2 0 266.816 3.003 10 0 CGAERP CC[NH+](CC)CCCOC1(c2ccccc2)CC[NH2+]CC1 ZINC000584621251 346695948 /nfs/dbraw/zinc/69/59/48/346695948.db2.gz YUSYOCWEKAEEIB-UHFFFAOYSA-N 2 0 290.451 3.014 10 0 CGAERP Cc1cc(C)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC000123739060 138369995 /nfs/dbraw/zinc/36/99/95/138369995.db2.gz CIFALVXCCWERGD-KRWDZBQOSA-N 2 0 262.441 3.417 10 0 CGAERP C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400751359 299411428 /nfs/dbraw/zinc/41/14/28/299411428.db2.gz VSVKVYLNHVMGQH-NUEKZKHPSA-N 2 0 260.425 3.361 10 0 CGAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000422742928 371779769 /nfs/dbraw/zinc/77/97/69/371779769.db2.gz HGUICLOVUMBEMY-RKDXNWHRSA-N 2 0 273.207 3.252 10 0 CGAERP Cn1ccc2c1[nH+]c1ccccc1c2NCCC[NH+](C)C ZINC000169340344 372629623 /nfs/dbraw/zinc/62/96/23/372629623.db2.gz OKETXQFMFVAWNK-UHFFFAOYSA-N 2 0 282.391 3.090 10 0 CGAERP Fc1ccc(C2CC([NH2+]C[C@@H]3CCc4nccn4C3)C2)cc1 ZINC000328630761 374371121 /nfs/dbraw/zinc/37/11/21/374371121.db2.gz JTBQDEYVTOAHPU-KTAKPFMOSA-N 2 0 299.393 3.120 10 0 CGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000336565809 375836152 /nfs/dbraw/zinc/83/61/52/375836152.db2.gz PFHPSLAHFMKXOZ-IUODEOHRSA-N 2 0 286.410 3.417 10 0 CGAERP C[C@@H]1CCN(Cc2cccnc2Cl)C[C@H]1n1ccnc1 ZINC000245610707 376867071 /nfs/dbraw/zinc/86/70/71/376867071.db2.gz NYWULHFBTMQZCI-TZMCWYRMSA-N 2 0 290.798 3.015 10 0 CGAERP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562958658 377378083 /nfs/dbraw/zinc/37/80/83/377378083.db2.gz JRNOXTCSLCMJTO-RRQGHBQHSA-N 2 0 258.409 3.115 10 0 CGAERP COc1ccc([C@@H](C)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000252733950 377659870 /nfs/dbraw/zinc/65/98/70/377659870.db2.gz XORSHXLWNRMNIC-HOTGVXAUSA-N 2 0 290.451 3.072 10 0 CGAERP CCN1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247231143 285232367 /nfs/dbraw/zinc/23/23/67/285232367.db2.gz YHQQHSJRXAIWDA-WBVHZDCISA-N 2 0 288.435 3.283 10 0 CGAERP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000080458942 287065771 /nfs/dbraw/zinc/06/57/71/287065771.db2.gz SSGRIRAZLSESDF-HIFRSBDPSA-N 2 0 252.446 3.418 10 0 CGAERP C[N@H+](CC[C@@H]([NH3+])c1ccccc1)Cc1cccs1 ZINC000035717764 172371959 /nfs/dbraw/zinc/37/19/59/172371959.db2.gz HQFCWTDEMZHIAJ-OAHLLOKOSA-N 2 0 260.406 3.270 10 0 CGAERP CC(C)[N@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511962 175060666 /nfs/dbraw/zinc/06/06/66/175060666.db2.gz CJIPRHOQJSXUIJ-UHFFFAOYSA-N 2 0 274.330 3.265 10 0 CGAERP CCC[NH2+][C@@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810776 177103304 /nfs/dbraw/zinc/10/33/04/177103304.db2.gz BMJGFONSPWYNCG-LBPRGKRZSA-N 2 0 269.458 3.088 10 0 CGAERP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228471810 262338783 /nfs/dbraw/zinc/33/87/83/262338783.db2.gz VOVZGZZGOHSCTE-RCCFBDPRSA-N 2 0 272.436 3.369 10 0 CGAERP CC[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192850446 270078035 /nfs/dbraw/zinc/07/80/35/270078035.db2.gz WZYKBMNWTTZRLT-GXTWGEPZSA-N 2 0 281.469 3.004 10 0 CGAERP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2c2nccs2)CC[NH2+]1 ZINC000414700706 278011385 /nfs/dbraw/zinc/01/13/85/278011385.db2.gz VBDSMVLEOSQMCF-MCIONIFRSA-N 2 0 279.453 3.058 10 0 CGAERP CC[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482587 519919947 /nfs/dbraw/zinc/91/99/47/519919947.db2.gz UDOOANXJODQKEW-XHSDSOJGSA-N 2 0 252.446 3.419 10 0 CGAERP CCC[NH2+]C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000053031567 519936968 /nfs/dbraw/zinc/93/69/68/519936968.db2.gz UJLWVVLOUFMMKW-OAHLLOKOSA-N 2 0 280.843 3.204 10 0 CGAERP CCCCC[N@H+](Cc1cc(C[NH2+]CC)no1)C(C)C ZINC000052544793 520175374 /nfs/dbraw/zinc/17/53/74/520175374.db2.gz JOINJQWKRSAHBV-UHFFFAOYSA-N 2 0 267.417 3.185 10 0 CGAERP CC[C@H](C1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628624 522087054 /nfs/dbraw/zinc/08/70/54/522087054.db2.gz CTEISPNWFWLRIX-WTXIUTQJSA-N 2 0 250.430 3.299 10 0 CGAERP CC(C)C[NH2+]CCCCC[NH+]1Cc2ccccc2C1 ZINC000052374481 519743140 /nfs/dbraw/zinc/74/31/40/519743140.db2.gz NTRAKCDPGCPHJB-UHFFFAOYSA-N 2 0 260.425 3.418 10 0 CGAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC000052345349 519745765 /nfs/dbraw/zinc/74/57/65/519745765.db2.gz OICJUXTXZWHFQQ-PCKAHOCUSA-N 2 0 254.462 3.379 10 0 CGAERP CCC[N@H+](Cc1c2ccccc2oc1C[NH3+])C1CC1 ZINC000052448986 521680206 /nfs/dbraw/zinc/68/02/06/521680206.db2.gz FQIDOSHUCKAUHD-UHFFFAOYSA-N 2 0 258.365 3.266 10 0 CGAERP C[NH2+]Cc1coc(C[NH+](CC(C)C)CC(C)C)c1 ZINC000052484978 522148114 /nfs/dbraw/zinc/14/81/14/522148114.db2.gz DMCVQTSCMOGKFP-UHFFFAOYSA-N 2 0 252.402 3.113 10 0 CGAERP C[C@@H]1CCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052375985 524261852 /nfs/dbraw/zinc/26/18/52/524261852.db2.gz WZKHPKVWVKFYDD-GFCCVEGCSA-N 2 0 250.386 3.152 10 0 CGAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423485171 526648280 /nfs/dbraw/zinc/64/82/80/526648280.db2.gz ARACCZXSSBZBCS-XQLPTFJDSA-N 2 0 252.446 3.308 10 0 CGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1Cl ZINC000054627702 527147302 /nfs/dbraw/zinc/14/73/02/527147302.db2.gz HACMSILMCBSATJ-AGUYFDCRSA-N 2 0 299.245 3.490 10 0 CGAERP [NH3+]Cc1c2ccccc2oc1C[NH+]1CCCCCC1 ZINC000052381959 527244049 /nfs/dbraw/zinc/24/40/49/527244049.db2.gz OXVYOSBIQLIAHT-UHFFFAOYSA-N 2 0 258.365 3.268 10 0 CGAERP C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)[C@H]1CC[NH3+] ZINC000404374385 572330998 /nfs/dbraw/zinc/33/09/98/572330998.db2.gz RSAJFKOHTXZSIU-MCIONIFRSA-N 2 0 274.399 3.261 10 0 CGAERP c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096950568 185138897 /nfs/dbraw/zinc/13/88/97/185138897.db2.gz KZCKITJHBRAVGV-SJORKVTESA-N 2 0 258.409 3.041 10 0 CGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000170778937 346198529 /nfs/dbraw/zinc/19/85/29/346198529.db2.gz DNEQHEVOGDHSIV-INIZCTEOSA-N 2 0 273.424 3.314 10 0 CGAERP CC(C)[NH+]1CCC(C[NH3+])(CCc2ccccc2)CC1 ZINC000219251634 346294877 /nfs/dbraw/zinc/29/48/77/346294877.db2.gz AURTXOSGMZIDTK-UHFFFAOYSA-N 2 0 260.425 3.069 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400348269 234945494 /nfs/dbraw/zinc/94/54/94/234945494.db2.gz IPEUTFJZIDRVBP-BYNSBNAKSA-N 2 0 252.446 3.179 10 0 CGAERP C[N@@H+]1CCC[C@H]1CCN1CC=C(c2ccccc2F)CC1 ZINC000127617903 138390217 /nfs/dbraw/zinc/39/02/17/138390217.db2.gz GHHPEKBDVOFGRR-INIZCTEOSA-N 2 0 288.410 3.399 10 0 CGAERP C[N@@H+]1CCC[C@@H]1CCN1CC=C(c2ccccc2F)CC1 ZINC000127617671 138390285 /nfs/dbraw/zinc/39/02/85/138390285.db2.gz GHHPEKBDVOFGRR-MRXNPFEDSA-N 2 0 288.410 3.399 10 0 CGAERP COC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423320145 236036671 /nfs/dbraw/zinc/03/66/71/236036671.db2.gz FGUNOMPVOMMFNT-OAHLLOKOSA-N 2 0 296.842 3.007 10 0 CGAERP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301697411 201144587 /nfs/dbraw/zinc/14/45/87/201144587.db2.gz ZRCMAFGMPMBFTL-OAHLLOKOSA-N 2 0 283.419 3.321 10 0 CGAERP CCc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000092813197 370103577 /nfs/dbraw/zinc/10/35/77/370103577.db2.gz