smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(C)cc(OC)c2O)C1(C)C ZINC001332707460 1149882205 /nfs/dbraw/zinc/88/22/05/1149882205.db2.gz JWZUBCCDWBIRLK-YJBOKZPZSA-N 1 0 323.433 2.365 20 10 DECDRO CCOC(=O)CN(CC[NH3+])c1ccc(-n2c(C)ccc2C)cc1 ZINC001170993829 790397907 /nfs/dbraw/zinc/39/79/07/790397907.db2.gz BAEDHLJNYABGJH-UHFFFAOYSA-N 1 0 315.417 2.422 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140178826 776880463 /nfs/dbraw/zinc/88/04/63/776880463.db2.gz ZBRYJCXITMFLMV-CQSZACIVSA-N 1 0 319.323 2.135 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC001140182277 776881868 /nfs/dbraw/zinc/88/18/68/776881868.db2.gz NFUFLAHZUHAZAC-UHFFFAOYSA-N 1 0 304.390 2.426 20 10 DECDRO COc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c(C(N)=O)c1 ZINC001167626314 777405317 /nfs/dbraw/zinc/40/53/17/777405317.db2.gz FQKGMAYCWFOHBD-UHFFFAOYSA-N 1 0 305.422 2.279 20 10 DECDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706834268 778030721 /nfs/dbraw/zinc/03/07/21/778030721.db2.gz RAOKJOOSGUUXAJ-VVVCHXIZSA-N 1 0 320.252 2.401 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000092455512 778496904 /nfs/dbraw/zinc/49/69/04/778496904.db2.gz PWEDNTIQMVSJRM-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC ZINC001087844010 779481111 /nfs/dbraw/zinc/48/11/11/779481111.db2.gz CLXPBZIDPJCIDN-UONOGXRCSA-N 1 0 317.393 2.452 20 10 DECDRO [O-]c1cc(F)c(Br)cc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001144308642 790856890 /nfs/dbraw/zinc/85/68/90/790856890.db2.gz RYCKDYOIRMIHJB-JTQLQIEISA-N 1 0 315.186 2.184 20 10 DECDRO [NH3+]Cc1ncc(NCc2cc(Br)ccc2O)cn1 ZINC001171177868 790896252 /nfs/dbraw/zinc/89/62/52/790896252.db2.gz LHRMHQDOOICRHU-UHFFFAOYSA-N 1 0 309.167 2.016 20 10 DECDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509960 790940670 /nfs/dbraw/zinc/94/06/70/790940670.db2.gz OKXMWMISUFYDHH-PXAZEXFGSA-N 1 0 307.390 2.442 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001144509553 790941263 /nfs/dbraw/zinc/94/12/63/790941263.db2.gz YWHTVJPBGMXZLD-CYBMUJFWSA-N 1 0 300.358 2.406 20 10 DECDRO CCCCO[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124473785 783547588 /nfs/dbraw/zinc/54/75/88/783547588.db2.gz VFEKYJSFCXMDON-OAHLLOKOSA-N 1 0 322.449 2.415 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC001333685373 1150078853 /nfs/dbraw/zinc/07/88/53/1150078853.db2.gz PZYGYSOXVUAHOV-UONOGXRCSA-N 1 0 311.353 2.124 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000691417244 784585280 /nfs/dbraw/zinc/58/52/80/784585280.db2.gz UZBWCJDKCVYDCB-JOYOIKCWSA-N 1 0 300.196 2.405 20 10 DECDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691417688 784585915 /nfs/dbraw/zinc/58/59/15/784585915.db2.gz WNPBLAPFCFMZSC-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795116 785007930 /nfs/dbraw/zinc/00/79/30/785007930.db2.gz XKDVQTORPBKDPY-CQSZACIVSA-N 1 0 321.421 2.093 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CO1 ZINC001169418492 785179790 /nfs/dbraw/zinc/17/97/90/785179790.db2.gz NSZNYQJBUBDSGC-SJORKVTESA-N 1 0 320.433 2.295 20 10 DECDRO Oc1ccc(CNc2cc(O[C@@H]3CCOC3)cc[nH+]2)cc1O ZINC001169996638 785836331 /nfs/dbraw/zinc/83/63/31/785836331.db2.gz DQDDJBSKRCGNEB-CYBMUJFWSA-N 1 0 302.330 2.273 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCO[C@@H]2C)cc1C ZINC001131693825 787691291 /nfs/dbraw/zinc/69/12/91/787691291.db2.gz SWTJGYCRXDVSNL-RDTXWAMCSA-N 1 0 320.433 2.025 20 10 DECDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333842966 1150099318 /nfs/dbraw/zinc/09/93/18/1150099318.db2.gz UJDPKHRJJMVSAB-QAPCUYQASA-N 1 0 315.465 2.230 20 10 DECDRO CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873442 789124416 /nfs/dbraw/zinc/12/44/16/789124416.db2.gz XLMBRMRRWOOBFW-OLZOCXBDSA-N 1 0 323.437 2.385 20 10 DECDRO CCC[N@@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001071646438 789839141 /nfs/dbraw/zinc/83/91/41/789839141.db2.gz YKSUCUUTFFIRFG-TZMCWYRMSA-N 1 0 321.421 2.092 20 10 DECDRO COCCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001147031723 791436636 /nfs/dbraw/zinc/43/66/36/791436636.db2.gz FDCOGYZZLCXAMO-CQSZACIVSA-N 1 0 322.449 2.272 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1([NH+](C)C)CCCC1 ZINC001147887616 791638924 /nfs/dbraw/zinc/63/89/24/791638924.db2.gz BNTJQSQHDJSEMQ-UHFFFAOYSA-N 1 0 317.433 2.352 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c1O ZINC001171696057 793174259 /nfs/dbraw/zinc/17/42/59/793174259.db2.gz YYRHQUCFVBBBPW-CYBMUJFWSA-N 1 0 320.389 2.326 20 10 DECDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444274 794956705 /nfs/dbraw/zinc/95/67/05/794956705.db2.gz VNRMTSUWFZBILH-MRXNPFEDSA-N 1 0 321.440 2.046 20 10 DECDRO CCOCC[N@H+](CC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116442246 794956761 /nfs/dbraw/zinc/95/67/61/794956761.db2.gz NIYWZZPGIMRQII-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CCCOC3)cc2F)CC1 ZINC001116496839 794960917 /nfs/dbraw/zinc/96/09/17/794960917.db2.gz VLQNZTSMGOIQGR-SFHVURJKSA-N 1 0 321.440 2.236 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C[NH2+]C)cc1 ZINC001118027193 795142383 /nfs/dbraw/zinc/14/23/83/795142383.db2.gz UFURNDDTMZOKPZ-CQSZACIVSA-N 1 0 306.454 2.188 20 10 DECDRO CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccccc1O ZINC001118933905 795240207 /nfs/dbraw/zinc/24/02/07/795240207.db2.gz VPJFKVHSVLKFDK-CYBMUJFWSA-N 1 0 315.373 2.201 20 10 DECDRO C[NH+](C)CCN(C(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001120592035 795493917 /nfs/dbraw/zinc/49/39/17/795493917.db2.gz PKZJLTCQMRSPQJ-UHFFFAOYSA-N 1 0 304.438 2.285 20 10 DECDRO Cc1cc(C(=O)NOC[C@@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC001122075868 795723993 /nfs/dbraw/zinc/72/39/93/795723993.db2.gz SMFOFVLCJHRPFX-SNVBAGLBSA-N 1 0 305.353 2.242 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1 ZINC001182872129 795770863 /nfs/dbraw/zinc/77/08/63/795770863.db2.gz BEGMGKKYBXNXEJ-MTNMJMNLSA-N 1 0 311.447 2.489 20 10 DECDRO Oc1c(C[NH2+]C2CN(c3ccncn3)C2)ccc2ccccc21 ZINC001183441919 795874979 /nfs/dbraw/zinc/87/49/79/795874979.db2.gz BIZKPPOCWRDMGZ-UHFFFAOYSA-N 1 0 306.369 2.314 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCOCC(C)C)cc1C ZINC001123988255 796016114 /nfs/dbraw/zinc/01/61/14/796016114.db2.gz FEZLHAFXNRUGIG-UHFFFAOYSA-N 1 0 322.449 2.272 20 10 DECDRO OC[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336186 796198575 /nfs/dbraw/zinc/19/85/75/796198575.db2.gz LSXBZQZWBMJGHP-INIZCTEOSA-N 1 0 316.445 2.438 20 10 DECDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499641 796228064 /nfs/dbraw/zinc/22/80/64/796228064.db2.gz XBWZERFGWPFION-SFHVURJKSA-N 1 0 302.418 2.467 20 10 DECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140098735 796477289 /nfs/dbraw/zinc/47/72/89/796477289.db2.gz KULCGCWSEJBMEO-UWVGGRQHSA-N 1 0 300.196 2.357 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCS1 ZINC001140184594 796487684 /nfs/dbraw/zinc/48/76/84/796487684.db2.gz AXEWJWPOZLCNAY-AWEZNQCLSA-N 1 0 309.431 2.490 20 10 DECDRO C[NH+](C)CCCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140341249 796509667 /nfs/dbraw/zinc/50/96/67/796509667.db2.gz GKCVAENGUZYIJO-UHFFFAOYSA-N 1 0 311.857 2.115 20 10 DECDRO CCOCc1nnn2c1C[N@H+](Cc1cc(C)ccc1O)CCC2 ZINC001140620109 796546429 /nfs/dbraw/zinc/54/64/29/796546429.db2.gz CLCVHNOGVFRRST-UHFFFAOYSA-N 1 0 316.405 2.235 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCOCC1 ZINC001140662172 796552155 /nfs/dbraw/zinc/55/21/55/796552155.db2.gz ILCVKWVGZZWZSD-UHFFFAOYSA-N 1 0 308.397 2.273 20 10 DECDRO CO[C@@H](C)C1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667062 796553443 /nfs/dbraw/zinc/55/34/43/796553443.db2.gz HGKOHMRFPNOAKC-ZDUSSCGKSA-N 1 0 308.397 2.129 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1O ZINC001140745743 796566563 /nfs/dbraw/zinc/56/65/63/796566563.db2.gz NACKAMWTDSRRLC-UHFFFAOYSA-N 1 0 318.417 2.287 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c1O ZINC001140749804 796567411 /nfs/dbraw/zinc/56/74/11/796567411.db2.gz NHKORYLMZJKFSV-UHFFFAOYSA-N 1 0 320.389 2.213 20 10 DECDRO Cc1nnc(C2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)o1 ZINC001140747932 796567678 /nfs/dbraw/zinc/56/76/78/796567678.db2.gz OBMTYQCCIRTQBF-UHFFFAOYSA-N 1 0 303.362 2.477 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)c(O)c1 ZINC001140850226 796582885 /nfs/dbraw/zinc/58/28/85/796582885.db2.gz HCEGQLKOTJPULF-OAHLLOKOSA-N 1 0 306.406 2.376 20 10 DECDRO Cc1ccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 ZINC001140958161 796607051 /nfs/dbraw/zinc/60/70/51/796607051.db2.gz SWDURUMIMCSBDH-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO CCCC[NH+]1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028250 796620699 /nfs/dbraw/zinc/62/06/99/796620699.db2.gz HJZZZQFIHUNKLW-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO CCC[NH+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141030932 796621307 /nfs/dbraw/zinc/62/13/07/796621307.db2.gz RFHZNWBQWKBRSB-KBPBESRZSA-N 1 0 320.433 2.183 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(OC)c1 ZINC001141030869 796621502 /nfs/dbraw/zinc/62/15/02/796621502.db2.gz OKHYXAHCZJUYPO-ZDUSSCGKSA-N 1 0 306.406 2.078 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(OC)c1 ZINC001141032552 796622641 /nfs/dbraw/zinc/62/26/41/796622641.db2.gz GKKCNGNCDWSHRH-AAEUAGOBSA-N 1 0 305.374 2.210 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@](C)(CO)CC3)ccc21 ZINC001141139730 796638067 /nfs/dbraw/zinc/63/80/67/796638067.db2.gz AIWFJSKCEZKESW-GOSISDBHSA-N 1 0 304.434 2.500 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@]1(C)O ZINC001141141045 796638461 /nfs/dbraw/zinc/63/84/61/796638461.db2.gz SNBJGGOIUCTQQD-KDOFPFPSSA-N 1 0 304.434 2.498 20 10 DECDRO CCC(=O)NC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143246 796638753 /nfs/dbraw/zinc/63/87/53/796638753.db2.gz QRDRFDPXKAXWAP-UHFFFAOYSA-N 1 0 317.433 2.006 20 10 DECDRO CN1CCOc2cc(CN3CCC[C@H]4C[N@H+](C)C[C@@H]43)ccc21 ZINC001141143797 796638792 /nfs/dbraw/zinc/63/87/92/796638792.db2.gz KNNDQRTZLRJODX-RDJZCZTQSA-N 1 0 301.434 2.041 20 10 DECDRO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2cc(O)ccc2O)N1CC1CC1 ZINC001141157305 796642444 /nfs/dbraw/zinc/64/24/44/796642444.db2.gz GBXLXEYLTDGIBC-HOTGVXAUSA-N 1 0 316.401 2.073 20 10 DECDRO CCOC(=O)N1CCC([N@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141161832 796643352 /nfs/dbraw/zinc/64/33/52/796643352.db2.gz ZNWZJIFXZAFYDA-UHFFFAOYSA-N 1 0 308.378 2.151 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccn2C)cc1C ZINC001154701820 797594019 /nfs/dbraw/zinc/59/40/19/797594019.db2.gz JGAYMBXAJOBLLH-UHFFFAOYSA-N 1 0 315.417 2.252 20 10 DECDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203549892 800077603 /nfs/dbraw/zinc/07/76/03/800077603.db2.gz BNLXSPHBNVQRGM-NHAGDIPZSA-N 1 0 304.390 2.347 20 10 DECDRO COCCN1CC[N@H+](Cc2ccccc2O)Cc2cccnc21 ZINC001203553042 800079221 /nfs/dbraw/zinc/07/92/21/800079221.db2.gz ZESGGXWSHVVYFP-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001203592995 800086456 /nfs/dbraw/zinc/08/64/56/800086456.db2.gz JKAOSZONQIVQDJ-KRWDZBQOSA-N 1 0 304.390 2.036 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c1O ZINC001203603196 800087751 /nfs/dbraw/zinc/08/77/51/800087751.db2.gz JZNDTXIHJMOGIM-UHFFFAOYSA-N 1 0 305.374 2.115 20 10 DECDRO CCOc1cccc(CN2CC[N@@H+]3C[C@H](OCC)C[C@H]3C2)c1O ZINC001203609844 800089227 /nfs/dbraw/zinc/08/92/27/800089227.db2.gz MHVMCMPWOXSORT-JKSUJKDBSA-N 1 0 320.433 2.086 20 10 DECDRO COc1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(O)c1 ZINC001203627896 800094262 /nfs/dbraw/zinc/09/42/62/800094262.db2.gz RBVWJHALGQUGHF-UHFFFAOYSA-N 1 0 306.406 2.124 20 10 DECDRO Oc1ccc(Cl)cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001203665528 800101839 /nfs/dbraw/zinc/10/18/39/800101839.db2.gz NVUCFQLZIGCVEB-OAHLLOKOSA-N 1 0 310.825 2.342 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c1 ZINC001203681084 800105112 /nfs/dbraw/zinc/10/51/12/800105112.db2.gz OOGVUWXEBIPJCO-AWEZNQCLSA-N 1 0 321.421 2.073 20 10 DECDRO COC(=O)c1ccc2c(c1)CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203874973 800138020 /nfs/dbraw/zinc/13/80/20/800138020.db2.gz GDMJMVYQOTVULR-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203876336 800138480 /nfs/dbraw/zinc/13/84/80/800138480.db2.gz AIAOGYDFZGFHKR-CABCVRRESA-N 1 0 318.417 2.177 20 10 DECDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203878047 800138676 /nfs/dbraw/zinc/13/86/76/800138676.db2.gz PAKJOUJEAGDEES-JYAVWHMHSA-N 1 0 320.389 2.053 20 10 DECDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203881091 800139304 /nfs/dbraw/zinc/13/93/04/800139304.db2.gz DGBSTBCGTGODEX-UHFFFAOYSA-N 1 0 318.417 2.322 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)cc1 ZINC001203931100 800147906 /nfs/dbraw/zinc/14/79/06/800147906.db2.gz BAVZWGVVRQSHST-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO O=C([C@H]1CCCC[N@H+]1Cc1ccc(O)cc1O)N1CCCC1 ZINC001204274424 800197639 /nfs/dbraw/zinc/19/76/39/800197639.db2.gz ANTIFNXFOHVXQN-OAHLLOKOSA-N 1 0 304.390 2.075 20 10 DECDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)ncn1 ZINC001204277928 800199374 /nfs/dbraw/zinc/19/93/74/800199374.db2.gz PKKWLQQYPGSIOM-OAHLLOKOSA-N 1 0 315.373 2.240 20 10 DECDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275616 800199535 /nfs/dbraw/zinc/19/95/35/800199535.db2.gz XGHVZJQGFFOZQI-UHFFFAOYSA-N 1 0 306.406 2.225 20 10 DECDRO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204323851 800204291 /nfs/dbraw/zinc/20/42/91/800204291.db2.gz JHRBBNBPWHLNFB-WDSOQIARSA-N 1 0 316.445 2.259 20 10 DECDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001204323325 800204483 /nfs/dbraw/zinc/20/44/83/800204483.db2.gz GYQDMUUDGTXVFN-SFHVURJKSA-N 1 0 302.418 2.278 20 10 DECDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204323855 800204515 /nfs/dbraw/zinc/20/45/15/800204515.db2.gz JHRBBNBPWHLNFB-YTQUADARSA-N 1 0 316.445 2.259 20 10 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CN(C)c1ccc(C[NH+]2CCC(n3cccn3)CC2)c(O)c1 ZINC001232841256 801970739 /nfs/dbraw/zinc/97/07/39/801970739.db2.gz ZTWRTMVZYFIVPA-UHFFFAOYSA-N 1 0 300.406 2.492 20 10 DECDRO C[N@H+](Cc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1O ZINC001233268246 802058828 /nfs/dbraw/zinc/05/88/28/802058828.db2.gz BLKJRNUJGCQISB-UHFFFAOYSA-N 1 0 320.414 2.396 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1 ZINC001233284346 802064310 /nfs/dbraw/zinc/06/43/10/802064310.db2.gz QZOHNZLNILUJII-SJLPKXTDSA-N 1 0 307.434 2.255 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233416300 802111697 /nfs/dbraw/zinc/11/16/97/802111697.db2.gz CREHPPIWQUSNOY-LBPRGKRZSA-N 1 0 318.339 2.173 20 10 DECDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486265 802127191 /nfs/dbraw/zinc/12/71/91/802127191.db2.gz FUXJFERGGXCZHY-LBPRGKRZSA-N 1 0 323.389 2.500 20 10 DECDRO C[C@H](Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)C1C[NH2+]C1 ZINC001218195510 802153827 /nfs/dbraw/zinc/15/38/27/802153827.db2.gz PWVLIZMTYUOBEU-JTQLQIEISA-N 1 0 323.348 2.154 20 10 DECDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1CCC[NH2+]C1 ZINC001218283217 802163917 /nfs/dbraw/zinc/16/39/17/802163917.db2.gz IIWRUOHTEZUADG-ZDUSSCGKSA-N 1 0 313.353 2.460 20 10 DECDRO CNc1ccccc1C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219120329 802285487 /nfs/dbraw/zinc/28/54/87/802285487.db2.gz URBIBXLQQWUKCX-UHFFFAOYSA-N 1 0 310.401 2.390 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC001234518835 802400631 /nfs/dbraw/zinc/40/06/31/802400631.db2.gz OKBILDKCUARLOV-ZDUSSCGKSA-N 1 0 314.385 2.251 20 10 DECDRO COc1ccc2ccc(O)c(C[NH+]3CC(N(C)C(C)=O)C3)c2c1 ZINC001234552675 802412485 /nfs/dbraw/zinc/41/24/85/802412485.db2.gz FOKHRSWEVRHBPG-UHFFFAOYSA-N 1 0 314.385 2.217 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C[NH3+])o1 ZINC000316512249 802513610 /nfs/dbraw/zinc/51/36/10/802513610.db2.gz XCULFPQNOLHBEL-UHFFFAOYSA-N 1 0 301.390 2.467 20 10 DECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1Cl ZINC001222686320 802728639 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DECDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1=CCC[NH2+]CC1)CC2 ZINC001343646208 1150759911 /nfs/dbraw/zinc/75/99/11/1150759911.db2.gz VGELJXJYLWJETR-UHFFFAOYSA-N 1 0 301.346 2.102 20 10 DECDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)c1ccccc1O ZINC001522340896 1069341947 /nfs/dbraw/zinc/34/19/47/1069341947.db2.gz DIOQVFPMIOECGQ-YXPYIKCWSA-N 1 0 318.417 2.117 20 10 DECDRO CC(C)C[NH+]1CCC(C(=O)NCc2cccc(O)c2O)CC1 ZINC001455315943 1057695450 /nfs/dbraw/zinc/69/54/50/1057695450.db2.gz MFHNHYBHGPSFKK-UHFFFAOYSA-N 1 0 306.406 2.082 20 10 DECDRO Cc1ccc(C[NH2+]Cc2cc(=O)n(-c3ccccc3)n2C)c(O)c1 ZINC001462634399 1058870047 /nfs/dbraw/zinc/87/00/47/1058870047.db2.gz KMUGADOHWOZLNO-UHFFFAOYSA-N 1 0 323.396 2.480 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCCCC23OCCO3)c1O ZINC001462662776 1058876705 /nfs/dbraw/zinc/87/67/05/1058876705.db2.gz KABJWBVGUMTYFW-HNNXBMFYSA-N 1 0 307.390 2.485 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC001463867445 1059034601 /nfs/dbraw/zinc/03/46/01/1059034601.db2.gz SOSZHONZQTWPNN-UHFFFAOYSA-N 1 0 315.377 2.206 20 10 DECDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1ccc(O)c(O)c1 ZINC001466963070 1059562125 /nfs/dbraw/zinc/56/21/25/1059562125.db2.gz XMHJSNLGBAMKJH-UHFFFAOYSA-N 1 0 308.422 2.221 20 10 DECDRO O=C(NCc1cccc(O)c1O)c1ccc(C[NH+]2CCCC2)o1 ZINC001471642166 1060257665 /nfs/dbraw/zinc/25/76/65/1060257665.db2.gz MILAFVWKFSJDTK-UHFFFAOYSA-N 1 0 316.357 2.217 20 10 DECDRO CCOCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473918538 1060769076 /nfs/dbraw/zinc/76/90/76/1060769076.db2.gz ZQGOJGJZEDVSKU-UHFFFAOYSA-N 1 0 309.429 2.094 20 10 DECDRO CCC[N@H+](Cc1ccc(Cl)cc1O)[C@@H]1CC(=O)N(C)C1=O ZINC001474470187 1060874599 /nfs/dbraw/zinc/87/45/99/1060874599.db2.gz BHOQTFLUDBTMLL-GFCCVEGCSA-N 1 0 310.781 2.015 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C)OC)C2)cc1C ZINC001479353604 1061409699 /nfs/dbraw/zinc/40/96/99/1061409699.db2.gz NJSAEBWFJMEMKA-FVQBIDKESA-N 1 0 320.433 2.023 20 10 DECDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001625078681 1078237603 /nfs/dbraw/zinc/23/76/03/1078237603.db2.gz IFXUKHRODAQLQY-UHFFFAOYSA-N 1 0 314.385 2.018 20 10 DECDRO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(N(C)C)cc1 ZINC001576186934 1066514516 /nfs/dbraw/zinc/51/45/16/1066514516.db2.gz VVXWWPVBKFKHOX-VUCTXSBTSA-N 1 0 301.434 2.460 20 10 DECDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632748253 1078390520 /nfs/dbraw/zinc/39/05/20/1078390520.db2.gz IEXFSPJQZSUUOB-LLVKDONJSA-N 1 0 305.382 2.309 20 10 DECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(Br)cn1 ZINC001577627268 1066888941 /nfs/dbraw/zinc/88/89/41/1066888941.db2.gz ANTSLMVIKMYEBO-NSHDSACASA-N 1 0 310.195 2.245 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1 ZINC001578424743 1067096572 /nfs/dbraw/zinc/09/65/72/1067096572.db2.gz ULWHBZCQQURLHL-BZUAXINKSA-N 1 0 319.449 2.072 20 10 DECDRO Cc1cc(CCNC(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccccc1 ZINC001579593317 1067377920 /nfs/dbraw/zinc/37/79/20/1067377920.db2.gz ZVZRZGYHKOTTGF-ZDUSSCGKSA-N 1 0 314.433 2.283 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@H](C)[NH3+])c1 ZINC001579589893 1067378237 /nfs/dbraw/zinc/37/82/37/1067378237.db2.gz QEMNEZRPCKDCRG-LBPRGKRZSA-N 1 0 313.401 2.374 20 10 DECDRO Cc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c(O)c1O ZINC001579660909 1067399062 /nfs/dbraw/zinc/39/90/62/1067399062.db2.gz VJFOIXLKHZQQHA-INIZCTEOSA-N 1 0 318.417 2.256 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)cc1OC ZINC001639293552 1078605796 /nfs/dbraw/zinc/60/57/96/1078605796.db2.gz XKWCIXGGOOVWOZ-UHFFFAOYSA-N 1 0 323.393 2.390 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001570602372 1068031193 /nfs/dbraw/zinc/03/11/93/1068031193.db2.gz VUDBAPWTRIBXKL-OLZOCXBDSA-N 1 0 316.405 2.023 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)c(O)c1 ZINC001520145104 1069102239 /nfs/dbraw/zinc/10/22/39/1069102239.db2.gz CWGOVPRGCFOJAG-YUELXQCFSA-N 1 0 318.417 2.137 20 10 DECDRO CC[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001272445797 1078880181 /nfs/dbraw/zinc/88/01/81/1078880181.db2.gz LHQFUTQDWJXGBV-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO Oc1ccc(Br)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235924106 1079052174 /nfs/dbraw/zinc/05/21/74/1079052174.db2.gz OVYJGBCPBMLRBR-UHFFFAOYSA-N 1 0 311.223 2.483 20 10 DECDRO COC1(OC)CC([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001560598259 1075142921 /nfs/dbraw/zinc/14/29/21/1075142921.db2.gz SRLXLHZABIKPPA-UHFFFAOYSA-N 1 0 300.349 2.272 20 10 DECDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001560628624 1075143633 /nfs/dbraw/zinc/14/36/33/1075143633.db2.gz OJROKUFJANECNV-QGZVFWFLSA-N 1 0 306.450 2.404 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001560797641 1075145964 /nfs/dbraw/zinc/14/59/64/1075145964.db2.gz KHNOPQFAOPWJIX-UHFFFAOYSA-N 1 0 303.811 2.103 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)c1ccc2c(n1)C[NH2+]CC2 ZINC001580708672 1075980014 /nfs/dbraw/zinc/98/00/14/1075980014.db2.gz XXRFRUHYSJFCTQ-UHFFFAOYSA-N 1 0 317.776 2.016 20 10 DECDRO O=C(c1cc2cc(O)c(O)cc2s1)N(C1CCC1)C1C[NH2+]C1 ZINC001580813202 1076000834 /nfs/dbraw/zinc/00/08/34/1076000834.db2.gz NKASYHCVKMPNAG-UHFFFAOYSA-N 1 0 318.398 2.279 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001584742470 1076318062 /nfs/dbraw/zinc/31/80/62/1076318062.db2.gz RERAMKQKRNQPED-OAHLLOKOSA-N 1 0 318.417 2.164 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccccc1O ZINC001651501993 1079815022 /nfs/dbraw/zinc/81/50/22/1079815022.db2.gz PQMVSXFMUJYTDS-SNVBAGLBSA-N 1 0 324.377 2.030 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC001654734891 1079976029 /nfs/dbraw/zinc/97/60/29/1079976029.db2.gz LBQZKVZFJWPBAD-CQSZACIVSA-N 1 0 311.385 2.238 20 10 DECDRO Fc1cc(C[NH2+]CCc2ccncc2)ccc1N1CCOCC1 ZINC001655894166 1080023851 /nfs/dbraw/zinc/02/38/51/1080023851.db2.gz USUWJPQYXXTXDE-UHFFFAOYSA-N 1 0 315.392 2.390 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(F)F)C2)cc1C ZINC001656179161 1080059760 /nfs/dbraw/zinc/05/97/60/1080059760.db2.gz OKIPTGKVPMWQGA-JOCQHMNTSA-N 1 0 312.360 2.253 20 10 DECDRO CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCOCC1 ZINC001656692102 1080114582 /nfs/dbraw/zinc/11/45/82/1080114582.db2.gz MTBAHPGKYJIYDP-GOSISDBHSA-N 1 0 318.461 2.458 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCN(C)C2)N(C)C)cc1 ZINC001659060540 1080228859 /nfs/dbraw/zinc/22/88/59/1080228859.db2.gz QWUOHDCCWPIQTQ-WMZOPIPTSA-N 1 0 304.482 2.039 20 10 DECDRO CCn1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC001659365929 1080238134 /nfs/dbraw/zinc/23/81/34/1080238134.db2.gz YCTMJYHQODEWFW-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO CCOCc1cc(C[NH2+]CCCC(=O)N(C)C)ccc1OC ZINC001661311214 1080468792 /nfs/dbraw/zinc/46/87/92/1080468792.db2.gz XFTKSHCVLFUZCY-UHFFFAOYSA-N 1 0 308.422 2.190 20 10 DECDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001663854965 1080827151 /nfs/dbraw/zinc/82/71/51/1080827151.db2.gz CVWBIWBASSIUIY-ZDUSSCGKSA-N 1 0 309.797 2.035 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CCF)cc1 ZINC001270194963 1081471859 /nfs/dbraw/zinc/47/18/59/1081471859.db2.gz YKUJNBSDNKUETH-CYBMUJFWSA-N 1 0 321.356 2.013 20 10 DECDRO CCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266669990 1082265639 /nfs/dbraw/zinc/26/56/39/1082265639.db2.gz MTEHPIHDMOSHOV-BMFZPTHFSA-N 1 0 320.433 2.165 20 10 DECDRO CCc1ccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001276804852 1083622311 /nfs/dbraw/zinc/62/23/11/1083622311.db2.gz MAJZCQGPIMFTBW-UHFFFAOYSA-N 1 0 312.417 2.138 20 10 DECDRO c1c[nH]c(C[N@H+]2C[C@H]3C[C@@H](C2)N3c2ccc3c(c2)OCCO3)c1 ZINC001277013758 1083733263 /nfs/dbraw/zinc/73/32/63/1083733263.db2.gz GNDXQKUZBURGOB-IYBDPMFKSA-N 1 0 311.385 2.249 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277192787 1083839626 /nfs/dbraw/zinc/83/96/26/1083839626.db2.gz TTYGBGFPVJJLIQ-QAPCUYQASA-N 1 0 318.417 2.178 20 10 DECDRO CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2)C(C)C ZINC001277659636 1084080847 /nfs/dbraw/zinc/08/08/47/1084080847.db2.gz BFCHTZXMJVVJQH-RDTXWAMCSA-N 1 0 318.417 2.177 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001235168811 1084333639 /nfs/dbraw/zinc/33/36/39/1084333639.db2.gz GJXSHZVVLRRXIF-WMLDXEAASA-N 1 0 321.852 2.100 20 10 DECDRO COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235770488 1084523593 /nfs/dbraw/zinc/52/35/93/1084523593.db2.gz DUVDMVKGIHOEFF-DZGCQCFKSA-N 1 0 320.433 2.012 20 10 DECDRO COc1ccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c(O)c1 ZINC001235847501 1084548107 /nfs/dbraw/zinc/54/81/07/1084548107.db2.gz JLKMLFHHRXQZSH-KRWDZBQOSA-N 1 0 312.413 2.417 20 10 DECDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001235992599 1084583650 /nfs/dbraw/zinc/58/36/50/1084583650.db2.gz PTUAILVZNVKXLE-SMDDNHRTSA-N 1 0 316.323 2.256 20 10 DECDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000706829129 1086652463 /nfs/dbraw/zinc/65/24/63/1086652463.db2.gz LYLWWBYUEZNNLX-SNVBAGLBSA-N 1 0 311.223 2.481 20 10 DECDRO Cc1ncsc1CN1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001275267023 1091645072 /nfs/dbraw/zinc/64/50/72/1091645072.db2.gz JFTDYSMURHRRSU-UHFFFAOYSA-N 1 0 315.442 2.475 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236753329 1138410291 /nfs/dbraw/zinc/41/02/91/1138410291.db2.gz LUTNDYOYVXGEFA-LBPRGKRZSA-N 1 0 323.389 2.185 20 10 DECDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(OC)c(OC)cc3O)C[C@H]2C1 ZINC001236755056 1138410361 /nfs/dbraw/zinc/41/03/61/1138410361.db2.gz YHVXARMJSKYLGC-HUUCEWRRSA-N 1 0 320.433 2.183 20 10 DECDRO CCc1ccc(C[N@H+]2Cc3nccn3C[C@H](COC)C2)c(O)c1 ZINC001236786136 1138426519 /nfs/dbraw/zinc/42/65/19/1138426519.db2.gz LXBMIJAPKMRXSZ-OAHLLOKOSA-N 1 0 315.417 2.430 20 10 DECDRO CCc1ccc(CN2CCO[C@@H](C[NH+](CC)CC)C2)c(O)c1 ZINC001236789287 1138428023 /nfs/dbraw/zinc/42/80/23/1138428023.db2.gz UWXBLYLHKKYJAD-KRWDZBQOSA-N 1 0 306.450 2.497 20 10 DECDRO CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001236788736 1138428687 /nfs/dbraw/zinc/42/86/87/1138428687.db2.gz 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/nfs/dbraw/zinc/48/71/01/1138487101.db2.gz IETAWKALQBHVNF-UHFFFAOYSA-N 1 0 300.358 2.450 20 10 DECDRO CCOc1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001237047564 1138487765 /nfs/dbraw/zinc/48/77/65/1138487765.db2.gz MHFWUJXZZYQWGQ-KRWDZBQOSA-N 1 0 320.433 2.088 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c(O)c1 ZINC001237049722 1138489639 /nfs/dbraw/zinc/48/96/39/1138489639.db2.gz IGMUNTQYBCWUCQ-UHFFFAOYSA-N 1 0 305.374 2.115 20 10 DECDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237054516 1138491708 /nfs/dbraw/zinc/49/17/08/1138491708.db2.gz BJMCDTNERLISQL-MRXNPFEDSA-N 1 0 320.433 2.243 20 10 DECDRO C[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1O ZINC001237119674 1138507144 /nfs/dbraw/zinc/50/71/44/1138507144.db2.gz JUWKFSLZTBYUPA-GXSJLCMTSA-N 1 0 305.296 2.494 20 10 DECDRO NC(=O)C1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237648342 1138736236 /nfs/dbraw/zinc/73/62/36/1138736236.db2.gz ZVXWUAAFVYPQKN-UHFFFAOYSA-N 1 0 300.333 2.115 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(O)c(OC)c1 ZINC001237670725 1138747440 /nfs/dbraw/zinc/74/74/40/1138747440.db2.gz WGKADTVZHHKUDJ-KRWDZBQOSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237675743 1138748301 /nfs/dbraw/zinc/74/83/01/1138748301.db2.gz GBDFJSKKOKXZOO-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c(OC)c1 ZINC001237672980 1138748640 /nfs/dbraw/zinc/74/86/40/1138748640.db2.gz BMEHOFKSBJGVCS-UHFFFAOYSA-N 1 0 324.396 2.028 20 10 DECDRO Cc1cc(F)cc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC001238061353 1138819264 /nfs/dbraw/zinc/81/92/64/1138819264.db2.gz GYIVVHMRCXREPO-UHFFFAOYSA-N 1 0 308.397 2.136 20 10 DECDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(F)cc(C)c2O)CCO1 ZINC001238067262 1138819676 /nfs/dbraw/zinc/81/96/76/1138819676.db2.gz QUPJXAWPOYQDQK-INIZCTEOSA-N 1 0 310.413 2.382 20 10 DECDRO CN(c1ccccc1)c1cc(-c2cnn(C3C[NH2+]C3)c2)ncn1 ZINC001241597896 1139832714 /nfs/dbraw/zinc/83/27/14/1139832714.db2.gz JRUQORNVZLQXTE-UHFFFAOYSA-N 1 0 306.373 2.252 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnnn1CC1CC1 ZINC001320627377 1140886974 /nfs/dbraw/zinc/88/69/74/1140886974.db2.gz BVAOFXJMTGEJBJ-AAEUAGOBSA-N 1 0 313.405 2.435 20 10 DECDRO CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322093363 1141392591 /nfs/dbraw/zinc/39/25/91/1141392591.db2.gz GJUCLMQRFUBARN-JQWIXIFHSA-N 1 0 323.372 2.305 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]CCN3)n2)cc1 ZINC001247715984 1141456790 /nfs/dbraw/zinc/45/67/90/1141456790.db2.gz HRMYQFJOPQORCL-MRXNPFEDSA-N 1 0 323.400 2.378 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cccnc3C2)c(O)c1 ZINC001249214206 1141860125 /nfs/dbraw/zinc/86/01/25/1141860125.db2.gz HEXJWZNSKPFMQI-UHFFFAOYSA-N 1 0 312.369 2.061 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@](F)(CO)C3)ccc2O1 ZINC001249224189 1141862355 /nfs/dbraw/zinc/86/23/55/1141862355.db2.gz UHKQRYFDVJCQNY-KRWDZBQOSA-N 1 0 307.365 2.483 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)ccc2O1 ZINC001249223269 1141862547 /nfs/dbraw/zinc/86/25/47/1141862547.db2.gz CZIVYINFBSSIJG-ZIAGYGMSSA-N 1 0 307.365 2.481 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(C)n1 ZINC001340461131 1143351039 /nfs/dbraw/zinc/35/10/39/1143351039.db2.gz HDGGNCRTEFEPKC-KRWDZBQOSA-N 1 0 312.417 2.194 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2cc3c(s2)C[NH2+]CC3)cc1 ZINC001341535573 1143625021 /nfs/dbraw/zinc/62/50/21/1143625021.db2.gz VFBCCHVOLYHNMN-UHFFFAOYSA-N 1 0 315.442 2.390 20 10 DECDRO C[C@H](NC(=O)c1ccc2c(c1)OCC[NH2+]C2)c1ccccc1O ZINC001341541489 1143625705 /nfs/dbraw/zinc/62/57/05/1143625705.db2.gz SZQODJNXUYLQAT-LBPRGKRZSA-N 1 0 312.369 2.365 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001262618375 1144323058 /nfs/dbraw/zinc/32/30/58/1144323058.db2.gz VDGUYUBWXBTPRJ-HIFRSBDPSA-N 1 0 320.433 2.265 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ncc[nH]2)cc1C ZINC001266142928 1144809202 /nfs/dbraw/zinc/80/92/02/1144809202.db2.gz BPWGIKGAAMARPJ-ZDUSSCGKSA-N 1 0 316.405 2.025 20 10 DECDRO CCOCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001280466213 1144841318 /nfs/dbraw/zinc/84/13/18/1144841318.db2.gz XAGOOPCVLSYNNO-UHFFFAOYSA-N 1 0 320.433 2.169 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001303225678 1147322550 /nfs/dbraw/zinc/32/25/50/1147322550.db2.gz MQVVGQCVFWTVMX-ZDUSSCGKSA-N 1 0 318.417 2.369 20 10 DECDRO C[N@H+](CCC(=O)NCc1cc(O)ccc1O)C1CCCCC1 ZINC001303225520 1147322639 /nfs/dbraw/zinc/32/26/39/1147322639.db2.gz KGOKGOUEBKRXJI-UHFFFAOYSA-N 1 0 306.406 2.369 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCO[C@H]2c2nc(C)no2)cc1C ZINC001307978742 1147439989 /nfs/dbraw/zinc/43/99/89/1147439989.db2.gz VKUZGRLIMCJKPT-DZGCQCFKSA-N 1 0 303.362 2.315 20 10 DECDRO COc1c(O)c(C[NH2+][C@H](C)c2nccnc2C)ccc1[N+](=O)[O-] ZINC001308928800 1147489729 /nfs/dbraw/zinc/48/97/29/1147489729.db2.gz UEHXQRWWPDODBM-SNVBAGLBSA-N 1 0 318.333 2.258 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001318398089 1147821508 /nfs/dbraw/zinc/82/15/08/1147821508.db2.gz PQRHNGCIJHTTQQ-IRXDYDNUSA-N 1 0 318.465 2.425 20 10 DECDRO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCO3)cc2F)CC1 ZINC001325435779 1147909238 /nfs/dbraw/zinc/90/92/38/1147909238.db2.gz VPKNBWOUZJJJBE-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326051257 1148035876 /nfs/dbraw/zinc/03/58/76/1148035876.db2.gz SWDUCUOLHLSPKC-INIZCTEOSA-N 1 0 301.434 2.197 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000269252772 529781966 /nfs/dbraw/zinc/78/19/66/529781966.db2.gz ZZISQRUNOXQBBB-OIISXLGYSA-N 1 0 301.434 2.290 20 10 DECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000091985021 193135893 /nfs/dbraw/zinc/13/58/93/193135893.db2.gz JSAKRTHVYRIBPN-SECBINFHSA-N 1 0 316.195 2.396 20 10 DECDRO COCCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000530095595 284340010 /nfs/dbraw/zinc/34/00/10/284340010.db2.gz OURAPFUXADASHF-INIZCTEOSA-N 1 0 307.390 2.067 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330409 533543379 /nfs/dbraw/zinc/54/33/79/533543379.db2.gz VWPOXEJDURMZJQ-HIFRSBDPSA-N 1 0 321.440 2.350 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1C ZINC000273357009 130111577 /nfs/dbraw/zinc/11/15/77/130111577.db2.gz CXRCCIJQLLHGLA-CYBMUJFWSA-N 1 0 311.447 2.484 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273368915 130112286 /nfs/dbraw/zinc/11/22/86/130112286.db2.gz FRPONOUZZOFSQY-VXGBXAGGSA-N 1 0 305.378 2.435 20 10 DECDRO C[C@H](NCc1nncn1C)c1cc(Br)ccc1O ZINC000273377012 130113558 /nfs/dbraw/zinc/11/35/58/130113558.db2.gz HKMVZIUCRVCBTF-QMMMGPOBSA-N 1 0 311.183 2.134 20 10 DECDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000275131187 130294355 /nfs/dbraw/zinc/29/43/55/130294355.db2.gz KNUAUQDBTNUOTN-SECBINFHSA-N 1 0 320.286 2.032 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ncn(C)n2)c1O ZINC000275476283 130324748 /nfs/dbraw/zinc/32/47/48/130324748.db2.gz DFASZTOZBBQLMZ-MRVPVSSYSA-N 1 0 308.769 2.228 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1F ZINC000288471940 131326288 /nfs/dbraw/zinc/32/62/88/131326288.db2.gz FUVVCYLADFEAJI-CRAIPNDOSA-N 1 0 316.376 2.476 20 10 DECDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000289188584 131364688 /nfs/dbraw/zinc/36/46/88/131364688.db2.gz AQIHUQRQGDZXRQ-ZDUSSCGKSA-N 1 0 303.280 2.320 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000115636418 401834123 /nfs/dbraw/zinc/83/41/23/401834123.db2.gz IDSVINURTHKXHJ-INIZCTEOSA-N 1 0 318.465 2.236 20 10 DECDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000134868366 401917208 /nfs/dbraw/zinc/91/72/08/401917208.db2.gz VLMBBXBBSGBJQE-BCTVWOGZSA-N 1 0 306.225 2.011 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820258 402021055 /nfs/dbraw/zinc/02/10/55/402021055.db2.gz FOFWKOWROPOSTM-GOSISDBHSA-N 1 0 302.418 2.136 20 10 DECDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184921972 402309809 /nfs/dbraw/zinc/30/98/09/402309809.db2.gz SDVSVPPCGDFXFP-VIFPVBQESA-N 1 0 315.211 2.332 20 10 DECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000230199060 402349132 /nfs/dbraw/zinc/34/91/32/402349132.db2.gz GESALUAUCSIBSI-XYZCENFISA-N 1 0 320.252 2.401 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237218156 402400105 /nfs/dbraw/zinc/40/01/05/402400105.db2.gz OOYVODMYOLZRRN-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000186127972 402404079 /nfs/dbraw/zinc/40/40/79/402404079.db2.gz FNEUDZOTPXCKBA-CQSZACIVSA-N 1 0 320.433 2.379 20 10 DECDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCOC3=O)CC2)cc1 ZINC000177657310 402423817 /nfs/dbraw/zinc/42/38/17/402423817.db2.gz SCJPSMBHZHQLNR-OAHLLOKOSA-N 1 0 318.417 2.161 20 10 DECDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186809049 402465572 /nfs/dbraw/zinc/46/55/72/402465572.db2.gz ALTMTPSERPDIBM-VIFPVBQESA-N 1 0 315.211 2.284 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000164956808 402471482 /nfs/dbraw/zinc/47/14/82/402471482.db2.gz HQJUYWPJHPMILB-KRWDZBQOSA-N 1 0 303.450 2.438 20 10 DECDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000170718539 402516929 /nfs/dbraw/zinc/51/69/29/402516929.db2.gz MPZXLCUKZITQFG-AWEZNQCLSA-N 1 0 306.454 2.282 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000179676747 402597663 /nfs/dbraw/zinc/59/76/63/402597663.db2.gz GDSAOSSZXKVTKW-UHFFFAOYSA-N 1 0 318.339 2.471 20 10 DECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179692016 402598327 /nfs/dbraw/zinc/59/83/27/402598327.db2.gz BJEPEDMFHZSBSX-ZDUSSCGKSA-N 1 0 308.378 2.111 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000191805707 402693508 /nfs/dbraw/zinc/69/35/08/402693508.db2.gz STXFXWURHVUMKR-VIFPVBQESA-N 1 0 315.211 2.029 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000262863567 402735705 /nfs/dbraw/zinc/73/57/05/402735705.db2.gz UKVSYULGDIPWCZ-LRDDRELGSA-N 1 0 312.417 2.217 20 10 DECDRO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514805 402744326 /nfs/dbraw/zinc/74/43/26/402744326.db2.gz JURIAJCXJJRZEE-HOCLYGCPSA-N 1 0 321.440 2.235 20 10 DECDRO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000271878168 402884770 /nfs/dbraw/zinc/88/47/70/402884770.db2.gz UHVIRGBZMYAKHR-NVXWUHKLSA-N 1 0 315.417 2.380 20 10 DECDRO C[C@H](CCO)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000271829582 402884953 /nfs/dbraw/zinc/88/49/53/402884953.db2.gz OPOIOEQFKBOXLH-GFCCVEGCSA-N 1 0 307.390 2.399 20 10 DECDRO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC000272501731 402944964 /nfs/dbraw/zinc/94/49/64/402944964.db2.gz VSOCHKHUJJVBBY-INIZCTEOSA-N 1 0 314.360 2.422 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000280053736 402966924 /nfs/dbraw/zinc/96/69/24/402966924.db2.gz PFHYPSMWWCYIJS-HNNXBMFYSA-N 1 0 322.474 2.152 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1F ZINC000280335680 402989374 /nfs/dbraw/zinc/98/93/74/402989374.db2.gz QWJQRCMMNZUUAQ-JKSUJKDBSA-N 1 0 324.440 2.407 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000280258912 402980396 /nfs/dbraw/zinc/98/03/96/402980396.db2.gz JMYRBVYZEFRIQQ-DLBZAZTESA-N 1 0 306.450 2.267 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000280970701 403055566 /nfs/dbraw/zinc/05/55/66/403055566.db2.gz JERHBCQIAYMDGQ-UHFFFAOYSA-N 1 0 318.465 2.380 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000269239664 403124746 /nfs/dbraw/zinc/12/47/46/403124746.db2.gz PXIXLTKLUYVSGN-OAHLLOKOSA-N 1 0 303.431 2.292 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](CCO)C2CCOCC2)c1O ZINC000275969396 403136003 /nfs/dbraw/zinc/13/60/03/403136003.db2.gz LNTLBSGQWVEPIC-UHFFFAOYSA-N 1 0 315.797 2.028 20 10 DECDRO CCCC[N@H+](Cc1ccccc1O)C[C@](C)(O)C(=O)OCC ZINC000282412526 403151188 /nfs/dbraw/zinc/15/11/88/403151188.db2.gz IOULCIRAMNBGAZ-KRWDZBQOSA-N 1 0 309.406 2.308 20 10 DECDRO CC[NH+]1CCC(CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000277764593 403254373 /nfs/dbraw/zinc/25/43/73/403254373.db2.gz SMBITWGKMRILGO-UHFFFAOYSA-N 1 0 310.369 2.089 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000271193936 403276782 /nfs/dbraw/zinc/27/67/82/403276782.db2.gz RTYZVDMXDWPLOC-ZDUSSCGKSA-N 1 0 310.825 2.200 20 10 DECDRO CC[C@H](CSC)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299711061 403565374 /nfs/dbraw/zinc/56/53/74/403565374.db2.gz QIJRJFZKGRVWIG-OAHLLOKOSA-N 1 0 323.506 2.442 20 10 DECDRO COc1cccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000293966620 403612161 /nfs/dbraw/zinc/61/21/61/403612161.db2.gz QGRIBRIGXOJJPQ-INIZCTEOSA-N 1 0 301.386 2.436 20 10 DECDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000290261155 404102530 /nfs/dbraw/zinc/10/25/30/404102530.db2.gz VCYCCIQDDMGJKR-WLTAIBSBSA-N 1 0 316.195 2.219 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000290356985 404138735 /nfs/dbraw/zinc/13/87/35/404138735.db2.gz JFGCYRBWQMBMMO-CVEARBPZSA-N 1 0 324.428 2.171 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869457 404232303 /nfs/dbraw/zinc/23/23/03/404232303.db2.gz RBUKLGVQPOSYPQ-ZIAGYGMSSA-N 1 0 300.406 2.364 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445824 404398852 /nfs/dbraw/zinc/39/88/52/404398852.db2.gz CBIKLKBQWDYZKP-LJQANCHMSA-N 1 0 324.380 2.497 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1F ZINC000364582913 404455969 /nfs/dbraw/zinc/45/59/69/404455969.db2.gz ULIGZAVBSFZBFG-KBXCAEBGSA-N 1 0 319.424 2.288 20 10 DECDRO COCCCN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297668967 404585651 /nfs/dbraw/zinc/58/56/51/404585651.db2.gz KZGFCYSYXZNXDL-MRXNPFEDSA-N 1 0 304.434 2.470 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000367070889 404918229 /nfs/dbraw/zinc/91/82/29/404918229.db2.gz HRJHUVXURJTVBS-UHFFFAOYSA-N 1 0 302.418 2.278 20 10 DECDRO CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(N(C)C)cc1 ZINC000361598225 405153772 /nfs/dbraw/zinc/15/37/72/405153772.db2.gz UURGXNXYEKFZHQ-IBGZPJMESA-N 1 0 323.440 2.426 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1C ZINC000377831115 227202625 /nfs/dbraw/zinc/20/26/25/227202625.db2.gz JWSRCKMFWQDBGE-OAHLLOKOSA-N 1 0 300.406 2.111 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000372413547 274145354 /nfs/dbraw/zinc/14/53/54/274145354.db2.gz NUBKYYXRNPAYDF-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO CNC(=O)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026253 649868295 /nfs/dbraw/zinc/86/82/95/649868295.db2.gz SUYXWTSGZVZKRU-PLNGDYQASA-N 1 0 301.434 2.224 20 10 DECDRO COc1ccc(N(C)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(OC)c1 ZINC000378441087 533981870 /nfs/dbraw/zinc/98/18/70/533981870.db2.gz GKWQWIYBTFLVAQ-GASCZTMLSA-N 1 0 306.406 2.003 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)CSC)CC2)cc1 ZINC000305148379 533998763 /nfs/dbraw/zinc/99/87/63/533998763.db2.gz SOKFZDYCNXKRAB-QGZVFWFLSA-N 1 0 324.490 2.368 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3c(C)cnn3C)CC2)cc1 ZINC000377615052 534003632 /nfs/dbraw/zinc/00/36/32/534003632.db2.gz KRDDDGLMEFUGOM-UHFFFAOYSA-N 1 0 314.433 2.449 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000835035474 649869818 /nfs/dbraw/zinc/86/98/18/649869818.db2.gz ILFRTPHEJXOYMK-HWKANZROSA-N 1 0 311.433 2.136 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)C(=O)N(C)CC)ccc1OC ZINC000188888470 520186723 /nfs/dbraw/zinc/18/67/23/520186723.db2.gz KPRUOJMISIIEFV-CYBMUJFWSA-N 1 0 308.422 2.188 20 10 DECDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160319989 520247886 /nfs/dbraw/zinc/24/78/86/520247886.db2.gz QYUIZKWBNDJPNW-ZDUSSCGKSA-N 1 0 308.422 2.183 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCCC[NH3+] ZINC000237101387 522252738 /nfs/dbraw/zinc/25/27/38/522252738.db2.gz WNSMEKDBLQKDTK-UHFFFAOYSA-N 1 0 305.422 2.387 20 10 DECDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000237778347 524157687 /nfs/dbraw/zinc/15/76/87/524157687.db2.gz CTYHVYOTAWQFIK-GOSISDBHSA-N 1 0 312.417 2.346 20 10 DECDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(N)cc1 ZINC000237555245 524363412 /nfs/dbraw/zinc/36/34/12/524363412.db2.gz RDGJDRHXRBFHCL-RBSFLKMASA-N 1 0 303.450 2.294 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000363846100 524739760 /nfs/dbraw/zinc/73/97/60/524739760.db2.gz LFEJXILSVPLPLV-CQSZACIVSA-N 1 0 321.417 2.418 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000267034737 526341196 /nfs/dbraw/zinc/34/11/96/526341196.db2.gz LHOMDHIBXOREGZ-LBPRGKRZSA-N 1 0 318.236 2.112 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188819079 526342470 /nfs/dbraw/zinc/34/24/70/526342470.db2.gz VMAXPJIGWVKWBM-SKDRFNHKSA-N 1 0 300.196 2.405 20 10 DECDRO CCC[NH2+]CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418103499 528496362 /nfs/dbraw/zinc/49/63/62/528496362.db2.gz WLIDQJCWHLJBHG-UHFFFAOYSA-N 1 0 302.422 2.286 20 10 DECDRO CCOc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1O ZINC000227600584 528653661 /nfs/dbraw/zinc/65/36/61/528653661.db2.gz QBPDZGFHXBATSA-UHFFFAOYSA-N 1 0 310.394 2.405 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1 ZINC000275450165 535751940 /nfs/dbraw/zinc/75/19/40/535751940.db2.gz GKWZCCYMTHLSGE-HOCLYGCPSA-N 1 0 317.389 2.144 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C[NH3+])c2C)cc1 ZINC000274424660 536552899 /nfs/dbraw/zinc/55/28/99/536552899.db2.gz MFTNMLJAPJNHRL-LLVKDONJSA-N 1 0 301.390 2.180 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](c2nncn2C)C(C)C)cc1OC ZINC000289076989 536855870 /nfs/dbraw/zinc/85/58/70/536855870.db2.gz AQBDBNBLDXYNNF-OAHLLOKOSA-N 1 0 320.393 2.025 20 10 DECDRO COc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000285110898 536856508 /nfs/dbraw/zinc/85/65/08/536856508.db2.gz LUVNBESHPHOERG-UKRRQHHQSA-N 1 0 320.433 2.468 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041540 649870211 /nfs/dbraw/zinc/87/02/11/649870211.db2.gz MVANPLDIZPTSGI-SDKBWNRFSA-N 1 0 301.434 2.270 20 10 DECDRO C[C@@H]1COCCN1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042520 649870856 /nfs/dbraw/zinc/87/08/56/649870856.db2.gz ISDJCIYHXGHYEW-YIEVGGLXSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000835052533 649872583 /nfs/dbraw/zinc/87/25/83/649872583.db2.gz FUPKLJKHBNAQBA-LLCTXKFZSA-N 1 0 322.474 2.180 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074538 649875909 /nfs/dbraw/zinc/87/59/09/649875909.db2.gz RPKSTVQYDRSXKY-ZIAGYGMSSA-N 1 0 304.390 2.034 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001330599287 1149207865 /nfs/dbraw/zinc/20/78/65/1149207865.db2.gz VGHCTPBHDOOAQG-KDURUIRLSA-N 1 0 315.461 2.240 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC000969594907 622836624 /nfs/dbraw/zinc/83/66/24/622836624.db2.gz YTHIHVPSFGRYNM-DAXOMENPSA-N 1 0 302.418 2.350 20 10 DECDRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000892788303 625608604 /nfs/dbraw/zinc/60/86/04/625608604.db2.gz BQTZMAYTZURWMA-MRXNPFEDSA-N 1 0 323.396 2.132 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000840831868 623241713 /nfs/dbraw/zinc/24/17/13/623241713.db2.gz JJBOCZGRNUPMMY-HUUCEWRRSA-N 1 0 301.434 2.464 20 10 DECDRO CC(C)[C@@H](F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246781 623790585 /nfs/dbraw/zinc/79/05/85/623790585.db2.gz DJDKIKGQEXBPJC-JKSUJKDBSA-N 1 0 309.429 2.466 20 10 DECDRO COC[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253039 623798492 /nfs/dbraw/zinc/79/84/92/623798492.db2.gz PLNCQWUDGJJXNC-RHSMWYFYSA-N 1 0 321.465 2.144 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C)C2)cc1C ZINC001021799493 624094528 /nfs/dbraw/zinc/09/45/28/624094528.db2.gz QXPLPXGVRCYUEU-DANNLKNASA-N 1 0 302.418 2.396 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000891390873 624138543 /nfs/dbraw/zinc/13/85/43/624138543.db2.gz MVQPRLVZGBQKCX-HIFRSBDPSA-N 1 0 304.438 2.164 20 10 DECDRO CC(=O)NCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000308290134 624173523 /nfs/dbraw/zinc/17/35/23/624173523.db2.gz GPVDPOCWRFSGHM-UHFFFAOYSA-N 1 0 315.211 2.031 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC2(C[NH3+])CCCCC2)cc1F ZINC000891455523 624204748 /nfs/dbraw/zinc/20/47/48/624204748.db2.gz CKUMWQZOJYFQCU-UHFFFAOYSA-N 1 0 322.428 2.353 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891565005 624478708 /nfs/dbraw/zinc/47/87/08/624478708.db2.gz ODBBZNUUEWSPDW-MRXNPFEDSA-N 1 0 318.465 2.474 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000893018136 625053135 /nfs/dbraw/zinc/05/31/35/625053135.db2.gz FEVPXJSGEWYSSD-NSHDSACASA-N 1 0 309.797 2.082 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)c(O)c1 ZINC000725851655 625143513 /nfs/dbraw/zinc/14/35/13/625143513.db2.gz VHXQDXQVFLEUDG-UHFFFAOYSA-N 1 0 312.373 2.281 20 10 DECDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000892612688 625195223 /nfs/dbraw/zinc/19/52/23/625195223.db2.gz LVWCIJAWWRMAML-OAHLLOKOSA-N 1 0 324.490 2.381 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCC[NH+]1CCCCC1 ZINC000180890898 625201036 /nfs/dbraw/zinc/20/10/36/625201036.db2.gz NAQZOXAAJHJLJR-SOFGYWHQSA-N 1 0 304.390 2.103 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c(O)c1OC ZINC000892510717 625955654 /nfs/dbraw/zinc/95/56/54/625955654.db2.gz SBBIEDYHMAQLIM-GFCCVEGCSA-N 1 0 319.405 2.340 20 10 DECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893554312 634619455 /nfs/dbraw/zinc/61/94/55/634619455.db2.gz UAZZIQGIHRHMGW-WDEREUQCSA-N 1 0 311.378 2.087 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000836241984 650069814 /nfs/dbraw/zinc/06/98/14/650069814.db2.gz LDQNDLHXYQIVOV-AWEZNQCLSA-N 1 0 306.454 2.282 20 10 DECDRO C[NH+](C)CC1(CNC(=O)NCc2c(O)cccc2F)CCCC1 ZINC000921965600 635768590 /nfs/dbraw/zinc/76/85/90/635768590.db2.gz OHVDRICVWRCRBE-UHFFFAOYSA-N 1 0 323.412 2.453 20 10 DECDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000232643465 635933617 /nfs/dbraw/zinc/93/36/17/635933617.db2.gz XOZCCLMHXYTVTQ-VIFPVBQESA-N 1 0 315.211 2.157 20 10 DECDRO COc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)c(O)c1 ZINC000837591315 650226972 /nfs/dbraw/zinc/22/69/72/650226972.db2.gz CBYSSRPTJVCDHC-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c(O)c1OC ZINC000894136147 636267634 /nfs/dbraw/zinc/26/76/34/636267634.db2.gz CIYBHUUFLLXLLQ-IAQYHMDHSA-N 1 0 307.390 2.409 20 10 DECDRO CNC(=O)c1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894171936 636381816 /nfs/dbraw/zinc/38/18/16/636381816.db2.gz NFVGCKPIPZNEGT-UHFFFAOYSA-N 1 0 314.385 2.359 20 10 DECDRO COc1cc(C)cc(C[NH2+]C2CCC3(CC2)OCCO3)c1O ZINC000894188134 636400626 /nfs/dbraw/zinc/40/06/26/636400626.db2.gz RFACGBXZLFIGPE-UHFFFAOYSA-N 1 0 307.390 2.485 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1O ZINC000894458227 637049196 /nfs/dbraw/zinc/04/91/96/637049196.db2.gz OHRJKEIBFYGPIT-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c(O)c1OC ZINC000894610085 637125038 /nfs/dbraw/zinc/12/50/38/637125038.db2.gz ITQIOJJTTIKJGK-AWEZNQCLSA-N 1 0 307.390 2.289 20 10 DECDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425527 637170863 /nfs/dbraw/zinc/17/08/63/637170863.db2.gz ZTLNPZLGLRTBLZ-MDZRGWNJSA-N 1 0 317.477 2.471 20 10 DECDRO CCc1[nH]c(C[NH2+]Cc2cccc(OC)c2O)cc1C(=O)OC ZINC000894766545 637202848 /nfs/dbraw/zinc/20/28/48/637202848.db2.gz RDFDEMFOYSUHBV-UHFFFAOYSA-N 1 0 318.373 2.368 20 10 DECDRO COCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCOCC1 ZINC000894827769 637231778 /nfs/dbraw/zinc/23/17/78/637231778.db2.gz DQHFJPOSBFMDPK-UHFFFAOYSA-N 1 0 309.406 2.242 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)c(O)c1OC ZINC000894985972 637362207 /nfs/dbraw/zinc/36/22/07/637362207.db2.gz GRFKISZTXKVNCA-ZDUSSCGKSA-N 1 0 309.406 2.394 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1O ZINC000895001517 637364014 /nfs/dbraw/zinc/36/40/14/637364014.db2.gz SVBLJBQVJUJZQH-LJQANCHMSA-N 1 0 310.397 2.330 20 10 DECDRO COCCOC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895006606 637366748 /nfs/dbraw/zinc/36/67/48/637366748.db2.gz SKCILRLUXICSPG-HOTGVXAUSA-N 1 0 322.449 2.163 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000895075003 637499129 /nfs/dbraw/zinc/49/91/29/637499129.db2.gz UEIJCSYHBVRFGO-CYBMUJFWSA-N 1 0 306.406 2.198 20 10 DECDRO CC(C)(CCCO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000320076712 637538764 /nfs/dbraw/zinc/53/87/64/637538764.db2.gz VUMBKPVGRQELKF-UHFFFAOYSA-N 1 0 306.450 2.412 20 10 DECDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788269017 637541519 /nfs/dbraw/zinc/54/15/19/637541519.db2.gz KDTAGPYYMINZHM-LDYMZIIASA-N 1 0 316.195 2.118 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCc2nnc3n2CCC3)c(Cl)c1 ZINC000840873408 650369560 /nfs/dbraw/zinc/36/95/60/650369560.db2.gz ATIAXPMQUMDCOW-UHFFFAOYSA-N 1 0 306.797 2.224 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CCCN(C)CC3)cc2)CC1 ZINC000839465660 637884558 /nfs/dbraw/zinc/88/45/58/637884558.db2.gz ZOHHRIOECMIHQL-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839504584 637898442 /nfs/dbraw/zinc/89/84/42/637898442.db2.gz LPPDEWSJBPACMJ-GDBMZVCRSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OCCCO)CC1 ZINC000840915493 650379491 /nfs/dbraw/zinc/37/94/91/650379491.db2.gz BTBAQDZHQHCFER-UHFFFAOYSA-N 1 0 306.450 2.424 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(Cl)c1 ZINC000840936209 650389180 /nfs/dbraw/zinc/38/91/80/650389180.db2.gz HCHOOOAIJUYFFZ-NSHDSACASA-N 1 0 317.838 2.411 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000840942948 650391432 /nfs/dbraw/zinc/39/14/32/650391432.db2.gz BOZSORUUPNVVES-NVXWUHKLSA-N 1 0 308.466 2.309 20 10 DECDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000895712224 638158035 /nfs/dbraw/zinc/15/80/35/638158035.db2.gz ZIHWBXSRITYDSZ-SZZPACECSA-N 1 0 323.286 2.465 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)C(C)C ZINC000840968047 650397149 /nfs/dbraw/zinc/39/71/49/650397149.db2.gz UHFJLYYFPCICSR-ZWKOTPCHSA-N 1 0 306.450 2.408 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC000895721896 638165666 /nfs/dbraw/zinc/16/56/66/638165666.db2.gz NUUCQDONNIQLHN-OAHLLOKOSA-N 1 0 321.417 2.154 20 10 DECDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000840976865 650398661 /nfs/dbraw/zinc/39/86/61/650398661.db2.gz YSDUQFJOTYIQKI-IEBWSBKVSA-N 1 0 320.477 2.488 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000745786083 638289850 /nfs/dbraw/zinc/28/98/50/638289850.db2.gz DOHFIDRYENXQPQ-TZMCWYRMSA-N 1 0 322.428 2.174 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745827194 638293410 /nfs/dbraw/zinc/29/34/10/638293410.db2.gz DUSXYYKBSDDWOH-GOEBONIOSA-N 1 0 318.465 2.343 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000745838013 638293484 /nfs/dbraw/zinc/29/34/84/638293484.db2.gz FTLCZQKUTOJRRA-OLZOCXBDSA-N 1 0 321.421 2.245 20 10 DECDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[NH2+]2)ccc1N1CCCCC1 ZINC000841035146 650410267 /nfs/dbraw/zinc/41/02/67/650410267.db2.gz IBMPIVSWFSPKCN-HNNXBMFYSA-N 1 0 318.421 2.427 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)cc1Cl ZINC000895986107 638297530 /nfs/dbraw/zinc/29/75/30/638297530.db2.gz UXXKWWLGZMUWAT-LBPRGKRZSA-N 1 0 303.811 2.019 20 10 DECDRO Cc1nn(C)c(Cl)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040234 650411797 /nfs/dbraw/zinc/41/17/97/650411797.db2.gz JKYRNEFYPKDYNH-HNNXBMFYSA-N 1 0 321.856 2.238 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000841044588 650412493 /nfs/dbraw/zinc/41/24/93/650412493.db2.gz WNCMHPPCRWOXOR-QGZVFWFLSA-N 1 0 309.417 2.419 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000841044756 650412543 /nfs/dbraw/zinc/41/25/43/650412543.db2.gz YRIAXNOHSRNLNF-QGZVFWFLSA-N 1 0 314.389 2.450 20 10 DECDRO C[NH+]1CCC(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896050187 638325515 /nfs/dbraw/zinc/32/55/15/638325515.db2.gz IEJRCCBAYPKUFR-UHFFFAOYSA-N 1 0 320.414 2.384 20 10 DECDRO Cc1cccc2ncc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)n21 ZINC000841045156 650413463 /nfs/dbraw/zinc/41/34/63/650413463.db2.gz IYHPQFUEQRJRFJ-SFHVURJKSA-N 1 0 323.444 2.498 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896072192 638340343 /nfs/dbraw/zinc/34/03/43/638340343.db2.gz CZAFJSXCIMIUDR-UHFFFAOYSA-N 1 0 308.403 2.383 20 10 DECDRO CCOCc1cc(C[NH2+]CC(=O)N(CC)CC)ccc1OC ZINC000747855077 638484653 /nfs/dbraw/zinc/48/46/53/638484653.db2.gz ZNMKOVXVIFXJBQ-UHFFFAOYSA-N 1 0 308.422 2.190 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000896382183 638495516 /nfs/dbraw/zinc/49/55/16/638495516.db2.gz UXAFRNZKKYOHJO-CWDCEQMOSA-N 1 0 302.418 2.461 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000896459305 638534072 /nfs/dbraw/zinc/53/40/72/638534072.db2.gz LZBMBFMQCNINKX-QGZVFWFLSA-N 1 0 320.389 2.111 20 10 DECDRO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000748243265 638534705 /nfs/dbraw/zinc/53/47/05/638534705.db2.gz WWFNGRMXEDETCT-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO COc1cc(O)c(CN2C[C@H]([NH3+])Cc3ccccc32)cc1OC ZINC000841106952 650433142 /nfs/dbraw/zinc/43/31/42/650433142.db2.gz SWQRPRGCFAQBFY-CQSZACIVSA-N 1 0 314.385 2.299 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000896585656 638595128 /nfs/dbraw/zinc/59/51/28/638595128.db2.gz WGVCHNMEPHSDAA-AWEZNQCLSA-N 1 0 308.397 2.273 20 10 DECDRO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000320515165 639088774 /nfs/dbraw/zinc/08/87/74/639088774.db2.gz GNHMRXZPWWNUJH-SFHVURJKSA-N 1 0 304.434 2.428 20 10 DECDRO CCOc1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c(O)c1 ZINC000897027308 639131322 /nfs/dbraw/zinc/13/13/22/639131322.db2.gz RDJCSJJCRIXTNZ-OAHLLOKOSA-N 1 0 320.389 2.111 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1OC ZINC000897053716 639145540 /nfs/dbraw/zinc/14/55/40/639145540.db2.gz VGNMDMYEGTVZFD-DEZZGGKRSA-N 1 0 323.389 2.182 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000754731434 639466020 /nfs/dbraw/zinc/46/60/20/639466020.db2.gz BWFLVYQXSGXMHX-CYBMUJFWSA-N 1 0 307.390 2.294 20 10 DECDRO CN(C)c1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000756082047 639623273 /nfs/dbraw/zinc/62/32/73/639623273.db2.gz YDSLZZBPEPMHJS-SFHVURJKSA-N 1 0 305.466 2.295 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000756370153 639655440 /nfs/dbraw/zinc/65/54/40/639655440.db2.gz IGXKOUDMUZIZSK-VHSXEESVSA-N 1 0 303.811 2.131 20 10 DECDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000756408224 639659858 /nfs/dbraw/zinc/65/98/58/639659858.db2.gz LGPNSSWFLXDMGE-CQSZACIVSA-N 1 0 309.429 2.210 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCC(OC)CC2)c1 ZINC000756640502 639680938 /nfs/dbraw/zinc/68/09/38/639680938.db2.gz BSARVPZIIDXONH-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839564348 639755166 /nfs/dbraw/zinc/75/51/66/639755166.db2.gz QIXGJUJZSOJWRQ-RHSMWYFYSA-N 1 0 303.450 2.489 20 10 DECDRO CCCNC(=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228671782 639790751 /nfs/dbraw/zinc/79/07/51/639790751.db2.gz HISBVSMHILPFOZ-UHFFFAOYSA-N 1 0 300.786 2.060 20 10 DECDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000757919925 639896189 /nfs/dbraw/zinc/89/61/89/639896189.db2.gz NCJZKHSZANGTKT-MRXNPFEDSA-N 1 0 311.378 2.231 20 10 DECDRO C[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)CS(C)(=O)=O ZINC000758141533 639919565 /nfs/dbraw/zinc/91/95/65/639919565.db2.gz GKPJRAHUXMAFDM-CQSZACIVSA-N 1 0 324.490 2.398 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000841719648 650551127 /nfs/dbraw/zinc/55/11/27/650551127.db2.gz MULAJJWUZAZZHT-HOCLYGCPSA-N 1 0 318.465 2.412 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000841709937 650546906 /nfs/dbraw/zinc/54/69/06/650546906.db2.gz PWMWHXQULNMKIM-INIZCTEOSA-N 1 0 316.449 2.228 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1F ZINC000841760285 650558497 /nfs/dbraw/zinc/55/84/97/650558497.db2.gz JUDCNJUZIFHPGT-UHFFFAOYSA-N 1 0 320.412 2.001 20 10 DECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755550 650558034 /nfs/dbraw/zinc/55/80/34/650558034.db2.gz IXDSBXGNACTRGD-ONGXEEELSA-N 1 0 320.842 2.024 20 10 DECDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987585242 640229354 /nfs/dbraw/zinc/22/93/54/640229354.db2.gz NURVHUOFZZTRMC-BXUZGUMPSA-N 1 0 317.393 2.452 20 10 DECDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793514 650565300 /nfs/dbraw/zinc/56/53/00/650565300.db2.gz MAGMGTPANMAWQU-INIZCTEOSA-N 1 0 318.465 2.459 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C[NH3+])cc1F ZINC000841797910 650566882 /nfs/dbraw/zinc/56/68/82/650566882.db2.gz CFFYLBPPJRUWEQ-GFCCVEGCSA-N 1 0 310.417 2.066 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1F ZINC000841799577 650567700 /nfs/dbraw/zinc/56/77/00/650567700.db2.gz XZSIIOQCVWRRHX-RYUDHWBXSA-N 1 0 310.417 2.207 20 10 DECDRO Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000841829550 650574028 /nfs/dbraw/zinc/57/40/28/650574028.db2.gz QQDPNQJWMPCJEG-UHFFFAOYSA-N 1 0 314.433 2.197 20 10 DECDRO Cc1ccc(N)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846230 650577721 /nfs/dbraw/zinc/57/77/21/650577721.db2.gz MEHIDZQSDQZCSU-KRWDZBQOSA-N 1 0 312.417 2.073 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000763496630 640548436 /nfs/dbraw/zinc/54/84/36/640548436.db2.gz UJIWXLOPMRYDQU-MOPGFXCFSA-N 1 0 317.477 2.486 20 10 DECDRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841883219 650593388 /nfs/dbraw/zinc/59/33/88/650593388.db2.gz SGOGMYZASJFODE-KBPBESRZSA-N 1 0 304.438 2.112 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841880530 650591131 /nfs/dbraw/zinc/59/11/31/650591131.db2.gz BVZMLQZWDKWOGV-HIFRSBDPSA-N 1 0 306.454 2.486 20 10 DECDRO C[C@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841882360 650592375 /nfs/dbraw/zinc/59/23/75/650592375.db2.gz XYTYMQWCKFGIPF-AWEZNQCLSA-N 1 0 316.449 2.423 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897544805 640760582 /nfs/dbraw/zinc/76/05/82/640760582.db2.gz DQDVHNXXHGIVLQ-AWEZNQCLSA-N 1 0 305.422 2.266 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc1C ZINC000897559389 640796976 /nfs/dbraw/zinc/79/69/76/640796976.db2.gz VGMMXLWPESPGEU-KRWDZBQOSA-N 1 0 301.390 2.316 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841945489 650608912 /nfs/dbraw/zinc/60/89/12/650608912.db2.gz NSVIPJVTECYDMR-QGZVFWFLSA-N 1 0 318.465 2.410 20 10 DECDRO CN(C)c1ccc(CN(C(=O)N[C@H](C[NH3+])C2CC2)C2CC2)cc1 ZINC000841946102 650608939 /nfs/dbraw/zinc/60/89/39/650608939.db2.gz GCBOHDRYEOXQCQ-QGZVFWFLSA-N 1 0 316.449 2.164 20 10 DECDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979458 640836492 /nfs/dbraw/zinc/83/64/92/640836492.db2.gz UHPBXAAFPZFQBL-GJZGRUSLSA-N 1 0 324.490 2.446 20 10 DECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956512 650612031 /nfs/dbraw/zinc/61/20/31/650612031.db2.gz GHQJGNCKUXGUKY-PBHICJAKSA-N 1 0 316.449 2.080 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000841958792 650612535 /nfs/dbraw/zinc/61/25/35/650612535.db2.gz SWBUAFMHKMFZHA-RHSMWYFYSA-N 1 0 318.465 2.326 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCCN1C1CC1)OCO2 ZINC000766223831 640860872 /nfs/dbraw/zinc/86/08/72/640860872.db2.gz JNECYHYBENTMIA-CQSZACIVSA-N 1 0 304.390 2.227 20 10 DECDRO O=C(NCC1C[NH2+]C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841965495 650615321 /nfs/dbraw/zinc/61/53/21/650615321.db2.gz GUUYMZIKCBTOAO-UHFFFAOYSA-N 1 0 317.433 2.456 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000841989198 650620878 /nfs/dbraw/zinc/62/08/78/650620878.db2.gz OLBZUXNBWAXUPD-GFCCVEGCSA-N 1 0 319.405 2.071 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000767355812 640969652 /nfs/dbraw/zinc/96/96/52/640969652.db2.gz WROZRKBGJVPBPN-UHFFFAOYSA-N 1 0 310.463 2.009 20 10 DECDRO C[NH+](C)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897990184 640997634 /nfs/dbraw/zinc/99/76/34/640997634.db2.gz XXDDJPFOVPHAOD-UHFFFAOYSA-N 1 0 306.387 2.137 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842010554 650627537 /nfs/dbraw/zinc/62/75/37/650627537.db2.gz MPVVABVCXQMNGZ-HZPDHXFCSA-N 1 0 318.465 2.412 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768437959 641081046 /nfs/dbraw/zinc/08/10/46/641081046.db2.gz LCVFOBHYOIYWBQ-QGZVFWFLSA-N 1 0 315.369 2.459 20 10 DECDRO COc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000768447170 641082072 /nfs/dbraw/zinc/08/20/72/641082072.db2.gz MVIBYSXEEMYJAS-CQSZACIVSA-N 1 0 306.406 2.078 20 10 DECDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768465375 641085074 /nfs/dbraw/zinc/08/50/74/641085074.db2.gz HNYSIJXHIAZERU-HOCLYGCPSA-N 1 0 309.431 2.391 20 10 DECDRO Cc1ccc(O)c(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)c1 ZINC000768531611 641093812 /nfs/dbraw/zinc/09/38/12/641093812.db2.gz GQDVOIIDNIKYBZ-UHFFFAOYSA-N 1 0 324.421 2.020 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c1 ZINC000768937436 641146041 /nfs/dbraw/zinc/14/60/41/641146041.db2.gz RGYNLQKVXNEHQK-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO COc1cccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000769527765 641256927 /nfs/dbraw/zinc/25/69/27/641256927.db2.gz RDUPEJMRIIHLIN-OAHLLOKOSA-N 1 0 307.390 2.171 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769554363 641259056 /nfs/dbraw/zinc/25/90/56/641259056.db2.gz CKTZSGAORVOYTI-UHFFFAOYSA-N 1 0 307.390 2.172 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C)OC)CC2)cc1C ZINC000990102921 641355597 /nfs/dbraw/zinc/35/55/97/641355597.db2.gz JNXCJOSCLSDQPN-AWEZNQCLSA-N 1 0 320.433 2.119 20 10 DECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000771865384 641563202 /nfs/dbraw/zinc/56/32/02/641563202.db2.gz XGQVYYRCSCVGFL-ZDUSSCGKSA-N 1 0 300.358 2.468 20 10 DECDRO Cc1nnsc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449329 641660908 /nfs/dbraw/zinc/66/09/08/641660908.db2.gz BLWTURYAAGWPGK-HNNXBMFYSA-N 1 0 319.478 2.305 20 10 DECDRO COC[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000898450345 641661984 /nfs/dbraw/zinc/66/19/84/641661984.db2.gz QJAJPIULYOGOOM-MSOLQXFVSA-N 1 0 305.466 2.370 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(Cl)ccc2O)C1 ZINC000775194778 642015230 /nfs/dbraw/zinc/01/52/30/642015230.db2.gz YQAHILOWQMQDHW-CYBMUJFWSA-N 1 0 317.838 2.445 20 10 DECDRO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775834784 642103127 /nfs/dbraw/zinc/10/31/27/642103127.db2.gz QHTZTERZHPFBFS-LLVKDONJSA-N 1 0 317.355 2.472 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=S)NC2CCC2)[NH+](C)C)cc1 ZINC000899724011 642149969 /nfs/dbraw/zinc/14/99/69/642149969.db2.gz ISJOEUDEMLRNMW-MRXNPFEDSA-N 1 0 320.506 2.372 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=S)NC2(C)CC2)[NH+](C)C)cc1 ZINC000899725736 642150835 /nfs/dbraw/zinc/15/08/35/642150835.db2.gz ZPGLJPXBLXRNEF-HNNXBMFYSA-N 1 0 320.506 2.372 20 10 DECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000776520250 642180300 /nfs/dbraw/zinc/18/03/00/642180300.db2.gz LCCPIPUVOXMBCK-OAHLLOKOSA-N 1 0 315.797 2.228 20 10 DECDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467648 642268667 /nfs/dbraw/zinc/26/86/67/642268667.db2.gz MFSQCWKOQMOZND-VQIMIIECSA-N 1 0 317.477 2.295 20 10 DECDRO COc1cc(O)c(C[NH2+]CCNc2cccc(C)n2)cc1OC ZINC000777483179 642270467 /nfs/dbraw/zinc/27/04/67/642270467.db2.gz IBTUXYJMWAIEMT-UHFFFAOYSA-N 1 0 317.389 2.315 20 10 DECDRO Oc1ccc(F)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000778996637 642453673 /nfs/dbraw/zinc/45/36/73/642453673.db2.gz VLRCRWOISBOBCM-INIZCTEOSA-N 1 0 308.397 2.218 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842617833 650783821 /nfs/dbraw/zinc/78/38/21/650783821.db2.gz WWVSZYZXYUQNDD-CQSZACIVSA-N 1 0 321.384 2.417 20 10 DECDRO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000783538364 643016762 /nfs/dbraw/zinc/01/67/62/643016762.db2.gz KLSVFBLGDNIIIJ-MRXNPFEDSA-N 1 0 313.401 2.287 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000783969116 643073301 /nfs/dbraw/zinc/07/33/01/643073301.db2.gz SZOVDDWHMOBTKE-DLBZAZTESA-N 1 0 319.401 2.209 20 10 DECDRO Cn1cnc(/C=C\C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000902699904 643110762 /nfs/dbraw/zinc/11/07/62/643110762.db2.gz VRMANPUCHXRLSR-XZVRFQMRSA-N 1 0 322.412 2.445 20 10 DECDRO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000785589411 643252566 /nfs/dbraw/zinc/25/25/66/643252566.db2.gz OOUZQMMDOKBIBM-LBPRGKRZSA-N 1 0 315.211 2.015 20 10 DECDRO C[C@H]([NH2+]C1CC(CCO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903329237 643322816 /nfs/dbraw/zinc/32/28/16/643322816.db2.gz QRYSOCCOUJKKFS-HLIUYOAVSA-N 1 0 322.424 2.474 20 10 DECDRO Cn1cc([C@]2(C[NH2+][C@@H]3CCc4cccc(O)c43)CCCO2)cn1 ZINC000903359036 643326587 /nfs/dbraw/zinc/32/65/87/643326587.db2.gz CGORPFRLKRCNAO-CRAIPNDOSA-N 1 0 313.401 2.409 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1 ZINC000903399438 643344246 /nfs/dbraw/zinc/34/42/46/643344246.db2.gz WJEQWIMVMTWJOB-OLZOCXBDSA-N 1 0 314.389 2.126 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000786949915 643432483 /nfs/dbraw/zinc/43/24/83/643432483.db2.gz KKWRQWOZYYAKAK-ZDUSSCGKSA-N 1 0 310.463 2.228 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@H]1C ZINC000787324343 643481433 /nfs/dbraw/zinc/48/14/33/643481433.db2.gz IVKDGOUCLWHWLL-TVQRCGJNSA-N 1 0 309.337 2.117 20 10 DECDRO CCOc1ccc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(O)c1 ZINC000903982185 643535208 /nfs/dbraw/zinc/53/52/08/643535208.db2.gz MPMWEEAMVQIZGT-VXGBXAGGSA-N 1 0 304.312 2.112 20 10 DECDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905101524 643789274 /nfs/dbraw/zinc/78/92/74/643789274.db2.gz KPPAFMSBLBGGRB-GOSISDBHSA-N 1 0 318.461 2.288 20 10 DECDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000789962876 643796405 /nfs/dbraw/zinc/79/64/05/643796405.db2.gz BSSPPRKXHZSRRW-IJLUTSLNSA-N 1 0 324.396 2.333 20 10 DECDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000790069193 643812320 /nfs/dbraw/zinc/81/23/20/643812320.db2.gz NMDWKVYRGOWGAZ-GHMZBOCLSA-N 1 0 310.369 2.087 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000790385886 643846310 /nfs/dbraw/zinc/84/63/10/643846310.db2.gz FHAXYKHYOKQUGA-SUNYJGFJSA-N 1 0 321.417 2.478 20 10 DECDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC[NH2+]CC1 ZINC000843044128 650875525 /nfs/dbraw/zinc/87/55/25/650875525.db2.gz DUPIHSIJKHSQHR-UHFFFAOYSA-N 1 0 323.393 2.273 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000790466220 643856069 /nfs/dbraw/zinc/85/60/69/643856069.db2.gz MCFZUUCGMDDSOK-CQSZACIVSA-N 1 0 314.385 2.001 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@](C)(O)C(F)F)C2)cc1 ZINC000905290510 643859687 /nfs/dbraw/zinc/85/96/87/643859687.db2.gz NEHSKMABYDXLCW-WBMJQRKESA-N 1 0 314.376 2.127 20 10 DECDRO Cn1nnc2cc(CN3CCCc4cc(C[NH3+])ccc43)ccc21 ZINC000843057352 650879220 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Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524173 644266649 /nfs/dbraw/zinc/26/66/49/644266649.db2.gz SLHBYDNTBGXULN-HNNXBMFYSA-N 1 0 314.433 2.416 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000794888315 644488210 /nfs/dbraw/zinc/48/82/10/644488210.db2.gz FAIJDRNUSSIMMV-KSSFIOAISA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000794892475 644488749 /nfs/dbraw/zinc/48/87/49/644488749.db2.gz VHGSVGCYVFXDNN-KBXCAEBGSA-N 1 0 321.417 2.479 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000797072725 644834201 /nfs/dbraw/zinc/83/42/01/644834201.db2.gz ZFWIODDDJVZXAJ-GHMZBOCLSA-N 1 0 313.419 2.017 20 10 DECDRO CO[C@H](C)c1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350006 650954989 /nfs/dbraw/zinc/95/49/89/650954989.db2.gz HVWBWDQGAILTJD-LLVKDONJSA-N 1 0 302.378 2.189 20 10 DECDRO CC(=O)c1cc(F)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843363132 650957633 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CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262122 645667958 /nfs/dbraw/zinc/66/79/58/645667958.db2.gz OXSOGVSXJGCIEW-AWEZNQCLSA-N 1 0 313.401 2.429 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000911667705 645769925 /nfs/dbraw/zinc/76/99/25/645769925.db2.gz QTDFAYVEJHDIQS-BONHGPHZSA-N 1 0 313.445 2.161 20 10 DECDRO Nc1ccc(CCNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000911783763 645822236 /nfs/dbraw/zinc/82/22/36/645822236.db2.gz YOSMNPVIJDIQGO-QGZVFWFLSA-N 1 0 315.461 2.488 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000807549016 645961643 /nfs/dbraw/zinc/96/16/43/645961643.db2.gz LJNRPHGDLAGQNU-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H]2C1 ZINC000808445727 646085762 /nfs/dbraw/zinc/08/57/62/646085762.db2.gz YUQPHTALAUJZJX-YTQUADARSA-N 1 0 315.461 2.489 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000809748921 646276158 /nfs/dbraw/zinc/27/61/58/646276158.db2.gz GKXGNXMDWFXEGV-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO COc1cc(C)cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000840187048 646293537 /nfs/dbraw/zinc/29/35/37/646293537.db2.gz FAASPWRIFDHAPX-CQSZACIVSA-N 1 0 306.406 2.198 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCc3cn[nH]c3)CC2)cc1 ZINC000810247251 646344286 /nfs/dbraw/zinc/34/42/86/646344286.db2.gz IOWWTIWVVCMWHA-UHFFFAOYSA-N 1 0 300.406 2.219 20 10 DECDRO COCC[C@@H](COC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810256979 646345579 /nfs/dbraw/zinc/34/55/79/646345579.db2.gz JUUUJUKHWXCFIF-INIZCTEOSA-N 1 0 322.449 2.305 20 10 DECDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164420201 646443777 /nfs/dbraw/zinc/44/37/77/646443777.db2.gz HKHOIFVOPCRSFN-AWEZNQCLSA-N 1 0 309.406 2.194 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646786 646517974 /nfs/dbraw/zinc/51/79/74/646517974.db2.gz WHKDSLPPLGNAMH-UHFFFAOYSA-N 1 0 310.417 2.033 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000812780272 646694688 /nfs/dbraw/zinc/69/46/88/646694688.db2.gz YLQKVXWGSFXNBA-UHFFFAOYSA-N 1 0 312.797 2.277 20 10 DECDRO CCC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000171846327 646714637 /nfs/dbraw/zinc/71/46/37/646714637.db2.gz WLOOBHDABVPLQX-UHFFFAOYSA-N 1 0 303.450 2.051 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C(F)(F)F)c1 ZINC000814171969 646856464 /nfs/dbraw/zinc/85/64/64/646856464.db2.gz VJOKZZLKASJDFB-WDNDVIMCSA-N 1 0 314.351 2.442 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1 ZINC000815118231 646973233 /nfs/dbraw/zinc/97/32/33/646973233.db2.gz UGYQMWKGOZEXIL-APWZRJJASA-N 1 0 317.477 2.438 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000761197452 647196885 /nfs/dbraw/zinc/19/68/85/647196885.db2.gz DNTQZEMYYSQXDR-UHFFFAOYSA-N 1 0 312.797 2.108 20 10 DECDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000817370019 647279318 /nfs/dbraw/zinc/27/93/18/647279318.db2.gz JMBXGGPUBFGDEA-CYBMUJFWSA-N 1 0 314.385 2.122 20 10 DECDRO Oc1ccc(Br)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865903 647369014 /nfs/dbraw/zinc/36/90/14/647369014.db2.gz OMLGFEFUVOOQSI-UHFFFAOYSA-N 1 0 311.223 2.483 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000817900376 647377111 /nfs/dbraw/zinc/37/71/11/647377111.db2.gz SCHWRBDMCVWLCW-RBUKOAKNSA-N 1 0 315.461 2.143 20 10 DECDRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940258 647388202 /nfs/dbraw/zinc/38/82/02/647388202.db2.gz FBSIKVMKYSNZNP-ROUUACIJSA-N 1 0 315.465 2.263 20 10 DECDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2n(n1)CCC2 ZINC000817941870 647388670 /nfs/dbraw/zinc/38/86/70/647388670.db2.gz SMXCLJPWQXEHPG-GUYCJALGSA-N 1 0 313.449 2.246 20 10 DECDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2n(n1)CCC2 ZINC000817941866 647388820 /nfs/dbraw/zinc/38/88/20/647388820.db2.gz SMXCLJPWQXEHPG-CXAGYDPISA-N 1 0 313.449 2.246 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817982418 647399300 /nfs/dbraw/zinc/39/93/00/647399300.db2.gz DPMOYJVUTZESQP-ZBFHGGJFSA-N 1 0 321.440 2.455 20 10 DECDRO Cc1cc(NC(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000818996401 647560866 /nfs/dbraw/zinc/56/08/66/647560866.db2.gz GUIOHTYGROLSLR-UHFFFAOYSA-N 1 0 301.346 2.036 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C2)cc1 ZINC000819380629 647647058 /nfs/dbraw/zinc/64/70/58/647647058.db2.gz QYGCNXQGLOTDKJ-BXUZGUMPSA-N 1 0 318.339 2.034 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)C2)cc1 ZINC000819380631 647647442 /nfs/dbraw/zinc/64/74/42/647647442.db2.gz QYGCNXQGLOTDKJ-RISCZKNCSA-N 1 0 318.339 2.034 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000820259135 647814088 /nfs/dbraw/zinc/81/40/88/647814088.db2.gz VHCHETVDXULFDC-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000925479447 648220272 /nfs/dbraw/zinc/22/02/72/648220272.db2.gz ZRKWJQQJARMANA-RHSMWYFYSA-N 1 0 305.491 2.470 20 10 DECDRO C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC[NH2+]C1 ZINC000237593148 648379252 /nfs/dbraw/zinc/37/92/52/648379252.db2.gz HIUUYESHORKWLX-GOSISDBHSA-N 1 0 302.418 2.277 20 10 DECDRO CCOC(=O)CN(CC[NH+]1CCCCC1)Cc1ccccc1O ZINC000823576763 648445594 /nfs/dbraw/zinc/44/55/94/648445594.db2.gz XYODZEDUHMSGHL-UHFFFAOYSA-N 1 0 320.433 2.243 20 10 DECDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000824563770 648611648 /nfs/dbraw/zinc/61/16/48/648611648.db2.gz CDDOAZKUVUMYRN-QGZVFWFLSA-N 1 0 314.429 2.482 20 10 DECDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)OCO2 ZINC000824716714 648642225 /nfs/dbraw/zinc/64/22/25/648642225.db2.gz YISNNKMYNLWLMJ-MGPQQGTHSA-N 1 0 305.374 2.246 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000824983149 648681388 /nfs/dbraw/zinc/68/13/88/648681388.db2.gz RHIBWUZUSAPFCF-MRXNPFEDSA-N 1 0 309.431 2.101 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C2)ccc1N1CCCCC1 ZINC000825257019 648731806 /nfs/dbraw/zinc/73/18/06/648731806.db2.gz RCYAJRMGHFGUPF-OKILXGFUSA-N 1 0 305.378 2.198 20 10 DECDRO COCCCN(C)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825321041 648741182 /nfs/dbraw/zinc/74/11/82/648741182.db2.gz RSSZXAFKZNEPMX-UHFFFAOYSA-N 1 0 300.830 2.412 20 10 DECDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000825331206 648742710 /nfs/dbraw/zinc/74/27/10/648742710.db2.gz KKBFCTZJMGEGPN-CYBMUJFWSA-N 1 0 318.211 2.032 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1Cl ZINC000825366070 648749860 /nfs/dbraw/zinc/74/98/60/648749860.db2.gz RDTZNKFCYKVMMP-NSHDSACASA-N 1 0 303.811 2.021 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000825973883 648833472 /nfs/dbraw/zinc/83/34/72/648833472.db2.gz SCWOOUJBTWYKLL-QGZVFWFLSA-N 1 0 311.429 2.329 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000826020319 648838958 /nfs/dbraw/zinc/83/89/58/648838958.db2.gz RCFGXIKPULAEFP-WMLDXEAASA-N 1 0 303.450 2.489 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c(O)c1 ZINC000826780657 648926630 /nfs/dbraw/zinc/92/66/30/648926630.db2.gz NVQMFYQTMBTAQG-UHFFFAOYSA-N 1 0 302.374 2.161 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(Cl)c1 ZINC000827131970 648978846 /nfs/dbraw/zinc/97/88/46/648978846.db2.gz HOJQZVUJZNLUKE-FZMZJTMJSA-N 1 0 308.809 2.455 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2c(C3CC3)cnn2C)cc1OC ZINC000827251666 649000896 /nfs/dbraw/zinc/00/08/96/649000896.db2.gz KNFGHEVBTSBTSW-UHFFFAOYSA-N 1 0 317.389 2.310 20 10 DECDRO CCOC(=O)CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000070947935 649037379 /nfs/dbraw/zinc/03/73/79/649037379.db2.gz AJCSPMWRVUDCFK-UHFFFAOYSA-N 1 0 306.406 2.161 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)ccc1OC ZINC000827501509 649044050 /nfs/dbraw/zinc/04/40/50/649044050.db2.gz WXRRFECDYZZGMR-OTVXOJSOSA-N 1 0 307.390 2.273 20 10 DECDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827634249 649059680 /nfs/dbraw/zinc/05/96/80/649059680.db2.gz MLXYUYVIORQXLE-LBPRGKRZSA-N 1 0 308.809 2.490 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827634662 649059804 /nfs/dbraw/zinc/05/98/04/649059804.db2.gz XTEPQYFYJSBZLE-AWEZNQCLSA-N 1 0 302.418 2.399 20 10 DECDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000827751731 649080443 /nfs/dbraw/zinc/08/04/43/649080443.db2.gz WPWAIVRCZZVSOH-NVXWUHKLSA-N 1 0 321.373 2.332 20 10 DECDRO CCOc1ccc(O)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827855390 649095468 /nfs/dbraw/zinc/09/54/68/649095468.db2.gz BPOIZJLIEBNTCU-KRWDZBQOSA-N 1 0 322.449 2.334 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1F ZINC000829038128 649263865 /nfs/dbraw/zinc/26/38/65/649263865.db2.gz ABJHKCPBNPZGMX-MRXNPFEDSA-N 1 0 307.413 2.416 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC000185523298 649535038 /nfs/dbraw/zinc/53/50/38/649535038.db2.gz NWWIZUBGUODSMZ-KBPBESRZSA-N 1 0 309.406 2.495 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000831109951 649539561 /nfs/dbraw/zinc/53/95/61/649539561.db2.gz AUWBUQDXNXESGX-ZIAGYGMSSA-N 1 0 306.454 2.458 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)c2ccc(F)cc2)c1 ZINC000733328705 649544024 /nfs/dbraw/zinc/54/40/24/649544024.db2.gz YVBIBWDLNCVRRS-UHFFFAOYSA-N 1 0 302.349 2.359 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000733329013 649544055 /nfs/dbraw/zinc/54/40/55/649544055.db2.gz KAXKEHRNNMJVJH-QGZVFWFLSA-N 1 0 320.433 2.134 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831753120 649638457 /nfs/dbraw/zinc/63/84/57/649638457.db2.gz IMCVXQGZDUGPPD-KDOFPFPSSA-N 1 0 319.449 2.155 20 10 DECDRO Cc1ccccc1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293592 649693355 /nfs/dbraw/zinc/69/33/55/649693355.db2.gz YFFZHNYWSXAVGR-SFHVURJKSA-N 1 0 311.429 2.420 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc(F)cc2)cc1 ZINC000832293610 649693378 /nfs/dbraw/zinc/69/33/78/649693378.db2.gz YSKGZDUUOWWTOG-QGZVFWFLSA-N 1 0 315.392 2.250 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C[NH3+])c1 ZINC000844191405 651089429 /nfs/dbraw/zinc/08/94/29/651089429.db2.gz VFEPKBZTBFIYDF-UHFFFAOYSA-N 1 0 311.385 2.251 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c(C)n1-c1ccccn1 ZINC000844197917 651090445 /nfs/dbraw/zinc/09/04/45/651090445.db2.gz AUWOJVYBFAPNLF-HNNXBMFYSA-N 1 0 312.417 2.359 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC000844268807 651101394 /nfs/dbraw/zinc/10/13/94/651101394.db2.gz CLSDYEQUMRZHRT-INIZCTEOSA-N 1 0 301.434 2.387 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000844322399 651112182 /nfs/dbraw/zinc/11/21/82/651112182.db2.gz MGJMMPSETAPTQY-BLLLJJGKSA-N 1 0 303.406 2.386 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000844401343 651123401 /nfs/dbraw/zinc/12/34/01/651123401.db2.gz MESJIALZCWLNQZ-QGZVFWFLSA-N 1 0 319.449 2.073 20 10 DECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCS(=O)(=O)CC1 ZINC000846055178 651304817 /nfs/dbraw/zinc/30/48/17/651304817.db2.gz JNGIPGXSDQEDMD-JTQLQIEISA-N 1 0 317.838 2.349 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCS(=O)(=O)CC1 ZINC000846055180 651304910 /nfs/dbraw/zinc/30/49/10/651304910.db2.gz JNGIPGXSDQEDMD-SNVBAGLBSA-N 1 0 317.838 2.349 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000846138749 651310541 /nfs/dbraw/zinc/31/05/41/651310541.db2.gz NKIBGQAVYJQCRT-GFCCVEGCSA-N 1 0 318.417 2.452 20 10 DECDRO CC[C@@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000846697498 651346658 /nfs/dbraw/zinc/34/66/58/651346658.db2.gz RFSONYVAFKALGP-SFHVURJKSA-N 1 0 319.449 2.122 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)C2([NH3+])CCCCC2)cc1 ZINC000846697956 651346660 /nfs/dbraw/zinc/34/66/60/651346660.db2.gz ZGUZGWUZGQNUBF-UHFFFAOYSA-N 1 0 319.449 2.251 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000846932485 651362792 /nfs/dbraw/zinc/36/27/92/651362792.db2.gz BIGKTBMZKLMMEC-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848427391 651458394 /nfs/dbraw/zinc/45/83/94/651458394.db2.gz LKNFPZRQMGIKOW-SJLPKXTDSA-N 1 0 301.434 2.101 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848426746 651458455 /nfs/dbraw/zinc/45/84/55/651458455.db2.gz QKIWHXIPTMTGRB-APWZRJJASA-N 1 0 314.429 2.277 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000848562512 651470977 /nfs/dbraw/zinc/47/09/77/651470977.db2.gz DXWSARZRZZZDDK-UKRRQHHQSA-N 1 0 313.449 2.479 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848564149 651471505 /nfs/dbraw/zinc/47/15/05/651471505.db2.gz IHTPVKUSDBOMAZ-GOEBONIOSA-N 1 0 313.449 2.479 20 10 DECDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000848598988 651477356 /nfs/dbraw/zinc/47/73/56/651477356.db2.gz VYEVFOLDLSTYAB-CABZTGNLSA-N 1 0 318.343 2.002 20 10 DECDRO CCc1cccc(C[N@H+](C)CC(=O)NCc2ccco2)c1O ZINC000848879759 651542756 /nfs/dbraw/zinc/54/27/56/651542756.db2.gz