AIMZRXNJIFUOHB-OAHLLOKOSA-N 2 0 299.418 3.479 10 0 CGAERP CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000159018316 372098794 /nfs/dbraw/zinc/09/87/94/372098794.db2.gz OUZICTNMHWMOIO-LSDHHAIUSA-N 2 0 278.440 3.322 10 0 CGAERP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000312627403 374286397 /nfs/dbraw/zinc/28/63/97/374286397.db2.gz BNYPYXRBCFPZOK-QAETUUGQSA-N 2 0 272.436 3.342 10 0 CGAERP CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000328364767 374363762 /nfs/dbraw/zinc/36/37/62/374363762.db2.gz QSWHCFFMSDHGPT-RYUDHWBXSA-N 2 0 284.350 3.033 10 0 CGAERP Fc1ccc(C2CC([NH2+]C[C@H]3CCc4nccn4C3)C2)cc1 ZINC000328630760 374371538 /nfs/dbraw/zinc/37/15/38/374371538.db2.gz JTBQDEYVTOAHPU-BZOOQXSSSA-N 2 0 299.393 3.120 10 0 CGAERP CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891757 376020451 /nfs/dbraw/zinc/02/04/51/376020451.db2.gz IWBCWMOFNHGMIF-BXUZGUMPSA-N 2 0 286.341 3.450 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000400323899 379947980 /nfs/dbraw/zinc/94/79/80/379947980.db2.gz BWKWYAJRSCVOMO-DMDPSCGWSA-N 2 0 286.341 3.354 10 0 CGAERP CSc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400442258 379950990 /nfs/dbraw/zinc/95/09/90/379950990.db2.gz OOOBLSMUSUPRTE-SGMGOOAPSA-N 2 0 264.438 3.057 10 0 CGAERP CC1CCC(C[NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000133075116 392463972 /nfs/dbraw/zinc/46/39/72/392463972.db2.gz ZMIRKUBRORHTAZ-UHFFFAOYSA-N 2 0 252.446 3.134 10 0 CGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000037220000 173038061 /nfs/dbraw/zinc/03/80/61/173038061.db2.gz WKSOMWGZWGVZEJ-STQMWFEESA-N 2 0 264.388 3.207 10 0 CGAERP CC(C)(C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086649 175304516 /nfs/dbraw/zinc/30/45/16/175304516.db2.gz QAZQQIPYYNQEHF-OAHLLOKOSA-N 2 0 252.446 3.419 10 0 CGAERP CC[N@H+](Cc1ccc(F)cc1C[NH3+])C1CCCCC1 ZINC000071249922 176095087 /nfs/dbraw/zinc/09/50/87/176095087.db2.gz JCYGNGHXUAHIKD-UHFFFAOYSA-N 2 0 264.388 3.439 10 0 CGAERP CC(C)c1ccc([C@@H](CC[NH3+])C[NH+]2CCCC2)cc1 ZINC000076671441 177053841 /nfs/dbraw/zinc/05/38/41/177053841.db2.gz YUKJCNWIFFJSHD-KRWDZBQOSA-N 2 0 260.425 3.338 10 0 CGAERP CC1(C)CC[C@@H]2C[NH2+]CC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000076697651 177060754 /nfs/dbraw/zinc/06/07/54/177060754.db2.gz NKMRDGAVHXSOCS-CVEARBPZSA-N 2 0 258.409 3.039 10 0 CGAERP Cc1cc(N[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc2[nH+]1 ZINC000038050806 274719307 /nfs/dbraw/zinc/71/93/07/274719307.db2.gz YOMHAMWQUBCLLQ-DZGCQCFKSA-N 2 0 255.365 3.225 10 0 CGAERP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000261558982 276419869 /nfs/dbraw/zinc/41/98/69/276419869.db2.gz ZHFXUKXYKPXXOG-CQSZACIVSA-N 2 0 274.399 3.133 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000400336000 290024162 /nfs/dbraw/zinc/02/41/62/290024162.db2.gz DFOYVEKXFGBJLD-COPLHBTASA-N 2 0 296.867 3.465 10 0 CGAERP CCC[NH2+]CCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517373 519911765 /nfs/dbraw/zinc/91/17/65/519911765.db2.gz JFMNAXWXJNEYTF-MRXNPFEDSA-N 2 0 252.446 3.421 10 0 CGAERP CC[C@@H](C)[N@H+](CC)Cc1occc1C[NH2+]C(C)C ZINC000052450979 522084529 /nfs/dbraw/zinc/08/45/29/522084529.db2.gz CUMFUUYQURGEMG-CYBMUJFWSA-N 2 0 252.402 3.398 10 0 CGAERP CC(C)C1CCC(C[NH3+])([N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000054557123 519561163 /nfs/dbraw/zinc/56/11/63/519561163.db2.gz UWCPWKKQFWQHQZ-JWMHWRSXSA-N 2 0 250.430 3.014 10 0 CGAERP CC(C)C[N@H+](Cc1ccoc1C[NH2+]C1CC1)C1CC1 ZINC000052515741 519718795 /nfs/dbraw/zinc/71/87/95/519718795.db2.gz KXLBXSPBSOZRQR-UHFFFAOYSA-N 2 0 262.397 3.152 10 0 CGAERP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381225 519727757 /nfs/dbraw/zinc/72/77/57/519727757.db2.gz LYRIDEOTCFYALH-CYBMUJFWSA-N 2 0 250.386 3.010 10 0 CGAERP CCC[NH2+]CCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373004 519912199 /nfs/dbraw/zinc/91/21/99/519912199.db2.gz JLMXPUSODCTCHQ-KRWDZBQOSA-N 2 0 260.425 3.256 10 0 CGAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CCOC)C(CC)CC ZINC000052573371 519913560 /nfs/dbraw/zinc/91/35/60/519913560.db2.gz LTXUXSJMAVQACW-OAHLLOKOSA-N 2 0 272.477 3.292 10 0 CGAERP C[NH2+]Cc1ccc(C[N@H+](C)C2CCC(C)CC2)cc1 ZINC000052345444 522117800 /nfs/dbraw/zinc/11/78/00/522117800.db2.gz LVPDQCBZNZSCFY-UHFFFAOYSA-N 2 0 260.425 3.417 10 0 CGAERP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052507039 524498235 /nfs/dbraw/zinc/49/82/35/524498235.db2.gz XBRDAUIFLYPCPZ-RYUDHWBXSA-N 2 0 252.427 3.272 10 0 CGAERP Cc1cc(C[NH+]2CCCCC2)oc1C[NH2+]C(C)C ZINC000052421371 524677273 /nfs/dbraw/zinc/67/72/73/524677273.db2.gz QXZMHNGMZHNZDG-UHFFFAOYSA-N 2 0 250.386 3.072 10 0 CGAERP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[NH2+]C(C)C)s1 ZINC000049534978 526744652 /nfs/dbraw/zinc/74/46/52/526744652.db2.gz UEEQDLMFNGDGPI-LLVKDONJSA-N 2 0 269.458 3.189 10 0 CGAERP COCCC[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178159798 536665784 /nfs/dbraw/zinc/66/57/84/536665784.db2.gz OYDRNEUYPVUNTK-HNNXBMFYSA-N 2 0 282.472 3.046 10 0 CGAERP Cc1cc(N2CCC(CC[NH3+])CC2)c2ccccc2[nH+]1 ZINC000053705788 345124400 /nfs/dbraw/zinc/12/44/00/345124400.db2.gz DPHBWYIQFQFQKH-UHFFFAOYSA-N 2 0 269.392 3.108 10 0 CGAERP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133707185 346078670 /nfs/dbraw/zinc/07/86/70/346078670.db2.gz XBHYNUJWBIQWND-LSDHHAIUSA-N 2 0 276.424 3.267 10 0 CGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)[nH+]1 ZINC000177093015 189028238 /nfs/dbraw/zinc/02/82/38/189028238.db2.gz OAPNGRHORXAJJR-HOTGVXAUSA-N 2 0 296.418 3.280 10 0 CGAERP C[C@@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000400411522 296112950 /nfs/dbraw/zinc/11/29/50/296112950.db2.gz UEGUJJALCYBTQH-OLZOCXBDSA-N 2 0 252.446 3.179 10 0 CGAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000037092476 541861106 /nfs/dbraw/zinc/86/11/06/541861106.db2.gz YALPGVDBLUFAAB-LMWSTFAQSA-N 2 0 292.389 3.427 10 0 CGAERP c1ccc(N[C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000163313714 372461292 /nfs/dbraw/zinc/46/12/92/372461292.db2.gz QPRNPNQEWGDJPJ-GOSISDBHSA-N 2 0 287.451 3.049 10 0 CGAERP COCCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178159811 249053664 /nfs/dbraw/zinc/05/36/64/249053664.db2.gz OYDRNEUYPVUNTK-OAHLLOKOSA-N 2 0 282.472 3.046 10 0 CGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000251187910 377576506 /nfs/dbraw/zinc/57/65/06/377576506.db2.gz YHHWHCDHNCEDAZ-LVQVYYBASA-N 2 0 258.409 3.271 10 0 CGAERP CCC[C@@H](C)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000251699600 377595331 /nfs/dbraw/zinc/59/53/31/377595331.db2.gz IYARSZSWQGSXPQ-AEFFLSMTSA-N 2 0 289.467 3.272 10 0 CGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000392232906 379910596 /nfs/dbraw/zinc/91/05/96/379910596.db2.gz SYUKHLUSVMEKBJ-JKSUJKDBSA-N 2 0 264.457 3.443 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000400323904 379948046 /nfs/dbraw/zinc/94/80/46/379948046.db2.gz BWKWYAJRSCVOMO-LOWVWBTDSA-N 2 0 286.341 3.354 