BMFGEYZMDSFCNM-UHFFFAOYSA-N 1 0 302.374 2.296 20 10 DECDRO CCc1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000848888314 651546674 /nfs/dbraw/zinc/54/66/74/651546674.db2.gz RSBXNFNOWQAJRK-UHFFFAOYSA-N 1 0 304.434 2.251 20 10 DECDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000854738675 651548503 /nfs/dbraw/zinc/54/85/03/651548503.db2.gz NNZHSJGHWNFIFQ-WLPBJKJWSA-N 1 0 316.401 2.055 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000848906358 651555427 /nfs/dbraw/zinc/55/54/27/651555427.db2.gz VBJLIBQDUWXODK-UHFFFAOYSA-N 1 0 302.418 2.399 20 10 DECDRO C[C@H](O)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000848928444 651564740 /nfs/dbraw/zinc/56/47/40/651564740.db2.gz DKBJPKOXJCIMCU-ZDUSSCGKSA-N 1 0 308.397 2.008 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930252 651565028 /nfs/dbraw/zinc/56/50/28/651565028.db2.gz PIBLTGWOTAZTCC-MRXNPFEDSA-N 1 0 308.397 2.218 20 10 DECDRO c1nc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000108942151 651764046 /nfs/dbraw/zinc/76/40/46/651764046.db2.gz YHBQKJUTGIYWKB-UHFFFAOYSA-N 1 0 303.431 2.312 20 10 DECDRO COc1cc(C[NH2+][C@H](C)C(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850177932 651853523 /nfs/dbraw/zinc/85/35/23/651853523.db2.gz ORHLOJLKMFOMFD-LLVKDONJSA-N 1 0 308.422 2.265 20 10 DECDRO CO[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000850344015 651904051 /nfs/dbraw/zinc/90/40/51/651904051.db2.gz ZZNFUSQLZUZWJR-FPZRGXOSSA-N 1 0 304.434 2.407 20 10 DECDRO COc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1O ZINC000850345128 651905092 /nfs/dbraw/zinc/90/50/92/651905092.db2.gz KYJSMQUCEURUDO-UHFFFAOYSA-N 1 0 313.279 2.499 20 10 DECDRO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850365878 651912240 /nfs/dbraw/zinc/91/22/40/651912240.db2.gz SCMCDMUKAQKAEG-HNNXBMFYSA-N 1 0 312.360 2.037 20 10 DECDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CS1(=O)=O ZINC000850368737 651913699 /nfs/dbraw/zinc/91/36/99/651913699.db2.gz PJTICMPFRUUHHI-CABZTGNLSA-N 1 0 303.811 2.101 20 10 DECDRO CCOCc1cc(C[NH2+]CCN(C)C(=O)OC)ccc1OC ZINC000850389625 651917599 /nfs/dbraw/zinc/91/75/99/651917599.db2.gz AUZNFJQTVDHATH-UHFFFAOYSA-N 1 0 310.394 2.020 20 10 DECDRO CCOc1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000850395928 651919489 /nfs/dbraw/zinc/91/94/89/651919489.db2.gz FFDHCXOHZIDKDT-MRXNPFEDSA-N 1 0 320.433 2.134 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000850397784 651920720 /nfs/dbraw/zinc/92/07/20/651920720.db2.gz JREJWLCKAJFQAZ-UHFFFAOYSA-N 1 0 317.838 2.411 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)O1 ZINC000850406825 651923167 /nfs/dbraw/zinc/92/31/67/651923167.db2.gz VKMOBYFCAHCSDY-HBUWYVDXSA-N 1 0 304.434 2.303 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1O ZINC000850481562 651936993 /nfs/dbraw/zinc/93/69/93/651936993.db2.gz LPQWJRHAQQIIGA-MNOVXSKESA-N 1 0 302.296 2.340 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)cc1O ZINC000850545723 651949881 /nfs/dbraw/zinc/94/98/81/651949881.db2.gz DQANWCSWLNOXMG-SCZZXKLOSA-N 1 0 313.195 2.084 20 10 DECDRO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000850560105 651952569 /nfs/dbraw/zinc/95/25/69/651952569.db2.gz BRZGBOPYKREXLG-JSGCOSHPSA-N 1 0 321.396 2.472 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000850554957 651952990 /nfs/dbraw/zinc/95/29/90/651952990.db2.gz FTCUWMICSSTDJI-ZFWWWQNUSA-N 1 0 320.433 2.305 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3Cl)C2)cc1 ZINC000856795090 651985693 /nfs/dbraw/zinc/98/56/93/651985693.db2.gz ZDRAXJCFNIYWDK-ZDUSSCGKSA-N 1 0 320.824 2.451 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000851655485 652200152 /nfs/dbraw/zinc/20/01/52/652200152.db2.gz RCHLUGIIVYPSGC-UHFFFAOYSA-N 1 0 306.454 2.412 20 10 DECDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000851655182 652200158 /nfs/dbraw/zinc/20/01/58/652200158.db2.gz OWUVWNHEVAKQKT-UHFFFAOYSA-N 1 0 316.449 2.358 20 10 DECDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000851681065 652205762 /nfs/dbraw/zinc/20/57/62/652205762.db2.gz MMTYRKCBHMDXDO-ZDUSSCGKSA-N 1 0 304.438 2.035 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000858104166 652254880 /nfs/dbraw/zinc/25/48/80/652254880.db2.gz APICHWPNYRDUCF-UHFFFAOYSA-N 1 0 313.401 2.198 20 10 DECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143695 652265219 /nfs/dbraw/zinc/26/52/19/652265219.db2.gz RTTMPWBCXUYWNF-YMTOWFKASA-N 1 0 304.406 2.233 20 10 DECDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC000858169416 652270434 /nfs/dbraw/zinc/27/04/34/652270434.db2.gz UJEXJNOLGVDUMJ-HNNXBMFYSA-N 1 0 313.392 2.281 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851899186 652273760 /nfs/dbraw/zinc/27/37/60/652273760.db2.gz YWRBRPUGWKJYNP-WMLDXEAASA-N 1 0 320.433 2.325 20 10 DECDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858282006 652295604 /nfs/dbraw/zinc/29/56/04/652295604.db2.gz CFHURQWNPWAPLK-FSZRXZPDSA-N 1 0 304.434 2.425 20 10 DECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000852211623 652364374 /nfs/dbraw/zinc/36/43/74/652364374.db2.gz NKFGLLDMAQKIJN-CRAIPNDOSA-N 1 0 322.449 2.115 20 10 DECDRO C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc(N(C)C)cc1 ZINC000852261999 652374177 /nfs/dbraw/zinc/37/41/77/652374177.db2.gz XLMQNEILTAFUAS-ZDUSSCGKSA-N 1 0 304.438 2.017 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000852838959 652466819 /nfs/dbraw/zinc/46/68/19/652466819.db2.gz SVTMDOLQGFKJIX-INIZCTEOSA-N 1 0 301.434 2.050 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000852885960 652475178 /nfs/dbraw/zinc/47/51/78/652475178.db2.gz VXUPJABFAYIQEX-SECBINFHSA-N 1 0 319.361 2.074 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000853122073 652506360 /nfs/dbraw/zinc/50/63/60/652506360.db2.gz MCVBDXQOYITSCY-QZTJIDSGSA-N 1 0 304.434 2.041 20 10 DECDRO Oc1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000853550608 652567253 /nfs/dbraw/zinc/56/72/53/652567253.db2.gz KQYSWGQUHDRAJO-MRXNPFEDSA-N 1 0 312.413 2.452 20 10 DECDRO CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000853748246 652598182 /nfs/dbraw/zinc/59/81/82/652598182.db2.gz BWDSBXGCTRGNML-QGZVFWFLSA-N 1 0 318.465 2.297 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854314455 652676528 /nfs/dbraw/zinc/67/65/28/652676528.db2.gz JUUPFFGBPZWRCI-AWEZNQCLSA-N 1 0 305.422 2.406 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnc3ccccn32)c1 ZINC000390435590 685439950 /nfs/dbraw/zinc/43/99/50/685439950.db2.gz UTUIDKPTAPDTTD-LBPRGKRZSA-N 1 0 312.373 2.337 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000858589974 685563815 /nfs/dbraw/zinc/56/38/15/685563815.db2.gz FHSFRTMDTVQYDT-BCQZVRRWSA-N 1 0 319.361 2.273 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000858596609 685565635 /nfs/dbraw/zinc/56/56/35/685565635.db2.gz GXZQDDDLGVGENY-CQSZACIVSA-N 1 0 305.422 2.373 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000085324422 684008926 /nfs/dbraw/zinc/00/89/26/684008926.db2.gz XIZAJJTWQAGVIS-OAQYLSRUSA-N 1 0 305.399 2.428 20 10 DECDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000120856700 684102287 /nfs/dbraw/zinc/10/22/87/684102287.db2.gz ADIUKTRAYPYSPH-ZDUSSCGKSA-N 1 0 314.385 2.368 20 10 DECDRO CCN1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000125232979 684143478 /nfs/dbraw/zinc/14/34/78/684143478.db2.gz QQFLYSLVLCMGRF-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000132039990 684205185 /nfs/dbraw/zinc/20/51/85/684205185.db2.gz NORBAMARSLGUNJ-LLVKDONJSA-N 1 0 316.195 2.384 20 10 DECDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000193417642 685040729 /nfs/dbraw/zinc/04/07/29/685040729.db2.gz RIVJRSBTGAIPQC-OAHLLOKOSA-N 1 0 309.406 2.337 20 10 DECDRO Oc1ccc(Br)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300438749 685226791 /nfs/dbraw/zinc/22/67/91/685226791.db2.gz YWOXQQRAPYOTHW-GXFFZTMASA-N 1 0 311.223 2.339 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc1F ZINC000861573212 686147270 /nfs/dbraw/zinc/14/72/70/686147270.db2.gz DUFPOHHXCHWJQN-LBPRGKRZSA-N 1 0 310.417 2.161 20 10 DECDRO CN(C)c1cc(F)c(CN2CCC[C@@H](n3ccnn3)C2)cc1F ZINC000862397988 686292275 /nfs/dbraw/zinc/29/22/75/686292275.db2.gz SMPFKYYIOBLJNT-CYBMUJFWSA-N 1 0 321.375 2.459 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C)NC3)CC2)cc1 ZINC000863484005 686509097 /nfs/dbraw/zinc/50/90/97/686509097.db2.gz GIXHWPWLDGGLMA-GOEBONIOSA-N 1 0 303.450 2.394 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N2CCCCC2)cc1 ZINC000863545519 686519047 /nfs/dbraw/zinc/51/90/47/686519047.db2.gz ULLCTAURAIYNRO-DOTOQJQBSA-N 1 0 303.450 2.316 20 10 DECDRO [NH3+]C[C@H]1CN(Cc2cccc(F)c2O)CC[C@H]1C(F)(F)F ZINC000863645472 686538874 /nfs/dbraw/zinc/53/88/74/686538874.db2.gz IBWCUICTILEQQO-WDEREUQCSA-N 1 0 306.303 2.490 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N[C@H]3C[C@H]3C)C2)cc1 ZINC000864469098 686731212 /nfs/dbraw/zinc/73/12/12/686731212.db2.gz MFWHFQCSOSJTMB-IOASZLSFSA-N 1 0 302.422 2.044 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000865663006 687294404 /nfs/dbraw/zinc/29/44/04/687294404.db2.gz PBXFLSOIRIXKCA-GASCZTMLSA-N 1 0 319.405 2.446 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000865666497 687295395 /nfs/dbraw/zinc/29/53/95/687295395.db2.gz PUZBAXOWRIHCSG-SJORKVTESA-N 1 0 318.442 2.234 20 10 DECDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000865737896 687316995 /nfs/dbraw/zinc/31/69/95/687316995.db2.gz HEBCRDLPQHGPLQ-CXAGYDPISA-N 1 0 320.458 2.216 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865781326 687333061 /nfs/dbraw/zinc/33/30/61/687333061.db2.gz ZQFLFLMOBITCPP-MRXNPFEDSA-N 1 0 321.417 2.466 20 10 DECDRO CCOC(=O)/C=C\C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210605 694113483 /nfs/dbraw/zinc/11/34/83/694113483.db2.gz PDQDQMCHMRMWEI-XVWMLYKFSA-N 1 0 318.417 2.293 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1O ZINC000866716493 687663738 /nfs/dbraw/zinc/66/37/38/687663738.db2.gz PFXJPXDJCRWBND-BLLLJJGKSA-N 1 0 306.381 2.308 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868364654 687991745 /nfs/dbraw/zinc/99/17/45/687991745.db2.gz ARPFTBMVKLFXKW-UONOGXRCSA-N 1 0 305.422 2.484 20 10 DECDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000870257042 688524118 /nfs/dbraw/zinc/52/41/18/688524118.db2.gz PDSIDJCGOBIVQG-UHFFFAOYSA-N 1 0 304.390 2.188 20 10 DECDRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1O ZINC000872120245 688932221 /nfs/dbraw/zinc/93/22/21/688932221.db2.gz PMULOYOWPXMVSV-FUDCBSFHSA-N 1 0 309.431 2.399 20 10 DECDRO COc1cc(O)c(CN2CC[N@H+](C)C(C)(C)CC2)cc1OC ZINC000872695036 689066975 /nfs/dbraw/zinc/06/69/75/689066975.db2.gz CQGZEZKGTZNAIR-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cn1cccn1 ZINC000873007364 689139362 /nfs/dbraw/zinc/13/93/62/689139362.db2.gz NLHZDIQBIXVNLB-MRXNPFEDSA-N 1 0 301.390 2.209 20 10 DECDRO COCCCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873013873 689140707 /nfs/dbraw/zinc/14/07/07/689140707.db2.gz ILAOPHWYULZLHZ-UHFFFAOYSA-N 1 0 303.406 2.456 20 10 DECDRO CC[C@@H](COC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873057579 689149704 /nfs/dbraw/zinc/14/97/04/689149704.db2.gz VBMMWBNLYFEPHT-INIZCTEOSA-N 1 0 303.406 2.455 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)C[C@@H](C)O)cc1Cn1cccn1 ZINC000873059544 689150895 /nfs/dbraw/zinc/15/08/95/689150895.db2.gz TVMMDQARPYMXGA-HUUCEWRRSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)cc1Cn1cccn1 ZINC000873144805 689169726 /nfs/dbraw/zinc/16/97/26/689169726.db2.gz GSVPJYOVPYCJCK-WKILWMFISA-N 1 0 301.390 2.207 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000873177281 689177079 /nfs/dbraw/zinc/17/70/79/689177079.db2.gz CPBWZNHDUVBHJF-JLIMDTESSA-N 1 0 316.195 2.024 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000875094107 689570969 /nfs/dbraw/zinc/57/09/69/689570969.db2.gz YBINRKISBVKZTL-HZSPNIEDSA-N 1 0 303.406 2.379 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000876527667 689847652 /nfs/dbraw/zinc/84/76/52/689847652.db2.gz JXKWBWNBMADXNG-GOSISDBHSA-N 1 0 323.440 2.450 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000876561858 689857713 /nfs/dbraw/zinc/85/77/13/689857713.db2.gz UXROWLHUTVYQIB-GOSISDBHSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(O)c1 ZINC000876583165 689865562 /nfs/dbraw/zinc/86/55/62/689865562.db2.gz GGVFNCDEXQTSPO-MRXNPFEDSA-N 1 0 302.418 2.439 20 10 DECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000876728522 689918202 /nfs/dbraw/zinc/91/82/02/689918202.db2.gz OPIHKBAAMUWNTB-BSDKJSHOSA-N 1 0 313.445 2.459 20 10 DECDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876752728 689926642 /nfs/dbraw/zinc/92/66/42/689926642.db2.gz XMPJBXAFQPMACS-OAHLLOKOSA-N 1 0 304.434 2.259 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](CO)C(C)(C)C ZINC000876790181 689937181 /nfs/dbraw/zinc/93/71/81/689937181.db2.gz VMVCPFSVMWEBIT-SFHVURJKSA-N 1 0 320.477 2.487 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](CO)C(C)(C)C ZINC000876790180 689937452 /nfs/dbraw/zinc/93/74/52/689937452.db2.gz VMVCPFSVMWEBIT-GOSISDBHSA-N 1 0 320.477 2.487 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000876804895 689942505 /nfs/dbraw/zinc/94/25/05/689942505.db2.gz VSTJDUKLXZQPBF-LPHOPBHVSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)c(O)c1 ZINC000876920422 689973087 /nfs/dbraw/zinc/97/30/87/689973087.db2.gz QTOOCDZCPWVFPW-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000876965892 689984979 /nfs/dbraw/zinc/98/49/79/689984979.db2.gz MONQLUGMVFWXAO-HNNXBMFYSA-N 1 0 301.390 2.057 20 10 DECDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000876989475 689991987 /nfs/dbraw/zinc/99/19/87/689991987.db2.gz VEGIXBAGKJQKSZ-JSGCOSHPSA-N 1 0 307.413 2.429 20 10 DECDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877036460 690004280 /nfs/dbraw/zinc/00/42/80/690004280.db2.gz QWHKVSKKXSIYBL-GOSISDBHSA-N 1 0 306.450 2.288 20 10 DECDRO CC1(O)CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877075337 690013074 /nfs/dbraw/zinc/01/30/74/690013074.db2.gz MCGYWCXCVSMOFZ-UHFFFAOYSA-N 1 0 318.461 2.431 20 10 DECDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877154222 690032055 /nfs/dbraw/zinc/03/20/55/690032055.db2.gz NISXJVVJJFYGFC-MRXNPFEDSA-N 1 0 317.477 2.222 20 10 DECDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)cc1O ZINC000877423672 690108265 /nfs/dbraw/zinc/10/82/65/690108265.db2.gz IZGZPBMSUSBYII-HUUCEWRRSA-N 1 0 307.390 2.243 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000877435400 690112555 /nfs/dbraw/zinc/11/25/55/690112555.db2.gz DYUWQCMZWYCHDZ-LLVKDONJSA-N 1 0 316.323 2.201 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000877518389 690138270 /nfs/dbraw/zinc/13/82/70/690138270.db2.gz IFUQFYCACWHFRY-CQSZACIVSA-N 1 0 318.339 2.053 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)[C@@H]1n1cccn1 ZINC000877555394 690150555 /nfs/dbraw/zinc/15/05/55/690150555.db2.gz WUQMAUCCLAADLJ-OIISXLGYSA-N 1 0 301.390 2.405 20 10 DECDRO CCn1ncnc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000877592713 690161401 /nfs/dbraw/zinc/16/14/01/690161401.db2.gz SDWFCCDTRHBTFA-AWEZNQCLSA-N 1 0 301.438 2.393 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3snnc3C)C2)cc1 ZINC000877620735 690170159 /nfs/dbraw/zinc/17/01/59/690170159.db2.gz MTAYFKSAXDBQJK-GFCCVEGCSA-N 1 0 304.419 2.224 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000877666122 690183619 /nfs/dbraw/zinc/18/36/19/690183619.db2.gz XAAMTWJTMGWPRJ-RTBURBONSA-N 1 0 312.413 2.377 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1c(Br)cnn1C ZINC000877672821 690185587 /nfs/dbraw/zinc/18/55/87/690185587.db2.gz BJPLTAACVNAXHT-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCCCCNC(=O)CC2)c1 ZINC000877686206 690191298 /nfs/dbraw/zinc/19/12/98/690191298.db2.gz PYAPJORDXAKUHL-UHFFFAOYSA-N 1 0 306.406 2.283 20 10 DECDRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877755570 690217525 /nfs/dbraw/zinc/21/75/25/690217525.db2.gz FSZLUHZTUKKPOK-CQSZACIVSA-N 1 0 320.433 2.460 20 10 DECDRO Cc1cccc(O)c1C[N@H+](C)CCN1CC2(C1)CCOCC2 ZINC000877766292 690220192 /nfs/dbraw/zinc/22/01/92/690220192.db2.gz WVRZRGMIWABHEP-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC000877782077 690226337 /nfs/dbraw/zinc/22/63/37/690226337.db2.gz KALTWQQVGAMMOD-ARJAWSKDSA-N 1 0 313.445 2.368 20 10 DECDRO Cc1cc(C[NH+]2CCC(c3nnc(N)o3)CC2)ccc1N(C)C ZINC000878814734 690506227 /nfs/dbraw/zinc/50/62/27/690506227.db2.gz SPXGDFXXEASBGZ-UHFFFAOYSA-N 1 0 315.421 2.406 20 10 DECDRO Cc1cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)ccc1N1CCCCC1 ZINC000878881800 690520339 /nfs/dbraw/zinc/52/03/39/690520339.db2.gz PYSYKTKDIIOHBI-QZTJIDSGSA-N 1 0 318.461 2.303 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648977 690699068 /nfs/dbraw/zinc/69/90/68/690699068.db2.gz IHZKJQIPRALQHU-SNVBAGLBSA-N 1 0 302.378 2.032 20 10 DECDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccccc1O ZINC000931553872 694427765 /nfs/dbraw/zinc/42/77/65/694427765.db2.gz IGVRYGFRCWYHDT-QWHCGFSZSA-N 1 0 306.406 2.069 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886262306 692038427 /nfs/dbraw/zinc/03/84/27/692038427.db2.gz OHOKHMYMFRZFJO-YWAMHZTHSA-N 1 0 304.434 2.020 20 10 DECDRO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1c([O-])cccc1F ZINC000886522918 692100721 /nfs/dbraw/zinc/10/07/21/692100721.db2.gz TUJBVAJYTWAMIJ-AWEZNQCLSA-N 1 0 323.456 2.456 20 10 DECDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749077 692181794 /nfs/dbraw/zinc/18/17/94/692181794.db2.gz IXPGENYNYCRVRC-DYVFJYSZSA-N 1 0 301.434 2.276 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1F ZINC000896378605 693000184 /nfs/dbraw/zinc/00/01/84/693000184.db2.gz SVJJDXQGCPCNTI-NSHDSACASA-N 1 0 312.360 2.226 20 10 DECDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925501497 693284587 /nfs/dbraw/zinc/28/45/87/693284587.db2.gz ISZYFTXJZMUHOK-DYVFJYSZSA-N 1 0 321.440 2.017 20 10 DECDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000925785296 693341795 /nfs/dbraw/zinc/34/17/95/693341795.db2.gz WAQCRDWIRZTXJP-IIYDPXPESA-N 1 0 323.868 2.435 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cnn(C)n3)C2)cc1 ZINC000926612256 693478716 /nfs/dbraw/zinc/47/87/16/693478716.db2.gz MZWWCZPESIGNPN-KBPBESRZSA-N 1 0 315.421 2.001 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC3(OC)OC)C2)cc1 ZINC000926612707 693479034 /nfs/dbraw/zinc/47/90/34/693479034.db2.gz RMQPQUYCCROYHD-PBHICJAKSA-N 1 0 320.433 2.263 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000927132914 693558803 /nfs/dbraw/zinc/55/88/03/693558803.db2.gz OPXCQGCSCTYWDC-WBVHZDCISA-N 1 0 302.422 2.260 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@@H]1C ZINC001335724078 1150511262 /nfs/dbraw/zinc/51/12/62/1150511262.db2.gz FUBWBHOVBSYEHD-XJKSGUPXSA-N 1 0 304.438 2.283 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001345393096 1150887001 /nfs/dbraw/zinc/88/70/01/1150887001.db2.gz RXSZRXQCWWNCBU-OLZOCXBDSA-N 1 0 321.421 2.245 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1O ZINC001347233643 1151050018 /nfs/dbraw/zinc/05/00/18/1151050018.db2.gz OPGJECSRYNGTLL-AYRXBEOTSA-N 1 0 303.406 2.093 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1cccs1 ZINC001356547668 1152088869 /nfs/dbraw/zinc/08/88/69/1152088869.db2.gz HSWQVRPDXODCFH-CQSZACIVSA-N 1 0 318.446 2.432 20 10 DECDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001332426094 1149859263 /nfs/dbraw/zinc/85/92/63/1149859263.db2.gz KQMRMSJOEVKUMV-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3[C@H](C)C[NH2+]C[C@@H]3C)cc2)CC1 ZINC001209873687 776775592 /nfs/dbraw/zinc/77/55/92/776775592.db2.gz FMWWQOSLUOGDHD-CALCHBBNSA-N 1 0 316.493 2.011 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)n2cccc2)cc1C ZINC001125766709 777634612 /nfs/dbraw/zinc/63/46/12/777634612.db2.gz IWMSADAWFJSFDV-HNNXBMFYSA-N 1 0 315.417 2.272 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@@H](C)OC)cc1C ZINC001126042920 778497049 /nfs/dbraw/zinc/49/70/49/778497049.db2.gz JJGCYTWDJAUTDS-CQSZACIVSA-N 1 0 308.422 2.025 20 10 DECDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509544 790941180 /nfs/dbraw/zinc/94/11/80/790941180.db2.gz YFFOKUHJKOXTFS-UHFFFAOYSA-N 1 0 323.389 2.357 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccco2)cc1C ZINC001168924039 784970572 /nfs/dbraw/zinc/97/05/72/784970572.db2.gz XFRBTYDJRZPEPG-UHFFFAOYSA-N 1 0 316.401 2.435 20 10 DECDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691490212 786083569 /nfs/dbraw/zinc/08/35/69/786083569.db2.gz ULZAEGGCBGYAEQ-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2onc(C)c2C)cc1C ZINC001130070327 787281525 /nfs/dbraw/zinc/28/15/25/787281525.db2.gz WLTJQVTVJNLYSN-UHFFFAOYSA-N 1 0 317.389 2.128 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[C@@H](C)O2)cc1C ZINC001133325086 788362608 /nfs/dbraw/zinc/36/26/08/788362608.db2.gz ZBKXIQXSZGDRHI-ZBFHGGJFSA-N 1 0 320.433 2.167 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC23CCC3)cc1C ZINC001134450237 788927846 /nfs/dbraw/zinc/92/78/46/788927846.db2.gz WGSKWCABQKQCHC-HNNXBMFYSA-N 1 0 302.418 2.400 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)cc1C ZINC001173750394 793836421 /nfs/dbraw/zinc/83/64/21/793836421.db2.gz ICQJPQOJBNOOAN-CABCVRRESA-N 1 0 301.394 2.264 20 10 DECDRO C[NH+](C)CC1(C(=O)NCc2cccc(O)c2O)CCCCC1 ZINC001176564656 794457805 /nfs/dbraw/zinc/45/78/05/794457805.db2.gz COQUHAMSZMSTHZ-UHFFFAOYSA-N 1 0 306.406 2.226 20 10 DECDRO CCC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001177554236 794690746 /nfs/dbraw/zinc/69/07/46/794690746.db2.gz RPAQEGBHOHRSDN-UHFFFAOYSA-N 1 0 307.413 2.382 20 10 DECDRO COc1cccc(O)c1C[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC001117592152 795087455 /nfs/dbraw/zinc/08/74/55/795087455.db2.gz PVJRBNWBADTURV-UHFFFAOYSA-N 1 0 300.358 2.132 20 10 DECDRO CS(=O)(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC001118179547 795162755 /nfs/dbraw/zinc/16/27/55/795162755.db2.gz XVCCQLPDEDWOHC-UHFFFAOYSA-N 1 0 320.414 2.095 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)ccc1N1CCOCC1 ZINC001179834035 795184417 /nfs/dbraw/zinc/18/44/17/795184417.db2.gz AJNRBROZYORUPD-YSVLISHTSA-N 1 0 306.381 2.072 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N[C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001180130376 795239117 /nfs/dbraw/zinc/23/91/17/795239117.db2.gz LDIQVPPZKOETCK-VEGGFIAOSA-N 1 0 301.434 2.366 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)NC2C[NH+](C(C)(C)C)C2)cc1 ZINC001180130472 795239172 /nfs/dbraw/zinc/23/91/72/795239172.db2.gz QBPXMEOYOYWJAD-DHZHZOJOSA-N 1 0 301.434 2.365 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001180126410 795245664 /nfs/dbraw/zinc/24/56/64/795245664.db2.gz RGZZTJJVVBRBOT-VTGMHELGSA-N 1 0 313.445 2.318 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001180977418 795401071 /nfs/dbraw/zinc/40/10/71/795401071.db2.gz OSYXNTDCJJXFRB-FUHWJXTLSA-N 1 0 323.433 2.426 20 10 DECDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(N)cc3)CC2)n1 ZINC001120371285 795448832 /nfs/dbraw/zinc/44/88/32/795448832.db2.gz UMXPCYOCNKZJRM-UHFFFAOYSA-N 1 0 317.462 2.395 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC001120616554 795499643 /nfs/dbraw/zinc/49/96/43/795499643.db2.gz BOWDNYLPFHDZNL-ZIAGYGMSSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001120676927 795511152 /nfs/dbraw/zinc/51/11/52/795511152.db2.gz GSWIEBNZTBCPAJ-CYBMUJFWSA-N 1 0 304.438 2.141 20 10 DECDRO [NH3+]Cc1nccnc1NCc1ccc(N2CCSCC2)cc1 ZINC001120804335 795534076 /nfs/dbraw/zinc/53/40/76/795534076.db2.gz SWNHSLOZCYRRQQ-UHFFFAOYSA-N 1 0 315.446 2.101 20 10 DECDRO Nc1ccc(CC(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc1 ZINC001122247670 795739160 /nfs/dbraw/zinc/73/91/60/795739160.db2.gz JSBIQEXWQNCIGW-HNNXBMFYSA-N 1 0 309.413 2.366 20 10 DECDRO CCc1ocnc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125112628 796103374 /nfs/dbraw/zinc/10/33/74/796103374.db2.gz HZRQXUXNSFJNMK-UHFFFAOYSA-N 1 0 317.389 2.074 20 10 DECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337575 796199169 /nfs/dbraw/zinc/19/91/69/796199169.db2.gz ASDKCALMCRNLEK-HIFRSBDPSA-N 1 0 316.445 2.294 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1O ZINC001138338376 796199354 /nfs/dbraw/zinc/19/93/54/796199354.db2.gz QCBFRZZPJWGVAJ-DYVFJYSZSA-N 1 0 316.445 2.294 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)NC)c(OC)c1 ZINC001138389117 796210591 /nfs/dbraw/zinc/21/05/91/796210591.db2.gz KHRNHMMGKPRWJM-UHFFFAOYSA-N 1 0 307.438 2.109 20 10 DECDRO Oc1cc2c(cc1O)CN(Cc1cn3ccncc3n1)CCC2 ZINC001139699977 796412627 /nfs/dbraw/zinc/41/26/27/796412627.db2.gz SOLQQDLSOGGKIV-UHFFFAOYSA-N 1 0 310.357 2.089 20 10 DECDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140056072 796471572 /nfs/dbraw/zinc/47/15/72/796471572.db2.gz GUFOZKDJNSTMSN-CQSZACIVSA-N 1 0 303.337 2.283 20 10 DECDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1c(C)ccc(C)c1O)C2 ZINC001140184507 796487390 /nfs/dbraw/zinc/48/73/90/796487390.db2.gz XDDNNZVQTLPVAI-HNNXBMFYSA-N 1 0 319.401 2.021 20 10 DECDRO Cc1ccc(C)c(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC001140180317 796487610 /nfs/dbraw/zinc/48/76/10/796487610.db2.gz VBPRLWLLVQNFLY-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc2)CC1 ZINC001140283591 796501596 /nfs/dbraw/zinc/50/15/96/796501596.db2.gz XEGGCCQXEILGQM-WBAXXEDZSA-N 1 0 304.409 2.438 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@H]1O ZINC001140283200 796501662 /nfs/dbraw/zinc/50/16/62/796501662.db2.gz OUEVBOLJGRLHLM-HNAYVOBHSA-N 1 0 318.461 2.241 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@]1(C)O ZINC001140282903 796501977 /nfs/dbraw/zinc/50/19/77/796501977.db2.gz JZIJRDGFBHKOLR-KXBFYZLASA-N 1 0 318.461 2.241 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc2)CC1 ZINC001140287359 796502407 /nfs/dbraw/zinc/50/24/07/796502407.db2.gz QPFVAVGGJCOHEH-SFHVURJKSA-N 1 0 302.418 2.013 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@@H](C)C3)cc2)CC1 ZINC001140301948 796504019 /nfs/dbraw/zinc/50/40/19/796504019.db2.gz FFVTYPCWFSVXPZ-INIZCTEOSA-N 1 0 303.450 2.049 20 10 DECDRO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624438 796546561 /nfs/dbraw/zinc/54/65/61/796546561.db2.gz WLXNPGXBFZZRHU-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO COC[C@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2ncn(C)c21 ZINC001140620811 796546745 /nfs/dbraw/zinc/54/67/45/796546745.db2.gz BYLVHEKQEGKXAD-CQSZACIVSA-N 1 0 301.390 2.180 20 10 DECDRO COc1cccnc1N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140623847 796546937 /nfs/dbraw/zinc/54/69/37/796546937.db2.gz URBASIURKKHTTK-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001140750034 796567759 /nfs/dbraw/zinc/56/77/59/796567759.db2.gz TZOUQVXQXTZNFJ-OAHLLOKOSA-N 1 0 318.417 2.287 20 10 DECDRO Cc1c(O)ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c1O ZINC001140751059 796567798 /nfs/dbraw/zinc/56/77/98/796567798.db2.gz HZGIAUCXQZDFKL-GJZGRUSLSA-N 1 0 308.397 2.414 20 10 DECDRO COc1cc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)ccn1 ZINC001140954119 796606510 /nfs/dbraw/zinc/60/65/10/796606510.db2.gz MHRIHTFUHLYBDL-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(O)c1 ZINC001140952349 796606662 /nfs/dbraw/zinc/60/66/62/796606662.db2.gz OLCINEOSIKYGEH-HOTGVXAUSA-N 1 0 300.402 2.001 20 10 DECDRO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140952371 796606799 /nfs/dbraw/zinc/60/67/99/796606799.db2.gz PHLABXBQZXZNPU-AWEZNQCLSA-N 1 0 301.390 2.176 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)c(OC)c1 ZINC001141031333 796621468 /nfs/dbraw/zinc/62/14/68/796621468.db2.gz DFIIYKSAMLPMFM-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001141032553 796621948 /nfs/dbraw/zinc/62/19/48/796621948.db2.gz GKKCNGNCDWSHRH-DGCLKSJQSA-N 1 0 305.374 2.210 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CC(C)(C)C[C@@]3(C)CO)ccc21 ZINC001141140545 796639016 /nfs/dbraw/zinc/63/90/16/796639016.db2.gz NRIUBQGQOYTLRF-SFHVURJKSA-N 1 0 304.434 2.498 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC001141156341 796641125 /nfs/dbraw/zinc/64/11/25/796641125.db2.gz JYNQOZOOZCPXEE-CYBMUJFWSA-N 1 0 305.296 2.377 20 10 DECDRO CCC(=O)N(CC)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162618 796643158 /nfs/dbraw/zinc/64/31/58/796643158.db2.gz XNLJSDQVPGGHAV-UHFFFAOYSA-N 1 0 306.406 2.321 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153884296 797416658 /nfs/dbraw/zinc/41/66/58/797416658.db2.gz BHHOSJJFBPRSAN-OAHLLOKOSA-N 1 0 304.390 2.121 20 10 DECDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236474 797527952 /nfs/dbraw/zinc/52/79/52/797527952.db2.gz DUARPCNNTQMLQV-UHFFFAOYSA-N 1 0 300.786 2.069 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCOC2)cc1C ZINC001155657154 797818730 /nfs/dbraw/zinc/81/87/30/797818730.db2.gz SEIUJKXDHIDPEC-MRXNPFEDSA-N 1 0 320.433 2.026 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C(=O)C(C)(C)C)cc1C ZINC001155905898 797877655 /nfs/dbraw/zinc/87/76/55/797877655.db2.gz WZLMERUDYJVBGG-UHFFFAOYSA-N 1 0 320.433 2.215 20 10 DECDRO CN(C)c1nc(CC[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC001200280539 798606418 /nfs/dbraw/zinc/60/64/18/798606418.db2.gz BUOSZSCRIUCJCY-UHFFFAOYSA-N 1 0 303.431 2.476 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CO[C@@H](C)C2)cc1C ZINC001161331338 798829354 /nfs/dbraw/zinc/82/93/54/798829354.db2.gz KFDSJJIVRPGBMF-HOCLYGCPSA-N 1 0 320.433 2.025 20 10 DECDRO Oc1ccccc1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001203556491 800077847 /nfs/dbraw/zinc/07/78/47/800077847.db2.gz QIPUAGZNTJHDPI-UHFFFAOYSA-N 1 0 304.781 2.158 20 10 DECDRO COc1ccnc(OC2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC001203561725 800081024 /nfs/dbraw/zinc/08/10/24/800081024.db2.gz YJYLAAZMQPUKEU-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO COc1cccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c1O ZINC001203600257 800087563 /nfs/dbraw/zinc/08/75/63/800087563.db2.gz ZYHNAZUDIIIJBK-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001203615297 800090371 /nfs/dbraw/zinc/09/03/71/800090371.db2.gz PTYIVRNJFSPGRU-KRWDZBQOSA-N 1 0 305.374 2.463 20 10 DECDRO COc1ccc(C[NH+]2CCN(c3ccc(C)cn3)CC2)c(O)c1 ZINC001203628075 800094343 /nfs/dbraw/zinc/09/43/43/800094343.db2.gz YPZDMTWTCTTWDI-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001203635049 800097031 /nfs/dbraw/zinc/09/70/31/800097031.db2.gz HPZAVUIVXQYJOE-HNNXBMFYSA-N 1 0 315.373 2.153 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001203635190 800097415 /nfs/dbraw/zinc/09/74/15/800097415.db2.gz OAQAIQXHNPJGIW-OAHLLOKOSA-N 1 0 315.373 2.153 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c1 ZINC001203673337 800104073 /nfs/dbraw/zinc/10/40/73/800104073.db2.gz VQERMTWHDSWHSH-HNNXBMFYSA-N 1 0 318.417 2.091 20 10 DECDRO COc1ccc(O)c(CN2CCO[C@H](c3ccncc3)C2)c1 ZINC001203680154 800105031 /nfs/dbraw/zinc/10/50/31/800105031.db2.gz HKIHHTFXEDPDDR-KRWDZBQOSA-N 1 0 300.358 2.369 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c1 ZINC001203680915 800105356 /nfs/dbraw/zinc/10/53/56/800105356.db2.gz JNIXPYXTRPUCSD-HNNXBMFYSA-N 1 0 315.373 2.153 20 10 DECDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878144 800138642 /nfs/dbraw/zinc/13/86/42/800138642.db2.gz CETZZYLQLAVEPU-UHFFFAOYSA-N 1 0 306.406 2.225 20 10 DECDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203882240 800139865 /nfs/dbraw/zinc/13/98/65/800139865.db2.gz AJCRCFGKBROHBU-CQSZACIVSA-N 1 0 300.358 2.455 20 10 DECDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC001203931518 800147672 /nfs/dbraw/zinc/14/76/72/800147672.db2.gz ILULXOIFRCPTHI-IAGOWNOFSA-N 1 0 323.444 2.111 20 10 DECDRO CCNC(=O)OC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203935631 800149054 /nfs/dbraw/zinc/14/90/54/800149054.db2.gz AGUOKIWUVIUWTK-UHFFFAOYSA-N 1 0 305.422 2.463 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c2ccccc21 ZINC001204240487 800192981 /nfs/dbraw/zinc/19/29/81/800192981.db2.gz VCYHEIQYYHUWAN-KSSFIOAISA-N 1 0 323.440 2.474 20 10 DECDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274847 800198016 /nfs/dbraw/zinc/19/80/16/800198016.db2.gz UQHAFMZVFUZQLC-OAHLLOKOSA-N 1 0 321.417 2.363 20 10 DECDRO Oc1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204272776 800198160 /nfs/dbraw/zinc/19/81/60/800198160.db2.gz RTUNGIZGEOMVAP-UHFFFAOYSA-N 1 0 300.358 2.126 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204271728 800198281 /nfs/dbraw/zinc/19/82/81/800198281.db2.gz DBDOGDUUJYPSAH-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO COC1CC[NH+](C2CCN(Cc3ccc(O)cc3O)CC2)CC1 ZINC001204278177 800198982 /nfs/dbraw/zinc/19/89/82/800198982.db2.gz WPPURGVLFASNJV-UHFFFAOYSA-N 1 0 320.433 2.173 20 10 DECDRO Oc1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c(O)c1 ZINC001204278884 800200850 /nfs/dbraw/zinc/20/08/50/800200850.db2.gz LSTCDEYXTNMDSJ-UHFFFAOYSA-N 1 0 319.792 2.468 20 10 DECDRO COc1cc(CN2CCC([NH+]3CCCC3)CC2)cc(O)c1O ZINC001204340515 800206532 /nfs/dbraw/zinc/20/65/32/800206532.db2.gz VKUWUAYZCNXZBS-UHFFFAOYSA-N 1 0 306.406 2.167 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)cc(O)c1O ZINC001204346395 800206888 /nfs/dbraw/zinc/20/68/88/800206888.db2.gz NTESCJNMWJAFJU-LBPRGKRZSA-N 1 0 311.353 2.199 20 10 DECDRO CCN(CC[NH+]1CCCCC1)Cc1cc(O)c(O)c(OC)c1 ZINC001204344753 800206963 /nfs/dbraw/zinc/20/69/63/800206963.db2.gz CJEFIYCHDSDEKR-UHFFFAOYSA-N 1 0 308.422 2.414 20 10 DECDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001205075415 800294065 /nfs/dbraw/zinc/29/40/65/800294065.db2.gz JHZJBLGKZVKBRD-ZFWWWQNUSA-N 1 0 323.868 2.488 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC001205403237 800353664 /nfs/dbraw/zinc/35/36/64/800353664.db2.gz VYUDBQZDUZZQNN-AWEZNQCLSA-N 1 0 312.369 2.296 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206674039 800572091 /nfs/dbraw/zinc/57/20/91/800572091.db2.gz COFNODNQQHZZLZ-OAHLLOKOSA-N 1 0 313.392 2.407 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H](O)c2c(C)nn(C)c2C)c1O ZINC001207787913 800834006 /nfs/dbraw/zinc/83/40/06/800834006.db2.gz ROEVOXYHKVLMJX-OAHLLOKOSA-N 1 0 303.406 2.128 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c(O)cc1O ZINC001231635729 801700158 /nfs/dbraw/zinc/70/01/58/801700158.db2.gz HJTDJFWNSKVZTA-PVXIVEMSSA-N 1 0 307.390 2.353 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c(O)cc1O ZINC001231633600 801701058 /nfs/dbraw/zinc/70/10/58/801701058.db2.gz QEKVJEJIISRJOG-CYBMUJFWSA-N 1 0 307.390 2.091 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c(O)cc1O ZINC001231637778 801702398 /nfs/dbraw/zinc/70/23/98/801702398.db2.gz RTYXTBPPJIJXGJ-ZDUSSCGKSA-N 1 0 307.390 2.355 20 10 DECDRO Cc1cc(O)c(CN2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC001231869814 801742571 /nfs/dbraw/zinc/74/25/71/801742571.db2.gz ZPZCFBJKYIFPHT-UHFFFAOYSA-N 1 0 311.857 2.033 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(n3cnnc3)CC2)cc1Cl ZINC001232262542 801830542 /nfs/dbraw/zinc/83/05/42/801830542.db2.gz ISNIEHZMSILMRU-UHFFFAOYSA-N 1 0 308.769 2.180 20 10 DECDRO COC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c2ccccc2n1C ZINC001232403404 801872470 /nfs/dbraw/zinc/87/24/70/801872470.db2.gz XSRVSJUYDNBLEZ-STQMWFEESA-N 1 0 316.401 2.168 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c2ccccc2n1C ZINC001232406122 801872490 /nfs/dbraw/zinc/87/24/90/801872490.db2.gz UPGFIMRHZXJMKV-STQMWFEESA-N 1 0 316.401 2.310 20 10 DECDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840571 801968991 /nfs/dbraw/zinc/96/89/91/801968991.db2.gz ZTCNAAKRLKEONO-ZDUSSCGKSA-N 1 0 306.406 2.233 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840056 801969332 /nfs/dbraw/zinc/96/93/32/801969332.db2.gz LKCXOBUZZKXBSC-GXTWGEPZSA-N 1 0 306.406 2.089 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001232841667 801970872 /nfs/dbraw/zinc/97/08/72/801970872.db2.gz NWMQHESXGXDXSY-OAHLLOKOSA-N 1 0 306.406 2.186 20 10 DECDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC001233080591 802022218 /nfs/dbraw/zinc/02/22/18/802022218.db2.gz XIKLSLSQBUNVAZ-CYBMUJFWSA-N 1 0 314.376 2.213 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(CCCO)CC2)c1 ZINC001233284059 802064582 /nfs/dbraw/zinc/06/45/82/802064582.db2.gz GPJBYHRYEMTIQY-UHFFFAOYSA-N 1 0 306.450 2.190 20 10 DECDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451343 802119787 /nfs/dbraw/zinc/11/97/87/802119787.db2.gz HFCGHKVVFQEAEQ-SNVBAGLBSA-N 1 0 302.296 2.108 20 10 DECDRO CC(=O)N1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)C1 ZINC001233455075 802121841 /nfs/dbraw/zinc/12/18/41/802121841.db2.gz UZUNLZCNDZUJHZ-JTQLQIEISA-N 1 0 316.323 2.464 20 10 DECDRO C[NH2+][C@H]1C[C@@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)C1 ZINC001217956677 802123298 /nfs/dbraw/zinc/12/32/98/802123298.db2.gz XSZQFPGWKNURIF-PHIMTYICSA-N 1 0 323.348 2.297 20 10 DECDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1C ZINC001233487765 802129667 /nfs/dbraw/zinc/12/96/67/802129667.db2.gz RFGFAGHUSGPQTP-NWDGAFQWSA-N 1 0 323.389 2.215 20 10 DECDRO COc1ccc2c(c1O[C@H]1CC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218183848 802152541 /nfs/dbraw/zinc/15/25/41/802152541.db2.gz VDXWHCSLSOQDQG-NSHDSACASA-N 1 0 323.348 2.211 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C=CC[NH2+]C3)ccc21 ZINC001218333223 802168489 /nfs/dbraw/zinc/16/84/89/802168489.db2.gz HFAOUELFOAZHNB-CYBMUJFWSA-N 1 0 305.333 2.369 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727251 802191151 /nfs/dbraw/zinc/19/11/51/802191151.db2.gz KXKVFHDRRNPMNF-JTQLQIEISA-N 1 0 305.296 2.495 20 10 DECDRO Oc1c(CN2CC[N@@H+]3CC[C@H]3C2)cccc1OC(F)(F)F ZINC001233776251 802207548 /nfs/dbraw/zinc/20/75/48/802207548.db2.gz NQJCXDOTPSPFLF-NSHDSACASA-N 1 0 302.296 2.181 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000315015886 802442188 /nfs/dbraw/zinc/44/21/88/802442188.db2.gz UZPHFLDHEITPQP-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO [NH3+][C@@]12CC[C@@](NC(=O)c3ccc(O)c(O)c3Cl)(C1)CCC2 ZINC001220783888 802497691 /nfs/dbraw/zinc/49/76/91/802497691.db2.gz GQBZBFDCIPFBPC-LSDHHAIUSA-N 1 0 310.781 2.285 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001335447084 1150419635 /nfs/dbraw/zinc/41/96/35/1150419635.db2.gz CQSSRVMYAADVBG-INIZCTEOSA-N 1 0 318.465 2.392 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccco1 ZINC001335472373 1150427335 /nfs/dbraw/zinc/42/73/35/1150427335.db2.gz XBIKPWPKTSNATN-LBPRGKRZSA-N 1 0 307.346 2.480 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1F ZINC001331565870 1149535194 /nfs/dbraw/zinc/53/51/94/1149535194.db2.gz PVYRWCKOHFESDM-HNNXBMFYSA-N 1 0 322.424 2.255 20 10 DECDRO OC1(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001343286998 1150728389 /nfs/dbraw/zinc/72/83/89/1150728389.db2.gz UDQAUECLSMKWCT-UHFFFAOYSA-N 1 0 304.434 2.308 20 10 DECDRO C/C(=C\C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)c1cnccn1 ZINC001574971464 1069313812 /nfs/dbraw/zinc/31/38/12/1069313812.db2.gz DIUCIRMTUIRLOF-MAUPQMMJSA-N 1 0 308.385 2.044 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC001345393156 1150886666 /nfs/dbraw/zinc/88/66/66/1150886666.db2.gz RXSZRXQCWWNCBU-QWHCGFSZSA-N 1 0 321.421 2.245 20 10 DECDRO C[C@H]1COCCN1CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001459355490 1058151576 /nfs/dbraw/zinc/15/15/76/1058151576.db2.gz YWWMEUNSJYJKQT-INIZCTEOSA-N 1 0 317.477 2.438 20 10 DECDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001474010550 1060793973 /nfs/dbraw/zinc/79/39/73/1060793973.db2.gz RHLSXKHIISBYFK-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)ccc1OC ZINC001474043832 1060801693 /nfs/dbraw/zinc/80/16/93/1060801693.db2.gz VJSXPUZJFKPYDS-LRTDBIEQSA-N 1 0 313.463 2.478 20 10 DECDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001474297051 1060846349 /nfs/dbraw/zinc/84/63/49/1060846349.db2.gz MHYBWCWHEZJRSC-MRXNPFEDSA-N 1 0 320.412 2.065 20 10 DECDRO CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507052408 1062741609 /nfs/dbraw/zinc/74/16/09/1062741609.db2.gz PPKUNFAGMSRISO-LSDHHAIUSA-N 1 0 322.449 2.365 20 10 DECDRO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001480812907 1063377335 /nfs/dbraw/zinc/37/73/35/1063377335.db2.gz UVJZGZYTJPBBSM-LLVKDONJSA-N 1 0 317.393 2.357 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1Cl ZINC001621507032 1078176405 /nfs/dbraw/zinc/17/64/05/1078176405.db2.gz ZBZQQAHKHFWMMH-AWEZNQCLSA-N 1 0 314.788 2.389 20 10 DECDRO CC1CC[NH+](CCCCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001624754392 1078229680 /nfs/dbraw/zinc/22/96/80/1078229680.db2.gz YUFAHBWFEFRMBX-UHFFFAOYSA-N 1 0 320.433 2.269 20 10 DECDRO CC[C@@]1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC[NH2+]C1 ZINC001577195985 1066785111 /nfs/dbraw/zinc/78/51/11/1066785111.db2.gz OUNGQVPQDWJAAS-HNAYVOBHSA-N 1 0 317.477 2.498 20 10 DECDRO CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)OCO2 ZINC001578448536 1067105866 /nfs/dbraw/zinc/10/58/66/1067105866.db2.gz SYEYPNIUTAGMLH-CQSZACIVSA-N 1 0 304.390 2.010 20 10 DECDRO COC1CCN(c2ccc(CN3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC001578940383 1067206654 /nfs/dbraw/zinc/20/66/54/1067206654.db2.gz FCGYBAIEJGFTGP-OAHLLOKOSA-N 1 0 303.450 2.096 20 10 DECDRO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cocn2)cc1C ZINC001483456843 1078545241 /nfs/dbraw/zinc/54/52/41/1078545241.db2.gz IETMAZOURUFQFO-UHFFFAOYSA-N 1 0 317.389 2.244 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)CCCC1 ZINC001638347348 1078559151 /nfs/dbraw/zinc/55/91/51/1078559151.db2.gz GHCICQRLMYDZOF-GFCCVEGCSA-N 1 0 306.406 2.019 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC001642503824 1078757090 /nfs/dbraw/zinc/75/70/90/1078757090.db2.gz BNZPGPNTPVLGDF-JTQLQIEISA-N 1 0 320.349 2.165 20 10 DECDRO C[C@@H](NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1O ZINC001559025050 1075111038 /nfs/dbraw/zinc/11/10/38/1075111038.db2.gz GMDXFLBFTXPITI-KGLIPLIRSA-N 1 0 311.385 2.491 20 10 DECDRO CC(C)(O)[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001559634882 1075127253 /nfs/dbraw/zinc/12/72/53/1075127253.db2.gz CCMGBLXIUSLQDA-INIZCTEOSA-N 1 0 305.374 2.119 20 10 DECDRO CN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001560611007 1075142941 /nfs/dbraw/zinc/14/29/41/1075142941.db2.gz LSRRCXSJHJEFHY-SFHVURJKSA-N 1 0 317.477 2.222 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC001560649562 1075144667 /nfs/dbraw/zinc/14/46/67/1075144667.db2.gz MZKHMBDSIUSJKX-DLBZAZTESA-N 1 0 307.390 2.089 20 10 DECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC001560645901 1075144697 /nfs/dbraw/zinc/14/46/97/1075144697.db2.gz IRABYCJXSCUNNQ-OAHLLOKOSA-N 1 0 310.825 2.342 20 10 DECDRO COc1cc(C)c(C[NH2+]Cc2ccc(NC(C)=O)nc2)c(O)c1 ZINC001560792780 1075146016 /nfs/dbraw/zinc/14/60/16/1075146016.db2.gz USQPDURXPDKQQE-UHFFFAOYSA-N 1 0 315.373 2.352 20 10 DECDRO [NH3+][C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001580428945 1075920821 /nfs/dbraw/zinc/92/08/21/1075920821.db2.gz KYHLDZAYLPCPTL-HDJSIYSDSA-N 1 0 315.373 2.187 20 10 DECDRO [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001580888195 1076015671 /nfs/dbraw/zinc/01/56/71/1076015671.db2.gz HNRGKPXNMSSQHN-UHFFFAOYSA-N 1 0 314.788 2.139 20 10 DECDRO CC[N@H+](C)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001593872944 1077050188 /nfs/dbraw/zinc/05/01/88/1077050188.db2.gz HMJGBLDRVJSCCW-KRWDZBQOSA-N 1 0 314.385 2.407 20 10 DECDRO C[NH+](C)CCOc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC001598065871 1077106469 /nfs/dbraw/zinc/10/64/69/1077106469.db2.gz QXPOOBCSVUDTAE-UHFFFAOYSA-N 1 0 316.357 2.291 20 10 DECDRO CC(C)c1ccc(O)c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1 ZINC001652946895 1079905774 /nfs/dbraw/zinc/90/57/74/1079905774.db2.gz OUSDLLUBRWQTLA-QZTJIDSGSA-N 1 0 316.401 2.000 20 10 DECDRO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1O 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CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000751270188 639069875 /nfs/dbraw/zinc/06/98/75/639069875.db2.gz BOLKAYRRJBTLJF-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1C ZINC000897027921 639131394 /nfs/dbraw/zinc/13/13/94/639131394.db2.gz VASJKVRQPRRVQJ-HNNXBMFYSA-N 1 0 304.390 2.329 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCOC2CCOCC2)c1O ZINC000897195009 639239401 /nfs/dbraw/zinc/23/94/01/639239401.db2.gz GFBFLNCORZCOLL-UHFFFAOYSA-N 1 0 315.797 2.339 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000897261924 639294929 /nfs/dbraw/zinc/29/49/29/639294929.db2.gz ONWNGUBESKNQOJ-HNNXBMFYSA-N 1 0 321.417 2.297 20 10 DECDRO COc1cc(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)cc(OC)c1OC ZINC000754151454 639394621 /nfs/dbraw/zinc/39/46/21/639394621.db2.gz ZLDTVAKYOVYAOU-ZIAGYGMSSA-N 1 0 320.433 2.490 20 10 DECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000754773046 639472269 /nfs/dbraw/zinc/47/22/69/639472269.db2.gz 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650552012 /nfs/dbraw/zinc/55/20/12/650552012.db2.gz XSQJGJQPPMNTGE-HNNXBMFYSA-N 1 0 318.465 2.233 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000841719646 650551191 /nfs/dbraw/zinc/55/11/91/650551191.db2.gz MULAJJWUZAZZHT-GDBMZVCRSA-N 1 0 318.465 2.412 20 10 DECDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000841709458 650547145 /nfs/dbraw/zinc/54/71/45/650547145.db2.gz GPJOSFGYJQPNAA-MRXNPFEDSA-N 1 0 316.449 2.086 20 10 DECDRO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841743040 650555742 /nfs/dbraw/zinc/55/57/42/650555742.db2.gz BVJMCWGKKRIBOM-CYBMUJFWSA-N 1 0 311.857 2.334 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753842 650558037 /nfs/dbraw/zinc/55/80/37/650558037.db2.gz XEAANSMRDGDJDB-AAEUAGOBSA-N 1 0 317.813 2.110 20 10 DECDRO CC[N@H+](CCC1CC1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000760885449 640240064 /nfs/dbraw/zinc/24/00/64/640240064.db2.gz KPBSSWOFFQCAFN-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000987696593 640260035 /nfs/dbraw/zinc/26/00/35/640260035.db2.gz PVOKGUGQQXJIGP-AAEUAGOBSA-N 1 0 312.360 2.348 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841823873 650571060 /nfs/dbraw/zinc/57/10/60/650571060.db2.gz IVLTUCBIWZPCOB-BBRMVZONSA-N 1 0 318.465 2.187 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH2+]C)C2)cc1F ZINC000841798391 650566836 /nfs/dbraw/zinc/56/68/36/650566836.db2.gz HMUYAYDNXDSQJJ-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841828649 650573940 /nfs/dbraw/zinc/57/39/40/650573940.db2.gz XFYIMFITLNWFNX-HNNXBMFYSA-N 1 0 306.454 2.234 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000841831077 650574755 /nfs/dbraw/zinc/57/47/55/650574755.db2.gz ASDCWSXKAMDUTI-HZPDHXFCSA-N 1 0 314.433 2.132 20 10 DECDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000841831076 650574869 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CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841929646 650605034 /nfs/dbraw/zinc/60/50/34/650605034.db2.gz ZBYUQGGAZSNAJA-INIZCTEOSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000841930127 650605153 /nfs/dbraw/zinc/60/51/53/650605153.db2.gz ZITSWRKDBSHYLX-ZBFHGGJFSA-N 1 0 318.465 2.282 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841940196 650607004 /nfs/dbraw/zinc/60/70/04/650607004.db2.gz ZFJZRHGYTGQTSQ-HNNXBMFYSA-N 1 0 304.438 2.035 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CCC([NH3+])CC2)c1 ZINC000841944734 650608004 /nfs/dbraw/zinc/60/80/04/650608004.db2.gz DDMIWAACAXJITF-UNXYVOJBSA-N 1 0 307.394 2.031 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NCC(C)(C)[NH3+])C2CC2)cc1 ZINC000841950254 650609616 /nfs/dbraw/zinc/60/96/16/650609616.db2.gz KVAYLHLJZUKGFX-UHFFFAOYSA-N 1 0 304.438 2.164 20 10 DECDRO CCC(CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978727 640835577 /nfs/dbraw/zinc/83/55/77/640835577.db2.gz HBXYTEKMVALTIL-UHFFFAOYSA-N 1 0 310.463 2.200 20 10 DECDRO Nc1ccc(CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000841956522 650611839 /nfs/dbraw/zinc/61/18/39/650611839.db2.gz GMANKJNEYXILQC-KRWDZBQOSA-N 1 0 316.449 2.081 20 10 DECDRO Nc1ccc(CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000841955893 650612129 /nfs/dbraw/zinc/61/21/29/650612129.db2.gz QSNFHEQRLXCDKL-QGZVFWFLSA-N 1 0 316.449 2.081 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841987391 650620124 /nfs/dbraw/zinc/62/01/24/650620124.db2.gz MWSHLEYFCWENHR-HIFRSBDPSA-N 1 0 304.438 2.035 20 10 DECDRO COc1cccc(O)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000767188551 640953407 /nfs/dbraw/zinc/95/34/07/640953407.db2.gz KHJXCUUXTORNFM-UHFFFAOYSA-N 1 0 305.403 2.035 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(C)c1O ZINC000897986050 640995914 /nfs/dbraw/zinc/99/59/14/640995914.db2.gz VHZDKXVRFLVZJE-CYBMUJFWSA-N 1 0 315.373 2.308 20 10 DECDRO CC(C)COC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768442139 641082152 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CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000769208571 641195280 /nfs/dbraw/zinc/19/52/80/641195280.db2.gz ZZNZUBPSZYDPET-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO CCC1(O)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769482733 641248050 /nfs/dbraw/zinc/24/80/50/641248050.db2.gz DTWBTMXYJYPRBY-UHFFFAOYSA-N 1 0 322.424 2.399 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000770349510 641358558 /nfs/dbraw/zinc/35/85/58/641358558.db2.gz MYYWDMOGUQQVNZ-GFCCVEGCSA-N 1 0 302.378 2.207 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000770349511 641358632 /nfs/dbraw/zinc/35/86/32/641358632.db2.gz MYYWDMOGUQQVNZ-LBPRGKRZSA-N 1 0 302.378 2.207 20 10 DECDRO CCOc1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c(O)c1 ZINC000770379096 641362392 /nfs/dbraw/zinc/36/23/92/641362392.db2.gz IOBVELVTDZTQBN-CQSZACIVSA-N 1 0 306.406 2.091 20 10 DECDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2O)CC1 ZINC000770510000 641378559 /nfs/dbraw/zinc/37/85/59/641378559.db2.gz GHVRGNFMMAXCPC-UHFFFAOYSA-N 1 0 310.397 2.411 20 10 DECDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCOC1 ZINC000771895531 641568014 /nfs/dbraw/zinc/56/80/14/641568014.db2.gz GVLDYWZACAEEFC-QGZVFWFLSA-N 1 0 308.397 2.321 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)CC2 ZINC000927103800 641628772 /nfs/dbraw/zinc/62/87/72/641628772.db2.gz SQLDHDMKQIMSJY-HZPDHXFCSA-N 1 0 302.418 2.222 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000898449424 641661031 /nfs/dbraw/zinc/66/10/31/641661031.db2.gz FCHPFOWTUAMGDM-YXJHDRRASA-N 1 0 305.466 2.370 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1F ZINC000898467943 641671188 /nfs/dbraw/zinc/67/11/88/641671188.db2.gz TVSHTNMOJAPDJA-DOTOQJQBSA-N 1 0 305.397 2.183 20 10 DECDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ncn1 ZINC000773108390 641730557 /nfs/dbraw/zinc/73/05/57/641730557.db2.gz XJKYUTURILDPEK-OAHLLOKOSA-N 1 0 312.417 2.472 20 10 DECDRO C[C@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+](C)C ZINC000898668400 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2.290 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nccn1C ZINC000775378461 642036646 /nfs/dbraw/zinc/03/66/46/642036646.db2.gz JVDVIWYNTJIRED-QGZVFWFLSA-N 1 0 314.433 2.498 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000775833456 642103305 /nfs/dbraw/zinc/10/33/05/642103305.db2.gz JJJHNJMSVUPKGV-CQSZACIVSA-N 1 0 312.417 2.115 20 10 DECDRO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776135461 642134305 /nfs/dbraw/zinc/13/43/05/642134305.db2.gz LULGSNHIQOWEIS-AWEZNQCLSA-N 1 0 318.465 2.455 20 10 DECDRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000778234355 642357907 /nfs/dbraw/zinc/35/79/07/642357907.db2.gz KAUFVQDWYLYHPJ-MFKMUULPSA-N 1 0 321.373 2.287 20 10 DECDRO CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000779489467 642505175 /nfs/dbraw/zinc/50/51/75/642505175.db2.gz PGUZUENJVVQNBA-CLFYSBASSA-N 1 0 318.417 2.492 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779519565 642507806 /nfs/dbraw/zinc/50/78/06/642507806.db2.gz PFVHRCVEKYEBIB-OWNNVSBGSA-N 1 0 304.390 2.102 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902064589 642907096 /nfs/dbraw/zinc/90/70/96/642907096.db2.gz JGKLLRYAIOAUNQ-RDJZCZTQSA-N 1 0 301.434 2.399 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(CN3CCNC3=O)CC2)c1 ZINC000902585859 643078756 /nfs/dbraw/zinc/07/87/56/643078756.db2.gz SKJKXKSWYYAKKR-UHFFFAOYSA-N 1 0 317.433 2.246 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c1O ZINC000902605662 643083354 /nfs/dbraw/zinc/08/33/54/643083354.db2.gz FGFLUDHHUMARRF-CVEARBPZSA-N 1 0 321.417 2.479 20 10 DECDRO OCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000842764724 650820105 /nfs/dbraw/zinc/82/01/05/650820105.db2.gz USSBRYRYNOSBOV-CQSZACIVSA-N 1 0 319.332 2.473 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903303245 643311146 /nfs/dbraw/zinc/31/11/46/643311146.db2.gz NKPAMBXRMBUZRM-ZQIUZPCESA-N 1 0 321.440 2.406 20 10 DECDRO CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1O ZINC000903372159 643330597 /nfs/dbraw/zinc/33/05/97/643330597.db2.gz IPRGCNZUKKLLRH-OAHLLOKOSA-N 1 0 321.417 2.481 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000903396004 643332447 /nfs/dbraw/zinc/33/24/47/643332447.db2.gz KYENFOKYNZJBFG-OLZOCXBDSA-N 1 0 314.389 2.126 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000903390860 643339133 /nfs/dbraw/zinc/33/91/33/643339133.db2.gz UUERQULITCVMFM-DOMZBBRYSA-N 1 0 307.390 2.390 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC000787422090 643493574 /nfs/dbraw/zinc/49/35/74/643493574.db2.gz ZHLHVPXCTNIAON-JOYOIKCWSA-N 1 0 313.781 2.438 20 10 DECDRO CN(C)c1ccc(CN2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000903941697 643523196 /nfs/dbraw/zinc/52/31/96/643523196.db2.gz DISKIZIVIWOSIS-UHFFFAOYSA-N 1 0 320.437 2.365 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F ZINC000903981821 643535466 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COC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000905713286 644011656 /nfs/dbraw/zinc/01/16/56/644011656.db2.gz XJZGGGKNZQWODP-VXGBXAGGSA-N 1 0 323.389 2.040 20 10 DECDRO COc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)c(O)c1 ZINC000792892354 644165337 /nfs/dbraw/zinc/16/53/37/644165337.db2.gz APGZZVPMUDEYCD-ZDUSSCGKSA-N 1 0 321.421 2.074 20 10 DECDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@](C)(F)C2)c1O ZINC000843124586 650900973 /nfs/dbraw/zinc/90/09/73/650900973.db2.gz CRHVFSQJMCNPLR-AWEZNQCLSA-N 1 0 302.777 2.188 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000793281570 644224291 /nfs/dbraw/zinc/22/42/91/644224291.db2.gz SOUIZAWJTCURBR-UHFFFAOYSA-N 1 0 303.811 2.103 20 10 DECDRO COc1c(O)c(CN[C@H]2CC[NH2+]C23CCCC3)ccc1[N+](=O)[O-] ZINC000843127897 650902217 /nfs/dbraw/zinc/90/22/17/650902217.db2.gz JHRKGGGWCUTKKT-ZDUSSCGKSA-N 1 0 321.377 2.073 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129722 650902990 /nfs/dbraw/zinc/90/29/90/650902990.db2.gz YSNDZOVFYJJLKG-GOSISDBHSA-N 1 0 315.461 2.288 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000794830317 644481709 /nfs/dbraw/zinc/48/17/09/644481709.db2.gz WQBKWPHSQVBPIE-ONGXEEELSA-N 1 0 313.394 2.246 20 10 DECDRO CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000795720779 644624986 /nfs/dbraw/zinc/62/49/86/644624986.db2.gz OTTAZSLQANMJPS-MNQCNDSGSA-N 1 0 319.401 2.209 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000843298790 650944515 /nfs/dbraw/zinc/94/45/15/650944515.db2.gz PUMWBTXMCRQRME-MRXNPFEDSA-N 1 0 300.406 2.127 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1(S(C)(=O)=O)CC1 ZINC000796488667 644744715 /nfs/dbraw/zinc/74/47/15/644744715.db2.gz FNQGYBIJPHXHHF-SECBINFHSA-N 1 0 303.811 2.101 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000797072727 644834147 /nfs/dbraw/zinc/83/41/47/644834147.db2.gz ZFWIODDDJVZXAJ-QWRGUYRKSA-N 1 0 313.419 2.017 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000797071372 644834231 /nfs/dbraw/zinc/83/42/31/644834231.db2.gz RWKPXWRTJGPOKN-ZJUUUORDSA-N 1 0 301.383 2.148 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(O)cc1 ZINC000843349661 650955051 /nfs/dbraw/zinc/95/50/51/650955051.db2.gz HWECVTBFVVEULJ-UHFFFAOYSA-N 1 0 311.385 2.242 20 10 DECDRO CC1=C[C@@H](C)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000797525558 644891818 /nfs/dbraw/zinc/89/18/18/644891818.db2.gz BAOFUFUAUOORGW-CQSZACIVSA-N 1 0 301.434 2.267 20 10 DECDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCN(C)C1 ZINC000843421719 650971207 /nfs/dbraw/zinc/97/12/07/650971207.db2.gz GPAOEZNZNGKXNF-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000843487701 650983559 /nfs/dbraw/zinc/98/35/59/650983559.db2.gz KWCWYPCGOKIFGN-IRXDYDNUSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)[NH+]1CCCCC1 ZINC000910952804 645593227 /nfs/dbraw/zinc/59/32/27/645593227.db2.gz ZTKIKMOVKPSBRH-MRXNPFEDSA-N 1 0 306.406 2.225 20 10 DECDRO Cc1cc(=O)[nH]c(C=Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000806574296 645847623 /nfs/dbraw/zinc/84/76/23/645847623.db2.gz KKACSQQFVQPAQT-YVMONPNESA-N 1 0 310.401 2.413 20 10 DECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(OC)c(C)cc3O)[C@H]2C1 ZINC000840084206 645916712 /nfs/dbraw/zinc/91/67/12/645916712.db2.gz QZZYEFUMMGMLJX-DOTOQJQBSA-N 1 0 320.433 2.004 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000840183718 646266069 /nfs/dbraw/zinc/26/60/69/646266069.db2.gz GWTPLGDDJMRHGP-QGZVFWFLSA-N 1 0 323.389 2.185 20 10 DECDRO CCOc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c(O)c1 ZINC000809737853 646272177 /nfs/dbraw/zinc/27/21/77/646272177.db2.gz NAAZGPCZXNKQFU-KRWDZBQOSA-N 1 0 322.449 2.334 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(C)c3O)[C@H]2C1 ZINC000809788284 646283998 /nfs/dbraw/zinc/28/39/98/646283998.db2.gz PJWNMZYXQZXXAA-YESZJQIVSA-N 1 0 302.418 2.437 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000809794464 646285197 /nfs/dbraw/zinc/28/51/97/646285197.db2.gz YPLJTYDTCULVGG-UHFFFAOYSA-N 1 0 312.348 2.461 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000164219322 646424567 /nfs/dbraw/zinc/42/45/67/646424567.db2.gz NOTKZWUKVCUKBD-AWEZNQCLSA-N 1 0 306.406 2.057 20 10 DECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1[C@H]1CCCO1 ZINC000811778983 646575792 /nfs/dbraw/zinc/57/57/92/646575792.db2.gz OPYGWAYTEMLITH-UXLLHSPISA-N 1 0 319.401 2.207 20 10 DECDRO COc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)c1O ZINC000173862115 646781585 /nfs/dbraw/zinc/78/15/85/646781585.db2.gz XQKYNCGMPBKWBV-CYBMUJFWSA-N 1 0 321.421 2.074 20 10 DECDRO Cc1cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)ccc1N(C)C ZINC000815077902 646963936 /nfs/dbraw/zinc/96/39/36/646963936.db2.gz IDWGYAIAADYZSG-OAHLLOKOSA-N 1 0 303.406 2.088 20 10 DECDRO COc1c([O-])c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865064 647368697 /nfs/dbraw/zinc/36/86/97/647368697.db2.gz NWEWEIXIIKHAIE-GVXVVHGQSA-N 1 0 323.393 2.114 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)ccc21 ZINC000818985425 647557888 /nfs/dbraw/zinc/55/78/88/647557888.db2.gz TXNBAOFAHLCXBO-CQSZACIVSA-N 1 0 302.340 2.472 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CSC)cc1F ZINC000819041049 647570235 /nfs/dbraw/zinc/57/02/35/647570235.db2.gz DHJNKEPCJXGZSE-ZDUSSCGKSA-N 1 0 300.443 2.485 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000820259136 647813724 /nfs/dbraw/zinc/81/37/24/647813724.db2.gz VHCHETVDXULFDC-ZDUSSCGKSA-N 1 0 303.366 2.015 20 10 DECDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000920277887 648215830 /nfs/dbraw/zinc/21/58/30/648215830.db2.gz PAJGUESSOJOTCE-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000824653735 648630425 /nfs/dbraw/zinc/63/04/25/648630425.db2.gz GTHGXKUYBXDCAB-IIDMSEBBSA-N 1 0 322.424 2.254 20 10 DECDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1O ZINC000825068458 648697164 /nfs/dbraw/zinc/69/71/64/648697164.db2.gz PFEBXDZFJJOYCJ-ZDUSSCGKSA-N 1 0 312.360 2.436 20 10 DECDRO CCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)COC1 ZINC000825073490 648697930 /nfs/dbraw/zinc/69/79/30/648697930.db2.gz UTMCRZNDWVRKFL-UHFFFAOYSA-N 1 0 308.397 2.179 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000825125407 648707286 /nfs/dbraw/zinc/70/72/86/648707286.db2.gz JTRWWWSZOUTZTA-MAUKXSAKSA-N 1 0 320.408 2.319 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825266860 648733310 /nfs/dbraw/zinc/73/33/10/648733310.db2.gz NMKPWUGGWOSHLK-JTQLQIEISA-N 1 0 305.827 2.267 20 10 DECDRO C[N@H+](Cc1ccc(Br)cc1O)CC1(CO)CC1 ZINC000825628823 648790664 /nfs/dbraw/zinc/79/06/64/648790664.db2.gz KHNGLDHZDDJEJF-UHFFFAOYSA-N 1 0 300.196 2.359 20 10 DECDRO Cc1cc(O)c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000825745282 648808412 /nfs/dbraw/zinc/80/84/12/648808412.db2.gz WZAOVMVGMNPIDH-CHWSQXEVSA-N 1 0 312.841 2.241 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1Cl ZINC000825886144 648822830 /nfs/dbraw/zinc/82/28/30/648822830.db2.gz MTXFUXDCGGMIEK-JTQLQIEISA-N 1 0 317.838 2.409 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1Cl ZINC000827132113 648978860 /nfs/dbraw/zinc/97/88/60/648978860.db2.gz KOUBPSGJGJVWHA-RISCZKNCSA-N 1 0 308.809 2.455 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827680047 649066780 /nfs/dbraw/zinc/06/67/80/649066780.db2.gz MCMVJYMGNJCBCQ-CQSZACIVSA-N 1 0 306.406 2.137 20 10 DECDRO Cc1cc(O)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000827699052 649071331 /nfs/dbraw/zinc/07/13/31/649071331.db2.gz DJVJYNHSSQLDNS-QGZVFWFLSA-N 1 0 304.434 2.040 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725231 649075478 /nfs/dbraw/zinc/07/54/78/649075478.db2.gz CLDPKZVOGOWDFI-KSSFIOAISA-N 1 0 319.449 2.218 20 10 DECDRO CCc1cccc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC000827733536 649077059 /nfs/dbraw/zinc/07/70/59/649077059.db2.gz HNAIVZNPNZSGTB-UHFFFAOYSA-N 1 0 304.390 2.371 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C)cc2)CC1 ZINC000828538095 649192378 /nfs/dbraw/zinc/19/23/78/649192378.db2.gz GINPYJPCSIYMKY-RHSMWYFYSA-N 1 0 304.434 2.257 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000828667799 649208018 /nfs/dbraw/zinc/20/80/18/649208018.db2.gz UXEFOXVSGRRGGF-FABXCBLPSA-N 1 0 306.406 2.486 20 10 DECDRO O=C(C[C@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829004022 649258054 /nfs/dbraw/zinc/25/80/54/649258054.db2.gz XYWNYANSXQUZBD-CVEARBPZSA-N 1 0 318.417 2.042 20 10 DECDRO [NH3+]CCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003891 649258358 /nfs/dbraw/zinc/25/83/58/649258358.db2.gz TZCCWNGMILPRCS-HNNXBMFYSA-N 1 0 306.406 2.029 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1F ZINC000829038979 649263817 /nfs/dbraw/zinc/26/38/17/649263817.db2.gz RNVAVBLAHSJYRY-OCCSQVGLSA-N 1 0 307.413 2.286 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C)CC=CC3)cc2)CC1 ZINC000829296630 649291543 /nfs/dbraw/zinc/29/15/43/649291543.db2.gz LDHRNZJVQIALQL-UHFFFAOYSA-N 1 0 313.445 2.411 20 10 DECDRO C[NH+](C)C[C@H]1CN(C(=O)C2=CC(=O)CS2)c2ccccc2O1 ZINC000830174514 649404333 /nfs/dbraw/zinc/40/43/33/649404333.db2.gz NCRMHGWHDLTBQK-LBPRGKRZSA-N 1 0 318.398 2.423 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCSCC2)cc1 ZINC000832272608 649691544 /nfs/dbraw/zinc/69/15/44/649691544.db2.gz HOYMOCCYLXPZPT-OAHLLOKOSA-N 1 0 307.463 2.012 20 10 DECDRO COc1ccc(N2CCN(C(=O)CCC(C)(C)[NH3+])CC2)cc1F ZINC000844191077 651089476 /nfs/dbraw/zinc/08/94/76/651089476.db2.gz QKBLOBXWPVDTAF-UHFFFAOYSA-N 1 0 323.412 2.000 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2c1 ZINC000844744079 651163854 /nfs/dbraw/zinc/16/38/54/651163854.db2.gz DZBGXNWIBLGYCT-AHASJALOSA-N 1 0 317.410 2.259 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844751844 651164935 /nfs/dbraw/zinc/16/49/35/651164935.db2.gz WBQYRYQFIXRGNO-UKRRQHHQSA-N 1 0 311.328 2.439 20 10 DECDRO COc1cccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1O ZINC000846010440 651301233 /nfs/dbraw/zinc/30/12/33/651301233.db2.gz HGQKHOCXEKOQPK-LJQANCHMSA-N 1 0 313.397 2.367 20 10 DECDRO CCON(C)C(=O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000846063152 651305752 /nfs/dbraw/zinc/30/57/52/651305752.db2.gz SVWXSNKMLUDCQF-UHFFFAOYSA-N 1 0 311.401 2.171 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCCNc2ncccn2)c1O ZINC000846151483 651311177 /nfs/dbraw/zinc/31/11/77/651311177.db2.gz ZBJZTAAFJWLFFS-LBPRGKRZSA-N 1 0 302.378 2.344 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)c1O ZINC000846153121 651311359 /nfs/dbraw/zinc/31/13/59/651311359.db2.gz FFAZRCUHKSREOA-LBPRGKRZSA-N 1 0 306.406 2.358 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000846174715 651313254 /nfs/dbraw/zinc/31/32/54/651313254.db2.gz YOWHAZGIUXADDN-TZMCWYRMSA-N 1 0 302.374 2.223 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000846206247 651314965 /nfs/dbraw/zinc/31/49/65/651314965.db2.gz OMQLMRUBXSGASG-KGLIPLIRSA-N 1 0 301.434 2.414 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2CCSCC2)cc1 ZINC000846663951 651343894 /nfs/dbraw/zinc/34/38/94/651343894.db2.gz SRXORUZKYBMAQO-INIZCTEOSA-N 1 0 321.490 2.402 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1 ZINC000846664218 651343905 /nfs/dbraw/zinc/34/39/05/651343905.db2.gz XILPXEPYFVVSEH-MRXNPFEDSA-N 1 0 313.401 2.196 20 10 DECDRO CSCC1(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000846664347 651343962 /nfs/dbraw/zinc/34/39/62/651343962.db2.gz YFJQAZODWQQOLV-HNNXBMFYSA-N 1 0 321.490 2.402 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)ccc21 ZINC000846672722 651344769 /nfs/dbraw/zinc/34/47/69/651344769.db2.gz JNVLBLNSAWCSCX-IAGOWNOFSA-N 1 0 313.445 2.216 20 10 DECDRO CCC[N@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C(C)C ZINC000847027056 651370146 /nfs/dbraw/zinc/37/01/46/651370146.db2.gz MLJZZAPNIRALEK-UHFFFAOYSA-N 1 0 320.393 2.232 20 10 DECDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000107329927 651434789 /nfs/dbraw/zinc/43/47/89/651434789.db2.gz OJODNTOJSZLPEP-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000848558072 651470501 /nfs/dbraw/zinc/47/05/01/651470501.db2.gz JOZAHFJXEZQQGY-NOZJJQNGSA-N 1 0 318.211 2.203 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000848562510 651471082 /nfs/dbraw/zinc/47/10/82/651471082.db2.gz DXWSARZRZZZDDK-DZGCQCFKSA-N 1 0 313.449 2.479 20 10 DECDRO CCc1cccc(C[N@H+](CCO)CCOCC(F)(F)F)c1O ZINC000848884080 651543739 /nfs/dbraw/zinc/54/37/39/651543739.db2.gz IPWLISXIDQZNGK-UHFFFAOYSA-N 1 0 321.339 2.328 20 10 DECDRO CCc1cccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1O ZINC000848903496 651553872 /nfs/dbraw/zinc/55/38/72/651553872.db2.gz ULNXEAZBNBIGRC-UHFFFAOYSA-N 1 0 312.417 2.375 20 10 DECDRO CCc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1O ZINC000848910662 651556254 /nfs/dbraw/zinc/55/62/54/651556254.db2.gz MCAPQLMYMZTXHL-UHFFFAOYSA-N 1 0 311.447 2.402 20 10 DECDRO COCC[N@@H+](Cc1cc(C)ccc1O)C[C@H](O)C(F)(F)F ZINC000848922691 651563120 /nfs/dbraw/zinc/56/31/20/651563120.db2.gz YARHAYXRVDAMHP-ZDUSSCGKSA-N 1 0 307.312 2.072 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC000855232761 651652800 /nfs/dbraw/zinc/65/28/00/651652800.db2.gz XLSHGDVARTXROL-HNNXBMFYSA-N 1 0 319.449 2.122 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108588340 651665885 /nfs/dbraw/zinc/66/58/85/651665885.db2.gz DXTFGUUDMZAWLU-STQMWFEESA-N 1 0 321.421 2.103 20 10 DECDRO COc1cc(C[NH2+]CC(=O)NC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850012182 651802489 /nfs/dbraw/zinc/80/24/89/651802489.db2.gz GJHAJOJHPZWDQD-UHFFFAOYSA-N 1 0 308.422 2.313 20 10 DECDRO COc1cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c(C(C)(C)C)c1 ZINC000850318985 651897762 /nfs/dbraw/zinc/89/77/62/651897762.db2.gz CGZZWGBTZQDAFZ-SFHVURJKSA-N 1 0 320.433 2.457 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(C)n3C)C2)cc1 ZINC000850329856 651900278 /nfs/dbraw/zinc/90/02/78/651900278.db2.gz FBDCYVHSTGHQNU-OAHLLOKOSA-N 1 0 314.433 2.353 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)cc1 ZINC000850347289 651904974 /nfs/dbraw/zinc/90/49/74/651904974.db2.gz PQFGTOKUHCLPPF-CQSZACIVSA-N 1 0 300.406 2.106 20 10 DECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850353448 651909317 /nfs/dbraw/zinc/90/93/17/651909317.db2.gz DAFSSIBPNFXHRY-USXIJHARSA-N 1 0 305.418 2.277 20 10 DECDRO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC000850397425 651920595 /nfs/dbraw/zinc/92/05/95/651920595.db2.gz XNZBPCUMFDYBAL-INIZCTEOSA-N 1 0 320.433 2.134 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406323 651923064 /nfs/dbraw/zinc/92/30/64/651923064.db2.gz BJGCESWCINMLDT-GDBMZVCRSA-N 1 0 304.434 2.305 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CC2 ZINC000850554761 651952518 /nfs/dbraw/zinc/95/25/18/651952518.db2.gz FQLJXMDBOKHDAZ-HZPDHXFCSA-N 1 0 302.418 2.222 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000850565125 651953714 /nfs/dbraw/zinc/95/37/14/651953714.db2.gz AQMRAQSUERDZFQ-SFHVURJKSA-N 1 0 306.450 2.408 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCOCC3)cc2)CC1 ZINC000850568326 651953907 /nfs/dbraw/zinc/95/39/07/651953907.db2.gz VLMKEBIRJPFXGF-INIZCTEOSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000857061273 652043576 /nfs/dbraw/zinc/04/35/76/652043576.db2.gz NKBIFRMFZOJOMA-MRXNPFEDSA-N 1 0 317.410 2.460 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(F)ccc(O)c1O ZINC000857322977 652105376 /nfs/dbraw/zinc/10/53/76/652105376.db2.gz WDBCCSPMTYLRKA-LLVKDONJSA-N 1 0 322.380 2.374 20 10 DECDRO CN(CCC[NH2+]Cc1c([O-])ccc(Cl)c1F)CC[NH+](C)C ZINC000857784337 652176547 /nfs/dbraw/zinc/17/65/47/652176547.db2.gz WZUAWNKPUOYJBH-UHFFFAOYSA-N 1 0 317.836 2.158 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851657337 652199858 /nfs/dbraw/zinc/19/98/58/652199858.db2.gz XSTDPIUPZMTMKA-CQSZACIVSA-N 1 0 310.417 2.064 20 10 DECDRO CN1CCCc2cc(CNC(=O)NCC3([NH3+])CCCC3)ccc21 ZINC000851656161 652200290 /nfs/dbraw/zinc/20/02/90/652200290.db2.gz HPGIQIRTSSJJCY-UHFFFAOYSA-N 1 0 316.449 2.140 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000851656951 652200302 /nfs/dbraw/zinc/20/03/02/652200302.db2.gz UHFDQLVVYMDEAP-OAHLLOKOSA-N 1 0 318.465 2.330 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)C(C)(C)C)cc1F ZINC000858126568 652260833 /nfs/dbraw/zinc/26/08/33/652260833.db2.gz BRWVSPBFRQLMFI-UHFFFAOYSA-N 1 0 313.392 2.283 20 10 DECDRO CSC[C@@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858144001 652264732 /nfs/dbraw/zinc/26/47/32/652264732.db2.gz DJSLEJJYRDBMEH-LLVKDONJSA-N 1 0 304.406 2.234 20 10 DECDRO CO[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCOC1 ZINC000858186968 652274430 /nfs/dbraw/zinc/27/44/30/652274430.db2.gz GPCSUGODIZJDLF-MEDUHNTESA-N 1 0 314.376 2.172 20 10 DECDRO COc1cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000858226322 652283828 /nfs/dbraw/zinc/28/38/28/652283828.db2.gz MKUKTDBHBIUEFI-JKSUJKDBSA-N 1 0 323.433 2.328 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2COC(C)(C)O2)cc1 ZINC000852212177 652364311 /nfs/dbraw/zinc/36/43/11/652364311.db2.gz VXBKBZLHWLXSNU-MRXNPFEDSA-N 1 0 308.422 2.215 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000852466953 652405465 /nfs/dbraw/zinc/40/54/65/652405465.db2.gz YQQUJSFPGBAGAP-OAHLLOKOSA-N 1 0 318.465 2.425 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852494594 652409928 /nfs/dbraw/zinc/40/99/28/652409928.db2.gz HMGKLXAWVIOPJX-RDJZCZTQSA-N 1 0 301.434 2.243 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1N(C)C ZINC000852498082 652410741 /nfs/dbraw/zinc/41/07/41/652410741.db2.gz YVTKQOHASRAZQF-JKSUJKDBSA-N 1 0 301.434 2.162 20 10 DECDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1C[NH2+]CCO1 ZINC000852751878 652449681 /nfs/dbraw/zinc/44/96/81/652449681.db2.gz JHTRKKONRQNTBY-RDJZCZTQSA-N 1 0 304.434 2.318 20 10 DECDRO O=C1CCC2=C(CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)N1 ZINC000853519092 652561154 /nfs/dbraw/zinc/56/11/54/652561154.db2.gz BVJXQPQYMPQGBX-UHFFFAOYSA-N 1 0 309.369 2.310 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000853602113 652577236 /nfs/dbraw/zinc/57/72/36/652577236.db2.gz OAORKUYGKGDOQS-CQSZACIVSA-N 1 0 320.433 2.446 20 10 DECDRO C[C@H](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+](C)C ZINC000853776117 652602598 /nfs/dbraw/zinc/60/25/98/652602598.db2.gz MKFWOXMDSJTUHY-OAHLLOKOSA-N 1 0 316.449 2.202 20 10 DECDRO COC(=O)CC[N@@H+](Cc1cc(C)ccc1O)C[C@@H]1CCCO1 ZINC000093460794 684049782 /nfs/dbraw/zinc/04/97/82/684049782.db2.gz RABCDSLFJHXMCB-HNNXBMFYSA-N 1 0 307.390 2.245 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000129857711 684182852 /nfs/dbraw/zinc/18/28/52/684182852.db2.gz XHIPBSPNKUGFKJ-INIZCTEOSA-N 1 0 310.463 2.152 20 10 DECDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000130976032 684194786 /nfs/dbraw/zinc/19/47/86/684194786.db2.gz AAQNXZLLFORWPR-VVVCHXIZSA-N 1 0 320.252 2.354 20 10 DECDRO CC1CCC([NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000193073381 684464892 /nfs/dbraw/zinc/46/48/92/684464892.db2.gz WKLAEAAZFGWWGR-UHFFFAOYSA-N 1 0 318.417 2.434 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000246084828 685122675 /nfs/dbraw/zinc/12/26/75/685122675.db2.gz CELWHRVOXYKBHQ-HIFRSBDPSA-N 1 0 309.431 2.416 20 10 DECDRO C[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[NH2+]1 ZINC000861686297 686169535 /nfs/dbraw/zinc/16/95/35/686169535.db2.gz NKNYHUBCNDMBOC-GXTWGEPZSA-N 1 0 317.433 2.211 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H]1OC ZINC000862325604 686276440 /nfs/dbraw/zinc/27/64/40/686276440.db2.gz CNWREWIKKSNWCW-BMFZPTHFSA-N 1 0 314.376 2.313 20 10 DECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1O ZINC000862332184 686277774 /nfs/dbraw/zinc/27/77/74/686277774.db2.gz GFIXLNKXONCKIR-SKDRFNHKSA-N 1 0 300.196 2.357 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC000862337955 686278779 /nfs/dbraw/zinc/27/87/79/686278779.db2.gz DQBHZXWLQCPPJF-JQWIXIFHSA-N 1 0 312.360 2.414 20 10 DECDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863652040 686540707 /nfs/dbraw/zinc/54/07/07/686540707.db2.gz PLLRZXSTCGUIQC-DZGCQCFKSA-N 1 0 318.421 2.425 20 10 DECDRO CN1CCCc2cc(CNC(=O)C[N@H+](C)C3CCC3)ccc21 ZINC000863862285 686588149 /nfs/dbraw/zinc/58/81/49/686588149.db2.gz NHPKMSDTDKRTFJ-UHFFFAOYSA-N 1 0 301.434 2.170 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])NCCC3CC3)C2)cc1 ZINC000864468587 686731114 /nfs/dbraw/zinc/73/11/14/686731114.db2.gz GSGPNJJZNPNZAR-HNNXBMFYSA-N 1 0 316.449 2.436 20 10 DECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865663327 687294475 /nfs/dbraw/zinc/29/44/75/687294475.db2.gz PFKCZJNJPBCDCX-HNNXBMFYSA-N 1 0 310.413 2.303 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCOCC(=O)OC(C)(C)C)cc1 ZINC000865683955 687300763 /nfs/dbraw/zinc/30/07/63/687300763.db2.gz JIVGFFQRJWUPBE-UHFFFAOYSA-N 1 0 308.422 2.201 20 10 DECDRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000865767502 687328118 /nfs/dbraw/zinc/32/81/18/687328118.db2.gz UAAKCHMJQIPBNI-KOMQPUFPSA-N 1 0 317.410 2.487 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)on1 ZINC000866515979 687597199 /nfs/dbraw/zinc/59/71/99/687597199.db2.gz PFYVCXLLTCMCDM-GFCCVEGCSA-N 1 0 302.330 2.334 20 10 DECDRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1O ZINC000868356039 687988493 /nfs/dbraw/zinc/98/84/93/687988493.db2.gz RNKFMHGPFDIIRK-BLLLJJGKSA-N 1 0 323.462 2.190 20 10 DECDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000870894098 688679927 /nfs/dbraw/zinc/67/99/27/688679927.db2.gz HQKUVSXSIPRTIN-HDJSIYSDSA-N 1 0 302.418 2.405 20 10 DECDRO C[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccccc1O ZINC000870987685 688704704 /nfs/dbraw/zinc/70/47/04/688704704.db2.gz AGBMXIPMMSFPIF-NSHDSACASA-N 1 0 315.373 2.338 20 10 DECDRO C[NH+](C)C1(C)CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000871359895 688780208 /nfs/dbraw/zinc/78/02/08/688780208.db2.gz YXGVAPLIBJMRHX-ALCCZGGFSA-N 1 0 318.417 2.490 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000871763492 688862633 /nfs/dbraw/zinc/86/26/33/688862633.db2.gz JAZKESOMELSURJ-IRXDYDNUSA-N 1 0 316.449 2.131 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872210120 688953546 /nfs/dbraw/zinc/95/35/46/688953546.db2.gz LOCHQVREUQPRBW-WMLDXEAASA-N 1 0 308.466 2.104 20 10 DECDRO CCC[C@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051341 689148449 /nfs/dbraw/zinc/14/84/49/689148449.db2.gz IQVJKWSCFLSTTB-INIZCTEOSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+]CCOC(C)C)cc1Cn1cccn1 ZINC000873105002 689159135 /nfs/dbraw/zinc/15/91/35/689159135.db2.gz RWOOZGXUTNJGHM-UHFFFAOYSA-N 1 0 303.406 2.455 20 10 DECDRO COc1ccc(C[NH2+]CC2(CCO)CC2)cc1Cn1cccn1 ZINC000873110063 689159835 /nfs/dbraw/zinc/15/98/35/689159835.db2.gz IWJKFFQQFGIEJU-UHFFFAOYSA-N 1 0 315.417 2.192 20 10 DECDRO COc1ccc(C[NH2+]CCC2(O)CCC2)cc1Cn1cccn1 ZINC000873125527 689164511 /nfs/dbraw/zinc/16/45/11/689164511.db2.gz ZUTKZOLWKPLANH-UHFFFAOYSA-N 1 0 315.417 2.335 20 10 DECDRO COc1ccc(CN[C@H]2CCn3ccnc32)cc1Cn1cccn1 ZINC000873129767 689165270 /nfs/dbraw/zinc/16/52/70/689165270.db2.gz SUACDKHIJZJNSW-INIZCTEOSA-N 1 0 323.400 2.371 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cn1cccn1 ZINC000873133270 689166387 /nfs/dbraw/zinc/16/63/87/689166387.db2.gz OOWMFZGZARIBLI-NUJGCVRESA-N 1 0 313.401 2.350 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)cc1Cn1cccn1 ZINC000873135763 689167174 /nfs/dbraw/zinc/16/71/74/689167174.db2.gz NFPJPURHYAZBEJ-AWEZNQCLSA-N 1 0 315.417 2.191 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000873293626 689203910 /nfs/dbraw/zinc/20/39/10/689203910.db2.gz OFMKLBCBEORRNM-JSGCOSHPSA-N 1 0 308.397 2.341 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000873293625 689203945 /nfs/dbraw/zinc/20/39/45/689203945.db2.gz OFMKLBCBEORRNM-GXTWGEPZSA-N 1 0 308.397 2.341 20 10 DECDRO CN(C)c1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000873829385 689315420 /nfs/dbraw/zinc/31/54/20/689315420.db2.gz QPXOSLUAODYADV-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000874085271 689355249 /nfs/dbraw/zinc/35/52/49/689355249.db2.gz JVAIDWUVSAJUAG-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO C[NH+](C)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874467719 689420979 /nfs/dbraw/zinc/42/09/79/689420979.db2.gz OADQEAFYBUSRDR-UHFFFAOYSA-N 1 0 317.393 2.263 20 10 DECDRO C[C@H]1CCC[N@H+](CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875073870 689567213 /nfs/dbraw/zinc/56/72/13/689567213.db2.gz OHONTUKQUQUNLA-ZDUSSCGKSA-N 1 0 303.406 2.149 20 10 DECDRO COc1cc(C(=O)N[C@@H]2CCCC[N@@H+](C(C)C)C2)cc(OC)n1 ZINC001034288307 689796674 /nfs/dbraw/zinc/79/66/74/689796674.db2.gz IMPVZSVMPGLLAJ-CQSZACIVSA-N 1 0 321.421 2.092 20 10 DECDRO CO[C@@]1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCOC1 ZINC000876531652 689849274 /nfs/dbraw/zinc/84/92/74/689849274.db2.gz LJPDGERTBSKXGI-SJLPKXTDSA-N 1 0 321.417 2.179 20 10 DECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876666312 689894363 /nfs/dbraw/zinc/89/43/63/689894363.db2.gz HPHOZQUHSCWXNV-DGMVEKRQSA-N 1 0 301.346 2.040 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876713922 689912024 /nfs/dbraw/zinc/91/20/24/689912024.db2.gz QKDREWJABRBOQX-WBVHZDCISA-N 1 0 321.440 2.439 20 10 DECDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876749830 689926344 /nfs/dbraw/zinc/92/63/44/689926344.db2.gz NABQMBKMFKIMIJ-MAUKXSAKSA-N 1 0 318.461 2.383 20 10 DECDRO Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1 ZINC000876876630 689961502 /nfs/dbraw/zinc/96/15/02/689961502.db2.gz HEWHEHKXWHUDLS-UHFFFAOYSA-N 1 0 312.417 2.460 20 10 DECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876974297 689987456 /nfs/dbraw/zinc/98/74/56/689987456.db2.gz CDACURYUWUHSDD-QZTJIDSGSA-N 1 0 304.434 2.305 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc(F)n3)cc2)CC1 ZINC000877114985 690020912 /nfs/dbraw/zinc/02/09/12/690020912.db2.gz GITGCLXDKBWBSZ-UHFFFAOYSA-N 1 0 315.392 2.472 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000877141687 690028212 /nfs/dbraw/zinc/02/82/12/690028212.db2.gz ZNMJDENIKCPFOM-CQSZACIVSA-N 1 0 316.376 2.274 20 10 DECDRO Cc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(O)c1 ZINC000877196129 690043137 /nfs/dbraw/zinc/04/31/37/690043137.db2.gz UIANSPFYXZNMGF-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO COc1ccc(C[NH2+]C2CCC(CNC(C)=O)CC2)c(O)c1 ZINC000877493983 690130549 /nfs/dbraw/zinc/13/05/49/690130549.db2.gz SBPYEKGBAPDOHT-UHFFFAOYSA-N 1 0 306.406 2.185 20 10 DECDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877556845 690151185 /nfs/dbraw/zinc/15/11/85/690151185.db2.gz KWOYVQKYNGQULY-HNNXBMFYSA-N 1 0 306.450 2.146 20 10 DECDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877556846 690151486 /nfs/dbraw/zinc/15/14/86/690151486.db2.gz KWOYVQKYNGQULY-OAHLLOKOSA-N 1 0 306.450 2.146 20 10 DECDRO CCn1ncnc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000877592715 690161429 /nfs/dbraw/zinc/16/14/29/690161429.db2.gz SDWFCCDTRHBTFA-CQSZACIVSA-N 1 0 301.438 2.393 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3snnc3C)C2)cc1 ZINC000877597883 690163072 /nfs/dbraw/zinc/16/30/72/690163072.db2.gz BPGBEMGRZBUZKB-ZDUSSCGKSA-N 1 0 318.446 2.471 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2)CC1 ZINC000877605677 690165774 /nfs/dbraw/zinc/16/57/74/690165774.db2.gz VTTWOQVEWNHKNG-APWZRJJASA-N 1 0 316.445 2.259 20 10 DECDRO COCCC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877622760 690170796 /nfs/dbraw/zinc/17/07/96/690170796.db2.gz BWOOHSUJNWUXAE-UHFFFAOYSA-N 1 0 304.434 2.116 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000877676266 690186842 /nfs/dbraw/zinc/18/68/42/690186842.db2.gz ZVCISHIDNDCVQO-LBPRGKRZSA-N 1 0 300.284 2.185 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)cc1 ZINC000877679881 690188606 /nfs/dbraw/zinc/18/86/06/690188606.db2.gz LIBDCFNPTSQYKV-UHFFFAOYSA-N 1 0 323.440 2.339 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C(=O)OC)co2)c1 ZINC000877697727 690195051 /nfs/dbraw/zinc/19/50/51/690195051.db2.gz BKKBDWWPAFTHDI-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@]34CCC[C@H]3OCC4)cc2)CC1 ZINC000877771528 690220751 /nfs/dbraw/zinc/22/07/51/690220751.db2.gz QVXUFXZSJRCRHE-MOPGFXCFSA-N 1 0 316.445 2.449 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NOC)CC2)cc1 ZINC000877789133 690230053 /nfs/dbraw/zinc/23/00/53/690230053.db2.gz ZORLZUQPRQIXDM-UHFFFAOYSA-N 1 0 319.449 2.422 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](C)c2nccnc2C)cc1OC ZINC000877828491 690244415 /nfs/dbraw/zinc/24/44/15/690244415.db2.gz KZRAXYQGDGIOCS-NSHDSACASA-N 1 0 303.362 2.359 20 10 DECDRO CC[C@H](C[NH+]1CCN(c2ccc(OC)cc2OC)CC1)OC ZINC000879463521 690646987 /nfs/dbraw/zinc/64/69/87/690646987.db2.gz ZJKHICRYKLKORV-CQSZACIVSA-N 1 0 308.422 2.251 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](CCCCCO)CC2)cc1 ZINC000931495319 694412910 /nfs/dbraw/zinc/41/29/10/694412910.db2.gz IPCBTCBADKHEIX-UHFFFAOYSA-N 1 0 319.493 2.423 20 10 DECDRO CS[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852183 691174000 /nfs/dbraw/zinc/17/40/00/691174000.db2.gz IEDAQNUDIOARGJ-AWEZNQCLSA-N 1 0 321.490 2.196 20 10 DECDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC000881853925 691174383 /nfs/dbraw/zinc/17/43/83/691174383.db2.gz OJEHBSVGFZEHGX-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO CSC(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855373 691174609 /nfs/dbraw/zinc/17/46/09/691174609.db2.gz ULSHLAJUCAAHLV-UHFFFAOYSA-N 1 0 321.490 2.196 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000886341402 692061454 /nfs/dbraw/zinc/06/14/54/692061454.db2.gz UQXNNPTVPHTXPN-KHSSZTOVSA-N 1 0 321.417 2.463 20 10 DECDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749078 692182070 /nfs/dbraw/zinc/18/20/70/692182070.db2.gz IXPGENYNYCRVRC-GUYCJALGSA-N 1 0 301.434 2.276 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnnn1C ZINC000924706398 693174251 /nfs/dbraw/zinc/17/42/51/693174251.db2.gz HDQIZFFDCZPJBG-CYBMUJFWSA-N 1 0 317.462 2.219 20 10 DECDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924710265 693175665 /nfs/dbraw/zinc/17/56/65/693175665.db2.gz JNPNKWVJNFOLJU-HEHGZKQESA-N 1 0 308.397 2.175 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCN[C@@H]3C)C2)cc1 ZINC000925702193 693326898 /nfs/dbraw/zinc/32/68/98/693326898.db2.gz AKGQNYXXQQBQOS-IIDMSEBBSA-N 1 0 303.450 2.252 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cnn(C)n3)C2)cc1 ZINC000926612257 693478786 /nfs/dbraw/zinc/47/87/86/693478786.db2.gz MZWWCZPESIGNPN-KGLIPLIRSA-N 1 0 315.421 2.001 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccc(N(C)C)cc1 ZINC000927161371 693563255 /nfs/dbraw/zinc/56/32/55/693563255.db2.gz IKDVKOFWJPLAAX-RRQGHBQHSA-N 1 0 304.434 2.333 20 10 DECDRO CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cc2c(cc1O)CCCC2 ZINC001333860932 1150105025 /nfs/dbraw/zinc/10/50/25/1150105025.db2.gz GYGVKNSJLORPRP-SJORKVTESA-N 1 0 314.429 2.466 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)CCOC(C)C)C2)cc1 ZINC001335414461 1150411210 /nfs/dbraw/zinc/41/12/10/1150411210.db2.gz XCTHZMOCMIZXOE-DOTOQJQBSA-N 1 0 322.449 2.040 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2F)CC1 ZINC001343158903 1150698728 /nfs/dbraw/zinc/69/87/28/1150698728.db2.gz AJUKMNBJKZOFDD-MRXNPFEDSA-N 1 0 319.424 2.360 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC001345104155 1150865174 /nfs/dbraw/zinc/86/51/74/1150865174.db2.gz KBPZODVGMLQNRE-QGZVFWFLSA-N 1 0 309.417 2.419 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)C12CCC(CC1)[NH2+]2 ZINC001353739042 1151850040 /nfs/dbraw/zinc/85/00/40/1151850040.db2.gz MEGAGXQTHTWAGI-UHFFFAOYSA-N 1 0 300.402 2.172 20 10 DECDRO CN(C(=O)NCc1ccc(N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001357791502 1152338767 /nfs/dbraw/zinc/33/87/67/1152338767.db2.gz NFAPMPQKNHNZHA-XYPWUTKMSA-N 1 0 302.422 2.035 20 10 DECDRO CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(N)cc1 ZINC001357945547 1152349673 /nfs/dbraw/zinc/34/96/73/1152349673.db2.gz PBGUSZSKVXYDJL-UHFFFAOYSA-N 1 0 317.433 2.123 20 10 DECDRO C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001168448347 782427575 /nfs/dbraw/zinc/42/75/75/782427575.db2.gz KTYGDWRZWVPHDN-GTNSWQLSSA-N 1 0 305.349 2.491 20 10 DECDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nnc1C ZINC001167426534 777019385 /nfs/dbraw/zinc/01/93/85/777019385.db2.gz IJBRCMQRQDDWHS-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccoc2)cc1C ZINC001125494245 777093732 /nfs/dbraw/zinc/09/37/32/777093732.db2.gz QKJGJFZAHVNJFC-UHFFFAOYSA-N 1 0 316.401 2.435 20 10 DECDRO COc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)c(O)c1 ZINC000092787949 778848317 /nfs/dbraw/zinc/84/83/17/778848317.db2.gz VXIIKYCZQMARHU-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO C[NH2+]Cc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC001171174417 790892957 /nfs/dbraw/zinc/89/29/57/790892957.db2.gz SRQBLBSCGNNHCO-UHFFFAOYSA-N 1 0 323.194 2.276 20 10 DECDRO COc1ccc2c(c1)C[N@@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144499826 790933774 /nfs/dbraw/zinc/93/37/74/790933774.db2.gz KFXSGZYNJPNMCE-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1C ZINC001144520159 790938910 /nfs/dbraw/zinc/93/89/10/790938910.db2.gz HYCZKUORJVNAMH-RYUDHWBXSA-N 1 0 323.389 2.215 20 10 DECDRO COc1cc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cc(OC)c1 ZINC001144509183 790940090 /nfs/dbraw/zinc/94/00/90/790940090.db2.gz ODNQHLNEHRCSNY-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO C[N@H+](CCCC(=O)c1cccnc1)Cc1c(O)cc(O)cc1O ZINC001144514466 790941815 /nfs/dbraw/zinc/94/18/15/790941815.db2.gz GFZQWAMEJQXEHJ-UHFFFAOYSA-N 1 0 316.357 2.293 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1O ZINC000824798182 783607062 /nfs/dbraw/zinc/60/70/62/783607062.db2.gz IAAVXLZAMNGSST-KGLIPLIRSA-N 1 0 304.390 2.034 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001130092537 787286221 /nfs/dbraw/zinc/28/62/21/787286221.db2.gz XQXHIASDJHXLRS-ZDUSSCGKSA-N 1 0 312.360 2.255 20 10 DECDRO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCCC[C@H]1C ZINC001136243534 789671864 /nfs/dbraw/zinc/67/18/64/789671864.db2.gz GDHXZHGRCSXEPR-OLZOCXBDSA-N 1 0 306.406 2.019 20 10 DECDRO CCC[N@@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001071646435 789838963 /nfs/dbraw/zinc/83/89/63/789838963.db2.gz YKSUCUUTFFIRFG-GXTWGEPZSA-N 1 0 321.421 2.092 20 10 DECDRO CC[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240995 792289534 /nfs/dbraw/zinc/28/95/34/792289534.db2.gz RXLQWHKXWJEWMY-DGCLKSJQSA-N 1 0 317.393 2.167 20 10 DECDRO CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001171676954 793168086 /nfs/dbraw/zinc/16/80/86/793168086.db2.gz REUXJNHVLQMDLZ-CYBMUJFWSA-N 1 0 323.437 2.387 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+]C2CCC3(CCOCC3)CC2)cc1O ZINC001173035365 793562529 /nfs/dbraw/zinc/56/25/29/793562529.db2.gz FUZBIYOKLKENRA-KRWDZBQOSA-N 1 0 321.417 2.460 20 10 DECDRO O=C(C[NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccc(O)c(O)c1 ZINC001173476594 793735002 /nfs/dbraw/zinc/73/50/02/793735002.db2.gz CSMZJWBRQVWYGR-UHFFFAOYSA-N 1 0 319.307 2.316 20 10 DECDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001173632024 793788842 /nfs/dbraw/zinc/78/88/42/793788842.db2.gz XMGUMMPVXPVBEC-UONOGXRCSA-N 1 0 307.390 2.352 20 10 DECDRO Oc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC001173661972 793798662 /nfs/dbraw/zinc/79/86/62/793798662.db2.gz BVVZEPJPTXXHJD-UHFFFAOYSA-N 1 0 304.312 2.214 20 10 DECDRO CC[C@@]1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOC1 ZINC001116763835 794985093 /nfs/dbraw/zinc/98/50/93/794985093.db2.gz OJQGSSKISVHBIU-GOSISDBHSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCOC1 ZINC001116910504 794999183 /nfs/dbraw/zinc/99/91/83/794999183.db2.gz CYSSNCUEOHNNTF-GOEBONIOSA-N 1 0 321.440 2.092 20 10 DECDRO COCC[NH2+]C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001118235468 795168750 /nfs/dbraw/zinc/16/87/50/795168750.db2.gz PMNJPXGSDAQHPK-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO C[N@H+](Cc1ccc(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001204279160 795367086 /nfs/dbraw/zinc/36/70/86/795367086.db2.gz RUMDWSOQLBNYLO-UHFFFAOYSA-N 1 0 308.378 2.149 20 10 DECDRO O=C1NCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)O1 ZINC001119960078 795379522 /nfs/dbraw/zinc/37/95/22/795379522.db2.gz YANZNNXTDRPMSH-UHFFFAOYSA-N 1 0 315.417 2.361 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206436598 795387056 /nfs/dbraw/zinc/38/70/56/795387056.db2.gz MYAOVUNNYQMXEO-NWDGAFQWSA-N 1 0 317.202 2.334 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H](C)OC)C2)cc1C ZINC001181567740 795503859 /nfs/dbraw/zinc/50/38/59/795503859.db2.gz BMHQTVKRBUOPES-GDBMZVCRSA-N 1 0 320.433 2.119 20 10 DECDRO COc1cc(C[NH+]2CCC(n3cccn3)CC2)cc(O)c1O ZINC001204346421 795701046 /nfs/dbraw/zinc/70/10/46/795701046.db2.gz OXGOSRROOKZHRN-UHFFFAOYSA-N 1 0 303.362 2.140 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001122059575 795722087 /nfs/dbraw/zinc/72/20/87/795722087.db2.gz PBQGQRJESBXPJI-CJNGLKHVSA-N 1 0 319.449 2.154 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC001138354329 796203784 /nfs/dbraw/zinc/20/37/84/796203784.db2.gz FNRVGULMFQWRLG-UHFFFAOYSA-N 1 0 323.444 2.181 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001138496967 796227524 /nfs/dbraw/zinc/22/75/24/796227524.db2.gz VZFWCGLWZSJSIF-AEFFLSMTSA-N 1 0 302.418 2.134 20 10 DECDRO COc1cc(CN2CCO[C@H](C(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139259619 796350991 /nfs/dbraw/zinc/35/09/91/796350991.db2.gz YXRGHJANFVEBIF-KRWDZBQOSA-N 1 0 322.449 2.319 20 10 DECDRO Cc1cc(CN2CCO[C@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC001139674096 796409427 /nfs/dbraw/zinc/40/94/27/796409427.db2.gz NKTOEVXLPLATQU-GOSISDBHSA-N 1 0 317.477 2.358 20 10 DECDRO CSc1ncc(CN2CCc3cccc(O)c3C2)c(N)n1 ZINC001140251237 796496184 /nfs/dbraw/zinc/49/61/84/796496184.db2.gz CGMWZFRTKRCRMU-UHFFFAOYSA-N 1 0 302.403 2.045 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1cncnc1 ZINC001140288874 796502273 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Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001140664756 796553351 /nfs/dbraw/zinc/55/33/51/796553351.db2.gz RFAWCVZCZGQLKN-SFHVURJKSA-N 1 0 320.408 2.417 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)[C@@H]1CCCOC1 ZINC001140667057 796553369 /nfs/dbraw/zinc/55/33/69/796553369.db2.gz HFBCOMIYDAAOHM-MRXNPFEDSA-N 1 0 308.397 2.273 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(Cl)c1 ZINC001140922424 796597923 /nfs/dbraw/zinc/59/79/23/796597923.db2.gz QNASVNYONVWQHE-MRXNPFEDSA-N 1 0 307.825 2.118 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(OC)c1 ZINC001141029050 796619992 /nfs/dbraw/zinc/61/99/92/796619992.db2.gz IYHXMBBIVGVWFZ-KRWDZBQOSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)c(OC)c1 ZINC001141029624 796620987 /nfs/dbraw/zinc/62/09/87/796620987.db2.gz YBNWVDZZHWGIKP-UHFFFAOYSA-N 1 0 324.396 2.028 20 10 DECDRO c1c(C[N@@H+]2CCC3(C2)OCCO3)cc2c3c1CCCN3CCC2 ZINC001141076067 796632772 /nfs/dbraw/zinc/63/27/72/796632772.db2.gz LOFSKGWQBGUXOA-UHFFFAOYSA-N 1 0 314.429 2.334 20 10 DECDRO CCN(CC[NH+]1CCCC1)Cc1ccc2c(c1)OCCN2C ZINC001141142798 796638626 /nfs/dbraw/zinc/63/86/26/796638626.db2.gz BLGYDUCIRHDQTL-UHFFFAOYSA-N 1 0 303.450 2.433 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@@]1(O)C(F)(F)F ZINC001141156775 796641817 /nfs/dbraw/zinc/64/18/17/796641817.db2.gz URURVLDPJVJTMV-RNCFNFMXSA-N 1 0 305.296 2.233 20 10 DECDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1)N1CCCCC1 ZINC001141159033 796642012 /nfs/dbraw/zinc/64/20/12/796642012.db2.gz WTMBQWZVMXRJIE-CQSZACIVSA-N 1 0 318.417 2.322 20 10 DECDRO CCCOCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155417036 797752353 /nfs/dbraw/zinc/75/23/53/797752353.db2.gz ZIPYFDQNIXERFY-UHFFFAOYSA-N 1 0 308.422 2.026 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205780889 798085311 /nfs/dbraw/zinc/08/53/11/798085311.db2.gz SXSPIWHEZSEWSV-ZDUSSCGKSA-N 1 0 313.392 2.177 20 10 DECDRO Oc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1O ZINC001203878467 798194294 /nfs/dbraw/zinc/19/42/94/798194294.db2.gz HCQAQMJYBWOCFM-UHFFFAOYSA-N 1 0 312.413 2.458 20 10 DECDRO Oc1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1O ZINC001203882885 798235046 /nfs/dbraw/zinc/23/50/46/798235046.db2.gz WFYJTBQUZUVCKH-UHFFFAOYSA-N 1 0 308.397 2.496 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCCO[C@H](C(=O)OC)C2)cc1 ZINC001203945935 798567320 /nfs/dbraw/zinc/56/73/20/798567320.db2.gz PTRQKNCKFQXISD-KRWDZBQOSA-N 1 0 320.433 2.297 20 10 DECDRO Nc1ccc2c(c1NC1=CCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001159784010 798607547 /nfs/dbraw/zinc/60/75/47/798607547.db2.gz VKRUGKPNFNTPSX-UHFFFAOYSA-N 1 0 319.364 2.333 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CO[C@H](C)C2)cc1C ZINC001161331336 798829188 /nfs/dbraw/zinc/82/91/88/798829188.db2.gz KFDSJJIVRPGBMF-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO Nc1ccc(CC(=O)N2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001161597557 798893404 /nfs/dbraw/zinc/89/34/04/798893404.db2.gz PIRRDEZPGXQIFP-UHFFFAOYSA-N 1 0 321.424 2.432 20 10 DECDRO Oc1ccccc1C[N@@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001203551975 800078086 /nfs/dbraw/zinc/07/80/86/800078086.db2.gz VSMCIGIRDBAJIB-UHFFFAOYSA-N 1 0 310.357 2.183 20 10 DECDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203561104 800080742 /nfs/dbraw/zinc/08/07/42/800080742.db2.gz LGHHAWYTQGHPOF-CQSZACIVSA-N 1 0 300.358 2.449 20 10 DECDRO COCc1noc2c1CN(Cc1cccc(OC)c1O)CC2 ZINC001203591071 800085264 /nfs/dbraw/zinc/08/52/64/800085264.db2.gz BDNSIEAEXQXGNX-UHFFFAOYSA-N 1 0 304.346 2.094 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001203615298 800090658 /nfs/dbraw/zinc/09/06/58/800090658.db2.gz PTYIVRNJFSPGRU-QGZVFWFLSA-N 1 0 305.374 2.463 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001203634957 800096489 /nfs/dbraw/zinc/09/64/89/800096489.db2.gz CPXHGVYJSAWNQH-OAHLLOKOSA-N 1 0 315.373 2.153 20 10 DECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645884 800098988 /nfs/dbraw/zinc/09/89/88/800098988.db2.gz VGEHDNXMWAWENO-SKDRFNHKSA-N 1 0 300.196 2.500 20 10 DECDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)ccn1 ZINC001203882267 800139843 /nfs/dbraw/zinc/13/98/43/800139843.db2.gz ASAMSVIKFLIGPF-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204274265 800198132 /nfs/dbraw/zinc/19/81/32/800198132.db2.gz LMEVGPVLICCDRW-DLBZAZTESA-N 1 0 307.390 2.115 20 10 DECDRO Oc1ccc(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c(O)c1 ZINC001204277383 800198852 /nfs/dbraw/zinc/19/88/52/800198852.db2.gz CCSSVUJJRYDVIN-UHFFFAOYSA-N 1 0 319.336 2.070 20 10 DECDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001204323322 800204445 /nfs/dbraw/zinc/20/44/45/800204445.db2.gz GYQDMUUDGTXVFN-GOSISDBHSA-N 1 0 302.418 2.278 20 10 DECDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001204801282 800258540 /nfs/dbraw/zinc/25/85/40/800258540.db2.gz MRCNYUYHFQLPCV-MRXNPFEDSA-N 1 0 309.841 2.100 20 10 DECDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001205829522 800428358 /nfs/dbraw/zinc/42/83/58/800428358.db2.gz PAGRBNNJGHOUMW-WMLDXEAASA-N 1 0 321.440 2.222 20 10 DECDRO COc1cc(C[NH+]2CCC(n3nccc3C)CC2)c(O)cc1O ZINC001231639009 801701448 /nfs/dbraw/zinc/70/14/48/801701448.db2.gz JXCITSUDGYFDEN-UHFFFAOYSA-N 1 0 317.389 2.448 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001231853358 801736676 /nfs/dbraw/zinc/73/66/76/801736676.db2.gz JEFWDJDBFSNIEN-MRXNPFEDSA-N 1 0 315.421 2.190 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001231851937 801737090 /nfs/dbraw/zinc/73/70/90/801737090.db2.gz JPBXVHJGZRGUFC-QGZVFWFLSA-N 1 0 303.450 2.431 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)N3)CC2)cc1Cl ZINC001231869964 801742666 /nfs/dbraw/zinc/74/26/66/801742666.db2.gz CMNYRJBLGOYQCX-UHFFFAOYSA-N 1 0 309.797 2.001 20 10 DECDRO Oc1c(C[NH+]2CCN(c3ncncn3)CC2)ccc2ccccc21 ZINC001231881685 801744374 /nfs/dbraw/zinc/74/43/74/801744374.db2.gz ANDIDBBKGHOCCM-UHFFFAOYSA-N 1 0 321.384 2.053 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)CC1COC1 ZINC001232200361 801814629 /nfs/dbraw/zinc/81/46/29/801814629.db2.gz UOCLGMRLGLTVBC-UHFFFAOYSA-N 1 0 310.825 2.255 20 10 DECDRO Cn1cnnc1C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262692 801831920 /nfs/dbraw/zinc/83/19/20/801831920.db2.gz MRSPDSSRFAJYDJ-UHFFFAOYSA-N 1 0 322.796 2.259 20 10 DECDRO CN1CC2(CC1=O)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264079 801832716 /nfs/dbraw/zinc/83/27/16/801832716.db2.gz YVXIYUJGHPVCTC-UHFFFAOYSA-N 1 0 324.808 2.196 20 10 DECDRO CCN(Cc1ccccc1O)Cc1c(OC)ncnc1OC ZINC001232520435 801909078 /nfs/dbraw/zinc/90/90/78/801909078.db2.gz SRXYQOXUUPHTBY-UHFFFAOYSA-N 1 0 303.362 2.222 20 10 DECDRO C[N@H+](CCN1CCOCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415541 802112119 /nfs/dbraw/zinc/11/21/19/802112119.db2.gz AGZXTDQOEZWUPN-UHFFFAOYSA-N 1 0 318.339 2.175 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233419264 802113274 /nfs/dbraw/zinc/11/32/74/802113274.db2.gz QMXDTYXYDRFZCB-LBPRGKRZSA-N 1 0 318.339 2.173 20 10 DECDRO CC(=O)[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233455460 802120437 /nfs/dbraw/zinc/12/04/37/802120437.db2.gz LVLADZAFXVQWNG-CYBMUJFWSA-N 1 0 303.280 2.201 20 10 DECDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001217956431 802123543 /nfs/dbraw/zinc/12/35/43/802123543.db2.gz ZEDCTNNPJQBNDO-PHIMTYICSA-N 1 0 323.348 2.297 20 10 DECDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486264 802127860 /nfs/dbraw/zinc/12/78/60/802127860.db2.gz FUXJFERGGXCZHY-GFCCVEGCSA-N 1 0 323.389 2.500 20 10 DECDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487820 802128543 /nfs/dbraw/zinc/12/85/43/802128543.db2.gz SYDBSZQLESXUDI-ZDUSSCGKSA-N 1 0 316.357 2.160 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]C[C@@H]3F)cccc21 ZINC001218018584 802132486 /nfs/dbraw/zinc/13/24/86/802132486.db2.gz AQNJUYLKSSMXDU-ZFWWWQNUSA-N 1 0 311.312 2.151 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727632 802191292 /nfs/dbraw/zinc/19/12/92/802191292.db2.gz NOQZCGKLXHYQLB-SNVBAGLBSA-N 1 0 319.279 2.286 20 10 DECDRO Nc1nc(Cl)ccc1NC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001218766888 802239445 /nfs/dbraw/zinc/23/94/45/802239445.db2.gz NSEBWHADWACABV-SECBINFHSA-N 1 0 306.753 2.051 20 10 DECDRO Cc1ccc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1N ZINC001219119606 802286609 /nfs/dbraw/zinc/28/66/09/802286609.db2.gz FJZIBXQNVAASBI-UHFFFAOYSA-N 1 0 310.401 2.239 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)c2c1 ZINC001234525858 802403586 /nfs/dbraw/zinc/40/35/86/802403586.db2.gz LSWVQBLWLAMMQK-NVXWUHKLSA-N 1 0 305.349 2.459 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCn3ccnc3C2)cc1F ZINC001331277798 1149409273 /nfs/dbraw/zinc/40/92/73/1149409273.db2.gz RFKPFFDGCKJHLZ-GFCCVEGCSA-N 1 0 306.360 2.332 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)c(O)c1OC ZINC001335443580 1150418012 /nfs/dbraw/zinc/41/80/12/1150418012.db2.gz HSOFBBZXUHKRRY-KBPBESRZSA-N 1 0 308.422 2.372 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001343916696 1150783786 /nfs/dbraw/zinc/78/37/86/1150783786.db2.gz WYCRWYMBUUIFTE-DZGCQCFKSA-N 1 0 323.433 2.477 20 10 DECDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C(=O)[O-])ccc1O ZINC001593232200 994383691 /nfs/dbraw/zinc/38/36/91/994383691.db2.gz MWNHKAIHFWWPOP-FPMFFAJLSA-N 1 0 304.390 2.368 20 10 DECDRO Nc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC001524009879 1069792564 /nfs/dbraw/zinc/79/25/64/1069792564.db2.gz WQBZEOSWVQQDOJ-QGZVFWFLSA-N 1 0 324.428 2.192 20 10 DECDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCC1 ZINC001457536766 1057996390 /nfs/dbraw/zinc/99/63/90/1057996390.db2.gz USMOIGDLFVDFBK-LLVKDONJSA-N 1 0 303.366 2.063 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)cc1OC ZINC001458049630 1058042462 /nfs/dbraw/zinc/04/24/62/1058042462.db2.gz PDCRBYNOMSOWLF-UHFFFAOYSA-N 1 0 323.393 2.390 20 10 DECDRO CCOCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479752618 1061683794 /nfs/dbraw/zinc/68/37/94/1061683794.db2.gz CWRBFFCKSMGAGZ-UHFFFAOYSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CCOC2)cc1C ZINC001568985089 1065226907 /nfs/dbraw/zinc/22/69/07/1065226907.db2.gz KZLBYQDVYYUSJR-ZBFHGGJFSA-N 1 0 320.433 2.025 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCc1c(O)cccc1O ZINC001635847114 1078460378 /nfs/dbraw/zinc/46/03/78/1078460378.db2.gz HTSZAWOJZBLXQE-UHFFFAOYSA-N 1 0 306.387 2.151 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001578489958 1067118145 /nfs/dbraw/zinc/11/81/45/1067118145.db2.gz YKGOQNDYTCFYCP-KRWDZBQOSA-N 1 0 316.449 2.166 20 10 DECDRO CC(C)CN1CC[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272386830 1078845266 /nfs/dbraw/zinc/84/52/66/1078845266.db2.gz RISITEADCQWKCT-SFHVURJKSA-N 1 0 318.417 2.178 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001548671893 1072785755 /nfs/dbraw/zinc/78/57/55/1072785755.db2.gz SIBMHNFMAPVDGB-NFAWXSAZSA-N 1 0 318.417 2.137 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001560274652 1075135343 /nfs/dbraw/zinc/13/53/43/1075135343.db2.gz MKNCQGLEXUXXHJ-UKRRQHHQSA-N 1 0 308.397 2.319 20 10 DECDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001561046199 1075150018 /nfs/dbraw/zinc/15/00/18/1075150018.db2.gz FOMGDAJOGTUGRZ-KRWDZBQOSA-N 1 0 316.449 2.235 20 10 DECDRO COCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567036854 1075420730 /nfs/dbraw/zinc/42/07/30/1075420730.db2.gz VMDLRUJWBQIKQQ-CQSZACIVSA-N 1 0 322.449 2.271 20 10 DECDRO C[NH+](C)Cc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001651172987 1079793610 /nfs/dbraw/zinc/79/36/10/1079793610.db2.gz MRVKTHKMJYVJHD-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO CSCC[C@H]([NH2+]Cc1ccc(Cl)cc1O)C(=O)N(C)C ZINC001652580801 1079884195 /nfs/dbraw/zinc/88/41/95/1079884195.db2.gz UNGCLWLGOSGUHN-LBPRGKRZSA-N 1 0 316.854 2.345 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCCN1CCCO ZINC001657417385 1080172718 /nfs/dbraw/zinc/17/27/18/1080172718.db2.gz HXWYZRLQPDWYNA-MRXNPFEDSA-N 1 0 315.461 2.423 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](CO)CC2CCCC2)cc1OC ZINC001657904279 1080188483 /nfs/dbraw/zinc/18/84/83/1080188483.db2.gz BHIFATKOHXHDII-AWEZNQCLSA-N 1 0 309.406 2.440 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(=O)Nc2cccc(F)c2)c1 ZINC001658027499 1080193840 /nfs/dbraw/zinc/19/38/40/1080193840.db2.gz IHVOHJFBQJAEFT-UHFFFAOYSA-N 1 0 304.321 2.268 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC001659017957 1080225491 /nfs/dbraw/zinc/22/54/91/1080225491.db2.gz BIVOLLDVEMDTHN-KSSFIOAISA-N 1 0 321.417 2.479 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)[C@@H]1CN(C)CCN1C ZINC001660047335 1080260421 /nfs/dbraw/zinc/26/04/21/1080260421.db2.gz IVJOGPATGPGGIX-KSSFIOAISA-N 1 0 313.445 2.269 20 10 DECDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001664486871 1080916771 /nfs/dbraw/zinc/91/67/71/1080916771.db2.gz AUXGKJVWNCSBJW-UWVGGRQHSA-N 1 0 300.196 2.357 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1O ZINC001664600309 1080932144 /nfs/dbraw/zinc/93/21/44/1080932144.db2.gz BTCZQRMZPFADBQ-ZANVPECISA-N 1 0 300.196 2.357 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccn2C)cc1C ZINC001266923502 1082455414 /nfs/dbraw/zinc/45/54/14/1082455414.db2.gz ISDSEUZQXKITAV-AWEZNQCLSA-N 1 0 315.417 2.250 20 10 DECDRO CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266926857 1082457620 /nfs/dbraw/zinc/45/76/20/1082457620.db2.gz RFFAGDQTTSGQFN-KGLIPLIRSA-N 1 0 308.422 2.023 20 10 DECDRO CCC[NH2+]C/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483100342 1082708910 /nfs/dbraw/zinc/70/89/10/1082708910.db2.gz FJTNSLTVSVXANE-HUFSXBHGSA-N 1 0 303.366 2.135 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)OC)CCC2)cc1C ZINC001280468794 1082827686 /nfs/dbraw/zinc/82/76/86/1082827686.db2.gz FMOMWDQLRMIABM-AWEZNQCLSA-N 1 0 320.433 2.167 20 10 DECDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276830811 1083636934 /nfs/dbraw/zinc/63/69/34/1083636934.db2.gz VGTIMUQTJSPQNG-KRWDZBQOSA-N 1 0 306.406 2.111 20 10 DECDRO COc1ccc(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)c(O)c1 ZINC001277454719 1083979927 /nfs/dbraw/zinc/97/99/27/1083979927.db2.gz YNZYRNIVNAQQRD-UHFFFAOYSA-N 1 0 316.401 2.189 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c(Cl)c1 ZINC001277551492 1084032581 /nfs/dbraw/zinc/03/25/81/1084032581.db2.gz NSHWBAOKVQZFFU-LZJQFABFSA-N 1 0 321.852 2.396 20 10 DECDRO CC(C)(C)c1ccc(O)c(CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234970706 1084252357 /nfs/dbraw/zinc/25/23/57/1084252357.db2.gz KGBAKJRMFLIYOO-RHSMWYFYSA-N 1 0 304.434 2.110 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCOCC23C[NH2+]C3)cc1 ZINC001235016332 1084274121 /nfs/dbraw/zinc/27/41/21/1084274121.db2.gz RXGVQISHTGBZEH-UHFFFAOYSA-N 1 0 311.429 2.268 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235157261 1084330313 /nfs/dbraw/zinc/33/03/13/1084330313.db2.gz CIWJVZZZLCIPDZ-HNAYVOBHSA-N 1 0 313.445 2.014 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001235175161 1084334971 /nfs/dbraw/zinc/33/49/71/1084334971.db2.gz YGRACAWVIMIHTB-GXFFZTMASA-N 1 0 302.296 2.214 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235214229 1084347988 /nfs/dbraw/zinc/34/79/88/1084347988.db2.gz AEXOISUXRWYHPQ-MOPGFXCFSA-N 1 0 311.429 2.267 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001235681331 1084495884 /nfs/dbraw/zinc/49/58/84/1084495884.db2.gz HRTCJMYZNAXIHF-GOSISDBHSA-N 1 0 302.418 2.402 20 10 DECDRO Cn1ccc2ncc(-c3ccc(N4CC[NH+](C)CC4)nc3)cc21 ZINC001235975879 1084578886 /nfs/dbraw/zinc/57/88/86/1084578886.db2.gz QZSPEEZNGUZRHN-UHFFFAOYSA-N 1 0 307.401 2.387 20 10 DECDRO CCCC[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CC[NH2+]1 ZINC001236137495 1084619956 /nfs/dbraw/zinc/61/99/56/1084619956.db2.gz MIRCRSIDNZKEIV-MRXNPFEDSA-N 1 0 303.450 2.479 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000706807298 1086652626 /nfs/dbraw/zinc/65/26/26/1086652626.db2.gz IJCIEUBXJOIKIL-LBPRGKRZSA-N 1 0 318.236 2.112 20 10 DECDRO CCCC[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000957849884 1088662617 /nfs/dbraw/zinc/66/26/17/1088662617.db2.gz ZPXRCEUIGDLXAJ-UHFFFAOYSA-N 1 0 317.393 2.407 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(CC(F)F)C2=O)C1 ZINC001274304326 1091178728 /nfs/dbraw/zinc/17/87/28/1091178728.db2.gz SEZYOPTWYOLWDR-QGZVFWFLSA-N 1 0 324.371 2.390 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CC3(CCN3Cc3ccc[nH]3)C2)c1O ZINC001276118290 1091555319 /nfs/dbraw/zinc/55/53/19/1091555319.db2.gz VMROFVPCFOKKBY-UHFFFAOYSA-N 1 0 313.401 2.195 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C2)CCN(Cc2cn[nH]c2)C3)c(O)c1 ZINC001276168840 1091628480 /nfs/dbraw/zinc/62/84/80/1091628480.db2.gz JMGFZRCRHVHVLI-UHFFFAOYSA-N 1 0 312.417 2.132 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](OC)C(C)C)cc1C ZINC001275297415 1091657628 /nfs/dbraw/zinc/65/76/28/1091657628.db2.gz KVRKXWAZRCYNLK-YOEHRIQHSA-N 1 0 322.449 2.269 20 10 DECDRO CC(C)NC(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC001275913132 1092298277 /nfs/dbraw/zinc/29/82/77/1092298277.db2.gz ISJHZGNAWOAEDA-UHFFFAOYSA-N 1 0 321.396 2.157 20 10 DECDRO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490814245 1093703919 /nfs/dbraw/zinc/70/39/19/1093703919.db2.gz BQLGCIIPJONRAP-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3C3CC3)C2=O)cc1 ZINC001274022658 1093768762 /nfs/dbraw/zinc/76/87/62/1093768762.db2.gz KFLJGTJELMTVMY-LJQANCHMSA-N 1 0 313.445 2.482 20 10 DECDRO CC(C)(C)c1ccc(O)c(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c1 ZINC001236166133 1138336373 /nfs/dbraw/zinc/33/63/73/1138336373.db2.gz ODBKSOISFAQPSU-QGZVFWFLSA-N 1 0 318.461 2.379 20 10 DECDRO CC(C)(C)c1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c(O)c1 ZINC001236166847 1138336403 /nfs/dbraw/zinc/33/64/03/1138336403.db2.gz UAIOCGVLMCUXHV-KRWDZBQOSA-N 1 0 318.461 2.379 20 10 DECDRO C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@H](C)[NH2+]1 ZINC001236425683 1138360829 /nfs/dbraw/zinc/36/08/29/1138360829.db2.gz XUQNEJNEZPZHGD-UWVGGRQHSA-N 1 0 304.312 2.473 20 10 DECDRO COc1cc(C[N@H+](C)CC2COC2)c(O)cc1Br ZINC001236749336 1138407372 /nfs/dbraw/zinc/40/73/72/1138407372.db2.gz BGZGKFNNHKKUJO-UHFFFAOYSA-N 1 0 316.195 2.242 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(Cl)c1 ZINC001236802177 1138433389 /nfs/dbraw/zinc/43/33/89/1138433389.db2.gz IBSVNKWSZWJASR-NSHDSACASA-N 1 0 322.796 2.483 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC001236802176 1138434013 /nfs/dbraw/zinc/43/40/13/1138434013.db2.gz IBSVNKWSZWJASR-LLVKDONJSA-N 1 0 322.796 2.483 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC001236809206 1138434653 /nfs/dbraw/zinc/43/46/53/1138434653.db2.gz UQQQRJUYSKHACO-NSHDSACASA-N 1 0 301.333 2.159 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC001236809205 1138435048 /nfs/dbraw/zinc/43/50/48/1138435048.db2.gz UQQQRJUYSKHACO-LLVKDONJSA-N 1 0 301.333 2.159 20 10 DECDRO C[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@@H]1O ZINC001237119686 1138507959 /nfs/dbraw/zinc/50/79/59/1138507959.db2.gz JUWKFSLZTBYUPA-ONGXEEELSA-N 1 0 305.296 2.494 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001237486973 1138653245 /nfs/dbraw/zinc/65/32/45/1138653245.db2.gz WGSQHJWTUCAHGG-SFHVURJKSA-N 1 0 310.401 2.345 20 10 DECDRO COc1cc(CN(C)CCC[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237675671 1138749075 /nfs/dbraw/zinc/74/90/75/1138749075.db2.gz DUEVFATZQJUVKI-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)cc1Br ZINC001237677482 1138753884 /nfs/dbraw/zinc/75/38/84/1138753884.db2.gz NUIOIAIYLACOOE-LLVKDONJSA-N 1 0 300.196 2.420 20 10 DECDRO COc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(O)c(OC)c1 ZINC001237678068 1138754086 /nfs/dbraw/zinc/75/40/86/1138754086.db2.gz JYJKXGNRZSMVSD-LLVKDONJSA-N 1 0 313.394 2.439 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001238066188 1138819643 /nfs/dbraw/zinc/81/96/43/1138819643.db2.gz JEGNZMTUZBRAIQ-WFASDCNBSA-N 1 0 306.381 2.282 20 10 DECDRO Cc1nc2c(ccn2C)c(-c2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC001242726699 1140023143 /nfs/dbraw/zinc/02/31/43/1140023143.db2.gz OEJXLFXZBDZJGP-UHFFFAOYSA-N 1 0 310.405 2.407 20 10 DECDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(N)nc2)n1C ZINC001243865966 1140263397 /nfs/dbraw/zinc/26/33/97/1140263397.db2.gz CMYAYTGMWGBTIQ-UHFFFAOYSA-N 1 0 311.345 2.098 20 10 DECDRO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCOC3)cc2F)CC1 ZINC001319828561 1140747889 /nfs/dbraw/zinc/74/78/89/1140747889.db2.gz JVWLTFKGJNKISU-MRXNPFEDSA-N 1 0 321.440 2.046 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnnn1CC1CC1 ZINC001320627379 1140887163 /nfs/dbraw/zinc/88/71/63/1140887163.db2.gz BVAOFXJMTGEJBJ-WCQYABFASA-N 1 0 313.405 2.435 20 10 DECDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001320952237 1141004656 /nfs/dbraw/zinc/00/46/56/1141004656.db2.gz JTMPAMZOYXQTSQ-KJJZUGDZSA-N 1 0 302.418 2.422 20 10 DECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320968395 1141011870 /nfs/dbraw/zinc/01/18/70/1141011870.db2.gz ZDXDKQYHSXOIBD-KSSFIOAISA-N 1 0 321.440 2.235 20 10 DECDRO O=C1N[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2CO1 ZINC001321641668 1141320961 /nfs/dbraw/zinc/32/09/61/1141320961.db2.gz HAPYANWKSASEDE-WBVHZDCISA-N 1 0 315.417 2.217 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccco2)cc1C ZINC001321684541 1141327444 /nfs/dbraw/zinc/32/74/44/1141327444.db2.gz LQABIITYRWRCSC-CQSZACIVSA-N 1 0 316.401 2.434 20 10 DECDRO COc1cc(I)cc(C[NH+](C)C)c1O ZINC001248385883 1141785386 /nfs/dbraw/zinc/78/53/86/1141785386.db2.gz COYDPKVTIWSNGS-UHFFFAOYSA-N 1 0 307.131 2.067 20 10 DECDRO CCOCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323281746 1141836807 /nfs/dbraw/zinc/83/68/07/1141836807.db2.gz KGJUIOOJGYRBDK-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2ccccn2)c(O)c1 ZINC001249172657 1141856705 /nfs/dbraw/zinc/85/67/05/1141856705.db2.gz OWKQNXFKRYIKBA-UHFFFAOYSA-N 1 0 314.385 2.177 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC001249223992 1141862258 /nfs/dbraw/zinc/86/22/58/1141862258.db2.gz QFSWHUKJFQMOGF-ZDUSSCGKSA-N 1 0 316.401 2.274 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1 ZINC001249223667 1141862288 /nfs/dbraw/zinc/86/22/88/1141862288.db2.gz LTVVJARLGPUKPJ-SWLSCSKDSA-N 1 0 307.390 2.107 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223267 1141862404 /nfs/dbraw/zinc/86/24/04/1141862404.db2.gz CZIVYINFBSSIJG-KGLIPLIRSA-N 1 0 307.365 2.481 20 10 DECDRO C[NH+](C)CCNC(=S)NCc1cc2ccccc2cc1O ZINC001249850093 1142043394 /nfs/dbraw/zinc/04/33/94/1142043394.db2.gz ZBQMGBBPTRSRCA-UHFFFAOYSA-N 1 0 303.431 2.071 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(F)c1 ZINC001250808581 1142322420 /nfs/dbraw/zinc/32/24/20/1142322420.db2.gz KPHUGOXQPULWIO-HNNXBMFYSA-N 1 0 305.349 2.403 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001336254216 1142388387 /nfs/dbraw/zinc/38/83/87/1142388387.db2.gz FJRCIIFIYOQGDX-HNNXBMFYSA-N 1 0 305.422 2.312 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(O)c1OC ZINC001336748652 1142557646 /nfs/dbraw/zinc/55/76/46/1142557646.db2.gz WAOPFKACOPWRLT-CSMYWGQOSA-N 1 0 319.401 2.457 20 10 DECDRO C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001336948861 1142639416 /nfs/dbraw/zinc/63/94/16/1142639416.db2.gz YEFOVPQMFRBLQZ-YOEHRIQHSA-N 1 0 316.449 2.036 20 10 DECDRO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001253460375 1142873178 /nfs/dbraw/zinc/87/31/78/1142873178.db2.gz UTMDIDNRCKLPPL-AWEZNQCLSA-N 1 0 309.406 2.022 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c(O)c1 ZINC001254729767 1143316218 /nfs/dbraw/zinc/31/62/18/1143316218.db2.gz MBQUANIUPSSGLB-UWVGGRQHSA-N 1 0 304.312 2.418 20 10 DECDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001255338551 1143564180 /nfs/dbraw/zinc/56/41/80/1143564180.db2.gz NBXBZTMNWNQCQI-QWHCGFSZSA-N 1 0 323.389 2.057 20 10 DECDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001255829060 1143809351 /nfs/dbraw/zinc/80/93/51/1143809351.db2.gz DXLXHMRDXVQSFH-APPDUMDISA-N 1 0 305.349 2.491 20 10 DECDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001255856787 1143810987 /nfs/dbraw/zinc/81/09/87/1143810987.db2.gz XIOKUIKSSMQLMY-GTNSWQLSSA-N 1 0 305.349 2.491 20 10 DECDRO O=C(N1CCC([NH2+]Cc2ccccc2O)CC1)C(F)(F)F ZINC001255969440 1143817757 /nfs/dbraw/zinc/81/77/57/1143817757.db2.gz AXXCEOLPKSVITB-UHFFFAOYSA-N 1 0 302.296 2.035 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCCN(C3CCCC3)C2)cc1O ZINC001256893934 1143873020 /nfs/dbraw/zinc/87/30/20/1143873020.db2.gz BPHUSEZVUSEQBF-RDTXWAMCSA-N 1 0 320.433 2.128 20 10 DECDRO O=C(CN[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(O)c(O)c1 ZINC001256904747 1143874265 /nfs/dbraw/zinc/87/42/65/1143874265.db2.gz MRHNEZLHSZHDDG-AWEZNQCLSA-N 1 0 318.417 2.277 20 10 DECDRO C[NH+]1CCC(O)(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256965420 1143876932 /nfs/dbraw/zinc/87/69/32/1143876932.db2.gz BDRRQKSLCNYORS-UHFFFAOYSA-N 1 0 324.384 2.441 20 10 DECDRO COC(=O)CC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001258363017 1143997445 /nfs/dbraw/zinc/99/74/45/1143997445.db2.gz CMOJZVAMVKKFNT-AWEZNQCLSA-N 1 0 306.406 2.159 20 10 DECDRO COCCN1CC[N@H+](Cc2cc(C)cc(OC)c2O)C(C)(C)C1 ZINC001262111332 1144291341 /nfs/dbraw/zinc/29/13/41/1144291341.db2.gz CQICWIXJMJGEPT-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@@H]2C1 ZINC001262488283 1144315731 /nfs/dbraw/zinc/31/57/31/1144315731.db2.gz XBPHAPMOEPRKNV-DVOMOZLQSA-N 1 0 302.422 2.463 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC001262569919 1144319740 /nfs/dbraw/zinc/31/97/40/1144319740.db2.gz JJIUQGBMRXLVHL-YPMHNXCESA-N 1 0 318.339 2.177 20 10 DECDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](C)OC)C2)cc1C ZINC001264770171 1144608312 /nfs/dbraw/zinc/60/83/12/1144608312.db2.gz NJSAEBWFJMEMKA-JEYLPNPQSA-N 1 0 320.433 2.023 20 10 DECDRO COC1(OC)CCOC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001308508197 1147476683 /nfs/dbraw/zinc/47/66/83/1147476683.db2.gz UWXPKHUVBWHKAY-FUTAKVPZSA-N 1 0 320.433 2.133 20 10 DECDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CS1(=O)=O ZINC001327211169 1148348962 /nfs/dbraw/zinc/34/89/62/1148348962.db2.gz XEGZQRHIXMZNCL-HOCLYGCPSA-N 1 0 322.474 2.342 20 10 DECDRO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C)ccc1O ZINC000378332977 529911019 /nfs/dbraw/zinc/91/10/19/529911019.db2.gz DBADJOHMOQXLLY-KRWDZBQOSA-N 1 0 310.397 2.374 20 10 DECDRO C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000077450394 355205632 /nfs/dbraw/zinc/20/56/32/355205632.db2.gz FYCFGFLYMIFKRK-UHFFFAOYSA-N 1 0 319.232 2.245 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550364 355316304 /nfs/dbraw/zinc/31/63/04/355316304.db2.gz UMRVKUFTVJFDCG-LSDHHAIUSA-N 1 0 303.406 2.160 20 10 DECDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCc4ccccc43)c21 ZINC000592476366 357883262 /nfs/dbraw/zinc/88/32/62/357883262.db2.gz BZZILXFVVZTPNY-AWEZNQCLSA-N 1 0 310.401 2.312 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000104341876 194000309 /nfs/dbraw/zinc/00/03/09/194000309.db2.gz FAUSVCSEMISJOT-MRXNPFEDSA-N 1 0 307.413 2.382 20 10 DECDRO Cc1cccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295022156 224384654 /nfs/dbraw/zinc/38/46/54/224384654.db2.gz KRXNPMBSFMSNGS-OAHLLOKOSA-N 1 0 303.406 2.284 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273167194 130095372 /nfs/dbraw/zinc/09/53/72/130095372.db2.gz LPFBFXRXKDKMSK-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CC[NH+](C)CC1 ZINC000273192230 130096272 /nfs/dbraw/zinc/09/62/72/130096272.db2.gz IHQBRSHDZDEZEO-UHFFFAOYSA-N 1 0 317.433 2.210 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)(C)n1cncn1 ZINC000284195610 131057591 /nfs/dbraw/zinc/05/75/91/131057591.db2.gz RWMXEBXUTFTUMG-GFCCVEGCSA-N 1 0 305.401 2.397 20 10 DECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2COC)c(O)c1 ZINC000284611254 131096749 /nfs/dbraw/zinc/09/67/49/131096749.db2.gz QTCKQIUOTFQKDQ-HOCLYGCPSA-N 1 0 309.406 2.417 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)C[NH3+] ZINC000285733288 131197222 /nfs/dbraw/zinc/19/72/22/131197222.db2.gz GTNPSUGMFACXSE-VIFPVBQESA-N 1 0 315.211 2.098 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1C ZINC000286924690 131255542 /nfs/dbraw/zinc/25/55/42/131255542.db2.gz FVNLKZURFWSVIA-ZIAGYGMSSA-N 1 0 311.447 2.484 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH2+]C2CC2)cc1F ZINC000295222175 131890774 /nfs/dbraw/zinc/89/07/74/131890774.db2.gz RBJMWKCLBWCTLE-GFCCVEGCSA-N 1 0 307.413 2.429 20 10 DECDRO CC(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCOCC1 ZINC000113317087 401775836 /nfs/dbraw/zinc/77/58/36/401775836.db2.gz MMVWCXCXVALPOA-HNNXBMFYSA-N 1 0 312.841 2.492 20 10 DECDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000113345068 401777037 /nfs/dbraw/zinc/77/70/37/401777037.db2.gz KGNGCRJVOBKQDR-UHFFFAOYSA-N 1 0 305.827 2.349 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000091927135 401999055 /nfs/dbraw/zinc/99/90/55/401999055.db2.gz OGENAUSDDWQCOW-HOCLYGCPSA-N 1 0 307.390 2.171 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091928288 401999247 /nfs/dbraw/zinc/99/92/47/401999247.db2.gz FRDOVIKOHNZWMJ-IRXDYDNUSA-N 1 0 307.390 2.171 20 10 DECDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(N2CCOCC2)cc1 ZINC000151107912 402016111 /nfs/dbraw/zinc/01/61/11/402016111.db2.gz JRIGXKUQRUQFNS-MRXNPFEDSA-N 1 0 314.433 2.461 20 10 DECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000152462339 402096466 /nfs/dbraw/zinc/09/64/66/402096466.db2.gz SGNSKCFUMNACLD-PELKAZGASA-N 1 0 320.252 2.357 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000153022471 402122312 /nfs/dbraw/zinc/12/23/12/402122312.db2.gz FLMXFKOJUHUORS-OAHLLOKOSA-N 1 0 307.371 2.180 20 10 DECDRO CCCOc1ccc(CN2CC[NH+](C[C@@H](O)CC)CC2)c(O)c1 ZINC000123578690 402135584 /nfs/dbraw/zinc/13/55/84/402135584.db2.gz YCMPXIJXWZHLJK-INIZCTEOSA-N 1 0 322.449 2.070 20 10 DECDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000153022592 402122604 /nfs/dbraw/zinc/12/26/04/402122604.db2.gz FLMXFKOJUHUORS-HNNXBMFYSA-N 1 0 307.371 2.180 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCn3ccnc3)CC2)cc1 ZINC000155688189 402264800 /nfs/dbraw/zinc/26/48/00/402264800.db2.gz BQBJGKFDVHRHPQ-UHFFFAOYSA-N 1 0 300.406 2.150 20 10 DECDRO CC(C)CCOCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770458 402275780 /nfs/dbraw/zinc/27/57/80/402275780.db2.gz YTOHEUAAHRRHPS-UHFFFAOYSA-N 1 0 308.422 2.003 20 10 DECDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184921986 402309633 /nfs/dbraw/zinc/30/96/33/402309633.db2.gz SDVSVPPCGDFXFP-SECBINFHSA-N 1 0 315.211 2.332 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000177248561 402385380 /nfs/dbraw/zinc/38/53/80/402385380.db2.gz MIUVISCAJJLVIL-UHFFFAOYSA-N 1 0 309.337 2.073 20 10 DECDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000165013556 402471754 /nfs/dbraw/zinc/47/17/54/402471754.db2.gz SOPXHWWIDKUUAX-GASCZTMLSA-N 1 0 303.450 2.296 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000182345504 402682450 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CN(C)c1ccc(C[N@H+](C[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000280053739 402966988 /nfs/dbraw/zinc/96/69/88/402966988.db2.gz PFHYPSMWWCYIJS-OAHLLOKOSA-N 1 0 322.474 2.152 20 10 DECDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000280334994 402989478 /nfs/dbraw/zinc/98/94/78/402989478.db2.gz RMQVWHWPJHTXCC-SFHVURJKSA-N 1 0 301.434 2.374 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000280192813 402973681 /nfs/dbraw/zinc/97/36/81/402973681.db2.gz AXCBXQYYQADCDC-BHYGNILZSA-N 1 0 306.450 2.438 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000280258916 402980394 /nfs/dbraw/zinc/98/03/94/402980394.db2.gz JMYRBVYZEFRIQQ-IRXDYDNUSA-N 1 0 306.450 2.267 20 10 DECDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280306228 402985903 /nfs/dbraw/zinc/98/59/03/402985903.db2.gz OLQMJYXBNUJJGJ-ZDUSSCGKSA-N 1 0 320.355 2.258 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c(O)c1 ZINC000281249261 403061632 /nfs/dbraw/zinc/06/16/32/403061632.db2.gz 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ZINC000293882827 403590416 /nfs/dbraw/zinc/59/04/16/403590416.db2.gz VMBCMOGSNFVFJJ-JTQLQIEISA-N 1 0 304.312 2.338 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000295315807 403851702 /nfs/dbraw/zinc/85/17/02/403851702.db2.gz YRKITHNXIPGAQU-GDBMZVCRSA-N 1 0 320.433 2.288 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1OC ZINC000291019158 404371440 /nfs/dbraw/zinc/37/14/40/404371440.db2.gz DGTKTKWEGPXDRG-ZDUSSCGKSA-N 1 0 303.362 2.053 20 10 DECDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC001329711198 1148979524 /nfs/dbraw/zinc/97/95/24/1148979524.db2.gz VFLONOVTBNUNSX-IFUGULHKSA-N 1 0 323.387 2.130 20 10 DECDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(N2CCCCC2)cc1 ZINC000269761587 225386540 /nfs/dbraw/zinc/38/65/40/225386540.db2.gz BOIREPSTPHQWRJ-SFHVURJKSA-N 1 0 305.466 2.079 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378418185 227213839 /nfs/dbraw/zinc/21/38/39/227213839.db2.gz COKIULPRUVMTGB-YOEHRIQHSA-N 1 0 307.390 2.219 20 10 DECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000289079355 279088016 /nfs/dbraw/zinc/08/80/16/279088016.db2.gz OAHQUZALSWOWCS-OCCSQVGLSA-N 1 0 304.390 2.180 20 10 DECDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000279465152 279316467 /nfs/dbraw/zinc/31/64/67/279316467.db2.gz RNNAOVDLIMVRQC-CQSZACIVSA-N 1 0 309.429 2.044 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000269307321 280336618 /nfs/dbraw/zinc/33/66/18/280336618.db2.gz ZFVIKRBSWRELHO-WBMJQRKESA-N 1 0 312.417 2.298 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC001349137363 1151225217 /nfs/dbraw/zinc/22/52/17/1151225217.db2.gz IIGHYSHNLBVMSJ-SQWLQELKSA-N 1 0 307.413 2.397 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000360076504 337084919 /nfs/dbraw/zinc/08/49/19/337084919.db2.gz QJMBVQPJCRRDRI-LJQANCHMSA-N 1 0 315.461 2.193 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000520771873 337390703 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COc1cc(O)c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000181095759 522770623 /nfs/dbraw/zinc/77/06/23/522770623.db2.gz CZDVVWUNBIXOCK-OCCSQVGLSA-N 1 0 309.406 2.392 20 10 DECDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1CC(F)(F)F ZINC000296781363 534844298 /nfs/dbraw/zinc/84/42/98/534844298.db2.gz KTONIFSEFFBROO-WDEREUQCSA-N 1 0 314.307 2.132 20 10 DECDRO Cn1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000160315568 527336326 /nfs/dbraw/zinc/33/63/26/527336326.db2.gz UCGSPNULYBAHFP-LCYFTJDESA-N 1 0 321.471 2.321 20 10 DECDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000377842018 528521403 /nfs/dbraw/zinc/52/14/03/528521403.db2.gz GHJSBBWITCNIJZ-KRWDZBQOSA-N 1 0 309.406 2.394 20 10 DECDRO CC(C)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000299451618 535186697 /nfs/dbraw/zinc/18/66/97/535186697.db2.gz UMCNECKPYINKGC-UHFFFAOYSA-N 1 0 322.428 2.127 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835041459 649870431 /nfs/dbraw/zinc/87/04/31/649870431.db2.gz XNDJUZPCYUCCSO-DFOWFJPXSA-N 1 0 313.445 2.365 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000835045331 649870815 /nfs/dbraw/zinc/87/08/15/649870815.db2.gz KPXBWSAUUTVCOO-ARJAWSKDSA-N 1 0 315.417 2.340 20 10 DECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[S@](=O)C1 ZINC000835048363 649871180 /nfs/dbraw/zinc/87/11/80/649871180.db2.gz HMBPBIGYIGDQPP-CYUBDGMSSA-N 1 0 306.475 2.466 20 10 DECDRO C[C@H](O)C[N@@H+]1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835054845 649872702 /nfs/dbraw/zinc/87/27/02/649872702.db2.gz RTGCRKJJRAAQAU-DJAVDHGHSA-N 1 0 317.477 2.153 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NC2(C)CC2)[NH+](C)C)cc1 ZINC001355381822 1152007614 /nfs/dbraw/zinc/00/76/14/1152007614.db2.gz YWQWGZYWOUZPLO-HNNXBMFYSA-N 1 0 304.438 2.207 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840889504 625417247 /nfs/dbraw/zinc/41/72/47/625417247.db2.gz IKNUHOGZSRWOHU-NSHDSACASA-N 1 0 306.797 2.359 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(O)cc1C ZINC000160178070 622570767 /nfs/dbraw/zinc/57/07/67/622570767.db2.gz DIGIVHOXXMBKLF-HNNXBMFYSA-N 1 0 318.417 2.296 20 10 DECDRO CC(=O)NCC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840911507 625582430 /nfs/dbraw/zinc/58/24/30/625582430.db2.gz DZVDEEDOYMBLTF-UHFFFAOYSA-N 1 0 303.450 2.409 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)cc1OC ZINC000160278997 623208808 /nfs/dbraw/zinc/20/88/08/623208808.db2.gz IBFYEFCJFQZGHQ-CQSZACIVSA-N 1 0 308.422 2.181 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000892447429 625672096 /nfs/dbraw/zinc/67/20/96/625672096.db2.gz XWGRJAIXYLYRRP-JHJVBQTASA-N 1 0 321.421 2.279 20 10 DECDRO CSC[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252911 623798564 /nfs/dbraw/zinc/79/85/64/623798564.db2.gz OMENPCIFLFILLW-CZUORRHYSA-N 1 0 323.506 2.471 20 10 DECDRO CCC[C@@H](O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253445 623799499 /nfs/dbraw/zinc/79/94/99/623799499.db2.gz SLUJFOJUBJKUCS-SJORKVTESA-N 1 0 321.465 2.023 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(F)F)C2)cc1C ZINC001021771684 624062814 /nfs/dbraw/zinc/06/28/14/624062814.db2.gz ITKKKOBHDXZDJU-BETUJISGSA-N 1 0 312.360 2.396 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)F)C2)cc1C ZINC001021771433 624062880 /nfs/dbraw/zinc/06/28/80/624062880.db2.gz CYIZOQYFNFYHQS-OKILXGFUSA-N 1 0 308.397 2.489 20 10 DECDRO CCC(CC)[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000891607865 624490569 /nfs/dbraw/zinc/49/05/69/624490569.db2.gz RNDMLEIMHOZOML-UHFFFAOYSA-N 1 0 306.454 2.330 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933671271 624594714 /nfs/dbraw/zinc/59/47/14/624594714.db2.gz XDTMPXKHQGZQCB-WMZOPIPTSA-N 1 0 304.434 2.380 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(O)c1OC ZINC000891905838 624656183 /nfs/dbraw/zinc/65/61/83/624656183.db2.gz SQAYBLYZFJKBLS-CQSZACIVSA-N 1 0 317.389 2.443 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000892069437 624768595 /nfs/dbraw/zinc/76/85/95/624768595.db2.gz KOIYFLRCNSJXQF-KBPBESRZSA-N 1 0 323.824 2.472 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1O ZINC000892189542 624832704 /nfs/dbraw/zinc/83/27/04/624832704.db2.gz YISBUAFCLFZPMH-RFQIPJPRSA-N 1 0 303.406 2.141 20 10 DECDRO COc1ccc(N2CCC(Nc3cc[nH+]cc3CO)CC2)cc1 ZINC000892269427 624912139 /nfs/dbraw/zinc/91/21/39/624912139.db2.gz ORMSVMLLTMIHFG-UHFFFAOYSA-N 1 0 313.401 2.085 20 10 DECDRO CCC[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1O ZINC000066497620 625120102 /nfs/dbraw/zinc/12/01/02/625120102.db2.gz PETSROOGBIJMDM-UHFFFAOYSA-N 1 0 312.373 2.140 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCCCC2)c(O)c1OC ZINC000892650763 625226565 /nfs/dbraw/zinc/22/65/65/625226565.db2.gz MLUSBVBCJNWNRI-CYBMUJFWSA-N 1 0 308.422 2.373 20 10 DECDRO CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698651 634452833 /nfs/dbraw/zinc/45/28/33/634452833.db2.gz OGIZLYFKOPMLPB-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)cc1F ZINC000836290506 650075673 /nfs/dbraw/zinc/07/56/73/650075673.db2.gz CZUYIIJZASQOOT-ZDUSSCGKSA-N 1 0 324.444 2.421 20 10 DECDRO COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c(O)c1OC ZINC000893409499 633510661 /nfs/dbraw/zinc/51/06/61/633510661.db2.gz RSPREDCOVPJCRF-OCCSQVGLSA-N 1 0 309.406 2.392 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000893536833 634216070 /nfs/dbraw/zinc/21/60/70/634216070.db2.gz MBPQHRAGERNYTK-CMPLNLGQSA-N 1 0 323.824 2.470 20 10 DECDRO COc1ccc(C[N@H+](C)CCc2ccccn2)c(O)c1OC ZINC000893538863 634241219 /nfs/dbraw/zinc/24/12/19/634241219.db2.gz AMKVIJKXGNSQEY-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO CN(C)C(=O)[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840957968 635729909 /nfs/dbraw/zinc/72/99/09/635729909.db2.gz NNIGUWCLIQZRHL-OGZRUICASA-N 1 0 301.434 2.176 20 10 DECDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2[O-])CN1 ZINC000894095816 636111531 /nfs/dbraw/zinc/11/15/31/636111531.db2.gz SNWYWWLEGZNEKK-HZMBPMFUSA-N 1 0 310.344 2.161 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)OCO2 ZINC000922464570 636188496 /nfs/dbraw/zinc/18/84/96/636188496.db2.gz VWPRBKLIJCLWIN-TVQRCGJNSA-N 1 0 319.279 2.320 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)c1 ZINC000922499526 636202926 /nfs/dbraw/zinc/20/29/26/636202926.db2.gz ZNKPXXFGFFZYHH-UHFFFAOYSA-N 1 0 317.389 2.008 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000922525056 636218433 /nfs/dbraw/zinc/21/84/33/636218433.db2.gz OEWQGYZBLDXDRC-HOTGVXAUSA-N 1 0 322.474 2.460 20 10 DECDRO OC1(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CC2)CCOCC1 ZINC000922596831 636274356 /nfs/dbraw/zinc/27/43/56/636274356.db2.gz GTTQEVTZUWLIOY-UHFFFAOYSA-N 1 0 303.402 2.033 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000922793342 636404720 /nfs/dbraw/zinc/40/47/20/636404720.db2.gz CVXGJGPYIMOXBE-LBPRGKRZSA-N 1 0 322.405 2.500 20 10 DECDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000894200518 636406610 /nfs/dbraw/zinc/40/66/10/636406610.db2.gz NGWOISVESZAJAC-UHFFFAOYSA-N 1 0 312.417 2.099 20 10 DECDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000726589356 636445758 /nfs/dbraw/zinc/44/57/58/636445758.db2.gz WUTCCSHAVHKYMK-GFCCVEGCSA-N 1 0 307.346 2.039 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)OCO2 ZINC000922895176 636780618 /nfs/dbraw/zinc/78/06/18/636780618.db2.gz CUSAUWIBKRLVPO-PXAZEXFGSA-N 1 0 305.374 2.416 20 10 DECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922954010 636881961 /nfs/dbraw/zinc/88/19/61/636881961.db2.gz GBAXLRZVSIYALD-CQSZACIVSA-N 1 0 312.360 2.013 20 10 DECDRO COc1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)c(O)c1OC ZINC000894397342 636998833 /nfs/dbraw/zinc/99/88/33/636998833.db2.gz USPOYUOPFHOIKE-ZDUSSCGKSA-N 1 0 320.393 2.025 20 10 DECDRO C[C@H]1[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000928427351 637083183 /nfs/dbraw/zinc/08/31/83/637083183.db2.gz JNDKGJMRFFIACH-WPRPVWTQSA-N 1 0 306.387 2.135 20 10 DECDRO COc1cc(C)cc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c1O ZINC000894970584 637349594 /nfs/dbraw/zinc/34/95/94/637349594.db2.gz HTPYLEXHFCGSDD-UHFFFAOYSA-N 1 0 307.390 2.483 20 10 DECDRO CCC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057698 637438200 /nfs/dbraw/zinc/43/82/00/637438200.db2.gz HKGVNEMRVCVPBI-LLVKDONJSA-N 1 0 309.366 2.190 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCCC[NH3+] ZINC000237220623 637564582 /nfs/dbraw/zinc/56/45/82/637564582.db2.gz CRIMZUCWFFRHRV-UHFFFAOYSA-N 1 0 319.449 2.001 20 10 DECDRO CC[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OC ZINC000895120823 637599073 /nfs/dbraw/zinc/59/90/73/637599073.db2.gz BSCXQGDCJHFQLH-AWEZNQCLSA-N 1 0 320.433 2.453 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NOC2CCC2)[NH+](C)C)cc1 ZINC000895136422 637645969 /nfs/dbraw/zinc/64/59/69/637645969.db2.gz UYZJISNAWGUFQL-INIZCTEOSA-N 1 0 320.437 2.139 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000840825392 650362994 /nfs/dbraw/zinc/36/29/94/650362994.db2.gz FZGDQTOYJHBYNY-WFASDCNBSA-N 1 0 302.418 2.448 20 10 DECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898967 650373282 /nfs/dbraw/zinc/37/32/82/650373282.db2.gz LPIPMTUHCMLZDW-SNVBAGLBSA-N 1 0 305.827 2.267 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000840905748 650375297 /nfs/dbraw/zinc/37/52/97/650375297.db2.gz AFYNTHQVAABHDX-UHFFFAOYSA-N 1 0 310.741 2.249 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000840910339 650378058 /nfs/dbraw/zinc/37/80/58/650378058.db2.gz QZQWOTNKXJBVHR-QGZVFWFLSA-N 1 0 324.490 2.460 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)c(Cl)c1 ZINC000840910192 650378185 /nfs/dbraw/zinc/37/81/85/650378185.db2.gz WVOHOQRLXOLLFJ-SNVBAGLBSA-N 1 0 303.811 2.021 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000895390254 637994238 /nfs/dbraw/zinc/99/42/38/637994238.db2.gz VJOSIFZYNVOLGH-SFHVURJKSA-N 1 0 317.385 2.412 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000895485264 638054013 /nfs/dbraw/zinc/05/40/13/638054013.db2.gz OFPDJQYSYMYYCX-SFHVURJKSA-N 1 0 301.434 2.197 20 10 DECDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000742373920 638065871 /nfs/dbraw/zinc/06/58/71/638065871.db2.gz LBBKFZFSWQTTRM-UHFFFAOYSA-N 1 0 314.433 2.282 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000742745201 638092319 /nfs/dbraw/zinc/09/23/19/638092319.db2.gz IXVGEKPBJILYLZ-MRXNPFEDSA-N 1 0 318.465 2.282 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000840962261 650395457 /nfs/dbraw/zinc/39/54/57/650395457.db2.gz JWDZDLYUXVVTFW-SJLPKXTDSA-N 1 0 306.450 2.410 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000895722066 638166928 /nfs/dbraw/zinc/16/69/28/638166928.db2.gz RCHARZVONHZHTN-HNNXBMFYSA-N 1 0 321.417 2.154 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840975979 650398673 /nfs/dbraw/zinc/39/86/73/650398673.db2.gz BZINCAOWEGOBEO-OAHLLOKOSA-N 1 0 322.474 2.399 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1 ZINC000895822570 638217622 /nfs/dbraw/zinc/21/76/22/638217622.db2.gz OQNHUQOAFFEAAZ-RASHJEQFSA-N 1 0 321.417 2.463 20 10 DECDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000744449651 638222024 /nfs/dbraw/zinc/22/20/24/638222024.db2.gz ACMSYPVSUZAETK-UHFFFAOYSA-N 1 0 309.362 2.332 20 10 DECDRO Cc1nc2ccccn2c1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044597 650412755 /nfs/dbraw/zinc/41/27/55/650412755.db2.gz WQHKVJAYYIPYTE-KRWDZBQOSA-N 1 0 323.444 2.498 20 10 DECDRO COCc1cnc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841045117 650413757 /nfs/dbraw/zinc/41/37/57/650413757.db2.gz IBNXXYGDCDJOBO-OAHLLOKOSA-N 1 0 320.462 2.145 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN[C@H]3C)CC2)cc1 ZINC000841063136 650418582 /nfs/dbraw/zinc/41/85/82/650418582.db2.gz ILTPUYXBORIGQY-KBXCAEBGSA-N 1 0 303.450 2.394 20 10 DECDRO CC[NH2+][C@H](C)CNCc1cc(Br)cc(OC)c1O ZINC000841065177 650419685 /nfs/dbraw/zinc/41/96/85/650419685.db2.gz GRRZHXJFZHASBY-SECBINFHSA-N 1 0 317.227 2.251 20 10 DECDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)COC(=O)N1 ZINC000896394544 638500385 /nfs/dbraw/zinc/50/03/85/638500385.db2.gz FKTARYKJSGSKOJ-LRDDRELGSA-N 1 0 308.353 2.242 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1 ZINC000896398818 638502974 /nfs/dbraw/zinc/50/29/74/638502974.db2.gz WVHGPRPEXJHNAK-WMLDXEAASA-N 1 0 304.390 2.411 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000748439456 638556087 /nfs/dbraw/zinc/55/60/87/638556087.db2.gz TVTKBHKCANVWLL-INIZCTEOSA-N 1 0 315.461 2.490 20 10 DECDRO COc1ccc(O)c(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000841103337 650431465 /nfs/dbraw/zinc/43/14/65/650431465.db2.gz GAJXOBOYSULVDL-DOTOQJQBSA-N 1 0 316.376 2.467 20 10 DECDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000748570201 638573072 /nfs/dbraw/zinc/57/30/72/638573072.db2.gz LNCDFSDULHWOBF-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000841107165 650433049 /nfs/dbraw/zinc/43/30/49/650433049.db2.gz XFVVFAUPFYQTGR-GOSISDBHSA-N 1 0 323.440 2.413 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729078 639335677 /nfs/dbraw/zinc/33/56/77/639335677.db2.gz DZGFDPLCGXFFEC-XJKSGUPXSA-N 1 0 310.463 2.371 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(C(N)=O)cc2)c1 ZINC000756478112 639665191 /nfs/dbraw/zinc/66/51/91/639665191.db2.gz FLRSKFFWSPMIHW-LBPRGKRZSA-N 1 0 314.385 2.393 20 10 DECDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756662167 639683619 /nfs/dbraw/zinc/68/36/19/639683619.db2.gz WWHWIWMNARZNMA-YUMQZZPRSA-N 1 0 301.184 2.069 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCOCC2)c2c1c(F)ccc2O ZINC000756735893 639691364 /nfs/dbraw/zinc/69/13/64/639691364.db2.gz CQDYMMROQLRGNQ-DGFSRKRXSA-N 1 0 309.381 2.457 20 10 DECDRO COc1ccc(O)c(CNC(=O)c2sccc2C[NH+](C)C)c1 ZINC000756764473 639693240 /nfs/dbraw/zinc/69/32/40/639693240.db2.gz IFZYIDUAYBLLNR-UHFFFAOYSA-N 1 0 320.414 2.454 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000841651755 650529323 /nfs/dbraw/zinc/52/93/23/650529323.db2.gz AFMXBQKYRHJWAL-HNNXBMFYSA-N 1 0 304.438 2.023 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000757658647 639865608 /nfs/dbraw/zinc/86/56/08/639865608.db2.gz YXAAWKCUAOPDSA-AAEUAGOBSA-N 1 0 313.419 2.019 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000757694817 639870774 /nfs/dbraw/zinc/87/07/74/639870774.db2.gz YJARFFSPLAQJJJ-UHFFFAOYSA-N 1 0 317.410 2.320 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1O ZINC000757926510 639896274 /nfs/dbraw/zinc/89/62/74/639896274.db2.gz MDAKIMODYXSDAA-CQSZACIVSA-N 1 0 301.770 2.103 20 10 DECDRO Oc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000758557449 639972596 /nfs/dbraw/zinc/97/25/96/639972596.db2.gz AZFZDISIQLQBIU-QGZVFWFLSA-N 1 0 324.424 2.486 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000841718578 650550560 /nfs/dbraw/zinc/55/05/60/650550560.db2.gz VEHDMRNVJCKNIA-UHFFFAOYSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000841718849 650550587 /nfs/dbraw/zinc/55/05/87/650550587.db2.gz CUJHGGKFODLCNQ-INIZCTEOSA-N 1 0 318.465 2.474 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000841720330 650551258 /nfs/dbraw/zinc/55/12/58/650551258.db2.gz VPFKZICCOAGHIP-HNNXBMFYSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709361 650547021 /nfs/dbraw/zinc/54/70/21/650547021.db2.gz DUCNRTDPECITKK-GOEBONIOSA-N 1 0 316.449 2.166 20 10 DECDRO CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000841762337 650558983 /nfs/dbraw/zinc/55/89/83/650558983.db2.gz WFYRCMQOKFCGES-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000760819615 640231877 /nfs/dbraw/zinc/23/18/77/640231877.db2.gz YJJDHXNIIDIMTJ-ZBTGYSDGSA-N 1 0 323.396 2.451 20 10 DECDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793465 650565352 /nfs/dbraw/zinc/56/53/52/650565352.db2.gz LCIGYLXRAOWNQA-HNNXBMFYSA-N 1 0 318.465 2.459 20 10 DECDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000761228982 640288808 /nfs/dbraw/zinc/28/88/08/640288808.db2.gz QARZVYNGUBNWCS-NSHDSACASA-N 1 0 309.797 2.082 20 10 DECDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CC[NH2+]C1 ZINC000841823701 650571097 /nfs/dbraw/zinc/57/10/97/650571097.db2.gz GXLZDOCXHKFULF-KRWDZBQOSA-N 1 0 318.465 2.345 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841826789 650573272 /nfs/dbraw/zinc/57/32/72/650573272.db2.gz IZBSDWKNHOCZAO-CVEARBPZSA-N 1 0 316.449 2.097 20 10 DECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)C[NH2+]1 ZINC000841856595 650581414 /nfs/dbraw/zinc/58/14/14/650581414.db2.gz JZCVEAUGSSLKBE-GHMZBOCLSA-N 1 0 314.480 2.017 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000841855538 650581703 /nfs/dbraw/zinc/58/17/03/650581703.db2.gz ASQGWKAXVAUOBF-LLVKDONJSA-N 1 0 314.480 2.019 20 10 DECDRO CN(C)c1ccc([C@H](CNc2ncc(F)cn2)[NH+](C)C)cc1 ZINC000897522302 640538446 /nfs/dbraw/zinc/53/84/46/640538446.db2.gz LLAOQWMUFZWBTL-HNNXBMFYSA-N 1 0 303.385 2.397 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880521 650591183 /nfs/dbraw/zinc/59/11/83/650591183.db2.gz BUFXPILEUIRISU-GUTXKFCHSA-N 1 0 304.438 2.240 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841880579 650591284 /nfs/dbraw/zinc/59/12/84/650591284.db2.gz DCYFURMTRBDYJB-HIFRSBDPSA-N 1 0 304.438 2.207 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841947495 650608791 /nfs/dbraw/zinc/60/87/91/650608791.db2.gz PHVUZZQIASYVJM-MRXNPFEDSA-N 1 0 304.438 2.021 20 10 DECDRO Cc1ccc2nc(C[NH2+]Cc3cc4c(cc3O)OCO4)cn2c1 ZINC000729680820 640824839 /nfs/dbraw/zinc/82/48/39/640824839.db2.gz AKQCHMMGRKATKU-UHFFFAOYSA-N 1 0 311.341 2.367 20 10 DECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1ccc(N)cc1 ZINC000841955308 650611129 /nfs/dbraw/zinc/61/11/29/650611129.db2.gz 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DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)CC1 ZINC000850406751 651922971 /nfs/dbraw/zinc/92/29/71/651922971.db2.gz SAEIILKERYXOIR-INIZCTEOSA-N 1 0 304.434 2.164 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3ccncc3F)cc2)CC1 ZINC000850406299 651923100 /nfs/dbraw/zinc/92/31/00/651923100.db2.gz APOSWZPYJILFLJ-UHFFFAOYSA-N 1 0 315.392 2.472 20 10 DECDRO C[C@@H](O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850420940 651925610 /nfs/dbraw/zinc/92/56/10/651925610.db2.gz UQQYSCOCKBPANU-DIFFPNOSSA-N 1 0 301.342 2.333 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1O ZINC000850481563 651936806 /nfs/dbraw/zinc/93/68/06/651936806.db2.gz LPQWJRHAQQIIGA-QWRGUYRKSA-N 1 0 302.296 2.340 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cn3cccn3)C2)cc1 ZINC000850488592 651937592 /nfs/dbraw/zinc/93/75/92/651937592.db2.gz NNRDGDUGNPKIHU-HUUCEWRRSA-N 1 0 300.406 2.149 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cn3cccn3)C2)cc1 ZINC000850488591 651937647 /nfs/dbraw/zinc/93/76/47/651937647.db2.gz NNRDGDUGNPKIHU-GJZGRUSLSA-N 1 0 300.406 2.149 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH3+])CCCC2)c1 ZINC000851671233 652204094 /nfs/dbraw/zinc/20/40/94/652204094.db2.gz JEUHGKYOLQBOQN-LLVKDONJSA-N 1 0 307.394 2.033 20 10 DECDRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000851840876 652256093 /nfs/dbraw/zinc/25/60/93/652256093.db2.gz KMWCWLOQWLVMOB-AWEZNQCLSA-N 1 0 317.322 2.409 20 10 DECDRO C[C@@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000851950361 652290890 /nfs/dbraw/zinc/29/08/90/652290890.db2.gz NXYLGQOPOWUFOK-CYBMUJFWSA-N 1 0 316.453 2.387 20 10 DECDRO FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@H]1C[NH2+]CCO1 ZINC000852745652 652447996 /nfs/dbraw/zinc/44/79/96/652447996.db2.gz ZCBLDLZTIFBYJF-CYBMUJFWSA-N 1 0 316.323 2.326 20 10 DECDRO CC(=O)Nc1cccc2c1CCCN2C(=O)C=C1CC[NH2+]CC1 ZINC000852821069 652464083 /nfs/dbraw/zinc/46/40/83/652464083.db2.gz YEBZRGPANYIKDZ-UHFFFAOYSA-N 1 0 313.401 2.234 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000852869373 652473132 /nfs/dbraw/zinc/47/31/32/652473132.db2.gz DODXBJSZIHOSSC-HUUCEWRRSA-N 1 0 316.380 2.000 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]2N1 ZINC000853558194 652567783 /nfs/dbraw/zinc/56/77/83/652567783.db2.gz OUTUYBMKUNMGTI-NVXWUHKLSA-N 1 0 314.429 2.372 20 10 DECDRO [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230203 652661950 /nfs/dbraw/zinc/66/19/50/652661950.db2.gz JKSZIFWPJMNDNM-RTBURBONSA-N 1 0 317.477 2.397 20 10 DECDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000388353106 685427628 /nfs/dbraw/zinc/42/76/28/685427628.db2.gz PHHINOCFXVNCQQ-KDOFPFPSSA-N 1 0 304.434 2.426 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnc3ccccn32)c1 ZINC000390435589 685440138 /nfs/dbraw/zinc/44/01/38/685440138.db2.gz UTUIDKPTAPDTTD-GFCCVEGCSA-N 1 0 312.373 2.337 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000858494583 685550995 /nfs/dbraw/zinc/55/09/95/685550995.db2.gz LCFJWEGGHIFGTI-NQMVMOMDSA-N 1 0 313.195 2.069 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858545221 685555808 /nfs/dbraw/zinc/55/58/08/685555808.db2.gz KOWMVIAMTYIFSR-NFAWXSAZSA-N 1 0 308.397 2.084 20 10 DECDRO O=C(C[NH2+]Cc1cc(Cl)ccc1O)NCc1ccccc1 ZINC000037908595 683884331 /nfs/dbraw/zinc/88/43/31/683884331.db2.gz DKKJFVLNRJIZSF-UHFFFAOYSA-N 1 0 304.777 2.452 20 10 DECDRO COC(=O)CC[N@@H+](Cc1cc(C)ccc1O)C[C@H]1CCCO1 ZINC000093460795 684049324 /nfs/dbraw/zinc/04/93/24/684049324.db2.gz RABCDSLFJHXMCB-OAHLLOKOSA-N 1 0 307.390 2.245 20 10 DECDRO COc1ccc(N2CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cc1 ZINC000119051983 684076516 /nfs/dbraw/zinc/07/65/16/684076516.db2.gz PXGMLVPIQSFZDL-MRXNPFEDSA-N 1 0 319.449 2.154 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130026530 684184381 /nfs/dbraw/zinc/18/43/81/684184381.db2.gz JJUQYHHUENPWKW-OAHLLOKOSA-N 1 0 318.465 2.154 20 10 DECDRO C[C@H]1CCC[C@@](CNC(=O)c2cccc(O)c2O)([NH+](C)C)C1 ZINC000192989220 684461891 /nfs/dbraw/zinc/46/18/91/684461891.db2.gz LXAVDTMTWKSGDY-YVEFUNNKSA-N 1 0 306.406 2.338 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(OC)C2=O)cc1 ZINC000929185176 693913131 /nfs/dbraw/zinc/91/31/31/693913131.db2.gz PBDQGGLSPZJGAZ-INIZCTEOSA-N 1 0 305.422 2.127 20 10 DECDRO CCOCCOCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929315011 693934986 /nfs/dbraw/zinc/93/49/86/693934986.db2.gz HRJNJAXXMRTZAE-UHFFFAOYSA-N 1 0 322.449 2.260 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CSC)C[C@@H]2C)cc1C ZINC001054365771 693950445 /nfs/dbraw/zinc/95/04/45/693950445.db2.gz LGSDTCKWRKLWMV-DZGCQCFKSA-N 1 0 322.474 2.303 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862028363 686226170 /nfs/dbraw/zinc/22/61/70/686226170.db2.gz WQYWRCZCKBYREO-HNNXBMFYSA-N 1 0 313.401 2.431 20 10 DECDRO CCOC(=O)c1cccc(C[NH2+]Cc2cc(OC)ccc2O)n1 ZINC000862279476 686272873 /nfs/dbraw/zinc/27/28/73/686272873.db2.gz SPYIGNMNLCAIJV-UHFFFAOYSA-N 1 0 316.357 2.262 20 10 DECDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862310603 686276393 /nfs/dbraw/zinc/27/63/93/686276393.db2.gz ZRKWMKFNQQAHMB-VHSXEESVSA-N 1 0 300.196 2.357 20 10 DECDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1O ZINC000862332183 686277424 /nfs/dbraw/zinc/27/74/24/686277424.db2.gz GFIXLNKXONCKIR-JOYOIKCWSA-N 1 0 300.196 2.357 20 10 DECDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1O ZINC000862332182 686277758 /nfs/dbraw/zinc/27/77/58/686277758.db2.gz GFIXLNKXONCKIR-CABZTGNLSA-N 1 0 300.196 2.357 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862475622 686307281 /nfs/dbraw/zinc/30/72/81/686307281.db2.gz QTQAQRXRXMNXGC-GOSISDBHSA-N 1 0 315.369 2.309 20 10 DECDRO COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646534 686539382 /nfs/dbraw/zinc/53/93/82/686539382.db2.gz LZGBDOHJURQUDS-PWSUYJOCSA-N 1 0 318.339 2.360 20 10 DECDRO Cc1nnc(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000929971109 694060925 /nfs/dbraw/zinc/06/09/25/694060925.db2.gz MAJYNUFPQKFVLE-HNNXBMFYSA-N 1 0 317.389 2.307 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000865053676 686926743 /nfs/dbraw/zinc/92/67/43/686926743.db2.gz MFYOVPXBCJHZRX-DLBZAZTESA-N 1 0 315.461 2.416 20 10 DECDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1c(O)cccc1Cl ZINC000865684146 687301088 /nfs/dbraw/zinc/30/10/88/687301088.db2.gz ONAYATJNRUKMEN-UHFFFAOYSA-N 1 0 315.797 2.494 20 10 DECDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccccc1O ZINC000865716275 687311363 /nfs/dbraw/zinc/31/13/63/687311363.db2.gz PHFKWUGTQBNHFR-SFHVURJKSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2O ZINC000866496759 687591906 /nfs/dbraw/zinc/59/19/06/687591906.db2.gz WYTMQFNTMFPASX-ZWNOBZJWSA-N 1 0 314.364 2.348 20 10 DECDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866497330 687592038 /nfs/dbraw/zinc/59/20/38/687592038.db2.gz FJYXMHDNCBAVNZ-ZTFGCOKTSA-N 1 0 304.434 2.477 20 10 DECDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930626993 694205433 /nfs/dbraw/zinc/20/54/33/694205433.db2.gz OYAVUUZZLWBSNV-UHFFFAOYSA-N 1 0 302.418 2.324 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870856086 688668272 /nfs/dbraw/zinc/66/82/72/688668272.db2.gz QVCDATHTMPYAKU-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO CC(C)[NH+]1CCC(CCNC(=O)c2cccc(O)c2O)CC1 ZINC000870954920 688694236 /nfs/dbraw/zinc/69/42/36/688694236.db2.gz PWHMUHAFFIQXIF-UHFFFAOYSA-N 1 0 306.406 2.338 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000871763490 688862204 /nfs/dbraw/zinc/86/22/04/688862204.db2.gz JAZKESOMELSURJ-DLBZAZTESA-N 1 0 316.449 2.131 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)C(C)C)cc1Cn1cccn1 ZINC000873052141 689149166 /nfs/dbraw/zinc/14/91/66/689149166.db2.gz MPHZLIKIHKVKPQ-INIZCTEOSA-N 1 0 303.406 2.047 20 10 DECDRO O=S1(=O)CCC[C@@H]([NH2+]CCCSc2nccs2)CC1 ZINC000873054870 689149637 /nfs/dbraw/zinc/14/96/37/689149637.db2.gz ZFFBRVPSZNFZSM-LLVKDONJSA-N 1 0 320.505 2.182 20 10 DECDRO COc1ccc(C[NH2+][C@H](CCO)C(C)C)cc1Cn1cccn1 ZINC000873063043 689151415 /nfs/dbraw/zinc/15/14/15/689151415.db2.gz HUOIZHGZCAHBKA-QGZVFWFLSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+]CC2(CO)CCC2)cc1Cn1cccn1 ZINC000873105376 689159371 /nfs/dbraw/zinc/15/93/71/689159371.db2.gz UOGJBTMNBDTRKK-UHFFFAOYSA-N 1 0 315.417 2.192 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1Cn1cccn1 ZINC000873127334 689165324 /nfs/dbraw/zinc/16/53/24/689165324.db2.gz OTMJKNPQNLIIML-QGZVFWFLSA-N 1 0 317.433 2.294 20 10 DECDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000874002248 689339722 /nfs/dbraw/zinc/33/97/22/689339722.db2.gz XKCPAIHJTRGCKF-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C[N@@H+]1C1CC1 ZINC000875359247 689612776 /nfs/dbraw/zinc/61/27/76/689612776.db2.gz NNKHLADVILANOJ-YPMHNXCESA-N 1 0 301.390 2.043 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ocnc2C2CC2)cc1 ZINC000876505732 689841805 /nfs/dbraw/zinc/84/18/05/689841805.db2.gz AUPHRAJRORVUCO-AWEZNQCLSA-N 1 0 314.389 2.048 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000876567554 689859521 /nfs/dbraw/zinc/85/95/21/689859521.db2.gz AITLFENHYZAAND-MRXNPFEDSA-N 1 0 304.434 2.387 20 10 DECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876632138 689882914 /nfs/dbraw/zinc/88/29/14/689882914.db2.gz HOEHKWYUXSETPH-HOCLYGCPSA-N 1 0 320.433 2.064 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876678685 689898939 /nfs/dbraw/zinc/89/89/39/689898939.db2.gz JFMWFLIIUYFOMK-GOSISDBHSA-N 1 0 317.477 2.174 20 10 DECDRO C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2O1 ZINC000876681849 689900311 /nfs/dbraw/zinc/90/03/11/689900311.db2.gz AWJKYAUELAWSAA-GPEUJJIWSA-N 1 0 304.365 2.495 20 10 DECDRO CN1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)C1 ZINC000876745243 689925523 /nfs/dbraw/zinc/92/55/23/689925523.db2.gz BKOKOYLPAWQDQK-UHFFFAOYSA-N 1 0 317.477 2.174 20 10 DECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000876809743 689943706 /nfs/dbraw/zinc/94/37/06/689943706.db2.gz IVLAQQQGFQAYMX-PBHICJAKSA-N 1 0 315.417 2.380 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH2+]CC1CC1 ZINC000876873589 689960538 /nfs/dbraw/zinc/96/05/38/689960538.db2.gz KTTZGJMYKRBXJF-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cn2)c(O)c1 ZINC000876954303 689981836 /nfs/dbraw/zinc/98/18/36/689981836.db2.gz GARLJQZGNZKARU-UHFFFAOYSA-N 1 0 312.417 2.460 20 10 DECDRO CN(C(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccc(N)cc1 ZINC000877074972 690013488 /nfs/dbraw/zinc/01/34/88/690013488.db2.gz WTAFGVBTLJSMFT-UHFFFAOYSA-N 1 0 300.362 2.000 20 10 DECDRO CC(C)(O)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877427953 690109102 /nfs/dbraw/zinc/10/91/02/690109102.db2.gz FALCIOALBZIJLE-UHFFFAOYSA-N 1 0 318.461 2.383 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(O)c1 ZINC000877500818 690132570 /nfs/dbraw/zinc/13/25/70/690132570.db2.gz DEKJADXYPILPTE-INIZCTEOSA-N 1 0 304.434 2.245 20 10 DECDRO COCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877507219 690135380 /nfs/dbraw/zinc/13/53/80/690135380.db2.gz AYUGYABCLYJTQO-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000877571017 690155396 /nfs/dbraw/zinc/15/53/96/690155396.db2.gz QHRDTSDQMWBQFA-SUMWQHHRSA-N 1 0 301.390 2.444 20 10 DECDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877594790 690161786 /nfs/dbraw/zinc/16/17/86/690161786.db2.gz KHUCPEBXSTWTST-RDJZCZTQSA-N 1 0 318.461 2.098 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[C@H]1O ZINC000877628143 690172403 /nfs/dbraw/zinc/17/24/03/690172403.db2.gz CWHPXTMLDZTXEO-QWHZDKJVSA-N 1 0 318.461 2.096 20 10 DECDRO OC1CCC(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877636333 690174712 /nfs/dbraw/zinc/17/47/12/690174712.db2.gz UDWXXERODNGUDO-UHFFFAOYSA-N 1 0 318.461 2.288 20 10 DECDRO COCC1(C2CC2)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877686754 690191082 /nfs/dbraw/zinc/19/10/82/690191082.db2.gz WFWQGNGGSAAMKX-UHFFFAOYSA-N 1 0 307.390 2.268 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=O)OC)cc1 ZINC000877726459 690206185 /nfs/dbraw/zinc/20/61/85/690206185.db2.gz AVWPYMWMEMFXBC-RDJZCZTQSA-N 1 0 320.433 2.201 20 10 DECDRO OC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1CO ZINC000877765079 690218661 /nfs/dbraw/zinc/21/86/61/690218661.db2.gz XGZJNRIKQIVNPD-HDICACEKSA-N 1 0 313.397 2.092 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1OC ZINC000877804758 690236555 /nfs/dbraw/zinc/23/65/55/690236555.db2.gz CMZWHBCWUFHLEZ-CORIIIEPSA-N 1 0 307.390 2.457 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CC2(CO)CCCC2)c1 ZINC000878360845 690387969 /nfs/dbraw/zinc/38/79/69/690387969.db2.gz UKZDAKKVEVTFAY-ZIAGYGMSSA-N 1 0 323.433 2.355 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccn2)c1 ZINC000878360309 690388090 /nfs/dbraw/zinc/38/80/90/690388090.db2.gz KCEJYOXQFOYRAM-LLVKDONJSA-N 1 0 301.346 2.085 20 10 DECDRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1O ZINC000878808388 690504477 /nfs/dbraw/zinc/50/44/77/690504477.db2.gz STMKEFUMXFFWNO-LBPRGKRZSA-N 1 0 317.393 2.033 20 10 DECDRO CCN(C)c1ccc(CN2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878865035 690516561 /nfs/dbraw/zinc/51/65/61/690516561.db2.gz DFKTVIGDJNLBJQ-SFHVURJKSA-N 1 0 305.466 2.031 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)ccc1N(C)C ZINC000878944826 690534066 /nfs/dbraw/zinc/53/40/66/690534066.db2.gz BKAVOWWZFLFSJA-AWEZNQCLSA-N 1 0 315.421 2.406 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1O ZINC000879652002 690699389 /nfs/dbraw/zinc/69/93/89/690699389.db2.gz SUBDYBJFBZZOED-NSHDSACASA-N 1 0 324.402 2.086 20 10 DECDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881851051 691173648 /nfs/dbraw/zinc/17/36/48/691173648.db2.gz NUPCKUZUQHAQIO-CQSZACIVSA-N 1 0 301.434 2.101 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CC(F)(F)C3)cc2)CC1 ZINC000881850825 691173939 /nfs/dbraw/zinc/17/39/39/691173939.db2.gz HJSVERNXJWBQKT-UHFFFAOYSA-N 1 0 323.387 2.100 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883275859 691470339 /nfs/dbraw/zinc/47/03/39/691470339.db2.gz BQPMIHNJDSZQSF-JSGCOSHPSA-N 1 0 305.374 2.496 20 10 DECDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283671 691471686 /nfs/dbraw/zinc/47/16/86/691471686.db2.gz NYFQMTAFFQDZIJ-INIZCTEOSA-N 1 0 305.466 2.342 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883378403 691493645 /nfs/dbraw/zinc/49/36/45/691493645.db2.gz KZAKVIKTPLJZFO-KOMQPUFPSA-N 1 0 310.463 2.198 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000883517328 691529797 /nfs/dbraw/zinc/52/97/97/691529797.db2.gz UZANYDPWPNZXBQ-LLVKDONJSA-N 1 0 314.480 2.019 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1F ZINC000886220777 692028126 /nfs/dbraw/zinc/02/81/26/692028126.db2.gz MSNWAYWCDSBQHJ-CHWSQXEVSA-N 1 0 314.376 2.050 20 10 DECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886595063 692123553 /nfs/dbraw/zinc/12/35/53/692123553.db2.gz ZVXWCICMPBUSMH-ZIAGYGMSSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1 ZINC000932019968 694528580 /nfs/dbraw/zinc/52/85/80/694528580.db2.gz KUWYQQZLOGAJNE-MAUKXSAKSA-N 1 0 317.433 2.463 20 10 DECDRO CCNC(=O)C1(C[NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894556629 692985854 /nfs/dbraw/zinc/98/58/54/692985854.db2.gz ZUDMGGNHRUPZJJ-UHFFFAOYSA-N 1 0 306.406 2.105 20 10 DECDRO C[NH+](C)Cc1ccnc(NC(=O)NCc2c(O)cccc2F)c1 ZINC000932166852 694565925 /nfs/dbraw/zinc/56/59/25/694565925.db2.gz BUMJGUHYKUWOBD-UHFFFAOYSA-N 1 0 318.352 2.310 20 10 DECDRO [NH3+]Cc1nc2c(s1)CCN([C@@H]1CCc3cccc(O)c31)C2 ZINC000925749155 693335239 /nfs/dbraw/zinc/33/52/39/693335239.db2.gz HLDOMQJXGNFHKQ-GFCCVEGCSA-N 1 0 301.415 2.353 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CN4C[C@@H]3CCC4)C2)cc1 ZINC000926611491 693478308 /nfs/dbraw/zinc/47/83/08/693478308.db2.gz LUHAVHNOCNOUDO-BXWFABGCSA-N 1 0 315.461 2.205 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001331931700 1149781631 /nfs/dbraw/zinc/78/16/31/1149781631.db2.gz ANAKFXSUXMLPLY-CYDGBPFRSA-N 1 0 309.431 2.414 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)c(O)c1OC ZINC001334172704 1150218149 /nfs/dbraw/zinc/21/81/49/1150218149.db2.gz QIUVWDZVXDNOSN-JTQLQIEISA-N 1 0 309.284 2.076 20 10 DECDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001335060525 1150371587 /nfs/dbraw/zinc/37/15/87/1150371587.db2.gz ATFDIDDJUSUNAI-AWEZNQCLSA-N 1 0 308.422 2.373 20 10 DECDRO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343336060 1150736083 /nfs/dbraw/zinc/73/60/83/1150736083.db2.gz ZTIRIMMEQXQFAZ-SFHVURJKSA-N 1 0 315.465 2.485 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC001348475549 1151161622 /nfs/dbraw/zinc/16/16/22/1151161622.db2.gz GHZPRKHMQFPRTK-CQSZACIVSA-N 1 0 305.466 2.496 20 10 DECDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC001355301367 1152001102 /nfs/dbraw/zinc/00/11/02/1152001102.db2.gz GVGZBNDJRHDRES-INIZCTEOSA-N 1 0 302.418 2.482 20 10 DECDRO O=C(C1=CCC[NH2+]CC1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC001357603140 1152317568 /nfs/dbraw/zinc/31/75/68/1152317568.db2.gz RZUJJUGMRDMSQS-UHFFFAOYSA-N 1 0 315.392 2.451 20 10 DECDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001441826895 1182191998 /nfs/dbraw/zinc/19/19/98/1182191998.db2.gz XXTGUCDWUJSZLK-UHFFFAOYSA-N 1 0 306.406 2.019 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001446515393 1184385638 /nfs/dbraw/zinc/38/56/38/1184385638.db2.gz ITJQEGTUVSFDOH-OAHLLOKOSA-N 1 0 320.433 2.125 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001332662833 1149877358 /nfs/dbraw/zinc/87/73/58/1149877358.db2.gz YESBMCWKVZXGIJ-AWEZNQCLSA-N 1 0 303.406 2.292 20 10 DECDRO O=C1Cc2cc(N3CC4(CC[NH2+]CC4)c4ccccc43)ncc2N1 ZINC001167069976 776593900 /nfs/dbraw/zinc/59/39/00/776593900.db2.gz FJNDNKZMNSJYGK-UHFFFAOYSA-N 1 0 320.396 2.349 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cccc4ncnn43)cc2)CC1 ZINC001167434469 777034571 /nfs/dbraw/zinc/03/45/71/777034571.db2.gz LNSWEGHNRPFSID-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO CCOC1CC(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001126642226 780274437 /nfs/dbraw/zinc/27/44/37/780274437.db2.gz UOFXLBLXHQVDQC-UHFFFAOYSA-N 1 0 320.433 2.025 20 10 DECDRO Cc1cccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144500582 790934855 /nfs/dbraw/zinc/93/48/55/790934855.db2.gz VMAOHMKIAUFWLY-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccncc3)CC2)c(O)c1 ZINC001144504307 790935507 /nfs/dbraw/zinc/93/55/07/790935507.db2.gz OXPVQPDMMYHHAL-UHFFFAOYSA-N 1 0 316.357 2.242 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001333680715 1150078720 /nfs/dbraw/zinc/07/87/20/1150078720.db2.gz ASBNNYZUXNWCRT-QWHCGFSZSA-N 1 0 323.824 2.472 20 10 DECDRO Cc1cc(C)c(C[NH2+]C2CCC(S(C)(=O)=O)CC2)c(O)c1 ZINC001169866162 785402868 /nfs/dbraw/zinc/40/28/68/785402868.db2.gz XHDDYRNUGDTDLO-UHFFFAOYSA-N 1 0 311.447 2.454 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671187 785502394 /nfs/dbraw/zinc/50/23/94/785502394.db2.gz IBUFLKOEEUCUMR-AWEZNQCLSA-N 1 0 317.393 2.452 20 10 DECDRO CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873444 789123893 /nfs/dbraw/zinc/12/38/93/789123893.db2.gz XLMBRMRRWOOBFW-STQMWFEESA-N 1 0 323.437 2.385 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173365467 793705306 /nfs/dbraw/zinc/70/53/06/793705306.db2.gz IMYLENAOEXZLBP-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)cc1OC ZINC001116487683 794958747 /nfs/dbraw/zinc/95/87/47/794958747.db2.gz IUANCVAKFPOBBD-KBPBESRZSA-N 1 0 308.422 2.372 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001180126464 795245250 /nfs/dbraw/zinc/24/52/50/795245250.db2.gz TVBIZGLOPFNZSU-OYEJSCKISA-N 1 0 313.445 2.176 20 10 DECDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)c(O)c1 ZINC001180175397 795247005 /nfs/dbraw/zinc/24/70/05/795247005.db2.gz TVXYWTOJXSPHSK-UHFFFAOYSA-N 1 0 314.385 2.440 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Br ZINC001206444138 795426929 /nfs/dbraw/zinc/42/69/29/795426929.db2.gz DXVFEBACNONYEC-QWRGUYRKSA-N 1 0 317.202 2.334 20 10 DECDRO Nc1ccc(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC001120572626 795487660 /nfs/dbraw/zinc/48/76/60/795487660.db2.gz CAFZUFJIGIZVTQ-UHFFFAOYSA-N 1 0 316.449 2.190 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1OC ZINC001181775989 795537499 /nfs/dbraw/zinc/53/74/99/795537499.db2.gz JPOQYWVCJPPOQB-ZYHUDNBSSA-N 1 0 303.362 2.402 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001122025574 795718783 /nfs/dbraw/zinc/71/87/83/795718783.db2.gz ABCGZDWKKVBVNN-XDNAFOTISA-N 1 0 315.461 2.473 20 10 DECDRO COc1cc(CN2CC[N@H+](C)CC23CCCC3)cc(O)c1O ZINC001204351806 795725819 /nfs/dbraw/zinc/72/58/19/795725819.db2.gz WGIGEAUFTPOIBB-UHFFFAOYSA-N 1 0 306.406 2.167 20 10 DECDRO C[NH+](C)CCC[C@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001183085177 795797825 /nfs/dbraw/zinc/79/78/25/795797825.db2.gz WINOWAHUPWOGTB-ZDUSSCGKSA-N 1 0 314.376 2.213 20 10 DECDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203563249 795844937 /nfs/dbraw/zinc/84/49/37/795844937.db2.gz XCHWFFIHLPJLJC-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO COc1ccc(C[NH+]2CCC(O)(C(C)C)CC2)c(O)c1OC ZINC001184314340 796033045 /nfs/dbraw/zinc/03/30/45/796033045.db2.gz MISYEMAWPBMXJH-UHFFFAOYSA-N 1 0 309.406 2.392 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854273 796146577 /nfs/dbraw/zinc/14/65/77/796146577.db2.gz PGFSGDYLUULWEM-HKUYNNGSSA-N 1 0 314.429 2.269 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138220445 796184799 /nfs/dbraw/zinc/18/47/99/796184799.db2.gz DLQPRIPFVQEAII-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138220444 796185076 /nfs/dbraw/zinc/18/50/76/796185076.db2.gz DLQPRIPFVQEAII-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO Cc1c(CN2CC[NH+](CC(C)(C)O)CC2)c2ccccc2n1C ZINC001138260547 796189488 /nfs/dbraw/zinc/18/94/88/796189488.db2.gz JQVOCURDNGNXBB-UHFFFAOYSA-N 1 0 315.461 2.375 20 10 DECDRO OC[C@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138496942 796226851 /nfs/dbraw/zinc/22/68/51/796226851.db2.gz VBFWHEFAOSOTMM-SFHVURJKSA-N 1 0 322.424 2.210 20 10 DECDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499420 796227075 /nfs/dbraw/zinc/22/70/75/796227075.db2.gz ITJZJWINWQAHOQ-IBGZPJMESA-N 1 0 317.477 2.438 20 10 DECDRO COC(=O)[C@H](C(C)C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001138499485 796227666 /nfs/dbraw/zinc/22/76/66/796227666.db2.gz MIBMASVAZLLBAF-KRWDZBQOSA-N 1 0 320.433 2.153 20 10 DECDRO COc1cc(CN2CCO[C@@H](C(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139259620 796351156 /nfs/dbraw/zinc/35/11/56/796351156.db2.gz YXRGHJANFVEBIF-QGZVFWFLSA-N 1 0 322.449 2.319 20 10 DECDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054435 796470709 /nfs/dbraw/zinc/47/07/09/796470709.db2.gz QERFRRNOIKLJFE-AWEZNQCLSA-N 1 0 306.381 2.222 20 10 DECDRO CCN1CC2(CC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140060045 796472103 /nfs/dbraw/zinc/47/21/03/796472103.db2.gz IELLCGKTVVFHJG-UHFFFAOYSA-N 1 0 306.381 2.366 20 10 DECDRO COC[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2cn(C)nc21 ZINC001140179506 796486910 /nfs/dbraw/zinc/48/69/10/796486910.db2.gz FQLWVWRFYSFHBG-OAHLLOKOSA-N 1 0 315.417 2.488 20 10 DECDRO COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c(C)ccc(C)c1O ZINC001140180586 796487730 /nfs/dbraw/zinc/48/77/30/796487730.db2.gz ZFOLYIQBAOQOJE-UHFFFAOYSA-N 1 0 322.449 2.326 20 10 DECDRO O=C1OCCN1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464854 796526413 /nfs/dbraw/zinc/52/64/13/796526413.db2.gz CMWBRNQGQQYYLI-UHFFFAOYSA-N 1 0 310.781 2.462 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC001140620478 796546622 /nfs/dbraw/zinc/54/66/22/796546622.db2.gz PSTPCKOSHCCDQJ-AWEZNQCLSA-N 1 0 305.374 2.045 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1O ZINC001140742758 796566073 /nfs/dbraw/zinc/56/60/73/796566073.db2.gz XYWBLSQLEDGFML-UHFFFAOYSA-N 1 0 313.401 2.119 20 10 DECDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140744992 796566506 /nfs/dbraw/zinc/56/65/06/796566506.db2.gz RWVPLSFDUFRZMV-AEFFLSMTSA-N 1 0 321.417 2.424 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NC)CC2)c(O)c1 ZINC001140851997 796583990 /nfs/dbraw/zinc/58/39/90/796583990.db2.gz XWRYAALRAZBMJC-UHFFFAOYSA-N 1 0 319.449 2.196 20 10 DECDRO COc1cc(O)c(C[NH+]2CC(c3cccnc3)C2)c(OC)c1 ZINC001141029627 796621261 /nfs/dbraw/zinc/62/12/61/796621261.db2.gz YDFRFFGSVSESOY-UHFFFAOYSA-N 1 0 300.358 2.404 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@](C)(CO)CC3)ccc21 ZINC001141139732 796637966 /nfs/dbraw/zinc/63/79/66/796637966.db2.gz AIWFJSKCEZKESW-SFHVURJKSA-N 1 0 304.434 2.500 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@]1(C)O ZINC001141140114 796637997 /nfs/dbraw/zinc/63/79/97/796637997.db2.gz INPLREWRZSEFFH-KSSFIOAISA-N 1 0 304.434 2.498 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)ccc21 ZINC001141146316 796639753 /nfs/dbraw/zinc/63/97/53/796639753.db2.gz SATZIVNSKCDZNX-GJZGRUSLSA-N 1 0 300.402 2.316 20 10 DECDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141157862 796641867 /nfs/dbraw/zinc/64/18/67/796641867.db2.gz NTMKWKZDYBCOJD-LBPRGKRZSA-N 1 0 308.378 2.197 20 10 DECDRO COc1cc(C(=O)NC[C@H](C)CC(C)(C)CC[NH3+])cc(O)c1O ZINC001193119351 797506278 /nfs/dbraw/zinc/50/62/78/797506278.db2.gz HHKIIXWJCMYYCS-LLVKDONJSA-N 1 0 324.421 2.237 20 10 DECDRO COCCCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155041250 797667168 /nfs/dbraw/zinc/66/71/68/797667168.db2.gz YGNPZUROPWMLJZ-UHFFFAOYSA-N 1 0 308.422 2.026 20 10 DECDRO CC[C@@H](C)OC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001195138349 797841003 /nfs/dbraw/zinc/84/10/03/797841003.db2.gz RRDBPPLOJHMQHK-CQSZACIVSA-N 1 0 305.422 2.463 20 10 DECDRO CCOC(=O)[C@]1(C)CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC001197114445 798150451 /nfs/dbraw/zinc/15/04/51/798150451.db2.gz HCQRQWBSDLHMAP-SFHVURJKSA-N 1 0 320.433 2.297 20 10 DECDRO Cc1cc(C(=O)NCc2ccccc2O)nn1-c1cc[nH+]cc1 ZINC001197543838 798204795 /nfs/dbraw/zinc/20/47/95/798204795.db2.gz QMBSENVJZKMVGN-UHFFFAOYSA-N 1 0 308.341 2.211 20 10 DECDRO C[NH+](C)CCOc1cccc(N(CCO)c2ccc(N)cc2)c1 ZINC001212807052 799391810 /nfs/dbraw/zinc/39/18/10/799391810.db2.gz IHEKPVYTVKKDFL-UHFFFAOYSA-N 1 0 315.417 2.340 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560840 800080117 /nfs/dbraw/zinc/08/01/17/800080117.db2.gz HJDUVUSURBDXDM-ZIAGYGMSSA-N 1 0 304.390 2.443 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001203593538 800086751 /nfs/dbraw/zinc/08/67/51/800086751.db2.gz NHFRUXHPJYZYPN-ZMSDIMECSA-N 1 0 319.401 2.027 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)OC)CC2)c1O ZINC001203603969 800088245 /nfs/dbraw/zinc/08/82/45/800088245.db2.gz YAQUOTICDSOIBL-UHFFFAOYSA-N 1 0 308.378 2.065 20 10 DECDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203932996 800148181 /nfs/dbraw/zinc/14/81/81/800148181.db2.gz FQLJCEZFQZDGOL-QGZVFWFLSA-N 1 0 315.461 2.443 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001203937200 800148857 /nfs/dbraw/zinc/14/88/57/800148857.db2.gz RHEAOLIOOVCLEN-RDJZCZTQSA-N 1 0 301.434 2.195 20 10 DECDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC001204038632 800162622 /nfs/dbraw/zinc/16/26/22/800162622.db2.gz NUDGBFQIOYQPRR-CQSZACIVSA-N 1 0 309.797 2.219 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c2ccccc21 ZINC001204232340 800191389 /nfs/dbraw/zinc/19/13/89/800191389.db2.gz ARSDPOJOFOINTA-DNVCBOLYSA-N 1 0 314.429 2.081 20 10 DECDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(O)c1O ZINC001204346703 800207224 /nfs/dbraw/zinc/20/72/24/800207224.db2.gz WJVSOVGASZHAEE-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO CC(C)c1ccc(O)c(CN2CC[NH+](C(C)(C)CO)CC2)c1 ZINC001204648018 800243339 /nfs/dbraw/zinc/24/33/39/800243339.db2.gz MXQMGLZWPDFAGI-UHFFFAOYSA-N 1 0 306.450 2.404 20 10 DECDRO COc1cc(CN2CC[C@](C)([NH3+])C2)c(O)cc1Br ZINC001204801171 800258956 /nfs/dbraw/zinc/25/89/56/800258956.db2.gz KQJLIVWUPTXASX-ZDUSSCGKSA-N 1 0 315.211 2.086 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205101305 800296182 /nfs/dbraw/zinc/29/61/82/800296182.db2.gz CYPYVUXTZQOQIO-LBPRGKRZSA-N 1 0 302.374 2.120 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1N(C)C ZINC000934268191 800305486 /nfs/dbraw/zinc/30/54/86/800305486.db2.gz HWMKOWSXZFCHDK-RBUKOAKNSA-N 1 0 317.477 2.092 20 10 DECDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828626 800428398 /nfs/dbraw/zinc/42/83/98/800428398.db2.gz MAEHRHHUNBXREZ-YJBOKZPZSA-N 1 0 317.477 2.207 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)c(OC)c1 ZINC001206352228 800514608 /nfs/dbraw/zinc/51/46/08/800514608.db2.gz RMZXLGMPUYDZJG-INIZCTEOSA-N 1 0 312.385 2.062 20 10 DECDRO C[NH+](C)CCn1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001206367330 800518452 /nfs/dbraw/zinc/51/84/52/800518452.db2.gz COUFSTPVIFFPSF-UHFFFAOYSA-N 1 0 322.412 2.322 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCN(C)C3)C2)cc1 ZINC001206384127 800522328 /nfs/dbraw/zinc/52/23/28/800522328.db2.gz CDIWAQAWXJUFMZ-CVEARBPZSA-N 1 0 303.450 2.205 20 10 DECDRO COC[C@H]1C[N@H+](Cc2cccc(C)c2O)Cc2ncn(C)c21 ZINC001231592258 801692511 /nfs/dbraw/zinc/69/25/11/801692511.db2.gz LKTFXRMUYAFPHN-CQSZACIVSA-N 1 0 301.390 2.180 20 10 DECDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231637384 801701833 /nfs/dbraw/zinc/70/18/33/801701833.db2.gz LOXRXBFZTFTNNB-LBPRGKRZSA-N 1 0 323.389 2.272 20 10 DECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001231850309 801737062 /nfs/dbraw/zinc/73/70/62/801737062.db2.gz MUSFJGIZJPCNJY-GOEBONIOSA-N 1 0 302.418 2.452 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231849672 801737161 /nfs/dbraw/zinc/73/71/61/801737161.db2.gz WJRRVRPEIPFFBX-CQSZACIVSA-N 1 0 306.406 2.146 20 10 DECDRO Cc1cc(C)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001231850186 801737315 /nfs/dbraw/zinc/73/73/15/801737315.db2.gz LJFOVMULODGEGO-INIZCTEOSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCN(c3nccc(C)n3)CC2)c(O)c1 ZINC001231851091 801737653 /nfs/dbraw/zinc/73/76/53/801737653.db2.gz ZTCGQDILIBFCOG-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231871525 801742514 /nfs/dbraw/zinc/74/25/14/801742514.db2.gz MZPNHSCPMXRYSX-LBPRGKRZSA-N 1 0 311.813 2.247 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001231879936 801744302 /nfs/dbraw/zinc/74/43/02/801744302.db2.gz XMFIPFCHNBVYID-SJLPKXTDSA-N 1 0 301.386 2.111 20 10 DECDRO [O-]c1c(Cl)cccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001231913547 801750077 /nfs/dbraw/zinc/75/00/77/801750077.db2.gz MDUOJDOTRMYLAT-AWEZNQCLSA-N 1 0 310.825 2.342 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncc(O)c1 ZINC001232042900 801778960 /nfs/dbraw/zinc/77/89/60/801778960.db2.gz ZJLWOSZRFDRVEN-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200639 801814606 /nfs/dbraw/zinc/81/46/06/801814606.db2.gz VUPQPBYIOZVCAY-GJZGRUSLSA-N 1 0 321.852 2.065 20 10 DECDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)N1 ZINC001232260096 801831253 /nfs/dbraw/zinc/83/12/53/801831253.db2.gz OLJBPTUVDJAFDY-INIZCTEOSA-N 1 0 324.808 2.386 20 10 DECDRO CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263363 801833893 /nfs/dbraw/zinc/83/38/93/801833893.db2.gz NYORAKQKMSGSBM-LLVKDONJSA-N 1 0 312.797 2.242 20 10 DECDRO COC(=O)c1c(C[NH+]2CC(C3COC3)C2)c2ccccc2n1C ZINC001232403381 801870561 /nfs/dbraw/zinc/87/05/61/801870561.db2.gz XATXTBAVXWHMKN-UHFFFAOYSA-N 1 0 314.385 2.043 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@H](C(C)=O)C2)c2ccccc2n1C ZINC001232404108 801872268 /nfs/dbraw/zinc/87/22/68/801872268.db2.gz MGNULLMMFVZWOZ-ZDUSSCGKSA-N 1 0 314.385 2.376 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841990 801970707 /nfs/dbraw/zinc/97/07/07/801970707.db2.gz WCKBBIUILRWESD-ZDUSSCGKSA-N 1 0 306.406 2.233 20 10 DECDRO CN1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CCC1=O ZINC001233454069 802121472 /nfs/dbraw/zinc/12/14/72/802121472.db2.gz FUSZCWWYAUHKKK-UHFFFAOYSA-N 1 0 302.296 2.075 20 10 DECDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)c(O)cc1O ZINC001233486518 802127840 /nfs/dbraw/zinc/12/78/40/802127840.db2.gz PMOKBHXNJGKIHM-UHFFFAOYSA-N 1 0 303.314 2.164 20 10 DECDRO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768543 802204262 /nfs/dbraw/zinc/20/42/62/802204262.db2.gz TZFSZUXBBUMAKT-NSHDSACASA-N 1 0 318.295 2.001 20 10 DECDRO CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C1CN(C)C1 ZINC001233776765 802207703 /nfs/dbraw/zinc/20/77/03/802207703.db2.gz XTKWSZQQUHVWTG-UHFFFAOYSA-N 1 0 304.312 2.427 20 10 DECDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948248 802249998 /nfs/dbraw/zinc/24/99/98/802249998.db2.gz DPJMYYBIAAUFTO-CULMDFNYSA-N 1 0 315.373 2.150 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222360537 802673304 /nfs/dbraw/zinc/67/33/04/802673304.db2.gz RLOGNEUWGHDALH-IBGZPJMESA-N 1 0 317.477 2.487 20 10 DECDRO COc1ccc(CN2CC[NH+](C(C)(C)C)CC2)c(O)c1OC ZINC001334901743 1150353262 /nfs/dbraw/zinc/35/32/62/1150353262.db2.gz LCLJYLABXQCSNV-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CC(=O)[O-])cc2)CC1 ZINC001343647318 1150759727 /nfs/dbraw/zinc/75/97/27/1150759727.db2.gz AIHHZDTXAYRJOD-UHFFFAOYSA-N 1 0 319.449 2.029 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001346650166 1151011288 /nfs/dbraw/zinc/01/12/88/1151011288.db2.gz XGWSHHVTUIRGCD-OAHLLOKOSA-N 1 0 304.438 2.046 20 10 DECDRO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCF ZINC001328460099 1148798360 /nfs/dbraw/zinc/79/83/60/1148798360.db2.gz YAZQNIBNWXHSCP-NSHDSACASA-N 1 0 323.372 2.307 20 10 DECDRO CCO/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001603555407 1069985857 /nfs/dbraw/zinc/98/58/57/1069985857.db2.gz PWDBKKZUDZOOAY-PCUGXKRQSA-N 1 0 305.422 2.022 20 10 DECDRO CCO/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001603555409 1069986570 /nfs/dbraw/zinc/98/65/70/1069986570.db2.gz PWDBKKZUDZOOAY-YUQCYMQKSA-N 1 0 305.422 2.022 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(-c2nn[nH]n2)ccn1 ZINC001603668327 1070034682 /nfs/dbraw/zinc/03/46/82/1070034682.db2.gz UOPLABYXGVHNLP-LBPRGKRZSA-N 1 0 323.404 2.179 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001621330525 1071057141 /nfs/dbraw/zinc/05/71/41/1071057141.db2.gz MDFOBUYBEUZJEE-OCCSQVGLSA-N 1 0 301.814 2.293 20 10 DECDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461234247 1058617662 /nfs/dbraw/zinc/61/76/62/1058617662.db2.gz VIASUGQJLWZYBL-MRXNPFEDSA-N 1 0 323.456 2.074 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001464233979 1059096736 /nfs/dbraw/zinc/09/67/36/1059096736.db2.gz KMJUZKAMCLOEAV-ZIAGYGMSSA-N 1 0 315.377 2.206 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[N@@H+]3CC[C@H](F)C3)ccc21 ZINC001464522941 1059148296 /nfs/dbraw/zinc/14/82/96/1059148296.db2.gz XKQMLNOBRNPSEI-INIZCTEOSA-N 1 0 319.424 2.119 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cnc(N(C)C)nc2)cc1F ZINC001473966758 1060782729 /nfs/dbraw/zinc/78/27/29/1060782729.db2.gz WSQUDSVMEUZICZ-UHFFFAOYSA-N 1 0 303.385 2.038 20 10 DECDRO Cn1cc([C@H](CO)[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC001474099220 1060813807 /nfs/dbraw/zinc/81/38/07/1060813807.db2.gz HGBURZZTORLIQY-SFHVURJKSA-N 1 0 314.433 2.234 20 10 DECDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC001474093819 1060814025 /nfs/dbraw/zinc/81/40/25/1060814025.db2.gz DXHFXFNOTXWPBR-MLGOLLRUSA-N 1 0 323.433 2.185 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2c(C)nn(C)c2C)cc1C ZINC001474296891 1060845306 /nfs/dbraw/zinc/84/53/06/1060845306.db2.gz KRPPUGAHJQKOFJ-HNNXBMFYSA-N 1 0 303.406 2.177 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccnc2N)N(C)C)cc1 ZINC001474741925 1060930231 /nfs/dbraw/zinc/93/02/31/1060930231.db2.gz MJXQUCGLIKSPAB-KRWDZBQOSA-N 1 0 313.449 2.122 20 10 DECDRO CC[C@H](CNC(=O)c1cn[nH]c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494946927 1064602195 /nfs/dbraw/zinc/60/21/95/1064602195.db2.gz NKOVMGIRIMQURV-OAHLLOKOSA-N 1 0 316.405 2.025 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001568607606 1064984177 /nfs/dbraw/zinc/98/41/77/1064984177.db2.gz KSWADKPMFYWWGO-CYBMUJFWSA-N 1 0 316.405 2.025 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(Cl)cc1O ZINC001621236098 1078171442 /nfs/dbraw/zinc/17/14/42/1078171442.db2.gz WEGIGWGOXYGOPB-AWEZNQCLSA-N 1 0 301.770 2.103 20 10 DECDRO COc1cc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC001621467172 1078175584 /nfs/dbraw/zinc/17/55/84/1078175584.db2.gz LJYPWYMBKRWLHC-JSGCOSHPSA-N 1 0 319.401 2.303 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627776202 1078282921 /nfs/dbraw/zinc/28/29/21/1078282921.db2.gz NVAWNYWNLCTCNM-ZDUSSCGKSA-N 1 0 317.393 2.453 20 10 DECDRO COCC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001497853693 1066366057 /nfs/dbraw/zinc/36/60/57/1066366057.db2.gz OXHHZMKYRKUYIM-CQSZACIVSA-N 1 0 320.433 2.025 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001577697250 1066908271 /nfs/dbraw/zinc/90/82/71/1066908271.db2.gz FJJSPUDMZOMWRT-GASCZTMLSA-N 1 0 304.438 2.164 20 10 DECDRO COC(=O)c1ccc2c(c1)CCCCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001578875331 1067187674 /nfs/dbraw/zinc/18/76/74/1067187674.db2.gz ZJIHDPAMBPMWIG-OAHLLOKOSA-N 1 0 314.385 2.190 20 10 DECDRO COc1ccc(CN[C@@H](C[NH3+])CC(C)C)cc1Cn1cccn1 ZINC001579216107 1067261145 /nfs/dbraw/zinc/26/11/45/1067261145.db2.gz CJLKBKCTHPVJBI-QGZVFWFLSA-N 1 0 316.449 2.403 20 10 DECDRO Cc1cc(CCNC(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccccc1 ZINC001579592410 1067377083 /nfs/dbraw/zinc/37/70/83/1067377083.db2.gz AJFRDKSJNBJWEB-ZDUSSCGKSA-N 1 0 314.433 2.283 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC12C[NH2+]C2 ZINC001579589932 1067378296 /nfs/dbraw/zinc/37/82/96/1067378296.db2.gz RYGILUIJPISNMJ-UHFFFAOYSA-N 1 0 323.396 2.095 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001579616883 1067386876 /nfs/dbraw/zinc/38/68/76/1067386876.db2.gz IEXABYURTPILBU-FMKPAKJESA-N 1 0 318.465 2.029 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc[nH]2)cc1C ZINC001267346188 1078783010 /nfs/dbraw/zinc/78/30/10/1078783010.db2.gz XOIRNEJWRUZJCU-UHFFFAOYSA-N 1 0 301.390 2.194 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](CC)C[NH2+]1 ZINC001573719940 1069080816 /nfs/dbraw/zinc/08/08/16/1069080816.db2.gz QPNCDYIMVAYJMY-HZPDHXFCSA-N 1 0 318.465 2.425 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)c(O)c1 ZINC001520145100 1069102404 /nfs/dbraw/zinc/10/24/04/1069102404.db2.gz CWGOVPRGCFOJAG-CFVMTHIKSA-N 1 0 318.417 2.137 20 10 DECDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c1O ZINC001272659971 1079067079 /nfs/dbraw/zinc/06/70/79/1079067079.db2.gz IGOSDRWFXORSGN-GOSISDBHSA-N 1 0 318.417 2.241 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Br ZINC001235995603 1079070830 /nfs/dbraw/zinc/07/08/30/1079070830.db2.gz VIXIZCGFLGZJPG-FZMZJTMJSA-N 1 0 311.223 2.386 20 10 DECDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Br ZINC001235995602 1079071160 /nfs/dbraw/zinc/07/11/60/1079071160.db2.gz VIXIZCGFLGZJPG-BXUZGUMPSA-N 1 0 311.223 2.386 20 10 DECDRO CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)[NH+]1CCCCC1 ZINC001558174192 1075084782 /nfs/dbraw/zinc/08/47/82/1075084782.db2.gz HACVYWKEMYKZNN-MRXNPFEDSA-N 1 0 306.406 2.225 20 10 DECDRO Cc1cnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC001559709703 1075127770 /nfs/dbraw/zinc/12/77/70/1075127770.db2.gz OBJCVHQFFIUADL-HNNXBMFYSA-N 1 0 312.417 2.472 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001580711584 1075980255 /nfs/dbraw/zinc/98/02/55/1075980255.db2.gz OWFPSXUMKGFLNO-DFBGVHRSSA-N 1 0 304.390 2.025 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001620891036 1076706768 /nfs/dbraw/zinc/70/67/68/1076706768.db2.gz QIRJKVGIRAFLIB-UHFFFAOYSA-N 1 0 320.458 2.401 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c(O)c1C ZINC001609420642 1077855834 /nfs/dbraw/zinc/85/58/34/1077855834.db2.gz QTFOZDOMLLGWJS-GFCCVEGCSA-N 1 0 324.388 2.435 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1F ZINC001650665029 1079766399 /nfs/dbraw/zinc/76/63/99/1079766399.db2.gz QPUCLGHRGFNPIO-ZDUSSCGKSA-N 1 0 307.413 2.381 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nn(C)cc3C)C2)cc1 ZINC001651310938 1079801909 /nfs/dbraw/zinc/80/19/09/1079801909.db2.gz SYLRYRAOIREHRI-AWEZNQCLSA-N 1 0 300.406 2.106 20 10 DECDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001652196791 1079857777 /nfs/dbraw/zinc/85/77/77/1079857777.db2.gz MVALUDTVYCYUNX-HNNXBMFYSA-N 1 0 318.804 2.493 20 10 DECDRO COCCCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001656258002 1080073676 /nfs/dbraw/zinc/07/36/76/1080073676.db2.gz DPJIZBQSLDHFGX-UHFFFAOYSA-N 1 0 323.456 2.484 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2c(C)c3ccccc3n2C)CCOC1 ZINC001657755776 1080184950 /nfs/dbraw/zinc/18/49/50/1080184950.db2.gz DAACHPGRFIZKDV-SFHVURJKSA-N 1 0 316.401 2.299 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c(O)c1 ZINC001658257127 1080204029 /nfs/dbraw/zinc/20/40/29/1080204029.db2.gz FKHTZWYAAFMAQE-HNNXBMFYSA-N 1 0 320.433 2.447 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001658502601 1080209365 /nfs/dbraw/zinc/20/93/65/1080209365.db2.gz IAAQMRBBBUSTJC-CABCVRRESA-N 1 0 310.825 2.077 20 10 DECDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001658591996 1080211893 /nfs/dbraw/zinc/21/18/93/1080211893.db2.gz QVVPSCMJULHCMS-LBPRGKRZSA-N 1 0 308.809 2.490 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(O)c1 ZINC001659427756 1080239453 /nfs/dbraw/zinc/23/94/53/1080239453.db2.gz SPPWRYBVEYGYJC-OAHLLOKOSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(O)c1 ZINC001659762144 1080250177 /nfs/dbraw/zinc/25/01/77/1080250177.db2.gz AVPYJAUQZWVUFN-HUUCEWRRSA-N 1 0 320.433 2.004 20 10 DECDRO CC(C)[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001661197962 1080454689 /nfs/dbraw/zinc/45/46/89/1080454689.db2.gz VCLOOJZJDKWLNC-AWEZNQCLSA-N 1 0 317.393 2.355 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCOC[C@@H]2C)cc1 ZINC001661317371 1080469985 /nfs/dbraw/zinc/46/99/85/1080469985.db2.gz IAVMMSODSJOKGU-INIZCTEOSA-N 1 0 305.466 2.343 20 10 DECDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC001664979459 1080980859 /nfs/dbraw/zinc/98/08/59/1080980859.db2.gz WQHOJTGWKMHEEP-HIFRSBDPSA-N 1 0 305.353 2.275 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1C1CC1 ZINC001665117723 1080992716 /nfs/dbraw/zinc/99/27/16/1080992716.db2.gz CTQHTVYRIUDVBE-JKSUJKDBSA-N 1 0 319.401 2.340 20 10 DECDRO CC[C@H](CNC(=O)c1cnco1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269441971 1081248441 /nfs/dbraw/zinc/24/84/41/1081248441.db2.gz CPMKRSFLVJKIQJ-CQSZACIVSA-N 1 0 317.389 2.290 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913863 1083677875 /nfs/dbraw/zinc/67/78/75/1083677875.db2.gz LLVHUQYOPVXNIB-KBXCAEBGSA-N 1 0 318.417 2.178 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)ccc1N(C)C ZINC001276928848 1083685597 /nfs/dbraw/zinc/68/55/97/1083685597.db2.gz BYMYIEASQLFLCT-SCAQPMJSSA-N 1 0 301.434 2.004 20 10 DECDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1F ZINC001277008958 1083731039 /nfs/dbraw/zinc/73/10/39/1083731039.db2.gz CDRQDYGERXSWMQ-HOTGVXAUSA-N 1 0 307.413 2.049 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@@H]4C(N)=O)CC3)ccc21 ZINC001277253368 1083872817 /nfs/dbraw/zinc/87/28/17/1083872817.db2.gz BKWJGISSONMRPU-MRXNPFEDSA-N 1 0 313.445 2.156 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(N)=O)ccc21 ZINC001277253776 1083873353 /nfs/dbraw/zinc/87/33/53/1083873353.db2.gz JLORUPZYYUVZPP-MXSMSXNCSA-N 1 0 313.445 2.059 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c1O ZINC001277453637 1083980076 /nfs/dbraw/zinc/98/00/76/1083980076.db2.gz DKVOQNPSCAFDLE-KSSFIOAISA-N 1 0 318.417 2.268 20 10 DECDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205248952 1084141383 /nfs/dbraw/zinc/14/13/83/1084141383.db2.gz UOEBPBIKRDVRAB-CQSZACIVSA-N 1 0 319.232 2.375 20 10 DECDRO Cc1cc(CN2CC[NH2+]CC23CC3)c(O)cc1Br ZINC001234978724 1084256747 /nfs/dbraw/zinc/25/67/47/1084256747.db2.gz JSCQQKRSPOZHCH-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO COCC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001491525310 1084369865 /nfs/dbraw/zinc/36/98/65/1084369865.db2.gz NYVTVONHUJYJSM-CQSZACIVSA-N 1 0 320.433 2.025 20 10 DECDRO COCCN1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235682216 1084498556 /nfs/dbraw/zinc/49/85/56/1084498556.db2.gz PJSKKDHOUGCZHR-UHFFFAOYSA-N 1 0 306.450 2.454 20 10 DECDRO CC1(C)C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001235825806 1084538766 /nfs/dbraw/zinc/53/87/66/1084538766.db2.gz OQTTYDWKXHTQJY-UHFFFAOYSA-N 1 0 323.868 2.360 20 10 DECDRO COc1cccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c1O ZINC001235847080 1084545536 /nfs/dbraw/zinc/54/55/36/1084545536.db2.gz DXSQNTNNYDVVKI-KRWDZBQOSA-N 1 0 312.413 2.417 20 10 DECDRO COCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168670244 1084549879 /nfs/dbraw/zinc/54/98/79/1084549879.db2.gz TWGDNQZKYRHPBS-HNNXBMFYSA-N 1 0 322.449 2.415 20 10 DECDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976896 1084578584 /nfs/dbraw/zinc/57/85/84/1084578584.db2.gz DKZAYNCQNLKMJK-HNAYVOBHSA-N 1 0 313.445 2.014 20 10 DECDRO C[C@H]1C[C@@H]([NH3+])CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001236046251 1084596694 /nfs/dbraw/zinc/59/66/94/1084596694.db2.gz FJZXAIDWSSHQSX-WCBMZHEXSA-N 1 0 317.202 2.463 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1CN(C1CC1)C1C[NH2+]C1 ZINC001236063464 1084601412 /nfs/dbraw/zinc/60/14/12/1084601412.db2.gz IZVOTGWMLAPJMD-UHFFFAOYSA-N 1 0 321.852 2.113 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN(C1CC1)C1C[NH2+]C1 ZINC001236063422 1084601653 /nfs/dbraw/zinc/60/16/53/1084601653.db2.gz HXGUFVOZVFQPCW-UHFFFAOYSA-N 1 0 302.296 2.227 20 10 DECDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC001236079825 1084609039 /nfs/dbraw/zinc/60/90/39/1084609039.db2.gz VMZSOOQPAHNUGC-KBPBESRZSA-N 1 0 323.868 2.359 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001143103413 1085689956 /nfs/dbraw/zinc/68/99/56/1085689956.db2.gz CQBKISDLXVZCQG-QAPCUYQASA-N 1 0 307.434 2.255 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC000966043234 1085760829 /nfs/dbraw/zinc/76/08/29/1085760829.db2.gz CXOLWPJJRHMFAW-CQSZACIVSA-N 1 0 308.397 2.442 20 10 DECDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C1(CO)CC1 ZINC000706872665 1086653487 /nfs/dbraw/zinc/65/34/87/1086653487.db2.gz KTCPKMHKAUMZJA-VIFPVBQESA-N 1 0 300.196 2.405 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)ccc1N(C)C ZINC001273206468 1090051071 /nfs/dbraw/zinc/05/10/71/1090051071.db2.gz NPLWYXNYYZGVLR-GOSISDBHSA-N 1 0 301.434 2.115 20 10 DECDRO O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000822188351 1090624161 /nfs/dbraw/zinc/62/41/61/1090624161.db2.gz HIOYXDHRONCZBP-NSHDSACASA-N 1 0 303.811 2.103 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CC(OC)C2)cc1C ZINC001274797592 1091418334 /nfs/dbraw/zinc/41/83/34/1091418334.db2.gz RLFNIXXGQHABTD-IUDNXUCKSA-N 1 0 320.433 2.023 20 10 DECDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H](C)OC)C2)cc1C ZINC001275204314 1091613829 /nfs/dbraw/zinc/61/38/29/1091613829.db2.gz JNRWASUOFBFGHO-IUDNXUCKSA-N 1 0 320.433 2.023 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)cccc1OC(F)(F)F ZINC001276829986 1138329180 /nfs/dbraw/zinc/32/91/80/1138329180.db2.gz FAOYSVGGSKOJPT-AOOOYVTPSA-N 1 0 302.296 2.179 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2O)CCO1 ZINC001236793131 1138429571 /nfs/dbraw/zinc/42/95/71/1138429571.db2.gz ICHPXJPQBAUJOO-NSHDSACASA-N 1 0 319.232 2.461 20 10 DECDRO C[C@@]1(CO)CN(Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236794803 1138429626 /nfs/dbraw/zinc/42/96/26/1138429626.db2.gz UZOAJDULDARYIQ-KGLIPLIRSA-N 1 0 320.216 2.264 20 10 DECDRO CC[NH+](CC)C[C@@H]1CN(Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236812995 1138436303 /nfs/dbraw/zinc/43/63/03/1138436303.db2.gz DIILAOSGQHUDCB-MRXNPFEDSA-N 1 0 322.449 2.252 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928131 1138458771 /nfs/dbraw/zinc/45/87/71/1138458771.db2.gz ISSGPYHUBUAHLX-CQSZACIVSA-N 1 0 324.852 2.381 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236981870 1138475249 /nfs/dbraw/zinc/47/52/49/1138475249.db2.gz OWVTXHYAQSREDY-AWEZNQCLSA-N 1 0 317.355 2.097 20 10 DECDRO CCOC(=O)CN1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237046113 1138487707 /nfs/dbraw/zinc/48/77/07/1138487707.db2.gz PRGLAUIQNSJALV-UHFFFAOYSA-N 1 0 320.433 2.196 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237049530 1138489371 /nfs/dbraw/zinc/48/93/71/1138489371.db2.gz HIJMSJJLKMRREY-YPMHNXCESA-N 1 0 319.323 2.394 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001237048047 1138489654 /nfs/dbraw/zinc/48/96/54/1138489654.db2.gz ORITUYVWOSXZSE-OAHLLOKOSA-N 1 0 318.417 2.282 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237053374 1138491440 /nfs/dbraw/zinc/49/14/40/1138491440.db2.gz KSPVJWTXLCGOCL-YPMHNXCESA-N 1 0 323.286 2.238 20 10 DECDRO CN1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237056819 1138492578 /nfs/dbraw/zinc/49/25/78/1138492578.db2.gz OQEUURQPOKJODG-LBPRGKRZSA-N 1 0 318.339 2.469 20 10 DECDRO COCC[NH+](CCOC)Cc1c(O)cccc1OC(F)(F)F ZINC001237120122 1138507792 /nfs/dbraw/zinc/50/77/92/1138507792.db2.gz MQUQALAVGIPAAY-UHFFFAOYSA-N 1 0 323.311 2.386 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237204015 1138531253 /nfs/dbraw/zinc/53/12/53/1138531253.db2.gz XGCHGTQOEMIAPO-OAHLLOKOSA-N 1 0 322.474 2.296 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001237487784 1138654756 /nfs/dbraw/zinc/65/47/56/1138654756.db2.gz DEZXURQSDSMPQM-UHFFFAOYSA-N 1 0 303.406 2.331 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(CCc2ccncc2)CC1 ZINC001237489305 1138656165 /nfs/dbraw/zinc/65/61/65/1138656165.db2.gz FQGDNNMUGSUYOJ-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237494893 1138657037 /nfs/dbraw/zinc/65/70/37/1138657037.db2.gz MOMKRHKIKVRLQZ-ZDUSSCGKSA-N 1 0 303.337 2.283 20 10 DECDRO CC[C@H](C)COC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239318860 1139020415 /nfs/dbraw/zinc/02/04/15/1139020415.db2.gz XJSDBIJEQAVUDN-AWEZNQCLSA-N 1 0 305.422 2.369 20 10 DECDRO COC(C)(C)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319841521 1140758559 /nfs/dbraw/zinc/75/85/59/1140758559.db2.gz JHXQXCIOUQNETP-UHFFFAOYSA-N 1 0 323.456 2.434 20 10 DECDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001320952240 1141004676 /nfs/dbraw/zinc/00/46/76/1141004676.db2.gz JTMPAMZOYXQTSQ-WSXGPOFGSA-N 1 0 302.418 2.422 20 10 DECDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320975728 1141015134 /nfs/dbraw/zinc/01/51/34/1141015134.db2.gz RQTFWQJCUQEWEL-JKSUJKDBSA-N 1 0 321.440 2.235 20 10 DECDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[nH]n1 ZINC001321649938 1141322120 /nfs/dbraw/zinc/32/21/20/1141322120.db2.gz MFFYOQKKYDWREJ-UHFFFAOYSA-N 1 0 314.433 2.217 20 10 DECDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001323397421 1141849707 /nfs/dbraw/zinc/84/97/07/1141849707.db2.gz RKVDQXQJRZAWPG-IAGOWNOFSA-N 1 0 317.477 2.174 20 10 DECDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1O)C1CCN(C)CC1 ZINC001249201163 1141859000 /nfs/dbraw/zinc/85/90/00/1141859000.db2.gz IJUJUZXBUSGKNW-UHFFFAOYSA-N 1 0 320.433 2.024 20 10 DECDRO COC(=O)Cc1ccc(CN2Cc3cnc(C)cc3C2)c(O)c1 ZINC001249208404 1141859557 /nfs/dbraw/zinc/85/95/57/1141859557.db2.gz TWZSOQZTEXIDRL-UHFFFAOYSA-N 1 0 312.369 2.327 20 10 DECDRO Oc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c(O)c1 ZINC001250686178 1142266205 /nfs/dbraw/zinc/26/62/05/1142266205.db2.gz OVXRNSSPUAJBGS-CQSZACIVSA-N 1 0 323.776 2.281 20 10 DECDRO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001251775502 1142510131 /nfs/dbraw/zinc/51/01/31/1142510131.db2.gz TVLYFVHEMHEMII-MOPGFXCFSA-N 1 0 317.477 2.486 20 10 DECDRO C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001336948858 1142639970 /nfs/dbraw/zinc/63/99/70/1142639970.db2.gz YEFOVPQMFRBLQZ-WMLDXEAASA-N 1 0 316.449 2.036 20 10 DECDRO Nc1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001337019346 1142660294 /nfs/dbraw/zinc/66/02/94/1142660294.db2.gz SMNAFACUTMFCRD-WBVHZDCISA-N 1 0 316.449 2.333 20 10 DECDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Cl)ccc1O ZINC001337785364 1142801894 /nfs/dbraw/zinc/80/18/94/1142801894.db2.gz LJTLODZGCLSHHF-GFCCVEGCSA-N 1 0 312.841 2.401 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)C34CC(C3)C[NH2+]4)cc2)CC1 ZINC001340216589 1143303370 /nfs/dbraw/zinc/30/33/70/1143303370.db2.gz AXUSDSXCNGTICU-UHFFFAOYSA-N 1 0 313.445 2.291 20 10 DECDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)c1ccccc1O ZINC001342404157 1143815886 /nfs/dbraw/zinc/81/58/86/1143815886.db2.gz DIOQVFPMIOECGQ-GKLJAUDBSA-N 1 0 318.417 2.117 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@H]2C1 ZINC001262488286 1144315682 /nfs/dbraw/zinc/31/56/82/1144315682.db2.gz XBPHAPMOEPRKNV-XJKCOSOUSA-N 1 0 302.422 2.463 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC001262569916 1144320091 /nfs/dbraw/zinc/32/00/91/1144320091.db2.gz JJIUQGBMRXLVHL-AAEUAGOBSA-N 1 0 318.339 2.177 20 10 DECDRO COCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001264413020 1144532759 /nfs/dbraw/zinc/53/27/59/1144532759.db2.gz ILUDPRDGJXVEAF-WKILWMFISA-N 1 0 320.433 2.025 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)NC)cc1 ZINC001308003116 1147440825 /nfs/dbraw/zinc/44/08/25/1147440825.db2.gz RGQFMUCFJGNOKF-KRWDZBQOSA-N 1 0 318.465 2.426 20 10 DECDRO CC[N@H+](C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001308175797 1147450777 /nfs/dbraw/zinc/45/07/77/1147450777.db2.gz HXSLHZWTGLSVLH-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)C(=O)C(C)(C)C)cc1C ZINC001317574457 1147727536 /nfs/dbraw/zinc/72/75/36/1147727536.db2.gz XRQZKBRCRKKNAU-UHFFFAOYSA-N 1 0 320.433 2.167 20 10 DECDRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000066697104 354729325 /nfs/dbraw/zinc/72/93/25/354729325.db2.gz SCCNIPFQQBMYKZ-HNNXBMFYSA-N 1 0 303.450 2.443 20 10 DECDRO CC[NH+]1CCC(CCNC(=O)NCc2ccccc2O)CC1 ZINC000073939387 354993937 /nfs/dbraw/zinc/99/39/37/354993937.db2.gz XLCSHCPWIJFCQP-UHFFFAOYSA-N 1 0 305.422 2.313 20 10 DECDRO CCOc1cccc(CN2CCC([N@H+](C)CCCO)CC2)c1O ZINC000093394923 355681320 /nfs/dbraw/zinc/68/13/20/355681320.db2.gz NMAIYJJZHGIDAT-UHFFFAOYSA-N 1 0 322.449 2.070 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000092070143 193152186 /nfs/dbraw/zinc/15/21/86/193152186.db2.gz GKAXSCHOCWCGNN-CQSZACIVSA-N 1 0 316.405 2.295 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285718547 296127526 /nfs/dbraw/zinc/12/75/26/296127526.db2.gz QAKIEZGDCDRDDV-BXUZGUMPSA-N 1 0 318.339 2.306 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000369868832 533014744 /nfs/dbraw/zinc/01/47/44/533014744.db2.gz VGWZHIQBDZTJPF-BXKDBHETSA-N 1 0 313.781 2.295 20 10 DECDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000296114582 285166047 /nfs/dbraw/zinc/16/60/47/285166047.db2.gz VCEJFERPBBLIMS-UHFFFAOYSA-N 1 0 314.345 2.018 20 10 DECDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272492090 130034956 /nfs/dbraw/zinc/03/49/56/130034956.db2.gz RUIUNELPVFBPIS-FNORWQNLSA-N 1 0 304.390 2.054 20 10 DECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000273566790 130139048 /nfs/dbraw/zinc/13/90/48/130139048.db2.gz JSBHTBPSOLXWPD-WPRPVWTQSA-N 1 0 313.195 2.036 20 10 DECDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000273591090 130141294 /nfs/dbraw/zinc/14/12/94/130141294.db2.gz PEHIMGZQZKFJHQ-GFCCVEGCSA-N 1 0 311.447 2.356 20 10 DECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273621727 130146942 /nfs/dbraw/zinc/14/69/42/130146942.db2.gz ZFVLBVMRKVJKHC-ONGXEEELSA-N 1 0 318.211 2.203 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c(O)c1C ZINC000282920017 130945776 /nfs/dbraw/zinc/94/57/76/130945776.db2.gz XWWUMMKVUUIHKT-HNNXBMFYSA-N 1 0 323.433 2.218 20 10 DECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284993173 131128798 /nfs/dbraw/zinc/12/87/98/131128798.db2.gz COGHARLSPBCPBR-JSGCOSHPSA-N 1 0 304.390 2.180 20 10 DECDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285718551 131196393 /nfs/dbraw/zinc/19/63/93/131196393.db2.gz QAKIEZGDCDRDDV-RISCZKNCSA-N 1 0 318.339 2.306 20 10 DECDRO COCC[N@H+](Cc1cccnc1)Cc1cc2c(cc1O)OCO2 ZINC000289485729 131389536 /nfs/dbraw/zinc/38/95/36/131389536.db2.gz RBEBDCXSWDRSEN-UHFFFAOYSA-N 1 0 316.357 2.165 20 10 DECDRO Cc1cccc(C[NH2+]CCn2cc(Br)cn2)c1O ZINC000289529430 131393244 /nfs/dbraw/zinc/39/32/44/131393244.db2.gz HMPIAINVBNUHNA-UHFFFAOYSA-N 1 0 310.195 2.449 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000113343238 401776759 /nfs/dbraw/zinc/77/67/59/401776759.db2.gz USBVMKMJSUGQFI-CYBMUJFWSA-N 1 0 322.405 2.500 20 10 DECDRO Oc1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)C1)OCO2 ZINC000092047371 402000731 /nfs/dbraw/zinc/00/07/31/402000731.db2.gz XYVFDTVFRWTGQC-CQSZACIVSA-N 1 0 304.390 2.181 20 10 DECDRO CCN(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153447634 402145820 /nfs/dbraw/zinc/14/58/20/402145820.db2.gz GLUSQXBYAAUXAW-MRXNPFEDSA-N 1 0 320.433 2.242 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196206 286187045 /nfs/dbraw/zinc/18/70/45/286187045.db2.gz QRLGDSGFMWYXGQ-GXTWGEPZSA-N 1 0 322.361 2.452 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000104341878 402202918 /nfs/dbraw/zinc/20/29/18/402202918.db2.gz FAUSVCSEMISJOT-INIZCTEOSA-N 1 0 307.413 2.382 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1F ZINC000125638710 402243370 /nfs/dbraw/zinc/24/33/70/402243370.db2.gz TWADSSDHFVARIA-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO CCN(CCO)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000184539357 402272962 /nfs/dbraw/zinc/27/29/62/402272962.db2.gz BXMMFFVSSHTHHC-UHFFFAOYSA-N 1 0 305.466 2.081 20 10 DECDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN1CC[NH+](C)CC1 ZINC000185343805 402345035 /nfs/dbraw/zinc/34/50/35/402345035.db2.gz YJCKBEWUQORPNW-KBPBESRZSA-N 1 0 309.429 2.065 20 10 DECDRO Cc1occc1CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000178725839 402531037 /nfs/dbraw/zinc/53/10/37/402531037.db2.gz STEKMASUMNVLAB-UHFFFAOYSA-N 1 0 315.417 2.402 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3nc(C)cs3)CC2)c1 ZINC000179684256 402598254 /nfs/dbraw/zinc/59/82/54/402598254.db2.gz NWBPMXOZESHMCC-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000180996297 402632226 /nfs/dbraw/zinc/63/22/26/402632226.db2.gz KUTVEBJLMKXXOD-VFADXPBXSA-N 1 0 316.401 2.198 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@](C)(O)CSC)ccc1OC ZINC000172634871 402667305 /nfs/dbraw/zinc/66/73/05/402667305.db2.gz SQAJFWWUGFQEOF-INIZCTEOSA-N 1 0 313.463 2.435 20 10 DECDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccc1O ZINC000183448134 402768803 /nfs/dbraw/zinc/76/88/03/402768803.db2.gz OGBKDVIVOINDKK-RHSMWYFYSA-N 1 0 322.474 2.251 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CO[C@H](C)COC ZINC000278053334 402851272 /nfs/dbraw/zinc/85/12/72/402851272.db2.gz IZVNEIBUQWXJIK-ZBFHGGJFSA-N 1 0 311.422 2.017 20 10 DECDRO CC[C@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278373925 402863647 /nfs/dbraw/zinc/86/36/47/402863647.db2.gz KYKZSFDXZNLQKY-OAHLLOKOSA-N 1 0 310.350 2.310 20 10 DECDRO CC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1ccc(C)cc1O ZINC000279966130 402965667 /nfs/dbraw/zinc/96/56/67/402965667.db2.gz CQHAQTPOUSPBRC-CVEARBPZSA-N 1 0 320.433 2.379 20 10 DECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000279938434 402965846 /nfs/dbraw/zinc/96/58/46/402965846.db2.gz YPWRBRFHQXZHRA-OAHLLOKOSA-N 1 0 307.413 2.240 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCCO1 ZINC000279141201 402908446 /nfs/dbraw/zinc/90/84/46/402908446.db2.gz XKZRKKULJXHNRV-CABCVRRESA-N 1 0 311.353 2.018 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1F ZINC000280335668 402989546 /nfs/dbraw/zinc/98/95/46/402989546.db2.gz QWJQRCMMNZUUAQ-HOTGVXAUSA-N 1 0 324.440 2.407 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCc2nnc[nH]2)c(C(F)(F)F)c1 ZINC000280270271 402981839 /nfs/dbraw/zinc/98/18/39/402981839.db2.gz LXRIMSJLRXGIFE-UHFFFAOYSA-N 1 0 313.327 2.222 20 10 DECDRO C[N@@H+]1CCN(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000282180134 403129864 /nfs/dbraw/zinc/12/98/64/403129864.db2.gz FNTNCVFWKPYGAT-UHFFFAOYSA-N 1 0 311.857 2.161 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276822454 403195202 /nfs/dbraw/zinc/19/52/02/403195202.db2.gz PMOKQFPWZPPSPT-ZDUSSCGKSA-N 1 0 324.808 2.251 20 10 DECDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)Cc1ccccc1 ZINC000293865751 403584972 /nfs/dbraw/zinc/58/49/72/403584972.db2.gz INFFYOZQICPRFX-HNNXBMFYSA-N 1 0 315.369 2.156 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])ccc21 ZINC000294236062 403680356 /nfs/dbraw/zinc/68/03/56/403680356.db2.gz YBDBCPOKTHWWLH-HZPDHXFCSA-N 1 0 301.434 2.060 20 10 DECDRO Cc1cc(C(=O)N[C@H](C)CCC[NH3+])c(C)n1-c1ccccn1 ZINC000295271075 403824116 /nfs/dbraw/zinc/82/41/16/403824116.db2.gz RZBAPJVLSILGQA-GFCCVEGCSA-N 1 0 300.406 2.346 20 10 DECDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000361781758 403862239 /nfs/dbraw/zinc/86/22/39/403862239.db2.gz DPBFFVDMQSAJLQ-GJZGRUSLSA-N 1 0 310.825 2.389 20 10 DECDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289905484 404007617 /nfs/dbraw/zinc/00/76/17/404007617.db2.gz NCBFZUHIIWAFCS-CZUORRHYSA-N 1 0 301.434 2.073 20 10 DECDRO Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)c(O)c1O ZINC000365388412 404643047 /nfs/dbraw/zinc/64/30/47/404643047.db2.gz FLJRHWFSMKGSHH-UHFFFAOYSA-N 1 0 304.390 2.107 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000359871124 404807902 /nfs/dbraw/zinc/80/79/02/404807902.db2.gz MMPZARMBKYIZCE-WQAKAFBOSA-N 1 0 324.808 2.153 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000359961432 404810918 /nfs/dbraw/zinc/81/09/18/404810918.db2.gz SEXNZTWFUYURQT-GFCCVEGCSA-N 1 0 307.781 2.424 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1OC ZINC000367289948 404997261 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000273439633 536792968 /nfs/dbraw/zinc/79/29/68/536792968.db2.gz YBCPTAHUCDUOLY-STQMWFEESA-N 1 0 318.417 2.314 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000835046915 649871335 /nfs/dbraw/zinc/87/13/35/649871335.db2.gz NEQVCDDBZLKIOL-OAJJDEHYSA-N 1 0 302.418 2.257 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000835055812 649872953 /nfs/dbraw/zinc/87/29/53/649872953.db2.gz ZMJMRGDWKJYXTA-NAASZUNDSA-N 1 0 317.477 2.202 20 10 DECDRO COC[C@@]1(CO)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055516 649873009 /nfs/dbraw/zinc/87/30/09/649873009.db2.gz VKIVVQQVWZEFRT-XDXAGZTOSA-N 1 0 304.434 2.097 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825879745 609266695 /nfs/dbraw/zinc/26/66/95/609266695.db2.gz QQEIXLOPILFYEK-UHFFFAOYSA-N 1 0 308.389 2.223 20 10 DECDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc2ccccc2c1O ZINC000181232559 625431026 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CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCS2)[NH+](C)C)cc1 ZINC000891253087 623799479 /nfs/dbraw/zinc/79/94/79/623799479.db2.gz QKBSIFJPNLZMNE-JKSUJKDBSA-N 1 0 321.490 2.367 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891563390 624479854 /nfs/dbraw/zinc/47/98/54/624479854.db2.gz FKMLVZWDPQYGAI-AEFFLSMTSA-N 1 0 316.449 2.145 20 10 DECDRO C[C@@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1ccc(N(C)C)cc1 ZINC000891813548 624612608 /nfs/dbraw/zinc/61/26/08/624612608.db2.gz KKPUGRSBBVJYBI-IMUUDWKMSA-N 1 0 316.449 2.479 20 10 DECDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000892118988 624788269 /nfs/dbraw/zinc/78/82/69/624788269.db2.gz JXFKADQWAYZFKB-KRWDZBQOSA-N 1 0 323.396 2.304 20 10 DECDRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892583731 625170285 /nfs/dbraw/zinc/17/02/85/625170285.db2.gz YUMALJBVHDVZGN-UHFFFAOYSA-N 1 0 324.421 2.148 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000164320113 625254523 /nfs/dbraw/zinc/25/45/23/625254523.db2.gz LZYAZGVSWCRLSS-HNNXBMFYSA-N 1 0 318.417 2.296 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892475675 625822070 /nfs/dbraw/zinc/82/20/70/625822070.db2.gz KWRJBKNUHUGFEC-HZPDHXFCSA-N 1 0 308.397 2.476 20 10 DECDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000892485641 625873595 /nfs/dbraw/zinc/87/35/95/625873595.db2.gz KOWNBDAGMGQUGD-ZDUSSCGKSA-N 1 0 322.428 2.033 20 10 DECDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000892485639 625873647 /nfs/dbraw/zinc/87/36/47/625873647.db2.gz KOWNBDAGMGQUGD-CYBMUJFWSA-N 1 0 322.428 2.033 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C2CC2)ccc1N1CCCCC1 ZINC000734844749 633430745 /nfs/dbraw/zinc/43/07/45/633430745.db2.gz UDEPMKBBIZCSSN-QGZVFWFLSA-N 1 0 319.405 2.446 20 10 DECDRO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027242731 633510656 /nfs/dbraw/zinc/51/06/56/633510656.db2.gz YJQLXXKJCFSLBP-GFCCVEGCSA-N 1 0 317.393 2.309 20 10 DECDRO COCCOCC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000313555719 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COc1cc(C)cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000894212098 636477064 /nfs/dbraw/zinc/47/70/64/636477064.db2.gz WNVVYVSOFOSFRY-LBPRGKRZSA-N 1 0 318.339 2.435 20 10 DECDRO COc1ccc(N2CC[C@H](Nc3cc(N(C)C)ncn3)C2)cc1 ZINC000894484401 637065516 /nfs/dbraw/zinc/06/55/16/637065516.db2.gz GNRYRCKSQAXRIG-ZDUSSCGKSA-N 1 0 313.405 2.242 20 10 DECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1c(O)cccc1F ZINC000923308026 637099684 /nfs/dbraw/zinc/09/96/84/637099684.db2.gz ZGZYWDCPMDEYLZ-ZDUSSCGKSA-N 1 0 323.412 2.451 20 10 DECDRO COc1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c(O)c1OC ZINC000894722874 637185265 /nfs/dbraw/zinc/18/52/65/637185265.db2.gz DOOCYQIWCYSDDQ-GOEBONIOSA-N 1 0 321.417 2.296 20 10 DECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894782108 637210000 /nfs/dbraw/zinc/21/00/00/637210000.db2.gz VTMHGIJAWJDGGV-LBPRGKRZSA-N 1 0 312.360 2.409 20 10 DECDRO COc1ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c(O)c1OC ZINC000894793311 637216361 /nfs/dbraw/zinc/21/63/61/637216361.db2.gz CLGWAEAJRVAJBN-AWEZNQCLSA-N 1 0 308.422 2.324 20 10 DECDRO CC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894869838 637277240 /nfs/dbraw/zinc/27/72/40/637277240.db2.gz FJORCMJKHAAJMY-SNVBAGLBSA-N 1 0 306.175 2.497 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000895007040 637378654 /nfs/dbraw/zinc/37/86/54/637378654.db2.gz GTZMLKYOINEMPX-SNVBAGLBSA-N 1 0 322.796 2.470 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000320017959 637409394 /nfs/dbraw/zinc/40/93/94/637409394.db2.gz FSNNWIMSANKDEN-KRWDZBQOSA-N 1 0 314.433 2.109 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838765272 637648395 /nfs/dbraw/zinc/64/83/95/637648395.db2.gz GPFKEKJWDPMDSG-AWEZNQCLSA-N 1 0 305.422 2.266 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCc3cncn3C)CC2)cc1 ZINC000838799875 637653326 /nfs/dbraw/zinc/65/33/26/637653326.db2.gz YWFVDWJBHWSPBT-UHFFFAOYSA-N 1 0 314.433 2.184 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nccc4nc[nH]c43)cc2)CC1 ZINC000895145003 637661655 /nfs/dbraw/zinc/66/16/55/637661655.db2.gz QTNBXNMJEUXKFQ-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO OC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895151992 637676289 /nfs/dbraw/zinc/67/62/89/637676289.db2.gz XERAHZPCZNAENE-GOSISDBHSA-N 1 0 318.461 2.385 20 10 DECDRO Cn1nc2c(c1C[NH2+]Cc1cc(Cl)ccc1O)COCC2 ZINC000895155302 637682297 /nfs/dbraw/zinc/68/22/97/637682297.db2.gz HLWFIDLANNILRK-UHFFFAOYSA-N 1 0 307.781 2.142 20 10 DECDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000727167120 637767317 /nfs/dbraw/zinc/76/73/17/637767317.db2.gz GVBVZJVNGVVQSC-ZDUSSCGKSA-N 1 0 313.401 2.418 20 10 DECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839191398 637815131 /nfs/dbraw/zinc/81/51/31/637815131.db2.gz JGURSPZJWHYKMH-WBVHZDCISA-N 1 0 308.397 2.319 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC(C)=NO3)CC2)cc1 ZINC000895306962 637910346 /nfs/dbraw/zinc/91/03/46/637910346.db2.gz LSEFXJKCUZPLJR-KRWDZBQOSA-N 1 0 303.406 2.418 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000840914186 650379857 /nfs/dbraw/zinc/37/98/57/650379857.db2.gz RBACWRPWZXIHNI-OALUTQOASA-N 1 0 317.477 2.092 20 10 DECDRO COCCOC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743379714 638142169 /nfs/dbraw/zinc/14/21/69/638142169.db2.gz IJDWFVCWVFEBMH-CQSZACIVSA-N 1 0 316.401 2.425 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)C(C)C ZINC000840967957 650397024 /nfs/dbraw/zinc/39/70/24/650397024.db2.gz UHFJLYYFPCICSR-MSOLQXFVSA-N 1 0 306.450 2.408 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2F)c1 ZINC000895748817 638177086 /nfs/dbraw/zinc/17/70/86/638177086.db2.gz JXGRBFYNJPEKSB-CQSZACIVSA-N 1 0 305.349 2.233 20 10 DECDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139031 638182070 /nfs/dbraw/zinc/18/20/70/638182070.db2.gz HODUBAOFKVSZQW-NVXWUHKLSA-N 1 0 322.474 2.200 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)CC23CCC3)c1 ZINC000895928098 638271339 /nfs/dbraw/zinc/27/13/39/638271339.db2.gz GFBYAHQYPWHLOT-UHFFFAOYSA-N 1 0 304.390 2.036 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745827196 638293340 /nfs/dbraw/zinc/29/33/40/638293340.db2.gz DUSXYYKBSDDWOH-HOCLYGCPSA-N 1 0 318.465 2.343 20 10 DECDRO C/C=C\CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896018498 638312398 /nfs/dbraw/zinc/31/23/98/638312398.db2.gz OOFSPBAFIGNRRD-MWWKQMNYSA-N 1 0 304.438 2.231 20 10 DECDRO COc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000841042347 650411776 /nfs/dbraw/zinc/41/17/76/650411776.db2.gz INXCFVGKPZULBJ-INIZCTEOSA-N 1 0 315.417 2.256 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CNCC[C@H]3C)CC2)cc1 ZINC000841057650 650416739 /nfs/dbraw/zinc/41/67/39/650416739.db2.gz BUPKPDWWPBHULE-KDOFPFPSSA-N 1 0 303.450 2.252 20 10 DECDRO CCOCc1cc(CNC[C@@]2(COC)CCC[NH2+]2)ccc1OC ZINC000841066707 650421024 /nfs/dbraw/zinc/42/10/24/650421024.db2.gz FJVHRMHKDIRLKX-GOSISDBHSA-N 1 0 322.449 2.090 20 10 DECDRO Oc1cc2c(cc1CNc1ccc3c(c1)C[NH2+]CCO3)OCO2 ZINC000841076561 650423904 /nfs/dbraw/zinc/42/39/04/650423904.db2.gz IUOKPQKHNCPJMF-UHFFFAOYSA-N 1 0 314.341 2.215 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896395752 638500219 /nfs/dbraw/zinc/50/02/19/638500219.db2.gz KVDLOGRWMJHENY-CXAGYDPISA-N 1 0 320.389 2.111 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000897176060 639225691 /nfs/dbraw/zinc/22/56/91/639225691.db2.gz MTXQWHZVFOUOMW-OAHLLOKOSA-N 1 0 321.417 2.154 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@H]3C[C@H]3C)CC2)cc1 ZINC000840717094 639278731 /nfs/dbraw/zinc/27/87/31/639278731.db2.gz QSMUPHYXCOPPSK-MDZRGWNJSA-N 1 0 317.477 2.451 20 10 DECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000897341413 639513009 /nfs/dbraw/zinc/51/30/09/639513009.db2.gz DBUSHWBSHJFJFM-MRXNPFEDSA-N 1 0 302.418 2.406 20 10 DECDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc3ccccc3c1O)CC2 ZINC000897347566 639534476 /nfs/dbraw/zinc/53/44/76/639534476.db2.gz PBVWSVPTMNMJRY-CQSZACIVSA-N 1 0 308.385 2.321 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756535538 639670480 /nfs/dbraw/zinc/67/04/80/639670480.db2.gz QYNFVXAKZMTLTP-KOLCDFICSA-N 1 0 301.383 2.104 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000756546406 639672144 /nfs/dbraw/zinc/67/21/44/639672144.db2.gz PPQINIWEMQKPRX-GFCCVEGCSA-N 1 0 306.406 2.171 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2O ZINC000756641825 639681300 /nfs/dbraw/zinc/68/13/00/639681300.db2.gz YLUXRAKTJSWGBG-TVQRCGJNSA-N 1 0 315.348 2.363 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(O)c1C ZINC000756775638 639693693 /nfs/dbraw/zinc/69/36/93/639693693.db2.gz JWLFSQDMCWWPEU-ZDUSSCGKSA-N 1 0 311.447 2.484 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000841654645 650530183 /nfs/dbraw/zinc/53/01/83/650530183.db2.gz ORTKWLDDEAXCNO-XIRDDKMYSA-N 1 0 316.449 2.021 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841652770 650530247 /nfs/dbraw/zinc/53/02/47/650530247.db2.gz GARQVJHITGGIGS-UKRRQHHQSA-N 1 0 304.438 2.021 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000841652017 650530508 /nfs/dbraw/zinc/53/05/08/650530508.db2.gz CMWYLNOEOUEKSE-UHFFFAOYSA-N 1 0 304.438 2.213 20 10 DECDRO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000841692273 650541986 /nfs/dbraw/zinc/54/19/86/650541986.db2.gz FTRPTSZGCAXKPV-LSDHHAIUSA-N 1 0 318.465 2.231 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000841710469 650546885 /nfs/dbraw/zinc/54/68/85/650546885.db2.gz WKSGMXBFZCBVJB-INIZCTEOSA-N 1 0 316.449 2.086 20 10 DECDRO C[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841710314 650546914 /nfs/dbraw/zinc/54/69/14/650546914.db2.gz VUYZIBIEIUNZPG-GOSISDBHSA-N 1 0 316.449 2.167 20 10 DECDRO CN1CCCc2cc(CNC(=O)NC3(C)CC[NH2+]CC3)ccc21 ZINC000841760377 650558428 /nfs/dbraw/zinc/55/84/28/650558428.db2.gz UYGMMWOHJLBAFY-UHFFFAOYSA-N 1 0 316.449 2.010 20 10 DECDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841759515 650558644 /nfs/dbraw/zinc/55/86/44/650558644.db2.gz HCDWJAWMIHUCLV-AWEZNQCLSA-N 1 0 322.428 2.033 20 10 DECDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841764219 650559436 /nfs/dbraw/zinc/55/94/36/650559436.db2.gz UKYFRWQRAPIPQU-CQSZACIVSA-N 1 0 321.440 2.407 20 10 DECDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000760819603 640232029 /nfs/dbraw/zinc/23/20/29/640232029.db2.gz YJJDHXNIIDIMTJ-YDZSZYSISA-N 1 0 323.396 2.451 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1 ZINC000761225853 640287983 /nfs/dbraw/zinc/28/79/83/640287983.db2.gz IWXOCLXWLMVUAM-UHFFFAOYSA-N 1 0 318.417 2.234 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000841823460 650570911 /nfs/dbraw/zinc/57/09/11/650570911.db2.gz BUOMHFOUEPNAKJ-OAHLLOKOSA-N 1 0 318.465 2.331 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1F ZINC000841799599 650567383 /nfs/dbraw/zinc/56/73/83/650567383.db2.gz YHWPJSMASOPSNL-OAHLLOKOSA-N 1 0 322.428 2.208 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000841799142 650567497 /nfs/dbraw/zinc/56/74/97/650567497.db2.gz QAYNSHMNQHGSOA-CYBMUJFWSA-N 1 0 324.444 2.469 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850176 650579248 /nfs/dbraw/zinc/57/92/48/650579248.db2.gz AYKPYRUFBHKDDX-LLVKDONJSA-N 1 0 318.446 2.044 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cc(C)nn3C)CC2)cc1 ZINC000841835130 650575836 /nfs/dbraw/zinc/57/58/36/650575836.db2.gz BVTMNXXTNWSDRR-UHFFFAOYSA-N 1 0 314.433 2.449 20 10 DECDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000762788166 640459978 /nfs/dbraw/zinc/45/99/78/640459978.db2.gz VOKWZVYQOGDYGE-UHFFFAOYSA-N 1 0 311.378 2.231 20 10 DECDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857669 650582265 /nfs/dbraw/zinc/58/22/65/650582265.db2.gz QMENMCANJDGWGQ-GHMZBOCLSA-N 1 0 314.480 2.052 20 10 DECDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882665 650592239 /nfs/dbraw/zinc/59/22/39/650592239.db2.gz MHHFAYLRFGZMHY-KGLIPLIRSA-N 1 0 304.438 2.112 20 10 DECDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841884222 650593636 /nfs/dbraw/zinc/59/36/36/650593636.db2.gz YYQUNEWVLDPSIA-CABCVRRESA-N 1 0 318.465 2.455 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000841914671 650601815 /nfs/dbraw/zinc/60/18/15/650601815.db2.gz IDAGUQIUFSOIFT-UHFFFAOYSA-N 1 0 318.465 2.425 20 10 DECDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000765386020 640771845 /nfs/dbraw/zinc/77/18/45/640771845.db2.gz QYIFDTUPSLIECS-GHMZBOCLSA-N 1 0 317.355 2.470 20 10 DECDRO CN(C)c1ccc(CN(C(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC000729518705 640789073 /nfs/dbraw/zinc/78/90/73/640789073.db2.gz RVMSDBYERNLDSH-OAHLLOKOSA-N 1 0 301.434 2.195 20 10 DECDRO CCC[N@H+](C)CC(=O)NCc1cccc(Br)c1O ZINC000765735333 640813616 /nfs/dbraw/zinc/81/36/16/640813616.db2.gz GZZKQEZQLJUFBG-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978270 640835051 /nfs/dbraw/zinc/83/50/51/640835051.db2.gz NNBAAVRXDUOFKI-HNNXBMFYSA-N 1 0 324.490 2.446 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000841970319 650616407 /nfs/dbraw/zinc/61/64/07/650616407.db2.gz UQSZCYABCXYQFL-GFCCVEGCSA-N 1 0 321.421 2.151 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841987652 650620209 /nfs/dbraw/zinc/62/02/09/650620209.db2.gz PGGOHFUEYXRQLA-KRWDZBQOSA-N 1 0 318.465 2.412 20 10 DECDRO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccccc3O)C2)CCC1 ZINC000897700569 640908834 /nfs/dbraw/zinc/90/88/34/640908834.db2.gz VMYWBNXHKSDPPO-SFHVURJKSA-N 1 0 319.401 2.062 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978277 650617989 /nfs/dbraw/zinc/61/79/89/650617989.db2.gz LYPJHJGINSUKOC-OAHLLOKOSA-N 1 0 305.422 2.456 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000841982109 650618871 /nfs/dbraw/zinc/61/88/71/650618871.db2.gz OTSPFASGJFDBSL-HUUCEWRRSA-N 1 0 304.438 2.164 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC/C=C/C[NH3+] ZINC000841996074 650621972 /nfs/dbraw/zinc/62/19/72/650621972.db2.gz LZSPESXQPHTKJU-ONEGZZNKSA-N 1 0 316.449 2.333 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCC(C)(C)C2)c(O)c1OC ZINC000898032281 641005732 /nfs/dbraw/zinc/00/57/32/641005732.db2.gz YQUCBFDNWBEYRS-UHFFFAOYSA-N 1 0 308.422 2.231 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898059008 641012545 /nfs/dbraw/zinc/01/25/45/641012545.db2.gz VYHAONKSZSENND-KRWDZBQOSA-N 1 0 301.390 2.230 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000842009309 650627504 /nfs/dbraw/zinc/62/75/04/650627504.db2.gz AIUORXOCSRAWQU-GJZGRUSLSA-N 1 0 304.438 2.021 20 10 DECDRO CCOc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000768193243 641058646 /nfs/dbraw/zinc/05/86/46/641058646.db2.gz YNCSHMFHCRKSES-KRWDZBQOSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768438619 641081368 /nfs/dbraw/zinc/08/13/68/641081368.db2.gz CVOWKCRYAAUKCB-HNNXBMFYSA-N 1 0 304.346 2.055 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842006408 650626316 /nfs/dbraw/zinc/62/63/16/650626316.db2.gz QBJYBWPFKRYCHW-KBPBESRZSA-N 1 0 306.454 2.408 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769379538 641229258 /nfs/dbraw/zinc/22/92/58/641229258.db2.gz BKHDSKIFFZKUDE-MRXNPFEDSA-N 1 0 303.450 2.049 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000770290321 641354785 /nfs/dbraw/zinc/35/47/85/641354785.db2.gz AKIXHNQORRVXGU-UHFFFAOYSA-N 1 0 307.390 2.172 20 10 DECDRO COc1cccc(O)c1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000770380414 641362437 /nfs/dbraw/zinc/36/24/37/641362437.db2.gz HNFSXCUMCRPFFS-HACGYAERSA-N 1 0 307.390 2.169 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(O)c1 ZINC000770380761 641362599 /nfs/dbraw/zinc/36/25/99/641362599.db2.gz QQJVTLPMADZVJK-GOEBONIOSA-N 1 0 318.417 2.282 20 10 DECDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842167584 650664827 /nfs/dbraw/zinc/66/48/27/650664827.db2.gz VCKKWVFYKHEWBS-QLFBSQMISA-N 1 0 303.450 2.345 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)c1O ZINC000927103409 641628941 /nfs/dbraw/zinc/62/89/41/641628941.db2.gz PTZZLXXYSNDKCF-HIFRSBDPSA-N 1 0 320.433 2.305 20 10 DECDRO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013865 641716864 /nfs/dbraw/zinc/71/68/64/641716864.db2.gz GBNQWGGOOJJNQA-NSHDSACASA-N 1 0 317.355 2.424 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773372245 641765863 /nfs/dbraw/zinc/76/58/63/641765863.db2.gz QMTQAKNHTGKBGD-KBPBESRZSA-N 1 0 306.454 2.453 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)cc1 ZINC000773852618 641832273 /nfs/dbraw/zinc/83/22/73/641832273.db2.gz CGTVGFMNXPURBF-GOSISDBHSA-N 1 0 320.433 2.345 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000773887062 641836367 /nfs/dbraw/zinc/83/63/67/641836367.db2.gz ABQWYHILLBVEJD-USXIJHARSA-N 1 0 301.434 2.229 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)c(OC)co2)c1 ZINC000775371972 642036767 /nfs/dbraw/zinc/03/67/67/642036767.db2.gz WMPIRFYIFBQKJO-JTQLQIEISA-N 1 0 305.330 2.213 20 10 DECDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(N2CCOCC2)cc1 ZINC000775420525 642042381 /nfs/dbraw/zinc/04/23/81/642042381.db2.gz XTYUOSVBAIFHKT-HNNXBMFYSA-N 1 0 312.417 2.207 20 10 DECDRO C[NH+]1CCN(c2ccc(/C=C3/c4ccncc4NC3=O)cc2)CC1 ZINC000899421971 642063377 /nfs/dbraw/zinc/06/33/77/642063377.db2.gz LZLHCGLWCAVHJG-ATVHPVEESA-N 1 0 320.396 2.326 20 10 DECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775984948 642118982 /nfs/dbraw/zinc/11/89/82/642118982.db2.gz IPWFFVCXDDHMGK-LSDHHAIUSA-N 1 0 321.440 2.187 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000776253061 642150308 /nfs/dbraw/zinc/15/03/08/642150308.db2.gz MJPGPHVTGLRTHF-MRXNPFEDSA-N 1 0 318.417 2.424 20 10 DECDRO CC(C)CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899725476 642150685 /nfs/dbraw/zinc/15/06/85/642150685.db2.gz WCOSCZPDONMEBT-MRXNPFEDSA-N 1 0 322.522 2.475 20 10 DECDRO OCC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779202209 642472227 /nfs/dbraw/zinc/47/22/27/642472227.db2.gz LNYPNFUABNIZID-OAHLLOKOSA-N 1 0 308.397 2.009 20 10 DECDRO C[C@H](CCO)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779339469 642488723 /nfs/dbraw/zinc/48/87/23/642488723.db2.gz CMJJJRIOPHIUGN-RDBSUJKOSA-N 1 0 310.413 2.300 20 10 DECDRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779484874 642504004 /nfs/dbraw/zinc/50/40/04/642504004.db2.gz VYMVEOZGYTUBJV-ALCCZGGFSA-N 1 0 304.390 2.054 20 10 DECDRO CCOc1ccc(C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)c(O)c1 ZINC000780593265 642648067 /nfs/dbraw/zinc/64/80/67/642648067.db2.gz CXYIBFVSWCZTSV-WMZOPIPTSA-N 1 0 323.433 2.447 20 10 DECDRO C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1O)OC[C@@H]3O)CCOCC2 ZINC000842637741 650791901 /nfs/dbraw/zinc/79/19/01/650791901.db2.gz DQTPEABOKGXTLB-LRDDRELGSA-N 1 0 319.401 2.209 20 10 DECDRO C[C@H](NCC1([NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000902416931 643032619 /nfs/dbraw/zinc/03/26/19/643032619.db2.gz PRFUDVQDVGHDAB-LBPRGKRZSA-N 1 0 309.841 2.319 20 10 DECDRO C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(Br)cc(F)c1[O-] ZINC000902413970 643041557 /nfs/dbraw/zinc/04/15/57/643041557.db2.gz QCOFRZAPYFNBNL-ZETCQYMHSA-N 1 0 303.175 2.436 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000902621768 643087856 /nfs/dbraw/zinc/08/78/56/643087856.db2.gz FMWFTXIMQNOZEC-HNNXBMFYSA-N 1 0 300.358 2.278 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000104900858 650821378 /nfs/dbraw/zinc/82/13/78/650821378.db2.gz DLPSSTZTOKDDKU-SWLSCSKDSA-N 1 0 306.406 2.452 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CN3C[C@@H]2CCC3)N(C)C)cc1 ZINC000903449386 643355902 /nfs/dbraw/zinc/35/59/02/643355902.db2.gz YGEDADJZOPPMFU-QXAKKESOSA-N 1 0 316.493 2.039 20 10 DECDRO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000805822748 643435554 /nfs/dbraw/zinc/43/55/54/643435554.db2.gz RKGHXJZABZTXGS-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1O ZINC000787424389 643493335 /nfs/dbraw/zinc/49/33/35/643493335.db2.gz IXWFBEGDOSJBGS-UHFFFAOYSA-N 1 0 311.428 2.455 20 10 DECDRO COc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903982893 643536779 /nfs/dbraw/zinc/53/67/79/643536779.db2.gz ZBZURFPXVAGEQU-QWRGUYRKSA-N 1 0 304.312 2.112 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CCN2CCOC(C)(C)C2)cc1 ZINC000789330631 643717200 /nfs/dbraw/zinc/71/72/00/643717200.db2.gz FSORKETVOUTQQZ-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000789765797 643772005 /nfs/dbraw/zinc/77/20/05/643772005.db2.gz TVJPASSPUCAHAA-GASCZTMLSA-N 1 0 323.456 2.433 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@H](O)c1ccccc1 ZINC000905085374 643779748 /nfs/dbraw/zinc/77/97/48/643779748.db2.gz AEAWVJMBESUAHI-ROUUACIJSA-N 1 0 313.397 2.196 20 10 DECDRO COc1cc(Br)cc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000843043646 650875048 /nfs/dbraw/zinc/87/50/48/650875048.db2.gz ANUQNFLGHZPERF-NSHDSACASA-N 1 0 315.211 2.086 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843045052 650875712 /nfs/dbraw/zinc/87/57/12/650875712.db2.gz HEYRCDBFXUDNMP-MAUKXSAKSA-N 1 0 303.450 2.225 20 10 DECDRO COCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CC[C@H](C)C1 ZINC000790481642 643857977 /nfs/dbraw/zinc/85/79/77/643857977.db2.gz YABNFBGRFXNXQQ-JDFRZJQESA-N 1 0 321.417 2.455 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H](O)C(F)(F)F)ccc1OC ZINC000790999727 643918732 /nfs/dbraw/zinc/91/87/32/643918732.db2.gz HTIYTIYBQMYZPP-CYBMUJFWSA-N 1 0 307.312 2.245 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000843049553 650877273 /nfs/dbraw/zinc/87/72/73/650877273.db2.gz PRVBGAOOLJXDRS-HNNXBMFYSA-N 1 0 318.421 2.379 20 10 DECDRO C[NH2+]CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000843057106 650879168 /nfs/dbraw/zinc/87/91/68/650879168.db2.gz BCWKSUIDXPFPAV-UHFFFAOYSA-N 1 0 323.393 2.131 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC000792271401 644099353 /nfs/dbraw/zinc/09/93/53/644099353.db2.gz JMUKDUOTADWSIB-LBPRGKRZSA-N 1 0 315.373 2.475 20 10 DECDRO COc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000792788514 644152958 /nfs/dbraw/zinc/15/29/58/644152958.db2.gz ASXFKJNEWZCNQP-UHFFFAOYSA-N 1 0 323.437 2.319 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000793007090 644179482 /nfs/dbraw/zinc/17/94/82/644179482.db2.gz CSEVLCVOAQPFMK-KGLIPLIRSA-N 1 0 321.421 2.073 20 10 DECDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000793524175 644267272 /nfs/dbraw/zinc/26/72/72/644267272.db2.gz SLHBYDNTBGXULN-OAHLLOKOSA-N 1 0 314.433 2.416 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1 ZINC000793745629 644295899 /nfs/dbraw/zinc/29/58/99/644295899.db2.gz LMXMLLKMRSDDDM-UHFFFAOYSA-N 1 0 311.447 2.266 20 10 DECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704807 644463335 /nfs/dbraw/zinc/46/33/35/644463335.db2.gz NSNBLSIWJSCWEA-SCLBCKFNSA-N 1 0 303.402 2.261 20 10 DECDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000907276047 644488844 /nfs/dbraw/zinc/48/88/44/644488844.db2.gz YTXQDMXYVJGBGZ-ZFWWWQNUSA-N 1 0 320.433 2.267 20 10 DECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795703375 644622512 /nfs/dbraw/zinc/62/25/12/644622512.db2.gz RTBHFJQVTROQJB-KBXCAEBGSA-N 1 0 316.445 2.176 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)OCC2CC2)[NH+](C)C)cc1 ZINC000908460799 644867349 /nfs/dbraw/zinc/86/73/49/644867349.db2.gz ZDEGVPQCBBHUPJ-MRXNPFEDSA-N 1 0 305.422 2.492 20 10 DECDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841085966 644937431 /nfs/dbraw/zinc/93/74/31/644937431.db2.gz JYDVHBMJZGBVNX-NSHDSACASA-N 1 0 305.205 2.167 20 10 DECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000840826761 644999333 /nfs/dbraw/zinc/99/93/33/644999333.db2.gz VCYCCIQDDMGJKR-YDEJPDAXSA-N 1 0 316.195 2.219 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1OC ZINC000843428368 650973100 /nfs/dbraw/zinc/97/31/00/650973100.db2.gz INHRMFWMIFOVPX-CQSZACIVSA-N 1 0 307.390 2.410 20 10 DECDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000843487697 650983536 /nfs/dbraw/zinc/98/35/36/650983536.db2.gz KWCWYPCGOKIFGN-DLBZAZTESA-N 1 0 303.450 2.489 20 10 DECDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000843504451 650986251 /nfs/dbraw/zinc/98/62/51/650986251.db2.gz AFSJCQIJGOQWSL-QWRGUYRKSA-N 1 0 318.446 2.172 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000911761187 645825465 /nfs/dbraw/zinc/82/54/65/645825465.db2.gz MFOZTWWXTIJFQJ-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000807564639 645963849 /nfs/dbraw/zinc/96/38/49/645963849.db2.gz WATFVYHOFXYNAA-CQSZACIVSA-N 1 0 320.414 2.495 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000808446242 646086222 /nfs/dbraw/zinc/08/62/22/646086222.db2.gz JIKGMSBDLCPGPF-BZUAXINKSA-N 1 0 318.417 2.137 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C(C)(C)C ZINC000808706711 646131878 /nfs/dbraw/zinc/13/18/78/646131878.db2.gz RSYBLTVGMFLSNH-QGZVFWFLSA-N 1 0 306.450 2.362 20 10 DECDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000808725788 646132545 /nfs/dbraw/zinc/13/25/45/646132545.db2.gz FEJJWOWRXLVOJR-JQWIXIFHSA-N 1 0 315.410 2.492 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000809700714 646265363 /nfs/dbraw/zinc/26/53/63/646265363.db2.gz MZZIYBHJWDVJQI-HOCLYGCPSA-N 1 0 320.433 2.086 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c1O ZINC000809778209 646282805 /nfs/dbraw/zinc/28/28/05/646282805.db2.gz MKHVXIKIQIWPFR-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000813857336 646815248 /nfs/dbraw/zinc/81/52/48/646815248.db2.gz SQBQAJKAXHQULQ-TXPKVOOTSA-N 1 0 317.477 2.451 20 10 DECDRO c1nnn(-c2ccccc2)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000814297209 646871044 /nfs/dbraw/zinc/87/10/44/646871044.db2.gz DQKIUECEBRFYNE-UHFFFAOYSA-N 1 0 306.369 2.492 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000151594527 646978763 /nfs/dbraw/zinc/97/87/63/646978763.db2.gz VZAZSWYSQJSKRY-IBGZPJMESA-N 1 0 318.461 2.410 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000925400835 647095623 /nfs/dbraw/zinc/09/56/23/647095623.db2.gz WLLZCRJXQWHOEG-KRWDZBQOSA-N 1 0 318.465 2.378 20 10 DECDRO Oc1c(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)ccc2ccccc21 ZINC000816548477 647150744 /nfs/dbraw/zinc/15/07/44/647150744.db2.gz JGEQCWVDZOVVJL-IAGOWNOFSA-N 1 0 312.413 2.498 20 10 DECDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000816667416 647166317 /nfs/dbraw/zinc/16/63/17/647166317.db2.gz MUXAQNLSMIQHLG-HNNXBMFYSA-N 1 0 308.397 2.009 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000914254924 647241216 /nfs/dbraw/zinc/24/12/16/647241216.db2.gz VGMLBIWLRMKQHO-WMLDXEAASA-N 1 0 318.465 2.425 20 10 DECDRO CCCN1C[C@@H](C[NH2+]Cc2cc(OCC)ccc2O)CC1=O ZINC000817410337 647288430 /nfs/dbraw/zinc/28/84/30/647288430.db2.gz APNHJONCXITEPX-CYBMUJFWSA-N 1 0 306.406 2.139 20 10 DECDRO COc1ccc(N2CCC([NH2+]C3CCN(OC)CC3)CC2)cc1 ZINC000817419203 647290958 /nfs/dbraw/zinc/29/09/58/647290958.db2.gz QYKYQQWLGCUQKN-UHFFFAOYSA-N 1 0 319.449 2.279 20 10 DECDRO CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894506 647374173 /nfs/dbraw/zinc/37/41/73/647374173.db2.gz LOHXCBXKWULVEX-MSOLQXFVSA-N 1 0 303.450 2.143 20 10 DECDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(F)c1[O-] ZINC000817977849 647398882 /nfs/dbraw/zinc/39/88/82/647398882.db2.gz QOYWWTRUBYFACA-XUJCCDQDSA-N 1 0 315.186 2.162 20 10 DECDRO CCOc1ccc(C[NH2+]CCc2nnc3ccccn32)c(O)c1 ZINC000731448376 647478702 /nfs/dbraw/zinc/47/87/02/647478702.db2.gz 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C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823161408 648365150 /nfs/dbraw/zinc/36/51/50/648365150.db2.gz QYGYCXJNKNOYCH-ZWNOBZJWSA-N 1 0 303.366 2.014 20 10 DECDRO CCCNC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000179922241 648434594 /nfs/dbraw/zinc/43/45/94/648434594.db2.gz GAPGJLWNLOSOOQ-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000181070741 648543650 /nfs/dbraw/zinc/54/36/50/648543650.db2.gz MUBGOLDYXVCQRG-PVUWLOKVSA-N 1 0 308.397 2.226 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824516287 648600916 /nfs/dbraw/zinc/60/09/16/648600916.db2.gz LMFZDDYNHSUOJC-CQSZACIVSA-N 1 0 317.410 2.361 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1Cl ZINC000824826271 648658352 /nfs/dbraw/zinc/65/83/52/648658352.db2.gz YMLBSHCTMISRDB-UHFFFAOYSA-N 1 0 308.809 2.456 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCCc1ccccc1 ZINC000825035996 648689297 /nfs/dbraw/zinc/68/92/97/648689297.db2.gz 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O=C1OCCN1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000827740995 649079184 /nfs/dbraw/zinc/07/91/84/649079184.db2.gz LCJKFHBWABYZSS-UHFFFAOYSA-N 1 0 310.781 2.462 20 10 DECDRO Cc1cc(C[N@@H+](C)[C@H]2CCNC2=O)ccc1N1CCCCC1 ZINC000828511297 649188458 /nfs/dbraw/zinc/18/84/58/649188458.db2.gz MCAQEZFZXJZLHD-KRWDZBQOSA-N 1 0 301.434 2.306 20 10 DECDRO CC(C)([NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829004077 649258037 /nfs/dbraw/zinc/25/80/37/649258037.db2.gz ZJSFXOKMNFEBQE-AWEZNQCLSA-N 1 0 306.406 2.027 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000830910355 649513661 /nfs/dbraw/zinc/51/36/61/649513661.db2.gz QKXPRFWTXXYKPN-ZBFHGGJFSA-N 1 0 303.406 2.073 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000733329621 649544100 /nfs/dbraw/zinc/54/41/00/649544100.db2.gz IDOFNZNWPCUCLF-AWEZNQCLSA-N 1 0 318.339 2.190 20 10 DECDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945226584 649631293 /nfs/dbraw/zinc/63/12/93/649631293.db2.gz WCNVCOQXEJUMED-FZMZJTMJSA-N 1 0 317.393 2.309 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748444 649637951 /nfs/dbraw/zinc/63/79/51/649637951.db2.gz CDVTYKOKLCNSBK-GJZGRUSLSA-N 1 0 319.449 2.026 20 10 DECDRO CCc1ccnc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832267180 649690460 /nfs/dbraw/zinc/69/04/60/649690460.db2.gz NUJCADGGHHNTNJ-MRXNPFEDSA-N 1 0 312.417 2.140 20 10 DECDRO Cc1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000832267562 649690668 /nfs/dbraw/zinc/69/06/68/649690668.db2.gz VPTAADHTOHTSDZ-CQSZACIVSA-N 1 0 318.446 2.256 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2scnc2Cl)cc1 ZINC000832279620 649691913 /nfs/dbraw/zinc/69/19/13/649691913.db2.gz KVXPGQLRHNRVPI-LLVKDONJSA-N 1 0 324.837 2.292 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnc(Cl)c2)cc1 ZINC000832293352 649693358 /nfs/dbraw/zinc/69/33/58/649693358.db2.gz VJMMALVZAZKBBH-CQSZACIVSA-N 1 0 318.808 2.231 20 10 DECDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834491723 649807151 /nfs/dbraw/zinc/80/71/51/649807151.db2.gz FKRWYNQQDCGKJV-JKSUJKDBSA-N 1 0 304.434 2.326 20 10 DECDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000844177322 651087260 /nfs/dbraw/zinc/08/72/60/651087260.db2.gz IYHNUWBFFORTDV-XJKSGUPXSA-N 1 0 301.434 2.073 20 10 DECDRO COc1cccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1O ZINC000846010439 651301385 /nfs/dbraw/zinc/30/13/85/651301385.db2.gz HGQKHOCXEKOQPK-IBGZPJMESA-N 1 0 313.397 2.367 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(Cn3cnnc3)CC2)c1O ZINC000846055613 651304953 /nfs/dbraw/zinc/30/49/53/651304953.db2.gz IDFHTXOFCLTRPT-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000846165664 651312187 /nfs/dbraw/zinc/31/21/87/651312187.db2.gz QIXMPADDMJEDPL-DOMZBBRYSA-N 1 0 309.406 2.229 20 10 DECDRO C[N@H+](CC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCSC1 ZINC000846478110 651332744 /nfs/dbraw/zinc/33/27/44/651332744.db2.gz ZNUJHQSCJHGPLA-LBPRGKRZSA-N 1 0 314.838 2.099 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCCC(=O)N(C)C)CC2)cc1 ZINC000846778459 651351193 /nfs/dbraw/zinc/35/11/93/651351193.db2.gz WPAIKENUKQTRGC-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO CCN(C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846804619 651353205 /nfs/dbraw/zinc/35/32/05/651353205.db2.gz NTAATSDWSJGPCO-QGZVFWFLSA-N 1 0 306.450 2.449 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848415032 651457271 /nfs/dbraw/zinc/45/72/71/651457271.db2.gz QMYJMZXNRJYYPT-WMZOPIPTSA-N 1 0 301.434 2.067 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563574 651471726 /nfs/dbraw/zinc/47/17/26/651471726.db2.gz VICTWZWMRRQGFV-HRCADAONSA-N 1 0 305.466 2.340 20 10 DECDRO CCc1cccc(C[NH2+]CC(=O)NCCc2ccccc2)c1O ZINC000848895256 651549358 /nfs/dbraw/zinc/54/93/58/651549358.db2.gz KYLCWWPYXBUOGP-UHFFFAOYSA-N 1 0 312.413 2.403 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1O ZINC000848899019 651551563 /nfs/dbraw/zinc/55/15/63/651551563.db2.gz IRHDHDMDKRANRR-INIZCTEOSA-N 1 0 322.449 2.222 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000848917036 651559973 /nfs/dbraw/zinc/55/99/73/651559973.db2.gz ZYNXIHANGIVUSO-QGZVFWFLSA-N 1 0 323.458 2.355 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000848917035 651560047 /nfs/dbraw/zinc/56/00/47/651560047.db2.gz ZYNXIHANGIVUSO-KRWDZBQOSA-N 1 0 323.458 2.355 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000848922090 651562121 /nfs/dbraw/zinc/56/21/21/651562121.db2.gz LXQBSYZHAOYYCW-MRXNPFEDSA-N 1 0 312.369 2.444 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000854949460 651596305 /nfs/dbraw/zinc/59/63/05/651596305.db2.gz VXMLYABLYVMHCS-AWEZNQCLSA-N 1 0 303.450 2.202 20 10 DECDRO CC(C)NC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000849069022 651597069 /nfs/dbraw/zinc/59/70/69/651597069.db2.gz HDZVJJIHUQIWKR-STQMWFEESA-N 1 0 322.428 2.462 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855289841 651666649 /nfs/dbraw/zinc/66/66/49/651666649.db2.gz VSYXRKPUYXHESQ-IYNGYCSASA-N 1 0 304.390 2.100 20 10 DECDRO COc1cc(C[NH2+][C@H]2CCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000850101341 651828402 /nfs/dbraw/zinc/82/84/02/651828402.db2.gz IUAPSQMEBAUKKU-AWEZNQCLSA-N 1 0 306.406 2.067 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCNC2=O)cc1 ZINC000850343423 651903925 /nfs/dbraw/zinc/90/39/25/651903925.db2.gz NSXKQSZELNZGJL-INIZCTEOSA-N 1 0 315.442 2.363 20 10 DECDRO COc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1C ZINC000850342449 651903970 /nfs/dbraw/zinc/90/39/70/651903970.db2.gz JQUAQWVVDPGIOS-UHFFFAOYSA-N 1 0 311.447 2.308 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850371044 651913382 /nfs/dbraw/zinc/91/33/82/651913382.db2.gz TXZZYXQTJARHKL-ATQQARJTSA-N 1 0 322.474 2.321 20 10 DECDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1O ZINC000850400244 651920833 /nfs/dbraw/zinc/92/08/33/651920833.db2.gz CIPJHZZHAXOLSH-SFHVURJKSA-N 1 0 323.433 2.448 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000850397631 651920871 /nfs/dbraw/zinc/92/08/71/651920871.db2.gz ZQRDOHPMTNXJAA-ZDUSSCGKSA-N 1 0 310.825 2.389 20 10 DECDRO Cc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c(O)c1O ZINC000856415802 651924272 /nfs/dbraw/zinc/92/42/72/651924272.db2.gz JAWHLTKSZLYAAZ-UHFFFAOYSA-N 1 0 318.417 2.258 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000850500305 651940285 /nfs/dbraw/zinc/94/02/85/651940285.db2.gz FSERDYPQGFNBJU-UONOGXRCSA-N 1 0 311.445 2.454 20 10 DECDRO C[C@H]([NH2+]CCOC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000850521467 651945074 /nfs/dbraw/zinc/94/50/74/651945074.db2.gz IZZVSSXTCGFKOO-LBPRGKRZSA-N 1 0 300.349 2.413 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@@H]3COC(C)(C)O3)CC2)cc1 ZINC000851733470 652219888 /nfs/dbraw/zinc/21/98/88/652219888.db2.gz WSWSNBDLGUVFPN-QGZVFWFLSA-N 1 0 320.433 2.359 20 10 DECDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858101101 652254019 /nfs/dbraw/zinc/25/40/19/652254019.db2.gz ZGDPVQMGTVVDFH-LLVKDONJSA-N 1 0 311.376 2.131 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000858190740 652275363 /nfs/dbraw/zinc/27/53/63/652275363.db2.gz NDRVETOKVNLDDJ-HUUCEWRRSA-N 1 0 303.406 2.127 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000858190738 652275807 /nfs/dbraw/zinc/27/58/07/652275807.db2.gz NDRVETOKVNLDDJ-CABCVRRESA-N 1 0 303.406 2.127 20 10 DECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858331151 652309203 /nfs/dbraw/zinc/30/92/03/652309203.db2.gz QTYKLOCJZSWQNC-GASCZTMLSA-N 1 0 308.397 2.177 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c(O)c1 ZINC000858343372 652313757 /nfs/dbraw/zinc/31/37/57/652313757.db2.gz YZJIUJKJYOCPFA-OAHLLOKOSA-N 1 0 304.390 2.034 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852636321 652431242 /nfs/dbraw/zinc/43/12/42/652431242.db2.gz RQDJYRPQOHUJOH-HZPDHXFCSA-N 1 0 301.434 2.053 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000852802325 652459293 /nfs/dbraw/zinc/45/92/93/652459293.db2.gz MSVQRZBERWSNQC-NSHDSACASA-N 1 0 312.369 2.495 20 10 DECDRO Cc1cc(C(=O)NCC2([NH3+])CCCC2)c(C)n1-c1ccccn1 ZINC000852853077 652470025 /nfs/dbraw/zinc/47/00/25/652470025.db2.gz RFZCURQTAVVAFO-UHFFFAOYSA-N 1 0 312.417 2.490 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000852882639 652474732 /nfs/dbraw/zinc/47/47/32/652474732.db2.gz NKWDGLCFDRPVTA-UHFFFAOYSA-N 1 0 301.434 2.386 20 10 DECDRO C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000854230592 652662933 /nfs/dbraw/zinc/66/29/33/652662933.db2.gz VFDSGORCCKRRGM-DNVCBOLYSA-N 1 0 317.477 2.268 20 10 DECDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001356596408 1152094181 /nfs/dbraw/zinc/09/41/81/1152094181.db2.gz NAOHILTWLIEDTN-KFWWJZLASA-N 1 0 318.465 2.434 20 10 DECDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000305110032 685275889 /nfs/dbraw/zinc/27/58/89/685275889.db2.gz FLURVMRWGYDWOO-HNNXBMFYSA-N 1 0 304.434 2.479 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000393748190 685453818 /nfs/dbraw/zinc/45/38/18/685453818.db2.gz LYDVJPRXHCBKFA-GFCCVEGCSA-N 1 0 302.349 2.498 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000858589955 685564223 /nfs/dbraw/zinc/56/42/23/685564223.db2.gz DSEBYLHXZNVYDR-SLEUVZQESA-N 1 0 301.346 2.191 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000076276062 683941766 /nfs/dbraw/zinc/94/17/66/683941766.db2.gz NFDNMBPIGQGYQE-LLVKDONJSA-N 1 0 316.195 2.432 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCN(CCOC(C)C)CC2)c1 ZINC000093586773 684050985 /nfs/dbraw/zinc/05/09/85/684050985.db2.gz NUGYMMTYTCJYFM-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3([NH+](C)C)CCC3)ccc21 ZINC000119721975 684085850 /nfs/dbraw/zinc/08/58/50/684085850.db2.gz SVCZKYLWOVFAFA-UHFFFAOYSA-N 1 0 301.434 2.170 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC1CCOCC1 ZINC000119965844 684090104 /nfs/dbraw/zinc/09/01/04/684090104.db2.gz LGNMAYCXUQTSFB-MRXNPFEDSA-N 1 0 323.433 2.161 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](CCOC)CC2)cc1 ZINC000120890273 684102231 /nfs/dbraw/zinc/10/22/31/684102231.db2.gz LLSNXHQHLYQKIM-UHFFFAOYSA-N 1 0 305.466 2.297 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[NH+](C2CC2)CC1 ZINC000127874033 684166503 /nfs/dbraw/zinc/16/65/03/684166503.db2.gz VTYXDHXEZVQTNP-UHFFFAOYSA-N 1 0 311.223 2.435 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000132753550 684212621 /nfs/dbraw/zinc/21/26/21/684212621.db2.gz CXLUQGMYUQFLPA-ZDUSSCGKSA-N 1 0 306.406 2.310 20 10 DECDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000160113729 684327100 /nfs/dbraw/zinc/32/71/00/684327100.db2.gz NUNXEQXZFSLMMD-UHFFFAOYSA-N 1 0 300.406 2.029 20 10 DECDRO COc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2C)c1O ZINC000188924239 684367065 /nfs/dbraw/zinc/36/70/65/684367065.db2.gz OUGXZQVVZMGYOI-MRXNPFEDSA-N 1 0 301.386 2.402 20 10 DECDRO COc1ccc(N2CC[NH+](CCO[C@H]3CCCCO3)CC2)cc1 ZINC000195229701 685091090 /nfs/dbraw/zinc/09/10/90/685091090.db2.gz VZBNQOYULVXNDV-SFHVURJKSA-N 1 0 320.433 2.360 20 10 DECDRO Cc1cc(C)c(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000249090114 685174227 /nfs/dbraw/zinc/17/42/27/685174227.db2.gz GPUUFCOKQCQBEJ-OAHLLOKOSA-N 1 0 306.450 2.286 20 10 DECDRO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000859257698 685693272 /nfs/dbraw/zinc/69/32/72/685693272.db2.gz DIZJRLFNGGTHEV-GFCCVEGCSA-N 1 0 314.389 2.180 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000861562442 686145401 /nfs/dbraw/zinc/14/54/01/686145401.db2.gz XRBLSZQCDLTKIB-HOCLYGCPSA-N 1 0 318.465 2.473 20 10 DECDRO C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861684604 686169402 /nfs/dbraw/zinc/16/94/02/686169402.db2.gz GSVHVRSXBMFNGL-HIFRSBDPSA-N 1 0 304.438 2.035 20 10 DECDRO C[C@@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[NH2+]1 ZINC000861686299 686170473 /nfs/dbraw/zinc/17/04/73/686170473.db2.gz