10 0 CGAERP Cc1ccsc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382424893 392920576 /nfs/dbraw/zinc/92/05/76/392920576.db2.gz WCHFGWAEACJJJG-MBNYWOFBSA-N 2 0 252.427 3.034 10 0 CGAERP C[C@H](CCCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311056104 298382565 /nfs/dbraw/zinc/38/25/65/298382565.db2.gz VWQCECGJRFQGAW-IJLUTSLNSA-N 2 0 266.351 3.024 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]CC1CCCCC1 ZINC000020128591 171015685 /nfs/dbraw/zinc/01/56/85/171015685.db2.gz RGCCEUOPKVSYBP-UHFFFAOYSA-N 2 0 260.425 3.418 10 0 CGAERP CCN1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657496835 419294684 /nfs/dbraw/zinc/29/46/84/419294684.db2.gz RRMMQMZCDZFGQS-UYSNPLJNSA-N 2 0 250.430 3.029 10 0 CGAERP CCN1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657496833 419294767 /nfs/dbraw/zinc/29/47/67/419294767.db2.gz RRMMQMZCDZFGQS-GPANFISMSA-N 2 0 250.430 3.029 10 0 CGAERP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000251354214 280283219 /nfs/dbraw/zinc/28/32/19/280283219.db2.gz TUOZXCDYMKBGQI-SJORKVTESA-N 2 0 260.425 3.369 10 0 CGAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC(C)C)C1CC1 ZINC000052515683 519958060 /nfs/dbraw/zinc/95/80/60/519958060.db2.gz BQDSIDHNFBRNIN-UHFFFAOYSA-N 2 0 264.413 3.400 10 0 CGAERP CC[NH2+]Cc1occc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504396 520029458 /nfs/dbraw/zinc/02/94/58/520029458.db2.gz BKOSGZKDKRKKQQ-LBPRGKRZSA-N 2 0 252.402 3.256 10 0 CGAERP CC(C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)o1 ZINC000052381867 519726817 /nfs/dbraw/zinc/72/68/17/519726817.db2.gz FXAFLDPFKZEKKT-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP CCCC[N@H+](CC)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052418736 520478899 /nfs/dbraw/zinc/47/88/99/520478899.db2.gz SKCVAJOJKSQLOU-UHFFFAOYSA-N 2 0 252.402 3.400 10 0 CGAERP CC[N@@H+](Cc1cccs1)C[C@H](C)C[NH2+]C(C)C ZINC000052546313 521407910 /nfs/dbraw/zinc/40/79/10/521407910.db2.gz AXBQUCGPYHPLNR-CYBMUJFWSA-N 2 0 254.443 3.204 10 0 CGAERP C[NH2+]C1CC[NH+]([C@H](c2cccs2)C(C)C)CC1 ZINC000049557864 521954118 /nfs/dbraw/zinc/95/41/18/521954118.db2.gz GKDFANGGXRRQPZ-AWEZNQCLSA-N 2 0 252.427 3.129 10 0 CGAERP CC[C@@H](C)C[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052454429 521971885 /nfs/dbraw/zinc/97/18/85/521971885.db2.gz RMACGFZGVUUIPE-CQSZACIVSA-N 2 0 260.425 3.417 10 0 CGAERP C[NH2+]Cc1occc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513664 522165606 /nfs/dbraw/zinc/16/56/06/522165606.db2.gz DYSLCRFFXWHOBR-JSGCOSHPSA-N 2 0 250.386 3.010 10 0 CGAERP Cc1nc(C)c([C@@H](C)[NH2+]CCCCCCC[NH3+])s1 ZINC000049538797 526744334 /nfs/dbraw/zinc/74/43/34/526744334.db2.gz YWQBCVBYTOPHKZ-LLVKDONJSA-N 2 0 269.458 3.320 10 0 CGAERP C[NH+]1CCN(c2c3ccccc3[nH+]c3c2CCCCC3)CC1 ZINC000005699606 344863028 /nfs/dbraw/zinc/86/30/28/344863028.db2.gz OMJSADBYVOJWEF-UHFFFAOYSA-N 2 0 295.430 3.256 10 0 CGAERP CN1CCN(C2=[NH+]c3sccc3Nc3ccccc32)CC1 ZINC000033868323 344936763 /nfs/dbraw/zinc/93/67/63/344936763.db2.gz RUNDBXBVCLLJEN-UHFFFAOYSA-N 2 0 298.415 3.131 10 0 CGAERP CC[N@H+](CCCCCC[NH3+])Cc1ccccc1OC ZINC000142329310 346111208 /nfs/dbraw/zinc/11/12/08/346111208.db2.gz BODKONQGGOUCAV-UHFFFAOYSA-N 2 0 264.413 3.036 10 0 CGAERP CCCC[C@](C=C=C(C)C)(CC)C[NH2+]CCC[NH2+]CCO ZINC000584603108 346690638 /nfs/dbraw/zinc/69/06/38/346690638.db2.gz MUEQFVXCVYROJL-SFHVURJKSA-N 2 0 296.499 3.256 10 0 CGAERP CC(C)[C@@H](c1ccccc1)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104143576 185909581 /nfs/dbraw/zinc/90/95/81/185909581.db2.gz KBPUNKIEBBACGG-PBHICJAKSA-N 2 0 260.425 3.443 10 0 CGAERP C[C@@H]([NH2+]C1CC(C)(C)CC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000400411518 296112867 /nfs/dbraw/zinc/11/28/67/296112867.db2.gz UEGUJJALCYBTQH-CHWSQXEVSA-N 2 0 252.446 3.179 10 0 CGAERP c1ccc2c(c1)ccc[n+]2CC[n+]1cccc2ccccc21 ZINC000001665865 368427992 /nfs/dbraw/zinc/42/79/92/368427992.db2.gz LEAFAIWNHCOPKB-UHFFFAOYSA-N 2 0 286.378 3.268 10 0 CGAERP FC(F)(F)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000127915206 370957266 /nfs/dbraw/zinc/95/72/66/370957266.db2.gz IRLBTFNPHZSXST-PQAZSJQKSA-N 2 0 290.373 3.324 10 0 CGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000234750061 376620384 /nfs/dbraw/zinc/62/03/84/376620384.db2.gz VBIJUXMYYDHANC-RHSMWYFYSA-N 2 0 278.440 3.215 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522019 376842301 /nfs/dbraw/zinc/84/23/01/376842301.db2.gz LHHROMZZNUGNMK-SJLPKXTDSA-N 2 0 290.426 3.174 10 0 CGAERP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958992 377379966 /nfs/dbraw/zinc/37/99/66/377379966.db2.gz IUAIYCWSNSESDB-PVAVHDDUSA-N 2 0 260.425 3.361 10 0 CGAERP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755065 379952585 /nfs/dbraw/zinc/95/25/85/379952585.db2.gz WSVSWNVJNDSSPU-UAGQMJEPSA-N 2 0 260.425 3.361 10 0 CGAERP C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400341741 533338098 /nfs/dbraw/zinc/33/80/98/533338098.db2.gz GWXLZLGQDPISMF-YKWDICOMSA-N 2 0 272.436 3.300 10 0 CGAERP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400527108 392947526 /nfs/dbraw/zinc/94/75/26/392947526.db2.gz QLGZILXUKHLDSS-YDHLFZDLSA-N 2 0 276.424 3.189 10 0 CGAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648494022 393065070 /nfs/dbraw/zinc/06/50/70/393065070.db2.gz KHDQFQPOCAKBRH-LISAXSMJSA-N 2 0 290.451 3.053 10 0 CGAERP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394678787 397696032 /nfs/dbraw/zinc/69/60/32/397696032.db2.gz XJFZQJZLXJXSCW-KFWWJZLASA-N 2 0 286.410 3.276 10 0 CGAERP C[N@H+](CCOc1ccc2ccccc2c1)CC(C)(C)C[NH3+] ZINC000093874520 165339686 /nfs/dbraw/zinc/33/96/86/165339686.db2.gz JQVJYIQCYAOICO-UHFFFAOYSA-N 2 0 286.419 3.135 10 0 CGAERP C[C@@H]1C[C@@H]2C[C@H]([NH3+])C[C@@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000076697607 177060872 /nfs/dbraw/zinc/06/08/72/177060872.db2.gz SOHNUMCHZVFDCO-PEHHYFEISA-N 2 0 258.409 3.023 10 0 CGAERP C[C@H]([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]C1 ZINC000665233584 419087320 /nfs/dbraw/zinc/08/73/20/419087320.db2.gz LBPITKMQCDQKOB-JYJNAYRXSA-N 2 0 264.457 3.467 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000044515171 270036489 /nfs/dbraw/zinc/03/64/89/270036489.db2.gz CSMAIFYSZRTRIL-HYVNUMGLSA-N 2 0 266.473 3.379 10 0 CGAERP CCS[C@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000153697791 276399898 /nfs/dbraw/zinc/39/98/98/276399898.db2.gz KFDMKXMULHHFOH-HNNXBMFYSA-N 2 0 270.486 3.080 10 0 CGAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580541201 335250195 /nfs/dbraw/zinc/25/01/95/335250195.db2.gz NIERWRUOKGDLKO-FZKCQIBNSA-N 2 0 252.446 3.179 10 0 CGAERP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543802 519747927 /nfs/dbraw/zinc/74/79/27/519747927.db2.gz IYBWSQBRRDWVIK-DZGCQCFKSA-N 2 0 262.397 3.010 10 0 CGAERP CC[NH2+]Cc1coc(C[N@@H+]2CCC[C@H](CC)C2)c1 ZINC000052479806 520018245 /nfs/dbraw/zinc/01/82/45/520018245.db2.gz VQWAHJIAOPKMAL-ZDUSSCGKSA-N 2 0 250.386 3.011 10 0 CGAERP