NKNYHUBCNDMBOC-OCCSQVGLSA-N 1 0 317.433 2.211 20 10 DECDRO C[NH+]1CCC(CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862027009 686225682 /nfs/dbraw/zinc/22/56/82/686225682.db2.gz GTVWJEPTYWZXCN-UHFFFAOYSA-N 1 0 313.401 2.289 20 10 DECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862028364 686226381 /nfs/dbraw/zinc/22/63/81/686226381.db2.gz WQYWRCZCKBYREO-OAHLLOKOSA-N 1 0 313.401 2.431 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000862383957 686287148 /nfs/dbraw/zinc/28/71/48/686287148.db2.gz HQFVJVTWFQIARB-GFCCVEGCSA-N 1 0 322.149 2.357 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1F ZINC000862426413 686299559 /nfs/dbraw/zinc/29/95/59/686299559.db2.gz DPFWAHYRWKERES-KRWDZBQOSA-N 1 0 310.413 2.255 20 10 DECDRO CC[N@H+](CC[N+](=O)[O-])Cc1cc(Br)ccc1O ZINC000929755819 694020267 /nfs/dbraw/zinc/02/02/67/694020267.db2.gz RLPOCGXPIIVVTP-UHFFFAOYSA-N 1 0 303.156 2.253 20 10 DECDRO Fc1cc(CN[C@H]2CC[NH2+]C23CCC3)ccc1N1CCOCC1 ZINC000863481513 686508015 /nfs/dbraw/zinc/50/80/15/686508015.db2.gz FVJKKERWLIEJPV-KRWDZBQOSA-N 1 0 319.424 2.037 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1C ZINC000865682665 687300243 /nfs/dbraw/zinc/30/02/43/687300243.db2.gz IXGUEJMOKABETJ-ZDUSSCGKSA-N 1 0 314.311 2.488 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000865682515 687300357 /nfs/dbraw/zinc/30/03/57/687300357.db2.gz NJQTWFNCKQGYQT-GFCCVEGCSA-N 1 0 300.284 2.185 20 10 DECDRO Cc1cc(O)c(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1C ZINC000865686785 687301829 /nfs/dbraw/zinc/30/18/29/687301829.db2.gz ISYFXNJPFZXRIS-UHFFFAOYSA-N 1 0 316.405 2.311 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@@H](O)C(F)F)ccc1OC ZINC000865689101 687303456 /nfs/dbraw/zinc/30/34/56/687303456.db2.gz WKJGYPMAEJWCPS-CYBMUJFWSA-N 1 0 303.349 2.337 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000866097731 687444010 /nfs/dbraw/zinc/44/40/10/687444010.db2.gz LYMLELZBFXVCSC-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018325127 688110201 /nfs/dbraw/zinc/11/02/01/688110201.db2.gz NJYKUVKYSSVOCJ-OKILXGFUSA-N 1 0 315.377 2.158 20 10 DECDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000870574307 688598984 /nfs/dbraw/zinc/59/89/84/688598984.db2.gz YGPMXERETVKOIC-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870888957 688678593 /nfs/dbraw/zinc/67/85/93/688678593.db2.gz UUJVFFFBKGMNLP-UHFFFAOYSA-N 1 0 301.434 2.209 20 10 DECDRO CN1CCCC[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1=O ZINC000872674280 689062770 /nfs/dbraw/zinc/06/27/70/689062770.db2.gz PTNOQZBLZLIJHJ-MRXNPFEDSA-N 1 0 313.401 2.383 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)CC(C)C)cc1Cn1cccn1 ZINC000873029956 689144387 /nfs/dbraw/zinc/14/43/87/689144387.db2.gz WTMRDURTEPMOIJ-KRWDZBQOSA-N 1 0 317.433 2.437 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNCc3ccon3)cc2F)CC1 ZINC000873047899 689148137 /nfs/dbraw/zinc/14/81/37/689148137.db2.gz HYJIIHZIWNFHRD-UHFFFAOYSA-N 1 0 318.396 2.245 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873062771 689151577 /nfs/dbraw/zinc/15/15/77/689151577.db2.gz ZRLUPUZOTVARPE-HOCLYGCPSA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873062769 689151834 /nfs/dbraw/zinc/15/18/34/689151834.db2.gz ZRLUPUZOTVARPE-GDBMZVCRSA-N 1 0 315.417 2.455 20 10 DECDRO COCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873132615 689165728 /nfs/dbraw/zinc/16/57/28/689165728.db2.gz ADXLEIVPHJTTRS-UHFFFAOYSA-N 1 0 315.417 2.456 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1C ZINC000873132574 689165780 /nfs/dbraw/zinc/16/57/80/689165780.db2.gz YEDBMXDYOSLJKT-OAHLLOKOSA-N 1 0 315.421 2.265 20 10 DECDRO C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C[NH+](C)C ZINC000875361723 689612946 /nfs/dbraw/zinc/61/29/46/689612946.db2.gz UDCSFHHMYILLDB-LBPRGKRZSA-N 1 0 305.422 2.394 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCC23CC3)cc1 ZINC000876507087 689841980 /nfs/dbraw/zinc/84/19/80/689841980.db2.gz VGYIRFSXQYXAPS-HZPDHXFCSA-N 1 0 301.434 2.449 20 10 DECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571771 689861756 /nfs/dbraw/zinc/86/17/56/689861756.db2.gz QAQNZLHUXRBXBH-MJRJWQSSSA-N 1 0 301.346 2.040 20 10 DECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCCSc1nccs1 ZINC000876661069 689893117 /nfs/dbraw/zinc/89/31/17/689893117.db2.gz ASPUUAVENHOTLU-ZYOFXKKJSA-N 1 0 311.476 2.297 20 10 DECDRO Cc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(O)c1 ZINC000876770116 689932766 /nfs/dbraw/zinc/93/27/66/689932766.db2.gz JAZCCGWSJXGXCP-UHFFFAOYSA-N 1 0 303.406 2.080 20 10 DECDRO Cc1cccc(O)c1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000876877523 689962131 /nfs/dbraw/zinc/96/21/31/689962131.db2.gz WQVWUXYGMVQRDJ-UHFFFAOYSA-N 1 0 312.417 2.460 20 10 DECDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877182897 690039551 /nfs/dbraw/zinc/03/95/51/690039551.db2.gz UKSWERSDJYDTMR-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000877200329 690043624 /nfs/dbraw/zinc/04/36/24/690043624.db2.gz JQJNHSPXMRVFMS-UHFFFAOYSA-N 1 0 303.450 2.438 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000877501996 690133585 /nfs/dbraw/zinc/13/35/85/690133585.db2.gz YAUVDOHCOXBMHC-INIZCTEOSA-N 1 0 304.434 2.245 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000877531998 690143169 /nfs/dbraw/zinc/14/31/69/690143169.db2.gz AZQSNUMATWZXDZ-PXAZEXFGSA-N 1 0 309.406 2.493 20 10 DECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877667341 690184500 /nfs/dbraw/zinc/18/45/00/690184500.db2.gz NMAALXPIMNFEKH-INIZCTEOSA-N 1 0 306.450 2.288 20 10 DECDRO OCCC1(CCO)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000877689587 690192415 /nfs/dbraw/zinc/19/24/15/690192415.db2.gz ANRMGJKNRARMFO-UHFFFAOYSA-N 1 0 313.825 2.393 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693873 690193759 /nfs/dbraw/zinc/19/37/59/690193759.db2.gz SWXBGKMJDMMAKT-KSBSHMNSSA-N 1 0 313.703 2.456 20 10 DECDRO CONC(=O)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000877785755 690228896 /nfs/dbraw/zinc/22/88/96/690228896.db2.gz FJAADWNWKQJIQX-SNAWJCMRSA-N 1 0 317.433 2.155 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC000878359889 690387342 /nfs/dbraw/zinc/38/73/42/690387342.db2.gz DBGSHRCRNOUQBE-KBPBESRZSA-N 1 0 323.433 2.498 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCO[C@H]3C)CC2)c(OC)c1 ZINC000879461806 690646643 /nfs/dbraw/zinc/64/66/43/690646643.db2.gz NALRYFBOOQMEFR-GJZGRUSLSA-N 1 0 320.433 2.251 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1O ZINC000879649696 690699446 /nfs/dbraw/zinc/69/94/46/690699446.db2.gz SUBDYBJFBZZOED-LLVKDONJSA-N 1 0 324.402 2.086 20 10 DECDRO CCC[C@H]([NH3+])c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996095 691010684 /nfs/dbraw/zinc/01/06/84/691010684.db2.gz OKVDCEVEUWEUMR-ZDUSSCGKSA-N 1 0 306.341 2.174 20 10 DECDRO CCN(C)c1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000881314026 691070543 /nfs/dbraw/zinc/07/05/43/691070543.db2.gz 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ZINC001172772819 793497699 /nfs/dbraw/zinc/49/76/99/793497699.db2.gz OUWRNQZAWXEVNH-AAEUAGOBSA-N 1 0 323.389 2.057 20 10 DECDRO COCC(=O)NCCCCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001177667291 794721098 /nfs/dbraw/zinc/72/10/98/794721098.db2.gz DOVJMWUEVSFKLQ-UHFFFAOYSA-N 1 0 322.449 2.416 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2CCCOCC2)ccc1N1CCOCC1 ZINC001178326145 794901404 /nfs/dbraw/zinc/90/14/04/794901404.db2.gz BRZDMWLSYPKGLE-OAHLLOKOSA-N 1 0 308.397 2.321 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](CO)c1cnn(C)c1 ZINC001116567151 794969633 /nfs/dbraw/zinc/96/96/33/794969633.db2.gz BIYZVKONPSNQRZ-MRVWCRGKSA-N 1 0 301.390 2.306 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(C(N)=O)CCOCC1 ZINC001116565330 794969814 /nfs/dbraw/zinc/96/98/14/794969814.db2.gz PMZBGPFEISNMEP-QWHCGFSZSA-N 1 0 318.417 2.121 20 10 DECDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001116753259 794984415 /nfs/dbraw/zinc/98/44/15/794984415.db2.gz NVOJOLAQBSGSTM-RYUDHWBXSA-N 1 0 313.781 2.486 20 10 DECDRO O=C(C=Cc1ccc(O)c(O)c1)NCCc1c[nH]c2cc[nH+]cc12 ZINC001179691401 795154325 /nfs/dbraw/zinc/15/43/25/795154325.db2.gz MXBVHBQQHDIIBE-DUXPYHPUSA-N 1 0 323.352 2.346 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N(CC[NH3+])c2cccnc2)cc1 ZINC001180129870 795238438 /nfs/dbraw/zinc/23/84/38/795238438.db2.gz KWHZNLJKANBJQI-JXMROGBWSA-N 1 0 310.401 2.153 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N[C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001180130375 795238710 /nfs/dbraw/zinc/23/87/10/795238710.db2.gz LDIQVPPZKOETCK-MZEUMTGBSA-N 1 0 301.434 2.366 20 10 DECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180125569 795245690 /nfs/dbraw/zinc/24/56/90/795245690.db2.gz IXVQIKBRKSTXRE-QBKVNLCDSA-N 1 0 301.434 2.317 20 10 DECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N)cc1 ZINC001120677695 795512129 /nfs/dbraw/zinc/51/21/29/795512129.db2.gz XCCLBRGZKXFUPO-MRXNPFEDSA-N 1 0 304.438 2.285 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001181976431 795586561 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ZINC001138357471 796203876 /nfs/dbraw/zinc/20/38/76/796203876.db2.gz FXOABDGAQZKBAN-QGZVFWFLSA-N 1 0 301.434 2.170 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001138540941 796231692 /nfs/dbraw/zinc/23/16/92/796231692.db2.gz FVYYXBYPBQAQLH-CHWSQXEVSA-N 1 0 303.366 2.062 20 10 DECDRO CC[C@@]12C[C@@H](CO1)N(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C2 ZINC001139259330 796351827 /nfs/dbraw/zinc/35/18/27/796351827.db2.gz RKRFYIPBBVJCBQ-YJBOKZPZSA-N 1 0 320.433 2.216 20 10 DECDRO Cc1cnc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)nc1 ZINC001140185566 796488542 /nfs/dbraw/zinc/48/85/42/796488542.db2.gz ZEWSUFBXJXCCCQ-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140281511 796500962 /nfs/dbraw/zinc/50/09/62/796500962.db2.gz HXPOYTRTRYYHKP-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc2)CC1 ZINC001140287053 796502724 /nfs/dbraw/zinc/50/27/24/796502724.db2.gz DXWHRVOZGOWJFG-NNZMDNLPSA-N 1 0 304.409 2.295 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC001140302667 796503146 /nfs/dbraw/zinc/50/31/46/796503146.db2.gz XCOFCUWOEAYMJR-INIZCTEOSA-N 1 0 315.461 2.239 20 10 DECDRO O=C1[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]2CN1CC1CC1 ZINC001140339565 796509052 /nfs/dbraw/zinc/50/90/52/796509052.db2.gz XOAOFSFJDVRSEY-STQMWFEESA-N 1 0 320.820 2.346 20 10 DECDRO CN(C)C(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342675 796510176 /nfs/dbraw/zinc/51/01/76/796510176.db2.gz UCYNUHZJWXZFAF-UHFFFAOYSA-N 1 0 311.813 2.281 20 10 DECDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749063 796567286 /nfs/dbraw/zinc/56/72/86/796567286.db2.gz PXQBUKPDSFMPFT-UHFFFAOYSA-N 1 0 322.405 2.459 20 10 DECDRO CC[N@H+](Cc1ccccc1O)Cc1c(CO)cnc(C)c1O ZINC001140870319 796587099 /nfs/dbraw/zinc/58/70/99/796587099.db2.gz LRRDVBFCANQNPM-UHFFFAOYSA-N 1 0 302.374 2.316 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC001141027347 796620064 /nfs/dbraw/zinc/62/00/64/796620064.db2.gz 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/nfs/dbraw/zinc/64/22/48/796642248.db2.gz PAIKSHSJUHJGIV-WMZOPIPTSA-N 1 0 319.401 2.258 20 10 DECDRO CC[C@@H]1[N@H+](Cc2cc(O)ccc2O)CCC[C@]12CCC(=O)N2C ZINC001141159751 796642260 /nfs/dbraw/zinc/64/22/60/796642260.db2.gz JZFNBXKGSPBHOP-WMZOPIPTSA-N 1 0 318.417 2.463 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CC[NH2+]1 ZINC000841857195 796744816 /nfs/dbraw/zinc/74/48/16/796744816.db2.gz NSTCJFZNKOAERK-MNOVXSKESA-N 1 0 314.480 2.065 20 10 DECDRO CN1CCC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)C1=O ZINC001143117235 796803191 /nfs/dbraw/zinc/80/31/91/796803191.db2.gz YZISDWJWLJIMQO-UHFFFAOYSA-N 1 0 302.418 2.354 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1O ZINC001150543761 796951690 /nfs/dbraw/zinc/95/16/90/796951690.db2.gz SKQMHDKWZYLNPN-JSGCOSHPSA-N 1 0 306.406 2.137 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)ncn3)cc2)CC1 ZINC001156652424 798053220 /nfs/dbraw/zinc/05/32/20/798053220.db2.gz XIWBIQKRAKAMGT-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO Cc1cccc(CNc2nccc(N3CCC([NH3+])CC3)n2)c1O ZINC001160769615 798738244 /nfs/dbraw/zinc/73/82/44/798738244.db2.gz JKTNKRNNDCSSML-UHFFFAOYSA-N 1 0 313.405 2.030 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000123728463 799142840 /nfs/dbraw/zinc/14/28/40/799142840.db2.gz OPJRBEZSVUHLGX-MFKMUULPSA-N 1 0 305.296 2.288 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1 ZINC000932770035 799928375 /nfs/dbraw/zinc/92/83/75/799928375.db2.gz CBGCMZBQQKWHSB-MRXNPFEDSA-N 1 0 303.406 2.073 20 10 DECDRO Oc1ccccc1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001203551936 800078239 /nfs/dbraw/zinc/07/82/39/800078239.db2.gz UFKJONMDPJNPQG-UHFFFAOYSA-N 1 0 324.428 2.383 20 10 DECDRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4ccccc4O)C[C@@H]3C2)nn1 ZINC001203552044 800078436 /nfs/dbraw/zinc/07/84/36/800078436.db2.gz YHRFPFQCFPMLJQ-NVXWUHKLSA-N 1 0 324.428 2.449 20 10 DECDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccccc2O)C1 ZINC001203552136 800079539 /nfs/dbraw/zinc/07/95/39/800079539.db2.gz 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COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204274268 800198383 /nfs/dbraw/zinc/19/83/83/800198383.db2.gz LMEVGPVLICCDRW-SJORKVTESA-N 1 0 307.390 2.115 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001204276326 800199281 /nfs/dbraw/zinc/19/92/81/800199281.db2.gz KOFDGLHQOWIUKP-RNCFNFMXSA-N 1 0 305.296 2.233 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276300 800199359 /nfs/dbraw/zinc/19/93/59/800199359.db2.gz JTESVTIPKNDOJO-STQMWFEESA-N 1 0 323.286 2.325 20 10 DECDRO CC(=O)N1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320454 800204553 /nfs/dbraw/zinc/20/45/53/800204553.db2.gz ZTAVSULWCWYGHW-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000935464926 800669093 /nfs/dbraw/zinc/66/90/93/800669093.db2.gz NQNKYOYSMRCEHZ-AWEZNQCLSA-N 1 0 319.449 2.041 20 10 DECDRO COCCOc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001207894119 800859162 /nfs/dbraw/zinc/85/91/62/800859162.db2.gz AIHRBHCNPQDQLF-SFHVURJKSA-N 1 0 320.433 2.013 20 10 DECDRO COCCCC[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001209219958 801154654 /nfs/dbraw/zinc/15/46/54/801154654.db2.gz UBHABJMKSHOGFF-UHFFFAOYSA-N 1 0 322.449 2.260 20 10 DECDRO COCCOc1ccc(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)cc1 ZINC001209433828 801191597 /nfs/dbraw/zinc/19/15/97/801191597.db2.gz VORBSGLRLPOWLY-HZPDHXFCSA-N 1 0 304.434 2.490 20 10 DECDRO F[C@@H]1C[NH2+]CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001210580897 801426365 /nfs/dbraw/zinc/42/63/65/801426365.db2.gz MYPQWKPGVHEIPM-QGZVFWFLSA-N 1 0 303.425 2.129 20 10 DECDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1O ZINC001231592880 801692126 /nfs/dbraw/zinc/69/21/26/801692126.db2.gz LGIFASKMGHXBFT-PHZGNYQRSA-N 1 0 314.429 2.437 20 10 DECDRO COC[C@H]1C[N@H+](Cc2cccc(C)c2O)Cc2cn(C)nc21 ZINC001231592541 801692434 /nfs/dbraw/zinc/69/24/34/801692434.db2.gz SMAPYSAQUVGRGB-OAHLLOKOSA-N 1 0 301.390 2.180 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)cc1O ZINC001231636569 801700206 /nfs/dbraw/zinc/70/02/06/801700206.db2.gz YHMZRGHPXRYDLK-LBPRGKRZSA-N 1 0 300.358 2.491 20 10 DECDRO COc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)c(O)cc1O ZINC001231637637 801701948 /nfs/dbraw/zinc/70/19/48/801701948.db2.gz PDNGRGVNVPSDKX-UHFFFAOYSA-N 1 0 319.361 2.177 20 10 DECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231857355 801738444 /nfs/dbraw/zinc/73/84/44/801738444.db2.gz HQPLDJVNSKQAAN-OAHLLOKOSA-N 1 0 319.449 2.252 20 10 DECDRO COc1cc(N(C)C)ccc1CN1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001231858776 801738657 /nfs/dbraw/zinc/73/86/57/801738657.db2.gz ZHZPULBSIDIWAH-RHSMWYFYSA-N 1 0 303.450 2.287 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccc2ccccc2c1O ZINC001231880451 801744280 /nfs/dbraw/zinc/74/42/80/801744280.db2.gz GEDBJPPSHGJRNZ-MRXNPFEDSA-N 1 0 300.402 2.308 20 10 DECDRO COC(=O)c1c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c2ccccc2n1C ZINC001232401890 801871229 /nfs/dbraw/zinc/87/12/29/801871229.db2.gz FSEIBZZXFPFMKE-STQMWFEESA-N 1 0 316.401 2.310 20 10 DECDRO CCOC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)cc1O ZINC001232840084 801969318 /nfs/dbraw/zinc/96/93/18/801969318.db2.gz MDXCKZLWWGEFOM-OAHLLOKOSA-N 1 0 306.406 2.376 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840057 801969625 /nfs/dbraw/zinc/96/96/25/801969625.db2.gz LKCXOBUZZKXBSC-JSGCOSHPSA-N 1 0 306.406 2.089 20 10 DECDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1C ZINC001233014948 802002423 /nfs/dbraw/zinc/00/24/23/802002423.db2.gz CCAHFWAUJCHARD-AAEUAGOBSA-N 1 0 323.389 2.215 20 10 DECDRO COc1ccccc1CC[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233012693 802002444 /nfs/dbraw/zinc/00/24/44/802002444.db2.gz MNNWGUAPWXZGMD-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)CC[C@H]21 ZINC001233336372 802080715 /nfs/dbraw/zinc/08/07/15/802080715.db2.gz JPAIWHSFHYAHMC-GXFFZTMASA-N 1 0 310.344 2.113 20 10 DECDRO O=C1NCC[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233452142 802121795 /nfs/dbraw/zinc/12/17/95/802121795.db2.gz LZOUYHWTWGLTPJ-AWEZNQCLSA-N 1 0 314.307 2.123 20 10 DECDRO COc1ccc2c(c1)C[N@@H+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233482941 802126923 /nfs/dbraw/zinc/12/69/23/802126923.db2.gz IDYLAYREIDJKBG-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO COc1ccc(CC[N@H+](C)Cc2cc(O)c(O)cc2O)cc1 ZINC001233486049 802126943 /nfs/dbraw/zinc/12/69/43/802126943.db2.gz WFQKAFXEHAESAM-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO CCC(=O)N(CC)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487158 802127671 /nfs/dbraw/zinc/12/76/71/802127671.db2.gz SFKUKXMIOLHYNW-UHFFFAOYSA-N 1 0 322.405 2.026 20 10 DECDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CCC[NH2+]C1 ZINC001218284201 802163648 /nfs/dbraw/zinc/16/36/48/802163648.db2.gz WUTLVRYRIHYKEL-NSHDSACASA-N 1 0 323.348 2.298 20 10 DECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@]3(CCCCN3)C2)c1O ZINC001222692295 802729366 /nfs/dbraw/zinc/72/93/66/802729366.db2.gz ORQKYUJDAVDGQJ-QGZVFWFLSA-N 1 0 323.868 2.272 20 10 DECDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335166757 1150380953 /nfs/dbraw/zinc/38/09/53/1150380953.db2.gz ISAKCXMEWNWDQY-MRXNPFEDSA-N 1 0 323.456 2.218 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593256293 994519992 /nfs/dbraw/zinc/51/99/92/994519992.db2.gz HEKPNVDLTMTDAY-NWDGAFQWSA-N 1 0 304.390 2.225 20 10 DECDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCN3)C1 ZINC001522358616 1069345989 /nfs/dbraw/zinc/34/59/89/1069345989.db2.gz OMJYLEFXMLCCLL-ZDUSSCGKSA-N 1 0 307.397 2.432 20 10 DECDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3c(O)cccc3F)C[N@@H+]2C1 ZINC001529018835 1070815906 /nfs/dbraw/zinc/81/59/06/1070815906.db2.gz VONSFDOPIUNCPQ-UPJWGTAASA-N 1 0 306.381 2.268 20 10 DECDRO CCOC(=O)/C=C/C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473610090 1060701474 /nfs/dbraw/zinc/70/14/74/1060701474.db2.gz KWGZPWHVRXOHMH-VOTSOKGWSA-N 1 0 306.406 2.183 20 10 DECDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001474030690 1060799769 /nfs/dbraw/zinc/79/97/69/1060799769.db2.gz LWYNXCVXJBTYRP-MRXNPFEDSA-N 1 0 303.450 2.097 20 10 DECDRO COc1cc(C)c(C[NH2+]CCc2ccnc(OC)c2)c(O)c1 ZINC001474659835 1060912924 /nfs/dbraw/zinc/91/29/24/1060912924.db2.gz UFXDJEZQPQIGGX-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO CCC[N@H+](CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493064022 1063525551 /nfs/dbraw/zinc/52/55/51/1063525551.db2.gz PEATWXNCFWQPKE-UHFFFAOYSA-N 1 0 305.382 2.311 20 10 DECDRO COCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001495216177 1064766904 /nfs/dbraw/zinc/76/69/04/1064766904.db2.gz KYQJGZGXSAMQGS-SFHVURJKSA-N 1 0 320.433 2.025 20 10 DECDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c(O)c1 ZINC001621379207 1078173391 /nfs/dbraw/zinc/17/33/91/1078173391.db2.gz LNJPRCLNKQEPJB-DLBZAZTESA-N 1 0 310.397 2.402 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001627689739 1078281101 /nfs/dbraw/zinc/28/11/01/1078281101.db2.gz PBXFCIVUGKUNDA-HNNXBMFYSA-N 1 0 307.413 2.111 20 10 DECDRO C[C@@H](CC[NH+](C)C)C(=O)NCCCSc1nccs1 ZINC001628326099 1078295671 /nfs/dbraw/zinc/29/56/71/1078295671.db2.gz QGMNUSRJYSVHNU-NSHDSACASA-N 1 0 301.481 2.329 20 10 DECDRO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(N(C)C)cc1 ZINC001576186932 1066515954 /nfs/dbraw/zinc/51/59/54/1066515954.db2.gz VVXWWPVBKFKHOX-AFAVFJNCSA-N 1 0 301.434 2.460 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC001577939551 1066956525 /nfs/dbraw/zinc/95/65/25/1066956525.db2.gz KXNQWXRCCFVJGS-YVEFUNNKSA-N 1 0 311.422 2.402 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc3c(n2)CCC3)cc1 ZINC001578424750 1067096171 /nfs/dbraw/zinc/09/61/71/1067096171.db2.gz UQIIZQZUYUISNZ-GOSISDBHSA-N 1 0 310.445 2.426 20 10 DECDRO CN(C)c1ccc(CN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H]3C[C@@H]32)C2CC2)cc1 ZINC001578425594 1067096441 /nfs/dbraw/zinc/09/64/41/1067096441.db2.gz HJOIUADFXHAUQC-XWTMOSNGSA-N 1 0 313.445 2.227 20 10 DECDRO COc1cccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)c1O ZINC001579277272 1067286416 /nfs/dbraw/zinc/28/64/16/1067286416.db2.gz BJTQRMPDFOTFKP-CQSZACIVSA-N 1 0 306.406 2.315 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC001579589880 1067378186 /nfs/dbraw/zinc/37/81/86/1067378186.db2.gz PGGMHNIZYOBLEH-OLZOCXBDSA-N 1 0 313.401 2.372 20 10 DECDRO Cc1cnc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCO2 ZINC001579823063 1067431704 /nfs/dbraw/zinc/43/17/04/1067431704.db2.gz XBQNRACIPFHQFN-UHFFFAOYSA-N 1 0 309.369 2.075 20 10 DECDRO Cn1c(C[NH2+]Cc2ccc(N)cc2)cc(=O)n1-c1ccccc1 ZINC001579945487 1067459861 /nfs/dbraw/zinc/45/98/61/1067459861.db2.gz JJVDLSYTTOKQMW-UHFFFAOYSA-N 1 0 308.385 2.048 20 10 DECDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC001580158806 1067513022 /nfs/dbraw/zinc/51/30/22/1067513022.db2.gz XAJLWTKUANSUNH-MGPLVRAMSA-N 1 0 318.398 2.266 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)c(C)n1-c1ccccn1 ZINC001514662888 1068751796 /nfs/dbraw/zinc/75/17/96/1068751796.db2.gz IZPQEIGZXTWBER-CVEARBPZSA-N 1 0 324.428 2.489 20 10 DECDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001573614659 1069051596 /nfs/dbraw/zinc/05/15/96/1069051596.db2.gz OELJMKDOXOWWQM-INIZCTEOSA-N 1 0 301.434 2.291 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1F ZINC001521463340 1069244828 /nfs/dbraw/zinc/24/48/28/1069244828.db2.gz MLFRNFDWHJDVIF-FUHWJXTLSA-N 1 0 319.424 2.430 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC001140949722 1079255044 /nfs/dbraw/zinc/25/50/44/1079255044.db2.gz JPQHLORMJNAIRY-CQSZACIVSA-N 1 0 305.374 2.045 20 10 DECDRO Nc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1 ZINC001580445769 1075925394 /nfs/dbraw/zinc/92/53/94/1075925394.db2.gz VHRUTGJJIOFMFO-UHFFFAOYSA-N 1 0 301.365 2.318 20 10 DECDRO CC(C)N1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001620806961 1076131915 /nfs/dbraw/zinc/13/19/15/1076131915.db2.gz FNHYNXCGQUSZDI-INIZCTEOSA-N 1 0 301.434 2.386 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)CC[S@@](C)=O)ccc1OC ZINC001620854642 1076481381 /nfs/dbraw/zinc/48/13/81/1076481381.db2.gz PMXMDXUSSNKTNM-YEJXKQKISA-N 1 0 313.463 2.478 20 10 DECDRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001650773971 1079772866 /nfs/dbraw/zinc/77/28/66/1079772866.db2.gz JCQHIQMWPFIUDX-INIZCTEOSA-N 1 0 322.449 2.271 20 10 DECDRO CCOCc1cc(C[NH2+]CCC(=O)NC(C)C)ccc1OC ZINC001656054822 1080032675 /nfs/dbraw/zinc/03/26/75/1080032675.db2.gz JWXZJRVVQQGDMW-UHFFFAOYSA-N 1 0 308.422 2.236 20 10 DECDRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001657757888 1080184770 /nfs/dbraw/zinc/18/47/70/1080184770.db2.gz GWGGPSHEJDIIKW-CQSZACIVSA-N 1 0 307.777 2.444 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC001658285977 1080203527 /nfs/dbraw/zinc/20/35/27/1080203527.db2.gz OBJMFGBVPBKJKH-GFCCVEGCSA-N 1 0 302.378 2.125 20 10 DECDRO CS(C)(=O)=NCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001658938708 1080222564 /nfs/dbraw/zinc/22/25/64/1080222564.db2.gz XLSCEDXUOXLTOV-UHFFFAOYSA-N 1 0 314.426 2.471 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)c1O ZINC001660250279 1080293781 /nfs/dbraw/zinc/29/37/81/1080293781.db2.gz KOFLKFHAZGCYDJ-OAHLLOKOSA-N 1 0 311.765 2.193 20 10 DECDRO CCOCc1cc(C[NH2+]CCNc2cnccn2)ccc1OC ZINC001661918586 1080544149 /nfs/dbraw/zinc/54/41/49/1080544149.db2.gz DRUJFVUZRWIQSD-UHFFFAOYSA-N 1 0 316.405 2.223 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]([S@](C)=O)C2)c1O ZINC001665837440 1081088880 /nfs/dbraw/zinc/08/88/80/1081088880.db2.gz PHRMLYBXKLHYJT-JGRMJRGVSA-N 1 0 317.838 2.443 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC001269607695 1081306576 /nfs/dbraw/zinc/30/65/76/1081306576.db2.gz GSFQIOQKIYGFGZ-QGZVFWFLSA-N 1 0 304.390 2.046 20 10 DECDRO C[N@@H+]1CCC2(C1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC001270703871 1081606528 /nfs/dbraw/zinc/60/65/28/1081606528.db2.gz UGUFRQVFXNHTCG-HWKANZROSA-N 1 0 316.401 2.055 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)cc1 ZINC001276958000 1083700969 /nfs/dbraw/zinc/70/09/69/1083700969.db2.gz BMDCDHQTJCUPGR-FUHWJXTLSA-N 1 0 301.434 2.230 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)c1 ZINC001277464590 1083984788 /nfs/dbraw/zinc/98/47/88/1083984788.db2.gz YALVWEJQKZUQHY-SCLBCKFNSA-N 1 0 318.417 2.280 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277568184 1084039600 /nfs/dbraw/zinc/03/96/00/1084039600.db2.gz KALYBRYYPGBVFW-RDTXWAMCSA-N 1 0 302.418 2.437 20 10 DECDRO Oc1c(CN2CCNC[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001234986670 1084260513 /nfs/dbraw/zinc/26/05/13/1084260513.db2.gz BPNLWGYGSNQGJX-FQEVSTJZSA-N 1 0 323.440 2.197 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235048348 1084287213 /nfs/dbraw/zinc/28/72/13/1084287213.db2.gz GLUAJHQHOUROFE-WDEREUQCSA-N 1 0 302.296 2.227 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001235674470 1084495984 /nfs/dbraw/zinc/49/59/84/1084495984.db2.gz GHOQLAYAAGZRTH-SJLPKXTDSA-N 1 0 307.434 2.255 20 10 DECDRO CCCCOC1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001235710158 1084509280 /nfs/dbraw/zinc/50/92/80/1084509280.db2.gz NEWAQWOXGJNQAQ-UHFFFAOYSA-N 1 0 303.450 2.097 20 10 DECDRO CC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001235773573 1084524060 /nfs/dbraw/zinc/52/40/60/1084524060.db2.gz OFSSZGFHIDOWGW-HNNXBMFYSA-N 1 0 323.868 2.360 20 10 DECDRO COCCCN(Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235806754 1084532780 /nfs/dbraw/zinc/53/27/80/1084532780.db2.gz LFMWDURUBQXIEA-GOSISDBHSA-N 1 0 305.466 2.343 20 10 DECDRO COC(=O)C[C@H]1C[NH2+]CCN1Cc1cccc(C(C)(C)C)c1O ZINC001235847286 1084546605 /nfs/dbraw/zinc/54/66/05/1084546605.db2.gz SOUFRZDCLFTTCE-AWEZNQCLSA-N 1 0 320.433 2.027 20 10 DECDRO [NH3+][C@@]12CC[C@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001235996307 1084585601 /nfs/dbraw/zinc/58/56/01/1084585601.db2.gz WPMXVAMNLDVIFJ-TVQRCGJNSA-N 1 0 302.296 2.214 20 10 DECDRO Cc1cc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)cc1Br ZINC001235998642 1084586848 /nfs/dbraw/zinc/58/68/48/1084586848.db2.gz YIJQMNVLJRIDOK-FZMZJTMJSA-N 1 0 311.223 2.386 20 10 DECDRO CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000961052552 1085554719 /nfs/dbraw/zinc/55/47/19/1085554719.db2.gz YSNQZHMOSYQEIZ-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001143104345 1085696845 /nfs/dbraw/zinc/69/68/45/1085696845.db2.gz SBNDZLRHEMRYNH-MAUKXSAKSA-N 1 0 307.434 2.255 20 10 DECDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272982461 1085778214 /nfs/dbraw/zinc/77/82/14/1085778214.db2.gz IVXBLLJFNAJTPU-SFHVURJKSA-N 1 0 318.417 2.465 20 10 DECDRO CCNC(=O)C(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706831845 1086652191 /nfs/dbraw/zinc/65/21/91/1086652191.db2.gz OOPQVWAXVYDIQJ-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO CC(C)NC(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706809940 1086652582 /nfs/dbraw/zinc/65/25/82/1086652582.db2.gz SRATYKACOKFRDM-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO OCC1(CC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706863463 1086653502 /nfs/dbraw/zinc/65/35/02/1086653502.db2.gz HYFNZLFPKIZZNQ-UHFFFAOYSA-N 1 0 300.196 2.407 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1Cl ZINC001274529743 1091286380 /nfs/dbraw/zinc/28/63/80/1091286380.db2.gz ZUCIYXOCZSCIAW-INIZCTEOSA-N 1 0 324.808 2.108 20 10 DECDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001275275302 1091646042 /nfs/dbraw/zinc/64/60/42/1091646042.db2.gz FWUNJJAUSBAMFW-INIZCTEOSA-N 1 0 310.825 2.342 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1OC ZINC001236750558 1138407170 /nfs/dbraw/zinc/40/71/70/1138407170.db2.gz RYTWJHZREPBGJX-YVEFUNNKSA-N 1 0 309.406 2.392 20 10 DECDRO C[C@@H]1COCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236767775 1138420093 /nfs/dbraw/zinc/42/00/93/1138420093.db2.gz NDWKZXBQUKGLFN-VIFPVBQESA-N 1 0 316.195 2.329 20 10 DECDRO CCc1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC001236788716 1138427823 /nfs/dbraw/zinc/42/78/23/1138427823.db2.gz NROJWSKNWNVLRF-UHFFFAOYSA-N 1 0 304.434 2.251 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(Cl)c1 ZINC001236806022 1138433489 /nfs/dbraw/zinc/43/34/89/1138433489.db2.gz LEOOFTVZOJBLRS-NSHDSACASA-N 1 0 322.796 2.483 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c1 ZINC001236811305 1138437066 /nfs/dbraw/zinc/43/70/66/1138437066.db2.gz OIDUCAPODVBKND-UHFFFAOYSA-N 1 0 308.397 2.327 20 10 DECDRO CC[C@H]([NH3+])CN(C)Cc1cc(Br)c(OC)cc1O ZINC001236883887 1138447118 /nfs/dbraw/zinc/44/71/18/1138447118.db2.gz HIBRLKNTDKOWHN-JTQLQIEISA-N 1 0 317.227 2.332 20 10 DECDRO CCOC(=O)c1c(CN(C)C[C@H](C)[NH3+])c2ccccc2n1C ZINC001236903499 1138454887 /nfs/dbraw/zinc/45/48/87/1138454887.db2.gz DVAKIBSOYIQPCG-LBPRGKRZSA-N 1 0 303.406 2.134 20 10 DECDRO C[NH+](C)CCN(Cc1cc(Cl)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001236924027 1138457850 /nfs/dbraw/zinc/45/78/50/1138457850.db2.gz OBPFUGPRGCZGBE-OAHLLOKOSA-N 1 0 311.857 2.161 20 10 DECDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237046691 1138487311 /nfs/dbraw/zinc/48/73/11/1138487311.db2.gz VPIDLWSUVRPRPZ-YJBOKZPZSA-N 1 0 319.401 2.137 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c(O)c1 ZINC001237043593 1138488391 /nfs/dbraw/zinc/48/83/91/1138488391.db2.gz OITNULFPEPKSGI-UHFFFAOYSA-N 1 0 318.417 2.283 20 10 DECDRO CN1CC2(C1)C[NH+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237064291 1138496699 /nfs/dbraw/zinc/49/66/99/1138496699.db2.gz ZSEYSDNNNPRMJU-UHFFFAOYSA-N 1 0 316.323 2.081 20 10 DECDRO C[NH+]1CC2(C1)CCN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237116368 1138506734 /nfs/dbraw/zinc/50/67/34/1138506734.db2.gz YUOWFRBEAPRTRW-UHFFFAOYSA-N 1 0 316.323 2.428 20 10 DECDRO C[C@H]([NH3+])CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237205007 1138533178 /nfs/dbraw/zinc/53/31/78/1138533178.db2.gz JXWDGJMKSUOQRP-NSHDSACASA-N 1 0 303.328 2.054 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237678296 1138753527 /nfs/dbraw/zinc/75/35/27/1138753527.db2.gz MLLOXGHGGVPKAW-DGCLKSJQSA-N 1 0 323.389 2.040 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)cc1Br ZINC001237679658 1138754602 /nfs/dbraw/zinc/75/46/02/1138754602.db2.gz TZVROQHMVLREEH-SNVBAGLBSA-N 1 0 300.196 2.277 20 10 DECDRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2C1=CCC[NH2+]C1 ZINC001240651478 1139499076 /nfs/dbraw/zinc/49/90/76/1139499076.db2.gz IZTUYFAVYJVEAO-UHFFFAOYSA-N 1 0 314.389 2.355 20 10 DECDRO Cc1cc2c(cccc2-c2cnc(N3CC[NH2+]CC3)nc2)n1C ZINC001241899836 1139861628 /nfs/dbraw/zinc/86/16/28/1139861628.db2.gz NLYIMYXGAZJIFJ-UHFFFAOYSA-N 1 0 307.401 2.353 20 10 DECDRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccnc2c1CCN2 ZINC001244163343 1140315995 /nfs/dbraw/zinc/31/59/95/1140315995.db2.gz PFLBQKCJSGWSOF-UHFFFAOYSA-N 1 0 324.428 2.120 20 10 DECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318740745 1140396957 /nfs/dbraw/zinc/39/69/57/1140396957.db2.gz VKDQZZZIOAMCQG-SFHVURJKSA-N 1 0 323.456 2.074 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001319717111 1140684744 /nfs/dbraw/zinc/68/47/44/1140684744.db2.gz UQQXERJCQDSCRY-OAHLLOKOSA-N 1 0 321.440 2.188 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)OC)cc1C ZINC001320362679 1140855568 /nfs/dbraw/zinc/85/55/68/1140855568.db2.gz QAJZLNBPRJYDJT-KGLIPLIRSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c(O)c1 ZINC001321196019 1141082275 /nfs/dbraw/zinc/08/22/75/1141082275.db2.gz JTOAKPXXABWAMA-LSDHHAIUSA-N 1 0 321.421 2.073 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](N)CC[NH3+])n2)cc1 ZINC001247829184 1141541483 /nfs/dbraw/zinc/54/14/83/1141541483.db2.gz ITQJKGKPRAOHGB-HNNXBMFYSA-N 1 0 311.389 2.493 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCCOC(C)(C)C2)c(O)c1 ZINC001249201420 1141858835 /nfs/dbraw/zinc/85/88/35/1141858835.db2.gz SASIUXWBPYNQCC-UHFFFAOYSA-N 1 0 307.390 2.109 20 10 DECDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252708 1141865416 /nfs/dbraw/zinc/86/54/16/1141865416.db2.gz RNOSJWGIWBKTMC-UHFFFAOYSA-N 1 0 318.417 2.487 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3CC[N@@H+]4CC[C@H]4C3)ccc2O1 ZINC001249258088 1141865501 /nfs/dbraw/zinc/86/55/01/1141865501.db2.gz CLLLPIPHGBPJFY-AWEZNQCLSA-N 1 0 300.402 2.466 20 10 DECDRO [NH3+][C@H](Cc1nc(-c2cccc3ccnn32)no1)c1ccccc1O ZINC001249338869 1141877069 /nfs/dbraw/zinc/87/70/69/1141877069.db2.gz HJKHMGDVQHSVDT-CYBMUJFWSA-N 1 0 321.340 2.332 20 10 DECDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001324120220 1142010941 /nfs/dbraw/zinc/01/09/41/1142010941.db2.gz AYNSJPDPEJHJNI-DZGCQCFKSA-N 1 0 320.433 2.410 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)c(O)cc1Br ZINC001250117846 1142083731 /nfs/dbraw/zinc/08/37/31/1142083731.db2.gz UIKWRMMJZCIEQJ-NSHDSACASA-N 1 0 300.196 2.420 20 10 DECDRO Nc1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC001337019343 1142660877 /nfs/dbraw/zinc/66/08/77/1142660877.db2.gz SMNAFACUTMFCRD-RDJZCZTQSA-N 1 0 316.449 2.333 20 10 DECDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC001337833579 1142804145 /nfs/dbraw/zinc/80/41/45/1142804145.db2.gz CIBARZMOTAJGBQ-RKVPGOIHSA-N 1 0 303.450 2.342 20 10 DECDRO COc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC001252904904 1142828856 /nfs/dbraw/zinc/82/88/56/1142828856.db2.gz IHAJGDUCVSQISN-UONOGXRCSA-N 1 0 317.385 2.491 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001338673298 1142869919 /nfs/dbraw/zinc/86/99/19/1142869919.db2.gz QOOKTKFHRMNVAW-ZBFHGGJFSA-N 1 0 318.465 2.140 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCCNC1=O ZINC001254005037 1143022618 /nfs/dbraw/zinc/02/26/18/1143022618.db2.gz RYTCXOXOFWGQES-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001254580291 1143265990 /nfs/dbraw/zinc/26/59/90/1143265990.db2.gz DKBYSVIPRZESKN-CYBMUJFWSA-N 1 0 300.314 2.263 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC001254729006 1143315946 /nfs/dbraw/zinc/31/59/46/1143315946.db2.gz BQKQAGFWFTUVDV-ZJUUUORDSA-N 1 0 304.312 2.418 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340318818 1143323916 /nfs/dbraw/zinc/32/39/16/1143323916.db2.gz CCZDAXJRPPJLCU-YJBOKZPZSA-N 1 0 301.434 2.101 20 10 DECDRO C[NH2+]CCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001341569090 1143629386 /nfs/dbraw/zinc/62/93/86/1143629386.db2.gz HBWBHNURNDALQD-UHFFFAOYSA-N 1 0 319.449 2.124 20 10 DECDRO COc1ccc(N2CCC(NC(=O)CC(C)(C)C[NH3+])CC2)cc1 ZINC001341685020 1143664562 /nfs/dbraw/zinc/66/45/62/1143664562.db2.gz QSOAKUNMILSQJG-UHFFFAOYSA-N 1 0 319.449 2.155 20 10 DECDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(C)n1-c1ccccn1 ZINC001342575585 1143824564 /nfs/dbraw/zinc/82/45/64/1143824564.db2.gz WKNXWMUZBVMVFM-HNNXBMFYSA-N 1 0 312.417 2.298 20 10 DECDRO O=S1(=O)CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001256380162 1143845570 /nfs/dbraw/zinc/84/55/70/1143845570.db2.gz ITJVUAJDWALWSG-UHFFFAOYSA-N 1 0 305.399 2.212 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000384364563 1144420353 /nfs/dbraw/zinc/42/03/53/1144420353.db2.gz GIDAXOINMCJIAS-RHSMWYFYSA-N 1 0 303.450 2.489 20 10 DECDRO CCN(CC)c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1F ZINC001308223232 1147457077 /nfs/dbraw/zinc/45/70/77/1147457077.db2.gz VGMLSEKGBZLJHJ-MRXNPFEDSA-N 1 0 323.456 2.218 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC001308262353 1147463208 /nfs/dbraw/zinc/46/32/08/1147463208.db2.gz SANKABGPCQJNRF-UHFFFAOYSA-N 1 0 314.433 2.381 20 10 DECDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308371122 1147469828 /nfs/dbraw/zinc/46/98/28/1147469828.db2.gz LBZWTBGWUKBNDO-QGZVFWFLSA-N 1 0 310.397 2.068 20 10 DECDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325300532 1147890890 /nfs/dbraw/zinc/89/08/90/1147890890.db2.gz RAHKENDLSOFLBM-QGZVFWFLSA-N 1 0 322.474 2.344 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000372856127 529781179 /nfs/dbraw/zinc/78/11/79/529781179.db2.gz HZSSNBVJVUVYSG-INIZCTEOSA-N 1 0 301.434 2.101 20 10 DECDRO CN1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000191663035 530053971 /nfs/dbraw/zinc/05/39/71/530053971.db2.gz PEARLXIEQHFMHB-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000083418099 192371377 /nfs/dbraw/zinc/37/13/77/192371377.db2.gz GINDWWXILPLMRB-UHFFFAOYSA-N 1 0 321.490 2.196 20 10 DECDRO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885024 355568909 /nfs/dbraw/zinc/56/89/09/355568909.db2.gz XYSGISKTGFRPFW-SJORKVTESA-N 1 0 302.422 2.260 20 10 DECDRO Cc1ccc2c(c1)N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CC2 ZINC000592516624 357892276 /nfs/dbraw/zinc/89/22/76/357892276.db2.gz RIJWHNJJCJFWDG-CQSZACIVSA-N 1 0 310.401 2.231 20 10 DECDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000272507825 130037363 /nfs/dbraw/zinc/03/73/63/130037363.db2.gz WORQQOZOULUHQM-NVXWUHKLSA-N 1 0 305.349 2.106 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000273566784 130139341 /nfs/dbraw/zinc/13/93/41/130139341.db2.gz JSBHTBPSOLXWPD-PSASIEDQSA-N 1 0 313.195 2.036 20 10 DECDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000273602666 130143192 /nfs/dbraw/zinc/14/31/92/130143192.db2.gz SGTDPNNBOBRJBH-HIFPTAJRSA-N 1 0 306.406 2.356 20 10 DECDRO OC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000286193279 131223966 /nfs/dbraw/zinc/22/39/66/131223966.db2.gz RJVAFIOJFPOCAH-UHFFFAOYSA-N 1 0 322.424 2.180 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C)o3)cc2F)CC1 ZINC000287177332 131267219 /nfs/dbraw/zinc/26/72/19/131267219.db2.gz HEMMAKYDJAZGFD-UHFFFAOYSA-N 1 0 319.384 2.271 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CC[C@@H](O)c1ccccc1)OCO2 ZINC000289393763 131382284 /nfs/dbraw/zinc/38/22/84/131382284.db2.gz FINYLPXVZVVVFP-CQSZACIVSA-N 1 0 301.342 2.334 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1 ZINC000111398910 401714593 /nfs/dbraw/zinc/71/45/93/401714593.db2.gz COMZTJKRJXZAKB-LBPRGKRZSA-N 1 0 318.373 2.178 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCCCOC ZINC000076074106 401781430 /nfs/dbraw/zinc/78/14/30/401781430.db2.gz OLDMIKQLPMDLFH-CQSZACIVSA-N 1 0 308.422 2.145 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1cc(Br)ccc1O ZINC000042560479 401933235 /nfs/dbraw/zinc/93/32/35/401933235.db2.gz DIVQITLQUOYELG-KWQFWETISA-N 1 0 315.211 2.330 20 10 DECDRO CC(C)OCC[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093586259 402016622 /nfs/dbraw/zinc/01/66/22/402016622.db2.gz BLHKWWMZFNTMEA-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000122263337 402069347 /nfs/dbraw/zinc/06/93/47/402069347.db2.gz FJRNKMGMQKDFFH-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000152987476 402120978 /nfs/dbraw/zinc/12/09/78/402120978.db2.gz VQCBAAURNHXPPV-HNNXBMFYSA-N 1 0 300.402 2.308 20 10 DECDRO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)OCO2 ZINC000123744764 402144059 /nfs/dbraw/zinc/14/40/59/402144059.db2.gz AQMCJECYQYNFRB-ZANVPECISA-N 1 0 319.279 2.009 20 10 DECDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1O ZINC000154031219 402188386 /nfs/dbraw/zinc/18/83/86/402188386.db2.gz PJWFHDVWZVAFPD-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000184983117 402314746 /nfs/dbraw/zinc/31/47/46/402314746.db2.gz SWNOIDPQQJXQLO-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186022187 402397160 /nfs/dbraw/zinc/39/71/60/402397160.db2.gz BERGZWDABHIXQJ-GZMMTYOYSA-N 1 0 320.286 2.345 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000186818332 402466193 /nfs/dbraw/zinc/46/61/93/402466193.db2.gz MBDSDBCOXYKFDF-BLLLJJGKSA-N 1 0 312.417 2.217 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000167739339 402493752 /nfs/dbraw/zinc/49/37/52/402493752.db2.gz RFMIUQSNNHCPIH-CQSZACIVSA-N 1 0 307.413 2.288 20 10 DECDRO CCN(C)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000187676017 402507878 /nfs/dbraw/zinc/50/78/78/402507878.db2.gz SUQSYUUNRSJSHA-UHFFFAOYSA-N 1 0 315.211 2.031 20 10 DECDRO CCOc1cccc(CN2CCNC(=O)[C@@H]2CC(C)C)c1O ZINC000188910770 402527605 /nfs/dbraw/zinc/52/76/05/402527605.db2.gz FSQYNIKUKIGEBT-AWEZNQCLSA-N 1 0 306.406 2.137 20 10 DECDRO CCOc1cccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000193399159 402770806 /nfs/dbraw/zinc/77/08/06/402770806.db2.gz CRMLFKBRUFVIAQ-GASCZTMLSA-N 1 0 322.449 2.332 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000195393339 402844372 /nfs/dbraw/zinc/84/43/72/402844372.db2.gz ZKEJBLCTLZJTGI-UHFFFAOYSA-N 1 0 319.424 2.382 20 10 DECDRO CC1=C(C)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000280835952 403041729 /nfs/dbraw/zinc/04/17/29/403041729.db2.gz WLYISEJNEBOXGA-UHFFFAOYSA-N 1 0 301.434 2.411 20 10 DECDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000280884143 403046706 /nfs/dbraw/zinc/04/67/06/403046706.db2.gz DQXGPNDDUQGJDE-MWLCHTKSSA-N 1 0 318.211 2.121 20 10 DECDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000280884144 403046888 /nfs/dbraw/zinc/04/68/88/403046888.db2.gz DQXGPNDDUQGJDE-ONGXEEELSA-N 1 0 318.211 2.121 20 10 DECDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268848294 403119621 /nfs/dbraw/zinc/11/96/21/403119621.db2.gz BGMROHJOGNZNMT-DYVFJYSZSA-N 1 0 310.413 2.330 20 10 DECDRO O[C@@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCC12CCOCC2 ZINC000282878998 403162823 /nfs/dbraw/zinc/16/28/23/403162823.db2.gz RTZPOJZSQULMOW-SJLPKXTDSA-N 1 0 317.429 2.279 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269911209 403175148 /nfs/dbraw/zinc/17/51/48/403175148.db2.gz IHHBXTXYVRZLEQ-FUHWJXTLSA-N 1 0 301.386 2.275 20 10 DECDRO CCOC(CC[NH2+]Cc1cc(OC)c(OC)cc1O)OCC ZINC000276157443 403150010 /nfs/dbraw/zinc/15/00/10/403150010.db2.gz HFJDWHRTGKZTFI-UHFFFAOYSA-N 1 0 313.394 2.288 20 10 DECDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000277436136 403217490 /nfs/dbraw/zinc/21/74/90/403217490.db2.gz NWHXQFCCBSLSSD-UHFFFAOYSA-N 1 0 307.413 2.288 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277457082 403219599 /nfs/dbraw/zinc/21/95/99/403219599.db2.gz LDZBCNXWODHMEP-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC000276797623 403194336 /nfs/dbraw/zinc/19/43/36/403194336.db2.gz MAPCTJMPMZFCQL-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1OC ZINC000271090744 403263281 /nfs/dbraw/zinc/26/32/81/403263281.db2.gz KWXBMONBRPELEK-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1N(C)C ZINC000294427822 403719201 /nfs/dbraw/zinc/71/92/01/403719201.db2.gz DUTZSLRPSWBBOK-MRXNPFEDSA-N 1 0 316.449 2.097 20 10 DECDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295455605 403932978 /nfs/dbraw/zinc/93/29/78/403932978.db2.gz VLXHKJGPZCVLRK-RKDXNWHRSA-N 1 0 323.817 2.438 20 10 DECDRO CCC[NH+]1CCC(CNC(=O)NCc2ccc(N)cc2)CC1 ZINC001120589314 782009103 /nfs/dbraw/zinc/00/91/03/782009103.db2.gz ASPFSAAULRTYBN-UHFFFAOYSA-N 1 0 304.438 2.190 20 10 DECDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296954310 404388118 /nfs/dbraw/zinc/38/81/18/404388118.db2.gz QWVCWXIOFYPIAL-AWEZNQCLSA-N 1 0 301.390 2.474 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)NC ZINC000834913979 649859625 /nfs/dbraw/zinc/85/96/25/649859625.db2.gz RTIGMVQGDOUDPU-GZMMTYOYSA-N 1 0 315.211 2.330 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@H](C)[NH3+])ccc21 ZINC000653144366 425416774 /nfs/dbraw/zinc/41/67/74/425416774.db2.gz QIJFEEYPGNHYKK-QWHCGFSZSA-N 1 0 317.433 2.370 20 10 DECDRO CN(C)C(=O)CN(Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662257876 425604944 /nfs/dbraw/zinc/60/49/44/425604944.db2.gz SSMNPVGDHVDLFN-UHFFFAOYSA-N 1 0 323.440 2.427 20 10 DECDRO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000185366812 333207697 /nfs/dbraw/zinc/20/76/97/333207697.db2.gz LVLCIVBALZTVFJ-CQSZACIVSA-N 1 0 309.429 2.210 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000359871123 337440029 /nfs/dbraw/zinc/44/00/29/337440029.db2.gz MMPZARMBKYIZCE-OASPWFOLSA-N 1 0 324.808 2.153 20 10 DECDRO [NH3+]C1CC(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC001357486249 1152302926 /nfs/dbraw/zinc/30/29/26/1152302926.db2.gz LCYMWHCKMCNNMA-AVVWSFFYSA-N 1 0 318.417 2.027 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(c3cn[nH]c3)CC1)OCO2 ZINC000371380961 534448885 /nfs/dbraw/zinc/44/88/85/534448885.db2.gz CBFDQAPETKRWRE-UHFFFAOYSA-N 1 0 301.346 2.224 20 10 DECDRO CCOCc1cc(C[NH2+][C@@](C)(CCO)COC)ccc1OC ZINC000267370121 520185656 /nfs/dbraw/zinc/18/56/56/520185656.db2.gz PORXYMTXWPZQLF-KRWDZBQOSA-N 1 0 311.422 2.109 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000236674000 521040597 /nfs/dbraw/zinc/04/05/97/521040597.db2.gz XCKZDVREXRVWRX-KRWDZBQOSA-N 1 0 301.434 2.291 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1F ZINC000132001945 522177864 /nfs/dbraw/zinc/17/78/64/522177864.db2.gz QVSKXYFPJHFLLL-UHFFFAOYSA-N 1 0 319.424 2.479 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000129749577 522179115 /nfs/dbraw/zinc/17/91/15/522179115.db2.gz OBSUTFMVMLDZSA-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO CN(C)c1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1F ZINC000237082078 522187516 /nfs/dbraw/zinc/18/75/16/522187516.db2.gz RYMLSBJORZCPRU-UHFFFAOYSA-N 1 0 307.413 2.288 20 10 DECDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)cc2c1OCO2 ZINC000265112811 522466906 /nfs/dbraw/zinc/46/69/06/522466906.db2.gz XNBXFFDMRHGWIX-UHFFFAOYSA-N 1 0 317.341 2.428 20 10 DECDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(F)ccc1O)c1ccncc1 ZINC000190022587 523310273 /nfs/dbraw/zinc/31/02/73/523310273.db2.gz PGYSAESFYIYLLS-QGZVFWFLSA-N 1 0 318.348 2.494 20 10 DECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180925249 524327755 /nfs/dbraw/zinc/32/77/55/524327755.db2.gz ZRMIRCPRCUBHIE-STMXVASLSA-N 1 0 304.390 2.102 20 10 DECDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372741616 534845346 /nfs/dbraw/zinc/84/53/46/534845346.db2.gz QJCYLMMZNMPEDC-AWEZNQCLSA-N 1 0 315.373 2.500 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(O)c1O ZINC000182318278 526100729 /nfs/dbraw/zinc/10/07/29/526100729.db2.gz CUQQPWNWISBCFR-CQSZACIVSA-N 1 0 318.417 2.497 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181113488 527613814 /nfs/dbraw/zinc/61/38/14/527613814.db2.gz FCXKATVGRGOFHC-CSPWOOARSA-N 1 0 316.401 2.055 20 10 DECDRO CCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1O ZINC000373213898 528087116 /nfs/dbraw/zinc/08/71/16/528087116.db2.gz BRTQIKIEBATVCD-CALCHBBNSA-N 1 0 304.434 2.467 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000374272511 528656228 /nfs/dbraw/zinc/65/62/28/528656228.db2.gz QYMURUAGVNRRPQ-PBHICJAKSA-N 1 0 307.390 2.219 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041538 649870199 /nfs/dbraw/zinc/87/01/99/649870199.db2.gz MVANPLDIZPTSGI-MBZYTVFJSA-N 1 0 301.434 2.270 20 10 DECDRO CC(C)N1CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000835040047 649870404 /nfs/dbraw/zinc/87/04/04/649870404.db2.gz MZAVGVOPSCWADV-KEGWNNHHSA-N 1 0 301.434 2.365 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000835049417 649872065 /nfs/dbraw/zinc/87/20/65/649872065.db2.gz RRKZRURYOBNVCC-ARJAWSKDSA-N 1 0 315.461 2.220 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054474 649872937 /nfs/dbraw/zinc/87/29/37/649872937.db2.gz QAPYHYJDDWHNPP-OSJSJHBBSA-N 1 0 317.477 2.418 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1F ZINC000835059486 649873863 /nfs/dbraw/zinc/87/38/63/649873863.db2.gz AECYZKSJSUHUQP-KRWDZBQOSA-N 1 0 307.413 2.430 20 10 DECDRO COCn1ncc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001327631594 1148602510 /nfs/dbraw/zinc/60/25/10/1148602510.db2.gz GVXZZFPXIDMDKB-UHFFFAOYSA-N 1 0 302.422 2.460 20 10 DECDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000820465355 598219930 /nfs/dbraw/zinc/21/99/30/598219930.db2.gz CIVNTYAUJSJXKZ-YOEHRIQHSA-N 1 0 319.449 2.027 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736828076 598701710 /nfs/dbraw/zinc/70/17/10/598701710.db2.gz HBUQLXABACFUPY-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000188055795 625441561 /nfs/dbraw/zinc/44/15/61/625441561.db2.gz QUIWUBZONWRYBQ-AWEZNQCLSA-N 1 0 300.358 2.131 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)COC(C)=O)CC2)cc1 ZINC000892811530 625626493 /nfs/dbraw/zinc/62/64/93/625626493.db2.gz FBHGSIQHUCHCCC-ZDUSSCGKSA-N 1 0 306.406 2.205 20 10 DECDRO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021111939 623353974 /nfs/dbraw/zinc/35/39/74/623353974.db2.gz SNNLIBKOHQEFFT-HDJSIYSDSA-N 1 0 317.393 2.355 20 10 DECDRO COC(C)(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249008 623795481 /nfs/dbraw/zinc/79/54/81/623795481.db2.gz OXSDETQGESQKIW-MRXNPFEDSA-N 1 0 321.465 2.287 20 10 DECDRO COc1ccc(C[NH2+]CC2(N(C)C)CCCC2)c(O)c1OC ZINC000892457884 625696600 /nfs/dbraw/zinc/69/66/00/625696600.db2.gz PWAZBWBLBHDXLJ-UHFFFAOYSA-N 1 0 308.422 2.373 20 10 DECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891389026 624136469 /nfs/dbraw/zinc/13/64/69/624136469.db2.gz AFHUWGVYQBCVNU-CYBMUJFWSA-N 1 0 323.389 2.185 20 10 DECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000933288710 624146897 /nfs/dbraw/zinc/14/68/97/624146897.db2.gz JTUFLJASFZRGII-OAHLLOKOSA-N 1 0 322.380 2.128 20 10 DECDRO COc1ccc(CN2CC[NH+](C3CCCC3)CC2)c(O)c1OC ZINC000891572245 624481581 /nfs/dbraw/zinc/48/15/81/624481581.db2.gz AQBALJBZDKZCDP-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO C[C@@H]1C[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892060378 624767007 /nfs/dbraw/zinc/76/70/07/624767007.db2.gz JMTPMDZXRYWZGE-UKPHBRMFSA-N 1 0 318.465 2.311 20 10 DECDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000892118593 624788187 /nfs/dbraw/zinc/78/81/87/624788187.db2.gz MRUXVMJFPKCYCF-JOCQHMNTSA-N 1 0 303.406 2.183 20 10 DECDRO CC[N@H+](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000051688306 624886871 /nfs/dbraw/zinc/88/68/71/624886871.db2.gz RQJDXKFGYXZEJR-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000892561617 625151839 /nfs/dbraw/zinc/15/18/39/625151839.db2.gz OFSMYPYXXQZVHY-GASCZTMLSA-N 1 0 316.449 2.164 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCCC[C@H]2C)c(O)c1OC ZINC000892575700 625162564 /nfs/dbraw/zinc/16/25/64/625162564.db2.gz YVEHKYCNWKRQFM-CYBMUJFWSA-N 1 0 308.422 2.373 20 10 DECDRO O=C(NCc1ccccc1O)NCc1cccc2c1CC[NH2+]C2 ZINC000892338372 625163004 /nfs/dbraw/zinc/16/30/04/625163004.db2.gz ASGLOYYIKYGGSK-UHFFFAOYSA-N 1 0 311.385 2.037 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000317909826 625246191 /nfs/dbraw/zinc/24/61/91/625246191.db2.gz UICFGZCETLDRDR-RHSMWYFYSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCc2ccco2)c1 ZINC000182460201 625260597 /nfs/dbraw/zinc/26/05/97/625260597.db2.gz AGHHWSDRQBJREP-QWHCGFSZSA-N 1 0 321.373 2.222 20 10 DECDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001019846289 625842185 /nfs/dbraw/zinc/84/21/85/625842185.db2.gz ZBYAVWDUKGDZTJ-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001019960234 625864274 /nfs/dbraw/zinc/86/42/74/625864274.db2.gz QXPLPXGVRCYUEU-DDWPSWQVSA-N 1 0 302.418 2.396 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000836243489 650070512 /nfs/dbraw/zinc/07/05/12/650070512.db2.gz BAPRPKPGZYESKB-AWEZNQCLSA-N 1 0 304.438 2.036 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000177561018 632935984 /nfs/dbraw/zinc/93/59/84/632935984.db2.gz BLGRJYLCAYYQAE-IAGOWNOFSA-N 1 0 315.461 2.491 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CC2)ccc1N1CCCCC1 ZINC000734165022 633341498 /nfs/dbraw/zinc/34/14/98/633341498.db2.gz SBRGWYYTDIUZRA-OAHLLOKOSA-N 1 0 319.405 2.446 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CC2)ccc1N1CCCCC1 ZINC000734844748 633430542 /nfs/dbraw/zinc/43/05/42/633430542.db2.gz UDEPMKBBIZCSSN-KRWDZBQOSA-N 1 0 319.405 2.446 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000734844565 633430590 /nfs/dbraw/zinc/43/05/90/633430590.db2.gz NTVOFWUOYYSNLD-NSHDSACASA-N 1 0 316.195 2.024 20 10 DECDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893599685 634961101 /nfs/dbraw/zinc/96/11/01/634961101.db2.gz NOOPRRYFPYZEDL-UHFFFAOYSA-N 1 0 311.378 2.231 20 10 DECDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837171483 650170604 /nfs/dbraw/zinc/17/06/04/650170604.db2.gz COSPCDPDNMETAE-VURMDHGXSA-N 1 0 304.390 2.102 20 10 DECDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000317183932 635180166 /nfs/dbraw/zinc/18/01/66/635180166.db2.gz QQZDWOWNLPZHET-CQSZACIVSA-N 1 0 321.808 2.402 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000066972354 635198912 /nfs/dbraw/zinc/19/89/12/635198912.db2.gz OQYZENFAEOZKSB-CXAGYDPISA-N 1 0 308.397 2.319 20 10 DECDRO COc1ccc(O)c(CNC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000837483422 650204566 /nfs/dbraw/zinc/20/45/66/650204566.db2.gz AHGATJZCHXBFSS-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@@H]([C@@H](C)O)C2)cc1F ZINC000840976569 636005114 /nfs/dbraw/zinc/00/51/14/636005114.db2.gz DQCORGICZKLBTJ-CXAGYDPISA-N 1 0 310.413 2.254 20 10 DECDRO O=C1O[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000922226146 636013239 /nfs/dbraw/zinc/01/32/39/636013239.db2.gz ISIFSCBPUPNDHU-HNNXBMFYSA-N 1 0 302.374 2.084 20 10 DECDRO Cc1ncoc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000893910510 636063448 /nfs/dbraw/zinc/06/34/48/636063448.db2.gz JXLYMZVAUWCWHW-UHFFFAOYSA-N 1 0 301.390 2.452 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1 ZINC000922486232 636197652 /nfs/dbraw/zinc/19/76/52/636197652.db2.gz HHGYGNUUTKEFFX-AWFCHZOYSA-N 1 0 301.434 2.224 20 10 DECDRO CCN1CCC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000922639327 636290695 /nfs/dbraw/zinc/29/06/95/636290695.db2.gz NNKSNVNNRVHGPL-UABRLCRWSA-N 1 0 301.434 2.366 20 10 DECDRO CC[NH2+]CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841845516 636436869 /nfs/dbraw/zinc/43/68/69/636436869.db2.gz BKGCIKBEVDBSJQ-UHFFFAOYSA-N 1 0 318.446 2.046 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC000894274152 636656296 /nfs/dbraw/zinc/65/62/96/636656296.db2.gz SZQJZYICRZFTIT-ZFWWWQNUSA-N 1 0 320.433 2.446 20 10 DECDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2O)C1 ZINC000187004985 636666067 /nfs/dbraw/zinc/66/60/67/636666067.db2.gz GZWUSUPOJIEVNU-LBPRGKRZSA-N 1 0 306.406 2.338 20 10 DECDRO CC1(C)CN(C(=O)NCCCSc2nccs2)CC[NH2+]1 ZINC000841857464 636954613 /nfs/dbraw/zinc/95/46/13/636954613.db2.gz OQMXCEOXQFMZRF-UHFFFAOYSA-N 1 0 314.480 2.019 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000923190536 637021468 /nfs/dbraw/zinc/02/14/68/637021468.db2.gz OSYJGQRUSYAAQZ-NSHDSACASA-N 1 0 309.385 2.203 20 10 DECDRO CC[N@@H+](Cc1cc(C)cc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000894492663 637071266 /nfs/dbraw/zinc/07/12/66/637071266.db2.gz DZUMADQQKYEPFW-LBPRGKRZSA-N 1 0 307.312 2.454 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000838732424 637641762 /nfs/dbraw/zinc/64/17/62/637641762.db2.gz HKQBEZLIYQTEFD-UHFFFAOYSA-N 1 0 305.422 2.408 20 10 DECDRO COc1ccc(C[NH+]2CCC([C@H](C)CO)CC2)c(O)c1OC ZINC000895156628 637684487 /nfs/dbraw/zinc/68/44/87/637684487.db2.gz XXTXPJVTVRAZPH-GFCCVEGCSA-N 1 0 309.406 2.250 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)cc1OC ZINC000839180503 637811827 /nfs/dbraw/zinc/81/18/27/637811827.db2.gz DOOZIXQVMQZIHI-JKSUJKDBSA-N 1 0 307.390 2.457 20 10 DECDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000840881131 650371037 /nfs/dbraw/zinc/37/10/37/650371037.db2.gz XTAKTONGFBLJQQ-INIZCTEOSA-N 1 0 310.463 2.371 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1OC ZINC000895308760 637911575 /nfs/dbraw/zinc/91/15/75/637911575.db2.gz BPQLBEZMCKIVAE-BNEJOLLZSA-N 1 0 320.433 2.056 20 10 DECDRO COc1ccc(N2CCC(NC(=O)C3([NH3+])CCCC3)CC2)cc1 ZINC000237257113 637927487 /nfs/dbraw/zinc/92/74/87/637927487.db2.gz UJJUYFWZIPRMAO-UHFFFAOYSA-N 1 0 317.433 2.052 20 10 DECDRO CC(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC000895577201 638090801 /nfs/dbraw/zinc/09/08/01/638090801.db2.gz UQTADITYCYGHBE-OYIOLJDGSA-N 1 0 313.445 2.176 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000895676492 638138780 /nfs/dbraw/zinc/13/87/80/638138780.db2.gz AYXUCAVIQCMGFZ-JTQLQIEISA-N 1 0 315.238 2.049 20 10 DECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000743498663 638153026 /nfs/dbraw/zinc/15/30/26/638153026.db2.gz CCARCZAORMKWSD-WBVHZDCISA-N 1 0 306.450 2.410 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895697119 638155288 /nfs/dbraw/zinc/15/52/88/638155288.db2.gz LSGRQJYTEGONRS-UHFFFAOYSA-N 1 0 304.434 2.442 20 10 DECDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000895712223 638158153 /nfs/dbraw/zinc/15/81/53/638158153.db2.gz ZIHWBXSRITYDSZ-GFUIURDCSA-N 1 0 323.286 2.465 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000895716927 638160591 /nfs/dbraw/zinc/16/05/91/638160591.db2.gz NEKCSWAIFVVZQY-MRXNPFEDSA-N 1 0 301.434 2.162 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840974921 650398048 /nfs/dbraw/zinc/39/80/48/650398048.db2.gz QPNFLHFMYKRVQH-UHFFFAOYSA-N 1 0 305.827 2.268 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000840976396 650399160 /nfs/dbraw/zinc/39/91/60/650399160.db2.gz VTOPUAIHOORMFB-UHFFFAOYSA-N 1 0 317.838 2.350 20 10 DECDRO COc1ccc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c(O)c1OC ZINC000895924579 638269497 /nfs/dbraw/zinc/26/94/97/638269497.db2.gz PCVGXCPDGCFXDJ-CYBMUJFWSA-N 1 0 309.406 2.392 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000747661841 638460567 /nfs/dbraw/zinc/46/05/67/638460567.db2.gz XBZPDVNOEZFVPG-MRXNPFEDSA-N 1 0 318.417 2.424 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1 ZINC000896397073 638501906 /nfs/dbraw/zinc/50/19/06/638501906.db2.gz UREWZFFNVMMUGK-GUYCJALGSA-N 1 0 320.389 2.111 20 10 DECDRO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000841099348 650430772 /nfs/dbraw/zinc/43/07/72/650430772.db2.gz ILBVHYHWNCLJPP-RDJZCZTQSA-N 1 0 308.397 2.250 20 10 DECDRO COc1ccc(N2CC[NH+](CCn3cc(C)cn3)CC2)cc1F ZINC000753856527 639350608 /nfs/dbraw/zinc/35/06/08/639350608.db2.gz CJFCMLLOEUTVCA-UHFFFAOYSA-N 1 0 318.396 2.161 20 10 DECDRO C[NH+](C)CCCOC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000754438293 639429859 /nfs/dbraw/zinc/42/98/59/639429859.db2.gz DMACFUUODHGVAP-UHFFFAOYSA-N 1 0 312.435 2.027 20 10 DECDRO CCC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022013982 639530692 /nfs/dbraw/zinc/53/06/92/639530692.db2.gz DWAFYXBOSJBDBV-OAHLLOKOSA-N 1 0 311.447 2.408 20 10 DECDRO CCCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756323539 639649557 /nfs/dbraw/zinc/64/95/57/639649557.db2.gz QTJWOPJIBKTUNY-QGZVFWFLSA-N 1 0 319.449 2.171 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNc2ncccn2)c1 ZINC000756643133 639681176 /nfs/dbraw/zinc/68/11/76/639681176.db2.gz RSWWVIHDWUGDAJ-GFCCVEGCSA-N 1 0 302.378 2.344 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841654787 650530315 /nfs/dbraw/zinc/53/03/15/650530315.db2.gz POKRSOLTXYMEFK-KRWDZBQOSA-N 1 0 312.417 2.252 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000321069608 639905827 /nfs/dbraw/zinc/90/58/27/639905827.db2.gz FQWSGEZHXOXZJT-GOSISDBHSA-N 1 0 311.429 2.454 20 10 DECDRO COc1cc(O)c(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1OC ZINC000897388545 639939404 /nfs/dbraw/zinc/93/94/04/639939404.db2.gz HUGDLXQPSDSGMS-YVEFUNNKSA-N 1 0 305.374 2.211 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccccc1O ZINC000758850951 640001097 /nfs/dbraw/zinc/00/10/97/640001097.db2.gz HHBBVDLJPLSHHD-HNNXBMFYSA-N 1 0 305.422 2.408 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000841718369 650550532 /nfs/dbraw/zinc/55/05/32/650550532.db2.gz SJKSCSPUBCIYLJ-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841718798 650550550 /nfs/dbraw/zinc/55/05/50/650550550.db2.gz XDAMPFPKCIIUKX-HOCLYGCPSA-N 1 0 318.465 2.473 20 10 DECDRO CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000841709420 650547089 /nfs/dbraw/zinc/54/70/89/650547089.db2.gz FQPOJNPCTSETAG-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1ccc(N)cc1 ZINC000841734847 650553415 /nfs/dbraw/zinc/55/34/15/650553415.db2.gz UKWIDRGDGFSFRO-HUUCEWRRSA-N 1 0 318.465 2.231 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759681 650558417 /nfs/dbraw/zinc/55/84/17/650558417.db2.gz HILDGRQNILICEG-SWLSCSKDSA-N 1 0 322.428 2.303 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000841758472 650557954 /nfs/dbraw/zinc/55/79/54/650557954.db2.gz HTOCYCNMQVTWSP-HZPDHXFCSA-N 1 0 316.449 2.138 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000987696598 640259938 /nfs/dbraw/zinc/25/99/38/640259938.db2.gz PVOKGUGQQXJIGP-YPMHNXCESA-N 1 0 312.360 2.348 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1F ZINC000841799144 650567315 /nfs/dbraw/zinc/56/73/15/650567315.db2.gz QCGAYGBRIOFCRU-AWEZNQCLSA-N 1 0 322.428 2.162 20 10 DECDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000841861416 650584067 /nfs/dbraw/zinc/58/40/67/650584067.db2.gz VVMNWSFJCZLHQR-CQSZACIVSA-N 1 0 322.424 2.444 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841881665 650591059 /nfs/dbraw/zinc/59/10/59/650591059.db2.gz BKXYFDBNSVNLNX-MCIONIFRSA-N 1 0 304.438 2.205 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881548 650591258 /nfs/dbraw/zinc/59/12/58/650591258.db2.gz SFNOXECPPWAKSC-DZKIICNBSA-N 1 0 318.465 2.440 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881958 650592162 /nfs/dbraw/zinc/59/21/62/650592162.db2.gz FSORKODNOXFSEC-ZFWWWQNUSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N(C)C)cc1 ZINC000841882004 650592171 /nfs/dbraw/zinc/59/21/71/650592171.db2.gz GHOOMWMWEVPMJW-IMJJTQAJSA-N 1 0 316.449 2.350 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881956 650592373 /nfs/dbraw/zinc/59/23/73/650592373.db2.gz FSORKODNOXFSEC-HIFRSBDPSA-N 1 0 304.438 2.255 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCNC1=O ZINC000764141011 640610455 /nfs/dbraw/zinc/61/04/55/640610455.db2.gz RZLSSSANCVSBOH-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO CCOc1cccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1O ZINC000841890681 650594381 /nfs/dbraw/zinc/59/43/81/650594381.db2.gz PPTVACNDJDWLNE-UHFFFAOYSA-N 1 0 323.433 2.448 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000841916392 650601871 /nfs/dbraw/zinc/60/18/71/650601871.db2.gz XPTDRUNFQKGCFG-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841922953 650603509 /nfs/dbraw/zinc/60/35/09/650603509.db2.gz WDENHFWYFUNECL-HNNXBMFYSA-N 1 0 305.422 2.456 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[NH2+]C(C)C)c1 ZINC000841933818 650605821 /nfs/dbraw/zinc/60/58/21/650605821.db2.gz KBFWJHBTVGRXAR-GFCCVEGCSA-N 1 0 309.410 2.149 20 10 DECDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765934039 640829463 /nfs/dbraw/zinc/82/94/63/640829463.db2.gz GEVBOSIJLBFWNE-SCLBCKFNSA-N 1 0 322.424 2.474 20 10 DECDRO CC[S@@](=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000765947756 640832908 /nfs/dbraw/zinc/83/29/08/640832908.db2.gz VCKHNGFHFZIJPL-OAQYLSRUSA-N 1 0 310.463 2.022 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000765980881 640836503 /nfs/dbraw/zinc/83/65/03/640836503.db2.gz ULLAXBAWBROVDG-QGZVFWFLSA-N 1 0 324.490 2.446 20 10 DECDRO C[C@H](CC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841966956 650615388 /nfs/dbraw/zinc/61/53/88/650615388.db2.gz ILWPEHQZBBYQSX-CYBMUJFWSA-N 1 0 317.389 2.434 20 10 DECDRO CCOc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000767190472 640953460 /nfs/dbraw/zinc/95/34/60/640953460.db2.gz XCRSFDQZMSBKBX-UHFFFAOYSA-N 1 0 319.430 2.425 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841989675 650621155 /nfs/dbraw/zinc/62/11/55/650621155.db2.gz WDSMWTFKJOURSQ-ZFWWWQNUSA-N 1 0 305.422 2.454 20 10 DECDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)C2)ccc1N1CCCCC1 ZINC000768410117 641078947 /nfs/dbraw/zinc/07/89/47/641078947.db2.gz UQMSCDXBHABXPQ-AWEZNQCLSA-N 1 0 305.378 2.152 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOc3ccccc3C1)[C@@H](O)CO2 ZINC000768441696 641080781 /nfs/dbraw/zinc/08/07/81/641080781.db2.gz FYIGYDRSUPYBHE-INIZCTEOSA-N 1 0 313.353 2.213 20 10 DECDRO COc1cc(C[NH+]2CCC(C3OCCO3)CC2)c(O)cc1C ZINC000768449487 641083349 /nfs/dbraw/zinc/08/33/49/641083349.db2.gz ZPFWDOSTFYVYCR-UHFFFAOYSA-N 1 0 307.390 2.294 20 10 DECDRO COc1cc(O)c(CN2CCC[N@@H+](C(C)C)CC2)cc1OC ZINC000768450068 641083354 /nfs/dbraw/zinc/08/33/54/641083354.db2.gz HINPOVOAMOFBNV-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)[C@H](O)CO2 ZINC000768464748 641084305 /nfs/dbraw/zinc/08/43/05/641084305.db2.gz UHRJSDZGHGAOFF-AEFFLSMTSA-N 1 0 319.401 2.211 20 10 DECDRO C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463704 641084386 /nfs/dbraw/zinc/08/43/86/641084386.db2.gz LLNWMVIJHDDXLF-MRXNPFEDSA-N 1 0 307.390 2.067 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(O)cc1C ZINC000768466224 641085874 /nfs/dbraw/zinc/08/58/74/641085874.db2.gz PKRPYUZQJQVNQH-MRXNPFEDSA-N 1 0 320.433 2.006 20 10 DECDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC000769512838 641253710 /nfs/dbraw/zinc/25/37/10/641253710.db2.gz SKFKSPJJGCZPND-UHFFFAOYSA-N 1 0 319.792 2.181 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000770752326 641416424 /nfs/dbraw/zinc/41/64/24/641416424.db2.gz MHVPCAMJTCQCRU-WMLDXEAASA-N 1 0 307.390 2.219 20 10 DECDRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924709701 641613854 /nfs/dbraw/zinc/61/38/54/641613854.db2.gz ZAENAASHEZXMJV-MRXNPFEDSA-N 1 0 322.474 2.481 20 10 DECDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924717219 641624354 /nfs/dbraw/zinc/62/43/54/641624354.db2.gz SKNQCFUGRMZEKY-KBPBESRZSA-N 1 0 322.424 2.423 20 10 DECDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924717225 641624429 /nfs/dbraw/zinc/62/44/29/641624429.db2.gz SKNQCFUGRMZEKY-UOIKSKOESA-N 1 0 322.424 2.423 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)cc1 ZINC000927131133 641660728 /nfs/dbraw/zinc/66/07/28/641660728.db2.gz HTPGUQBWORPQDH-SUMWQHHRSA-N 1 0 302.422 2.260 20 10 DECDRO CCn1ccnc1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898452491 641666636 /nfs/dbraw/zinc/66/66/36/641666636.db2.gz YSSARQCIKLTWBX-QGZVFWFLSA-N 1 0 315.465 2.362 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773274468 641752110 /nfs/dbraw/zinc/75/21/10/641752110.db2.gz UUJYRBRQNRDDAU-CQSZACIVSA-N 1 0 306.454 2.453 20 10 DECDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480043 641908919 /nfs/dbraw/zinc/90/89/19/641908919.db2.gz YVQHQCMPRRKLPY-KSSFIOAISA-N 1 0 311.429 2.500 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000776178045 642139860 /nfs/dbraw/zinc/13/98/60/642139860.db2.gz ZBMZITKQRBNOKH-GFCCVEGCSA-N 1 0 300.196 2.324 20 10 DECDRO CC(C)NC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723637 642149600 /nfs/dbraw/zinc/14/96/00/642149600.db2.gz CJHGYBUQGSEUOG-HNNXBMFYSA-N 1 0 308.495 2.228 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778187690 642350296 /nfs/dbraw/zinc/35/02/96/642350296.db2.gz DFGAKUJYEDOSFY-LBPRGKRZSA-N 1 0 322.206 2.456 20 10 DECDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000778216929 642354611 /nfs/dbraw/zinc/35/46/11/642354611.db2.gz RVMMVSYGWVGJBJ-WBVHZDCISA-N 1 0 322.424 2.303 20 10 DECDRO Oc1ccc(F)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000778996639 642453824 /nfs/dbraw/zinc/45/38/24/642453824.db2.gz VLRCRWOISBOBCM-MRXNPFEDSA-N 1 0 308.397 2.218 20 10 DECDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCC1 ZINC000779016750 642456007 /nfs/dbraw/zinc/45/60/07/642456007.db2.gz GGCDOGDNTZTOKO-CYBMUJFWSA-N 1 0 306.381 2.366 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(O)(C(F)F)CC2)c1O ZINC000779207063 642472463 /nfs/dbraw/zinc/47/24/63/642472463.db2.gz LHDXNYAWBWBGGH-UHFFFAOYSA-N 1 0 301.333 2.383 20 10 DECDRO CCOc1ccc(C[NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)c(O)c1 ZINC000780593261 642648082 /nfs/dbraw/zinc/64/80/82/642648082.db2.gz CXYIBFVSWCZTSV-AEFFLSMTSA-N 1 0 323.433 2.447 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000842614709 650781550 /nfs/dbraw/zinc/78/15/50/650781550.db2.gz BZWKROUIHGHHPU-AWEZNQCLSA-N 1 0 314.389 2.186 20 10 DECDRO COc1cc(C[N@H+](C)CCNC(C)=O)c(O)c(C(C)(C)C)c1 ZINC000842631587 650789739 /nfs/dbraw/zinc/78/97/39/650789739.db2.gz OWYDEJPQHIULMQ-UHFFFAOYSA-N 1 0 308.422 2.266 20 10 DECDRO C[N@H+](CC[C@@H]1CCOC1)Cc1ccc(N2CCOCC2)cc1 ZINC000783515120 643013252 /nfs/dbraw/zinc/01/32/52/643013252.db2.gz WPBCIBKRDGVGIX-QGZVFWFLSA-N 1 0 304.434 2.382 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC000783731054 643043563 /nfs/dbraw/zinc/04/35/63/643043563.db2.gz XPNXFXKCKGZAPO-QGZVFWFLSA-N 1 0 304.434 2.116 20 10 DECDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H](C)O1 ZINC000783969430 643074066 /nfs/dbraw/zinc/07/40/66/643074066.db2.gz VAHYHIPJKCAQID-GXTWGEPZSA-N 1 0 302.374 2.176 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000784043813 643088842 /nfs/dbraw/zinc/08/88/42/643088842.db2.gz FJVIUVYINABSFC-UHFFFAOYSA-N 1 0 321.417 2.338 20 10 DECDRO Oc1ccc(Br)cc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841074112 643139803 /nfs/dbraw/zinc/13/98/03/643139803.db2.gz BRRJEZKAGNCIKQ-LLVKDONJSA-N 1 0 321.165 2.242 20 10 DECDRO CC1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000842786279 650825309 /nfs/dbraw/zinc/82/53/09/650825309.db2.gz VGQKBMMGLDBGMK-MRXNPFEDSA-N 1 0 304.438 2.194 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]CC1(C3(O)CCOCC3)CC1)CC2 ZINC000903347473 643322399 /nfs/dbraw/zinc/32/23/99/643322399.db2.gz OQCGCOWSPBPYJQ-AWEZNQCLSA-N 1 0 303.402 2.291 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c(O)c1C ZINC000903433186 643348436 /nfs/dbraw/zinc/34/84/36/643348436.db2.gz WEEMBCUCQHXPLS-CYBMUJFWSA-N 1 0 317.389 2.012 20 10 DECDRO COC1(OC)CC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448775 643354810 /nfs/dbraw/zinc/35/48/10/643354810.db2.gz SLIWETMHHAMBNP-DLBZAZTESA-N 1 0 321.465 2.096 20 10 DECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787323737 643481699 /nfs/dbraw/zinc/48/16/99/643481699.db2.gz QETIBZYGMCXYEF-BTDLBPIBSA-N 1 0 319.332 2.472 20 10 DECDRO COCC[N@H+](Cc1ccnn1C)Cc1cc(C)c(C)cc1O ZINC000787330551 643483013 /nfs/dbraw/zinc/48/30/13/643483013.db2.gz BEACVSJOZJBAFZ-UHFFFAOYSA-N 1 0 303.406 2.391 20 10 DECDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cnnn1C ZINC000924796379 643607699 /nfs/dbraw/zinc/60/76/99/643607699.db2.gz VJJZHWMMPZJVNS-ZIAGYGMSSA-N 1 0 315.421 2.064 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC2(O)CCCC2)cc1F ZINC000905077327 643776630 /nfs/dbraw/zinc/77/66/30/643776630.db2.gz XIKSNAPBXAGXPK-CQSZACIVSA-N 1 0 310.413 2.037 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000790388684 643846049 /nfs/dbraw/zinc/84/60/49/643846049.db2.gz CFYHPOLGHVFOPE-CQSZACIVSA-N 1 0 321.417 2.479 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905292821 643848935 /nfs/dbraw/zinc/84/89/35/643848935.db2.gz RIPLEPUNSGMLFB-CRAIPNDOSA-N 1 0 320.477 2.248 20 10 DECDRO C[NH2+][C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843045197 650875679 /nfs/dbraw/zinc/87/56/79/650875679.db2.gz OZMVELZABLMETH-OAHLLOKOSA-N 1 0 318.421 2.379 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000791145266 643933552 /nfs/dbraw/zinc/93/35/52/643933552.db2.gz GXMFJZABXAKSIB-IQIBNGDESA-N 1 0 318.417 2.348 20 10 DECDRO COCCCn1nccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057994 650880236 /nfs/dbraw/zinc/88/02/36/650880236.db2.gz KIMJXHKBDLDKHZ-UHFFFAOYSA-N 1 0 314.433 2.331 20 10 DECDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@@](C)(F)C2)c1O ZINC000843124587 650901377 /nfs/dbraw/zinc/90/13/77/650901377.db2.gz CRHVFSQJMCNPLR-CQSZACIVSA-N 1 0 302.777 2.188 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccccc2-n2cncn2)c(O)c1 ZINC000793387633 644243782 /nfs/dbraw/zinc/24/37/82/644243782.db2.gz IZNQMKCDSVLGSG-UHFFFAOYSA-N 1 0 310.357 2.271 20 10 DECDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cc(OC)ccc2O)C1 ZINC000907060154 644433518 /nfs/dbraw/zinc/43/35/18/644433518.db2.gz LEQWAFNVAZVVLE-CYBMUJFWSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907272159 644488161 /nfs/dbraw/zinc/48/81/61/644488161.db2.gz FJXAFEKTIBSERM-DGCLKSJQSA-N 1 0 306.406 2.018 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796036554 644677520 /nfs/dbraw/zinc/67/75/20/644677520.db2.gz OHVPHHGXFBYMJS-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO CC(C)(C)CCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350956 650954626 /nfs/dbraw/zinc/95/46/26/650954626.db2.gz YUPNGUBHUPUKSZ-UHFFFAOYSA-N 1 0 303.450 2.450 20 10 DECDRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000843351611 650954798 /nfs/dbraw/zinc/95/47/98/650954798.db2.gz SUJVZNNJHXGPIF-GASCZTMLSA-N 1 0 315.461 2.402 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843417385 650970582 /nfs/dbraw/zinc/97/05/82/650970582.db2.gz FELBJLKQYZJKQB-MRXNPFEDSA-N 1 0 309.431 2.499 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccn3)C1)[C@H](O)CO2 ZINC000799158396 645136003 /nfs/dbraw/zinc/13/60/03/645136003.db2.gz KGVNKWFLMZVATO-SJKOYZFVSA-N 1 0 312.369 2.203 20 10 DECDRO CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000843989481 651059205 /nfs/dbraw/zinc/05/92/05/651059205.db2.gz OMAWGSXCPJHBSH-VSKVDJIOSA-N 1 0 304.390 2.054 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2c1 ZINC000808228094 646058793 /nfs/dbraw/zinc/05/87/93/646058793.db2.gz FVNFGEVHCJTGPZ-LBPRGKRZSA-N 1 0 314.385 2.251 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000840137076 646079759 /nfs/dbraw/zinc/07/97/59/646079759.db2.gz YKKSTEYFOIHZIB-QGZVFWFLSA-N 1 0 323.458 2.410 20 10 DECDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C12CCC2 ZINC000912599275 646112335 /nfs/dbraw/zinc/11/23/35/646112335.db2.gz IJFQOZUPZXJBOP-JKWYKVDLSA-N 1 0 316.401 2.100 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000809733388 646270953 /nfs/dbraw/zinc/27/09/53/646270953.db2.gz VBWSPBNASPHWPG-UHFFFAOYSA-N 1 0 301.342 2.477 20 10 DECDRO COc1cccc(C[NH2+]Cc2cnc3nc(C)cc(C)n23)c1O ZINC000809739794 646271881 /nfs/dbraw/zinc/27/18/81/646271881.db2.gz SRNXMYWPRJBZGV-UHFFFAOYSA-N 1 0 312.373 2.350 20 10 DECDRO CCN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749184 646276419 /nfs/dbraw/zinc/27/64/19/646276419.db2.gz COBHJUYHIJZLMU-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810216211 646339643 /nfs/dbraw/zinc/33/96/43/646339643.db2.gz FUHSPPDKVNRHJM-AAEUAGOBSA-N 1 0 320.355 2.374 20 10 DECDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000227702086 646605820 /nfs/dbraw/zinc/60/58/20/646605820.db2.gz JXLAIDPDBFMCIW-AWEZNQCLSA-N 1 0 322.405 2.118 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000229054077 646664232 /nfs/dbraw/zinc/66/42/32/646664232.db2.gz YKXZRRWTIXUFFR-SECBINFHSA-N 1 0 300.786 2.057 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cc(OC)ccc2O)n(C)c1C ZINC000812756647 646692191 /nfs/dbraw/zinc/69/21/91/646692191.db2.gz QTSTWACEAZASEI-UHFFFAOYSA-N 1 0 318.373 2.124 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c1 ZINC000813330683 646757113 /nfs/dbraw/zinc/75/71/13/646757113.db2.gz CUMTYMKPKAYTSM-NSHDSACASA-N 1 0 317.389 2.282 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813332775 646758031 /nfs/dbraw/zinc/75/80/31/646758031.db2.gz FKFYFZYOSPWOHG-GOSISDBHSA-N 1 0 320.433 2.156 20 10 DECDRO Cc1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1N(C)C ZINC000815056922 646960981 /nfs/dbraw/zinc/96/09/81/646960981.db2.gz YZBURNFTZWNQKW-UHFFFAOYSA-N 1 0 317.477 2.358 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1N(C)C ZINC000815060883 646961091 /nfs/dbraw/zinc/96/10/91/646961091.db2.gz DRQFKAISPOWVTI-ROUUACIJSA-N 1 0 304.434 2.441 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)[C@H]1n1cccn1 ZINC000815166664 646982571 /nfs/dbraw/zinc/98/25/71/646982571.db2.gz HKWVLJAOOLMOPG-USXIJHARSA-N 1 0 301.390 2.405 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1 ZINC000816550426 647150335 /nfs/dbraw/zinc/15/03/35/647150335.db2.gz QPLSNXGBLFFVDZ-UHFFFAOYSA-N 1 0 314.341 2.136 20 10 DECDRO Oc1c(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)ccc2ccccc21 ZINC000816548479 647150752 /nfs/dbraw/zinc/15/07/52/647150752.db2.gz JGEQCWVDZOVVJL-SJORKVTESA-N 1 0 312.413 2.498 20 10 DECDRO COc1ccc(CNC(=O)NCc2cc(C)nc(C)c2)c(O)c1 ZINC000817171064 647236516 /nfs/dbraw/zinc/23/65/16/647236516.db2.gz QKAWPEBWVMHVDE-UHFFFAOYSA-N 1 0 315.373 2.412 20 10 DECDRO CCCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000817410835 647288149 /nfs/dbraw/zinc/28/81/49/647288149.db2.gz IJOWRALBXYDZRC-AWEZNQCLSA-N 1 0 307.413 2.240 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000817776030 647359238 /nfs/dbraw/zinc/35/92/38/647359238.db2.gz ZSGPBZYFFMGXHO-AWEZNQCLSA-N 1 0 322.428 2.127 20 10 DECDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898398 647376516 /nfs/dbraw/zinc/37/65/16/647376516.db2.gz HNBPQJZEQJMKAW-RDJZCZTQSA-N 1 0 303.450 2.143 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000817938858 647388301 /nfs/dbraw/zinc/38/83/01/647388301.db2.gz UOZHICWUJHKPMV-LBPRGKRZSA-N 1 0 306.406 2.491 20 10 DECDRO CCn1ccnc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942245 647388861 /nfs/dbraw/zinc/38/88/61/647388861.db2.gz NKTRRWNKCWGEPV-CJNGLKHVSA-N 1 0 301.438 2.320 20 10 DECDRO CC[NH2+]CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817951253 647391684 /nfs/dbraw/zinc/39/16/84/647391684.db2.gz CHUUVDRVYWEHQD-ZDUSSCGKSA-N 1 0 311.857 2.437 20 10 DECDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817952013 647391974 /nfs/dbraw/zinc/39/19/74/647391974.db2.gz MTSRSXHHDWOCAZ-UKRRQHHQSA-N 1 0 307.413 2.065 20 10 DECDRO Nc1ccc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000817955957 647392894 /nfs/dbraw/zinc/39/28/94/647392894.db2.gz MCNLGWWNJUQVEL-UHFFFAOYSA-N 1 0 310.445 2.461 20 10 DECDRO CCC[NH2+]CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817963627 647394969 /nfs/dbraw/zinc/39/49/69/647394969.db2.gz WPORTWWZAZEQCT-CQSZACIVSA-N 1 0 309.429 2.313 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(C(F)(F)F)cc1O ZINC000817982805 647400034 /nfs/dbraw/zinc/40/00/34/647400034.db2.gz HNAVQXLFVZVPBQ-AAEUAGOBSA-N 1 0 318.339 2.440 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)NCCCCC[NH+]1CCCC1 ZINC000818343275 647456891 /nfs/dbraw/zinc/45/68/91/647456891.db2.gz PCXWLVGZEQJZSK-CLFYSBASSA-N 1 0 318.417 2.493 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000818357562 647457430 /nfs/dbraw/zinc/45/74/30/647457430.db2.gz AHMBTGCDCPKHFV-IUIKQTSFSA-N 1 0 310.825 2.351 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CSC)cc1F ZINC000819041048 647570267 /nfs/dbraw/zinc/57/02/67/647570267.db2.gz DHJNKEPCJXGZSE-CYBMUJFWSA-N 1 0 300.443 2.485 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000915830843 647645275 /nfs/dbraw/zinc/64/52/75/647645275.db2.gz VHXRXEQJKMRGNN-GFCCVEGCSA-N 1 0 320.433 2.396 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000819374584 647646291 /nfs/dbraw/zinc/64/62/91/647646291.db2.gz GKYRZSADYWCERX-KBPBESRZSA-N 1 0 312.479 2.015 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000821442733 648064460 /nfs/dbraw/zinc/06/44/60/648064460.db2.gz KFOXFHZMXCVNOG-VXGBXAGGSA-N 1 0 317.393 2.404 20 10 DECDRO COCCC[N@H+](CCOC)Cc1c(O)ccc2ccncc21 ZINC000921057020 648270972 /nfs/dbraw/zinc/27/09/72/648270972.db2.gz XRBJXLYXVLAKCV-UHFFFAOYSA-N 1 0 304.390 2.425 20 10 DECDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000238141773 648487605 /nfs/dbraw/zinc/48/76/05/648487605.db2.gz VWMCVMBZYYFELZ-UHFFFAOYSA-N 1 0 304.434 2.308 20 10 DECDRO 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304.434 2.239 20 10 DECDRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000830597385 649465870 /nfs/dbraw/zinc/46/58/70/649465870.db2.gz GPCSEYZNPARXRR-CYBMUJFWSA-N 1 0 302.418 2.277 20 10 DECDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000830648755 649473354 /nfs/dbraw/zinc/47/33/54/649473354.db2.gz RRJFIJKWUHQKDG-UYAOXDASSA-N 1 0 324.424 2.099 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831180098 649549234 /nfs/dbraw/zinc/54/92/34/649549234.db2.gz JTMSGLISCLJVPQ-MRXNPFEDSA-N 1 0 317.433 2.456 20 10 DECDRO CCO[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000832266943 649690619 /nfs/dbraw/zinc/69/06/19/649690619.db2.gz LDTPAVRUNRVOIK-IRXDYDNUSA-N 1 0 321.465 2.320 20 10 DECDRO COc1ccsc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272285 649690910 /nfs/dbraw/zinc/69/09/10/649690910.db2.gz DQLKVTUOAULGGO-ZDUSSCGKSA-N 1 0 319.430 2.253 20 10 DECDRO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399674 651122866 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CCc1cccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000848910879 651555866 /nfs/dbraw/zinc/55/58/66/651555866.db2.gz AVAPSIMLPFSRDS-INIZCTEOSA-N 1 0 302.418 2.399 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000108567738 651664887 /nfs/dbraw/zinc/66/48/87/651664887.db2.gz WEOZZHLXVHFBIK-CQSZACIVSA-N 1 0 322.428 2.033 20 10 DECDRO COC[C@@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850242382 651874330 /nfs/dbraw/zinc/87/43/30/651874330.db2.gz RABFOBYMVACJNU-CQSZACIVSA-N 1 0 311.422 2.449 20 10 DECDRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850281098 651886609 /nfs/dbraw/zinc/88/66/09/651886609.db2.gz OSUITKANRKGVLW-KZULUSFZSA-N 1 0 323.433 2.328 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(C)c[nH]3)C2)cc1 ZINC000850329932 651900021 /nfs/dbraw/zinc/90/00/21/651900021.db2.gz GJXKBNKWBTZZRF-CQSZACIVSA-N 1 0 300.406 2.343 20 10 DECDRO CCn1cncc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346789 651904880 /nfs/dbraw/zinc/90/48/80/651904880.db2.gz KBQXDPUPLCAWOO-AWEZNQCLSA-N 1 0 300.406 2.280 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)nc3)C2)cc1 ZINC000850347091 651904884 /nfs/dbraw/zinc/90/48/84/651904884.db2.gz NGGFNYBZHFAFDE-OAHLLOKOSA-N 1 0 313.401 2.467 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)CS1(=O)=O ZINC000850369325 651913404 /nfs/dbraw/zinc/91/34/04/651913404.db2.gz VJGNGQCKCTUFSU-ZJUUUORDSA-N 1 0 303.811 2.101 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN(C)C(=O)OC)cc1F ZINC000850389671 651918306 /nfs/dbraw/zinc/91/83/06/651918306.db2.gz CWJJJCZYCUNMRK-UHFFFAOYSA-N 1 0 311.401 2.460 20 10 DECDRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000850494868 651939906 /nfs/dbraw/zinc/93/99/06/651939906.db2.gz YNYNEDHVRUQXNL-MLGOLLRUSA-N 1 0 309.406 2.493 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000850566169 651954176 /nfs/dbraw/zinc/95/41/76/651954176.db2.gz KUUPTOJEICCMAV-HOCLYGCPSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c1O ZINC000857064196 652044140 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COc1ccc(N2CC[C@H](NC(=O)CCCCCC[NH3+])C2)cc1 ZINC000852843829 652468137 /nfs/dbraw/zinc/46/81/37/652468137.db2.gz IBIXZGQXDKKIPK-HNNXBMFYSA-N 1 0 319.449 2.299 20 10 DECDRO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077204649 683949998 /nfs/dbraw/zinc/94/99/98/683949998.db2.gz OTUXNMFXTFGUPM-FUHWJXTLSA-N 1 0 304.434 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000079854619 683975467 /nfs/dbraw/zinc/97/54/67/683975467.db2.gz SPBBVZFKOHLGRY-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000093278009 684048376 /nfs/dbraw/zinc/04/83/76/684048376.db2.gz SLFMBFXDBVZDME-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO CCNC(=O)CN(C)Cc1cc(Br)cc(C)c1O ZINC000124559224 684135875 /nfs/dbraw/zinc/13/58/75/684135875.db2.gz CNISVUZCAORQSP-UHFFFAOYSA-N 1 0 315.211 2.031 20 10 DECDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000132040219 684204976 /nfs/dbraw/zinc/20/49/76/684204976.db2.gz NORBAMARSLGUNJ-NSHDSACASA-N 1 0 316.195 2.384 20 10 DECDRO CN(C)c1ccc(CN(C)CN2C[C@@H](C3CC3)CC2=O)cc1 ZINC000134740897 684229779 /nfs/dbraw/zinc/22/97/79/684229779.db2.gz YZMPYGDECCATBB-INIZCTEOSA-N 1 0 301.434 2.400 20 10 DECDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1cc(Br)ccc1O ZINC000136092952 684238348 /nfs/dbraw/zinc/23/83/48/684238348.db2.gz HNELCAQCZVKBNY-KCJUWKMLSA-N 1 0 315.211 2.459 20 10 DECDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000136847939 684241796 /nfs/dbraw/zinc/24/17/96/684241796.db2.gz AESAMEAUJKFHQT-WBVHZDCISA-N 1 0 304.434 2.116 20 10 DECDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304049627 685244806 /nfs/dbraw/zinc/24/48/06/685244806.db2.gz KMOXDVPJPUVARZ-QGZVFWFLSA-N 1 0 310.413 2.159 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CSC)C[C@H]2C)cc1C ZINC001054365772 693950420 /nfs/dbraw/zinc/95/04/20/693950420.db2.gz LGSDTCKWRKLWMV-HIFRSBDPSA-N 1 0 322.474 2.303 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CSC)C[C@@H]2C)cc1C ZINC001054365774 693950584 /nfs/dbraw/zinc/95/05/84/693950584.db2.gz LGSDTCKWRKLWMV-ZFWWWQNUSA-N 1 0 322.474 2.303 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000861562443 686145831 /nfs/dbraw/zinc/14/58/31/686145831.db2.gz XRBLSZQCDLTKIB-ZBFHGGJFSA-N 1 0 318.465 2.473 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCSc1nccs1 ZINC000861609366 686158909 /nfs/dbraw/zinc/15/89/09/686158909.db2.gz IBFXAHLGFKJAFS-WDEREUQCSA-N 1 0 314.480 2.065 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@]1(CO)CCOC1 ZINC000862427171 686300261 /nfs/dbraw/zinc/30/02/61/686300261.db2.gz VNIPCKBOGDPCOX-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO COc1cccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000862433244 686301965 /nfs/dbraw/zinc/30/19/65/686301965.db2.gz UHSYFRHATAZNMS-QGZVFWFLSA-N 1 0 303.358 2.104 20 10 DECDRO COC[C@]1(C)C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000863343145 686481402 /nfs/dbraw/zinc/48/14/02/686481402.db2.gz RDZHRBLNRHUGRO-KRWDZBQOSA-N 1 0 302.374 2.178 20 10 DECDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000863546857 686519462 /nfs/dbraw/zinc/51/94/62/686519462.db2.gz NUFTVMWYALPJFI-HEHGZKQESA-N 1 0 307.413 2.063 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1O ZINC000865780517 687331904 /nfs/dbraw/zinc/33/19/04/687331904.db2.gz LXJLJMMHLJQEHW-CQSZACIVSA-N 1 0 307.390 2.076 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000865784491 687333849 /nfs/dbraw/zinc/33/38/49/687333849.db2.gz ZCCCCGHOURLJBR-NWDGAFQWSA-N 1 0 313.492 2.472 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1O ZINC000868397342 688001816 /nfs/dbraw/zinc/00/18/16/688001816.db2.gz SBEPHIBJOJPEBP-SLEUVZQESA-N 1 0 303.406 2.235 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001019251125 688308835 /nfs/dbraw/zinc/30/88/35/688308835.db2.gz YTHIHVPSFGRYNM-RCBQFDQVSA-N 1 0 302.418 2.350 20 10 DECDRO O=C(CC[NH2+]CC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000870894060 688680115 /nfs/dbraw/zinc/68/01/15/688680115.db2.gz GGZXZUWMSRWHEL-UHFFFAOYSA-N 1 0 302.418 2.277 20 10 DECDRO O=C1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCCN1 ZINC000872824626 689101448 /nfs/dbraw/zinc/10/14/48/689101448.db2.gz GEMLULKCMLRXRA-UHFFFAOYSA-N 1 0 314.385 2.339 20 10 DECDRO CC[C@H](CCO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873058405 689150537 /nfs/dbraw/zinc/15/05/37/689150537.db2.gz FJBAWAYTGUNCLR-MRXNPFEDSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)CC2CC2)cc1Cn1cccn1 ZINC000873094319 689157998 /nfs/dbraw/zinc/15/79/98/689157998.db2.gz BBZIMABHHBVGTA-KRWDZBQOSA-N 1 0 315.417 2.191 20 10 DECDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1C ZINC000873132602 689166109 /nfs/dbraw/zinc/16/61/09/689166109.db2.gz YWBUISSYPLWQHS-UHFFFAOYSA-N 1 0 311.447 2.451 20 10 DECDRO COc1ccc(C[NH2+]CCOCCF)cc1Cn1cccn1 ZINC000873140442 689168434 /nfs/dbraw/zinc/16/84/34/689168434.db2.gz NSKZTHLAUBUCNQ-UHFFFAOYSA-N 1 0 307.369 2.016 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C ZINC000873171432 689175975 /nfs/dbraw/zinc/17/59/75/689175975.db2.gz KGJMSEJVSSBCSI-VHRNVKJDSA-N 1 0 323.458 2.454 20 10 DECDRO CC[C@H]1COCCN1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000873190102 689179477 /nfs/dbraw/zinc/17/94/77/689179477.db2.gz ZHPOHXASJURZPL-HNNXBMFYSA-N 1 0 309.429 2.092 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH2+]CC1 ZINC000873221305 689186812 /nfs/dbraw/zinc/18/68/12/689186812.db2.gz PCPJQJGQWBCIFC-SECBINFHSA-N 1 0 313.785 2.432 20 10 DECDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506207 689841725 /nfs/dbraw/zinc/84/17/25/689841725.db2.gz HDQSJQXLIMTYMV-UTVHMOSLSA-N 1 0 301.434 2.161 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3c(C)cccc3O)CC2)on1 ZINC000876554826 689854769 /nfs/dbraw/zinc/85/47/69/689854769.db2.gz URTWXLFYDKYMDG-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)CO1 ZINC000876597739 689870978 /nfs/dbraw/zinc/87/09/78/689870978.db2.gz QWDXIVUFENSONJ-LSDHHAIUSA-N 1 0 304.434 2.257 20 10 DECDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876740276 689922849 /nfs/dbraw/zinc/92/28/49/689922849.db2.gz KJUBVMPIAOIDID-MRXNPFEDSA-N 1 0 303.450 2.449 20 10 DECDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]C(C)C)CC2)cc(OC)n1 ZINC001034681311 689925651 /nfs/dbraw/zinc/92/56/51/689925651.db2.gz SLCKDZJNSXAZKC-HDJSIYSDSA-N 1 0 321.421 2.138 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000876962697 689984209 /nfs/dbraw/zinc/98/42/09/689984209.db2.gz UNMIARDLHISPEK-UHFFFAOYSA-N 1 0 305.399 2.264 20 10 DECDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCO1 ZINC000877101861 690018477 /nfs/dbraw/zinc/01/84/77/690018477.db2.gz SOSOTENPZJMPNY-SFHVURJKSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)c1ccccc1O ZINC000877255818 690057951 /nfs/dbraw/zinc/05/79/51/690057951.db2.gz HWHRJABXNKBGEK-CYBMUJFWSA-N 1 0 310.397 2.458 20 10 DECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877307518 690071770 /nfs/dbraw/zinc/07/17/70/690071770.db2.gz IDERMUVKGJDCKP-RDTXWAMCSA-N 1 0 304.434 2.305 20 10 DECDRO CC(C)n1ncnc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000877341429 690081303 /nfs/dbraw/zinc/08/13/03/690081303.db2.gz CMMHDINXXUAAON-UHFFFAOYSA-N 1 0 317.437 2.436 20 10 DECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877406587 690104197 /nfs/dbraw/zinc/10/41/97/690104197.db2.gz YKWFLTTVSWGGGD-KZSQQDEKSA-N 1 0 304.434 2.064 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)N1C ZINC000877552158 690150048 /nfs/dbraw/zinc/15/00/48/690150048.db2.gz LHRGZPKBUJBLEG-IYBDPMFKSA-N 1 0 317.477 2.172 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000877556965 690151114 /nfs/dbraw/zinc/15/11/14/690151114.db2.gz LOJPWCMIFKDXEV-AWEZNQCLSA-N 1 0 317.410 2.361 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c(O)c1 ZINC000877562320 690153016 /nfs/dbraw/zinc/15/30/16/690153016.db2.gz RTBKWCZPBRGIGQ-HNNXBMFYSA-N 1 0 303.406 2.284 20 10 DECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c(O)c1 ZINC000877572857 690156265 /nfs/dbraw/zinc/15/62/65/690156265.db2.gz LWIZZQGGBSDTHI-ZDUSSCGKSA-N 1 0 312.360 2.436 20 10 DECDRO OCCC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877577670 690157023 /nfs/dbraw/zinc/15/70/23/690157023.db2.gz YKJYJGJFYPQESL-INIZCTEOSA-N 1 0 318.461 2.242 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000877584383 690159035 /nfs/dbraw/zinc/15/90/35/690159035.db2.gz DVCJCVLKFIHJEN-MRXNPFEDSA-N 1 0 321.417 2.206 20 10 DECDRO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877591368 690161483 /nfs/dbraw/zinc/16/14/83/690161483.db2.gz CPRYEJGTVNPMGO-SJORKVTESA-N 1 0 318.461 2.288 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(O)c1 ZINC000877636084 690174392 /nfs/dbraw/zinc/17/43/92/690174392.db2.gz MNVYDGBTCYXUKW-QZTJIDSGSA-N 1 0 316.445 2.434 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691610 690192864 /nfs/dbraw/zinc/19/28/64/690192864.db2.gz MOOJKYAGLLHDGV-UHFFFAOYSA-N 1 0 320.477 2.408 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877693586 690193148 /nfs/dbraw/zinc/19/31/48/690193148.db2.gz LEPZZRGFEXCMFJ-WDEREUQCSA-N 1 0 305.296 2.003 20 10 DECDRO CCOc1cccc(C[NH2+]Cc2cc(C(=O)OC)co2)c1O ZINC000877698581 690195572 /nfs/dbraw/zinc/19/55/72/690195572.db2.gz LVLUQXJKZGUJQQ-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@H]3CCOC3)CC2)c(OC)c1 ZINC000877708331 690198756 /nfs/dbraw/zinc/19/87/56/690198756.db2.gz IRCSCHHXQJWIOM-HNNXBMFYSA-N 1 0 320.433 2.252 20 10 DECDRO COC(=O)C1CC([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000877723681 690205215 /nfs/dbraw/zinc/20/52/15/690205215.db2.gz ONPJEXWFTQHTEQ-UHFFFAOYSA-N 1 0 314.179 2.196 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000877729408 690207252 /nfs/dbraw/zinc/20/72/52/690207252.db2.gz RRGQKRBLYFLJHR-OAHLLOKOSA-N 1 0 307.390 2.076 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000877785991 690228499 /nfs/dbraw/zinc/22/84/99/690228499.db2.gz PLSDNBYPAQZNDC-UHFFFAOYSA-N 1 0 312.797 2.244 20 10 DECDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036310433 690317649 /nfs/dbraw/zinc/31/76/49/690317649.db2.gz XKPRCTYARSSQBD-SMDDNHRTSA-N 1 0 317.393 2.309 20 10 DECDRO C[NH+](C)C1(C)CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000881433887 691096588 /nfs/dbraw/zinc/09/65/88/691096588.db2.gz QKLPIKYJUYDJCF-UHFFFAOYSA-N 1 0 310.369 2.230 20 10 DECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000881440612 691098615 /nfs/dbraw/zinc/09/86/15/691098615.db2.gz IEDQPUBUIXFGDI-GUYCJALGSA-N 1 0 320.433 2.363 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CCC4)cc2)CC1 ZINC000881850699 691173705 /nfs/dbraw/zinc/17/37/05/691173705.db2.gz COLDOJKQJHNUEV-QGZVFWFLSA-N 1 0 313.445 2.245 20 10 DECDRO CCC(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852122 691173734 /nfs/dbraw/zinc/17/37/34/691173734.db2.gz WTWATDMTURGFNS-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2)CC1 ZINC000881853345 691173793 /nfs/dbraw/zinc/17/37/93/691173793.db2.gz SDIOOSIEARKBIP-UHFFFAOYSA-N 1 0 319.424 2.194 20 10 DECDRO C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881852397 691173996 /nfs/dbraw/zinc/17/39/96/691173996.db2.gz ONPHISRRUMURRO-RDJZCZTQSA-N 1 0 315.461 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc[nH]3)cc2)CC1 ZINC000881854053 691174327 /nfs/dbraw/zinc/17/43/27/691174327.db2.gz SYCVOYPNEIAFEL-RMKNXTFCSA-N 1 0 324.428 2.096 20 10 DECDRO CC[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854281 691174623 /nfs/dbraw/zinc/17/46/23/691174623.db2.gz ZQYUQFCVTIUZCC-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(OC)n1 ZINC000883123061 691433581 /nfs/dbraw/zinc/43/35/81/691433581.db2.gz JLGRSOZGFUXMNM-UHFFFAOYSA-N 1 0 310.300 2.372 20 10 DECDRO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000883374661 691492626 /nfs/dbraw/zinc/49/26/26/691492626.db2.gz KURDTOAYGIDGKA-QFOLPQNPSA-N 1 0 313.394 2.245 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883395970 691497216 /nfs/dbraw/zinc/49/72/16/691497216.db2.gz GIIPDPLWVAVHFD-DGCLKSJQSA-N 1 0 304.390 2.062 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)ccc1OC ZINC000886229026 692030989 /nfs/dbraw/zinc/03/09/89/692030989.db2.gz JQUQJPXFUVYYDM-DLBZAZTESA-N 1 0 323.433 2.251 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccnc3)cc2)CC1 ZINC000886325872 692056756 /nfs/dbraw/zinc/05/67/56/692056756.db2.gz TWQXXMUFPPOCFG-UHFFFAOYSA-N 1 0 324.428 2.073 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000886810808 692196787 /nfs/dbraw/zinc/19/67/87/692196787.db2.gz DVAQWFFSKRTRRT-AWEZNQCLSA-N 1 0 302.340 2.499 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])NCC3CC3)C2)cc1 ZINC000887361630 692345401 /nfs/dbraw/zinc/34/54/01/692345401.db2.gz DOAGGQVXKHDESA-AWEZNQCLSA-N 1 0 302.422 2.045 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H](C)CCCO)c2cc(F)ccc2n1C ZINC000894352218 692981850 /nfs/dbraw/zinc/98/18/50/692981850.db2.gz MBMYLBMOBRCYDG-LLVKDONJSA-N 1 0 322.380 2.355 20 10 DECDRO COc1cc(O)c(C[NH2+]C2CCC3(COC3)CC2)cc1OC ZINC000895694957 692997992 /nfs/dbraw/zinc/99/79/92/692997992.db2.gz NVHRDNBEVSNENA-UHFFFAOYSA-N 1 0 307.390 2.458 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)CO ZINC000924717573 693176112 /nfs/dbraw/zinc/17/61/12/693176112.db2.gz VTVWPSDJPBWFFK-CYBMUJFWSA-N 1 0 310.413 2.159 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925840248 693351558 /nfs/dbraw/zinc/35/15/58/693351558.db2.gz HJJCJAFWVCFQPJ-BJOOFOGMSA-N 1 0 318.417 2.362 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001334775317 1150341647 /nfs/dbraw/zinc/34/16/47/1150341647.db2.gz VSIXFQPBJZOBGO-NEPJUHHUSA-N 1 0 316.323 2.442 20 10 DECDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001345607401 1150899086 /nfs/dbraw/zinc/89/90/86/1150899086.db2.gz XLSLCKALNIXTEJ-AAVRWANBSA-N 1 0 310.413 2.298 20 10 DECDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001346173377 1150947584 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O=C(/C=C\c1ccc(O)c(O)c1)NCCCNc1ccccn1 ZINC000588407151 777084296 /nfs/dbraw/zinc/08/42/96/777084296.db2.gz INGMAGJUYGGGJJ-VURMDHGXSA-N 1 0 313.357 2.124 20 10 DECDRO CC[C@H](C)OCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125831183 777919214 /nfs/dbraw/zinc/91/92/14/777919214.db2.gz KQSFXCICCDNEAX-AWEZNQCLSA-N 1 0 308.422 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)SC)cc1C ZINC001125878096 778213709 /nfs/dbraw/zinc/21/37/09/778213709.db2.gz LDJGOTWGTYGQQJ-CYBMUJFWSA-N 1 0 310.463 2.351 20 10 DECDRO CCO[C@@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001127002075 781599087 /nfs/dbraw/zinc/59/90/87/781599087.db2.gz MIABTTYBTCHDOI-QGZVFWFLSA-N 1 0 322.449 2.271 20 10 DECDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1C ZINC001144520157 790938520 /nfs/dbraw/zinc/93/85/20/790938520.db2.gz HYCZKUORJVNAMH-NEPJUHHUSA-N 1 0 323.389 2.215 20 10 DECDRO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001144519926 790939189 /nfs/dbraw/zinc/93/91/89/790939189.db2.gz DRDOKVYDNDIJOS-GJZGRUSLSA-N 1 0 324.396 2.202 20 10 DECDRO CCc1nnc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)o1 ZINC001144515837 790943364 /nfs/dbraw/zinc/94/33/64/790943364.db2.gz ZZYQBDRMISRRNQ-UHFFFAOYSA-N 1 0 319.361 2.128 20 10 DECDRO COCC[N@H+](C)Cc1ccnc(NCc2ccc(O)c(O)c2)c1 ZINC001169993195 785810489 /nfs/dbraw/zinc/81/04/89/785810489.db2.gz QDACLBMBRKIMEW-UHFFFAOYSA-N 1 0 317.389 2.183 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H](OC)C2)cc1C ZINC001130550655 787427588 /nfs/dbraw/zinc/42/75/88/787427588.db2.gz MIPCAIPDXDISAV-HOTGVXAUSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](OC)C2)cc1C ZINC001130550654 787427951 /nfs/dbraw/zinc/42/79/51/787427951.db2.gz MIPCAIPDXDISAV-CVEARBPZSA-N 1 0 320.433 2.025 20 10 DECDRO COCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133492961 788451869 /nfs/dbraw/zinc/45/18/69/788451869.db2.gz YVOITSIQRSOKGT-CABCVRRESA-N 1 0 322.449 2.413 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C2(CF)CCC2)cc1C ZINC001134043361 788733447 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CCc1cccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC001119516707 795315876 /nfs/dbraw/zinc/31/58/76/795315876.db2.gz HEGKYJLCNFIIGX-MRXNPFEDSA-N 1 0 305.418 2.318 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206444947 795436437 /nfs/dbraw/zinc/43/64/37/795436437.db2.gz MLAQOMQCTIEGOE-WDEREUQCSA-N 1 0 322.302 2.204 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001120486112 795471090 /nfs/dbraw/zinc/47/10/90/795471090.db2.gz SDSKUHNLMBYYAZ-ZBFHGGJFSA-N 1 0 318.465 2.188 20 10 DECDRO Nc1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC001120622794 795500551 /nfs/dbraw/zinc/50/05/51/795500551.db2.gz DBYUKMSNLXGUKL-UHFFFAOYSA-N 1 0 304.438 2.334 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(O)c1 ZINC001182433874 795675695 /nfs/dbraw/zinc/67/56/95/795675695.db2.gz LDBBBJQUVCHTQI-LLVKDONJSA-N 1 0 300.349 2.138 20 10 DECDRO CC[NH+](CC)CCCN1CCN(Cc2c(O)cccc2F)CC1 ZINC001137838706 796143672 /nfs/dbraw/zinc/14/36/72/796143672.db2.gz IEHHWUZYWWXIKZ-UHFFFAOYSA-N 1 0 323.456 2.381 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854276 796146392 /nfs/dbraw/zinc/14/63/92/796146392.db2.gz PGFSGDYLUULWEM-PKOBYXMFSA-N 1 0 314.429 2.269 20 10 DECDRO O=C1NCC[C@]12CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138215828 796184284 /nfs/dbraw/zinc/18/42/84/796184284.db2.gz WRCTZHASNVOQET-LJQANCHMSA-N 1 0 313.445 2.389 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c2ccccc2n1C ZINC001138252377 796188447 /nfs/dbraw/zinc/18/84/47/796188447.db2.gz DXMVEHIRFYBCTQ-ROUUACIJSA-N 1 0 302.418 2.052 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338938 796199892 /nfs/dbraw/zinc/19/98/92/796199892.db2.gz WOWYKTVUKQHSOE-IBGZPJMESA-N 1 0 316.445 2.295 20 10 DECDRO Oc1c(C[N@@H+]2CCC3(COC3)C2)cc2c3c1CCCN3CCC2 ZINC001138338639 796200701 /nfs/dbraw/zinc/20/07/01/796200701.db2.gz RSUZDQHRBLKKEH-UHFFFAOYSA-N 1 0 314.429 2.313 20 10 DECDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357056 796204070 /nfs/dbraw/zinc/20/40/70/796204070.db2.gz AGBVSSLUIAXVAN-QGZVFWFLSA-N 1 0 301.434 2.122 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCC1=O ZINC001138496519 796226997 /nfs/dbraw/zinc/22/69/97/796226997.db2.gz SKWFHVBOLWFDQC-OAHLLOKOSA-N 1 0 302.418 2.324 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCC1=O ZINC001138496518 796227430 /nfs/dbraw/zinc/22/74/30/796227430.db2.gz SKWFHVBOLWFDQC-HNNXBMFYSA-N 1 0 302.418 2.324 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001138495244 796227442 /nfs/dbraw/zinc/22/74/42/796227442.db2.gz GHGADJZUMFXNLQ-SFHVURJKSA-N 1 0 302.418 2.278 20 10 DECDRO CCOc1cccc(CN2CC[NH+](CCC(C)(C)O)CC2)c1O ZINC001203614987 796234662 /nfs/dbraw/zinc/23/46/62/796234662.db2.gz JQBDFSYDRPDHHS-UHFFFAOYSA-N 1 0 322.449 2.070 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC001203630383 796329787 /nfs/dbraw/zinc/32/97/87/796329787.db2.gz RIKABAMTZVGASP-HNNXBMFYSA-N 1 0 318.417 2.235 20 10 DECDRO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140057394 796472192 /nfs/dbraw/zinc/47/21/92/796472192.db2.gz FHBQGZZWUHDANN-UHFFFAOYSA-N 1 0 310.369 2.488 20 10 DECDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1c(C)ccc(C)c1O)C2 ZINC001140184508 796487691 /nfs/dbraw/zinc/48/76/91/796487691.db2.gz XDDNNZVQTLPVAI-OAHLLOKOSA-N 1 0 319.401 2.021 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCCC1=O ZINC001140283634 796501564 /nfs/dbraw/zinc/50/15/64/796501564.db2.gz ZCEFJPMJLUPQQO-HNNXBMFYSA-N 1 0 316.445 2.449 20 10 DECDRO COc1ncnc2c1CC[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140340228 796509723 /nfs/dbraw/zinc/50/97/23/796509723.db2.gz TZQGAEZDJQZBDR-UHFFFAOYSA-N 1 0 319.792 2.445 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1C(=O)N=CNC1=O ZINC001140475558 796527407 /nfs/dbraw/zinc/52/74/07/796527407.db2.gz NYLCHNBDDBNPRP-UHFFFAOYSA-N 1 0 314.389 2.120 20 10 DECDRO CCn1nnc2c1CCN(Cc1cc(C)ccc1O)[C@H]2COC ZINC001140619454 796547134 /nfs/dbraw/zinc/54/71/34/796547134.db2.gz DNZDPWMWMDLYKV-HNNXBMFYSA-N 1 0 316.405 2.058 20 10 DECDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660142 796552275 /nfs/dbraw/zinc/55/22/75/796552275.db2.gz HIKJGUCWWBEIQF-HUUCEWRRSA-N 1 0 322.424 2.255 20 10 DECDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660455 796552325 /nfs/dbraw/zinc/55/23/25/796552325.db2.gz SAZPLFPXMCLFKB-SFHVURJKSA-N 1 0 322.424 2.399 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001140664582 796552914 /nfs/dbraw/zinc/55/29/14/796552914.db2.gz MOJXDXGFXOEZBR-CRAIPNDOSA-N 1 0 320.408 2.273 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001140663389 796553600 /nfs/dbraw/zinc/55/36/00/796553600.db2.gz CLWYNDKFJKOCLW-GOSISDBHSA-N 1 0 320.408 2.417 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC001140746286 796566602 /nfs/dbraw/zinc/56/66/02/796566602.db2.gz XRXHQIXWKLFUTD-HNNXBMFYSA-N 1 0 300.358 2.455 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1O ZINC001140748737 796567153 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CN1CCOc2cc(C[N@@H+]3CCC[C@](O)(CF)CC3)ccc21 ZINC001141140773 796639022 /nfs/dbraw/zinc/63/90/22/796639022.db2.gz PIZGZQRRTXXZSP-QGZVFWFLSA-N 1 0 308.397 2.202 20 10 DECDRO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141156711 796641839 /nfs/dbraw/zinc/64/18/39/796641839.db2.gz RQVQLDKTTYFUFQ-UHFFFAOYSA-N 1 0 308.378 2.054 20 10 DECDRO O=C(NCc1cc(O)ccc1O)c1ccc(C[NH+]2CCCC2)o1 ZINC001153886084 797417685 /nfs/dbraw/zinc/41/76/85/797417685.db2.gz VSBHGURRVIPZKH-UHFFFAOYSA-N 1 0 316.357 2.217 20 10 DECDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203880029 798204681 /nfs/dbraw/zinc/20/46/81/798204681.db2.gz MICVQKWQZYVRNJ-LBPRGKRZSA-N 1 0 303.362 2.423 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(NC3=CC[NH2+]C3)ccc(O)c21 ZINC001159783760 798607548 /nfs/dbraw/zinc/60/75/48/798607548.db2.gz KLBCJGIVWALNLQ-UHFFFAOYSA-N 1 0 306.321 2.067 20 10 DECDRO COCC(=O)NCCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001163041398 799228325 /nfs/dbraw/zinc/22/83/25/799228325.db2.gz LXPZCCDBEXUKLS-UHFFFAOYSA-N 1 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O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(O)c(O)c2)N1CC1CC1 ZINC001203878122 800138349 /nfs/dbraw/zinc/13/83/49/800138349.db2.gz PSDOFUSASXKQSS-GJZGRUSLSA-N 1 0 316.401 2.073 20 10 DECDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)ccn1 ZINC001203882264 800139488 /nfs/dbraw/zinc/13/94/88/800139488.db2.gz ASAMSVIKFLIGPF-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)cc1 ZINC001203932170 800147661 /nfs/dbraw/zinc/14/76/61/800147661.db2.gz UWVLXOMGHBDTDX-IBGZPJMESA-N 1 0 323.444 2.397 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1 ZINC001203940530 800148653 /nfs/dbraw/zinc/14/86/53/800148653.db2.gz OPFPBXOVBRZNDJ-ZWKOTPCHSA-N 1 0 306.450 2.098 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc1 ZINC001203940529 800148870 /nfs/dbraw/zinc/14/88/70/800148870.db2.gz OPFPBXOVBRZNDJ-ROUUACIJSA-N 1 0 306.450 2.098 20 10 DECDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275280 800197616 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COc1cc(N(C)C)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001231853111 801737119 /nfs/dbraw/zinc/73/71/19/801737119.db2.gz FCQJOSPXNKNRKE-KRWDZBQOSA-N 1 0 303.450 2.431 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001231853355 801737442 /nfs/dbraw/zinc/73/74/42/801737442.db2.gz JEFWDJDBFSNIEN-INIZCTEOSA-N 1 0 315.421 2.190 20 10 DECDRO OC1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198162 801814370 /nfs/dbraw/zinc/81/43/70/801814370.db2.gz JGXHLEMNHRNZHA-UHFFFAOYSA-N 1 0 310.825 2.133 20 10 DECDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195827 801814942 /nfs/dbraw/zinc/81/49/42/801814942.db2.gz YZUYIIAPJGZHPB-CQSZACIVSA-N 1 0 310.825 2.133 20 10 DECDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Cl)c(O)cc1O ZINC001232264628 801833686 /nfs/dbraw/zinc/83/36/86/801833686.db2.gz KJEZIIBMCRARHB-YACGNSKGSA-N 1 0 311.765 2.277 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)cc1Cl ZINC001232271101 801836476 /nfs/dbraw/zinc/83/64/76/801836476.db2.gz NDIOPWIWARZNSO-LBPRGKRZSA-N 1 0 312.797 2.107 20 10 DECDRO COC(=O)c1c(C[NH+]2CC([C@@H](C)OC)C2)c2ccccc2n1C ZINC001232404091 801872125 /nfs/dbraw/zinc/87/21/25/801872125.db2.gz LRJYDTLRFBDMRJ-GFCCVEGCSA-N 1 0 316.401 2.432 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001233270500 802060162 /nfs/dbraw/zinc/06/01/62/802060162.db2.gz PSTASEMSKVNPCH-BLLLJJGKSA-N 1 0 316.401 2.168 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233287067 802064172 /nfs/dbraw/zinc/06/41/72/802064172.db2.gz VJMJKFUCLSJSSR-MRXNPFEDSA-N 1 0 321.417 2.454 20 10 DECDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCC[NH2+]C3)cccc21 ZINC001217960645 802124848 /nfs/dbraw/zinc/12/48/48/802124848.db2.gz RPBLZGWMIOZRKX-LLVKDONJSA-N 1 0 323.348 2.298 20 10 DECDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485436 802126961 /nfs/dbraw/zinc/12/69/61/802126961.db2.gz VVSROBPQSRZKHY-LLVKDONJSA-N 1 0 323.389 2.357 20 10 DECDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218181418 802151474 /nfs/dbraw/zinc/15/14/74/802151474.db2.gz LORGLRJFTWXJIE-NSHDSACASA-N 1 0 323.348 2.217 20 10 DECDRO O=c1cc2[nH]cnc(O[C@@H]3C[NH2+]Cc4ccccc43)c-2cc1O ZINC001218490066 802189774 /nfs/dbraw/zinc/18/97/74/802189774.db2.gz QTWUOAIVTQYHGU-MRXNPFEDSA-N 1 0 309.325 2.264 20 10 DECDRO C[NH+](C)[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233726701 802190416 /nfs/dbraw/zinc/19/04/16/802190416.db2.gz GKDUGJXNQVBKMV-NSHDSACASA-N 1 0 304.312 2.427 20 10 DECDRO CN1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761388 802200037 /nfs/dbraw/zinc/20/00/37/802200037.db2.gz USDYEVFWURSWCK-LLVKDONJSA-N 1 0 304.312 2.427 20 10 DECDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC001219640558 802357299 /nfs/dbraw/zinc/35/72/99/802357299.db2.gz ABFIUZQUBDRZTO-NZJBMZQBSA-N 1 0 301.434 2.128 20 10 DECDRO c1ccc2c(c1)C[C@H](COc1ccc(N3CC[NH2+]CC3)cc1)O2 ZINC000321571717 802892185 /nfs/dbraw/zinc/89/21/85/802892185.db2.gz UUVURRPYGFTZFH-GOSISDBHSA-N 1 0 310.397 2.479 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001335511743 1150439280 /nfs/dbraw/zinc/43/92/80/1150439280.db2.gz ZBSFDSWEEVNXQZ-IUODEOHRSA-N 1 0 304.438 2.192 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCCO[C@H]2CCOC2)cc1F ZINC001331693076 1149608435 /nfs/dbraw/zinc/60/84/35/1149608435.db2.gz GVFACAKRCCLGIM-ZDUSSCGKSA-N 1 0 314.376 2.316 20 10 DECDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(N)cc2)CC1 ZINC001346354032 1150973577 /nfs/dbraw/zinc/97/35/77/1150973577.db2.gz PIRNEVDJTRIHKZ-UHFFFAOYSA-N 1 0 304.438 2.190 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001463721086 1059014857 /nfs/dbraw/zinc/01/48/57/1059014857.db2.gz CIIFRZGWFHVNHV-RDJZCZTQSA-N 1 0 303.450 2.489 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC001466283484 1059444610 /nfs/dbraw/zinc/44/46/10/1059444610.db2.gz BHSTWKXDVCGVEG-UHFFFAOYSA-N 1 0 318.417 2.117 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@H](O)C2(O)CCCC2)C2CC2)cc1 ZINC001473115153 1060649789 /nfs/dbraw/zinc/64/97/89/1060649789.db2.gz LXMZTOIMXCZPAK-SFHVURJKSA-N 1 0 318.461 2.383 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]Cc3cccnc3)cc2F)CC1 ZINC001473913950 1060770742 /nfs/dbraw/zinc/77/07/42/1060770742.db2.gz QYWZSRIQCXHHSK-UHFFFAOYSA-N 1 0 314.408 2.262 20 10 DECDRO COc1cc(C)c(C[NH2+][C@H](CO)Cc2ccccc2)c(O)c1 ZINC001474452043 1060872291 /nfs/dbraw/zinc/87/22/91/1060872291.db2.gz BOBOODDQBIWUAY-HNNXBMFYSA-N 1 0 301.386 2.402 20 10 DECDRO CC[C@H](CNC(=O)[C@@H](C)OC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567952289 1064558327 /nfs/dbraw/zinc/55/83/27/1064558327.db2.gz WCBUEKUELQQXSF-UKRRQHHQSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CCCO2)cc1C ZINC001568982265 1065224806 /nfs/dbraw/zinc/22/48/06/1065224806.db2.gz QZFRPIGYJGIGSA-GDBMZVCRSA-N 1 0 320.433 2.167 20 10 DECDRO COc1ccc(C[NH2+]CCCN(C)C(=O)C(F)F)cc1C ZINC001569172733 1065339525 /nfs/dbraw/zinc/33/95/25/1065339525.db2.gz ALCVTALQCJBYDO-UHFFFAOYSA-N 1 0 300.349 2.207 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)OC)cc1C ZINC001497794644 1066319200 /nfs/dbraw/zinc/31/92/00/1066319200.db2.gz OEQOFUOGDCBKDU-ZIAGYGMSSA-N 1 0 308.422 2.023 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c1O ZINC001636061480 1078467161 /nfs/dbraw/zinc/46/71/61/1078467161.db2.gz OIAHSXAJIAGXGD-CQSZACIVSA-N 1 0 306.406 2.137 20 10 DECDRO C[NH2+]Cc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001578739639 1067158252 /nfs/dbraw/zinc/15/82/52/1067158252.db2.gz CXEGATUSMPYBGY-VQHVLOKHSA-N 1 0 312.369 2.147 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H]3C)cc2)CC1 ZINC001643110030 1078785769 /nfs/dbraw/zinc/78/57/69/1078785769.db2.gz JKVJJDBWSWYFEA-KSSFIOAISA-N 1 0 304.434 2.257 20 10 DECDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001573614660 1069051525 /nfs/dbraw/zinc/05/15/25/1069051525.db2.gz OELJMKDOXOWWQM-MRXNPFEDSA-N 1 0 301.434 2.291 20 10 DECDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001543013459 1072471896 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CCOC[C@@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252038132 1142607000 /nfs/dbraw/zinc/60/70/00/1142607000.db2.gz JGFDXWJQAJREGR-INIZCTEOSA-N 1 0 322.449 2.217 20 10 DECDRO CC[NH+](CC)C[C@H](O)CNCc1cc2ccccc2cc1O ZINC001253213148 1142855181 /nfs/dbraw/zinc/85/51/81/1142855181.db2.gz LPVASSBOUQWDIX-QGZVFWFLSA-N 1 0 302.418 2.338 20 10 DECDRO Nc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001338595835 1142865687 /nfs/dbraw/zinc/86/56/87/1142865687.db2.gz OHWDXNBDWQPJKS-MRXNPFEDSA-N 1 0 302.422 2.085 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001339414452 1143027238 /nfs/dbraw/zinc/02/72/38/1143027238.db2.gz NHRZXXNCGSOGMV-QGZVFWFLSA-N 1 0 316.449 2.132 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254328671 1143082840 /nfs/dbraw/zinc/08/28/40/1143082840.db2.gz WCQCZAKMSYRURL-WBMJQRKESA-N 1 0 323.458 2.409 20 10 DECDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001255193665 1143484423 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20 10 DECDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCCC1 ZINC001306422772 1147383423 /nfs/dbraw/zinc/38/34/23/1147383423.db2.gz QMTNWQNQVZJDIA-GFCCVEGCSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CN(C)CCO1 ZINC001308319467 1147465762 /nfs/dbraw/zinc/46/57/62/1147465762.db2.gz WEMKMALZMYCCQY-MAUKXSAKSA-N 1 0 303.450 2.096 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@H]2CCOC2)cc1F ZINC001308353989 1147468233 /nfs/dbraw/zinc/46/82/33/1147468233.db2.gz KGZSOXQYOYMBPO-GOEBONIOSA-N 1 0 310.413 2.159 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001324984189 1147864675 /nfs/dbraw/zinc/86/46/75/1147864675.db2.gz ASOVZCOJIVPOOA-UHFFFAOYSA-N 1 0 322.474 2.344 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410747 185294841 /nfs/dbraw/zinc/29/48/41/185294841.db2.gz OUVWMFXSNXSBTO-UKRRQHHQSA-N 1 0 304.438 2.207 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373931417 530003379 /nfs/dbraw/zinc/00/33/79/530003379.db2.gz BOEOJERFFDGURA-CABCVRRESA-N 1 0 303.406 2.160 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000068596521 354823392 /nfs/dbraw/zinc/82/33/92/354823392.db2.gz ZAYFOBSQDSVQFV-AWEZNQCLSA-N 1 0 306.454 2.234 20 10 DECDRO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000185352981 296120748 /nfs/dbraw/zinc/12/07/48/296120748.db2.gz KXVPWRPHYKJUNN-CQSZACIVSA-N 1 0 323.456 2.456 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105294025 194093744 /nfs/dbraw/zinc/09/37/44/194093744.db2.gz MTFKLFDDBQGCDY-UHFFFAOYSA-N 1 0 305.422 2.408 20 10 DECDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272385199 130025309 /nfs/dbraw/zinc/02/53/09/130025309.db2.gz GBMGKLCTCHBQHY-FNORWQNLSA-N 1 0 318.417 2.442 20 10 DECDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272621339 130047285 /nfs/dbraw/zinc/04/72/85/130047285.db2.gz IVSHXTXNZTYMPN-IYNGYCSASA-N 1 0 318.417 2.300 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(O)c1C ZINC000273297336 130103668 /nfs/dbraw/zinc/10/36/68/130103668.db2.gz AKMONKDIDDXFKR-JTQLQIEISA-N 1 0 304.312 2.338 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc2c(cc1O)CCCC2 ZINC000273592795 130142028 /nfs/dbraw/zinc/14/20/28/130142028.db2.gz PQUNOARZOKNHJA-RHSMWYFYSA-N 1 0 317.477 2.167 20 10 DECDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(O)c1O ZINC000274894910 130271991 /nfs/dbraw/zinc/27/19/91/130271991.db2.gz NCZWPCNXQJLGOJ-ZDUSSCGKSA-N 1 0 306.406 2.482 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000280106750 130783608 /nfs/dbraw/zinc/78/36/08/130783608.db2.gz DXRBIXLNGICIMY-LBPRGKRZSA-N 1 0 318.417 2.019 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(O)c1O ZINC000286913381 131254901 /nfs/dbraw/zinc/25/49/01/131254901.db2.gz CYPJVTHEFPEVLQ-GXTWGEPZSA-N 1 0 304.390 2.105 20 10 DECDRO COc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1O ZINC000289178283 131363649 /nfs/dbraw/zinc/36/36/49/131363649.db2.gz AHAYSAVPZYEDQW-UHFFFAOYSA-N 1 0 303.314 2.125 20 10 DECDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000074314687 401735406 /nfs/dbraw/zinc/73/54/06/401735406.db2.gz PEVMQHOCPALMTO-UHFFFAOYSA-N 1 0 305.422 2.463 20 10 DECDRO CCOc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1O ZINC000074336691 401736145 /nfs/dbraw/zinc/73/61/45/401736145.db2.gz XQLOYOVTVJIWJL-OAHLLOKOSA-N 1 0 309.406 2.466 20 10 DECDRO CCC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000076074330 401781286 /nfs/dbraw/zinc/78/12/86/401781286.db2.gz TXUVHOCGXWUIAC-GASCZTMLSA-N 1 0 320.433 2.240 20 10 DECDRO COCC[NH+](CCOC)Cc1cc(Br)ccc1O ZINC000133416148 401885209 /nfs/dbraw/zinc/88/52/09/401885209.db2.gz DGRARMMGXZTWAB-UHFFFAOYSA-N 1 0 318.211 2.250 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+](C)C)cc1F ZINC000133646334 401893106 /nfs/dbraw/zinc/89/31/06/401893106.db2.gz IAWLZMQMEZXFQD-UHFFFAOYSA-N 1 0 310.417 2.033 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1O ZINC000092098272 402001750 /nfs/dbraw/zinc/00/17/50/402001750.db2.gz WCGRNSLOTPTFIB-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3c[nH]nc3C)CC2)cc1 ZINC000092380866 402004582 /nfs/dbraw/zinc/00/45/82/402004582.db2.gz IIIPGJXOIUCEHW-UHFFFAOYSA-N 1 0 300.406 2.439 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000104187469 402199946 /nfs/dbraw/zinc/19/99/46/402199946.db2.gz LTQTVPLLRWSCBW-HNNXBMFYSA-N 1 0 312.417 2.171 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000102827315 402172909 /nfs/dbraw/zinc/17/29/09/402172909.db2.gz KCGXGZYUXOJSIB-OAHLLOKOSA-N 1 0 306.381 2.404 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154643179 402223523 /nfs/dbraw/zinc/22/35/23/402223523.db2.gz JYCZFOBUSNSOLH-GOEBONIOSA-N 1 0 321.440 2.407 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1F ZINC000109022431 402266563 /nfs/dbraw/zinc/26/65/63/402266563.db2.gz WQJXTPUOFJRIBP-MRXNPFEDSA-N 1 0 307.413 2.382 20 10 DECDRO Cc1noc(C)c1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179560081 402594676 /nfs/dbraw/zinc/59/46/76/402594676.db2.gz IZRVVXMTCHLUQW-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO COCC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000172072133 402638879 /nfs/dbraw/zinc/63/88/79/402638879.db2.gz VKEPNJZXJYTHII-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000262623530 402728408 /nfs/dbraw/zinc/72/84/08/402728408.db2.gz AKAXSKIADJMABF-UHFFFAOYSA-N 1 0 301.434 2.288 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183268540 402751683 /nfs/dbraw/zinc/75/16/83/402751683.db2.gz GXMDWUHUSPSMJT-UHFFFAOYSA-N 1 0 321.417 2.420 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278332489 402862952 /nfs/dbraw/zinc/86/29/52/402862952.db2.gz ZIWQUWQCRWHRQW-CYBMUJFWSA-N 1 0 323.393 2.225 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278475112 402866293 /nfs/dbraw/zinc/86/62/93/402866293.db2.gz DPMKHRRSMPWPDA-QHHAFSJGSA-N 1 0 316.401 2.102 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)c(O)c1 ZINC000278733453 402869876 /nfs/dbraw/zinc/86/98/76/402869876.db2.gz UPQFXZZIXRMXIB-WBVHZDCISA-N 1 0 309.406 2.465 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000279742860 402961657 /nfs/dbraw/zinc/96/16/57/402961657.db2.gz XNBQGKHJDVTYPB-SUMWQHHRSA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000279915411 402965234 /nfs/dbraw/zinc/96/52/34/402965234.db2.gz MJCWKEDRRMPYTK-CQSZACIVSA-N 1 0 318.339 2.012 20 10 DECDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000281605417 403074186 /nfs/dbraw/zinc/07/41/86/403074186.db2.gz MMKFRWODTUVWKN-ONGXEEELSA-N 1 0 318.211 2.203 20 10 DECDRO CCCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c(O)c1 ZINC000277487994 403222655 /nfs/dbraw/zinc/22/26/55/403222655.db2.gz NGXIDUHDMPUIQI-UHFFFAOYSA-N 1 0 320.433 2.135 20 10 DECDRO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(N2CCCC2)cc1 ZINC000292124655 403299192 /nfs/dbraw/zinc/29/91/92/403299192.db2.gz QVRAKZLDGGUDKW-MRXNPFEDSA-N 1 0 301.434 2.435 20 10 DECDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000285271640 403280364 /nfs/dbraw/zinc/28/03/64/403280364.db2.gz UMJUNTXECLUBEJ-CQSZACIVSA-N 1 0 306.406 2.282 20 10 DECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295506229 403961875 /nfs/dbraw/zinc/96/18/75/403961875.db2.gz YUJDUOSLUBVORC-SECBINFHSA-N 1 0 300.761 2.143 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289668426 403992142 /nfs/dbraw/zinc/99/21/42/403992142.db2.gz NNAJGJHLUSBTNQ-RYUDHWBXSA-N 1 0 319.323 2.394 20 10 DECDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c(O)c1O ZINC000296784434 404319685 /nfs/dbraw/zinc/31/96/85/404319685.db2.gz BDJGTODVHUCICD-UHFFFAOYSA-N 1 0 304.390 2.153 20 10 DECDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296989628 404403704 /nfs/dbraw/zinc/40/37/04/404403704.db2.gz SHSGGGSFTUTOQS-GJZGRUSLSA-N 1 0 320.433 2.146 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](O)C3(C)C)CC2)cc1 ZINC000361125899 404932548 /nfs/dbraw/zinc/93/25/48/404932548.db2.gz UQERSOYMAZTYJV-SJORKVTESA-N 1 0 304.434 2.413 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C ZINC000367461074 405057346 /nfs/dbraw/zinc/05/73/46/405057346.db2.gz PSHLJTOMVWALFE-SJORKVTESA-N 1 0 304.434 2.040 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)c1O ZINC000527799162 406753402 /nfs/dbraw/zinc/75/34/02/406753402.db2.gz JINLXRPREIUINV-HNNXBMFYSA-N 1 0 312.369 2.444 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330404 227008328 /nfs/dbraw/zinc/00/83/28/227008328.db2.gz VWPOXEJDURMZJQ-DZGCQCFKSA-N 1 0 321.440 2.350 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000377633349 227195277 /nfs/dbraw/zinc/19/52/77/227195277.db2.gz XOSNGRDSTDAXOQ-UHFFFAOYSA-N 1 0 311.223 2.435 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1OC ZINC000378448088 227214966 /nfs/dbraw/zinc/21/49/66/227214966.db2.gz BLTJCDFFFBIMGE-GFCCVEGCSA-N 1 0 303.362 2.300 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418103935 229220788 /nfs/dbraw/zinc/22/07/88/229220788.db2.gz XAXUVXFXVCZNBF-SWLSCSKDSA-N 1 0 314.433 2.284 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659284055 425566971 /nfs/dbraw/zinc/56/69/71/425566971.db2.gz FCOJYMKWWRDYFD-UHFFFAOYSA-N 1 0 315.417 2.140 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@]12CCCO2 ZINC000272666871 276345880 /nfs/dbraw/zinc/34/58/80/276345880.db2.gz JFKTWQQNHNHXSR-BRWVUGGUSA-N 1 0 307.390 2.217 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000360076503 337084944 /nfs/dbraw/zinc/08/49/44/337084944.db2.gz QJMBVQPJCRRDRI-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(C(F)(F)F)cc1O ZINC000530220041 340783005 /nfs/dbraw/zinc/78/30/05/340783005.db2.gz BDPWGIBUEHXQOZ-AAEUAGOBSA-N 1 0 318.339 2.440 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000835025519 649868064 /nfs/dbraw/zinc/86/80/64/649868064.db2.gz KEQZZXCGGMSOPK-AATRIKPKSA-N 1 0 301.434 2.496 20 10 DECDRO Cn1ccnc1C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001330167102 1149057749 /nfs/dbraw/zinc/05/77/49/1149057749.db2.gz BONZGUUNUWSTIX-LLVKDONJSA-N 1 0 305.403 2.282 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000835027723 649868436 /nfs/dbraw/zinc/86/84/36/649868436.db2.gz GCAXEQWWCDXJFA-YWPBOTNQSA-N 1 0 304.434 2.239 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000230934743 533952758 /nfs/dbraw/zinc/95/27/58/533952758.db2.gz PNEKJTXXUKUFMD-UFBFGSQYSA-N 1 0 305.827 2.256 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3ccnc(N)c3)CC2)cc1 ZINC000193314612 534001458 /nfs/dbraw/zinc/00/14/58/534001458.db2.gz RAGDDWFDGJHGQO-UHFFFAOYSA-N 1 0 312.417 2.385 20 10 DECDRO COc1ccc(O)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000289523499 534198321 /nfs/dbraw/zinc/19/83/21/534198321.db2.gz VMRTYQBNLDIKDL-UHFFFAOYSA-N 1 0 302.374 2.180 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179939918 519890200 /nfs/dbraw/zinc/89/02/00/519890200.db2.gz SLLFLRKTRHKQSW-CYBMUJFWSA-N 1 0 306.406 2.139 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@H](C)CC)cc2=O ZINC000183056006 521582667 /nfs/dbraw/zinc/58/26/67/521582667.db2.gz LOZAOJHZCAMZSL-GHMZBOCLSA-N 1 0 320.393 2.136 20 10 DECDRO CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000180069369 521693288 /nfs/dbraw/zinc/69/32/88/521693288.db2.gz IJPNGZXUGBDRIC-OAHLLOKOSA-N 1 0 323.868 2.257 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCN2CCOCC2)C2CC2)cc1 ZINC000265950611 522174281 /nfs/dbraw/zinc/17/42/81/522174281.db2.gz UDQHJLQRHHMTOU-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000157499445 522856680 /nfs/dbraw/zinc/85/66/80/522856680.db2.gz ZTXUJQQAFCNOTH-UKRRQHHQSA-N 1 0 307.390 2.355 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NCCC[NH3+])c2C)cc1 ZINC000237304290 523313725 /nfs/dbraw/zinc/31/37/25/523313725.db2.gz 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CCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979152301 634515865 /nfs/dbraw/zinc/51/58/65/634515865.db2.gz CWTPCCXWBCSMLB-WMLDXEAASA-N 1 0 320.433 2.119 20 10 DECDRO CN(C[C@H]1COC(C)(C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893573786 634785957 /nfs/dbraw/zinc/78/59/57/634785957.db2.gz RNXSKACJICZYCG-INIZCTEOSA-N 1 0 308.422 2.215 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177560998 632936026 /nfs/dbraw/zinc/93/60/26/632936026.db2.gz BLGRJYLCAYYQAE-CALCHBBNSA-N 1 0 315.461 2.491 20 10 DECDRO CC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996688150 633349993 /nfs/dbraw/zinc/34/99/93/633349993.db2.gz KTLHTLLZUHEEHI-ZDUSSCGKSA-N 1 0 317.393 2.309 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C)[NH+](C)C)cc1 ZINC000005097875 634948393 /nfs/dbraw/zinc/94/83/93/634948393.db2.gz RAOZHYJIOZYRJW-HNNXBMFYSA-N 1 0 306.454 2.453 20 10 DECDRO C[N@H+](CCCCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000837224182 650176689 /nfs/dbraw/zinc/17/66/89/650176689.db2.gz 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ZINC000922491761 636203878 /nfs/dbraw/zinc/20/38/78/636203878.db2.gz SQGHQKMMXRLDKM-UHFFFAOYSA-N 1 0 307.419 2.209 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000922525060 636218384 /nfs/dbraw/zinc/21/83/84/636218384.db2.gz OEWQGYZBLDXDRC-HZPDHXFCSA-N 1 0 322.474 2.460 20 10 DECDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccccc1O ZINC000922677769 636322161 /nfs/dbraw/zinc/32/21/61/636322161.db2.gz UOWZBCNBQIHKQG-UHFFFAOYSA-N 1 0 305.399 2.128 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)cc1F ZINC000922781697 636394338 /nfs/dbraw/zinc/39/43/38/636394338.db2.gz RTVJWHYSMUVOKE-CQSZACIVSA-N 1 0 307.413 2.288 20 10 DECDRO COc1ccc(C[NH+]2CC(C3CCOCC3)C2)c(O)c1OC ZINC000894257652 636584268 /nfs/dbraw/zinc/58/42/68/636584268.db2.gz WFCXMIDTQUWFNP-UHFFFAOYSA-N 1 0 307.390 2.268 20 10 DECDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCCSc2nccs2)C1(F)F ZINC000894303053 636755802 /nfs/dbraw/zinc/75/58/02/636755802.db2.gz GDRWZUGWPAJTBL-RKDXNWHRSA-N 1 0 322.402 2.269 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCNC(=O)C2CCC2)c1O ZINC000894326651 636855591 /nfs/dbraw/zinc/85/55/91/636855591.db2.gz QHZDMZJEDUNBBP-UHFFFAOYSA-N 1 0 306.406 2.105 20 10 DECDRO COc1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c(O)c1OC ZINC000894397338 636998637 /nfs/dbraw/zinc/99/86/37/636998637.db2.gz USPOYUOPFHOIKE-CYBMUJFWSA-N 1 0 320.393 2.025 20 10 DECDRO COC(=O)c1cncc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000923285855 637087373 /nfs/dbraw/zinc/08/73/73/637087373.db2.gz GOPPVNPCSQOEFA-UHFFFAOYSA-N 1 0 311.385 2.280 20 10 DECDRO COc1cc(C)cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000894637012 637142994 /nfs/dbraw/zinc/14/29/94/637142994.db2.gz TZAHTELVCFHCKI-UHFFFAOYSA-N 1 0 306.406 2.200 20 10 DECDRO COC(=O)N1CCC(C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894752904 637195438 /nfs/dbraw/zinc/19/54/38/637195438.db2.gz OGGOWVODXZCXLK-UHFFFAOYSA-N 1 0 322.405 2.277 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1(F)F ZINC000894782138 637209580 /nfs/dbraw/zinc/20/95/80/637209580.db2.gz JPBDJEMSDBHUQY-DYLAAIIWSA-N 1 0 315.316 2.106 20 10 DECDRO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)[nH]1 ZINC000895011859 637374755 /nfs/dbraw/zinc/37/47/55/637374755.db2.gz MCGBJTRNKRXOEB-NSHDSACASA-N 1 0 321.375 2.447 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000895075005 637499759 /nfs/dbraw/zinc/49/97/59/637499759.db2.gz UEIJCSYHBVRFGO-ZDUSSCGKSA-N 1 0 306.406 2.198 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H]2CO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000895083722 637527472 /nfs/dbraw/zinc/52/74/72/637527472.db2.gz LVBVUFCYCCWFFF-ZYHUDNBSSA-N 1 0 320.364 2.371 20 10 DECDRO C[C@H](NC(=O)NC(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000838559484 637599286 /nfs/dbraw/zinc/59/92/86/637599286.db2.gz MYDZYCDZNLHDFZ-ZDUSSCGKSA-N 1 0 306.454 2.453 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838765274 637648263 /nfs/dbraw/zinc/64/82/63/637648263.db2.gz GPFKEKJWDPMDSG-CQSZACIVSA-N 1 0 305.422 2.266 20 10 DECDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146445 637788658 /nfs/dbraw/zinc/78/86/58/637788658.db2.gz HTPXUMMTPVEYGP-ABAIWWIYSA-N 1 0 312.360 2.068 20 10 DECDRO COC[C@@H](C)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143579 637804290 /nfs/dbraw/zinc/80/42/90/637804290.db2.gz ALYFXLGTHLMJLP-LBPRGKRZSA-N 1 0 314.376 2.174 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000895231270 637810201 /nfs/dbraw/zinc/81/02/01/637810201.db2.gz QPLBOWJQSMDKEG-HNNXBMFYSA-N 1 0 309.406 2.240 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1F ZINC000839195828 637822590 /nfs/dbraw/zinc/82/25/90/637822590.db2.gz OAOJTHQKJOYMCC-CQSZACIVSA-N 1 0 307.413 2.288 20 10 DECDRO Cc1cccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000895344787 637951063 /nfs/dbraw/zinc/95/10/63/637951063.db2.gz XGHVGJCYXMXQMO-OAHLLOKOSA-N 1 0 303.406 2.080 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000840919998 650382090 /nfs/dbraw/zinc/38/20/90/650382090.db2.gz FRVDSEBEBMFKFI-INIZCTEOSA-N 1 0 303.406 2.088 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000895414129 638011529 /nfs/dbraw/zinc/01/15/29/638011529.db2.gz KKZDDEZJFHTZKW-DOMZBBRYSA-N 1 0 319.361 2.020 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c(Cl)c1 ZINC000840940083 650390417 /nfs/dbraw/zinc/39/04/17/650390417.db2.gz UHYFYFZXBYQOME-UHFFFAOYSA-N 1 0 310.781 2.428 20 10 DECDRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(F)ccc1O ZINC000895634259 638115993 /nfs/dbraw/zinc/11/59/93/638115993.db2.gz KSSQNEXODPQQSM-GOSISDBHSA-N 1 0 317.360 2.464 20 10 DECDRO CC[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503630 638152616 /nfs/dbraw/zinc/15/26/16/638152616.db2.gz GHVPQDSOSRFVMQ-CQSZACIVSA-N 1 0 307.394 2.446 20 10 DECDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840978591 650398896 /nfs/dbraw/zinc/39/88/96/650398896.db2.gz ONUFSIWPYKASNB-GDBMZVCRSA-N 1 0 322.424 2.255 20 10 DECDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C2)ccc1N1CCCCC1 ZINC000841045196 650413374 /nfs/dbraw/zinc/41/33/74/650413374.db2.gz ONPUGJGJVOTKAR-AWEZNQCLSA-N 1 0 304.394 2.037 20 10 DECDRO [NH3+][C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000841050629 650414919 /nfs/dbraw/zinc/41/49/19/650414919.db2.gz JMKYJHRPGCFXMU-HNNXBMFYSA-N 1 0 318.421 2.412 20 10 DECDRO Cc1cccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1O ZINC000896255657 638433544 /nfs/dbraw/zinc/43/35/44/638433544.db2.gz MBZHUGAHWUWRJJ-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO COC[C@@]1(CNC/C=C\c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841067911 650420815 /nfs/dbraw/zinc/42/08/15/650420815.db2.gz QMCBIMPSDNJPEN-SUZKBHRPSA-N 1 0 303.450 2.124 20 10 DECDRO CC(C)OCC[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000747514826 638446179 /nfs/dbraw/zinc/44/61/79/638446179.db2.gz JDVWSUSWSQWSNN-UHFFFAOYSA-N 1 0 312.435 2.073 20 10 DECDRO CN1C[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1=O ZINC000896308411 638460315 /nfs/dbraw/zinc/46/03/15/638460315.db2.gz JECBNEQJIGUGNW-SECBINFHSA-N 1 0 300.761 2.143 20 10 DECDRO C[C@@H]1CN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841301673 650471375 /nfs/dbraw/zinc/47/13/75/650471375.db2.gz CRDRRSRQWLSREN-BETUJISGSA-N 1 0 320.437 2.278 20 10 DECDRO CCO[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000897066906 639155348 /nfs/dbraw/zinc/15/53/48/639155348.db2.gz BKURYYLLMDMTHF-SFHVURJKSA-N 1 0 304.434 2.259 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000752798317 639221693 /nfs/dbraw/zinc/22/16/93/639221693.db2.gz YNYMOEIHLFOUGE-CQSZACIVSA-N 1 0 323.400 2.444 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754726770 639465153 /nfs/dbraw/zinc/46/51/53/639465153.db2.gz NJQCTWRAPFUUQB-NSHDSACASA-N 1 0 306.406 2.006 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000755791208 639589756 /nfs/dbraw/zinc/58/97/56/639589756.db2.gz PJFLIZWBIKIXMD-CYBMUJFWSA-N 1 0 301.390 2.432 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CCc1cnc(C3CC3)nc1)OCO2 ZINC000756049434 639619291 /nfs/dbraw/zinc/61/92/91/639619291.db2.gz ZFPMLSOBFCWUDG-UHFFFAOYSA-N 1 0 313.357 2.121 20 10 DECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756355057 639653272 /nfs/dbraw/zinc/65/32/72/639653272.db2.gz GUIMGQIZORFVBB-DTWKUNHWSA-N 1 0 315.211 2.330 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000756398159 639658315 /nfs/dbraw/zinc/65/83/15/639658315.db2.gz CEFWYWPWWBGTBF-MJBXVCDLSA-N 1 0 308.422 2.161 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCCC2=O)c1 ZINC000756553077 639672646 /nfs/dbraw/zinc/67/26/46/639672646.db2.gz FAWCLSWNMOQBEF-ZDUSSCGKSA-N 1 0 306.406 2.454 20 10 DECDRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(F)ccc1O ZINC000756777991 639694042 /nfs/dbraw/zinc/69/40/42/639694042.db2.gz ANGRFUXMGBDEML-NSHDSACASA-N 1 0 315.410 2.397 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1C ZINC000756786021 639694848 /nfs/dbraw/zinc/69/48/48/639694848.db2.gz HYBBEVRSRCCQRY-LZWOXQAQSA-N 1 0 320.433 2.295 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC)[C@H]2C)cc1C ZINC000985946915 639705449 /nfs/dbraw/zinc/70/54/49/639705449.db2.gz YPOVQTOCESFQPD-DZGCQCFKSA-N 1 0 322.474 2.446 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cn1 ZINC000757913747 639894519 /nfs/dbraw/zinc/89/45/19/639894519.db2.gz RNWKTOROCGNCNU-UHFFFAOYSA-N 1 0 318.373 2.445 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](CO)CC(F)F)ccc1OC ZINC000758614729 639980048 /nfs/dbraw/zinc/98/00/48/639980048.db2.gz JTBQGTCDFRHZTA-ZDUSSCGKSA-N 1 0 303.349 2.337 20 10 DECDRO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709904 650547099 /nfs/dbraw/zinc/54/70/99/650547099.db2.gz OZLCUVVQTKXXEG-QGZVFWFLSA-N 1 0 316.449 2.310 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000841757824 650557875 /nfs/dbraw/zinc/55/78/75/650557875.db2.gz AZEUNOOSUCMIOX-CJNGLKHVSA-N 1 0 316.449 2.009 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CSC)C2)cc1C ZINC000987967107 640323867 /nfs/dbraw/zinc/32/38/67/640323867.db2.gz CNWIPDODZLZNMA-HIFRSBDPSA-N 1 0 322.474 2.446 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@H]1[NH3+] ZINC000841825250 650571555 /nfs/dbraw/zinc/57/15/55/650571555.db2.gz ZXQRABOCFNFRIA-RHSMWYFYSA-N 1 0 318.465 2.330 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000761973508 640368233 /nfs/dbraw/zinc/36/82/33/640368233.db2.gz QWOXMEWJYGQOMX-XQQFMLRXSA-N 1 0 306.406 2.451 20 10 DECDRO CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]CC1 ZINC000841833071 650574875 /nfs/dbraw/zinc/57/48/75/650574875.db2.gz ZDBIRCSYSINLAD-UHFFFAOYSA-N 1 0 314.433 2.004 20 10 DECDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831059 650574916 /nfs/dbraw/zinc/57/49/16/650574916.db2.gz AGWOSDSWVUUMFH-OAHLLOKOSA-N 1 0 316.449 2.380 20 10 DECDRO CC1(CO)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000762790214 640459761 /nfs/dbraw/zinc/45/97/61/640459761.db2.gz APFLVOZFJWTGCC-UHFFFAOYSA-N 1 0 322.424 2.257 20 10 DECDRO CN(C(=O)NCCCSc1nccs1)C1CC[NH2+]CC1 ZINC000841858136 650582526 /nfs/dbraw/zinc/58/25/26/650582526.db2.gz TYHUUXNZJHZAET-UHFFFAOYSA-N 1 0 314.480 2.019 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c(O)c1 ZINC000763467886 640545485 /nfs/dbraw/zinc/54/54/85/640545485.db2.gz VAHWYWCHUJCSNB-INIZCTEOSA-N 1 0 309.406 2.058 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000763496631 640548061 /nfs/dbraw/zinc/54/80/61/640548061.db2.gz UJIWXLOPMRYDQU-OALUTQOASA-N 1 0 317.477 2.486 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763558532 640552558 /nfs/dbraw/zinc/55/25/58/640552558.db2.gz KPLMFOLUTFHGLY-WBMJQRKESA-N 1 0 309.406 2.229 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841881667 650591280 /nfs/dbraw/zinc/59/12/80/650591280.db2.gz BKXYFDBNSVNLNX-MGPQQGTHSA-N 1 0 304.438 2.205 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000841882072 650592125 /nfs/dbraw/zinc/59/21/25/650592125.db2.gz VXFCOKKAWJHWIR-RDTXWAMCSA-N 1 0 316.449 2.209 20 10 DECDRO C[C@@H](NC(=O)N(C)C1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841883687 650593634 /nfs/dbraw/zinc/59/36/34/650593634.db2.gz VVJKVRVVKARLPZ-CYBMUJFWSA-N 1 0 304.438 2.207 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000841890353 650594281 /nfs/dbraw/zinc/59/42/81/650594281.db2.gz OERBRERUXWJBLW-UHFFFAOYSA-N 1 0 309.406 2.058 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841890837 650594349 /nfs/dbraw/zinc/59/43/49/650594349.db2.gz KRIYITSSHHZVDH-INIZCTEOSA-N 1 0 318.465 2.231 20 10 DECDRO Cc1nccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000765251198 640757006 /nfs/dbraw/zinc/75/70/06/640757006.db2.gz MUZPMCDBQTVGGX-CQSZACIVSA-N 1 0 312.417 2.472 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841936247 650606390 /nfs/dbraw/zinc/60/63/90/650606390.db2.gz GMJJLAFINQTNHQ-INIZCTEOSA-N 1 0 318.465 2.425 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000841946495 650608839 /nfs/dbraw/zinc/60/88/39/650608839.db2.gz ATSOVEIPOLFHMS-WBVHZDCISA-N 1 0 318.465 2.412 20 10 DECDRO COc1cccc(C[NH2+]CC(=O)N2CCc3ccccc32)c1O ZINC000729684745 640826002 /nfs/dbraw/zinc/82/60/02/640826002.db2.gz GJBZARZFIUIJAQ-UHFFFAOYSA-N 1 0 312.369 2.080 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841952650 650610408 /nfs/dbraw/zinc/61/04/08/650610408.db2.gz VQHMPBVYXLHSHD-UHFFFAOYSA-N 1 0 306.454 2.412 20 10 DECDRO [NH3+][C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000841966352 650615263 /nfs/dbraw/zinc/61/52/63/650615263.db2.gz UOJQGJIMCVHWOB-NSHDSACASA-N 1 0 318.204 2.236 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000841982108 650618852 /nfs/dbraw/zinc/61/88/52/650618852.db2.gz OTSPFASGJFDBSL-GJZGRUSLSA-N 1 0 304.438 2.164 20 10 DECDRO CCc1cccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1O ZINC000898052059 640999992 /nfs/dbraw/zinc/99/99/92/640999992.db2.gz GKZUDPZWCYSTBL-SFHVURJKSA-N 1 0 315.417 2.484 20 10 DECDRO COc1cc(O)c(C[NH2+]CCN2CCC(C)(C)C2)cc1OC ZINC000898035082 641006778 /nfs/dbraw/zinc/00/67/78/641006778.db2.gz JTGITIHVYAWHDP-UHFFFAOYSA-N 1 0 308.422 2.231 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000898116347 641025731 /nfs/dbraw/zinc/02/57/31/641025731.db2.gz PANDZGKGQFYTOM-OAHLLOKOSA-N 1 0 307.390 2.219 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000768191562 641058459 /nfs/dbraw/zinc/05/84/59/641058459.db2.gz JDLKRXPPKCLETE-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769217910 641197078 /nfs/dbraw/zinc/19/70/78/641197078.db2.gz UOZOQDCMBVFRPC-CYBMUJFWSA-N 1 0 306.406 2.139 20 10 DECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769217911 641197093 /nfs/dbraw/zinc/19/70/93/641197093.db2.gz UOZOQDCMBVFRPC-ZDUSSCGKSA-N 1 0 306.406 2.139 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](CCCCO)CC2)cc1 ZINC000769394013 641231761 /nfs/dbraw/zinc/23/17/61/641231761.db2.gz HKBXBGMQQIVFBI-UHFFFAOYSA-N 1 0 319.493 2.423 20 10 DECDRO COCCCOC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769467422 641245065 /nfs/dbraw/zinc/24/50/65/641245065.db2.gz UCDUDPQKNDVEOB-UHFFFAOYSA-N 1 0 309.406 2.418 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(CC(=O)NC)CC2)c(O)c1 ZINC000769468988 641246444 /nfs/dbraw/zinc/24/64/44/641246444.db2.gz RYCOMHRLGLPNLU-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(OCCCO)CC2)c(O)c1 ZINC000769504217 641251753 /nfs/dbraw/zinc/25/17/53/641251753.db2.gz QEVQWGNEJZUBCQ-UHFFFAOYSA-N 1 0 309.406 2.154 20 10 DECDRO CCC[C@H]1CN(Cc2c(O)cccc2OC)CC[N@@H+]1CCOC ZINC000770284460 641353221 /nfs/dbraw/zinc/35/32/21/641353221.db2.gz RAHSNNIUKOKTRM-HNNXBMFYSA-N 1 0 322.449 2.334 20 10 DECDRO COc1cc(O)c(CNc2ccc(OCC[NH3+])cc2)cc1OC ZINC000841054125 641495654 /nfs/dbraw/zinc/49/56/54/641495654.db2.gz GSGNBAYNWNHTQI-UHFFFAOYSA-N 1 0 318.373 2.359 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000771633713 641532962 /nfs/dbraw/zinc/53/29/62/641532962.db2.gz PKLVSGYXAGRBRQ-AWEZNQCLSA-N 1 0 324.446 2.171 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccnnc1 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20 10 DECDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467641 642268827 /nfs/dbraw/zinc/26/88/27/642268827.db2.gz MFSQCWKOQMOZND-APWZRJJASA-N 1 0 317.477 2.295 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000842475850 650748381 /nfs/dbraw/zinc/74/83/81/650748381.db2.gz ZMBSSWDGCBAFQD-KRWDZBQOSA-N 1 0 306.381 2.309 20 10 DECDRO COCCN(CC[C@@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000842473476 650748390 /nfs/dbraw/zinc/74/83/90/650748390.db2.gz VJRCKYMDEGHZSO-AWEZNQCLSA-N 1 0 308.422 2.156 20 10 DECDRO O=C(C1CC1)N1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000780473838 642629606 /nfs/dbraw/zinc/62/96/06/642629606.db2.gz RZFQDYCBLTUEDW-UHFFFAOYSA-N 1 0 314.429 2.325 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000781911802 642798037 /nfs/dbraw/zinc/79/80/37/642798037.db2.gz RUUHQNFQLZTFEJ-TXEJJXNPSA-N 1 0 311.223 2.114 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625034 650786134 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Cc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(=O)n1C ZINC000785520089 643244784 /nfs/dbraw/zinc/24/47/84/643244784.db2.gz BLLAZZXAUFJZOE-UHFFFAOYSA-N 1 0 303.381 2.189 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903324891 643315621 /nfs/dbraw/zinc/31/56/21/643315621.db2.gz SGVNNGLXSMTWKM-DZGCQCFKSA-N 1 0 307.413 2.017 20 10 DECDRO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449017 643355910 /nfs/dbraw/zinc/35/59/10/643355910.db2.gz VIHRFSODJBRROZ-OLMNPRSZSA-N 1 0 305.466 2.370 20 10 DECDRO C[C@H](CCCCO)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449362 643355978 /nfs/dbraw/zinc/35/59/78/643355978.db2.gz YAGRRMZZBNKBFN-QAPCUYQASA-N 1 0 307.482 2.496 20 10 DECDRO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000805822745 643435405 /nfs/dbraw/zinc/43/54/05/643435405.db2.gz RKGHXJZABZTXGS-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000842912722 650851699 /nfs/dbraw/zinc/85/16/99/650851699.db2.gz VCYCCIQDDMGJKR-RLCGTCKNSA-N 1 0 316.195 2.219 20 10 DECDRO c1cc2c(cc1CN[C@H]1C[NH2+]CC3(CCOCC3)C1)CCCO2 ZINC000904388262 643657724 /nfs/dbraw/zinc/65/77/24/643657724.db2.gz GURMHVBIPQJXJA-QGZVFWFLSA-N 1 0 316.445 2.260 20 10 DECDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)CC1 ZINC000905101525 643789369 /nfs/dbraw/zinc/78/93/69/643789369.db2.gz KPPAFMSBLBGGRB-SFHVURJKSA-N 1 0 318.461 2.288 20 10 DECDRO C[NH+](C)Cc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789952748 643794267 /nfs/dbraw/zinc/79/42/67/643794267.db2.gz HLURTDOPIOGVLF-UHFFFAOYSA-N 1 0 318.348 2.229 20 10 DECDRO Oc1cc2c(cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)OCO2 ZINC000843048075 650877097 /nfs/dbraw/zinc/87/70/97/650877097.db2.gz MHCQHANBQHHKEQ-ZIAGYGMSSA-N 1 0 304.390 2.227 20 10 DECDRO C[C@]1(F)C[NH2+]CCN(Cc2cc(Br)ccc2O)C1 ZINC000843124703 650901252 /nfs/dbraw/zinc/90/12/52/650901252.db2.gz FPNKMIULJDFPNA-ZDUSSCGKSA-N 1 0 317.202 2.288 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000794693637 644461063 /nfs/dbraw/zinc/46/10/63/644461063.db2.gz GTWIMZRSQPMWPJ-SFHVURJKSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000794715318 644465886 /nfs/dbraw/zinc/46/58/86/644465886.db2.gz QNFPMLNTWINJGI-SFHVURJKSA-N 1 0 320.433 2.396 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000794929569 644494021 /nfs/dbraw/zinc/49/40/21/644494021.db2.gz MDVNYIIWWRHGLI-XHDPSFHLSA-N 1 0 308.809 2.384 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000794929568 644494634 /nfs/dbraw/zinc/49/46/34/644494634.db2.gz MDVNYIIWWRHGLI-NHYWBVRUSA-N 1 0 308.809 2.384 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCc2ccccc21 ZINC000843350731 650955033 /nfs/dbraw/zinc/95/50/33/650955033.db2.gz XSNJQZUWOZJDEP-UHFFFAOYSA-N 1 0 321.424 2.487 20 10 DECDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000103614994 645092069 /nfs/dbraw/zinc/09/20/69/645092069.db2.gz CYCREGHJNUTMFP-ZDUSSCGKSA-N 1 0 323.437 2.491 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000843489269 650983564 /nfs/dbraw/zinc/98/35/64/650983564.db2.gz LHRMFRDTDSMYRC-XIKOKIGWSA-N 1 0 314.385 2.452 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000839919100 645299963 /nfs/dbraw/zinc/29/99/63/645299963.db2.gz PLPQADBRQVCCRB-PBHICJAKSA-N 1 0 303.450 2.202 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000808717549 645324269 /nfs/dbraw/zinc/32/42/69/645324269.db2.gz DFRAXBYIJJQZPP-QMMMGPOBSA-N 1 0 306.740 2.386 20 10 DECDRO C[N@H+](CCC(=O)NCc1ccc(O)cc1O)C1CCCCC1 ZINC000910947935 645599192 /nfs/dbraw/zinc/59/91/92/645599192.db2.gz SLQQPBGBVTYLIM-UHFFFAOYSA-N 1 0 306.406 2.369 20 10 DECDRO C[C@@]12C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114656 645986505 /nfs/dbraw/zinc/98/65/05/645986505.db2.gz HSACNEDFKUXTGA-BOFVXQRXSA-N 1 0 313.397 2.462 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000808430905 646083579 /nfs/dbraw/zinc/08/35/79/646083579.db2.gz LITPVYJPICXHMP-OAHLLOKOSA-N 1 0 302.374 2.052 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1O ZINC000808716355 646131343 /nfs/dbraw/zinc/13/13/43/646131343.db2.gz VWCJKVDBHWAYRW-JTQLQIEISA-N 1 0 317.838 2.439 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840172861 646223216 /nfs/dbraw/zinc/22/32/16/646223216.db2.gz GYOSQQYLEQNYTO-UHFFFAOYSA-N 1 0 301.390 2.391 20 10 DECDRO NC(=O)C1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809638794 646255347 /nfs/dbraw/zinc/25/53/47/646255347.db2.gz DKZULRIBVPCTFP-UHFFFAOYSA-N 1 0 321.424 2.357 20 10 DECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000809692419 646264599 /nfs/dbraw/zinc/26/45/99/646264599.db2.gz WPCJOJASGORGES-UHFFFAOYSA-N 1 0 311.378 2.088 20 10 DECDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809737571 646271682 /nfs/dbraw/zinc/27/16/82/646271682.db2.gz IATDZYSOUXPHOQ-UHFFFAOYSA-N 1 0 321.440 2.190 20 10 DECDRO CC(C)[N@@H+](Cc1c(O)ccc2ccncc21)C[C@H]1CCC(=O)N1 ZINC000840189021 646305266 /nfs/dbraw/zinc/30/52/66/646305266.db2.gz OFVVHUINIQHWSM-CQSZACIVSA-N 1 0 313.401 2.429 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000810411265 646360434 /nfs/dbraw/zinc/36/04/34/646360434.db2.gz KNKKGBMGDAHAAP-GJZGRUSLSA-N 1 0 303.450 2.408 20 10 DECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1[C@@H]1CCCO1 ZINC000811779293 646576403 /nfs/dbraw/zinc/57/64/03/646576403.db2.gz OPYGWAYTEMLITH-ZOBUZTSGSA-N 1 0 319.401 2.207 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc[nH]c(=O)c1 ZINC000815148453 646979755 /nfs/dbraw/zinc/97/97/55/646979755.db2.gz WHZKRYMMSOGXBY-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO C[C@H](CNC(=O)NCc1c(O)cccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000914074371 647145772 /nfs/dbraw/zinc/14/57/72/647145772.db2.gz DCGFYNFJEZBEAD-QWHCGFSZSA-N 1 0 323.412 2.451 20 10 DECDRO OC[C@@]1([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)CCCO1 ZINC000816667263 647166449 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/nfs/dbraw/zinc/34/66/66/684346666.db2.gz BECSOJFSYMANIT-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc(O)c2O)([NH+](C)C)C1 ZINC000192989234 684462212 /nfs/dbraw/zinc/46/22/12/684462212.db2.gz LXAVDTMTWKSGDY-PXAZEXFGSA-N 1 0 306.406 2.338 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000248484144 685160617 /nfs/dbraw/zinc/16/06/17/685160617.db2.gz DFEIRZJLGCEXNF-GDBMZVCRSA-N 1 0 322.449 2.408 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000304489625 685255150 /nfs/dbraw/zinc/25/51/50/685255150.db2.gz CTMCXRULFQEGAS-MRXNPFEDSA-N 1 0 320.364 2.079 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000859353722 685712469 /nfs/dbraw/zinc/71/24/69/685712469.db2.gz JJMQROUGVSNJSP-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC000861556658 686145069 /nfs/dbraw/zinc/14/50/69/686145069.db2.gz DQEDDLZUQPNYAA-HOCLYGCPSA-N 1 0 316.449 2.227 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000862526187 686314585 /nfs/dbraw/zinc/31/45/85/686314585.db2.gz PAVSWOIEQTYZJE-CABCVRRESA-N 1 0 309.431 2.106 20 10 DECDRO CCC[N@H+](CC(=O)Nc1cccnn1)Cc1ccccc1O ZINC000929752762 694020770 /nfs/dbraw/zinc/02/07/70/694020770.db2.gz GLUPHPNKBVZMGP-UHFFFAOYSA-N 1 0 300.362 2.033 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000863298166 686471377 /nfs/dbraw/zinc/47/13/77/686471377.db2.gz SQRFGSMVGWBLDT-SFHVURJKSA-N 1 0 319.401 2.035 20 10 DECDRO CCOC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000863310690 686475116 /nfs/dbraw/zinc/47/51/16/686475116.db2.gz NTPZGNFPEGDGKC-CQSZACIVSA-N 1 0 302.374 2.178 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545373 686518851 /nfs/dbraw/zinc/51/88/51/686518851.db2.gz PVKRVZYFUVRQLV-ZBFHGGJFSA-N 1 0 321.440 2.455 20 10 DECDRO C[NH2+]C1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1 ZINC000863923115 686594939 /nfs/dbraw/zinc/59/49/39/686594939.db2.gz KNNTWIMLUDSFIC-UHFFFAOYSA-N 1 0 312.417 2.361 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383845 687997968 /nfs/dbraw/zinc/99/79/68/687997968.db2.gz YREPPPJOYQKOOU-XQQFMLRXSA-N 1 0 303.406 2.378 20 10 DECDRO C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868698935 688108547 /nfs/dbraw/zinc/10/85/47/688108547.db2.gz ZRFBQIQUVNKFFK-KBPBESRZSA-N 1 0 305.422 2.484 20 10 DECDRO CCC1([NH+](C)C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000870573748 688599058 /nfs/dbraw/zinc/59/90/58/688599058.db2.gz PUMRATYCWDMYIV-SOFGYWHQSA-N 1 0 318.417 2.444 20 10 DECDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000870865801 688671628 /nfs/dbraw/zinc/67/16/28/688671628.db2.gz KHMYGJSSIHMXEF-WKILWMFISA-N 1 0 301.434 2.421 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870882011 688677452 /nfs/dbraw/zinc/67/74/52/688677452.db2.gz RKXNBZMEZRGFQY-ZBFVHZJFSA-N 1 0 304.390 2.110 20 10 DECDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000870893928 688680036 /nfs/dbraw/zinc/68/00/36/688680036.db2.gz ASRLZLLDJGWWIH-VEVIJQCQSA-N 1 0 300.402 2.015 20 10 DECDRO O=C(C1C[NH+](C2CCCCC2)C1)N1Cc2cccc(O)c2C1 ZINC000871205839 688749291 /nfs/dbraw/zinc/74/92/91/688749291.db2.gz LFZAYSRVHYMJHW-UHFFFAOYSA-N 1 0 300.402 2.499 20 10 DECDRO COc1c([O-])c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000872254246 688965223 /nfs/dbraw/zinc/96/52/23/688965223.db2.gz XOABALVISGHYMW-GFCCVEGCSA-N 1 0 323.393 2.177 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC3(COC3)O2)cc1 ZINC000930848756 694254632 /nfs/dbraw/zinc/25/46/32/694254632.db2.gz HVNRVJFJGDAURJ-QGZVFWFLSA-N 1 0 320.433 2.011 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)n1C ZINC000873009736 689140143 /nfs/dbraw/zinc/14/01/43/689140143.db2.gz TTZLGHSLXPGEFM-UHFFFAOYSA-N 1 0 301.390 2.168 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1Cn1cccn1 ZINC000873023689 689143744 /nfs/dbraw/zinc/14/37/44/689143744.db2.gz SCRUEJCSGRIVRW-KRWDZBQOSA-N 1 0 314.433 2.124 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873112992 689159677 /nfs/dbraw/zinc/15/96/77/689159677.db2.gz MGNZUBXDSOOTCR-DOTOQJQBSA-N 1 0 315.417 2.191 20 10 DECDRO O=C(NCCC[NH+]1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000875018209 689558537 /nfs/dbraw/zinc/55/85/37/689558537.db2.gz DEBDPSOSEHAHLE-UHFFFAOYSA-N 1 0 303.406 2.293 20 10 DECDRO COc1cc(C(=O)N[C@H]2CCCC[N@@H+](C(C)C)C2)cc(OC)n1 ZINC001034288305 689796611 /nfs/dbraw/zinc/79/66/11/689796611.db2.gz IMPVZSVMPGLLAJ-AWEZNQCLSA-N 1 0 321.421 2.092 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCOC4(CCC4)C3)cc2)CC1 ZINC000876763044 689929209 /nfs/dbraw/zinc/92/92/09/689929209.db2.gz CVRDSRWJYBYVAP-UHFFFAOYSA-N 1 0 316.445 2.403 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC000876763865 689929594 /nfs/dbraw/zinc/92/95/94/689929594.db2.gz MFLLYRWTGZJXAR-SJORKVTESA-N 1 0 305.418 2.453 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cc2)CC1 ZINC000876763289 689929658 /nfs/dbraw/zinc/92/96/58/689929658.db2.gz FFQYWCUYQMBTIX-IBGZPJMESA-N 1 0 316.445 2.259 20 10 DECDRO Cc1ccc(CN2CCNC(=O)[C@@H]2c2cccs2)c(O)c1 ZINC000876765363 689930255 /nfs/dbraw/zinc/93/02/55/689930255.db2.gz UIBWQRPDZSFVKH-HNNXBMFYSA-N 1 0 302.399 2.435 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)c1 ZINC000876879089 689962292 /nfs/dbraw/zinc/96/22/92/689962292.db2.gz NQIQORDHCBPBPU-AAMHTLBISA-N 1 0 304.390 2.134 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])CCC(C)C)C2)cc1 ZINC000876959778 689983740 /nfs/dbraw/zinc/98/37/40/689983740.db2.gz OZBLLFJNRQCBGI-WMLDXEAASA-N 1 0 319.449 2.154 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C1CC1 ZINC000877023995 690000713 /nfs/dbraw/zinc/00/07/13/690000713.db2.gz MYWSWFZCMLQUEB-OAHLLOKOSA-N 1 0 317.477 2.220 20 10 DECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877027803 690001330 /nfs/dbraw/zinc/00/13/30/690001330.db2.gz SQYNLKGVXLUVPI-GOSISDBHSA-N 1 0 306.450 2.288 20 10 DECDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877055453 690008872 /nfs/dbraw/zinc/00/88/72/690008872.db2.gz SPBXTHAADUENJO-KRWDZBQOSA-N 1 0 306.450 2.288 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2O)[nH]1 ZINC000877493138 690130328 /nfs/dbraw/zinc/13/03/28/690130328.db2.gz GSBKOUVRVIPHBE-UHFFFAOYSA-N 1 0 304.346 2.195 20 10 DECDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)on1 ZINC000877533783 690144250 /nfs/dbraw/zinc/14/42/50/690144250.db2.gz SKMHCTKRKVTDJJ-SECBINFHSA-N 1 0 306.318 2.026 20 10 DECDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877572477 690156153 /nfs/dbraw/zinc/15/61/53/690156153.db2.gz HJDLXXSMHYKQQK-KRWDZBQOSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1ccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(O)c1 ZINC000877584897 690158745 /nfs/dbraw/zinc/15/87/45/690158745.db2.gz KOMUIQPYAFKQIV-MRXNPFEDSA-N 1 0 321.417 2.206 20 10 DECDRO Cc1cccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1O ZINC000877676168 690187366 /nfs/dbraw/zinc/18/73/66/690187366.db2.gz YBFJSMXDCHSLLJ-NSHDSACASA-N 1 0 300.284 2.185 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCOC1 ZINC000877698322 690195315 /nfs/dbraw/zinc/19/53/15/690195315.db2.gz JDGYSZSNCWCROI-GOSISDBHSA-N 1 0 319.401 2.071 20 10 DECDRO COc1cc(O)c(C[NH2+]CC[C@@H](O)C2CCCC2)cc1OC ZINC000877777693 690224465 /nfs/dbraw/zinc/22/44/65/690224465.db2.gz FGRRNIVSMWENBN-CQSZACIVSA-N 1 0 309.406 2.440 20 10 DECDRO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923058 690261490 /nfs/dbraw/zinc/26/14/90/690261490.db2.gz INORXGDYVCKAQH-WBVHZDCISA-N 1 0 304.434 2.380 20 10 DECDRO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879650731 690699062 /nfs/dbraw/zinc/69/90/62/690699062.db2.gz PQUCZLGDNXZEDL-YVEFUNNKSA-N 1 0 324.421 2.319 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncc(Cl)cn3)cc2)CC1 ZINC000882880214 691377340 /nfs/dbraw/zinc/37/73/40/691377340.db2.gz HWFNBBZDLLQBJX-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000883262147 691468054 /nfs/dbraw/zinc/46/80/54/691468054.db2.gz YGCHVUTWZOWEOA-RZDIXWSQSA-N 1 0 304.434 2.162 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1O ZINC000883375542 691493041 /nfs/dbraw/zinc/49/30/41/691493041.db2.gz RKIGCURUTCLYDL-LSJOCFKGSA-N 1 0 303.811 2.272 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccccn3)cc2)CC1 ZINC000886325916 692056743 /nfs/dbraw/zinc/05/67/43/692056743.db2.gz VKPLXKNHYGGYAP-UHFFFAOYSA-N 1 0 324.428 2.073 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)C)cc2)CC1 ZINC000887336713 692337189 /nfs/dbraw/zinc/33/71/89/692337189.db2.gz CLIUAKHMFGKKTJ-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO CC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001048480066 692626691 /nfs/dbraw/zinc/62/66/91/692626691.db2.gz QYGOQHVFFSEWAT-AAEUAGOBSA-N 1 0 317.393 2.167 20 10 DECDRO CC[N@H+](CCCO)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894055936 692974450 /nfs/dbraw/zinc/97/44/50/692974450.db2.gz WXRIZJZMIXJERL-UHFFFAOYSA-N 1 0 322.380 2.308 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CCc2ccccc2)c1 ZINC000896525160 693004603 /nfs/dbraw/zinc/00/46/03/693004603.db2.gz YNTQAJLNWLUUMA-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cnnn3C)C2)cc1 ZINC000926612719 693479155 /nfs/dbraw/zinc/47/91/55/693479155.db2.gz RPRUXORKNVIIKA-KBPBESRZSA-N 1 0 315.421 2.001 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001333308790 1150030251 /nfs/dbraw/zinc/03/02/51/1150030251.db2.gz ZGWODQVDTYTAMB-WMZOPIPTSA-N 1 0 304.434 2.428 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)c(O)c1OC ZINC001333680347 1150078369 /nfs/dbraw/zinc/07/83/69/1150078369.db2.gz QFSUPNITKVXDKG-AWEZNQCLSA-N 1 0 321.348 2.372 20 10 DECDRO CNC(=O)c1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC001333704952 1150081601 /nfs/dbraw/zinc/08/16/01/1150081601.db2.gz IYWJMGBBMAVHCY-UHFFFAOYSA-N 1 0 314.385 2.359 20 10 DECDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC001343096511 1150679408 /nfs/dbraw/zinc/67/94/08/1150679408.db2.gz BRGGRAZXOXLPPZ-NSHDSACASA-N 1 0 311.813 2.187 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]34C[C@H]3CCC4)cc2)CC1 ZINC001355393144 1152007906 /nfs/dbraw/zinc/00/79/06/1152007906.db2.gz JFIROQIWPUCTMO-VQIMIIECSA-N 1 0 313.445 2.245 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001358168380 1152368641 /nfs/dbraw/zinc/36/86/41/1152368641.db2.gz QZWBUWFVBPXBIV-GOSISDBHSA-N 1 0 314.360 2.079 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC001347710139 1151092451 /nfs/dbraw/zinc/09/24/51/1151092451.db2.gz SZBJIDRMUDXDEC-KRWDZBQOSA-N 1 0 305.418 2.358 20 10 DECDRO C[NH+](C)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000588406516 777082545 /nfs/dbraw/zinc/08/25/45/777082545.db2.gz OFNDNWLTHAPGNM-NTMALXAHSA-N 1 0 318.417 2.444 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCCCO2)cc1C ZINC001125533239 777155774 /nfs/dbraw/zinc/15/57/74/777155774.db2.gz YVWOYAXSVBKMLW-MRXNPFEDSA-N 1 0 320.433 2.169 20 10 DECDRO CC[C@@H](C)OCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125831184 777919404 /nfs/dbraw/zinc/91/94/04/777919404.db2.gz KQSFXCICCDNEAX-CQSZACIVSA-N 1 0 308.422 2.025 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000729050461 778923841 /nfs/dbraw/zinc/92/38/41/778923841.db2.gz JSGMWITTZGFCAC-NEPJUHHUSA-N 1 0 309.410 2.101 20 10 DECDRO CCOC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001169661628 785292640 /nfs/dbraw/zinc/29/26/40/785292640.db2.gz KKWXDQIQMZRFOL-CYBMUJFWSA-N 1 0 308.378 2.198 20 10 DECDRO CC1(C)CC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC(C)(C)N1O ZINC001169980794 785728248 /nfs/dbraw/zinc/72/82/48/785728248.db2.gz KZIKVTSMRDPOGR-UHFFFAOYSA-N 1 0 322.405 2.281 20 10 DECDRO COc1cc(CN2CC(OC(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139259118 788115845 /nfs/dbraw/zinc/11/58/45/788115845.db2.gz IRFDTNFPQDTGQL-UHFFFAOYSA-N 1 0 308.422 2.072 20 10 DECDRO CCC[C@@H](OCC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001132625948 788149566 /nfs/dbraw/zinc/14/95/66/788149566.db2.gz GZYROXOGFZTRTP-QGZVFWFLSA-N 1 0 322.449 2.415 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(F)c3C2)cc1O ZINC001170947083 789691540 /nfs/dbraw/zinc/69/15/40/789691540.db2.gz SEWKLUORKKSPOH-UGSOOPFHSA-N 1 0 317.360 2.417 20 10 DECDRO CC1(CC[NH2+]Cc2ccc(Br)cc2O)OCCO1 ZINC000716053502 792554958 /nfs/dbraw/zinc/55/49/58/792554958.db2.gz JONJLFASOSQQBQ-UHFFFAOYSA-N 1 0 316.195 2.397 20 10 DECDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177081212 794578152 /nfs/dbraw/zinc/57/81/52/794578152.db2.gz DOWJYFHOBGNCER-UHFFFAOYSA-N 1 0 322.472 2.007 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1 ZINC001116589267 794971820 /nfs/dbraw/zinc/97/18/20/794971820.db2.gz SGQSXUNFYWVCLR-NSHDSACASA-N 1 0 303.362 2.364 20 10 DECDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC001116689535 794979489 /nfs/dbraw/zinc/97/94/89/794979489.db2.gz XPSLHMFJNUIBDB-GFCCVEGCSA-N 1 0 307.346 2.039 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)c(OC)c1 ZINC001206352229 795020152 /nfs/dbraw/zinc/02/01/52/795020152.db2.gz 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DECDRO CCCCOC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409990 796372217 /nfs/dbraw/zinc/37/22/17/796372217.db2.gz ZJEBXSPLGDHBKA-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO Cc1cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)ccc1N(C)C ZINC001139672466 796407785 /nfs/dbraw/zinc/40/77/85/796407785.db2.gz XZWAKIPBTCMFOP-INIZCTEOSA-N 1 0 303.450 2.361 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CC12CC2 ZINC001139673468 796408117 /nfs/dbraw/zinc/40/81/17/796408117.db2.gz CUYGNFGIVJMUAB-OAHLLOKOSA-N 1 0 302.418 2.446 20 10 DECDRO Oc1cccc2c1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001139853664 796437849 /nfs/dbraw/zinc/43/78/49/796437849.db2.gz YEYVZNGHCWHQEM-UHFFFAOYSA-N 1 0 307.357 2.131 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055494 796471304 /nfs/dbraw/zinc/47/13/04/796471304.db2.gz HNVLYJMYQTZOHN-GFCCVEGCSA-N 1 0 305.353 2.006 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1O ZINC001140181884 796487819 /nfs/dbraw/zinc/48/78/19/796487819.db2.gz 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CN1CCOc2cc(CN3CCC([NH+]4CCC4)CC3)ccc21 ZINC001141146613 796639778 /nfs/dbraw/zinc/63/97/78/796639778.db2.gz ZVNPUETZAWIBDO-UHFFFAOYSA-N 1 0 301.434 2.185 20 10 DECDRO O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141156861 796642117 /nfs/dbraw/zinc/64/21/17/796642117.db2.gz VQULVIHUKARSHN-CABCVRRESA-N 1 0 310.353 2.266 20 10 DECDRO [NH3+]CCN(C(=O)c1ccc(O)c(O)c1Cl)c1ccc(F)cc1 ZINC001193247227 797529852 /nfs/dbraw/zinc/52/98/52/797529852.db2.gz PWWYCJQGVNKFQP-UHFFFAOYSA-N 1 0 324.739 2.496 20 10 DECDRO CCO[C@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155081166 797676931 /nfs/dbraw/zinc/67/69/31/797676931.db2.gz DILKIJVOESHHPB-WBVHZDCISA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H](C)OC)cc1C ZINC001156908759 798105971 /nfs/dbraw/zinc/10/59/71/798105971.db2.gz OYFDYVKAXSIJIA-OAHLLOKOSA-N 1 0 322.449 2.415 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](O)C(C)C)cc1Cn1cccn1 ZINC001200581468 798653041 /nfs/dbraw/zinc/65/30/41/798653041.db2.gz 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COc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c1 ZINC001203684261 800106419 /nfs/dbraw/zinc/10/64/19/800106419.db2.gz QHCKXTZTWJJBIT-HOTGVXAUSA-N 1 0 308.397 2.409 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cc1O ZINC001203878600 800138761 /nfs/dbraw/zinc/13/87/61/800138761.db2.gz HSKJNHNQRFVXAK-CRAIPNDOSA-N 1 0 319.401 2.258 20 10 DECDRO CCOCc1ncn2c1C[N@H+](Cc1ccc(O)cc1O)CCC2 ZINC001204274106 800197947 /nfs/dbraw/zinc/19/79/47/800197947.db2.gz ISCGIMSFZSBVPR-UHFFFAOYSA-N 1 0 317.389 2.237 20 10 DECDRO O=C1[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]2CN1c1ccccc1 ZINC001204274183 800197998 /nfs/dbraw/zinc/19/79/98/800197998.db2.gz LDUYMHCZLJJIFX-YOEHRIQHSA-N 1 0 324.380 2.193 20 10 DECDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204277827 800199480 /nfs/dbraw/zinc/19/94/80/800199480.db2.gz BSDNXYNIDQPBLK-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO CC1(C(N)=O)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327269 800205041 /nfs/dbraw/zinc/20/50/41/800205041.db2.gz OETSEXRLVTUYDB-UHFFFAOYSA-N 1 0 301.434 2.374 20 10 DECDRO c1cc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)ncn1 ZINC001204329085 