CC[N@H+](Cc1c2ccccc2oc1C[NH2+]C)C1CC1 ZINC000052451932 521279877 /nfs/dbraw/zinc/27/98/77/521279877.db2.gz UFVHRRMMAPMBKB-UHFFFAOYSA-N 2 0 258.365 3.137 10 0 CGAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000052517565 522163334 /nfs/dbraw/zinc/16/33/34/522163334.db2.gz DQVXWXHFDCTRQQ-HNNXBMFYSA-N 2 0 262.397 3.154 10 0 CGAERP CC[C@@H](c1ccc(C)cc1)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063158845 523089155 /nfs/dbraw/zinc/08/91/55/523089155.db2.gz WNQZLEIZISAJOM-KRWDZBQOSA-N 2 0 260.425 3.378 10 0 CGAERP Cc1c[nH+]ccc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000192744400 534712080 /nfs/dbraw/zinc/71/20/80/534712080.db2.gz KQSZPIIXBIHWKO-HNNXBMFYSA-N 2 0 269.392 3.322 10 0 CGAERP [NH3+]CC1CCC2(CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000096897651 185125424 /nfs/dbraw/zinc/12/54/24/185125424.db2.gz DKBZWUNHSVICKY-UHFFFAOYSA-N 2 0 258.409 3.170 10 0 CGAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000123724895 138370103 /nfs/dbraw/zinc/37/01/03/138370103.db2.gz GZSAJGCSWKSHSH-HNNXBMFYSA-N 2 0 284.831 3.024 10 0 CGAERP CC[NH+](CC)CCNc1cc[nH+]c2c(C)cccc12 ZINC000301707832 201151555 /nfs/dbraw/zinc/15/15/55/201151555.db2.gz HAFDXPHSYFTXNU-UHFFFAOYSA-N 2 0 257.381 3.297 10 0 CGAERP C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400751358 299352368 /nfs/dbraw/zinc/35/23/68/299352368.db2.gz VSVKVYLNHVMGQH-IMJJTQAJSA-N 2 0 260.425 3.361 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000400473659 296150840 /nfs/dbraw/zinc/15/08/40/296150840.db2.gz YWRXRYFFRMCNHD-PMUMKWKESA-N 2 0 272.436 3.214 10 0 CGAERP Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000312627401 374286840 /nfs/dbraw/zinc/28/68/40/374286840.db2.gz BNYPYXRBCFPZOK-NXOAAHMSSA-N 2 0 272.436 3.342 10 0 CGAERP CCN1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901187 376374602 /nfs/dbraw/zinc/37/46/02/376374602.db2.gz QHZOKXFGHXUCNZ-IAGOWNOFSA-N 2 0 258.409 3.212 10 0 CGAERP CCCC[C@@H](CC)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248872395 377415786 /nfs/dbraw/zinc/41/57/86/377415786.db2.gz KPXJNLWTNCZJSE-DLBZAZTESA-N 2 0 298.515 3.227 10 0 CGAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399442 379949962 /nfs/dbraw/zinc/94/99/62/379949962.db2.gz KDKVUSHLAZEVQZ-KYOSRNDESA-N 2 0 266.816 3.379 10 0 CGAERP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632151 392883059 /nfs/dbraw/zinc/88/30/59/392883059.db2.gz POBPPEWVYDCBAY-BNOWGMLFSA-N 2 0 298.352 3.260 10 0 CGAERP CCCn1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000091012666 165250424 /nfs/dbraw/zinc/25/04/24/165250424.db2.gz BVRGMSJEEIWEBY-MRXNPFEDSA-N 2 0 277.456 3.110 10 0 CGAERP C[NH+](C)Cc1c2ccccc2sc1C[NH2+]C1CC1 ZINC000045206348 175328430 /nfs/dbraw/zinc/32/84/30/175328430.db2.gz NOGZXGNQZJCXEM-UHFFFAOYSA-N 2 0 260.406 3.215 10 0 CGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071263503 176096917 /nfs/dbraw/zinc/09/69/17/176096917.db2.gz OVZJIQNGSLXPBI-LRDDRELGSA-N 2 0 264.388 3.295 10 0 CGAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401626 176154124 /nfs/dbraw/zinc/15/41/24/176154124.db2.gz JNCKAJAPMQZSPJ-INMHGKMJSA-N 2 0 260.425 3.445 10 0 CGAERP Cc1[nH+]ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000656609607 419186775 /nfs/dbraw/zinc/18/67/75/419186775.db2.gz RCAXOIMODYIZRO-CQSZACIVSA-N 2 0 293.842 3.259 10 0 CGAERP CC(C)C[NH2+]CCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482496 519743657 /nfs/dbraw/zinc/74/36/57/519743657.db2.gz PCPGVCVBNYGOHM-CVEARBPZSA-N 2 0 252.446 3.277 10 0 CGAERP CCC[C@H](C)[N@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052480551 521037005 /nfs/dbraw/zinc/03/70/05/521037005.db2.gz IRRDDTGFRAUXDP-ZDUSSCGKSA-N 2 0 252.402 3.398 10 0 CGAERP CC(C)[N@H+](CCC[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000052764631 519644719 /nfs/dbraw/zinc/64/47/19/519644719.db2.gz CYBNJDFFFZAZCF-CQSZACIVSA-N 2 0 266.454 3.491 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@@H+]2CCCC[C@@H]2C)oc1C ZINC000052378669 519946333 /nfs/dbraw/zinc/94/63/33/519946333.db2.gz XMXFKVGXPNAJDX-ZDUSSCGKSA-N 2 0 264.413 3.462 10 0 CGAERP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478441 519948829 /nfs/dbraw/zinc/94/88/29/519948829.db2.gz BISFVFFWMLISNH-ZDUSSCGKSA-N 2 0 252.402 3.256 10 0 CGAERP CC[NH2+]Cc1ccccc1C[NH+]1CCC(C)(C)CC1 ZINC000061823169 520006619 /nfs/dbraw/zinc/00/66/19/520006619.db2.gz KBJWUNIACHKNLY-UHFFFAOYSA-N 2 0 260.425 3.418 10 0 CGAERP C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)oc1C ZINC000052546641 522103287 /nfs/dbraw/zinc/10/32/87/522103287.db2.gz FVOBXCIFWQHMPX-BLLLJJGKSA-N 2 0 264.413 3.318 10 0 CGAERP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1C ZINC000052375758 522160887 /nfs/dbraw/zinc/16/08/87/522160887.db2.gz CURNAYKMKDSEDX-LBPRGKRZSA-N 2 0 258.365 3.137 10 0 CGAERP CC[C@H](c1ccc(C)cc1)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063158846 522928962 /nfs/dbraw/zinc/92/89/62/522928962.db2.gz WNQZLEIZISAJOM-QGZVFWFLSA-N 2 0 260.425 3.378 10 0 CGAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000052425356 524458323 /nfs/dbraw/zinc/45/83/23/524458323.db2.gz OKOWHWNVCRLXTI-ZDUSSCGKSA-N 2 0 264.388 3.178 10 0 CGAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423485172 526647704 /nfs/dbraw/zinc/64/77/04/526647704.db2.gz ARACCZXSSBZBCS-YJNKXOJESA-N 2 0 252.446 3.308 10 0 CGAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423485170 526648385 /nfs/dbraw/zinc/64/83/85/526648385.db2.gz ARACCZXSSBZBCS-TUVASFSCSA-N 2 0 252.446 3.308 10 0 CGAERP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH2+]C(C)C)s1 ZINC000049534979 526751675 /nfs/dbraw/zinc/75/16/75/526751675.db2.gz UEEQDLMFNGDGPI-NSHDSACASA-N 2 0 269.458 3.189 10 0 CGAERP C[C@H](Cc1ccccc1Cl)[NH2+]C1CCC([NH3+])CC1 ZINC000094077601 619227326 /nfs/dbraw/zinc/22/73/26/619227326.db2.gz MYCGVBVESZDPOP-LMWSTFAQSA-N 2 0 266.816 3.131 10 0 CGAERP CCCc1nc(CC[NH+](CC)CC)sc1C[NH2+]C(C)C ZINC000082428842 178005041 /nfs/dbraw/zinc/00/50/41/178005041.db2.gz CBCURRCDUPTZEU-UHFFFAOYSA-N 2 0 297.512 3.478 10 0 CGAERP CCC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1CCC ZINC000082428843 178005224 /nfs/dbraw/zinc/00/52/24/178005224.db2.gz UCIPIIRBVAXOOY-UHFFFAOYSA-N 2 0 297.512 3.480 10 0 CGAERP c1ccc(C[N@@H+]2CCCCC[C@@]23CCC[NH2+]C3)cc1 ZINC000096884939 185120087 /nfs/dbraw/zinc/12/00/87/185120087.db2.gz WFMZVPRQCMDHBA-KRWDZBQOSA-N 2 0 258.409 3.185 10 0 CGAERP C[NH+](C)CC[C@](C)(C[NH3+])c1cccc2ccccc21 ZINC000584615504 346693624 /nfs/dbraw/zinc/69/36/24/346693624.db2.gz YOEUNBQWGXCUED-QGZVFWFLSA-N 2 0 256.393 3.008 10 0 CGAERP [NH3+]CCN1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616623198 348849104 /nfs/dbraw/zinc/84/91/04/348849104.db2.gz CLJYEEOYHNRQJB-CQSZACIVSA-N 2 0 252.789 3.216 10 0 CGAERP C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400751357 299411438 /nfs/dbraw/zinc/41/14/38/299411438.db2.gz VSVKVYLNHVMGQH-CWRNSKLLSA-N 2 0 260.425 3.361 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729843 371769676 /nfs/dbraw/zinc/76/96/76/371769676.db2.gz LCNLJXGBDSYJND-KFAOIVLFSA-N 2 0 264.457 3.320 10 0 CGAERP CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000328364765 374363510 /nfs/dbraw/zinc/36/35/10/374363510.db2.gz QSWHCFFMSDHGPT-NWDGAFQWSA-N 2 0 284.350 3.033 10 0 CGAERP c1cn2c(n1)CC[C@H](C[NH2+][C@H]1CCC[C@@H](C3CC3)C1)C2 ZINC000328625858 374370234 /nfs/dbraw/zinc/37/02/34/374370234.db2.gz DOLYOCWWCWVMTO-BMFZPTHFSA-N 2 0 273.424 3.004 10 0 CGAERP CC(C)[NH2+]CCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000193488679 375887470 /nfs/dbraw/zinc/88/74/70/375887470.db2.gz LMQCWQVRIOMAFO-HNNXBMFYSA-N 2 0 283.419 3.397 10 0 CGAERP [NH3+]CCC[C@@H]([NH3+])c1c(Cl)ccc(Cl)c1Cl ZINC000575439927 377911054 /nfs/dbraw/zinc/91/10/54/377911054.db2.gz YCROBGQLLQXJBD-MRVPVSSYSA-N 2 0 267.587 3.386 10 0 CGAERP CSc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400442249 379950778 /nfs/dbraw/zinc/95/07/78/379950778.db2.gz OOOBLSMUSUPRTE-OBJOEFQTSA-N 2 0 264.438 3.057 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400456515 533503268 /nfs/dbraw/zinc/50/32/68/533503268.db2.gz QBIYCFBLYQFGES-KXUCPTDWSA-N 2 0 258.818 3.050 10 0 CGAERP Cc1cc(N2CCC[N@@H+](C3CC3)CC2)c2ccccc2[nH+]1 ZINC000171831436 392617414 /nfs/dbraw/zinc/61/74/14/392617414.db2.gz JYNDSMSTRMRDBA-UHFFFAOYSA-N 2 0 281.403 3.218 10 0 CGAERP [NH3+][C@H](CSC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000204950094 392982169 /nfs/dbraw/zinc/98/21/69/392982169.db2.gz CRMSZVVODPFNDK-HZPDHXFCSA-N 2 0 272.417 3.120 10 0 CGAERP CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422757775 393642608 /nfs/dbraw/zinc/64/26/08/393642608.db2.gz MWFIBJYJFPTGSM-KGLIPLIRSA-N 2 0 260.425 3.144 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC000678744202 543552626 /nfs/dbraw/zinc/55/26/26/543552626.db2.gz ZXLJLCHBGCPTSJ-WBVHZDCISA-N 2 0 260.425 3.438 10 0 CGAERP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1C ZINC000678744199 543552634 /nfs/dbraw/zinc/55/26/34/543552634.db2.gz ZXLJLCHBGCPTSJ-DOTOQJQBSA-N 2 0 260.425 3.438 10 0 CGAERP CCCn1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000091009178 165252091 /nfs/dbraw/zinc/25/20/91/165252091.db2.gz CDZVIPFRPHDWAI-MRXNPFEDSA-N 2 0 277.456 3.252 10 0 CGAERP c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000006228345 170184085 /nfs/dbraw/zinc/18/40/85/170184085.db2.gz JHYWCGPUEBZWRW-IRXDYDNUSA-N 2 0 258.409 3.041 10 0 CGAERP Cc1ccsc1C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128587 171015133 /nfs/dbraw/zinc/01/51/33/171015133.db2.gz DIPRSTQFTWNGGA-UHFFFAOYSA-N 2 0 274.433 3.408 10 0 CGAERP C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+](C)C)C1 ZINC000020128579 171015576 /nfs/dbraw/zinc/01/55/76/171015576.db2.gz KNVYDKDYZZTIMO-YOEHRIQHSA-N 2 0 260.425 3.417 10 0 CGAERP C[N@H+](CC[C@H]([NH3+])c1ccccc1)Cc1cccs1 ZINC000035717763 172372098 /nfs/dbraw/zinc/37/20/98/172372098.db2.gz HQFCWTDEMZHIAJ-HNNXBMFYSA-N 2 0 260.406 3.270 10 0 CGAERP CC[N@H+](Cc1cc(C[NH3+])ccc1F)C1CCCC1 ZINC000035765225 172406146 /nfs/dbraw/zinc/40/61/46/172406146.db2.gz JGJYSDUZRKJSTR-UHFFFAOYSA-N 2 0 250.361 3.049 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000037208592 173030823 /nfs/dbraw/zinc/03/08/23/173030823.db2.gz RGNCFWUDXCNDLB-LSDHHAIUSA-N 2 0 260.425 3.458 10 0 CGAERP CCCC[N@H+](Cc1ccc(F)cc1C[NH3+])C1CC1 ZINC000071263339 176096595 /nfs/dbraw/zinc/09/65/95/176096595.db2.gz MCCRKZHZUUTSKC-UHFFFAOYSA-N 2 0 250.361 3.049 10 0 CGAERP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(OC)cc2)C1 ZINC000076515275 177030684 /nfs/dbraw/zinc/03/06/84/177030684.db2.gz SFUVILIFLMDQTE-GJZGRUSLSA-N 2 0 276.424 3.078 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]C1 ZINC000665233582 419086406 /nfs/dbraw/zinc/08/64/06/419086406.db2.gz LBPITKMQCDQKOB-ARFHVFGLSA-N 2 0 264.457 3.467 10 0 CGAERP [NH3+]C1CCC([NH2+]CC(C2CCC2)C2CCC2)CC1 ZINC000530214251 270195790 /nfs/dbraw/zinc/19/57/90/270195790.db2.gz WETRHTRTNHZTFM-UHFFFAOYSA-N 2 0 250.430 3.062 10 0 CGAERP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000530211010 288300365 /nfs/dbraw/zinc/30/03/65/288300365.db2.gz LFIFJIPRMOVBOF-BBRMVZONSA-N 2 0 264.457 3.181 10 0 CGAERP COc1ccc([C@H](C)C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000180054681 295234516 /nfs/dbraw/zinc/23/45/16/295234516.db2.gz AQYPZLLBZXTGAK-OAHLLOKOSA-N 2 0 290.451 3.072 10 0 CGAERP FC1(F)CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000261562465 303126153 /nfs/dbraw/zinc/12/61/53/303126153.db2.gz NYWWAZLBHKNRLZ-ZFWWWQNUSA-N 2 0 286.410 3.276 10 0 CGAERP CCCCC[N@H+](C)Cc1ccoc1C[NH2+]C1CC1 ZINC000052454747 520150931 /nfs/dbraw/zinc/15/09/31/520150931.db2.gz OKFVJVNSPNKZTN-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP C[NH2+]Cc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)o1 ZINC000052373601 522117196 /nfs/dbraw/zinc/11/71/96/522117196.db2.gz ADUKNWIQHUPJSV-UHFFFAOYSA-N 2 0 264.413 3.257 10 0 CGAERP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011172 519723445 /nfs/dbraw/zinc/72/34/45/519723445.db2.gz OCXBLKMSBOEJCS-HNNXBMFYSA-N 2 0 252.446 3.419 10 0 CGAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC000054628024 519910552 /nfs/dbraw/zinc/91/05/52/519910552.db2.gz HAYWIODZXCPBRP-MQVJKMGUSA-N 2 0 250.430 3.172 10 0 CGAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506513 519920543 /nfs/dbraw/zinc/92/05/43/519920543.db2.gz IPZAWKSRUJIUPY-OLZOCXBDSA-N 2 0 254.443 3.377 10 0 CGAERP CCC[NH2+]Cc1oc(C[NH+]2CCCCC2)cc1C ZINC000052421368 519973004 /nfs/dbraw/zinc/97/30/04/519973004.db2.gz DDOHQFCFROUXHE-UHFFFAOYSA-N 2 0 250.386 3.074 10 0 CGAERP CCC(CC)[N@H+](CCOC)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052573315 521559030 /nfs/dbraw/zinc/55/90/30/521559030.db2.gz LOELBONIUAONJI-CQSZACIVSA-N 2 0 272.477 3.148 10 0 CGAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513505 522140290 /nfs/dbraw/zinc/14/02/90/522140290.db2.gz LVWINVBKWOVUMM-OCCSQVGLSA-N 2 0 250.386 3.010 10 0 CGAERP C[C@H]1CC[N@H+](Cc2occc2C[NH2+]C(C)(C)C)C1 ZINC000052484379 524303337 /nfs/dbraw/zinc/30/33/37/524303337.db2.gz FOLVSRVRIAENOL-LBPRGKRZSA-N 2 0 250.386 3.010 10 0 CGAERP Cc1cccc(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)c1 ZINC000062657642 524393542 /nfs/dbraw/zinc/39/35/42/524393542.db2.gz VYYTXAAQRGIPEZ-QGZVFWFLSA-N 2 0 260.425 3.205 10 0 CGAERP [NH3+][C@H]1CCCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096897662 185125602 /nfs/dbraw/zinc/12/56/02/185125602.db2.gz UERIYNRPQKDILW-IRXDYDNUSA-N 2 0 258.409 3.170 10 0 CGAERP c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000096944214 185134433 /nfs/dbraw/zinc/13/44/33/185134433.db2.gz RPRUUYVPWJXKLM-QZTJIDSGSA-N 2 0 272.436 3.288 10 0 CGAERP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C1CCCC1 ZINC000096950670 185140140 /nfs/dbraw/zinc/14/01/40/185140140.db2.gz HCVMPMSCFCCDMW-IRXDYDNUSA-N 2 0 258.409 3.169 10 0 CGAERP COc1ccccc1C[N@H+](CCCCCC[NH3+])C(C)C ZINC000138573389 346096890 /nfs/dbraw/zinc/09/68/90/346096890.db2.gz