800205341 /nfs/dbraw/zinc/20/53/41/800205341.db2.gz WOALNPUFYPEMDV-UHFFFAOYSA-N 1 0 323.444 2.399 20 10 DECDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)cc1Br ZINC001205196841 800313694 /nfs/dbraw/zinc/31/36/94/800313694.db2.gz CADQGCSMTLGLRB-LDYMZIIASA-N 1 0 315.211 2.085 20 10 DECDRO CN1CCCc2cc(CN3CCC(F)(F)[C@H](C[NH3+])C3)ccc21 ZINC001205767845 800417069 /nfs/dbraw/zinc/41/70/69/800417069.db2.gz BGNZMCVBDRSIET-OAHLLOKOSA-N 1 0 309.404 2.485 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC001205943391 800448487 /nfs/dbraw/zinc/44/84/87/800448487.db2.gz QJGXDTKKBICGFQ-WMZOPIPTSA-N 1 0 304.434 2.421 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206243781 800496459 /nfs/dbraw/zinc/49/64/59/800496459.db2.gz GDFMMTDSTCCPKQ-CYBMUJFWSA-N 1 0 304.312 2.256 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc[nH]c1=O ZINC001207006149 800653596 /nfs/dbraw/zinc/65/35/96/800653596.db2.gz CRGWSWMWHDQZHO-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001210028198 801323533 /nfs/dbraw/zinc/32/35/33/801323533.db2.gz JYNKGFOHDXEDSM-MRXNPFEDSA-N 1 0 313.445 2.326 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@@H](O)C2)cc1Cl ZINC001210476100 801408319 /nfs/dbraw/zinc/40/83/19/801408319.db2.gz RMZAYOUKEZVHHG-GFCCVEGCSA-N 1 0 312.841 2.109 20 10 DECDRO COC[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001210530110 801418117 /nfs/dbraw/zinc/41/81/17/801418117.db2.gz FKBBFOFMABTPAC-INIZCTEOSA-N 1 0 313.445 2.326 20 10 DECDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@@H](F)C2)c1O ZINC001210609098 801431026 /nfs/dbraw/zinc/43/10/26/801431026.db2.gz CSXBLLKDUOQFIB-GFCCVEGCSA-N 1 0 317.202 2.206 20 10 DECDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2ncncn2)CC1 ZINC001231589401 801690985 /nfs/dbraw/zinc/69/09/85/801690985.db2.gz HSDIZQXIUMFKRN-UHFFFAOYSA-N 1 0 321.384 2.053 20 10 DECDRO Cc1cccc(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)c1O ZINC001231593904 801691636 /nfs/dbraw/zinc/69/16/36/801691636.db2.gz WNCUOVPSDICKDX-UHFFFAOYSA-N 1 0 324.384 2.492 20 10 DECDRO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c1O ZINC001231595113 801692175 /nfs/dbraw/zinc/69/21/75/801692175.db2.gz NYDKRCXODSRAEJ-HNNXBMFYSA-N 1 0 305.422 2.373 20 10 DECDRO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c1O ZINC001231592253 801692396 /nfs/dbraw/zinc/69/23/96/801692396.db2.gz GCSTZJZQUVAPBN-OAHLLOKOSA-N 1 0 302.418 2.391 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c(O)cc1O ZINC001231633994 801699805 /nfs/dbraw/zinc/69/98/05/801699805.db2.gz FPNGMAZJKZONRM-LLVKDONJSA-N 1 0 319.361 2.177 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001231857689 801738284 /nfs/dbraw/zinc/73/82/84/801738284.db2.gz NACNSSGGBGMXQO-KRWDZBQOSA-N 1 0 303.450 2.430 20 10 DECDRO CC(C)(C)[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H](O)CO ZINC001231879990 801744196 /nfs/dbraw/zinc/74/41/96/801744196.db2.gz ZLUNUXVUHZLLHP-OAHLLOKOSA-N 1 0 303.402 2.499 20 10 DECDRO CCOC(=O)CN(CC)Cc1cc(Cl)c(OC)cc1O ZINC001232267911 801832803 /nfs/dbraw/zinc/83/28/03/801832803.db2.gz JSWXWYJDGIFADL-UHFFFAOYSA-N 1 0 301.770 2.439 20 10 DECDRO COC(=O)c1c(C[NH+]2CC([C@H](C)OC)C2)c2ccccc2n1C ZINC001232404092 801873138 /nfs/dbraw/zinc/87/31/38/801873138.db2.gz LRJYDTLRFBDMRJ-LBPRGKRZSA-N 1 0 316.401 2.432 20 10 DECDRO COc1cc(O)c(CN(C)CC[NH+](C)C)cc1Br ZINC001233134689 802033857 /nfs/dbraw/zinc/03/38/57/802033857.db2.gz BKVKVLJOGBPSOY-UHFFFAOYSA-N 1 0 317.227 2.157 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H]2CO)c2ccccc2n1C ZINC001233270571 802059454 /nfs/dbraw/zinc/05/94/54/802059454.db2.gz RUIFFYOJEBLFGS-ZDUSSCGKSA-N 1 0 316.401 2.312 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCO1 ZINC001233284581 802064463 /nfs/dbraw/zinc/06/44/63/802064463.db2.gz ZTWUESVYAPELCB-INIZCTEOSA-N 1 0 306.450 2.452 20 10 DECDRO O=C1OC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3O)CCN12 ZINC001233454874 802120620 /nfs/dbraw/zinc/12/06/20/802120620.db2.gz NEBFIECHTGFXPN-LLVKDONJSA-N 1 0 316.279 2.047 20 10 DECDRO O=C1CN(Cc2ccc(C(F)(F)F)cc2O)C[C@H]2CCCN12 ZINC001233455031 802120656 /nfs/dbraw/zinc/12/06/56/802120656.db2.gz SSZFHPOBWSOICI-GFCCVEGCSA-N 1 0 314.307 2.218 20 10 DECDRO CC(=O)N(C)C1CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454068 802121253 /nfs/dbraw/zinc/12/12/53/802121253.db2.gz FTWKGUVFWRANFE-UHFFFAOYSA-N 1 0 302.296 2.074 20 10 DECDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455790 802121941 /nfs/dbraw/zinc/12/19/41/802121941.db2.gz YSEWIELOLFMLQE-LBPRGKRZSA-N 1 0 302.296 2.121 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1O ZINC001233482935 802126099 /nfs/dbraw/zinc/12/60/99/802126099.db2.gz HZKQKJSYTOFAOE-CYBMUJFWSA-N 1 0 321.295 2.083 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1O ZINC001233484956 802127701 /nfs/dbraw/zinc/12/77/01/802127701.db2.gz DBXKHDOIKQBYNV-AWEZNQCLSA-N 1 0 301.342 2.457 20 10 DECDRO CCC[N@H+](Cc1cc(O)c(O)cc1O)C1CCN(C(C)=O)CC1 ZINC001233486741 802127732 /nfs/dbraw/zinc/12/77/32/802127732.db2.gz ZTUWQFQDZVWUOA-UHFFFAOYSA-N 1 0 322.405 2.026 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001218036030 802135348 /nfs/dbraw/zinc/13/53/48/802135348.db2.gz SEOWQPKQQOUFKU-BDJLRTHQSA-N 1 0 307.349 2.449 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000315143781 802452998 /nfs/dbraw/zinc/45/29/98/802452998.db2.gz BYKIAIXMEVQZFW-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000315683072 802479957 /nfs/dbraw/zinc/47/99/57/802479957.db2.gz MDRYRBQOWABNCS-INIZCTEOSA-N 1 0 322.474 2.344 20 10 DECDRO Cc1nc2c(ccn2C)c(-c2cnn(CC[NH+]3CCCC3)c2)n1 ZINC001222461026 802690203 /nfs/dbraw/zinc/69/02/03/802690203.db2.gz OPGLBTYNILZHTR-UHFFFAOYSA-N 1 0 310.405 2.236 20 10 DECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331082908 1149377313 /nfs/dbraw/zinc/37/73/13/1149377313.db2.gz HZVZLQSJSUJTTI-GOEBONIOSA-N 1 0 323.456 2.217 20 10 DECDRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001331251006 1149402836 /nfs/dbraw/zinc/40/28/36/1149402836.db2.gz ALEDMBXJZJLLMC-SJLPKXTDSA-N 1 0 304.434 2.306 20 10 DECDRO CC1CC[NH+](CCCNC(=O)NCc2ccc(N)cc2)CC1 ZINC001335369995 1150401463 /nfs/dbraw/zinc/40/14/63/1150401463.db2.gz ZAZUITYPQLIDFA-UHFFFAOYSA-N 1 0 304.438 2.190 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)c3ccccc3n1C)CC2 ZINC001473975546 1060784984 /nfs/dbraw/zinc/78/49/84/1060784984.db2.gz CDCYWKAKKVUGPB-AWEZNQCLSA-N 1 0 309.417 2.491 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001474325264 1060852209 /nfs/dbraw/zinc/85/22/09/1060852209.db2.gz WMUVYWVPYAFVIV-CYBMUJFWSA-N 1 0 310.825 2.200 20 10 DECDRO CN(CC[NH2+]C/C=C\Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493810129 1063971044 /nfs/dbraw/zinc/97/10/44/1063971044.db2.gz NRILSRUWWICUJH-POHYYUKSSA-N 1 0 323.784 2.263 20 10 DECDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000020185832 1078167387 /nfs/dbraw/zinc/16/73/87/1078167387.db2.gz DFCZCGGMNIQNFJ-UHFFFAOYSA-N 1 0 324.428 2.202 20 10 DECDRO CCc1cccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1O ZINC001621125127 1078169925 /nfs/dbraw/zinc/16/99/25/1078169925.db2.gz LZMJRMXUHUIAFQ-ZDUSSCGKSA-N 1 0 321.339 2.062 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1C1CC1 ZINC001631593729 1078368285 /nfs/dbraw/zinc/36/82/85/1078368285.db2.gz RBQSJPVMEMZSTH-ZWNOBZJWSA-N 1 0 315.377 2.204 20 10 DECDRO COc1c(O)c(CNC[C@H]2CCC(C)(C)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001579136771 1067239430 /nfs/dbraw/zinc/23/94/30/1067239430.db2.gz RYAZBNYIKZKMCY-GFCCVEGCSA-N 1 0 323.393 2.177 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001521438096 1069240785 /nfs/dbraw/zinc/24/07/85/1069240785.db2.gz AOMRLRRWIPLPPH-IKGGRYGDSA-N 1 0 301.434 2.005 20 10 DECDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc2cccnc2c1O ZINC001557122849 1075056605 /nfs/dbraw/zinc/05/66/05/1075056605.db2.gz KFDVTGRKURNFPN-GFCCVEGCSA-N 1 0 301.390 2.144 20 10 DECDRO O=C(NCc1ccccc1O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001580721276 1075982259 /nfs/dbraw/zinc/98/22/59/1075982259.db2.gz CDUAEVPTHYXGGT-UHFFFAOYSA-N 1 0 313.357 2.196 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccn1)c1ccc(N(C)C)cc1 ZINC001589966362 1076539445 /nfs/dbraw/zinc/53/94/45/1076539445.db2.gz TULRPBIAFBJNGP-GFCCVEGCSA-N 1 0 323.404 2.179 20 10 DECDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1CC1CC1 ZINC001651477443 1079813927 /nfs/dbraw/zinc/81/39/27/1079813927.db2.gz WFMXQVFKJNROQH-KRWDZBQOSA-N 1 0 313.445 2.387 20 10 DECDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC001652321178 1079868715 /nfs/dbraw/zinc/86/87/15/1079868715.db2.gz KZOSQNUFMOBVFC-MWLCHTKSSA-N 1 0 300.196 2.357 20 10 DECDRO COCCN1[C@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001652728145 1079895259 /nfs/dbraw/zinc/89/52/59/1079895259.db2.gz BGVFNIZLQAXFPP-GASCZTMLSA-N 1 0 322.449 2.250 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC)C2)cc1 ZINC001655581908 1080006449 /nfs/dbraw/zinc/00/64/49/1080006449.db2.gz XAZTXNMVFHIKIB-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC001657886057 1080188107 /nfs/dbraw/zinc/18/81/07/1080188107.db2.gz KBABYENOSFQDSN-GUYCJALGSA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC001659017955 1080225532 /nfs/dbraw/zinc/22/55/32/1080225532.db2.gz BIVOLLDVEMDTHN-KDOFPFPSSA-N 1 0 321.417 2.479 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001659210760 1080235121 /nfs/dbraw/zinc/23/51/21/1080235121.db2.gz PRPSHFSXDUIULY-INIZCTEOSA-N 1 0 324.384 2.441 20 10 DECDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1c1ccccc1 ZINC001659447280 1080240794 /nfs/dbraw/zinc/24/07/94/1080240794.db2.gz UJOIGXFGMSYDTJ-AWEZNQCLSA-N 1 0 300.333 2.426 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1Br ZINC001237678149 1080472824 /nfs/dbraw/zinc/47/28/24/1080472824.db2.gz VGYYQHDYHCVORT-KOLCDFICSA-N 1 0 300.196 2.418 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC001662084083 1080566265 /nfs/dbraw/zinc/56/62/65/1080566265.db2.gz WHLUFNVPJNYMEF-FUHWJXTLSA-N 1 0 304.434 2.164 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2oc(C)nc2C)cc1C ZINC001125232308 1080602163 /nfs/dbraw/zinc/60/21/63/1080602163.db2.gz KKDRTWKNMPDLAK-UHFFFAOYSA-N 1 0 317.389 2.128 20 10 DECDRO COCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662739379 1080644367 /nfs/dbraw/zinc/64/43/67/1080644367.db2.gz NMKSAYSQFQAISO-HZPDHXFCSA-N 1 0 320.433 2.167 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ocnc2C)cc1C ZINC001663870108 1080829927 /nfs/dbraw/zinc/82/99/27/1080829927.db2.gz XQNWVRFVEGVTEE-UHFFFAOYSA-N 1 0 317.389 2.162 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cnc(Br)cn2)c1 ZINC001665458414 1081032320 /nfs/dbraw/zinc/03/23/20/1081032320.db2.gz VFHIYFXSMBEOTI-UHFFFAOYSA-N 1 0 324.178 2.243 20 10 DECDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(OC)cc1 ZINC001276926515 1083684113 /nfs/dbraw/zinc/68/41/13/1083684113.db2.gz FEOBKDFVTOTSGD-ZXFUBFMLSA-N 1 0 320.433 2.405 20 10 DECDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001276380250 1083746298 /nfs/dbraw/zinc/74/62/98/1083746298.db2.gz LRZBDXZXSDQMEF-HIFRSBDPSA-N 1 0 323.868 2.113 20 10 DECDRO COc1ccc(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)c(O)c1 ZINC001277453654 1083979675 /nfs/dbraw/zinc/97/96/75/1083979675.db2.gz DTOBCDANLTXTSQ-UHFFFAOYSA-N 1 0 318.417 2.328 20 10 DECDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001277552079 1084032238 /nfs/dbraw/zinc/03/22/38/1084032238.db2.gz UJPSQTHOJBDPDO-CXAGYDPISA-N 1 0 321.852 2.316 20 10 DECDRO Cc1cc(Br)c(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235049597 1084287988 /nfs/dbraw/zinc/28/79/88/1084287988.db2.gz ZNUFBNFICCSLSD-QWHCGFSZSA-N 1 0 311.223 2.399 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049492 1084288511 /nfs/dbraw/zinc/28/85/11/1084288511.db2.gz VAKMNSZWUAKQPL-QWHCGFSZSA-N 1 0 316.323 2.270 20 10 DECDRO COc1cc(CN2CCCC[C@@]23CC[NH2+]C3)c(O)c(OC)c1 ZINC001235130948 1084322596 /nfs/dbraw/zinc/32/25/96/1084322596.db2.gz YVQDWKKDZRHDRK-KRWDZBQOSA-N 1 0 306.406 2.127 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(OC)c1 ZINC001235160495 1084332380 /nfs/dbraw/zinc/33/23/80/1084332380.db2.gz LTIPDXLOWZNNKJ-MAUKXSAKSA-N 1 0 303.450 2.465 20 10 DECDRO Cc1cc(Br)cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235172510 1084334167 /nfs/dbraw/zinc/33/41/67/1084334167.db2.gz PYETZUBCLDVKEZ-SMDDNHRTSA-N 1 0 311.223 2.386 20 10 DECDRO CN1CCO[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@H]21 ZINC001235681800 1084495773 /nfs/dbraw/zinc/49/57/73/1084495773.db2.gz KYQJKPJMVBYMCL-WBVHZDCISA-N 1 0 304.434 2.205 20 10 DECDRO COCCCN(Cc1cc(F)cc(C)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235808523 1084535412 /nfs/dbraw/zinc/53/54/12/1084535412.db2.gz DPECTVLSNNYZAH-MRXNPFEDSA-N 1 0 310.413 2.430 20 10 DECDRO [NH3+][C@]12CC[C@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001235996308 1084585279 /nfs/dbraw/zinc/58/52/79/1084585279.db2.gz WPMXVAMNLDVIFJ-ZANVPECISA-N 1 0 302.296 2.214 20 10 DECDRO CCCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[NH2+]1 ZINC001236142036 1084620316 /nfs/dbraw/zinc/62/03/16/1084620316.db2.gz OCQANLCHMVZRKT-CQSZACIVSA-N 1 0 308.422 2.373 20 10 DECDRO COC[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001129135295 1086602124 /nfs/dbraw/zinc/60/21/24/1086602124.db2.gz ABFAAKHHMJKMCU-CABCVRRESA-N 1 0 322.449 2.128 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c(O)c1 ZINC001274765010 1091403281 /nfs/dbraw/zinc/40/32/81/1091403281.db2.gz GQBTYWXQKKJLFW-HNNXBMFYSA-N 1 0 318.417 2.139 20 10 DECDRO CCOC(=O)c1ncc(C[NH2+]Cc2cc(OC)ccc2O)s1 ZINC001351996555 1151648809 /nfs/dbraw/zinc/64/88/09/1151648809.db2.gz BKMZJZGJWJEBKY-UHFFFAOYSA-N 1 0 322.386 2.324 20 10 DECDRO Cc1cc(O)c(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1Cl ZINC001236164256 1138335700 /nfs/dbraw/zinc/33/57/00/1138335700.db2.gz FAHCOEPAERVFDB-HNNXBMFYSA-N 1 0 310.825 2.043 20 10 DECDRO C[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H](C)[NH2+]1 ZINC001236422683 1138360152 /nfs/dbraw/zinc/36/01/52/1138360152.db2.gz ISQGCVCZRMMIEQ-KBPBESRZSA-N 1 0 315.461 2.273 20 10 DECDRO C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@@H](C)[NH2+]1 ZINC001236581879 1138378216 /nfs/dbraw/zinc/37/82/16/1138378216.db2.gz XUQNEJNEZPZHGD-NXEZZACHSA-N 1 0 304.312 2.473 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1OC ZINC001236750641 1138407600 /nfs/dbraw/zinc/40/76/00/1138407600.db2.gz VJGQTXFVMAGRTO-QGZVFWFLSA-N 1 0 309.406 2.394 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)cc1OC ZINC001236751307 1138408301 /nfs/dbraw/zinc/40/83/01/1138408301.db2.gz AJQUAYGWFOFNHT-UHFFFAOYSA-N 1 0 324.396 2.028 20 10 DECDRO CCc1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(O)c1 ZINC001236786610 1138427202 /nfs/dbraw/zinc/42/72/02/1138427202.db2.gz FMAJCQKUTNNOLO-HDICACEKSA-N 1 0 316.445 2.250 20 10 DECDRO C[C@@]1(CO)CN(Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1O ZINC001236794801 1138430427 /nfs/dbraw/zinc/43/04/27/1138430427.db2.gz UZOAJDULDARYIQ-KBPBESRZSA-N 1 0 320.216 2.264 20 10 DECDRO COc1cc(C)c(C[N@H+](C)C2CCN(C(C)=O)CC2)c(O)c1 ZINC001236810058 1138434718 /nfs/dbraw/zinc/43/47/18/1138434718.db2.gz BGVKMDJPUJKXBO-UHFFFAOYSA-N 1 0 306.406 2.152 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)[C@H]1C ZINC001236810389 1138434981 /nfs/dbraw/zinc/43/49/81/1138434981.db2.gz FMKLKEJTRHAPAT-GXTWGEPZSA-N 1 0 307.390 2.483 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001236816336 1138439150 /nfs/dbraw/zinc/43/91/50/1138439150.db2.gz SUPHVZAEUFHSTE-CQSZACIVSA-N 1 0 318.417 2.200 20 10 DECDRO CCOC(=O)[C@H]1CN(Cc2cc3ccccc3cc2O)CCO1 ZINC001236830474 1138440698 /nfs/dbraw/zinc/44/06/98/1138440698.db2.gz ATAWUSZSHRUAQZ-QGZVFWFLSA-N 1 0 315.369 2.309 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236834775 1138441565 /nfs/dbraw/zinc/44/15/65/1138441565.db2.gz CYDAFFJWHMTZOL-UHFFFAOYSA-N 1 0 313.401 2.439 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001236925853 1138459044 /nfs/dbraw/zinc/45/90/44/1138459044.db2.gz YRZPQVSXCRNPPG-GASCZTMLSA-N 1 0 322.836 2.255 20 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O=C1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]2CCCN12 ZINC001237624271 1138720786 /nfs/dbraw/zinc/72/07/86/1138720786.db2.gz ROSXBBMHICSQIQ-GFCCVEGCSA-N 1 0 312.772 2.381 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)[C@@H]1C ZINC001237678422 1138753751 /nfs/dbraw/zinc/75/37/51/1138753751.db2.gz OCCMVWZEHOSEDQ-BXUZGUMPSA-N 1 0 323.389 2.183 20 10 DECDRO Cc1cc(F)cc(CN2CC[NH+](CCC(C)(C)O)CC2)c1O ZINC001238067261 1138819771 /nfs/dbraw/zinc/81/97/71/1138819771.db2.gz MOTLERPHQMNRRL-UHFFFAOYSA-N 1 0 310.413 2.118 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@H]3C(=O)NCC(F)F)C2)c1O ZINC001278354118 1140043748 /nfs/dbraw/zinc/04/37/48/1140043748.db2.gz FRZDPDKQAPFTQR-ZDUSSCGKSA-N 1 0 324.371 2.212 20 10 DECDRO CCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319048704 1140495364 /nfs/dbraw/zinc/49/53/64/1140495364.db2.gz FLMMOOZMRUOGHP-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)OC)cc1C ZINC001320362678 1140855277 /nfs/dbraw/zinc/85/52/77/1140855277.db2.gz QAJZLNBPRJYDJT-KBPBESRZSA-N 1 0 308.422 2.023 20 10 DECDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC001321100240 1141053392 /nfs/dbraw/zinc/05/33/92/1141053392.db2.gz KNEASSFMRYEFFF-HNNXBMFYSA-N 1 0 306.406 2.282 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC2(F)F)cc1C ZINC001321512435 1141294543 /nfs/dbraw/zinc/29/45/43/1141294543.db2.gz XRTXEQUNJJEEPM-YPMHNXCESA-N 1 0 312.360 2.253 20 10 DECDRO CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322093362 1141392292 /nfs/dbraw/zinc/39/22/92/1141392292.db2.gz GJUCLMQRFUBARN-CMPLNLGQSA-N 1 0 323.372 2.305 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001249177905 1141856993 /nfs/dbraw/zinc/85/69/93/1141856993.db2.gz LFVYBRPPHHRULB-UGSOOPFHSA-N 1 0 321.417 2.091 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244827 1141864172 /nfs/dbraw/zinc/86/41/72/1141864172.db2.gz NVEYJGUXZXPXEB-UHFFFAOYSA-N 1 0 304.390 2.274 20 10 DECDRO C[C@H](O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001251964425 1142567603 /nfs/dbraw/zinc/56/76/03/1142567603.db2.gz JTORXNUYLIYBHE-NSHDSACASA-N 1 0 304.312 2.088 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001253713154 1142896125 /nfs/dbraw/zinc/89/61/25/1142896125.db2.gz YSIJUDCECSDXJX-SWLSCSKDSA-N 1 0 308.422 2.106 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CC[NH3+])cc2)c1 ZINC001340197928 1143297977 /nfs/dbraw/zinc/29/79/77/1143297977.db2.gz BUTZZVSSHFYORF-LBPRGKRZSA-N 1 0 314.385 2.393 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1coc([C@@H]2CCC[NH2+]2)n1 ZINC001341360827 1143589656 /nfs/dbraw/zinc/58/96/56/1143589656.db2.gz KNPXUWNPWUTOFA-LBPRGKRZSA-N 1 0 301.346 2.077 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001256382620 1143845894 /nfs/dbraw/zinc/84/58/94/1143845894.db2.gz WFUAVWSNXOZVAP-GOSISDBHSA-N 1 0 304.434 2.164 20 10 DECDRO COC(=O)C[C@@H]1COCCN1Cc1ccc(N2CCCC2)cc1 ZINC001261184420 1144225093 /nfs/dbraw/zinc/22/50/93/1144225093.db2.gz OGBUAOYWVIGJAN-QGZVFWFLSA-N 1 0 318.417 2.051 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCO1 ZINC001261788793 1144276544 /nfs/dbraw/zinc/27/65/44/1144276544.db2.gz JDEAFZBKCDBWDY-HOCLYGCPSA-N 1 0 314.376 2.314 20 10 DECDRO CC1CC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC001262077787 1144289064 /nfs/dbraw/zinc/28/90/64/1144289064.db2.gz OWMNECBFPBUFJJ-UHFFFAOYSA-N 1 0 301.434 2.276 20 10 DECDRO Nc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC001262488222 1144315756 /nfs/dbraw/zinc/31/57/56/1144315756.db2.gz UYWOINFAKHRSRS-UHFFFAOYSA-N 1 0 303.450 2.394 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC001262560230 1144319207 /nfs/dbraw/zinc/31/92/07/1144319207.db2.gz KOWXCZQXMRCJIE-OAHLLOKOSA-N 1 0 304.438 2.084 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCO2)cc1C ZINC001491979057 1147029275 /nfs/dbraw/zinc/02/92/75/1147029275.db2.gz GFJVYKZXJVZHFG-WMLDXEAASA-N 1 0 320.433 2.167 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC001308303921 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DECDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183249 185286195 /nfs/dbraw/zinc/28/61/95/185286195.db2.gz GRMHJRAKSCJPJM-CYBMUJFWSA-N 1 0 310.463 2.228 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CC3)CC2)cc1 ZINC000378325604 529780683 /nfs/dbraw/zinc/78/06/83/529780683.db2.gz GSRORUTVPSEXRQ-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO CCC[C@H](C)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052690025 354411178 /nfs/dbraw/zinc/41/11/78/354411178.db2.gz ASCYCISFKRHBJG-NSHDSACASA-N 1 0 320.393 2.232 20 10 DECDRO Cn1cc(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000077284169 355195901 /nfs/dbraw/zinc/19/59/01/355195901.db2.gz XICZZFDSHAGUDM-QGZVFWFLSA-N 1 0 315.417 2.349 20 10 DECDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090849011 355568200 /nfs/dbraw/zinc/56/82/00/355568200.db2.gz SSLYTDYUIZDPAV-CRAIPNDOSA-N 1 0 304.434 2.479 20 10 DECDRO COC[C@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294930617 533116763 /nfs/dbraw/zinc/11/67/63/533116763.db2.gz BGNFWYFBTZXCMH-MRXNPFEDSA-N 1 0 320.458 2.481 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273368912 130112965 /nfs/dbraw/zinc/11/29/65/130112965.db2.gz FRPONOUZZOFSQY-RYUDHWBXSA-N 1 0 305.378 2.435 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000280255434 130792857 /nfs/dbraw/zinc/79/28/57/130792857.db2.gz JFQKQCCODURKDG-MSOLQXFVSA-N 1 0 318.461 2.412 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280709904 130814051 /nfs/dbraw/zinc/81/40/51/130814051.db2.gz DGNBIKVQMJAYNQ-VQIMIIECSA-N 1 0 313.445 2.293 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284971626 131127280 /nfs/dbraw/zinc/12/72/80/131127280.db2.gz BGLOMUCCJWTZLW-DOTOQJQBSA-N 1 0 304.434 2.304 20 10 DECDRO C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000287986724 131309277 /nfs/dbraw/zinc/30/92/77/131309277.db2.gz KEFBAGUEFQAHDS-AWEZNQCLSA-N 1 0 318.465 2.377 20 10 DECDRO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(O)c1O ZINC000288579217 131331759 /nfs/dbraw/zinc/33/17/59/131331759.db2.gz XHLUEBLAFHHHNV-CHWSQXEVSA-N 1 0 304.390 2.105 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000292551748 131657911 /nfs/dbraw/zinc/65/79/11/131657911.db2.gz SPJYMYFSZYQDJJ-RDJZCZTQSA-N 1 0 324.428 2.313 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCc1ccco1 ZINC000111399657 401714813 /nfs/dbraw/zinc/71/48/13/401714813.db2.gz WGVDAUSKIQJEHC-LBPRGKRZSA-N 1 0 300.358 2.009 20 10 DECDRO CC(C)OC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000075611478 401764443 /nfs/dbraw/zinc/76/44/43/401764443.db2.gz XGSYVDCSNDFZLA-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000121083233 402013666 /nfs/dbraw/zinc/01/36/66/402013666.db2.gz BVVDTQWNLAHWTJ-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(CC(=O)NC)CC2)c1O ZINC000093588034 402016404 /nfs/dbraw/zinc/01/64/04/402016404.db2.gz XHIWVNZRYYEYEX-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000154085202 402191454 /nfs/dbraw/zinc/19/14/54/402191454.db2.gz FLHMJFFIDQNJLV-GFCCVEGCSA-N 1 0 320.414 2.151 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000184709780 402293833 /nfs/dbraw/zinc/29/38/33/402293833.db2.gz CZVSCDHLMBFCMC-CYBMUJFWSA-N 1 0 303.811 2.012 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000186375217 402426213 /nfs/dbraw/zinc/42/62/13/402426213.db2.gz GRXJYBILAKSDIV-KBPBESRZSA-N 1 0 307.390 2.273 20 10 DECDRO [NH3+][C@@H]1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]2CC[C@H]1C2 ZINC000178710498 402529049 /nfs/dbraw/zinc/52/90/49/402529049.db2.gz OTUNTBVOPMYMQP-ATLSCFEFSA-N 1 0 313.445 2.276 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2cc(OCC)ccc2O)CC1 ZINC000179749070 402599587 /nfs/dbraw/zinc/59/95/87/402599587.db2.gz TYHZHUWSTYWEAY-UHFFFAOYSA-N 1 0 322.405 2.455 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CO[C@H](C)COC ZINC000278053321 402851314 /nfs/dbraw/zinc/85/13/14/402851314.db2.gz IZVNEIBUQWXJIK-GDBMZVCRSA-N 1 0 311.422 2.017 20 10 DECDRO COc1c(O)c(CN2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278151293 402860147 /nfs/dbraw/zinc/86/01/47/402860147.db2.gz CHTAFJGPRQKPJI-UHFFFAOYSA-N 1 0 322.361 2.454 20 10 DECDRO COCC[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279749453 402961773 /nfs/dbraw/zinc/96/17/73/402961773.db2.gz XXTLPEUAZLSSGE-UHFFFAOYSA-N 1 0 320.355 2.212 20 10 DECDRO COc1cc(O)c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1OC ZINC000280687099 403026908 /nfs/dbraw/zinc/02/69/08/403026908.db2.gz VKPZXWUGGUNLSG-GTNSWQLSSA-N 1 0 307.390 2.409 20 10 DECDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280930104 403050706 /nfs/dbraw/zinc/05/07/06/403050706.db2.gz QHSZPVFZEWPYJW-GFCCVEGCSA-N 1 0 320.355 2.258 20 10 DECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000281172437 403060002 /nfs/dbraw/zinc/06/00/02/403060002.db2.gz PZWPNBCICRIKGQ-GFCCVEGCSA-N 1 0 323.458 2.499 20 10 DECDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000281522092 403070647 /nfs/dbraw/zinc/07/06/47/403070647.db2.gz HUSMPMGGXNSCGQ-KOLCDFICSA-N 1 0 318.211 2.203 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000268735877 403111306 /nfs/dbraw/zinc/11/13/06/403111306.db2.gz DFWZEKZRQOGJIH-XJKSGUPXSA-N 1 0 310.463 2.228 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000269190611 403124433 /nfs/dbraw/zinc/12/44/33/403124433.db2.gz MAPJSVKSNNWXQV-KRWDZBQOSA-N 1 0 303.450 2.489 20 10 DECDRO COc1cccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000276079413 403144482 /nfs/dbraw/zinc/14/44/82/403144482.db2.gz UDORAAIOPLAYNK-UHFFFAOYSA-N 1 0 316.405 2.191 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c(O)c1 ZINC000282649547 403157937 /nfs/dbraw/zinc/15/79/37/403157937.db2.gz HSXZOSCZFQECCX-MRXNPFEDSA-N 1 0 318.417 2.472 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277313775 403204053 /nfs/dbraw/zinc/20/40/53/403204053.db2.gz BOUAHGBWCZRAOV-UHFFFAOYSA-N 1 0 302.353 2.080 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1O ZINC000271115918 403265852 /nfs/dbraw/zinc/26/58/52/403265852.db2.gz BTHQFCCZZLTNLZ-UHFFFAOYSA-N 1 0 317.341 2.467 20 10 DECDRO CSCC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298414827 403377366 /nfs/dbraw/zinc/37/73/66/403377366.db2.gz IAQPLBAVZSAHQS-CQSZACIVSA-N 1 0 323.506 2.442 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)Cn1cccn1 ZINC000298715778 403445658 /nfs/dbraw/zinc/44/56/58/403445658.db2.gz MMBLTOQHOSELNN-GOSISDBHSA-N 1 0 316.449 2.221 20 10 DECDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000293738613 403552558 /nfs/dbraw/zinc/55/25/58/403552558.db2.gz ZYMYQWQUFHMREF-UHFFFAOYSA-N 1 0 305.353 2.249 20 10 DECDRO OCC1([C@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)CCOCC1 ZINC000293787102 403563994 /nfs/dbraw/zinc/56/39/94/403563994.db2.gz ZPCRRHIFWJBLLY-MRXNPFEDSA-N 1 0 309.381 2.189 20 10 DECDRO CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000293848133 403579565 /nfs/dbraw/zinc/57/95/65/403579565.db2.gz HNMXWIXHNMEHSY-LLVKDONJSA-N 1 0 317.838 2.302 20 10 DECDRO CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000293848137 403579608 /nfs/dbraw/zinc/57/96/08/403579608.db2.gz HNMXWIXHNMEHSY-NSHDSACASA-N 1 0 317.838 2.302 20 10 DECDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000295074625 403751861 /nfs/dbraw/zinc/75/18/61/403751861.db2.gz POPHIJIQVYRLPP-HNNXBMFYSA-N 1 0 313.781 2.057 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000295148324 403774670 /nfs/dbraw/zinc/77/46/70/403774670.db2.gz QWGMLMYSYPEFLE-ZDUSSCGKSA-N 1 0 308.378 2.063 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289668430 403991715 /nfs/dbraw/zinc/99/17/15/403991715.db2.gz NNAJGJHLUSBTNQ-VXGBXAGGSA-N 1 0 319.323 2.394 20 10 DECDRO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000296005943 404049249 /nfs/dbraw/zinc/04/92/49/404049249.db2.gz QSVYLVKXTKSNKV-GOSISDBHSA-N 1 0 305.466 2.250 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870434 404232954 /nfs/dbraw/zinc/23/29/54/404232954.db2.gz VKXAVYVRBSWONX-CHWSQXEVSA-N 1 0 316.405 2.064 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1O ZINC000291158553 404376496 /nfs/dbraw/zinc/37/64/96/404376496.db2.gz CCRUIVZCPRHRIB-UHFFFAOYSA-N 1 0 322.405 2.023 20 10 DECDRO CCNC(=O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367532140 405075802 /nfs/dbraw/zinc/07/58/02/405075802.db2.gz XSIYWVMYCZEQKZ-UHFFFAOYSA-N 1 0 323.440 2.475 20 10 DECDRO COc1cc(OC)c2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CCC2 ZINC000638530992 405529653 /nfs/dbraw/zinc/52/96/53/405529653.db2.gz QKIQADBSWJROKR-LBPRGKRZSA-N 1 0 302.374 2.031 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000529663277 405763503 /nfs/dbraw/zinc/76/35/03/405763503.db2.gz IQRHCAWKALNYTK-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO C[NH2+]CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000573501534 406774175 /nfs/dbraw/zinc/77/41/75/406774175.db2.gz UANDQGLFWNVZNX-UHFFFAOYSA-N 1 0 317.433 2.244 20 10 DECDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)C(=O)N1CCOCC1 ZINC000279966136 286923094 /nfs/dbraw/zinc/92/30/94/286923094.db2.gz CQHAQTPOUSPBRC-JKSUJKDBSA-N 1 0 320.433 2.379 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987808 287033841 /nfs/dbraw/zinc/03/38/41/287033841.db2.gz ZHBOKDZAZVSMIW-RHSMWYFYSA-N 1 0 320.433 2.325 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369486103 227031425 /nfs/dbraw/zinc/03/14/25/227031425.db2.gz UHCNTOJDJHFTJY-FUHWJXTLSA-N 1 0 302.418 2.134 20 10 DECDRO CC[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+](C)C ZINC000298684605 287454378 /nfs/dbraw/zinc/45/43/78/287454378.db2.gz USTUFVITGBXGFW-JKSUJKDBSA-N 1 0 320.433 2.240 20 10 DECDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC000374282425 227131174 /nfs/dbraw/zinc/13/11/74/227131174.db2.gz HBCCPBRGEJFGOM-UHFFFAOYSA-N 1 0 315.373 2.083 20 10 DECDRO COCC(COC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000834892408 649858205 /nfs/dbraw/zinc/85/82/05/649858205.db2.gz SECCCOGQXFIMFN-SECBINFHSA-N 1 0 318.211 2.467 20 10 DECDRO OC[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2O1 ZINC000662259066 425603427 /nfs/dbraw/zinc/60/34/27/425603427.db2.gz PKRDXFGLRCBPKS-MRXNPFEDSA-N 1 0 310.397 2.092 20 10 DECDRO CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286323393 288047192 /nfs/dbraw/zinc/04/71/92/288047192.db2.gz XQRXDSDKSRMYDR-YOEHRIQHSA-N 1 0 323.456 2.456 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)c1O ZINC001349328918 1151241872 /nfs/dbraw/zinc/24/18/72/1151241872.db2.gz ASKLFZBMADDMSU-NWANDNLSSA-N 1 0 318.417 2.137 20 10 DECDRO CNC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835025944 649867891 /nfs/dbraw/zinc/86/78/91/649867891.db2.gz OPWDDOWJAMKPAJ-LXXRFIIISA-N 1 0 301.434 2.366 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000187826892 533953143 /nfs/dbraw/zinc/95/31/43/533953143.db2.gz SOFMUMHKMZHYBG-HOGDKLEQSA-N 1 0 305.827 2.253 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1 ZINC000835028475 649868755 /nfs/dbraw/zinc/86/87/55/649868755.db2.gz RKFCMELKTYDYEA-KEGWNNHHSA-N 1 0 301.434 2.496 20 10 DECDRO CCOCC[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000127442249 519922028 /nfs/dbraw/zinc/92/20/28/519922028.db2.gz UJVFUXBFVNUUDM-UHFFFAOYSA-N 1 0 309.429 2.046 20 10 DECDRO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375237644 534473185 /nfs/dbraw/zinc/47/31/85/534473185.db2.gz OOZWUUXTMOZJRK-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000264875539 521317060 /nfs/dbraw/zinc/31/70/60/521317060.db2.gz PXNWZRDUHOYZOJ-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181066904 521590505 /nfs/dbraw/zinc/59/05/05/521590505.db2.gz SRKSKVLEPYYVGP-RCQQVGEISA-N 1 0 304.390 2.102 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](C)C1CC1 ZINC000264910259 521687599 /nfs/dbraw/zinc/68/75/99/521687599.db2.gz WTBRFXTYIGKFKC-UHFFFAOYSA-N 1 0 305.422 2.408 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000128072550 521851213 /nfs/dbraw/zinc/85/12/13/521851213.db2.gz SCXQXLZSJPKQAO-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182232472 522211600 /nfs/dbraw/zinc/21/16/00/522211600.db2.gz YQYNKDYTNPMSST-JKSUJKDBSA-N 1 0 310.463 2.198 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC[NH2+]C3)c2C)cc1 ZINC000127268469 523314740 /nfs/dbraw/zinc/31/47/40/523314740.db2.gz GCXBUQRMIOJMSX-CQSZACIVSA-N 1 0 313.401 2.194 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000317382267 534717061 /nfs/dbraw/zinc/71/70/61/534717061.db2.gz VANZVEDZRPDZJX-HNNXBMFYSA-N 1 0 301.390 2.057 20 10 DECDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(N)cc1 ZINC000237557516 524634472 /nfs/dbraw/zinc/63/44/72/524634472.db2.gz RDGJDRHXRBFHCL-KFWWJZLASA-N 1 0 303.450 2.294 20 10 DECDRO COc1ccnc(N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000180047238 524845052 /nfs/dbraw/zinc/84/50/52/524845052.db2.gz BGQYPQXEGGFLDW-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000157550123 524893105 /nfs/dbraw/zinc/89/31/05/524893105.db2.gz ZXCPKFMKZSKMBH-XUXIUFHCSA-N 1 0 320.433 2.406 20 10 DECDRO Cc1c(C[NH2+]Cc2cc(Br)ccc2O)cnn1C ZINC000156547333 525725300 /nfs/dbraw/zinc/72/53/00/525725300.db2.gz ACIMSULKLNXTEH-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO Oc1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCC3)C1)OCO2 ZINC000131375764 526336160 /nfs/dbraw/zinc/33/61/60/526336160.db2.gz WQLPPMYYMKLGHY-ZDUSSCGKSA-N 1 0 304.390 2.039 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000237888357 527475806 /nfs/dbraw/zinc/47/58/06/527475806.db2.gz LKCJWIHTLAEMKX-QGZVFWFLSA-N 1 0 301.434 2.288 20 10 DECDRO CC1(C)[C@H]([NH2+]Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000189337349 527871386 /nfs/dbraw/zinc/87/13/86/527871386.db2.gz LRSNXINUKHRGOG-NEPJUHHUSA-N 1 0 300.196 2.404 20 10 DECDRO CC[NH+](CC)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000261856274 528092157 /nfs/dbraw/zinc/09/21/57/528092157.db2.gz FENXYQREFPMFRU-UHFFFAOYSA-N 1 0 303.450 2.392 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@]12CCCO2 ZINC000272666877 535410782 /nfs/dbraw/zinc/41/07/82/535410782.db2.gz JFKTWQQNHNHXSR-ZACQAIPSSA-N 1 0 307.390 2.217 20 10 DECDRO CC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000299466944 535468931 /nfs/dbraw/zinc/46/89/31/535468931.db2.gz ZSJINOZBNKQVQI-UHFFFAOYSA-N 1 0 322.428 2.175 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000285532818 535686698 /nfs/dbraw/zinc/68/66/98/535686698.db2.gz FPMPUJLEHMCWAQ-CYBMUJFWSA-N 1 0 300.406 2.467 20 10 DECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000835048362 649871562 /nfs/dbraw/zinc/87/15/62/649871562.db2.gz HMBPBIGYIGDQPP-CXAIIMIESA-N 1 0 306.475 2.466 20 10 DECDRO CN(C)c1ccc(/C=C\CN2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000835046074 649871579 /nfs/dbraw/zinc/87/15/79/649871579.db2.gz RIZLDHJHCSGSLN-WAYWQWQTSA-N 1 0 317.477 2.154 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000835046914 649871606 /nfs/dbraw/zinc/87/16/06/649871606.db2.gz NEQVCDDBZLKIOL-JXCVUKRWSA-N 1 0 302.418 2.257 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054996 649873015 /nfs/dbraw/zinc/87/30/15/649873015.db2.gz PBTBCTFMTXXJJQ-LSLCWXNRSA-N 1 0 315.461 2.171 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000835075043 649875891 /nfs/dbraw/zinc/87/58/91/649875891.db2.gz UUOSQJDWCCEJJV-UKRRQHHQSA-N 1 0 304.390 2.034 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311211905 625303233 /nfs/dbraw/zinc/30/32/33/625303233.db2.gz LMRJEHXCWSADQF-ZWNOBZJWSA-N 1 0 311.223 2.339 20 10 DECDRO [NH3+][C@H](CCNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000892398607 625437511 /nfs/dbraw/zinc/43/75/11/625437511.db2.gz MKOPKCDSVXVXAV-MRXNPFEDSA-N 1 0 313.401 2.152 20 10 DECDRO CCC[C@]1(C)C(=O)NCCN1Cc1cc(OCC)ccc1O ZINC000189033822 625460785 /nfs/dbraw/zinc/46/07/85/625460785.db2.gz RQTWEVBAVPCBBN-QGZVFWFLSA-N 1 0 306.406 2.282 20 10 DECDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160309404 623474298 /nfs/dbraw/zinc/47/42/98/623474298.db2.gz HSYOANFXHHGUMP-CQSZACIVSA-N 1 0 309.406 2.194 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000840917141 625668643 /nfs/dbraw/zinc/66/86/43/625668643.db2.gz OQAAPVCADSGNCR-KRWDZBQOSA-N 1 0 317.477 2.215 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(O)cc1C ZINC000160389258 623733113 /nfs/dbraw/zinc/73/31/13/623733113.db2.gz HUTJZISEQGFKAG-RDJZCZTQSA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)cc1C ZINC000160450661 623764436 /nfs/dbraw/zinc/76/44/36/623764436.db2.gz XECIJBBILWUWCS-XJKSGUPXSA-N 1 0 309.431 2.416 20 10 DECDRO CC[C@H](C)OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251061 623797227 /nfs/dbraw/zinc/79/72/27/623797227.db2.gz CRFINMNLSKFUIV-YOEHRIQHSA-N 1 0 321.465 2.287 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccco2)[NH+](C)C)cc1 ZINC000891253182 623799487 /nfs/dbraw/zinc/79/94/87/623799487.db2.gz RHXIENOOHMHIAP-KRWDZBQOSA-N 1 0 315.417 2.307 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000891258148 623804600 /nfs/dbraw/zinc/80/46/00/623804600.db2.gz OLKDNTLVEYSNEW-QGZVFWFLSA-N 1 0 312.417 2.180 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C)C2)cc1C ZINC001021799494 624094081 /nfs/dbraw/zinc/09/40/81/624094081.db2.gz QXPLPXGVRCYUEU-FWYOQMDTSA-N 1 0 302.418 2.396 20 10 DECDRO CC(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891445649 624186557 /nfs/dbraw/zinc/18/65/57/624186557.db2.gz RBTPITSFIQRVSN-MRXNPFEDSA-N 1 0 306.454 2.311 20 10 DECDRO COc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(O)c1OC ZINC000891934360 624669401 /nfs/dbraw/zinc/66/94/01/624669401.db2.gz ZIWRTAQVDLOMQH-HNNXBMFYSA-N 1 0 320.433 2.470 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1O ZINC000892189544 624832728 /nfs/dbraw/zinc/83/27/28/624832728.db2.gz YISBUAFCLFZPMH-XJFOESAGSA-N 1 0 303.406 2.141 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)c(O)c1OC ZINC000892554118 625145501 /nfs/dbraw/zinc/14/55/01/625145501.db2.gz YGSKVUWARFZUHG-ZDUSSCGKSA-N 1 0 308.422 2.373 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC001023150045 625170262 /nfs/dbraw/zinc/17/02/62/625170262.db2.gz RVGDKZVYNFLLEI-OKILXGFUSA-N 1 0 315.377 2.109 20 10 DECDRO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001019845877 625841820 /nfs/dbraw/zinc/84/18/20/625841820.db2.gz GQHHQBWGADIDKH-AWEZNQCLSA-N 1 0 317.393 2.309 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000725845089 625944414 /nfs/dbraw/zinc/94/44/14/625944414.db2.gz JYFMLFSSGWOECR-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000840934628 634782452 /nfs/dbraw/zinc/78/24/52/634782452.db2.gz SWSYBEMXWSOTML-UNEWFSDZSA-N 1 0 301.434 2.160 20 10 DECDRO CC(C)(CC[NH3+])NC(=O)NCCCSc1nccs1 ZINC000817875860 633569397 /nfs/dbraw/zinc/56/93/97/633569397.db2.gz ABZJXQKAWCYSHG-UHFFFAOYSA-N 1 0 302.469 2.052 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921748534 634833260 /nfs/dbraw/zinc/83/32/60/634833260.db2.gz WQMFWVFCYNOHGK-UHFFFAOYSA-N 1 0 314.433 2.157 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000840952172 635424143 /nfs/dbraw/zinc/42/41/43/635424143.db2.gz UGIUHZPSTQXTDT-MRXNPFEDSA-N 1 0 318.465 2.297 20 10 DECDRO CC[NH+]1CCC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001002159717 635630043 /nfs/dbraw/zinc/63/00/43/635630043.db2.gz NMDZNKFIVTYJFV-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000893677659 635757025 /nfs/dbraw/zinc/75/70/25/635757025.db2.gz XDKNCSJHBSCHRQ-AAEUAGOBSA-N 1 0 323.389 2.183 20 10 DECDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921998996 635797224 /nfs/dbraw/zinc/79/72/24/635797224.db2.gz QKELZOYNSVWMRQ-KRWDZBQOSA-N 1 0 305.418 2.279 20 10 DECDRO CC1([NH+]2CCC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000922171771 635964851 /nfs/dbraw/zinc/96/48/51/635964851.db2.gz MGWXEIOFISGYJQ-XQRVVYSFSA-N 1 0 316.401 2.198 20 10 DECDRO CC(C)(CNC(=O)NCc1c(O)cccc1F)C[NH+]1CCCC1 ZINC000922177146 635967907 /nfs/dbraw/zinc/96/79/07/635967907.db2.gz FUAXGQKTUMBBRC-UHFFFAOYSA-N 1 0 323.412 2.453 20 10 DECDRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2O)[nH]1 ZINC000922408676 636160869 /nfs/dbraw/zinc/16/08/69/636160869.db2.gz CDPGYJWDZJMPOT-QMTHXVAHSA-N 1 0 322.796 2.340 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922592544 636268060 /nfs/dbraw/zinc/26/80/60/636268060.db2.gz RKZWOLPKFLFUJM-DUMMIQTOSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2CC3(C2)OCCO3)cc1F ZINC000922802033 636415060 /nfs/dbraw/zinc/41/50/60/636415060.db2.gz JAZWHXCCWQTQPG-UHFFFAOYSA-N 1 0 312.360 2.274 20 10 DECDRO CCC[C@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922825383 636422757 /nfs/dbraw/zinc/42/27/57/636422757.db2.gz OVUNBVZLDXXBCU-HNNXBMFYSA-N 1 0 310.413 2.303 20 10 DECDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209161 636449082 /nfs/dbraw/zinc/44/90/82/636449082.db2.gz OSCPJAAAFKGELV-DZGCQCFKSA-N 1 0 324.371 2.213 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000923006417 636906407 /nfs/dbraw/zinc/90/64/07/636906407.db2.gz BZGZATNGQCOWLV-UHFFFAOYSA-N 1 0 317.433 2.164 20 10 DECDRO COC(=O)c1c(CNC[C@H](C)[NH+](C)C)c2cc(F)ccc2n1C ZINC000894391460 636988171 /nfs/dbraw/zinc/98/81/71/636988171.db2.gz IECKAZYTUIORDV-NSHDSACASA-N 1 0 321.396 2.144 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1O ZINC000894394503 636993439 /nfs/dbraw/zinc/99/34/39/636993439.db2.gz SOZCGQJWAYOKKV-GFCCVEGCSA-N 1 0 318.373 2.097 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000894488109 637064637 /nfs/dbraw/zinc/06/46/37/637064637.db2.gz SWCGCUJEYYNOJS-MRXNPFEDSA-N 1 0 301.386 2.402 20 10 DECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000894691712 637164483 /nfs/dbraw/zinc/16/44/83/637164483.db2.gz BYVMUVQYXNZYPP-AWEZNQCLSA-N 1 0 324.421 2.002 20 10 DECDRO O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000923450174 637188535 /nfs/dbraw/zinc/18/85/35/637188535.db2.gz FSPAJQLOKXQFMO-ZDUSSCGKSA-N 1 0 321.396 2.347 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCO2)c(C(F)(F)F)c1 ZINC000894878937 637284874 /nfs/dbraw/zinc/28/48/74/637284874.db2.gz NRGXLDHEGIKRIY-GFCCVEGCSA-N 1 0 304.312 2.234 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000895013249 637375184 /nfs/dbraw/zinc/37/51/84/637375184.db2.gz ZOCXIKDDUQDYKH-GFCCVEGCSA-N 1 0 302.378 2.125 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1 ZINC000895007204 637378531 /nfs/dbraw/zinc/37/85/31/637378531.db2.gz VKSFEMRMVODYLI-SJORKVTESA-N 1 0 310.397 2.402 20 10 DECDRO CN1CCCc2cc(CNC(=O)NC(C)(C)C[NH+](C)C)ccc21 ZINC000838031489 637389091 /nfs/dbraw/zinc/38/90/91/637389091.db2.gz IXSADKHRNXKGCN-UHFFFAOYSA-N 1 0 318.465 2.208 20 10 DECDRO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000840822706 650362526 /nfs/dbraw/zinc/36/25/26/650362526.db2.gz PIMRNTVSAQMSEE-MRXNPFEDSA-N 1 0 319.449 2.089 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCCn2cncn2)cc1F ZINC000740004235 637770235 /nfs/dbraw/zinc/77/02/35/637770235.db2.gz KWHPXEUXHMLJHK-UHFFFAOYSA-N 1 0 305.401 2.443 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140898 637803972 /nfs/dbraw/zinc/80/39/72/637803972.db2.gz KIIBBIHCTWFOIQ-UHFFFAOYSA-N 1 0 302.418 2.136 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839180441 637811975 /nfs/dbraw/zinc/81/19/75/637811975.db2.gz VJRZGXSRJATVRH-UHFFFAOYSA-N 1 0 313.394 2.082 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)NC(C)C)CC2)cc1 ZINC000840891372 650372108 /nfs/dbraw/zinc/37/21/08/650372108.db2.gz RNJYMFQZOPNZRS-CQSZACIVSA-N 1 0 319.449 2.167 20 10 DECDRO C[C@@H](CCNCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000895296817 637901083 /nfs/dbraw/zinc/90/10/83/637901083.db2.gz FGVAVVDEICUCOY-AWEZNQCLSA-N 1 0 309.429 2.092 20 10 DECDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000740900224 637915576 /nfs/dbraw/zinc/91/55/76/637915576.db2.gz MYCAVBSQSDEHHZ-MNOVXSKESA-N 1 0 317.838 2.491 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000840915556 650379597 /nfs/dbraw/zinc/37/95/97/650379597.db2.gz JBXYRJWLGVFXNL-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895476990 638045533 /nfs/dbraw/zinc/04/55/33/638045533.db2.gz OPKPGRKCVHLNKR-GFCCVEGCSA-N 1 0 307.390 2.340 20 10 DECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895599103 638102515 /nfs/dbraw/zinc/10/25/15/638102515.db2.gz PHCVZRJBDAVXLA-ZDUSSCGKSA-N 1 0 321.373 2.151 20 10 DECDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139033 638185449 /nfs/dbraw/zinc/18/54/49/638185449.db2.gz HODUBAOFKVSZQW-WBVHZDCISA-N 1 0 322.474 2.200 20 10 DECDRO OC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000840976382 650399173 /nfs/dbraw/zinc/39/91/73/650399173.db2.gz VOCDKUVKEPFFRW-HKUYNNGSSA-N 1 0 313.397 2.234 20 10 DECDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000744450464 638221814 /nfs/dbraw/zinc/22/18/14/638221814.db2.gz WCMCCWVMQYSOHK-OAHLLOKOSA-N 1 0 321.440 2.094 20 10 DECDRO COc1ccc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c(O)c1OC ZINC000895846493 638230995 /nfs/dbraw/zinc/23/09/95/638230995.db2.gz XMDZKDVGJXPBIH-CQSZACIVSA-N 1 0 308.422 2.181 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1N1CCCCC1 ZINC000747100562 638407870 /nfs/dbraw/zinc/40/78/70/638407870.db2.gz LJXKBVWPQBSWGV-UHFFFAOYSA-N 1 0 319.405 2.447 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896396392 638501424 /nfs/dbraw/zinc/50/14/24/638501424.db2.gz PJNFKAIJHYUCPN-YVEFUNNKSA-N 1 0 320.389 2.111 20 10 DECDRO [NH3+]C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000841085656 650427078 /nfs/dbraw/zinc/42/70/78/650427078.db2.gz AFSRXPJBVDDMTK-KRWDZBQOSA-N 1 0 321.440 2.269 20 10 DECDRO C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C[NH3+] ZINC000841101395 650431337 /nfs/dbraw/zinc/43/13/37/650431337.db2.gz VTRPHQGNSDYFKE-GXSJLCMTSA-N 1 0 313.785 2.371 20 10 DECDRO COc1cc(O)c(CN2C[C@@H]([NH3+])Cc3ccccc32)cc1OC ZINC000841106951 650432980 /nfs/dbraw/zinc/43/29/80/650432980.db2.gz SWQRPRGCFAQBFY-AWEZNQCLSA-N 1 0 314.385 2.299 20 10 DECDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000841107166 650433011 /nfs/dbraw/zinc/43/30/11/650433011.db2.gz XFVVFAUPFYQTGR-SFHVURJKSA-N 1 0 323.440 2.413 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1 ZINC000896920210 639080072 /nfs/dbraw/zinc/08/00/72/639080072.db2.gz FNPTUAOAZJMMGM-OAHLLOKOSA-N 1 0 307.390 2.219 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C3CC3)n(C)n2)c(O)c1OC ZINC000897230556 639264793 /nfs/dbraw/zinc/26/47/93/639264793.db2.gz NXSXAQYELJWNMA-UHFFFAOYSA-N 1 0 317.389 2.310 20 10 DECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000897341765 639515508 /nfs/dbraw/zinc/51/55/08/639515508.db2.gz LFEPQPAXFPVMDM-HNNXBMFYSA-N 1 0 306.406 2.104 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000756353422 639652982 /nfs/dbraw/zinc/65/29/82/639652982.db2.gz CURNREPFUFGDSP-INIZCTEOSA-N 1 0 319.449 2.027 20 10 DECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756573566 639677008 /nfs/dbraw/zinc/67/70/08/639677008.db2.gz BHHJCZDBCWZLSH-NOZJJQNGSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CC2(CO)CCOCC2)c2c1c(F)ccc2O ZINC000756762094 639693015 /nfs/dbraw/zinc/69/30/15/639693015.db2.gz SSZCJBOCXJKSLD-YPMHNXCESA-N 1 0 309.381 2.458 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CC2(CO)CCOCC2)c2c1c(F)ccc2O ZINC000756762092 639693081 /nfs/dbraw/zinc/69/30/81/639693081.db2.gz SSZCJBOCXJKSLD-WCQYABFASA-N 1 0 309.381 2.458 20 10 DECDRO COc1ccc(N2CCC([NH2+]C3COC(C)(C)OC3)CC2)cc1 ZINC000757704308 639871707 /nfs/dbraw/zinc/87/17/07/639871707.db2.gz JGMJTHWHEGOZKZ-UHFFFAOYSA-N 1 0 320.433 2.405 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCC3)CC1)[C@@H](O)CO2 ZINC000841685046 650539290 /nfs/dbraw/zinc/53/92/90/650539290.db2.gz DGENQHTTXWTKQF-KRWDZBQOSA-N 1 0 319.401 2.352 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841718794 650550476 /nfs/dbraw/zinc/55/04/76/650550476.db2.gz XDAMPFPKCIIUKX-GDBMZVCRSA-N 1 0 318.465 2.473 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000841718561 650550559 /nfs/dbraw/zinc/55/05/59/650550559.db2.gz UXWFLDFZXCTLME-UHFFFAOYSA-N 1 0 318.465 2.474 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000841719649 650551122 /nfs/dbraw/zinc/55/11/22/650551122.db2.gz MULAJJWUZAZZHT-ZBFHGGJFSA-N 1 0 318.465 2.412 20 10 DECDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000841710479 650547028 /nfs/dbraw/zinc/54/70/28/650547028.db2.gz WNBIFTHDQJIBPT-GJZGRUSLSA-N 1 0 316.449 2.179 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759679 650558696 /nfs/dbraw/zinc/55/86/96/650558696.db2.gz HILDGRQNILICEG-IUODEOHRSA-N 1 0 322.428 2.303 20 10 DECDRO CCC[NH+]1CCC(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841770272 650560571 /nfs/dbraw/zinc/56/05/71/650560571.db2.gz LTPGRTUCPRFTDH-UHFFFAOYSA-N 1 0 318.465 2.233 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1O ZINC000761195823 640283900 /nfs/dbraw/zinc/28/39/00/640283900.db2.gz PHMSSSSIDCMXKW-GFCCVEGCSA-N 1 0 312.797 2.284 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000841798671 650567716 /nfs/dbraw/zinc/56/77/16/650567716.db2.gz LAFMTWVRYOQXBH-CQSZACIVSA-N 1 0 322.428 2.305 20 10 DECDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000841832888 650574811 /nfs/dbraw/zinc/57/48/11/650574811.db2.gz WIVLTCNKMJYDCU-MRXNPFEDSA-N 1 0 314.433 2.004 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]1 ZINC000841831152 650574830 /nfs/dbraw/zinc/57/48/30/650574830.db2.gz CLJINHLANHHHAR-HOCLYGCPSA-N 1 0 314.433 2.003 20 10 DECDRO C[NH+](C)CC1(C(=O)NCCc2ccc(O)c(O)c2)CCCCC1 ZINC000763283227 640526320 /nfs/dbraw/zinc/52/63/20/640526320.db2.gz NDCDDVFUALANHH-UHFFFAOYSA-N 1 0 320.433 2.269 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000764635018 640667705 /nfs/dbraw/zinc/66/77/05/640667705.db2.gz KPMNACZOXVOERF-UHFFFAOYSA-N 1 0 311.433 2.301 20 10 DECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000765931604 640829484 /nfs/dbraw/zinc/82/94/84/640829484.db2.gz GWZJQKQGJRFOQL-OAHLLOKOSA-N 1 0 315.797 2.228 20 10 DECDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841956799 650611933 /nfs/dbraw/zinc/61/19/33/650611933.db2.gz ITUPDXZLXIRHPK-UHFFFAOYSA-N 1 0 318.465 2.327 20 10 DECDRO C[NH+](C)CCC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841962844 650614151 /nfs/dbraw/zinc/61/41/51/650614151.db2.gz UGICVQZMEBIQBA-UHFFFAOYSA-N 1 0 318.465 2.185 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000841971266 650616286 /nfs/dbraw/zinc/61/62/86/650616286.db2.gz VRXFBGVTSVGGOU-SJCJKPOMSA-N 1 0 321.421 2.151 20 10 DECDRO C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H](C)[NH3+] ZINC000842004250 650625464 /nfs/dbraw/zinc/62/54/64/650625464.db2.gz JOFPNVJUZQAXHH-QWHCGFSZSA-N 1 0 304.438 2.162 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@H](O)C3CC3)CC2)cc1 ZINC000898203756 641046026 /nfs/dbraw/zinc/04/60/26/641046026.db2.gz IICPWHPVWPTSQW-SFHVURJKSA-N 1 0 304.434 2.415 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898199582 641057582 /nfs/dbraw/zinc/05/75/82/641057582.db2.gz OUFXXLQPFLMAIB-GFCCVEGCSA-N 1 0 300.196 2.405 20 10 DECDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(O)cc1C ZINC000768444764 641082141 /nfs/dbraw/zinc/08/21/41/641082141.db2.gz CKECNKCPKFTBON-CQSZACIVSA-N 1 0 307.390 2.437 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccco3)C1)[C@H](O)CO2 ZINC000768444384 641082174 /nfs/dbraw/zinc/08/21/74/641082174.db2.gz AQDSRVBXXPUGBZ-IAQYHMDHSA-N 1 0 301.342 2.401 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769329803 641219064 /nfs/dbraw/zinc/21/90/64/641219064.db2.gz VBDMKLOTWAOZQG-GOEBONIOSA-N 1 0 310.825 2.077 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769327305 641219328 /nfs/dbraw/zinc/21/93/28/641219328.db2.gz WBFSUACGYVXWIM-LJQANCHMSA-N 1 0 315.461 2.192 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000769469373 641245819 /nfs/dbraw/zinc/24/58/19/641245819.db2.gz XESUOTCHUBBTNN-MRXNPFEDSA-N 1 0 324.490 2.399 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC000769471301 641245907 /nfs/dbraw/zinc/24/59/07/641245907.db2.gz RZCONSZYMIUQAF-CYBMUJFWSA-N 1 0 305.296 2.290 20 10 DECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770377573 641361626 /nfs/dbraw/zinc/36/16/26/641361626.db2.gz AIQLVDOJBYUHSS-HNNXBMFYSA-N 1 0 307.413 2.192 20 10 DECDRO CCN(C)c1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1 ZINC000842163587 650664028 /nfs/dbraw/zinc/66/40/28/650664028.db2.gz QBOJPLLAIRVIHU-JKSUJKDBSA-N 1 0 305.466 2.030 20 10 DECDRO CCN(C)c1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1 ZINC000842163586 650664146 /nfs/dbraw/zinc/66/41/46/650664146.db2.gz QBOJPLLAIRVIHU-HZPDHXFCSA-N 1 0 305.466 2.030 20 10 DECDRO C[NH+]1CCN(c2ccc(CNCc3nccs3)cc2)CC1 ZINC000771824159 641555594 /nfs/dbraw/zinc/55/55/94/641555594.db2.gz MGKCUZATDZEWBQ-UHFFFAOYSA-N 1 0 302.447 2.185 20 10 DECDRO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCCCC2)cc1 ZINC000772468374 641642215 /nfs/dbraw/zinc/64/22/15/641642215.db2.gz SZYKFZYFBWDETJ-CQSZACIVSA-N 1 0 314.437 2.094 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898388406 641644190 /nfs/dbraw/zinc/64/41/90/641644190.db2.gz SXANNHSMVCLUAY-QZTJIDSGSA-N 1 0 302.418 2.038 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898388410 641644300 /nfs/dbraw/zinc/64/43/00/641644300.db2.gz SXANNHSMVCLUAY-ROUUACIJSA-N 1 0 302.418 2.038 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1O ZINC000898463445 641669200 /nfs/dbraw/zinc/66/92/00/641669200.db2.gz RFEYIAQYPMDTKZ-XJKSGUPXSA-N 1 0 324.808 2.345 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000773367570 641764972 /nfs/dbraw/zinc/76/49/72/641764972.db2.gz LMDTYMYOCXRGOL-CJNGLKHVSA-N 1 0 304.438 2.207 20 10 DECDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773754107 641819705 /nfs/dbraw/zinc/81/97/05/641819705.db2.gz OQLYEJYZEYMJSA-QGZVFWFLSA-N 1 0 305.466 2.031 20 10 DECDRO CCCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256106 642022237 /nfs/dbraw/zinc/02/22/37/642022237.db2.gz VNLZSNGNAAQLKN-OAHLLOKOSA-N 1 0 319.449 2.090 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H]2C)c1 ZINC000775370878 642036812 /nfs/dbraw/zinc/03/68/12/642036812.db2.gz JNZBTMNITZXADR-STQMWFEESA-N 1 0 306.406 2.452 20 10 DECDRO Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc[nH+]1 ZINC000775451638 642045953 /nfs/dbraw/zinc/04/59/53/642045953.db2.gz PTMAMTXYACEMAH-INIZCTEOSA-N 1 0 324.428 2.126 20 10 DECDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000775711960 642083100 /nfs/dbraw/zinc/08/31/00/642083100.db2.gz CCUKUXCERZPFSO-LLVKDONJSA-N 1 0 317.838 2.221 20 10 DECDRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832735 642102778 /nfs/dbraw/zinc/10/27/78/642102778.db2.gz AZGMCFLVFBVBFX-ZDUSSCGKSA-N 1 0 320.437 2.029 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCO1 ZINC000775834922 642103142 /nfs/dbraw/zinc/10/31/42/642103142.db2.gz VXVCBHYZKYNFLP-GRDNDAEWSA-N 1 0 319.449 2.087 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771746 642206612 /nfs/dbraw/zinc/20/66/12/642206612.db2.gz JBJDVQWEWJKZOB-WBVHZDCISA-N 1 0 319.401 2.209 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000776869740 642214203 /nfs/dbraw/zinc/21/42/03/642214203.db2.gz ZGDKEXDHAMVPKD-FRFSOERESA-N 1 0 309.406 2.172 20 10 DECDRO COCC1([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000777237092 642248568 /nfs/dbraw/zinc/24/85/68/642248568.db2.gz FMUHTWNNHXSQLI-CYBMUJFWSA-N 1 0 308.397 2.492 20 10 DECDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@@H+]1CCCC[C@H]1C ZINC000779497677 642505481 /nfs/dbraw/zinc/50/54/81/642505481.db2.gz OJRPTCALXIBMPW-BIYBCCJYSA-N 1 0 318.417 2.490 20 10 DECDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000842515180 650759026 /nfs/dbraw/zinc/75/90/26/650759026.db2.gz WAFMHPPSUXMLLZ-KRWDZBQOSA-N 1 0 301.434 2.048 20 10 DECDRO CCSCC[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000783651505 643034134 /nfs/dbraw/zinc/03/41/34/643034134.db2.gz RMOGLOYHBZAZPO-OAHLLOKOSA-N 1 0 321.490 2.231 20 10 DECDRO COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000902482107 643056862 /nfs/dbraw/zinc/05/68/62/643056862.db2.gz JFNCQIAJKAWRSL-JSGCOSHPSA-N 1 0 306.406 2.362 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)[C@@H](O)CO2 ZINC000784006306 643082313 /nfs/dbraw/zinc/08/23/13/643082313.db2.gz FOTJQXJJEBMNFI-DYVFJYSZSA-N 1 0 319.401 2.067 20 10 DECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784640503 643159897 /nfs/dbraw/zinc/15/98/97/643159897.db2.gz PNVOVFVNDMQQOX-GUYCJALGSA-N 1 0 308.397 2.319 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1OC ZINC000785989167 643308627 /nfs/dbraw/zinc/30/86/27/643308627.db2.gz SXBMHIDBIORORR-SCRDCRAPSA-N 1 0 309.406 2.391 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000786765137 643407073 /nfs/dbraw/zinc/40/70/73/643407073.db2.gz OSCKVIZXBPJWSM-QGZVFWFLSA-N 1 0 301.434 2.338 20 10 DECDRO CO[C@H]1CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000787217048 643466657 /nfs/dbraw/zinc/46/66/57/643466657.db2.gz NJQGRBZMCLHPJS-KRWDZBQOSA-N 1 0 319.449 2.168 20 10 DECDRO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954524 643528928 /nfs/dbraw/zinc/52/89/28/643528928.db2.gz DIYHRJMMJFQOES-LBPRGKRZSA-N 1 0 301.356 2.226 20 10 DECDRO CN(C)c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974267 643531723 /nfs/dbraw/zinc/53/17/23/643531723.db2.gz NOOAIXGKYRWRAD-MRXNPFEDSA-N 1 0 303.450 2.001 20 10 DECDRO COc1cccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903982894 643536895 /nfs/dbraw/zinc/53/68/95/643536895.db2.gz ZBZURFPXVAGEQU-WDEREUQCSA-N 1 0 304.312 2.112 20 10 DECDRO COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903984331 643539794 /nfs/dbraw/zinc/53/97/94/643539794.db2.gz UIBMGAYLGQEFBS-NEPJUHHUSA-N 1 0 304.312 2.112 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cc1OC ZINC000904461887 643670097 /nfs/dbraw/zinc/67/00/97/643670097.db2.gz PQJBXJZGWMVHPP-RDTXWAMCSA-N 1 0 314.385 2.124 20 10 DECDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000905319209 643863244 /nfs/dbraw/zinc/86/32/44/643863244.db2.gz VPHVXNTZENIQNG-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790773013 643892317 /nfs/dbraw/zinc/89/23/17/643892317.db2.gz OPUNACIEJZMBNA-UHFFFAOYSA-N 1 0 306.406 2.292 20 10 DECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000791215097 643940157 /nfs/dbraw/zinc/94/01/57/643940157.db2.gz OKAXMCULPGBURK-YOEHRIQHSA-N 1 0 315.461 2.416 20 10 DECDRO COc1c([O-])c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000843055902 650879139 /nfs/dbraw/zinc/87/91/39/650879139.db2.gz ALMOQUAUWPFJOM-LBPRGKRZSA-N 1 0 311.382 2.114 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnc3nc(C)cc(C)n23)c(O)c1 ZINC000793386490 644243420 /nfs/dbraw/zinc/24/34/20/644243420.db2.gz SWPWIRGZTFVGPU-UHFFFAOYSA-N 1 0 312.373 2.350 20 10 DECDRO COc1ccc(CNC(=O)c2sccc2C[NH+](C)C)c(O)c1 ZINC000794388690 644407506 /nfs/dbraw/zinc/40/75/06/644407506.db2.gz ZPURFFPYHYLDDU-UHFFFAOYSA-N 1 0 320.414 2.454 20 10 DECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704809 644462858 /nfs/dbraw/zinc/46/28/58/644462858.db2.gz NSNBLSIWJSCWEA-UGSOOPFHSA-N 1 0 303.402 2.261 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000794715315 644465861 /nfs/dbraw/zinc/46/58/61/644465861.db2.gz QNFPMLNTWINJGI-GOSISDBHSA-N 1 0 320.433 2.396 20 10 DECDRO COc1ncccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000795789041 644635810 /nfs/dbraw/zinc/63/58/10/644635810.db2.gz GIMDOXVTCGKBSM-UHFFFAOYSA-N 1 0 312.417 2.454 20 10 DECDRO Cc1cncc(/C=C\C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299742 650944818 /nfs/dbraw/zinc/94/48/18/650944818.db2.gz ZDSMTWOEVWWIST-WMTBXTEMSA-N 1 0 324.428 2.285 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C(F)F)c1O ZINC000843385272 650963172 /nfs/dbraw/zinc/96/31/72/650963172.db2.gz HIIQPNZESOJSFW-GFCCVEGCSA-N 1 0 318.751 2.287 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843386792 650963181 /nfs/dbraw/zinc/96/31/81/650963181.db2.gz NMULADRVTDIIHG-XHDPSFHLSA-N 1 0 308.809 2.432 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000843413553 650969733 /nfs/dbraw/zinc/96/97/33/650969733.db2.gz SUWCYHXLTWFMBT-CYBMUJFWSA-N 1 0 312.360 2.376 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000843489267 650983293 /nfs/dbraw/zinc/98/32/93/650983293.db2.gz LHRMFRDTDSMYRC-KZULUSFZSA-N 1 0 314.385 2.452 20 10 DECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000843487699 650983663 /nfs/dbraw/zinc/98/36/63/650983663.db2.gz KWCWYPCGOKIFGN-IAGOWNOFSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000839918536 645297232 /nfs/dbraw/zinc/29/72/32/645297232.db2.gz MPWZEXPWWUPVNP-GDBMZVCRSA-N 1 0 303.450 2.060 20 10 DECDRO CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000843989477 651059570 /nfs/dbraw/zinc/05/95/70/651059570.db2.gz OMAWGSXCPJHBSH-DYLGSBMWSA-N 1 0 304.390 2.054 20 10 DECDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000808228705 646059321 /nfs/dbraw/zinc/05/93/21/646059321.db2.gz WARGKINQMSUZAJ-LLVKDONJSA-N 1 0 306.406 2.093 20 10 DECDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000912808005 646172097 /nfs/dbraw/zinc/17/20/97/646172097.db2.gz SDGFRYTZQBYUDT-GXTWGEPZSA-N 1 0 306.406 2.290 20 10 DECDRO Cn1nc2c(c1C[NH2+]Cc1cc3c(cc1O)OCO3)CCCC2 ZINC000812773236 646692842 /nfs/dbraw/zinc/69/28/42/646692842.db2.gz AZIMWBANERJZLM-UHFFFAOYSA-N 1 0 315.373 2.023 20 10 DECDRO COc1cccc(C[NH2+]Cc2cnnn2Cc2ccccc2)c1O ZINC000814169250 646856992 /nfs/dbraw/zinc/85/69/92/646856992.db2.gz DBJGOAOIWXXONN-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OCC)cc1O ZINC000814301043 646870471 /nfs/dbraw/zinc/87/04/71/646870471.db2.gz PGQGAOZBHVGAFB-CYBMUJFWSA-N 1 0 308.422 2.433 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)[C@@H]1n1cccn1 ZINC000815166591 646982797 /nfs/dbraw/zinc/98/27/97/646982797.db2.gz HKWVLJAOOLMOPG-UAGQMJEPSA-N 1 0 301.390 2.405 20 10 DECDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCS(=O)(=O)C1 ZINC000816513767 647145799 /nfs/dbraw/zinc/14/57/99/647145799.db2.gz BBGCQXVKHLGGAQ-CYBMUJFWSA-N 1 0 319.426 2.412 20 10 DECDRO C[C@H]1CN(CC[NH2+]Cc2ccc3ccccc3c2O)CCO1 ZINC000816548551 647150674 /nfs/dbraw/zinc/15/06/74/647150674.db2.gz LGRUXENMWZPIDG-AWEZNQCLSA-N 1 0 300.402 2.356 20 10 DECDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816560429 647152767 /nfs/dbraw/zinc/15/27/67/647152767.db2.gz ONCAHJRUJHZNDO-UHFFFAOYSA-N 1 0 301.390 2.248 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)[C@H]1CCOC1 ZINC000816597286 647157186 /nfs/dbraw/zinc/15/71/86/647157186.db2.gz MDYDZCAOSXRTOQ-HOTGVXAUSA-N 1 0 301.386 2.280 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)[C@H]1CCOC1 ZINC000816597288 647157353 /nfs/dbraw/zinc/15/73/53/647157353.db2.gz MDYDZCAOSXRTOQ-JKSUJKDBSA-N 1 0 301.386 2.280 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1C ZINC000816666776 647165309 /nfs/dbraw/zinc/16/53/09/647165309.db2.gz VXRSIQSXWFFJOA-ZWKOTPCHSA-N 1 0 305.418 2.413 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)[C@@H]1n1cccn1 ZINC000816672848 647167016 /nfs/dbraw/zinc/16/70/16/647167016.db2.gz LQTFTOBNBQNQQZ-OAGGEKHMSA-N 1 0 301.390 2.405 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000914254701 647241253 /nfs/dbraw/zinc/24/12/53/647241253.db2.gz RCQQPRDPHXFIHE-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1O ZINC000817419960 647290966 /nfs/dbraw/zinc/29/09/66/647290966.db2.gz MTUCRDAGDGNRAC-ZDUSSCGKSA-N 1 0 309.406 2.465 20 10 DECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000153166708 647364772 /nfs/dbraw/zinc/36/47/72/647364772.db2.gz AYKAQYRZJYLJCX-CALCHBBNSA-N 1 0 304.434 2.164 20 10 DECDRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000817876795 647370837 /nfs/dbraw/zinc/37/08/37/647370837.db2.gz LIBDOUQRZSSAFO-UHFFFAOYSA-N 1 0 304.438 2.213 20 10 DECDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961035 647394986 /nfs/dbraw/zinc/39/49/86/647394986.db2.gz TUBSBOKSPJUCSA-LRDDRELGSA-N 1 0 307.413 2.050 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)C(=O)[O-])cc2)CC1 ZINC000818629257 647492527 /nfs/dbraw/zinc/49/25/27/647492527.db2.gz YDMAZIUXEHHBSX-UHFFFAOYSA-N 1 0 319.449 2.029 20 10 DECDRO CN(C)c1ccc(CN(C(=O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000915216630 647495938 /nfs/dbraw/zinc/49/59/38/647495938.db2.gz JKFUKTALYMJMEH-UHFFFAOYSA-N 1 0 301.434 2.339 20 10 DECDRO CC[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966751 647551477 /nfs/dbraw/zinc/55/14/77/647551477.db2.gz OAGCFQTYFUXOPT-YDHLFZDLSA-N 1 0 310.413 2.300 20 10 DECDRO C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[NH+](C)C ZINC000820871445 647936799 /nfs/dbraw/zinc/93/67/99/647936799.db2.gz FPPDNMOJHWSCOS-CYBMUJFWSA-N 1 0 302.374 2.464 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@](C)(O)c1ccccc1 ZINC000822515408 648224061 /nfs/dbraw/zinc/22/40/61/648224061.db2.gz ALVKVCANTCTRMY-SFHVURJKSA-N 1 0 315.369 2.460 20 10 DECDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000822520518 648224900 /nfs/dbraw/zinc/22/49/00/648224900.db2.gz DZXOFLFOSOHDID-PKOBYXMFSA-N 1 0 315.461 2.049 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)on1 ZINC000179632849 648401200 /nfs/dbraw/zinc/40/12/00/648401200.db2.gz OFIZPCJNIYJRJI-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C[NH+](C)C ZINC000180810606 648516739 /nfs/dbraw/zinc/51/67/39/648516739.db2.gz FENNWGQFGYUEKV-YPUOHESYSA-N 1 0 306.406 2.204 20 10 DECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824603218 648621353 /nfs/dbraw/zinc/62/13/53/648621353.db2.gz OJJNGDOLYKDWII-AWEZNQCLSA-N 1 0 310.413 2.161 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1C ZINC000824655414 648630810 /nfs/dbraw/zinc/63/08/10/648630810.db2.gz WGUHEBZZOKLSJQ-UAGQMJEPSA-N 1 0 305.418 2.371 20 10 DECDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)OCO2 ZINC000824716715 648642060 /nfs/dbraw/zinc/64/20/60/648642060.db2.gz YISNNKMYNLWLMJ-MJBXVCDLSA-N 1 0 305.374 2.246 20 10 DECDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000825005329 648683866 /nfs/dbraw/zinc/68/38/66/648683866.db2.gz HKDJRBHIKSZWCE-ZDUSSCGKSA-N 1 0 323.393 2.225 20 10 DECDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000825079179 648699418 /nfs/dbraw/zinc/69/94/18/648699418.db2.gz MYWVKPZTSOYEHQ-UHFFFAOYSA-N 1 0 301.390 2.363 20 10 DECDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825278917 648735890 /nfs/dbraw/zinc/73/58/90/648735890.db2.gz LEIVQNPWRBQMGO-CVEARBPZSA-N 1 0 301.434 2.421 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2CCS(=O)(=O)CC2)cc1Cl ZINC000825390555 648752946 /nfs/dbraw/zinc/75/29/46/648752946.db2.gz IFVILOGATMOVSX-UHFFFAOYSA-N 1 0 317.838 2.268 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1Cl ZINC000825489685 648769708 /nfs/dbraw/zinc/76/97/08/648769708.db2.gz NALGFANOYXJXHJ-GFCCVEGCSA-N 1 0 317.838 2.411 20 10 DECDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000825555355 648780049 /nfs/dbraw/zinc/78/00/49/648780049.db2.gz HHYHNQHTGRUOIF-GFCCVEGCSA-N 1 0 323.194 2.193 20 10 DECDRO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCNC1=O ZINC000825774558 648811178 /nfs/dbraw/zinc/81/11/78/648811178.db2.gz YJDFKDDZBYAMKY-OAHLLOKOSA-N 1 0 320.433 2.409 20 10 DECDRO C/C(=C/C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21)c1cnccn1 ZINC000825805633 648813309 /nfs/dbraw/zinc/81/33/09/648813309.db2.gz KYBJFVSJSDLCQQ-SCOADAFUSA-N 1 0 322.412 2.399 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1Cl ZINC000826534924 648873906 /nfs/dbraw/zinc/87/39/06/648873906.db2.gz MZGPVLHXDVFARW-NSHDSACASA-N 1 0 306.797 2.130 20 10 DECDRO CCc1cccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000826827673 648932182 /nfs/dbraw/zinc/93/21/82/648932182.db2.gz DOIDRDHDYYFSOZ-UHFFFAOYSA-N 1 0 311.447 2.259 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(Cl)c1 ZINC000826852001 648937271 /nfs/dbraw/zinc/93/72/71/648937271.db2.gz JOPXNOZOSVBRCG-GFCCVEGCSA-N 1 0 306.797 2.468 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1Cl ZINC000827164761 648984556 /nfs/dbraw/zinc/98/45/56/648984556.db2.gz MOVDWAKBXKZISF-JQWIXIFHSA-N 1 0 317.838 2.409 20 10 DECDRO COC1CCN(c2ccc(C[NH2+][C@H](CO)C3CC3)cc2)CC1 ZINC000828829713 649229192 /nfs/dbraw/zinc/22/91/92/649229192.db2.gz WTDPSUSVPIVPSU-GOSISDBHSA-N 1 0 304.434 2.162 20 10 DECDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000829004046 649258511 /nfs/dbraw/zinc/25/85/11/649258511.db2.gz YLPXLECEJZJZLF-JKSUJKDBSA-N 1 0 318.417 2.027 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000184885809 649403982 /nfs/dbraw/zinc/40/39/82/649403982.db2.gz DFEIRZJLGCEXNF-GOEBONIOSA-N 1 0 322.449 2.408 20 10 DECDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021805 649423803 /nfs/dbraw/zinc/42/38/03/649423803.db2.gz WXXRTGHQWYFKMG-KBPBESRZSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000733330818 649546338 /nfs/dbraw/zinc/54/63/38/649546338.db2.gz OTOGKXSVCUFWAY-LJQANCHMSA-N 1 0 317.477 2.486 20 10 DECDRO CC(C)CCO[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279901 649691907 /nfs/dbraw/zinc/69/19/07/649691907.db2.gz MNOOCKKUVNLAEH-PBHICJAKSA-N 1 0 321.465 2.320 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Cl)ccn2)cc1 ZINC000832293624 649693137 /nfs/dbraw/zinc/69/31/37/649693137.db2.gz ZBCGFEOBUYILSW-CQSZACIVSA-N 1 0 318.808 2.231 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000844183932 651087803 /nfs/dbraw/zinc/08/78/03/651087803.db2.gz RPPSQEWDMHGLPU-IYBDPMFKSA-N 1 0 301.434 2.276 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@](C)(O)C(F)(F)F)cc1 ZINC000844402243 651123291 /nfs/dbraw/zinc/12/32/91/651123291.db2.gz QTLJGBAIMMVWEV-AWEZNQCLSA-N 1 0 320.355 2.377 20 10 DECDRO CN(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000846055456 651304899 /nfs/dbraw/zinc/30/48/99/651304899.db2.gz MHRWARNTSHPSPC-UHFFFAOYSA-N 1 0 311.813 2.281 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCCN2CCCCC2=O)c1O ZINC000846147827 651310967 /nfs/dbraw/zinc/31/09/67/651310967.db2.gz WTOZKILEKGANJC-ZDUSSCGKSA-N 1 0 306.406 2.454 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000846163834 651312155 /nfs/dbraw/zinc/31/21/55/651312155.db2.gz LTDGEVKSOLLJHQ-LBPRGKRZSA-N 1 0 315.435 2.266 20 10 DECDRO C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000846161325 651312209 /nfs/dbraw/zinc/31/22/09/651312209.db2.gz XUPBOXHFUVAKCR-CYBMUJFWSA-N 1 0 304.438 2.242 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000846167632 651312478 /nfs/dbraw/zinc/31/24/78/651312478.db2.gz MGYNZKQHUDNAAZ-GXTWGEPZSA-N 1 0 306.406 2.310 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172365 651312926 /nfs/dbraw/zinc/31/29/26/651312926.db2.gz LPRIDGXNZIHPAW-DGCLKSJQSA-N 1 0 306.406 2.451 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846191928 651314533 /nfs/dbraw/zinc/31/45/33/651314533.db2.gz VJRFMNSOYVAHFS-UHFFFAOYSA-N 1 0 305.422 2.443 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846676880 651344870 /nfs/dbraw/zinc/34/48/70/651344870.db2.gz KCWSOJCUFUQYPG-DLBZAZTESA-N 1 0 314.429 2.418 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCN3CCCC[C@@H]13)OCO2 ZINC000848574944 651473667 /nfs/dbraw/zinc/47/36/67/651473667.db2.gz JLQVFFNAGVMVMF-KGLIPLIRSA-N 1 0 304.390 2.227 20 10 DECDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C1=CC(=O)CS1 ZINC000854488187 651488190 /nfs/dbraw/zinc/48/81/90/651488190.db2.gz UEVAJQJVXNPKKY-UHFFFAOYSA-N 1 0 319.430 2.443 20 10 DECDRO CCc1cccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000848880000 651542704 /nfs/dbraw/zinc/54/27/04/651542704.db2.gz KQWCQSFHEVUSCR-QGZVFWFLSA-N 1 0 304.434 2.251 20 10 DECDRO CCc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1O ZINC000848898923 651551302 /nfs/dbraw/zinc/55/13/02/651551302.db2.gz AFVZCLUYXNCPQW-GFCCVEGCSA-N 1 0 302.374 2.342 20 10 DECDRO CCc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000848904089 651553932 /nfs/dbraw/zinc/55/39/32/651553932.db2.gz KILKMVLJMGSKRN-UHFFFAOYSA-N 1 0 300.406 2.458 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000848913658 651558870 /nfs/dbraw/zinc/55/88/70/651558870.db2.gz ASQZJCNVBDZGOH-OAHLLOKOSA-N 1 0 311.447 2.354 20 10 DECDRO CCc1cccc(CN2CC[NH+](C(C)(C)COC)CC2)c1O ZINC000848918271 651561171 /nfs/dbraw/zinc/56/11/71/651561171.db2.gz UNUWFNDOKIYAJT-UHFFFAOYSA-N 1 0 306.450 2.497 20 10 DECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000850072983 651820061 /nfs/dbraw/zinc/82/00/61/651820061.db2.gz SOHFTDROQSHHEW-GDBMZVCRSA-N 1 0 322.424 2.444 20 10 DECDRO COc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850324982 651898344 /nfs/dbraw/zinc/89/83/44/651898344.db2.gz PEGPWFZWIZRXBF-UHFFFAOYSA-N 1 0 320.433 2.409 20 10 DECDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850353446 651909031 /nfs/dbraw/zinc/90/90/31/651909031.db2.gz DAFSSIBPNFXHRY-OIISXLGYSA-N 1 0 305.418 2.277 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000850353327 651909390 /nfs/dbraw/zinc/90/93/90/651909390.db2.gz AIVHPEXVBFKNKN-FRFSOERESA-N 1 0 323.433 2.447 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367688 651912354 /nfs/dbraw/zinc/91/23/54/651912354.db2.gz OUTGIFBQHYYZNH-INIZCTEOSA-N 1 0 302.418 2.324 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)c(C(F)(F)F)c1 ZINC000850389082 651917655 /nfs/dbraw/zinc/91/76/55/651917655.db2.gz RZKDYXTUSWYCQS-NSHDSACASA-N 1 0 315.339 2.140 20 10 DECDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(O)c1 ZINC000850400254 651920845 /nfs/dbraw/zinc/92/08/45/651920845.db2.gz CQWCUFQSSQRFBJ-GOSISDBHSA-N 1 0 323.433 2.448 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000850488217 651937606 /nfs/dbraw/zinc/93/76/06/651937606.db2.gz RBJPKUKPOAIQIC-INIZCTEOSA-N 1 0 315.461 2.490 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000850488221 651937997 /nfs/dbraw/zinc/93/79/97/651937997.db2.gz RBJPKUKPOAIQIC-MRXNPFEDSA-N 1 0 315.461 2.490 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CN(C4CC4)C[C@@H]3C)C2)cc1 ZINC000850489152 651938591 /nfs/dbraw/zinc/93/85/91/651938591.db2.gz RHZOPUATOTYWAP-DOXZYTNZSA-N 1 0 315.461 2.346 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cnn(C)c3)C2)cc1 ZINC000850489391 651938826 /nfs/dbraw/zinc/93/88/26/651938826.db2.gz SUOBTOBZMIVTBH-HIFRSBDPSA-N 1 0 300.406 2.358 20 10 DECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850500298 651940766 /nfs/dbraw/zinc/94/07/66/651940766.db2.gz FSERDYPQGFNBJU-KBPBESRZSA-N 1 0 311.445 2.454 20 10 DECDRO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccccc1O ZINC000850560485 651953716 /nfs/dbraw/zinc/95/37/16/651953716.db2.gz FJLFRWFYKGEYJG-ZIAGYGMSSA-N 1 0 303.406 2.333 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2nccnc2C)cc1 ZINC000857049195 652039951 /nfs/dbraw/zinc/03/99/51/652039951.db2.gz GPFUFZUGGXFDAJ-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH2+]C)cc1F ZINC000851656546 652200177 /nfs/dbraw/zinc/20/01/77/652200177.db2.gz MYGJFAIRUZJENA-GFCCVEGCSA-N 1 0 310.417 2.079 20 10 DECDRO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000858106994 652256077 /nfs/dbraw/zinc/25/60/77/652256077.db2.gz WSPPJIABHLNAIV-UHFFFAOYSA-N 1 0 301.365 2.347 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1F ZINC000858341825 652312423 /nfs/dbraw/zinc/31/24/23/652312423.db2.gz GHMWSDUFNXCSRE-HNNXBMFYSA-N 1 0 305.397 2.135 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)cc1 ZINC000858434661 652335415 /nfs/dbraw/zinc/33/54/15/652335415.db2.gz MJJVRGPYGOJHOY-CJNGLKHVSA-N 1 0 302.422 2.260 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000852412589 652397891 /nfs/dbraw/zinc/39/78/91/652397891.db2.gz WKILMWDNILZGFJ-MRXNPFEDSA-N 1 0 318.465 2.425 20 10 DECDRO CN(C)c1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000852762420 652452411 /nfs/dbraw/zinc/45/24/11/652452411.db2.gz NANWSZCTSIAUNS-GOSISDBHSA-N 1 0 305.466 2.295 20 10 DECDRO Cc1ccoc1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792038 652457988 /nfs/dbraw/zinc/45/79/88/652457988.db2.gz PMVNWGDBRIPLKD-HNNXBMFYSA-N 1 0 301.390 2.013 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852870282 652473179 /nfs/dbraw/zinc/47/31/79/652473179.db2.gz BZYHIJCMDBTUGQ-UHFFFAOYSA-N 1 0 301.434 2.352 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000852883130 652474774 /nfs/dbraw/zinc/47/47/74/652474774.db2.gz BFNJKXSSWKWMKL-LLVKDONJSA-N 1 0 304.390 2.253 20 10 DECDRO C[C@@H]([NH2+]CCOCCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000853238146 652528071 /nfs/dbraw/zinc/52/80/71/652528071.db2.gz ALALTNZLZSIOSI-CYBMUJFWSA-N 1 0 314.376 2.299 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cn3ccnn3)C1)CCCC2 ZINC000853525800 652562543 /nfs/dbraw/zinc/56/25/43/652562543.db2.gz SYYATFDELWBDBF-CQSZACIVSA-N 1 0 312.417 2.385 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853524081 652562551 /nfs/dbraw/zinc/56/25/51/652562551.db2.gz XJSALBLKJHSGJZ-ZDUSSCGKSA-N 1 0 309.373 2.054 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]2N1 ZINC000853555170 652567867 /nfs/dbraw/zinc/56/78/67/652567867.db2.gz HCIBYQFCSZVCFF-CJNGLKHVSA-N 1 0 311.385 2.041 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1O ZINC000854315481 652676401 /nfs/dbraw/zinc/67/64/01/652676401.db2.gz WGLLNMYNEJFSEX-CYBMUJFWSA-N 1 0 321.421 2.073 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000305120592 685276445 /nfs/dbraw/zinc/27/64/45/685276445.db2.gz JMQNFSCUMKRNPX-KRWDZBQOSA-N 1 0 322.424 2.301 20 10 DECDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000386057027 685415699 /nfs/dbraw/zinc/41/56/99/685415699.db2.gz GMQJBEMJYJRTKL-UHFFFAOYSA-N 1 0 304.434 2.308 20 10 DECDRO OCCn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000391863004 685447328 /nfs/dbraw/zinc/44/73/28/685447328.db2.gz UBNOWCGQJLKAEG-GJZGRUSLSA-N 1 0 313.401 2.236 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000858517356 685553158 /nfs/dbraw/zinc/55/31/58/685553158.db2.gz GTMIZTKEAJPTEK-GOOCMWNKSA-N 1 0 303.406 2.125 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000928457436 693785644 /nfs/dbraw/zinc/78/56/44/693785644.db2.gz XEXWXBXWFBACIS-GDBMZVCRSA-N 1 0 312.417 2.312 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000121219265 684107014 /nfs/dbraw/zinc/10/70/14/684107014.db2.gz NJFAXAVPFGUQTC-NSHDSACASA-N 1 0 300.358 2.351 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C(N)=O)CCCCC2)c1O ZINC000123054584 684121609 /nfs/dbraw/zinc/12/16/09/684121609.db2.gz IGVAAYVCBLWWAO-UHFFFAOYSA-N 1 0 308.353 2.012 20 10 DECDRO COc1ccc(O)c(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000126838417 684157803 /nfs/dbraw/zinc/15/78/03/684157803.db2.gz NLEMPDMQGNBXEZ-UHFFFAOYSA-N 1 0 308.378 2.110 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000128124735 684168581 /nfs/dbraw/zinc/16/85/81/684168581.db2.gz XKSLLJPYGUJLSO-ZDUSSCGKSA-N 1 0 301.390 2.313 20 10 DECDRO CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000131121079 684196872 /nfs/dbraw/zinc/19/68/72/684196872.db2.gz UTPRZAOIDAUQHM-UHFFFAOYSA-N 1 0 308.397 2.321 20 10 DECDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159058461 684308672 /nfs/dbraw/zinc/30/86/72/684308672.db2.gz KQKMFHHBWCMPNI-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000245823847 685118775 /nfs/dbraw/zinc/11/87/75/685118775.db2.gz NIOZQEUUTPVSAM-CHWSQXEVSA-N 1 0 323.437 2.491 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000861562167 686145940 /nfs/dbraw/zinc/14/59/40/686145940.db2.gz UHZZAVRHENHNBD-XJKSGUPXSA-N 1 0 304.438 2.082 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861583439 686150051 /nfs/dbraw/zinc/15/00/51/686150051.db2.gz UXIDYZOFKSDOSH-MRXNPFEDSA-N 1 0 316.449 2.145 20 10 DECDRO C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861684606 686169593 /nfs/dbraw/zinc/16/95/93/686169593.db2.gz GSVHVRSXBMFNGL-UKRRQHHQSA-N 1 0 304.438 2.035 20 10 DECDRO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000862026217 686225145 /nfs/dbraw/zinc/22/51/45/686225145.db2.gz IVMFBXCEGGKMNB-HNNXBMFYSA-N 1 0 311.385 2.183 20 10 DECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862250275 686266313 /nfs/dbraw/zinc/26/63/13/686266313.db2.gz MDXNMDCHQDICRJ-INIZCTEOSA-N 1 0 312.360 2.416 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1F ZINC000862413548 686296281 /nfs/dbraw/zinc/29/62/81/686296281.db2.gz RAZMKODLFZOBBU-XHDPSFHLSA-N 1 0 323.387 2.131 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862428439 686300731 /nfs/dbraw/zinc/30/07/31/686300731.db2.gz QIFZNLHKTRUULL-FUTAKVPZSA-N 1 0 301.434 2.318 20 10 DECDRO CCON(CC)C(=O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000862451835 686304544 /nfs/dbraw/zinc/30/45/44/686304544.db2.gz HMAUWALOUMLWMC-UHFFFAOYSA-N 1 0 300.786 2.244 20 10 DECDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863545161 686518927 /nfs/dbraw/zinc/51/89/27/686518927.db2.gz JQBBTHAQHFYOGM-IJEWVQPXSA-N 1 0 321.440 2.453 20 10 DECDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000930212171 694113503 /nfs/dbraw/zinc/11/35/03/694113503.db2.gz ZEMPNUMZVFQTIO-ZDUSSCGKSA-N 1 0 316.405 2.108 20 10 DECDRO CC[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 ZINC000866493807 687589998 /nfs/dbraw/zinc/58/99/98/687589998.db2.gz AHGXKOUWXKYBIZ-KRWDZBQOSA-N 1 0 311.433 2.472 20 10 DECDRO NC(=O)c1ccc(CCN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000866659354 687643079 /nfs/dbraw/zinc/64/30/79/687643079.db2.gz KWQUYDDPNGMNNM-UHFFFAOYSA-N 1 0 309.413 2.240 20 10 DECDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1O ZINC000868167432 687932714 /nfs/dbraw/zinc/93/27/14/687932714.db2.gz QIMDUZVDAMJJCR-KWQFWETISA-N 1 0 305.300 2.032 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868355887 687988474 /nfs/dbraw/zinc/98/84/74/687988474.db2.gz SMBZINNPGMDHEO-QWHCGFSZSA-N 1 0 303.406 2.237 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001020134886 688471531 /nfs/dbraw/zinc/47/15/31/688471531.db2.gz GAYLVGXCZXLCOO-MGPQQGTHSA-N 1 0 324.371 2.396 20 10 DECDRO OCC1([N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)CCC1 ZINC000930693111 694219920 /nfs/dbraw/zinc/21/99/20/694219920.db2.gz YXBDCHBPOQIOFX-UHFFFAOYSA-N 1 0 316.445 2.403 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1F ZINC000870883752 688677472 /nfs/dbraw/zinc/67/74/72/688677472.db2.gz HWHUWLXTZRTSKL-GLJUWKHASA-N 1 0 319.424 2.416 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCNC(=O)CC2)cc1F ZINC000873048076 689148096 /nfs/dbraw/zinc/14/80/96/689148096.db2.gz OJRBXOBXSSXGTJ-CQSZACIVSA-N 1 0 307.413 2.430 