HTEKEISVZKYHER-UHFFFAOYSA-N 2 0 278.440 3.425 10 0 CGAERP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000629531487 350703924 /nfs/dbraw/zinc/70/39/24/350703924.db2.gz MWVJYJOZPRZIAW-NWDGAFQWSA-N 2 0 262.388 3.036 10 0 CGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)C[NH+]1CCCC1 ZINC000089577071 138343204 /nfs/dbraw/zinc/34/32/04/138343204.db2.gz ANJQXMDXICOKJV-HWOWSKLDSA-N 2 0 252.446 3.134 10 0 CGAERP C[N@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000085636065 370019355 /nfs/dbraw/zinc/01/93/55/370019355.db2.gz NEGROWWDEPKZPQ-BBWFWOEESA-N 2 0 294.483 3.044 10 0 CGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000036953062 541859736 /nfs/dbraw/zinc/85/97/36/541859736.db2.gz FJGOGILYRBPQEF-VXGBXAGGSA-N 2 0 282.378 3.346 10 0 CGAERP CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000159018183 372099387 /nfs/dbraw/zinc/09/93/87/372099387.db2.gz OUZICTNMHWMOIO-HUUCEWRRSA-N 2 0 278.440 3.322 10 0 CGAERP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc[nH+]1 ZINC000162723977 372414210 /nfs/dbraw/zinc/41/42/10/372414210.db2.gz LIFMQNJEENXIKE-CJNGLKHVSA-N 2 0 261.413 3.312 10 0 CGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000434503649 372684549 /nfs/dbraw/zinc/68/45/49/372684549.db2.gz PWWVNYCCFDDUAS-XDXAGZTOSA-N 2 0 287.451 3.192 10 0 CGAERP CCc1nccn1[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000171746656 372820294 /nfs/dbraw/zinc/82/02/94/372820294.db2.gz PCHVWNBXECCQDG-LSDHHAIUSA-N 2 0 259.397 3.191 10 0 CGAERP c1ccc(OC2CCN(CCC[NH+]3CCCC3)CC2)cc1 ZINC000193479140 375885068 /nfs/dbraw/zinc/88/50/68/375885068.db2.gz GLPPFTGGMINDHG-UHFFFAOYSA-N 2 0 288.435 3.016 10 0 CGAERP CCN1CCC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336890930 376021476 /nfs/dbraw/zinc/02/14/76/376021476.db2.gz HZJYTDDPPHXTDO-LSDHHAIUSA-N 2 0 250.430 3.173 10 0 CGAERP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958993 377378921 /nfs/dbraw/zinc/37/89/21/377378921.db2.gz IUAIYCWSNSESDB-UAGQMJEPSA-N 2 0 260.425 3.361 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000400339343 379949161 /nfs/dbraw/zinc/94/91/61/379949161.db2.gz FDFSPPKPQOGXSG-OFQRWUPVSA-N 2 0 268.404 3.488 10 0 CGAERP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400555266 379951450 /nfs/dbraw/zinc/95/14/50/379951450.db2.gz ZAJBDPXXTBIYFL-OFQRWUPVSA-N 2 0 276.424 3.122 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000400726560 379952912 /nfs/dbraw/zinc/95/29/12/379952912.db2.gz HVDIFGLAZXQFJZ-GMXVVIOVSA-N 2 0 297.240 3.098 10 0 CGAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000414789893 380407006 /nfs/dbraw/zinc/40/70/06/380407006.db2.gz FZMAAVQYTFYFER-SKDRFNHKSA-N 2 0 273.207 3.210 10 0 CGAERP Cc1ccccc1[C@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000093248813 397641826 /nfs/dbraw/zinc/64/18/26/397641826.db2.gz COKFFNCBBCXWND-QGZVFWFLSA-N 2 0 254.377 3.023 10 0 CGAERP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](CC)C2)CC1 ZINC000080456524 287065762 /nfs/dbraw/zinc/06/57/62/287065762.db2.gz UNDAGHQAWNSQGG-HOCLYGCPSA-N 2 0 252.446 3.419 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cccs1 ZINC000020128581 171015064 /nfs/dbraw/zinc/01/50/64/171015064.db2.gz MFXOAVOLGMSUCL-UHFFFAOYSA-N 2 0 260.406 3.100 10 0 CGAERP C[C@H](C[NH2+][C@H](C)c1ccc(O)cc1)C[NH+]1CCCCC1 ZINC000038041715 174043583 /nfs/dbraw/zinc/04/35/83/174043583.db2.gz KLZCCGQVXRZWKY-HUUCEWRRSA-N 2 0 276.424 3.165 10 0 CGAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(F)cc1C[NH3+] ZINC000071263506 176097027 /nfs/dbraw/zinc/09/70/27/176097027.db2.gz OVZJIQNGSLXPBI-BLLLJJGKSA-N 2 0 264.388 3.295 10 0 CGAERP c1c2ccccc2[nH]c1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072164230 176330422 /nfs/dbraw/zinc/33/04/22/176330422.db2.gz FPDTXTNYUQSFCH-UHFFFAOYSA-N 2 0 283.419 3.134 10 0 CGAERP CCC[NH2+]Cc1occc1C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000052510005 519972259 /nfs/dbraw/zinc/97/22/59/519972259.db2.gz CMIHZVLUTVIJSX-KBPBESRZSA-N 2 0 264.413 3.400 10 0 CGAERP CC[C@@H](C)C[N@H+](C)Cc1ccoc1C[NH2+]C1CC1 ZINC000052454068 521971455 /nfs/dbraw/zinc/97/14/55/521971455.db2.gz RCBJTSRKOFSUJR-GFCCVEGCSA-N 2 0 250.386 3.010 10 0 CGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000400456513 533975123 /nfs/dbraw/zinc/97/51/23/533975123.db2.gz QBIYCFBLYQFGES-GUBZILKMSA-N 2 0 258.818 3.050 10 0 CGAERP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062668340 519272358 /nfs/dbraw/zinc/27/23/58/519272358.db2.gz GETHGXNSYGEBIN-GOSISDBHSA-N 2 0 274.452 3.329 10 0 CGAERP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCCSCC1 ZINC000052371177 519728026 /nfs/dbraw/zinc/72/80/26/519728026.db2.gz JVQIRHYGKQEHBZ-UHFFFAOYSA-N 2 0 278.465 3.124 10 0 CGAERP CCCCC[N@H+](C)Cc1cc(C[NH2+]C2CC2)co1 ZINC000052454842 520152440 /nfs/dbraw/zinc/15/24/40/520152440.db2.gz VHFLXLRWXOURFQ-UHFFFAOYSA-N 2 0 250.386 3.154 10 0 CGAERP CCCC[NH+](CCCC)Cc1csc(C[NH2+]C)n1 ZINC000052443490 520497088 /nfs/dbraw/zinc/49/70/88/520497088.db2.gz ZDSDGNFCIRCAQB-UHFFFAOYSA-N 2 0 269.458 3.265 10 0 CGAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C)c1 ZINC000054602161 521953576 /nfs/dbraw/zinc/95/35/76/521953576.db2.gz SENHRWUFQCDJJG-ALOPSCKCSA-N 2 0 258.409 3.100 10 0 CGAERP CC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444214 522062454 /nfs/dbraw/zinc/06/24/54/522062454.db2.gz YSJKIOUMECBWBF-CYBMUJFWSA-N 2 0 252.402 3.256 10 0 CGAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517563 522165700 /nfs/dbraw/zinc/16/57/00/522165700.db2.gz DQVXWXHFDCTRQQ-OAHLLOKOSA-N 2 0 262.397 3.154 10 0 CGAERP C[C@@H]1CCC[C@@H]([N@H+](C)CCCCC[NH2+]C2CC2)C1 ZINC000052514023 524300558 /nfs/dbraw/zinc/30/05/58/524300558.db2.gz VDRBDXLYKBZWGM-GDBMZVCRSA-N 2 0 252.446 3.419 10 0 CGAERP Cc1cc(C[N@H+]2CCC[C@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052376223 524689359 /nfs/dbraw/zinc/68/93/59/524689359.db2.gz ISAOAYISSNUCQE-CYBMUJFWSA-N 2 0 264.413 3.460 10 0 CGAERP Cc1ccccc1C[N@H+](C)CCC[C@@H]1CCCC[NH2+]1 ZINC000050953036 525128964 /nfs/dbraw/zinc/12/89/64/525128964.db2.gz FVIPCJWXRUADHJ-KRWDZBQOSA-N 2 0 260.425 3.349 10 0 CGAERP Cc1cc([C@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000054602725 525502277 /nfs/dbraw/zinc/50/22/77/525502277.db2.gz GCJSKCIBGFUAEV-PRTUASRFSA-N 2 0 262.397 3.302 10 0 CGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc2ccccc12 ZINC000054465521 527146733 /nfs/dbraw/zinc/14/67/33/527146733.db2.gz KOJPNFPVFVCYCF-AGUYFDCRSA-N 2 0 272.417 3.355 10 0 CGAERP [NH3+]Cc1sc2cccc(F)c2c1C[NH+]1CCCC1 ZINC000052377415 527268215 /nfs/dbraw/zinc/26/82/15/527268215.db2.gz UVCMMDAVALKLOR-UHFFFAOYSA-N 2 0 264.369 3.095 10 0 CGAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423486756 527810577 /nfs/dbraw/zinc/81/05/77/527810577.db2.gz CDSFRNPXUFKFOG-IBEHDNSVSA-N 2 0 252.446 3.164 10 0 CGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C(C)(C)C)[C@H]2C1 ZINC000409430015 346605162 /nfs/dbraw/zinc/60/51/62/346605162.db2.gz KKFLVBXDWQRFCH-IXDOHACOSA-N 2 0 272.436 3.095 10 0 CGAERP [NH3+]CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000011802578 368596232 /nfs/dbraw/zinc/59/62/32/368596232.db2.gz CWPVEKSQDXKMMW-SFHVURJKSA-N 2 0 266.388 3.135 10 0 CGAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000422855471 371842634 /nfs/dbraw/zinc/84/26/34/371842634.db2.gz VOIMSIOIJKPJFE-IALDZJHCSA-N 2 0 278.362 3.215 10 0 CGAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000575439601 377911008 /nfs/dbraw/zinc/91/10/08/377911008.db2.gz UYCVHFHNWGPCFM-SFHVURJKSA-N 2 0 284.403 3.394 10 0 CGAERP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400535260 379950877 /nfs/dbraw/zinc/95/08/77/379950877.db2.gz SYERMLXAQMWIMP-LZWOXQAQSA-N 2 0 276.424 3.122 10 0 CGAERP C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414863868 380463669 /nfs/dbraw/zinc/46/36/69/380463669.db2.gz YJTBPQLMJJLOOC-BARDWOONSA-N 2 0 252.446 3.179 10 0 CGAERP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195248951 542280116 /nfs/dbraw/zinc/28/01/16/542280116.db2.gz HWRJNCCJQWZXCD-CQSZACIVSA-N 2 0 293.480 3.148 10 0 CGAERP C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000231463469 542304725 /nfs/dbraw/zinc/30/47/25/542304725.db2.gz LYPYNDLGGXOTAD-INIZCTEOSA-N 2 0 258.409 3.138 10 0 CGAERP CCN1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000133036066 285231868 /nfs/dbraw/zinc/23/18/68/285231868.db2.gz SQTUTUYAOJPLSB-NVXWUHKLSA-N 2 0 288.435 3.283 10 0 CGAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381724181 392914086 /nfs/dbraw/zinc/91/40/86/392914086.db2.gz RXRUJJMLHXKEHH-QWHCGFSZSA-N 2 0 260.372 3.015 10 0 CGAERP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CC(C)(C)C1 ZINC000344330289 393042407 /nfs/dbraw/zinc/04/24/07/393042407.db2.gz OAXCOMQKVQGNFK-UKRRQHHQSA-N 2 0 250.430 3.053 10 0 CGAERP C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000667030926 542838491 /nfs/dbraw/zinc/83/84/91/542838491.db2.gz FPERNNZGLUMERO-YCPHGPKFSA-N 2 0 252.446 3.323 10 0 CGAERP CC(C)(C)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000079356342 287055668 /nfs/dbraw/zinc/05/56/68/287055668.db2.gz VNFBWJOBVVNKKH-GOEBONIOSA-N 2 0 252.446 3.134 10 0 CGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070149558 165059684 /nfs/dbraw/zinc/05/96/84/165059684.db2.gz YVNANDJTXPQNEB-KRWDZBQOSA-N 2 0 290.451 3.276 10 0 CGAERP C[NH+](C)Cc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000020128665 171015487 /nfs/dbraw/zinc/01/54/87/171015487.db2.gz CBYJURFHSJLYMG-HNNXBMFYSA-N 2 0 258.409 3.194 10 0 CGAERP Cc1cccc(C[NH2+]Cc2ccccc2C[NH+](C)C)c1 ZINC000020128559 171015714 /nfs/dbraw/zinc/01/57/14/171015714.db2.gz SYQUAPQOMYWHBW-UHFFFAOYSA-N 2 0 268.404 3.346 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCc2cccs2)CC1 ZINC000037210064 173031989 /nfs/dbraw/zinc/03/19/89/173031989.db2.gz UOCJSYAPIBTIFH-CYBMUJFWSA-N 2 0 266.454 3.001 10 0 CGAERP CC[NH+](CC)C[C@@H](C[NH3+])c1c(C)c(C)cc(C)c1C ZINC000041355255 174533015 /nfs/dbraw/zinc/53/30/15/174533015.db2.gz IRCGAMZMPXRKIL-MRXNPFEDSA-N 2 0 262.441 3.304 10 0 CGAERP Cc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)c2ccccc2[nH+]1 ZINC000261721665 274710981 /nfs/dbraw/zinc/71/09/81/274710981.db2.gz KKCXZXOELKXRDS-INIZCTEOSA-N 2 0 269.392 3.107 10 0 CGAERP C[NH2+]Cc1sc2ccccc2c1C[NH+]1CCCC1 ZINC000045206363 277288264 /nfs/dbraw/zinc/28/82/64/277288264.db2.gz MLRKNUFJEMLJPA-UHFFFAOYSA-N 2 0 260.406 3.217 10 0 CGAERP CC(C)(C)C1CCC(C[NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000398341573 288043234 /nfs/dbraw/zinc/04/32/34/288043234.db2.gz VGUFEHOZWJFBCM-SLTAFYQDSA-N 2 0 252.446 3.038 10 0 CGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185300082 281308535 /nfs/dbraw/zinc/30/85/35/281308535.db2.gz FQNCYZQBTWRVMP-OAHLLOKOSA-N 2 0 281.403 3.136 10 0 CGAERP COc1ccc([C@@H](C)C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000180054667 295204693 /nfs/dbraw/zinc/20/46/93/295204693.db2.gz AQYPZLLBZXTGAK-HNNXBMFYSA-N 2 0 290.451 3.072 10 0 CGAERP CCc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000385612694 336152842 /nfs/dbraw/zinc/15/28/42/336152842.db2.gz OAFGZXGIIIGOIG-TYNCELHUSA-N 2 0 266.454 3.288 10 0 CGAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000386071669 336165800 /nfs/dbraw/zinc/16/58/00/336165800.db2.gz ZVDBIJDMLKOGMU-WUHRBBMRSA-N 2 0 278.362 3.228 10 0 CGAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419144 519721287 /nfs/dbraw/zinc/72/12/87/519721287.db2.gz DCFZMHFOWSCSKN-HNNXBMFYSA-N 2 0 260.425 3.211 10 0 CGAERP CCC[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011170 519922908 /nfs/dbraw/zinc/92/29/08/519922908.db2.gz RASNVGXHJGLKCA-HNNXBMFYSA-N 2 0 252.446 3.421 10 0 CGAERP CC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571832 520010182 /nfs/dbraw/zinc/01/01/82/520010182.db2.gz LNUYJVBILKUZIM-ZDUSSCGKSA-N 2 0 252.402 3.256 10 0 CGAERP CC(C)C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517417 519745783 /nfs/dbraw/zinc/74/57/83/519745783.db2.gz JFSQPSFWCPVKFR-GOEBONIOSA-N 2 0 252.446 3.275 10 0 CGAERP CCCC1CC[NH+](CC2(C[NH3+])CCCCC2)CC1 ZINC000051249468 519901051 /nfs/dbraw/zinc/90/10/51/519901051.db2.gz CVEMODXGJKKOJU-UHFFFAOYSA-N 2 0 252.446 3.408 10 0 CGAERP CCCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)oc1C ZINC000052418064 520421486 /nfs/dbraw/zinc/42/14/86/520421486.db2.gz JZHMXJZBULFKMA-UHFFFAOYSA-N 2 0 252.402 3.318 10 0 CGAERP C[NH2+]C1CC[NH+]([C@@H](c2cccs2)C(C)C)CC1 ZINC000049557865 521953020 /nfs/dbraw/zinc/95/30/20/521953020.db2.gz GKDFANGGXRRQPZ-CQSZACIVSA-N 2 0 252.427 3.129 10 0 CGAERP C[C@@H]1CCC[N@H+](Cc2occc2C[NH2+]C2CC2)[C@@H]1C ZINC000052373274 524238292 /nfs/dbraw/zinc/23/82/92/524238292.db2.gz JZQUWBDMZHWLOQ-CHWSQXEVSA-N 2 0 262.397 3.152 10 0 CGAERP Cc1oc(C[N@H+](C)CC2CCCCC2)cc1C[NH3+] ZINC000052346748 526769959 /nfs/dbraw/zinc/76/99/59/526769959.db2.gz RHAPZEZZJHUZCE-UHFFFAOYSA-N 2 0 250.386 3.059 10 0 CGAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712085629 567837332 /nfs/dbraw/zinc/83/73/32/567837332.db2.gz MWAOGLCFTKDZFO-ZDUSSCGKSA-N 2 0 252.446 3.403 10 0 CGAERP Cc1cc(-c2cccc(C[NH3+])c2)c(F)cc1[C@@H](C)[NH3+] ZINC000757570382 630509669 /nfs/dbraw/zinc/50/96/69/630509669.db2.gz DQQSUFDEYMUKQZ-LLVKDONJSA-N 2 0 258.340 3.280 10 0 CGAERP [NH3+]C[C@H]1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000096897653 185126212 /nfs/dbraw/zinc/12/62/12/185126212.db2.gz KXNLFCZRNINQHM-IRXDYDNUSA-N 2 0 258.409 3.170 10 0 CGAERP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000094080462 345894984 /nfs/dbraw/zinc/89/49/84/345894984.db2.gz BIAYAQSEPXNQKR-NFOMZHRRSA-N 2 0 276.424 3.394 10 0 CGAERP Cc1cc2ccccc2nc1NC[C@]1(C)CCC[NH2+]C1 ZINC000129341049 346048225 /nfs/dbraw/zinc/04/82/25/346048225.db2.gz MDLJSTYVZPVDKV-QGZVFWFLSA-N 2 0 269.392 3.345 10 0 CGAERP C[NH+](C)CCC[C@H](C[NH3+])c1cccc2ccccc21 ZINC000584615912 346693719 /nfs/dbraw/zinc/69/37/19/346693719.db2.gz UUJRFPVAFSVRSD-OAHLLOKOSA-N 2 0 256.393 3.224 10 0 CGAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)C[NH+]1CCCC1 ZINC000089577073 138343333 /nfs/dbraw/zinc/34/33/33/138343333.db2.gz ANJQXMDXICOKJV-PCKAHOCUSA-N 2 0 252.446 3.134 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000036959963 369043200 /nfs/dbraw/zinc/04/32/00/369043200.db2.gz RHJQSNWXBNCAMW-CQSZACIVSA-N 2 0 285.391 3.303 10 0 CGAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000037644357 369094976 /nfs/dbraw/zinc/09/49/76/369094976.db2.gz OIJUTKHGSXNHKP-BZOOQXSSSA-N 2 0 276.399 3.003 10 0 CGAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414863873 296165987 /nfs/dbraw/zinc/16/59/87/296165987.db2.gz YJTBPQLMJJLOOC-TUVASFSCSA-N 2 0 252.446 3.179 10 0 CGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729842 371770170 /nfs/dbraw/zinc/77/01/70/371770170.db2.gz LCNLJXGBDSYJND-ATTSAYNDSA-N 2 0 264.457 3.320 10 0 CGAERP Cn1ccnc1CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000171600205 372793508 /nfs/dbraw/zinc/79/35/08/372793508.db2.gz JXSKKASHNODIRJ-UHFFFAOYSA-N 2 0 287.382 3.014 10 0 CGAERP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309814445 374200010 /nfs/dbraw/zinc/20/00/10/374200010.db2.gz XLILZAXXWNGGPK-RXABAKJHSA-N 2 0 284.447 3.285 10 0 CGAERP Fc1ccc(F)c([C@@H]2CCC[N@H+](CCn3ccnc3)C2)c1 ZINC000191675468 375651076 /nfs/dbraw/zinc/65/10/76/375651076.db2.gz GXNVDGNDBPLYCM-CYBMUJFWSA-N 2 0 291.345 3.041 10 0 CGAERP CC1CCC(C[NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000227506094 376397021 /nfs/dbraw/zinc/39/70/21/376397021.db2.gz GCCJWKRIDUFPSD-CKUJCDMFSA-N 2 0 250.430 3.029 10 0 CGAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(C)c3)C2)C1 ZINC000037644383 249002961 /nfs/dbraw/zinc/00/29/61/249002961.db2.gz PBIJIZOMTKTLJD-FAEJEUNOSA-N 2 0 272.436 3.172 10 0 CGAERP CCC1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000165983622 542173705 /nfs/dbraw/zinc/17/37/05/542173705.db2.gz KNOZRBCLYLXCFF-SLTXQBBLSA-N 2 0 252.446 3.275 10 0 CGAERP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2c2nccs2)CC[NH2+]1 ZINC000414700707 380379808 /nfs/dbraw/zinc/37/98/08/380379808.db2.gz VBDSMVLEOSQMCF-MGPQQGTHSA-N 2 0 279.453 3.058 10 0 CGAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000224100710 542289748 /nfs/dbraw/zinc/28/97/48/542289748.db2.gz RRXXKPYRYVIYIF-YUTCNCBUSA-N 2 0 292.389 3.427 10 0 CGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(Cl)(Cl)Cl)CC[C@@H]21 ZINC000184623532 392765729 /nfs/dbraw/zinc/76/57/29/392765729.db2.gz LJXYJTKBEXDHGL-MNOVXSKESA-N 2 0 299.673 3.163 10 0 CGAERP C[NH2+]CCC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000381700302 392913271 /nfs/dbraw/zinc/91/32/71/392913271.db2.gz ORYCJJQZMMLBLQ-AWEZNQCLSA-N 2 0 274.399 3.133 10 0 CGAERP C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000667030923 542838714 /nfs/dbraw/zinc/83/87/14/542838714.db2.gz FPERNNZGLUMERO-FMKPAKJESA-N 2 0 252.446 3.323 10 0 CGAERP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000678738529 543552363 /nfs/dbraw/zinc/55/23/63/543552363.db2.gz IKVXOTPNSXQADN-CVEARBPZSA-N 2 0 260.425 3.438 10 0 CGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000422742926 287051141 /nfs/dbraw/zinc/05/11/41/287051141.db2.gz HGUICLOVUMBEMY-DTWKUNHWSA-N 2 0 273.207 3.252 10 0 CGAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)c2ccco2)CC1 ZINC000035738476 172392088 /nfs/dbraw/zinc/39/20/88/172392088.db2.gz RTJDSOXOAWTGLT-OLZOCXBDSA-N 2 0 250.386 3.051 10 0 CGAERP C[C@@H]([NH2+]C1CCCCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037209473 173030259 /nfs/dbraw/zinc/03/02/59/173030259.db2.gz MWHVLIMKMTXKIE-CABCVRRESA-N 2 0 252.446 3.419 10 0 CGAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC000037221927 173042294 /nfs/dbraw/zinc/04/22/94/173042294.db2.gz IMOHJWKIRYKCRZ-HIFRSBDPSA-N 2 0 264.388 3.036 10 0 CGAERP CC(C)C[N@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000071263485 176096837 /nfs/dbraw/zinc/09/68/37/176096837.db2.gz RONINCWLKJPFAB-UHFFFAOYSA-N 2 0 252.377 3.151 10 0 CGAERP CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[C@@H]1[NH3+] ZINC000122976343 416505743 /nfs/dbraw/zinc/50/57/43/416505743.db2.gz HUUCXWYFJBZSIS-ZFWWWQNUSA-N 2 0 269.392 3.107 10 0 CGAERP CCC[C@H](C1CCCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000313392303 276041494 /nfs/dbraw/zinc/04/14/94/276041494.db2.gz FCDUBYGHFVOIFZ-FVQBIDKESA-N 2 0 252.446 3.262 10 0 CGAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H](CC)C1 ZINC000052479678 520009828 /nfs/dbraw/zinc/00/98/28/520009828.db2.gz XYDPVUJFNUKKHI-ZDUSSCGKSA-N 2 0 250.386 3.011 10 0 CGAERP CC(C)[NH2+]Cc1occc1C[NH+]1CCC(C)CC1 ZINC000052376988 519730118 /nfs/dbraw/zinc/73/01/18/519730118.db2.gz YJKGFVLOCLNTFV-UHFFFAOYSA-N 2 0 250.386 3.010 10 0 CGAERP CC(C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000052375676 519747406 /nfs/dbraw/zinc/74/74/06/519747406.db2.gz ZBWJZTYGJCWWEJ-OAHLLOKOSA-N 2 0 260.425 3.417 10 0 CGAERP CC(C)C[NH2+]Cc1coc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543875 519748521 /nfs/dbraw/zinc/74/85/21/519748521.db2.gz NKBNKEGYPTUSDV-DZGCQCFKSA-N 2 0 262.397 3.010 10 0 CGAERP CCC[NH2+]Cc1cc(C[N@H+](CC)CCC)c(C)o1 ZINC000052448572 519944020 /nfs/dbraw/zinc/94/40/20/519944020.db2.gz AHJBOWLUIXANGL-UHFFFAOYSA-N 2 0 252.402 3.320 10 0 CGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCCCCC1 ZINC000054627444 521956046 /nfs/dbraw/zinc/95/60/46/521956046.db2.gz HWTMUFQUDBJCNK-VHRNVKJDSA-N 2 0 250.430 3.314 10 0 CGAERP CC[C@@H](C)[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052444046 522062481 /nfs/dbraw/zinc/06/24/81/522062481.db2.gz PMALZZIIYBFTNC-GFCCVEGCSA-N 2 0 252.402 3.398 10 0 CGAERP CC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444215 523923256 /nfs/dbraw/zinc/92/32/56/523923256.db2.gz YSJKIOUMECBWBF-ZDUSSCGKSA-N 2 0 252.402 3.256 10 0 CGAERP CC[C@H](C)[N@H+](CC)Cc1occc1C[NH2+]C(C)C ZINC000052450981 523935139 /nfs/dbraw/zinc/93/51/39/523935139.db2.gz CUMFUUYQURGEMG-ZDUSSCGKSA-N 2 0 252.402 3.398 10 0 CGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000052381552 524232497 /nfs/dbraw/zinc/23/24/97/524232497.db2.gz XAERNCYVIAAMDE-CQSZACIVSA-N 2 0 258.409 3.171 10 0 CGAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)Cc1ccncc1 ZINC000052480988 524457413 /nfs/dbraw/zinc/45/74/13/524457413.db2.gz XAIXYURIIYOOHZ-AWEZNQCLSA-N 2 0 263.429 3.070 10 0 CGAERP C[C@@H]1CC[NH+](CCC2CCCCC2)CC[C@@H](C)[NH2+]1 ZINC000049666926 524502845 /nfs/dbraw/zinc/50/28/45/524502845.db2.gz OWFIEMWWMFZLDC-HUUCEWRRSA-N 2 0 252.446 3.419 10 0 CGAERP Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)oc1C[NH3+] ZINC000052517623 524686237 /nfs/dbraw/zinc/68/62/37/524686237.db2.gz ZGQMGSPLCDVJOY-OAHLLOKOSA-N 2 0 262.397 3.201 10 0 CGAERP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602852 525407519 /nfs/dbraw/zinc/40/75/19/525407519.db2.gz CJXZKMYMKWJMAV-HNSVSWJLSA-N 2 0 258.409 3.400 10 0 CGAERP Cc1oc(C[N@@H+](C)CC(C)(C)C)cc1C[NH2+]C1CC1 ZINC000052570073 526769173 /nfs/dbraw/zinc/76/91/73/526769173.db2.gz RSFVVZDZHBSFBN-UHFFFAOYSA-N 2 0 264.413 3.318 10 0 CGAERP