20 10 DECDRO COc1cccc(O)c1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873158480 689173177 /nfs/dbraw/zinc/17/31/77/689173177.db2.gz XSFHQJXACHQBJK-UHFFFAOYSA-N 1 0 315.295 2.406 20 10 DECDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874363461 689394150 /nfs/dbraw/zinc/39/41/50/689394150.db2.gz UBUBSDCDMQRUSV-UHFFFAOYSA-N 1 0 317.393 2.263 20 10 DECDRO CCC[C@H](OCC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505907 689841826 /nfs/dbraw/zinc/84/18/26/689841826.db2.gz CKWMPCSAINWZPY-CVEARBPZSA-N 1 0 307.438 2.074 20 10 DECDRO C[C@@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)O1 ZINC000876512554 689843567 /nfs/dbraw/zinc/84/35/67/689843567.db2.gz RSNIGJVZXFDMMX-HUUCEWRRSA-N 1 0 304.434 2.257 20 10 DECDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876565664 689859171 /nfs/dbraw/zinc/85/91/71/689859171.db2.gz YNWIVZJQLDUMOL-UHFFFAOYSA-N 1 0 317.477 2.174 20 10 DECDRO Cc1cc(C[NH3+])oc1C(=O)NCCCSc1nccs1 ZINC000876663256 689893429 /nfs/dbraw/zinc/89/34/29/689893429.db2.gz ZHRKBWKFHXQWMM-UHFFFAOYSA-N 1 0 311.432 2.415 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C(F)F)cc1C ZINC001034836954 689957732 /nfs/dbraw/zinc/95/77/32/689957732.db2.gz SQEBQFRQWVVWOU-CYBMUJFWSA-N 1 0 312.360 2.349 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876873689 689960795 /nfs/dbraw/zinc/96/07/95/689960795.db2.gz OCIKTGYFDODXMG-CVEARBPZSA-N 1 0 303.450 2.475 20 10 DECDRO COCCOc1ncccc1C[NH2+]Cc1c(C)cccc1O ZINC000876936654 689977004 /nfs/dbraw/zinc/97/70/04/689977004.db2.gz XMPPDNQVLPHTDO-UHFFFAOYSA-N 1 0 302.374 2.411 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(O)c1 ZINC000877095570 690017251 /nfs/dbraw/zinc/01/72/51/690017251.db2.gz RLKCFQQWAYBLRB-UHFFFAOYSA-N 1 0 317.410 2.320 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(O)c1 ZINC000877110859 690020424 /nfs/dbraw/zinc/02/04/24/690020424.db2.gz FEJVTWJBPJZIRU-DLBZAZTESA-N 1 0 304.434 2.434 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(O)c1 ZINC000877126166 690024547 /nfs/dbraw/zinc/02/45/47/690024547.db2.gz FWZWLMRYCORMAN-AEFFLSMTSA-N 1 0 301.386 2.275 20 10 DECDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877154680 690032204 /nfs/dbraw/zinc/03/22/04/690032204.db2.gz WXJHOYLECZCHPR-INIZCTEOSA-N 1 0 317.477 2.079 20 10 DECDRO OCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877159322 690033870 /nfs/dbraw/zinc/03/38/70/690033870.db2.gz VVYIOCNNKPUCHK-UHFFFAOYSA-N 1 0 304.434 2.042 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)n1-c1ccc(F)cc1 ZINC000877165638 690035794 /nfs/dbraw/zinc/03/57/94/690035794.db2.gz OOSNFBBGQVQBBO-HOCLYGCPSA-N 1 0 313.376 2.420 20 10 DECDRO CCCn1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000877342148 690081586 /nfs/dbraw/zinc/08/15/86/690081586.db2.gz JVLKKSQLBQASBO-UHFFFAOYSA-N 1 0 317.437 2.265 20 10 DECDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877592816 690161496 /nfs/dbraw/zinc/16/14/96/690161496.db2.gz UNWGQLLJWAHFOO-DOTOQJQBSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000877636085 690174729 /nfs/dbraw/zinc/17/47/29/690174729.db2.gz MQMGXTIPUCEBGZ-QZTJIDSGSA-N 1 0 316.445 2.434 20 10 DECDRO C[C@@]12C[NH+](Cc3ccc4ccccc4c3O)C[C@@]1(C)C(=O)NC2=O ZINC000877667694 690184193 /nfs/dbraw/zinc/18/41/93/690184193.db2.gz JDTVAQKZZOMEIL-OALUTQOASA-N 1 0 324.380 2.030 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c(O)c1 ZINC000877674569 690186333 /nfs/dbraw/zinc/18/63/33/690186333.db2.gz MLCGLMAQZGEDLW-OAHLLOKOSA-N 1 0 306.406 2.282 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000877675873 690187356 /nfs/dbraw/zinc/18/73/56/690187356.db2.gz VFLYZSOYZZVDHU-NSHDSACASA-N 1 0 304.247 2.016 20 10 DECDRO COc1ccc(O)c(CNc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000877686838 690191555 /nfs/dbraw/zinc/19/15/55/690191555.db2.gz ZQUMVADACSETNY-UHFFFAOYSA-N 1 0 316.405 2.476 20 10 DECDRO COC(=O)c1coc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000877699796 690196547 /nfs/dbraw/zinc/19/65/47/690196547.db2.gz VGRJPWCEIYNVPN-UHFFFAOYSA-N 1 0 321.329 2.079 20 10 DECDRO COC(=O)C1CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC000877723039 690204557 /nfs/dbraw/zinc/20/45/57/690204557.db2.gz DQDXBKUYUWSUAW-UHFFFAOYSA-N 1 0 314.179 2.196 20 10 DECDRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877757410 690217424 /nfs/dbraw/zinc/21/74/24/690217424.db2.gz YXDXCDIWYJQVDI-NSHDSACASA-N 1 0 303.362 2.153 20 10 DECDRO Cc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000877808759 690237161 /nfs/dbraw/zinc/23/71/61/690237161.db2.gz VDHUJYQCSOOWOR-LQDVMPOASA-N 1 0 309.431 2.146 20 10 DECDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000878455034 690412616 /nfs/dbraw/zinc/41/26/16/690412616.db2.gz NIHQKGBLZSOEGQ-LLVKDONJSA-N 1 0 303.366 2.245 20 10 DECDRO Cc1cc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)ccc1N(C)C ZINC000879043590 690556071 /nfs/dbraw/zinc/55/60/71/690556071.db2.gz IXTQKWAZVZXGMC-MRXNPFEDSA-N 1 0 307.413 2.096 20 10 DECDRO CC(C)CCOCCNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651834 690699164 /nfs/dbraw/zinc/69/91/64/690699164.db2.gz LZCXHHZVCKWQRX-AWEZNQCLSA-N 1 0 308.422 2.222 20 10 DECDRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1O ZINC000879649645 690699300 /nfs/dbraw/zinc/69/93/00/690699300.db2.gz APNAAPJXDZEMLU-VIFPVBQESA-N 1 0 311.183 2.097 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1O ZINC000880129749 690808973 /nfs/dbraw/zinc/80/89/73/690808973.db2.gz AIEZMPPJDNQSQT-CVEARBPZSA-N 1 0 306.381 2.402 20 10 DECDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000881853103 691173818 /nfs/dbraw/zinc/17/38/18/691173818.db2.gz JIEASDMKQSOMCC-HNNXBMFYSA-N 1 0 315.461 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2)CC1 ZINC000881852367 691173871 /nfs/dbraw/zinc/17/38/71/691173871.db2.gz NRGJKUBTGKTYOZ-INIZCTEOSA-N 1 0 301.434 2.101 20 10 DECDRO C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881852213 691173942 /nfs/dbraw/zinc/17/39/42/691173942.db2.gz ZCFPKMPNWNPCJR-OAHLLOKOSA-N 1 0 315.461 2.491 20 10 DECDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000883140878 691439318 /nfs/dbraw/zinc/43/93/18/691439318.db2.gz HVRNNYPTAFPWBN-KRWDZBQOSA-N 1 0 316.449 2.180 20 10 DECDRO CC[NH+](CC)CC[C@@H](CO)NCc1c(O)cccc1Cl ZINC000883161594 691445015 /nfs/dbraw/zinc/44/50/15/691445015.db2.gz VYXAUMXDURKSJD-LBPRGKRZSA-N 1 0 300.830 2.228 20 10 DECDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000883358350 691487657 /nfs/dbraw/zinc/48/76/57/691487657.db2.gz JDNDACGFKRVKHA-KRWDZBQOSA-N 1 0 314.433 2.124 20 10 DECDRO C[NH2+]CCOc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000884091652 691652401 /nfs/dbraw/zinc/65/24/01/691652401.db2.gz FAMHBLVKBUMOQV-UHFFFAOYSA-N 1 0 314.385 2.263 20 10 DECDRO Cc1n[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1C ZINC000885938164 691966597 /nfs/dbraw/zinc/96/65/97/691966597.db2.gz UIXNKAXOWIYLTH-UHFFFAOYSA-N 1 0 300.406 2.153 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1O ZINC000886341028 692061476 /nfs/dbraw/zinc/06/14/76/692061476.db2.gz OMRWFTALVTTWPQ-VAGZCVSGSA-N 1 0 321.417 2.463 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)c(O)c1 ZINC000886359400 692065650 /nfs/dbraw/zinc/06/56/50/692065650.db2.gz BNLHMNXOYUWAOI-ZBFHGGJFSA-N 1 0 309.406 2.322 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c([O-])cccc1F ZINC000886526209 692102116 /nfs/dbraw/zinc/10/21/16/692102116.db2.gz HMRIUWVNBTXBBL-UONOGXRCSA-N 1 0 321.440 2.350 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C3CC3)CCC2)cc1 ZINC000887147551 692292317 /nfs/dbraw/zinc/29/23/17/692292317.db2.gz RDIFUACQKRYCQF-UHFFFAOYSA-N 1 0 301.434 2.291 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(O)c1OC ZINC000894568846 692986634 /nfs/dbraw/zinc/98/66/34/692986634.db2.gz ODQXUTVZSZGYOI-CYBMUJFWSA-N 1 0 303.362 2.053 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cnnn3C)C2)cc1 ZINC000926613045 693478911 /nfs/dbraw/zinc/47/89/11/693478911.db2.gz RPRUXORKNVIIKA-ZIAGYGMSSA-N 1 0 315.421 2.001 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2O ZINC000926947677 693533724 /nfs/dbraw/zinc/53/37/24/693533724.db2.gz KMXLQLBNRZZSAD-FHEMJXCISA-N 1 0 307.365 2.473 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)cc1 ZINC000927131127 693558291 /nfs/dbraw/zinc/55/82/91/693558291.db2.gz HTPGUQBWORPQDH-CXAGYDPISA-N 1 0 302.422 2.260 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2O ZINC000927148553 693560855 /nfs/dbraw/zinc/56/08/55/693560855.db2.gz WRALAUKPOCTOIM-NRUUGDAUSA-N 1 0 316.380 2.355 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCCNc2cccc(C)n2)c1 ZINC000927493354 693616725 /nfs/dbraw/zinc/61/67/25/693616725.db2.gz KSKYVDQVYJVZIC-UHFFFAOYSA-N 1 0 314.389 2.315 20 10 DECDRO COC(=O)C1(C2(O)CC[NH+](Cc3ccccc3O)CC2)CCC1 ZINC001335133035 1150378165 /nfs/dbraw/zinc/37/81/65/1150378165.db2.gz BXWPDPHIILCINK-UHFFFAOYSA-N 1 0 319.401 2.062 20 10 DECDRO Cc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c(O)c1O ZINC001343576748 1150754067 /nfs/dbraw/zinc/75/40/67/1150754067.db2.gz NHGZVUQIOPNMMC-UHFFFAOYSA-N 1 0 306.406 2.258 20 10 DECDRO O[C@]1(C2CC2)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001343994837 1150790597 /nfs/dbraw/zinc/79/05/97/1150790597.db2.gz QXIAGOXIBIUULR-GOSISDBHSA-N 1 0 320.408 2.009 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC001345104154 1150865055 /nfs/dbraw/zinc/86/50/55/1150865055.db2.gz KBPZODVGMLQNRE-KRWDZBQOSA-N 1 0 309.417 2.419 20 10 DECDRO COc1nc(Cl)c(CN2CCCc3cc(C[NH3+])ccc32)n1C ZINC001349319286 1151241463 /nfs/dbraw/zinc/24/14/63/1151241463.db2.gz NBLCMPSMYMNDNY-UHFFFAOYSA-N 1 0 320.824 2.494 20 10 DECDRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001350299746 1151342413 /nfs/dbraw/zinc/34/24/13/1151342413.db2.gz HZAQZLGBRVFCQA-MRXNPFEDSA-N 1 0 314.385 2.407 20 10 DECDRO CN1C[C@@H](CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001354176072 1151875633 /nfs/dbraw/zinc/87/56/33/1151875633.db2.gz XGMULIKSVKEWEN-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001447965018 1184981447 /nfs/dbraw/zinc/98/14/47/1184981447.db2.gz DIHWYVGAMOFWFU-UKRRQHHQSA-N 1 0 307.413 2.364 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)[C@H]2C1 ZINC001347235570 1151050529 /nfs/dbraw/zinc/05/05/29/1151050529.db2.gz ZPONGTCIHBCHLD-BPNCWPANSA-N 1 0 323.824 2.185 20 10 DECDRO Cc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C ZINC001167436851 777041983 /nfs/dbraw/zinc/04/19/83/777041983.db2.gz CSARDZDTPBTTMO-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO CC1CC[NH+](CCCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588405400 777080273 /nfs/dbraw/zinc/08/02/73/777080273.db2.gz IYUPIUZVWSKPJA-XQRVVYSFSA-N 1 0 318.417 2.349 20 10 DECDRO CCc1nc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001126051307 778501959 /nfs/dbraw/zinc/50/19/59/778501959.db2.gz YHFFLWDGUOBOHZ-UHFFFAOYSA-N 1 0 317.389 2.074 20 10 DECDRO Oc1cc(O)c(CN2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001144499796 790934767 /nfs/dbraw/zinc/93/47/67/790934767.db2.gz JKWZWNFYWAOBDK-UHFFFAOYSA-N 1 0 306.406 2.254 20 10 DECDRO Cn1nnc2cc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)ccc21 ZINC001144643444 790984815 /nfs/dbraw/zinc/98/48/15/790984815.db2.gz QURIOGAXBZWEOK-UHFFFAOYSA-N 1 0 324.384 2.328 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994914 784296273 /nfs/dbraw/zinc/29/62/73/784296273.db2.gz YLRNGOSPCUVYIP-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169009964 785001813 /nfs/dbraw/zinc/00/18/13/785001813.db2.gz YVZSGZXDPDQQCM-ZBFHGGJFSA-N 1 0 319.405 2.263 20 10 DECDRO CC(C)[NH2+]C1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001091385591 791127375 /nfs/dbraw/zinc/12/73/75/791127375.db2.gz LUYILLGNDRMUQL-UHFFFAOYSA-N 1 0 317.393 2.355 20 10 DECDRO Cc1c(C[NH2+]Cc2ccc(Br)cc2O)cnn1C ZINC000691464520 785901974 /nfs/dbraw/zinc/90/19/74/785901974.db2.gz SOTXCIBERBTMMQ-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](CC(C)C)OC)cc1C ZINC001133454789 788436736 /nfs/dbraw/zinc/43/67/36/788436736.db2.gz SHDFMFYVTUQYSQ-KRWDZBQOSA-N 1 0 322.449 2.271 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C2(C)CCOCC2)cc1C ZINC001135360674 789301576 /nfs/dbraw/zinc/30/15/76/789301576.db2.gz YFDFYTPTHYOHAL-UHFFFAOYSA-N 1 0 320.433 2.026 20 10 DECDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103198 790053087 /nfs/dbraw/zinc/05/30/87/790053087.db2.gz VIBFMKUMSCGWOQ-FZMZJTMJSA-N 1 0 317.393 2.452 20 10 DECDRO CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663959 791328345 /nfs/dbraw/zinc/32/83/45/791328345.db2.gz PFLHSZNLPUSFHH-MNOVXSKESA-N 1 0 305.382 2.355 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2Cc3cccc(F)c3C2)cc1O ZINC001171769996 793200118 /nfs/dbraw/zinc/20/01/18/793200118.db2.gz XHSJONVYDHWMOE-SJKOYZFVSA-N 1 0 303.333 2.027 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)C2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001172140347 793327557 /nfs/dbraw/zinc/32/75/57/793327557.db2.gz HKUWCRRSILKRAJ-AYHJJNSGSA-N 1 0 303.450 2.046 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC001172181956 793365021 /nfs/dbraw/zinc/36/50/21/793365021.db2.gz JALYNYUZWGXBGE-IRXDYDNUSA-N 1 0 301.434 2.338 20 10 DECDRO O=C(NCC[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccco1 ZINC001177176203 794602741 /nfs/dbraw/zinc/60/27/41/794602741.db2.gz WYGMSDBPQIKUMB-UHFFFAOYSA-N 1 0 313.401 2.399 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001116166892 794942227 /nfs/dbraw/zinc/94/22/27/794942227.db2.gz ZXAUUYWNCPPZTO-GOSISDBHSA-N 1 0 323.456 2.338 20 10 DECDRO C[C@H](CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001116762717 794983971 /nfs/dbraw/zinc/98/39/71/794983971.db2.gz WHCIIVVWYJWGBI-OAHLLOKOSA-N 1 0 319.449 2.029 20 10 DECDRO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116770974 794985226 /nfs/dbraw/zinc/98/52/26/794985226.db2.gz MLDUPAGAXNEHMW-GOSISDBHSA-N 1 0 313.445 2.484 20 10 DECDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001118286486 795172986 /nfs/dbraw/zinc/17/29/86/795172986.db2.gz GCJSXPRSKHNUKM-DLBZAZTESA-N 1 0 301.434 2.421 20 10 DECDRO C[C@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+](C)C ZINC001118591339 795203151 /nfs/dbraw/zinc/20/31/51/795203151.db2.gz BNRYQIOJUOGEHJ-CQSZACIVSA-N 1 0 318.465 2.208 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC001180129904 795238540 /nfs/dbraw/zinc/23/85/40/795238540.db2.gz MEWOYRKMAWBFTJ-VGMNTSGFSA-N 1 0 301.434 2.366 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)C(C)(C)C)c1O ZINC001119446289 795301992 /nfs/dbraw/zinc/30/19/92/795301992.db2.gz XCFWPXBOLICVDH-UHFFFAOYSA-N 1 0 315.435 2.012 20 10 DECDRO Nc1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC001120268193 795431693 /nfs/dbraw/zinc/43/16/93/795431693.db2.gz BQPJKAZRBQBGGD-UHFFFAOYSA-N 1 0 311.311 2.279 20 10 DECDRO CC[C@@H](C)[NH+]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001121273645 795610681 /nfs/dbraw/zinc/61/06/81/795610681.db2.gz HXKACXYVNXBIIJ-LLVKDONJSA-N 1 0 321.450 2.170 20 10 DECDRO OCCC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215798 796184148 /nfs/dbraw/zinc/18/41/48/796184148.db2.gz VTDJYJNHKJORQT-UHFFFAOYSA-N 1 0 317.477 2.177 20 10 DECDRO Oc1c(C[N@H+]2CCCC[C@@H](O)C2)cc2c3c1CCCN3CCC2 ZINC001138338380 796198430 /nfs/dbraw/zinc/19/84/30/796198430.db2.gz QFAXAAOSQAEECP-MRXNPFEDSA-N 1 0 316.445 2.438 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(CNC(=O)C4)CC3)ccc21 ZINC001138354693 796204455 /nfs/dbraw/zinc/20/44/55/796204455.db2.gz QJUYVMNOTTYAAQ-UHFFFAOYSA-N 1 0 313.445 2.171 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4C)ccc21 ZINC001138357864 796204696 /nfs/dbraw/zinc/20/46/96/796204696.db2.gz WZAYJROZDWMSEY-QZTJIDSGSA-N 1 0 313.445 2.264 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)ccc21 ZINC001138359006 796205495 /nfs/dbraw/zinc/20/54/95/796205495.db2.gz HEDAEMIJOJYRBW-KRWDZBQOSA-N 1 0 311.433 2.498 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]1(C)O ZINC001138496473 796226813 /nfs/dbraw/zinc/22/68/13/796226813.db2.gz QRQNJLDUWJQQBU-QAPCUYQASA-N 1 0 304.434 2.116 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(C)CC1 ZINC001138497650 796227307 /nfs/dbraw/zinc/22/73/07/796227307.db2.gz MKKVQXIPWNFPIO-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)ccn1 ZINC001140060061 796472071 /nfs/dbraw/zinc/47/20/71/796472071.db2.gz JHRRKVLJTDEYQY-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC001140062736 796472425 /nfs/dbraw/zinc/47/24/25/796472425.db2.gz FRCUBMSHERZARG-NHAGDIPZSA-N 1 0 322.380 2.486 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c1O ZINC001140182031 796487410 /nfs/dbraw/zinc/48/74/10/796487410.db2.gz GHBXJBVETWBMHV-UHFFFAOYSA-N 1 0 304.434 2.304 20 10 DECDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140286710 796502562 /nfs/dbraw/zinc/50/25/62/796502562.db2.gz BKURYYLLMDMTHF-GOSISDBHSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1nccnc1O[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585485 796541602 /nfs/dbraw/zinc/54/16/02/796541602.db2.gz KHNPRSXXZGVPCS-GFCCVEGCSA-N 1 0 321.327 2.422 20 10 DECDRO CC1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660228 796552116 /nfs/dbraw/zinc/55/21/16/796552116.db2.gz KJXWCHSFYFMIBP-UHFFFAOYSA-N 1 0 308.397 2.009 20 10 DECDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660454 796552652 /nfs/dbraw/zinc/55/26/52/796552652.db2.gz SAZPLFPXMCLFKB-GOSISDBHSA-N 1 0 322.424 2.399 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1O ZINC001140742667 796566076 /nfs/dbraw/zinc/56/60/76/796566076.db2.gz UNBUVLPZWLOPGK-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c(O)c1 ZINC001140856327 796583934 /nfs/dbraw/zinc/58/39/34/796583934.db2.gz XQLFFRASADBBAS-HNNXBMFYSA-N 1 0 321.440 2.466 20 10 DECDRO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140953860 796606453 /nfs/dbraw/zinc/60/64/53/796606453.db2.gz IBJKNPISHWFBPW-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078124 796632987 /nfs/dbraw/zinc/63/29/87/796632987.db2.gz LVYABZNWXUIJAN-UHFFFAOYSA-N 1 0 302.418 2.380 20 10 DECDRO CN1CCOc2cc(C[N@H+](C)[C@H]3CCC4(C3)OCCO4)ccc21 ZINC001141145392 796640133 /nfs/dbraw/zinc/64/01/33/796640133.db2.gz BMEWBMFXCKXFOE-HNNXBMFYSA-N 1 0 318.417 2.243 20 10 DECDRO CC(=O)N1CCCCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159070 796641836 /nfs/dbraw/zinc/64/18/36/796641836.db2.gz XSFVEIQLKWWXEF-UHFFFAOYSA-N 1 0 318.417 2.465 20 10 DECDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159482 796642255 /nfs/dbraw/zinc/64/22/55/796642255.db2.gz HGIVKSKKUJAFMH-UHFFFAOYSA-N 1 0 318.417 2.322 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141156654 796642486 /nfs/dbraw/zinc/64/24/86/796642486.db2.gz PVHKSZJDCJTUAS-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO CCCCOCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155994019 797901019 /nfs/dbraw/zinc/90/10/19/797901019.db2.gz KUUUPIAFRRUKEX-UHFFFAOYSA-N 1 0 322.449 2.416 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157102145 798144042 /nfs/dbraw/zinc/14/40/42/798144042.db2.gz JEUDZTXBNWIBKN-QWHCGFSZSA-N 1 0 311.422 2.224 20 10 DECDRO Cc1cccc(CNc2cccc(N3CC[NH+](C)CC3)n2)c1O ZINC001160770211 798738545 /nfs/dbraw/zinc/73/85/45/798738545.db2.gz SYHNTJZIPXUYEQ-UHFFFAOYSA-N 1 0 312.417 2.460 20 10 DECDRO C[NH+]1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3)cc2)CC1 ZINC000201054806 799020453 /nfs/dbraw/zinc/02/04/53/799020453.db2.gz KIIHIVLCPHSVLY-SFHVURJKSA-N 1 0 322.412 2.293 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)C3C(=O)OC)c1O ZINC001203617900 800091172 /nfs/dbraw/zinc/09/11/72/800091172.db2.gz XMTCMQFGHCMKRK-NNQSOWQGSA-N 1 0 305.374 2.032 20 10 DECDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 ZINC001203645717 800100098 /nfs/dbraw/zinc/10/00/98/800100098.db2.gz NAVIUVUBTDKRIY-GXFFZTMASA-N 1 0 311.223 2.291 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c1 ZINC001203681285 800104910 /nfs/dbraw/zinc/10/49/10/800104910.db2.gz SSZNRTYIMOAEQZ-HNNXBMFYSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277839 800199608 /nfs/dbraw/zinc/19/96/08/800199608.db2.gz MBEFYUKZYKXVLC-HNNXBMFYSA-N 1 0 316.357 2.155 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000934941400 800505822 /nfs/dbraw/zinc/50/58/22/800505822.db2.gz XJPPJKVWKXJGAW-DOMZBBRYSA-N 1 0 306.406 2.451 20 10 DECDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(Br)ccc2O)C1 ZINC001206405155 800526642 /nfs/dbraw/zinc/52/66/42/800526642.db2.gz OUTNBRDYPAHBSA-GHMZBOCLSA-N 1 0 303.175 2.026 20 10 DECDRO CN(C)CC[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138335851 800862282 /nfs/dbraw/zinc/86/22/82/800862282.db2.gz DGMBLGPVDBASIE-UHFFFAOYSA-N 1 0 303.450 2.084 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589004 801690878 /nfs/dbraw/zinc/69/08/78/801690878.db2.gz AEBKHTIRTVIFQJ-AWEZNQCLSA-N 1 0 315.369 2.309 20 10 DECDRO C[C@]1(CO)C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001231879851 801743885 /nfs/dbraw/zinc/74/38/85/801743885.db2.gz RZWASZPKNFCHOS-SJLPKXTDSA-N 1 0 301.386 2.111 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1Cl ZINC001232262229 801831818 /nfs/dbraw/zinc/83/18/18/801831818.db2.gz CGQKCNIFMZUUFE-AOOOYVTPSA-N 1 0 319.735 2.465 20 10 DECDRO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1O)C1CCCC1 ZINC001232839373 801969301 /nfs/dbraw/zinc/96/93/01/801969301.db2.gz ICEPLVIJBICEOB-UHFFFAOYSA-N 1 0 306.406 2.376 20 10 DECDRO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232840852 801969748 /nfs/dbraw/zinc/96/97/48/801969748.db2.gz MFIDNWVLXHWVIY-ZDUSSCGKSA-N 1 0 302.378 2.139 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1 ZINC001233284003 802065112 /nfs/dbraw/zinc/06/51/12/802065112.db2.gz DLQOSDQHHARNFC-WMZOPIPTSA-N 1 0 307.434 2.255 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)ccc21 ZINC001218330410 802168760 /nfs/dbraw/zinc/16/87/60/802168760.db2.gz LPFXQFODVSEDQS-HWOJHCLVSA-N 1 0 319.360 2.449 20 10 DECDRO Oc1c(C[NH+]2CC3(CC(O)C3)C2)cccc1OC(F)(F)F ZINC001233727741 802190569 /nfs/dbraw/zinc/19/05/69/802190569.db2.gz PBHMKYINSSSJKB-UHFFFAOYSA-N 1 0 303.280 2.248 20 10 DECDRO CN1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727857 802190963 /nfs/dbraw/zinc/19/09/63/802190963.db2.gz QCSWWPGIQRVWLU-UHFFFAOYSA-N 1 0 304.312 2.428 20 10 DECDRO C[NH+]1CC2(CN(Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233776179 802207448 /nfs/dbraw/zinc/20/74/48/802207448.db2.gz MIZTWZSYMZQZBO-UHFFFAOYSA-N 1 0 302.296 2.038 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@](F)(CO)C3)c2c1 ZINC001234525201 802401250 /nfs/dbraw/zinc/40/12/50/802401250.db2.gz CLTXWAIVRHKWHS-KRWDZBQOSA-N 1 0 305.349 2.460 20 10 DECDRO COc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c([O-])c1Cl ZINC001222548244 802705354 /nfs/dbraw/zinc/70/53/54/802705354.db2.gz CNPSYIXLQUDXJG-UHFFFAOYSA-N 1 0 302.777 2.317 20 10 DECDRO Cc1ccc(C)n1-c1ccsc1C(=O)NOCC[NH+](C)C ZINC001331185258 1149393092 /nfs/dbraw/zinc/39/30/92/1149393092.db2.gz SMGXKZLIBJGDHW-UHFFFAOYSA-N 1 0 307.419 2.379 20 10 DECDRO CCC[N@H+](Cc1cnc(C(=O)OC)cn1)Cc1ccccc1O ZINC001334971209 1150361586 /nfs/dbraw/zinc/36/15/86/1150361586.db2.gz FACKQQJAZPCBGV-UHFFFAOYSA-N 1 0 315.373 2.381 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccco1 ZINC001335472371 1150426027 /nfs/dbraw/zinc/42/60/27/1150426027.db2.gz XBIKPWPKTSNATN-GFCCVEGCSA-N 1 0 307.346 2.480 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+])c1ccc(N(C)C)cc1 ZINC001335556306 1150452319 /nfs/dbraw/zinc/45/23/19/1150452319.db2.gz JEFIXFPFDRCGCV-YEWWUXTCSA-N 1 0 316.449 2.336 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+])c1ccc(N(C)C)cc1 ZINC001335556302 1150452433 /nfs/dbraw/zinc/45/24/33/1150452433.db2.gz JEFIXFPFDRCGCV-JCKWVBRZSA-N 1 0 316.449 2.336 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@@]12CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001336082518 1150619568 /nfs/dbraw/zinc/61/95/68/1150619568.db2.gz KETZHIQTMDVKJR-KSSFIOAISA-N 1 0 316.449 2.351 20 10 DECDRO CC[N@@H+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC001458268339 1058053191 /nfs/dbraw/zinc/05/31/91/1058053191.db2.gz WDUGCBUDCCKCIW-LLVKDONJSA-N 1 0 309.366 2.142 20 10 DECDRO c1cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc2c1OCC2 ZINC001461285238 1058629714 /nfs/dbraw/zinc/62/97/14/1058629714.db2.gz YHXAJUXXIZMRDF-ZWKOTPCHSA-N 1 0 316.445 2.355 20 10 DECDRO O=C1NCCN1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001461990469 1058748049 /nfs/dbraw/zinc/74/80/49/1058748049.db2.gz YEDDULGYSKIGPX-UHFFFAOYSA-N 1 0 309.797 2.035 20 10 DECDRO COC(=O)N1CCC(C[NH2+]Cc2c(C)cc(OC)cc2O)CC1 ZINC001462221245 1058785260 /nfs/dbraw/zinc/78/52/60/1058785260.db2.gz SIGWOLISQYVDDS-UHFFFAOYSA-N 1 0 322.405 2.277 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2cc(C)c[nH]c2=O)cc1OC ZINC001462639754 1058869057 /nfs/dbraw/zinc/86/90/57/1058869057.db2.gz BWLKZDBSPMNCFZ-UHFFFAOYSA-N 1 0 304.346 2.108 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccn[nH]2)cc1C ZINC001503094703 1060428403 /nfs/dbraw/zinc/42/84/03/1060428403.db2.gz VUQSIOCCBXJAHX-ZDUSSCGKSA-N 1 0 316.405 2.025 20 10 DECDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC001474093817 1060816090 /nfs/dbraw/zinc/81/60/90/1060816090.db2.gz DXHFXFNOTXWPBR-BLLLJJGKSA-N 1 0 323.433 2.185 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccco2)cc1C ZINC001480558392 1063031212 /nfs/dbraw/zinc/03/12/12/1063031212.db2.gz AWIJKODFQFCXBL-AWEZNQCLSA-N 1 0 316.401 2.434 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC001621405400 1078173867 /nfs/dbraw/zinc/17/38/67/1078173867.db2.gz RPIJQYZBKAOALN-INIZCTEOSA-N 1 0 309.431 2.417 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@]23CCC[C@]2(OC)OCC3)cc1OC ZINC001621519796 1078176713 /nfs/dbraw/zinc/17/67/13/1078176713.db2.gz AUAGOEIIEWVMLN-SJORKVTESA-N 1 0 323.389 2.185 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CCCO2)cc1C ZINC001568982266 1065225795 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCC[NH3+] ZINC001579616959 1067386497 /nfs/dbraw/zinc/38/64/97/1067386497.db2.gz JISZXBBWONTPSE-AWEZNQCLSA-N 1 0 306.454 2.030 20 10 DECDRO Cn1ncc(C(=O)OC(C)(C)C)c1CNCc1ccc(N)cc1 ZINC001579998447 1067469590 /nfs/dbraw/zinc/46/95/90/1067469590.db2.gz LUBAWSQCECAVRF-UHFFFAOYSA-N 1 0 316.405 2.247 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001570601634 1068031415 /nfs/dbraw/zinc/03/14/15/1068031415.db2.gz NZBQKCGYPUWQJU-ZIAGYGMSSA-N 1 0 322.449 2.147 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)c(C)n1-c1ccccn1 ZINC001514662902 1068751441 /nfs/dbraw/zinc/75/14/41/1068751441.db2.gz IZPQEIGZXTWBER-JKSUJKDBSA-N 1 0 324.428 2.489 20 10 DECDRO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001272618705 1079014977 /nfs/dbraw/zinc/01/49/77/1079014977.db2.gz NNBRDCUYUMFOMO-MRXNPFEDSA-N 1 0 310.344 2.082 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1 ZINC001272623309 1079017874 /nfs/dbraw/zinc/01/78/74/1079017874.db2.gz ZSBAPEUWZQJYQN-KRWDZBQOSA-N 1 0 324.371 2.390 20 10 DECDRO O=C(NCc1c(O)cccc1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001647270696 1074864325 /nfs/dbraw/zinc/86/43/25/1074864325.db2.gz XKTFUBJRAACGNS-AWEZNQCLSA-N 1 0 304.390 2.121 20 10 DECDRO [NH3+]Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001580342761 1075906578 /nfs/dbraw/zinc/90/65/78/1075906578.db2.gz HBXWZTKMZCBPIQ-UHFFFAOYSA-N 1 0 307.353 2.329 20 10 DECDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001652196792 1079857381 /nfs/dbraw/zinc/85/73/81/1079857381.db2.gz MVALUDTVYCYUNX-OAHLLOKOSA-N 1 0 318.804 2.493 20 10 DECDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655688265 1080012133 /nfs/dbraw/zinc/01/21/33/1080012133.db2.gz WEWJCHSYKLYQQY-LSDHHAIUSA-N 1 0 323.456 2.074 20 10 DECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001656891446 1080135056 /nfs/dbraw/zinc/13/50/56/1080135056.db2.gz PQLHBGFLDZDYGV-INIZCTEOSA-N 1 0 301.434 2.387 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)CNC(N)=O)cc1F ZINC001657082073 1080154090 /nfs/dbraw/zinc/15/40/90/1080154090.db2.gz LWURRNGCRYCZGV-UHFFFAOYSA-N 1 0 310.417 2.208 20 10 DECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001658078233 1080195207 /nfs/dbraw/zinc/19/52/07/1080195207.db2.gz YXVWRDBQEPDVKM-WFASDCNBSA-N 1 0 310.825 2.341 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC001658144971 1080197544 /nfs/dbraw/zinc/19/75/44/1080197544.db2.gz WVPQZPJBJMKXHA-CYBMUJFWSA-N 1 0 322.405 2.372 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c(O)c1 ZINC001658824359 1080217864 /nfs/dbraw/zinc/21/78/64/1080217864.db2.gz OTPFBOZYFNGHKS-HNNXBMFYSA-N 1 0 307.390 2.437 20 10 DECDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001659304069 1080236370 /nfs/dbraw/zinc/23/63/70/1080236370.db2.gz GDVUTPYNQLMEGS-OAHLLOKOSA-N 1 0 311.353 2.042 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCN2C)cc1Cl ZINC001660047245 1080261237 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COc1ccc(N2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)cc1 ZINC001276926938 1083683743 /nfs/dbraw/zinc/68/37/43/1083683743.db2.gz IRXMKVRVVWHVIQ-MAUKXSAKSA-N 1 0 312.417 2.102 20 10 DECDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)cc1 ZINC001276927533 1083684100 /nfs/dbraw/zinc/68/41/00/1083684100.db2.gz SUGTVWQWOJCEOX-ROUUACIJSA-N 1 0 312.417 2.245 20 10 DECDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)cc1F ZINC001277010933 1083732772 /nfs/dbraw/zinc/73/27/72/1083732772.db2.gz ZGKBTDNXOKVGQV-UHFFFAOYSA-N 1 0 316.380 2.270 20 10 DECDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277454269 1083979690 /nfs/dbraw/zinc/97/96/90/1083979690.db2.gz PMFYOWPFYBQJKW-FZKQIMNGSA-N 1 0 318.417 2.137 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c1O ZINC001277453636 1083979942 /nfs/dbraw/zinc/97/99/42/1083979942.db2.gz DKVOQNPSCAFDLE-KDOFPFPSSA-N 1 0 318.417 2.268 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2cn[nH]c2)c(O)c1 ZINC001277560211 1084035580 /nfs/dbraw/zinc/03/55/80/1084035580.db2.gz SLKJXLSOANYNJB-DYVFJYSZSA-N 1 0 312.373 2.027 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001272917597 1084472797 /nfs/dbraw/zinc/47/27/97/1084472797.db2.gz XLQNTOLIQDAYRF-INIZCTEOSA-N 1 0 301.434 2.101 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1 ZINC001235677762 1084496796 /nfs/dbraw/zinc/49/67/96/1084496796.db2.gz HQNHHWXDPWNGFE-SWLSCSKDSA-N 1 0 302.418 2.258 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235694090 1084501918 /nfs/dbraw/zinc/50/19/18/1084501918.db2.gz LLGYXYOVQBWWNB-KRWDZBQOSA-N 1 0 303.450 2.443 20 10 DECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001235992587 1084584208 /nfs/dbraw/zinc/58/42/08/1084584208.db2.gz PTUAILVZNVKXLE-BXUZGUMPSA-N 1 0 316.323 2.256 20 10 DECDRO CC(C)[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000962861555 1086259192 /nfs/dbraw/zinc/25/91/92/1086259192.db2.gz ZRRCNUFGUSLQPP-UHFFFAOYSA-N 1 0 317.393 2.355 20 10 DECDRO COCCOCC[N@H+](C)Cc1c(O)cccc1Br ZINC000707155182 1086660163 /nfs/dbraw/zinc/66/01/63/1086660163.db2.gz NUIQMSCJSLYRAC-UHFFFAOYSA-N 1 0 318.211 2.250 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCCO2)cc1C ZINC001274727290 1091389155 /nfs/dbraw/zinc/38/91/55/1091389155.db2.gz VWRSBFYRCHWZIE-RHSMWYFYSA-N 1 0 320.433 2.167 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c(O)c1 ZINC001274765011 1091403044 /nfs/dbraw/zinc/40/30/44/1091403044.db2.gz GQBTYWXQKKJLFW-OAHLLOKOSA-N 1 0 318.417 2.139 20 10 DECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001275266906 1091644114 /nfs/dbraw/zinc/64/41/14/1091644114.db2.gz FERRLDJUGNSEKW-WMZOPIPTSA-N 1 0 302.418 2.220 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001274099983 1093797276 /nfs/dbraw/zinc/79/72/76/1093797276.db2.gz RRDFNXGGMCQEBO-CQSZACIVSA-N 1 0 306.381 2.188 20 10 DECDRO COc1cc(CN2CCC[C@@H]2C[NH3+])c(O)cc1Br ZINC001236251200 1138344286 /nfs/dbraw/zinc/34/42/86/1138344286.db2.gz PZPWQNAEQLENRZ-SNVBAGLBSA-N 1 0 315.211 2.086 20 10 DECDRO C[N@H+](Cc1cc(O)c(Br)cc1O)CC1(C)COC1 ZINC001236775990 1138424852 /nfs/dbraw/zinc/42/48/52/1138424852.db2.gz SARFGLJRMBDJJV-UHFFFAOYSA-N 1 0 316.195 2.329 20 10 DECDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236786525 1138427347 /nfs/dbraw/zinc/42/73/47/1138427347.db2.gz CCQOTYOZNIITLW-MRXNPFEDSA-N 1 0 320.433 2.072 20 10 DECDRO CCc1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(O)c1 ZINC001236785106 1138427546 /nfs/dbraw/zinc/42/75/46/1138427546.db2.gz FMRIRPVRKOYARN-IRXDYDNUSA-N 1 0 314.429 2.255 20 10 DECDRO COCC[N@H+](Cc1c(C)cc(OC)cc1O)C1CCN(C)CC1 ZINC001236814521 1138437000 /nfs/dbraw/zinc/43/70/00/1138437000.db2.gz TUXZJJMZNCYURM-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO COCCCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC001236945148 1138463250 /nfs/dbraw/zinc/46/32/50/1138463250.db2.gz FNDBOCMWKCWANB-KRWDZBQOSA-N 1 0 305.466 2.261 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CC2COC2)c(Br)c1 ZINC001237072821 1138497685 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COC[C@@H]1Cn2ccnc2CN(Cc2cc(F)cc(C)c2O)C1 ZINC001238061602 1138819332 /nfs/dbraw/zinc/81/93/32/1138819332.db2.gz ONWVNJAJNPCBEM-ZDUSSCGKSA-N 1 0 319.380 2.315 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3CCC3)cc2)CC1 ZINC001353011743 1151803476 /nfs/dbraw/zinc/80/34/76/1151803476.db2.gz WQIXWIIFVCASKX-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO COc1cc(N2CC[NH2+]CC2)ccc1-c1cnc2c(c1)CCCN2 ZINC001244288910 1140334473 /nfs/dbraw/zinc/33/44/73/1140334473.db2.gz REKZAZNDXJFHGY-UHFFFAOYSA-N 1 0 324.428 2.168 20 10 DECDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319711976 1140680230 /nfs/dbraw/zinc/68/02/30/1140680230.db2.gz NLTRVYQOSKVEJB-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnnn1CC1CC1 ZINC001320627380 1140886988 /nfs/dbraw/zinc/88/69/88/1140886988.db2.gz BVAOFXJMTGEJBJ-YPMHNXCESA-N 1 0 313.405 2.435 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnc2n1CCOC2 ZINC001320816876 1140938958 /nfs/dbraw/zinc/93/89/58/1140938958.db2.gz 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COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCO2)cc1C ZINC001491979055 1147028871 /nfs/dbraw/zinc/02/88/71/1147028871.db2.gz GFJVYKZXJVZHFG-PBHICJAKSA-N 1 0 320.433 2.167 20 10 DECDRO CCC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001303756164 1147334231 /nfs/dbraw/zinc/33/42/31/1147334231.db2.gz PVISOXSEQQQEOL-UHFFFAOYSA-N 1 0 318.417 2.117 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001308303288 1147464591 /nfs/dbraw/zinc/46/45/91/1147464591.db2.gz HDESXNLSKVURII-HNNXBMFYSA-N 1 0 301.434 2.386 20 10 DECDRO CCn1cccc(C[NH2+]Cc2c(C)cc(OC)cc2O)c1=O ZINC001308728325 1147483972 /nfs/dbraw/zinc/48/39/72/1147483972.db2.gz DXBARAYXVCWDCF-UHFFFAOYSA-N 1 0 302.374 2.181 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2F)CC1 ZINC001324919929 1147857889 /nfs/dbraw/zinc/85/78/89/1147857889.db2.gz IBFZYFXEEHBNBR-OAHLLOKOSA-N 1 0 323.481 2.420 20 10 DECDRO C[NH2+][C@H](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001325682413 1147983293 /nfs/dbraw/zinc/98/32/93/1147983293.db2.gz 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C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452780 130124388 /nfs/dbraw/zinc/12/43/88/130124388.db2.gz GHTFBEIRNKDRCS-PXAZEXFGSA-N 1 0 315.417 2.389 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1C ZINC000273542315 130133848 /nfs/dbraw/zinc/13/38/48/130133848.db2.gz XATZBSASAZHMHK-UHFFFAOYSA-N 1 0 316.380 2.260 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)c(O)c1 ZINC000284311228 131068374 /nfs/dbraw/zinc/06/83/74/131068374.db2.gz JLKXPDHFOWVVBK-SJLPKXTDSA-N 1 0 320.433 2.086 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(O)c1 ZINC000284471849 131083183 /nfs/dbraw/zinc/08/31/83/131083183.db2.gz VVOOGRQUIGISLL-GJZGRUSLSA-N 1 0 322.449 2.068 20 10 DECDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(C)c(O)c1O ZINC000287565033 131286824 /nfs/dbraw/zinc/28/68/24/131286824.db2.gz WXHGKYYBGAOENT-UHFFFAOYSA-N 1 0 306.406 2.354 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1O ZINC000288427559 131325385 /nfs/dbraw/zinc/32/53/85/131325385.db2.gz BMRIVGQDBPDPHO-KBXCAEBGSA-N 1 0 315.369 2.375 20 10 DECDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000289247806 131368770 /nfs/dbraw/zinc/36/87/70/131368770.db2.gz DZVLITIOHAXXAF-CQSZACIVSA-N 1 0 306.406 2.282 20 10 DECDRO COc1ccc(N2CCN(Cc3c(C)cnn3C)CC2)cc1F ZINC000289243721 131368926 /nfs/dbraw/zinc/36/89/26/131368926.db2.gz LIICTYSJZXEGLM-UHFFFAOYSA-N 1 0 318.396 2.198 20 10 DECDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000289256537 131369382 /nfs/dbraw/zinc/36/93/82/131369382.db2.gz FKVZNSWZDZTCGJ-CQSZACIVSA-N 1 0 306.406 2.282 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000298677762 132073059 /nfs/dbraw/zinc/07/30/59/132073059.db2.gz VTRCQNOSDUJSQK-IRXDYDNUSA-N 1 0 316.449 2.179 20 10 DECDRO CN1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000133581658 401891390 /nfs/dbraw/zinc/89/13/90/401891390.db2.gz LOPCEJRUWXYPDF-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1cccs1 ZINC000121148505 402017567 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COc1cc(Cl)cc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000184688715 402292100 /nfs/dbraw/zinc/29/21/00/402292100.db2.gz GHPJHLFOCYNUHH-UHFFFAOYSA-N 1 0 322.792 2.444 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000184709799 402293846 /nfs/dbraw/zinc/29/38/46/402293846.db2.gz CZVSCDHLMBFCMC-ZDUSSCGKSA-N 1 0 303.811 2.012 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000176265440 402295071 /nfs/dbraw/zinc/29/50/71/402295071.db2.gz PKYZMRZIFZRWOV-CALCHBBNSA-N 1 0 315.461 2.443 20 10 DECDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000184866957 402305774 /nfs/dbraw/zinc/30/57/74/402305774.db2.gz KWGGJWVMKOKIBH-LBPRGKRZSA-N 1 0 302.418 2.448 20 10 DECDRO CCCNC(=O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184881522 402306321 /nfs/dbraw/zinc/30/63/21/402306321.db2.gz WMGRPQPIKIHPNU-SECBINFHSA-N 1 0 315.211 2.332 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(F)ccc1O ZINC000186028237 402397424 /nfs/dbraw/zinc/39/74/24/402397424.db2.gz XLFLZABFZRHPQD-JTQLQIEISA-N 1 0 303.399 2.395 20 10 DECDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000186103203 402402077 /nfs/dbraw/zinc/40/20/77/402402077.db2.gz KCRIIOFTVVVEBZ-CHWSQXEVSA-N 1 0 316.405 2.104 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1OC ZINC000278664598 402869511 /nfs/dbraw/zinc/86/95/11/402869511.db2.gz LAGQAAQPNQBQKY-OAHLLOKOSA-N 1 0 321.348 2.372 20 10 DECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC000271813463 402884203 /nfs/dbraw/zinc/88/42/03/402884203.db2.gz MHEDKCAMPJETOB-JKSUJKDBSA-N 1 0 305.418 2.453 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC000271813458 402884358 /nfs/dbraw/zinc/88/43/58/402884358.db2.gz MHEDKCAMPJETOB-HOTGVXAUSA-N 1 0 305.418 2.453 20 10 DECDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279265311 402924100 /nfs/dbraw/zinc/92/41/00/402924100.db2.gz MTNRHWWRCSQZKL-PBHICJAKSA-N 1 0 303.450 2.489 20 10 DECDRO CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(C)cc1O ZINC000280262028 402981108 /nfs/dbraw/zinc/98/11/08/402981108.db2.gz XGFZFGLSNHSGGW-HOTGVXAUSA-N 1 0 319.449 2.081 20 10 DECDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889997 403120849 /nfs/dbraw/zinc/12/08/49/403120849.db2.gz JPKHKRGQITUVDJ-ZFWWWQNUSA-N 1 0 310.413 2.474 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276508889 403182223 /nfs/dbraw/zinc/18/22/23/403182223.db2.gz AVRMJDFPGUKDML-LLVKDONJSA-N 1 0 310.369 2.087 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000293852697 403580850 /nfs/dbraw/zinc/58/08/50/403580850.db2.gz HVJCAXCSNDFGBW-CABZTGNLSA-N 1 0 303.811 2.019 20 10 DECDRO COc1c(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)ccc1[N+](=O)[O-] ZINC000293997069 403620077 /nfs/dbraw/zinc/62/00/77/403620077.db2.gz SOFYBLQIHWCOHF-CYBMUJFWSA-N 1 0 322.361 2.188 20 10 DECDRO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(O)c1O ZINC000288579219 403758926 /nfs/dbraw/zinc/75/89/26/403758926.db2.gz XHLUEBLAFHHHNV-OLZOCXBDSA-N 1 0 304.390 2.105 20 10 DECDRO COc1ccc2c(c1)CCCCN2C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289395467 286389082 /nfs/dbraw/zinc/38/90/82/286389082.db2.gz RQPVKGSDQKXSDT-INIZCTEOSA-N 1 0 304.434 2.293 20 10 DECDRO CCCOc1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(O)c1 ZINC000295195673 403792918 /nfs/dbraw/zinc/79/29/18/403792918.db2.gz XWAOOUWYGQUGAC-WMZOPIPTSA-N 1 0 320.433 2.086 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000289768734 403998714 /nfs/dbraw/zinc/99/87/14/403998714.db2.gz RFFUCWIIADTDKN-INIZCTEOSA-N 1 0 317.433 2.470 20 10 DECDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000289875508 404006219 /nfs/dbraw/zinc/00/62/19/404006219.db2.gz LWPAGDUHBWALHY-TZMCWYRMSA-N 1 0 302.418 2.275 20 10 DECDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000289938472 404009281 /nfs/dbraw/zinc/00/92/81/404009281.db2.gz VVPDDQXKZQYJKK-CYBMUJFWSA-N 1 0 318.396 2.279 20 10 DECDRO COCCOC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOCC1 ZINC000295861429 404016512 /nfs/dbraw/zinc/01/65/12/404016512.db2.gz BMRIRMRSSJRUGH-HNNXBMFYSA-N 1 0 321.417 2.181 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCC(O)CC2)cc1 ZINC000296009781 404050389 /nfs/dbraw/zinc/05/03/89/404050389.db2.gz RAELKLJADMULGM-HNNXBMFYSA-N 1 0 305.466 2.250 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCOCC3(CCC3)C2)cc1OC ZINC000363971192 404272477 /nfs/dbraw/zinc/27/24/77/404272477.db2.gz LEUFOKMJQCYLRA-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000290781933 404310673 /nfs/dbraw/zinc/31/06/73/404310673.db2.gz NAXJCOYIDZDZLB-CQSZACIVSA-N 1 0 306.454 2.281 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000245538281 225220464 /nfs/dbraw/zinc/22/04/64/225220464.db2.gz JSNTYPBKMNFVML-KGLIPLIRSA-N 1 0 306.406 2.078 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000268185979 225377810 /nfs/dbraw/zinc/37/78/10/225377810.db2.gz UKVFIYAUNKHPGW-SWLSCSKDSA-N 1 0 303.406 2.016 20 10 DECDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000374889568 227141659 /nfs/dbraw/zinc/14/16/59/227141659.db2.gz CCMGKAIQFSGQKS-NVXWUHKLSA-N 1 0 301.390 2.214 20 10 DECDRO COc1cc(O)c(C[NH2+]C2(C3CC3)CCOCC2)cc1OC ZINC000376385120 227168843 /nfs/dbraw/zinc/16/88/43/227168843.db2.gz KBYLYKDGMDVDIP-UHFFFAOYSA-N 1 0 307.390 2.458 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418092918 229216210 /nfs/dbraw/zinc/21/62/10/229216210.db2.gz BCYWGOIXRORIKR-IUODEOHRSA-N 1 0 314.433 2.284 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000834849985 649854167 /nfs/dbraw/zinc/85/41/67/649854167.db2.gz HXZUZOZIZKXXPW-MAUKXSAKSA-N 1 0 305.466 2.250 20 10 DECDRO CC[NH+](CC)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000068115516 276093412 /nfs/dbraw/zinc/09/34/12/276093412.db2.gz LQBOSOVIEWTABQ-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418092915 533970518 /nfs/dbraw/zinc/97/05/18/533970518.db2.gz BCYWGOIXRORIKR-DOMZBBRYSA-N 1 0 314.433 2.284 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3CC3)CC2)cc1 ZINC000267237090 534013994 /nfs/dbraw/zinc/01/39/94/534013994.db2.gz MBVFPPBEZDURCS-HNNXBMFYSA-N 1 0 303.450 2.205 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369670681 534199511 /nfs/dbraw/zinc/19/95/11/534199511.db2.gz PGZOXWABTROSAZ-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO CN(C)c1ccc(/C=C\CN2CC[NH+](CCCCO)CC2)cc1 ZINC000835027190 649868864 /nfs/dbraw/zinc/86/88/64/649868864.db2.gz DAVAYAIYSAQOES-WAYWQWQTSA-N 1 0 317.477 2.156 20 10 DECDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000236606820 518646082 /nfs/dbraw/zinc/64/60/82/518646082.db2.gz BVLBCQVEKYRCMB-UHFFFAOYSA-N 1 0 303.450 2.392 20 10 DECDRO CN(C)c1ccc(/C=C/CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000835037264 649869769 /nfs/dbraw/zinc/86/97/69/649869769.db2.gz IZNOSXCIMSYNCQ-FBDDWCLBSA-N 1 0 315.461 2.219 20 10 DECDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000237106708 522009615 /nfs/dbraw/zinc/00/96/15/522009615.db2.gz YQFCOOXPTQXZSH-UHFFFAOYSA-N 1 0 301.390 2.052 20 10 DECDRO COC(=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000188678667 522831651 /nfs/dbraw/zinc/83/16/51/522831651.db2.gz IRHZYCBBQIOVSM-UHFFFAOYSA-N 1 0 314.179 2.198 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1 ZINC000182390627 524768117 /nfs/dbraw/zinc/76/81/17/524768117.db2.gz JRYIGDGTSLGGDK-LBPRGKRZSA-N 1 0 306.406 2.310 20 10 DECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(N(C)C)cc1 ZINC000188747650 524935037 /nfs/dbraw/zinc/93/50/37/524935037.db2.gz LGTQZYTZAIWYGV-OAHLLOKOSA-N 1 0 305.466 2.030 20 10 DECDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179576520 525420177 /nfs/dbraw/zinc/42/01/77/525420177.db2.gz GCZWPEANTXUDGE-CYBMUJFWSA-N 1 0 324.396 2.076 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)ccc1O ZINC000188998698 525588075 /nfs/dbraw/zinc/58/80/75/525588075.db2.gz YRRSOQCRXKZLIO-BDAKNGLRSA-N 1 0 315.211 2.282 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000179902914 525642369 /nfs/dbraw/zinc/64/23/69/525642369.db2.gz SPWJOCOBSIPEDO-MWLCHTKSSA-N 1 0 302.296 2.206 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000179954035 526158554 /nfs/dbraw/zinc/15/85/54/526158554.db2.gz UWHXMTVYIYHLTC-SNVBAGLBSA-N 1 0 300.196 2.277 20 10 DECDRO Fc1cc(C[NH2+]CC2=CCCOC2)ccc1N1CCOCC1 ZINC000126593936 526296849 /nfs/dbraw/zinc/29/68/49/526296849.db2.gz BYEKAGKDYBTXNI-UHFFFAOYSA-N 1 0 306.381 2.099 20 10 DECDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccccc1O ZINC000265391855 526329073 /nfs/dbraw/zinc/32/90/73/526329073.db2.gz CZNIDOXWEYEMEP-UHFFFAOYSA-N 1 0 318.417 2.044 20 10 DECDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368667427 528895530 /nfs/dbraw/zinc/89/55/30/528895530.db2.gz RLRMZKGPEAJSAT-IBGZPJMESA-N 1 0 318.461 2.364 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000835041152 649870242 /nfs/dbraw/zinc/87/02/42/649870242.db2.gz WHJVWCKJLNSSQP-FZZYSBJUSA-N 1 0 301.434 2.400 20 10 DECDRO C[C@@H]1CN(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835039256 649870368 /nfs/dbraw/zinc/87/03/68/649870368.db2.gz YXVORAXKIFWMBC-DWTRPJMMSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000835040396 649870393 /nfs/dbraw/zinc/87/03/93/649870393.db2.gz CAKIYTJMJLAQTL-ONEGZZNKSA-N 1 0 322.474 2.180 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000835045333 649870686 /nfs/dbraw/zinc/87/06/86/649870686.db2.gz KPXBWSAUUTVCOO-ONEGZZNKSA-N 1 0 315.417 2.340 20 10 DECDRO CC(C)S(=O)(=O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835051928 649872571 /nfs/dbraw/zinc/87/25/71/649872571.db2.gz BZFSWFKSKBAKAC-AATRIKPKSA-N 1 0 310.463 2.179 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1F ZINC000835072731 649875304 /nfs/dbraw/zinc/87/53/04/649875304.db2.gz IPVQDMKQISBLFL-ZFWWWQNUSA-N 1 0 305.397 2.135 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000835075040 649875723 /nfs/dbraw/zinc/87/57/23/649875723.db2.gz UUOSQJDWCCEJJV-HIFRSBDPSA-N 1 0 304.390 2.034 20 10 DECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001327581485 1148593288 /nfs/dbraw/zinc/59/32/88/1148593288.db2.gz HBDDYFUHHWORDU-WKILWMFISA-N 1 0 321.440 2.235 20 10 DECDRO CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840889576 625435443 /nfs/dbraw/zinc/43/54/43/625435443.db2.gz RWKIDNKWFDZPKK-CMPLNLGQSA-N 1 0 315.410 2.494 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3CC3)C2)cc1C ZINC001026635382 625603028 /nfs/dbraw/zinc/60/30/28/625603028.db2.gz UKYKJILFZLDYTK-HNNXBMFYSA-N 1 0 302.418 2.352 20 10 DECDRO F[C@H]1CC2(CC[C@H]1[NH2+]Cc1ccc3c(c1)CCO3)OCCO2 ZINC000892794837 625613790 /nfs/dbraw/zinc/61/37/90/625613790.db2.gz XGSMVJIEPSSVQP-LSDHHAIUSA-N 1 0 307.365 2.345 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H]3COC(C)(C)O3)CC2)cc1 ZINC000892812055 625626625 /nfs/dbraw/zinc/62/66/25/625626625.db2.gz JVXMALBSSQUBQT-KRWDZBQOSA-N 1 0 320.433 2.405 20 10 DECDRO COC[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253041 623798416 /nfs/dbraw/zinc/79/84/16/623798416.db2.gz PLNCQWUDGJJXNC-YOEHRIQHSA-N 1 0 321.465 2.144 20 10 DECDRO Fc1cc(C[NH2+]CCOC2CCC2)ccc1N1CCOCC1 ZINC000742385471 624010390 /nfs/dbraw/zinc/01/03/90/624010390.db2.gz FSWVQQZLYMTZQT-UHFFFAOYSA-N 1 0 308.397 2.321 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000093520316 624173519 /nfs/dbraw/zinc/17/35/19/624173519.db2.gz PCOKKVXPENUZKZ-UHFFFAOYSA-N 1 0 312.479 2.446 20 10 DECDRO CC(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000157826754 624174185 /nfs/dbraw/zinc/17/41/85/624174185.db2.gz UGEZOYSMGMYGIF-QGZVFWFLSA-N 1 0 320.433 2.267 20 10 DECDRO [NH3+]C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000892006726 624740286 /nfs/dbraw/zinc/74/02/86/624740286.db2.gz MDCCHSZNSIEWJT-OAHLLOKOSA-N 1 0 303.406 2.325 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1O ZINC000892189541 624832782 /nfs/dbraw/zinc/83/27/82/624832782.db2.gz YISBUAFCLFZPMH-REWJHTLYSA-N 1 0 303.406 2.141 20 10 DECDRO CC(C)CNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849027848 625033914 /nfs/dbraw/zinc/03/39/14/625033914.db2.gz KYPQRDRXDKUEFH-UHFFFAOYSA-N 1 0 300.200 2.425 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(O)c1OC ZINC000893037257 625070252 /nfs/dbraw/zinc/07/02/52/625070252.db2.gz NZMLQKPAQVPGOR-LYRGGWFBSA-N 1 0 307.390 2.313 20 10 DECDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180435247 625203245 /nfs/dbraw/zinc/20/32/45/625203245.db2.gz WPMRNFCQDRPNCH-AWEZNQCLSA-N 1 0 318.396 2.210 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000892485761 625873626 /nfs/dbraw/zinc/87/36/26/625873626.db2.gz NISWRHNMCCMTMO-CQSZACIVSA-N 1 0 322.428 2.127 20 10 DECDRO COc1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)c(O)c1OC ZINC000893002695 625878134 /nfs/dbraw/zinc/87/81/34/625878134.db2.gz AYAKWHNBYARFOZ-NRFANRHFSA-N 1 0 315.435 2.046 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCc1ccco1 ZINC000921727740 634812200 /nfs/dbraw/zinc/81/22/00/634812200.db2.gz RGYLPJHRFIYOIJ-ZDUSSCGKSA-N 1 0 314.385 2.399 20 10 DECDRO COc1cccc(O)c1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000725846612 632936013 /nfs/dbraw/zinc/93/60/13/632936013.db2.gz NHLAGFGTOJVCBR-UHFFFAOYSA-N 1 0 318.348 2.060 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000162269268 632952235 /nfs/dbraw/zinc/95/22/35/632952235.db2.gz ZAWZCLNYAGVNBN-GJZGRUSLSA-N 1 0 312.417 2.489 20 10 DECDRO COC(=O)N1CC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186137641 633097822 /nfs/dbraw/zinc/09/78/22/633097822.db2.gz IDADKIRJMFVVTK-LLVKDONJSA-N 1 0 304.390 2.372 20 10 DECDRO COc1ccc(O)c(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000734065948 633329207 /nfs/dbraw/zinc/32/92/07/633329207.db2.gz LIFQYSPANSHDTD-CYBMUJFWSA-N 1 0 321.421 2.074 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000734666286 633412680 /nfs/dbraw/zinc/41/26/80/633412680.db2.gz YEWATGASYOWMOU-CQSZACIVSA-N 1 0 306.454 2.200 20 10 DECDRO O=c1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc[nH]1 ZINC000921557098 633712001 /nfs/dbraw/zinc/71/20/01/633712001.db2.gz JOFIBUWASTZARB-UHFFFAOYSA-N 1 0 317.364 2.053 20 10 DECDRO CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671906 633809829 /nfs/dbraw/zinc/80/98/29/633809829.db2.gz LADZZPAYFIBXII-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c(O)c1OC ZINC000893538321 634217320 /nfs/dbraw/zinc/21/73/20/634217320.db2.gz XGGLHOUXDQKZHO-SJORKVTESA-N 1 0 307.390 2.457 20 10 DECDRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921667290 634316957 /nfs/dbraw/zinc/31/69/57/634316957.db2.gz OHSGHYMJOQUQMQ-QGZVFWFLSA-N 1 0 304.434 2.212 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c(O)c1OC ZINC000893616984 635130656 /nfs/dbraw/zinc/13/06/56/635130656.db2.gz NOLKXKLNPPPDOV-HIFRSBDPSA-N 1 0 307.390 2.457 20 10 DECDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921769193 635170968 /nfs/dbraw/zinc/17/09/68/635170968.db2.gz BGOCHOJHUWKLHY-HOTGVXAUSA-N 1 0 323.458 2.457 20 10 DECDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C(C)C)C2)cc(OC)n1 ZINC000981198949 635362525 /nfs/dbraw/zinc/36/25/25/635362525.db2.gz METILCROGVPRPK-ZIAGYGMSSA-N 1 0 321.421 2.138 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000319754094 635401635 /nfs/dbraw/zinc/40/16/35/635401635.db2.gz SFFJVQMYVVPZGL-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981541314 635523118 /nfs/dbraw/zinc/52/31/18/635523118.db2.gz JXCHSYKTCGLDPU-ZIAGYGMSSA-N 1 0 317.393 2.500 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)c2ccsc2)c(O)c1OC ZINC000893654910 635708546 /nfs/dbraw/zinc/70/85/46/635708546.db2.gz LKGUXEVYQRHKLY-LBPRGKRZSA-N 1 0 309.387 2.294 20 10 DECDRO CN(C)C(=O)[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840957966 635730764 /nfs/dbraw/zinc/73/07/64/635730764.db2.gz NNIGUWCLIQZRHL-JFDDCEBESA-N 1 0 301.434 2.176 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000893677660 635756858 /nfs/dbraw/zinc/75/68/58/635756858.db2.gz XDKNCSJHBSCHRQ-DGCLKSJQSA-N 1 0 323.389 2.183 20 10 DECDRO c1cc2c(cc1C[NH2+][C@@H]1CCO[C@]3(CCOC3)C1)CCCO2 ZINC000921963165 635769506 /nfs/dbraw/zinc/76/95/06/635769506.db2.gz ZVQWIOJCTCTLJA-SJLPKXTDSA-N 1 0 303.402 2.439 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000840962986 635802718 /nfs/dbraw/zinc/80/27/18/635802718.db2.gz KEUSKYQFINYHIK-AWEZNQCLSA-N 1 0 305.349 2.406 20 10 DECDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)O1 ZINC000840964701 635818267 /nfs/dbraw/zinc/81/82/67/635818267.db2.gz VBIDQTRVQMXXNU-VYDXJSESSA-N 1 0 304.434 2.426 20 10 DECDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@H](O)C(F)(F)F ZINC000893702273 635924022 /nfs/dbraw/zinc/92/40/22/635924022.db2.gz BDFUUPHURHSFOD-NSHDSACASA-N 1 0 323.311 2.155 20 10 DECDRO CC(C)(CC[NH2+]Cc1ccc2c(c1)CCCO2)S(C)(=O)=O ZINC000922185649 635980268 /nfs/dbraw/zinc/98/02/68/635980268.db2.gz GYHCTEDDHMQABF-UHFFFAOYSA-N 1 0 311.447 2.315 20 10 DECDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CN1CC1CC1 ZINC000922338641 636106058 /nfs/dbraw/zinc/10/60/58/636106058.db2.gz LTUFLGJOXOFXEO-INIZCTEOSA-N 1 0 300.402 2.112 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922596724 636274299 /nfs/dbraw/zinc/27/42/99/636274299.db2.gz CDZFVJSRBLNRQO-UHFFFAOYSA-N 1 0 311.809 2.457 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1 ZINC000922611638 636281640 /nfs/dbraw/zinc/28/16/40/636281640.db2.gz MXVJNLHDOBVZSM-QGZVFWFLSA-N 1 0 309.406 2.465 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000922724475 636356001 /nfs/dbraw/zinc/35/60/01/636356001.db2.gz KBNHGPNVBSLKLX-ZCMCUDBQSA-N 1 0 302.418 2.159 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1O ZINC000894170577 636379805 /nfs/dbraw/zinc/37/98/05/636379805.db2.gz WFEMAALYOXGAMK-OAHLLOKOSA-N 1 0 313.401 2.455 20 10 DECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000186588324 636439281 /nfs/dbraw/zinc/43/92/81/636439281.db2.gz DYWHRJDJWIAINY-WMLDXEAASA-N 1 0 309.406 2.057 20 10 DECDRO COc1ccc(N2CC[C@@H](CNc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894268798 636626854 /nfs/dbraw/zinc/62/68/54/636626854.db2.gz MYTVLGWOORBWGP-ZDUSSCGKSA-N 1 0 313.405 2.314 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000894324720 636848055 /nfs/dbraw/zinc/84/80/55/636848055.db2.gz BBAQJYFHEXWWQG-CYBMUJFWSA-N 1 0 306.406 2.198 20 10 DECDRO CCOCc1cc(C[NH2+]CCO[C@H]2CCOC2)ccc1OC ZINC000922938201 636863853 /nfs/dbraw/zinc/86/38/53/636863853.db2.gz ARHHOEOTVIOBLQ-INIZCTEOSA-N 1 0 309.406 2.127 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1 ZINC000922992735 636901464 /nfs/dbraw/zinc/90/14/64/636901464.db2.gz YJYKWZGIBRWNEG-RGDDUWESSA-N 1 0 311.433 2.041 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923037207 636924501 /nfs/dbraw/zinc/92/45/01/636924501.db2.gz OCGCLDWCSVTCOX-QFBILLFUSA-N 1 0 314.429 2.324 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1O ZINC000894358655 636938311 /nfs/dbraw/zinc/93/83/11/636938311.db2.gz ICOJYAFWWCDEMA-OAHLLOKOSA-N 1 0 313.401 2.473 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CC[NH2+]1 ZINC000841857191 636942667 /nfs/dbraw/zinc/94/26/67/636942667.db2.gz NSTCJFZNKOAERK-GHMZBOCLSA-N 1 0 314.480 2.065 20 10 DECDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(O)c1OC ZINC000894446663 637042945 /nfs/dbraw/zinc/04/29/45/637042945.db2.gz SPCKNZDRFXJOME-DZGCQCFKSA-N 1 0 320.433 2.468 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@@H](C)OC)c2cc(F)ccc2n1C ZINC000894533088 637093288 /nfs/dbraw/zinc/09/32/88/637093288.db2.gz OWJMUFRTVRAQDU-SNVBAGLBSA-N 1 0 308.353 2.229 20 10 DECDRO CC[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894589117 637118453 /nfs/dbraw/zinc/11/84/53/637118453.db2.gz YEZNICTWYISLTM-XYPHTWIQSA-N 1 0 318.465 2.453 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894604764 637123264 /nfs/dbraw/zinc/12/32/64/637123264.db2.gz FTPCDVWNEROMKT-GFCCVEGCSA-N 1 0 324.421 2.051 20 10 DECDRO [NH3+]CC12CCC(CC1)CN2Cc1ccc(N2CCOCC2)cc1 ZINC000923392649 637161092 /nfs/dbraw/zinc/16/10/92/637161092.db2.gz KPGVDBRCWRVXLI-UHFFFAOYSA-N 1 0 315.461 2.227 20 10 DECDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](C)O ZINC000824921779 637281452 /nfs/dbraw/zinc/28/14/52/637281452.db2.gz QWIINHIWYZFQAG-KWQFWETISA-N 1 0 318.211 2.412 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nnc(C)s3)C2)cc1 ZINC000895006406 637367970 /nfs/dbraw/zinc/36/79/70/637367970.db2.gz PTCAXDAHYGHIHJ-CYBMUJFWSA-N 1 0 318.446 2.471 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000895008396 637380464 /nfs/dbraw/zinc/38/04/64/637380464.db2.gz WVWZHECAXLJAAI-CYBMUJFWSA-N 1 0 302.378 2.207 20 10 DECDRO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c(O)c1 ZINC000895070368 637484803 /nfs/dbraw/zinc/48/48/03/637484803.db2.gz PYJSGWJPACCRPL-UHFFFAOYSA-N 1 0 313.401 2.488 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C2(C(=O)NCCOC)CC2)cc1 ZINC000840823019 650362719 /nfs/dbraw/zinc/36/27/19/650362719.db2.gz RUCKWFIUNAQXIZ-AWEZNQCLSA-N 1 0 319.449 2.089 20 10 DECDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000839131756 637800207 /nfs/dbraw/zinc/80/02/07/637800207.db2.gz NDQRYQADYYWCEE-CALCHBBNSA-N 1 0 300.402 2.219 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000839138046 637802563 /nfs/dbraw/zinc/80/25/63/637802563.db2.gz HTLKQGBKHWRMQA-UHFFFAOYSA-N 1 0 302.418 2.136 20 10 DECDRO CCc1cccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000895342400 637948833 /nfs/dbraw/zinc/94/88/33/637948833.db2.gz GKPVFMSTLAJQIZ-INIZCTEOSA-N 1 0 317.433 2.334 20 10 DECDRO COCC[N@H+](CCC(=O)OC)Cc1c(O)cc(C)cc1Cl ZINC000840915155 650379537 /nfs/dbraw/zinc/37/95/37/650379537.db2.gz LMFUAQMSCZETRN-UHFFFAOYSA-N 1 0 315.797 2.366 20 10 DECDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000741259801 637957597 /nfs/dbraw/zinc/95/75/97/637957597.db2.gz BDFYDCAJGAEBLQ-QGZVFWFLSA-N 1 0 316.401 2.248 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000840939085 650390532 /nfs/dbraw/zinc/39/05/32/650390532.db2.gz JTRIUOYTVDGBHO-UHFFFAOYSA-N 1 0 303.406 2.135 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000840942950 650391396 /nfs/dbraw/zinc/39/13/96/650391396.db2.gz BOZSORUUPNVVES-WBVHZDCISA-N 1 0 308.466 2.309 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000840941718 650391807 /nfs/dbraw/zinc/39/18/07/650391807.db2.gz IYPDHDMXXWQSPN-UAGQMJEPSA-N 1 0 301.434 2.147 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000840948607 650393225 /nfs/dbraw/zinc/39/32/25/650393225.db2.gz VNSYETMVMWEUIQ-LPHOPBHVSA-N 1 0 317.477 2.356 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1F ZINC000840958771 650395236 /nfs/dbraw/zinc/39/52/36/650395236.db2.gz SCSNZOIZSRXZQD-UHFFFAOYSA-N 1 0 307.413 2.382 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000895695798 638153784 /nfs/dbraw/zinc/15/37/84/638153784.db2.gz GXLLXLDFTMAHMI-UHFFFAOYSA-N 1 0 307.390 2.172 20 10 DECDRO COc1ccc(C[N@H+](CCO)Cc2c(O)cccc2OC)cc1 ZINC000895711629 638157003 /nfs/dbraw/zinc/15/70/03/638157003.db2.gz RWXDAHWNWKXQJF-UHFFFAOYSA-N 1 0 317.385 2.404 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1Cl ZINC000895716614 638160543 /nfs/dbraw/zinc/16/05/43/638160543.db2.gz KBBRCANBARYAJE-ZDUSSCGKSA-N 1 0 308.809 2.455 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000841042961 650412878 /nfs/dbraw/zinc/41/28/78/650412878.db2.gz NEZROIPKSNQMLF-GOSISDBHSA-N 1 0 311.429 2.477 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(O)c1OC ZINC000896060543 638331648 /nfs/dbraw/zinc/33/16/48/638331648.db2.gz KNXXWVNFPQOYER-OCCSQVGLSA-N 1 0 307.390 2.410 20 10 DECDRO C[C@]1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC[NH2+]C1 ZINC000841057939 650416934 /nfs/dbraw/zinc/41/69/34/650416934.db2.gz SPELZBYQNRBKLQ-AWEZNQCLSA-N 1 0 313.785 2.433 20 10 DECDRO COCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH2+]CC1 ZINC000841067483 650420986 /nfs/dbraw/zinc/42/09/86/650420986.db2.gz AWGBMGWCVRKFRQ-UHFFFAOYSA-N 1 0 316.804 2.291 20 10 DECDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841076529 650423909 /nfs/dbraw/zinc/42/39/09/650423909.db2.gz HYAWRZHJZWJGHX-CHWSQXEVSA-N 1 0 306.410 2.410 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896395974 638501950 /nfs/dbraw/zinc/50/19/50/638501950.db2.gz WVLHXVWLCHZDKV-CXAGYDPISA-N 1 0 304.390 2.411 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896398163 638503103 /nfs/dbraw/zinc/50/31/03/638503103.db2.gz YPXFWQNXBZIVTL-YOEHRIQHSA-N 1 0 304.390 2.411 20 10 DECDRO CC(=O)N(C)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748077599 638505872 /nfs/dbraw/zinc/50/58/72/638505872.db2.gz JSDWLYGBAZOZPR-UHFFFAOYSA-N 1 0 313.401 2.383 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@]2(OC)CCSC2)cc1OC ZINC000896573610 638588966 /nfs/dbraw/zinc/58/89/66/638588966.db2.gz MQZOCJVVUPUCST-OAHLLOKOSA-N 1 0 313.419 2.021 20 10 DECDRO CNC(=O)C1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCCC1 ZINC000750044148 638706581 /nfs/dbraw/zinc/70/65/81/638706581.db2.gz FHOHKDCNLHWPCP-UHFFFAOYSA-N 1 0 324.808 2.397 20 10 DECDRO C[S@@](=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000751152788 639061646 /nfs/dbraw/zinc/06/16/46/639061646.db2.gz PBWKRCTXINISBD-JOCHJYFZSA-N 1 0 319.382 2.148 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000897261509 639295107 /nfs/dbraw/zinc/29/51/07/639295107.db2.gz HOUUPIMVUMMXNL-OAHLLOKOSA-N 1 0 321.417 2.297 20 10 DECDRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000753850433 639349464 /nfs/dbraw/zinc/34/94/64/639349464.db2.gz LWPUIHYLNBYFED-SHTZXODSSA-N 1 0 308.397 2.055 20 10 DECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000897345721 639524554 /nfs/dbraw/zinc/52/45/54/639524554.db2.gz NKWYMNPCLIDRSH-OAHLLOKOSA-N 1 0 307.413 2.286 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000755925834 639605464 /nfs/dbraw/zinc/60/54/64/639605464.db2.gz QZUKPSAGPYQSSA-BXUZGUMPSA-N 1 0 300.358 2.181 20 10 DECDRO CC[N@H+](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985813039 639649604 /nfs/dbraw/zinc/64/96/04/639649604.db2.gz CZVSIJSYDUKKML-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(F)ccc1O ZINC000756432801 639661991 /nfs/dbraw/zinc/66/19/91/639661991.db2.gz UIYLHXODWUKLFS-LLVKDONJSA-N 1 0 313.336 2.358 20 10 DECDRO COCCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756552150 639672900 /nfs/dbraw/zinc/67/29/00/639672900.db2.gz LTUXXXQZUCCJOE-MBNYWOFBSA-N 1 0 308.397 2.390 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000839672768 639800219 /nfs/dbraw/zinc/80/02/19/639800219.db2.gz YRXBCMIZGDAMPF-OAHLLOKOSA-N 1 0 322.474 2.399 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000757658653 639865548 /nfs/dbraw/zinc/86/55/48/639865548.db2.gz YXAAWKCUAOPDSA-YPMHNXCESA-N 1 0 313.419 2.019 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)c(O)c1OC ZINC000897388350 639940244 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CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000841762335 650559264 /nfs/dbraw/zinc/55/92/64/650559264.db2.gz WFYRCMQOKFCGES-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO COc1cc(Br)cc(C[N@H+](C)C2CC(O)C2)c1O ZINC000761222531 640287862 /nfs/dbraw/zinc/28/78/62/640287862.db2.gz KJZWCVIXKZDSJD-UHFFFAOYSA-N 1 0 316.195 2.118 20 10 DECDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841795729 650566282 /nfs/dbraw/zinc/56/62/82/650566282.db2.gz WJDBIIMLYULVDC-GJZGRUSLSA-N 1 0 318.465 2.373 20 10 DECDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841833068 650574778 /nfs/dbraw/zinc/57/47/78/650574778.db2.gz YYWXCEHPABGRBY-MRXNPFEDSA-N 1 0 316.449 2.380 20 10 DECDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000841855272 650581710 /nfs/dbraw/zinc/58/17/10/650581710.db2.gz JQQYZAXJCQDGTB-AWEZNQCLSA-N 1 0 308.397 2.319 20 10 DECDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857675 650582187 /nfs/dbraw/zinc/58/21/87/650582187.db2.gz 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ZINC000841890585 650594248 /nfs/dbraw/zinc/59/42/48/650594248.db2.gz CUVBUOXYDAWTHC-STQMWFEESA-N 1 0 312.841 2.241 20 10 DECDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765283189 640761701 /nfs/dbraw/zinc/76/17/01/640761701.db2.gz ZVLAONIAFSUDOZ-HOCLYGCPSA-N 1 0 321.440 2.407 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NCC[NH2+]C2CC2)C2CC2)cc1 ZINC000841930822 650605043 /nfs/dbraw/zinc/60/50/43/650605043.db2.gz XUHTVUVASKIMRW-UHFFFAOYSA-N 1 0 316.449 2.179 20 10 DECDRO Nc1ccc(CCNC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000841939696 650607227 /nfs/dbraw/zinc/60/72/27/650607227.db2.gz URNZFRRCFMTGDE-MRXNPFEDSA-N 1 0 304.438 2.018 20 10 DECDRO CC(C)([NH3+])CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841031586 640854710 /nfs/dbraw/zinc/85/47/10/640854710.db2.gz XHDHJZONPNYJOU-UHFFFAOYSA-N 1 0 306.410 2.412 20 10 DECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957235 650612787 /nfs/dbraw/zinc/61/27/87/650612787.db2.gz PSSRDXYYKBUWSL-UHFFFAOYSA-N 1 0 318.465 2.327 20 10 DECDRO C[NH+](C)CCN(C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841960524 650613449 /nfs/dbraw/zinc/61/34/49/650613449.db2.gz RSKMUPDCMOXGSD-UHFFFAOYSA-N 1 0 318.465 2.327 20 10 DECDRO CCC[NH2+]CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841961077 650614402 /nfs/dbraw/zinc/61/44/02/650614402.db2.gz JZRLNLQGTKUNJF-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766500353 640889151 /nfs/dbraw/zinc/88/91/51/640889151.db2.gz KHYGDNQIOPSBLL-XJKSGUPXSA-N 1 0 310.413 2.330 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841977629 650617983 /nfs/dbraw/zinc/61/79/83/650617983.db2.gz NPALRYFHBXIAOX-ZFWWWQNUSA-N 1 0 305.422 2.312 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841989670 650620956 /nfs/dbraw/zinc/62/09/56/650620956.db2.gz WDSMWTFKJOURSQ-DZGCQCFKSA-N 1 0 305.422 2.454 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2COCC[C@H]2OC)ccc1OC ZINC000897891335 640965473 /nfs/dbraw/zinc/96/54/73/640965473.db2.gz BHIQTYXDKRQQEL-NVXWUHKLSA-N 1 0 309.406 2.125 20 10 DECDRO COc1cc2c(cc1C[NH2+]CCc1ccc(N)cc1)OCO2 ZINC000841036541 640975377 /nfs/dbraw/zinc/97/53/77/640975377.db2.gz UQJIVOBYOORDMR-UHFFFAOYSA-N 1 0 300.358 2.338 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc1 ZINC000898061037 641013089 /nfs/dbraw/zinc/01/30/89/641013089.db2.gz KKPJCOKPNGLEGB-GOSISDBHSA-N 1 0 314.433 2.282 20 10 DECDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842004248 650625454 /nfs/dbraw/zinc/62/54/54/650625454.db2.gz JOFPNVJUZQAXHH-OLZOCXBDSA-N 1 0 304.438 2.162 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898205617 641046766 /nfs/dbraw/zinc/04/67/66/641046766.db2.gz GGTXACKTXKACKO-CYBMUJFWSA-N 1 0 300.196 2.405 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000768140094 641054217 /nfs/dbraw/zinc/05/42/17/641054217.db2.gz KGWAKVJTYSEJBV-CQSZACIVSA-N 1 0 318.421 2.379 20 10 DECDRO C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000768140092 641054341 /nfs/dbraw/zinc/05/43/41/641054341.db2.gz KGWAKVJTYSEJBV-AWEZNQCLSA-N 1 0 318.421 2.379 20 10 DECDRO OCCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768236845 641061115 /nfs/dbraw/zinc/06/11/15/641061115.db2.gz JCGJBCZLWOZMEX-UHFFFAOYSA-N 1 0 304.434 2.118 20 10 DECDRO CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768272381 641064895 /nfs/dbraw/zinc/06/48/95/641064895.db2.gz NYTDZRZUKIQLMZ-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(O)cc1C ZINC000768464513 641085248 /nfs/dbraw/zinc/08/52/48/641085248.db2.gz ASCPJWLLSSDIIO-CYBMUJFWSA-N 1 0 301.390 2.432 20 10 DECDRO CCCC(=O)NC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768883483 641139632 /nfs/dbraw/zinc/13/96/32/641139632.db2.gz XJXYMFJWUIENBU-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000770665100 641404534 /nfs/dbraw/zinc/40/45/34/641404534.db2.gz CRGUCZVXBWWJPP-UHFFFAOYSA-N 1 0 313.781 2.487 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CSCC[NH+](C)C)cc1 ZINC000730096517 641469302 /nfs/dbraw/zinc/46/93/02/641469302.db2.gz UBDYRVLTXBLWBG-UHFFFAOYSA-N 1 0 309.479 2.006 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000771633720 641532956 /nfs/dbraw/zinc/53/29/56/641532956.db2.gz PKLVSGYXAGRBRQ-CQSZACIVSA-N 1 0 324.446 2.171 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c(O)c1 ZINC000771938241 641575116 /nfs/dbraw/zinc/57/51/16/641575116.db2.gz HYNAPZRUMQGRIJ-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccnnc1 ZINC000924710334 641615646 /nfs/dbraw/zinc/61/56/46/641615646.db2.gz KFYRXRMUWPQJDA-CYBMUJFWSA-N 1 0 316.380 2.303 20 10 DECDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898435510 641659014 /nfs/dbraw/zinc/65/90/14/641659014.db2.gz BITBETNNGKDKOS-JGZJWPJOSA-N 1 0 320.414 2.383 20 10 DECDRO CC1(C)CC[N@H+](CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000898588297 641713181 /nfs/dbraw/zinc/71/31/81/641713181.db2.gz FMPXQKXFSRCVNG-UHFFFAOYSA-N 1 0 303.406 2.149 20 10 DECDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484711 641909024 /nfs/dbraw/zinc/90/90/24/641909024.db2.gz PUKFOTWULMGVIO-GJZGRUSLSA-N 1 0 321.465 2.335 20 10 DECDRO CCON(CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097499 641930874 /nfs/dbraw/zinc/93/08/74/641930874.db2.gz BJDQWZPHJYBIIH-INIZCTEOSA-N 1 0 322.453 2.338 20 10 DECDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H]1C ZINC000899104902 641936683 /nfs/dbraw/zinc/93/66/83/641936683.db2.gz SRZOQQFUZAXSID-CKEIUWERSA-N 1 0 318.465 2.405 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899098690 641940311 /nfs/dbraw/zinc/94/03/11/641940311.db2.gz RDISQGAMXJTZQY-DYVFJYSZSA-N 1 0 318.465 2.453 20 10 DECDRO COc1c(O)c(C[NH2+]Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000775015528 641993540 /nfs/dbraw/zinc/99/35/40/641993540.db2.gz IRJRWNURCIJGIM-UHFFFAOYSA-N 1 0 309.347 2.364 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000775059480 642001864 /nfs/dbraw/zinc/00/18/64/642001864.db2.gz QOBSXZIIVXMPIO-GFCCVEGCSA-N 1 0 310.350 2.044 20 10 DECDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1 ZINC000775259334 642023073 /nfs/dbraw/zinc/02/30/73/642023073.db2.gz HULIHPVXLHUWNU-GDBMZVCRSA-N 1 0 318.417 2.127 20 10 DECDRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000775484957 642051051 /nfs/dbraw/zinc/05/10/51/642051051.db2.gz LNUMITVVKUSFPI-GFCCVEGCSA-N 1 0 320.842 2.026 20 10 DECDRO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(N(C)C)cc1 ZINC000775835090 642103173 /nfs/dbraw/zinc/10/31/73/642103173.db2.gz FCZVNRXIJMBJME-LLVKDONJSA-N 1 0 304.419 2.498 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000775833455 642103279 /nfs/dbraw/zinc/10/32/79/642103279.db2.gz JJJHNJMSVUPKGV-AWEZNQCLSA-N 1 0 312.417 2.115 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000776221908 642145218 /nfs/dbraw/zinc/14/52/18/642145218.db2.gz XEPKJNAAFBNFDI-FZQKWOKYSA-N 1 0 308.809 2.453 20 10 DECDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000776901682 642216653 /nfs/dbraw/zinc/21/66/53/642216653.db2.gz MAMUFSKHGKJYRJ-STQMWFEESA-N 1 0 310.413 2.472 20 10 DECDRO Oc1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000842471175 650747495 /nfs/dbraw/zinc/74/74/95/650747495.db2.gz HQWKHLQSZVRTPI-DOTOQJQBSA-N 1 0 304.434 2.373 20 10 DECDRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(C)n1-c1ccccn1 ZINC000842512920 650758124 /nfs/dbraw/zinc/75/81/24/650758124.db2.gz KJVDJZNYJILLFN-LJQANCHMSA-N 1 0 324.428 2.457 20 10 DECDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@@H+]1CCCC[C@H]1C ZINC000779497678 642505202 /nfs/dbraw/zinc/50/52/02/642505202.db2.gz OJRPTCALXIBMPW-QPJKDDTCSA-N 1 0 318.417 2.490 20 10 DECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779506608 642506189 /nfs/dbraw/zinc/50/61/89/642506189.db2.gz REBBYHRXULTWQZ-VURMDHGXSA-N 1 0 318.417 2.444 20 10 DECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1O)CCC2 ZINC000780480425 642630411 /nfs/dbraw/zinc/63/04/11/642630411.db2.gz MKNJNKQXGDMNMX-AWEZNQCLSA-N 1 0 318.461 2.158 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC000781048953 642707061 /nfs/dbraw/zinc/70/70/61/642707061.db2.gz MMPOHTYAYZSQDB-UHFFFAOYSA-N 1 0 308.385 2.050 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000783729115 643043736 /nfs/dbraw/zinc/04/37/36/643043736.db2.gz MBDFRVMUYWBLIZ-GOSISDBHSA-N 1 0 317.477 2.031 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842720042 650810524 /nfs/dbraw/zinc/81/05/24/650810524.db2.gz AQDHSQLETZODPF-AWEZNQCLSA-N 1 0 306.406 2.280 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)[C@@H](O)CO2 ZINC000783969118 643072984 /nfs/dbraw/zinc/07/29/84/643072984.db2.gz SZOVDDWHMOBTKE-IRXDYDNUSA-N 1 0 319.401 2.209 20 10 DECDRO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)c(O)cc1C ZINC000902610457 643084193 /nfs/dbraw/zinc/08/41/93/643084193.db2.gz TYQVKARIBYTADZ-JKSUJKDBSA-N 1 0 321.417 2.479 20 10 DECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000842753023 650817229 /nfs/dbraw/zinc/81/72/29/650817229.db2.gz BGLCNIDGQFIDSJ-NVXWUHKLSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000903024066 643229283 /nfs/dbraw/zinc/22/92/83/643229283.db2.gz KDWGEOPZLRDRIY-UONOGXRCSA-N 1 0 301.438 2.471 20 10 DECDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903329238 643322833 /nfs/dbraw/zinc/32/28/33/643322833.db2.gz QRYSOCCOUJKKFS-VQCLRJIVSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccn1C ZINC000903448608 643354897 /nfs/dbraw/zinc/35/48/97/643354897.db2.gz QRYZUOAXLKNNHC-RHSMWYFYSA-N 1 0 315.465 2.440 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnnn2CC2CC2)c(O)c1 ZINC000788752547 643642267 /nfs/dbraw/zinc/64/22/67/643642267.db2.gz FMLYDWKTRZESBP-LBPRGKRZSA-N 1 0 301.394 2.256 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905122746 643797266 /nfs/dbraw/zinc/79/72/66/643797266.db2.gz UROFAGBMPAWMQG-SFHVURJKSA-N 1 0 320.477 2.454 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000790385883 643845987 /nfs/dbraw/zinc/84/59/87/643845987.db2.gz FHAXYKHYOKQUGA-IYOUNJFTSA-N 1 0 321.417 2.478 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c(O)c1 ZINC000790618920 643873947 /nfs/dbraw/zinc/87/39/47/643873947.db2.gz LDINLIMRNIEBGK-CZUORRHYSA-N 1 0 311.422 2.039 20 10 DECDRO CC[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000791004046 643919245 /nfs/dbraw/zinc/91/92/45/643919245.db2.gz RFFSRLRLEAGRNP-KRWDZBQOSA-N 1 0 308.397 2.321 20 10 DECDRO Cn1ccc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000905721589 644020328 /nfs/dbraw/zinc/02/03/28/644020328.db2.gz HYKQJEVDKBFICL-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO C[C@@H](NC(=O)NCC[N@H+]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000793166441 644200045 /nfs/dbraw/zinc/20/00/45/644200045.db2.gz GUIYLDDBKBWNGQ-OAHLLOKOSA-N 1 0 316.449 2.375 20 10 DECDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000794694283 644461417 /nfs/dbraw/zinc/46/14/17/644461417.db2.gz MNUZPACNOBWNAB-MAUKXSAKSA-N 1 0 321.417 2.479 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000843299439 650944627 /nfs/dbraw/zinc/94/46/27/650944627.db2.gz UISNOKXRLIEANW-RYUDHWBXSA-N 1 0 316.232 2.062 20 10 DECDRO Cc1cc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)on1 ZINC000843350703 650954982 /nfs/dbraw/zinc/95/49/82/650954982.db2.gz WYVDXNTZDKFCRE-LBPRGKRZSA-N 1 0 314.389 2.222 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3cnccc3C)CC2)c1 ZINC000798962250 645104028 /nfs/dbraw/zinc/10/40/28/645104028.db2.gz OEOCMUFCIDZAHI-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000843488183 650983557 /nfs/dbraw/zinc/98/35/57/650983557.db2.gz TYJWZHZKQXWWBT-AEFFLSMTSA-N 1 0 301.434 2.101 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1F ZINC000800291567 645250973 /nfs/dbraw/zinc/25/09/73/645250973.db2.gz CGOLVDQGUUIXHZ-LBPRGKRZSA-N 1 0 313.392 2.236 20 10 DECDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000912808007 646172291 /nfs/dbraw/zinc/17/22/91/646172291.db2.gz SDGFRYTZQBYUDT-OCCSQVGLSA-N 1 0 306.406 2.290 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1C ZINC000809611065 646247114 /nfs/dbraw/zinc/24/71/14/646247114.db2.gz PRMSFWRWWAKBHL-UHFFFAOYSA-N 1 0 319.380 2.307 20 10 DECDRO Cc1cnn(C)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000809640362 646255328 /nfs/dbraw/zinc/25/53/28/646255328.db2.gz XEDNPNZZIHUPRL-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(O)c1 ZINC000809687126 646263172 /nfs/dbraw/zinc/26/31/72/646263172.db2.gz UJWIINWUILMSON-KRWDZBQOSA-N 1 0 307.390 2.172 20 10 DECDRO C[C@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809746500 646275248 /nfs/dbraw/zinc/27/52/48/646275248.db2.gz VXJJVNKAJJLAKY-CYBMUJFWSA-N 1 0 307.394 2.398 20 10 DECDRO NC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000810158630 646333784 /nfs/dbraw/zinc/33/37/84/646333784.db2.gz RMYSVYSKLIJSIU-UHFFFAOYSA-N 1 0 304.777 2.363 20 10 DECDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1c1ccccc1F ZINC000812782687 646694413 /nfs/dbraw/zinc/69/44/13/646694413.db2.gz DJEOYDUIEGQZAF-ZDUSSCGKSA-N 1 0 300.333 2.426 20 10 DECDRO CCC[N@H+](C)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000730283259 646889669 /nfs/dbraw/zinc/88/96/69/646889669.db2.gz HZFNOENVKXVUGF-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO Cc1cc(CN2CCC[C@@H](S(C)(=O)=O)C2)ccc1N(C)C ZINC000815092463 646966301 /nfs/dbraw/zinc/96/63/01/646966301.db2.gz HTPYAHNARLOGEL-OAHLLOKOSA-N 1 0 310.463 2.070 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1N(C)C ZINC000815099852 646968080 /nfs/dbraw/zinc/96/80/80/646968080.db2.gz GGZMPQXXOGGDNE-YQQAZPJKSA-N 1 0 301.434 2.147 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000815111984 646971611 /nfs/dbraw/zinc/97/16/11/646971611.db2.gz JADXIZZZLVSZJQ-MRXNPFEDSA-N 1 0 317.433 2.030 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1 ZINC000815601576 647034687 /nfs/dbraw/zinc/03/46/87/647034687.db2.gz ZDFQAKRIQZPFJE-SQWLQELKSA-N 1 0 320.433 2.295 20 10 DECDRO O=C(C[NH2+]Cc1ccc2ccccc2c1O)NCC(F)(F)F ZINC000816544468 647149970 /nfs/dbraw/zinc/14/99/70/647149970.db2.gz JMQJLBYEFTZVQV-UHFFFAOYSA-N 1 0 312.291 2.314 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816666645 647165594 /nfs/dbraw/zinc/16/55/94/647165594.db2.gz SIUZAKHCJFUIKI-ROUUACIJSA-N 1 0 321.417 2.201 20 10 DECDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000914180838 647207111 /nfs/dbraw/zinc/20/71/11/647207111.db2.gz XWLNGXIKJAKKJF-RHSMWYFYSA-N 1 0 316.449 2.179 20 10 DECDRO Cc1nn(C)cc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939003 647388235 /nfs/dbraw/zinc/38/82/35/647388235.db2.gz XIJJQCULGLNTCI-YVEFUNNKSA-N 1 0 301.438 2.145 20 10 DECDRO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817943335 647389647 /nfs/dbraw/zinc/38/96/47/647389647.db2.gz UNYRWZLWVHAERJ-HZPDHXFCSA-N 1 0 301.438 2.227 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000817981361 647399531 /nfs/dbraw/zinc/39/95/31/647399531.db2.gz RLIUWYHJUJQEDV-JSGCOSHPSA-N 1 0 306.406 2.362 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c[nH]nc3C)C2)cc1 ZINC000818219086 647434903 /nfs/dbraw/zinc/43/49/03/647434903.db2.gz BHMGVXHESWPGJO-AWEZNQCLSA-N 1 0 300.406 2.343 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC(O)CC3)C2)cc1 ZINC000818341611 647456893 /nfs/dbraw/zinc/45/68/93/647456893.db2.gz BRUCLTAQMOWANE-HPUBIQBYSA-N 1 0 304.434 2.415 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000818361672 647458081 /nfs/dbraw/zinc/45/80/81/647458081.db2.gz MNEGLNLFRBZGAJ-CABZTGNLSA-N 1 0 310.781 2.152 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccco2)cc1 ZINC000818941575 647544371 /nfs/dbraw/zinc/54/43/71/647544371.db2.gz LEYGKNNVEHASOQ-INIZCTEOSA-N 1 0 304.390 2.013 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)C2)cc1 ZINC000819380630 647647115 /nfs/dbraw/zinc/64/71/15/647647115.db2.gz QYGCNXQGLOTDKJ-FZMZJTMJSA-N 1 0 318.339 2.034 20 10 DECDRO C[C@@H]1[C@H](NC(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000921447741 648318711 /nfs/dbraw/zinc/31/87/11/648318711.db2.gz RJGRRIFVPZRPQW-GHMZBOCLSA-N 1 0 314.480 2.017 20 10 DECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179891195 648430653 /nfs/dbraw/zinc/43/06/53/648430653.db2.gz OGGOFUWVWBXEMM-QGZVFWFLSA-N 1 0 318.417 2.051 20 10 DECDRO [NH3+]C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1 ZINC000237931638 648448288 /nfs/dbraw/zinc/44/82/88/648448288.db2.gz WPEIRFXHKDVSJQ-UHFFFAOYSA-N 1 0 319.474 2.128 20 10 DECDRO CCn1nnc(C)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000824161653 648537591 /nfs/dbraw/zinc/53/75/91/648537591.db2.gz OLIQJHNASNLGFH-UHFFFAOYSA-N 1 0 317.437 2.183 20 10 DECDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc2ccccc2c1O ZINC000181232537 648587819 /nfs/dbraw/zinc/58/78/19/648587819.db2.gz XSZXFJMMPAJNDT-ZDUSSCGKSA-N 1 0 314.385 2.055 20 10 DECDRO C[NH+](C)CC1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181247066 648592174 /nfs/dbraw/zinc/59/21/74/648592174.db2.gz SITCFWPCLQGDLO-UXBLZVDNSA-N 1 0 318.417 2.348 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824474445 648594160 /nfs/dbraw/zinc/59/41/60/648594160.db2.gz ORKAYVFNOJEGJL-SNVBAGLBSA-N 1 0 300.196 2.359 20 10 DECDRO C[N@H+](CCn1cccn1)Cc1ccc(Br)cc1O ZINC000824801963 648654614 /nfs/dbraw/zinc/65/46/14/648654614.db2.gz HKHSKORIFZHXJP-UHFFFAOYSA-N 1 0 310.195 2.483 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1OC ZINC000824845074 648661095 /nfs/dbraw/zinc/66/10/95/648661095.db2.gz HHMLCYSMZOOWMT-KBXCAEBGSA-N 1 0 321.417 2.296 20 10 DECDRO OC[C@@H]([C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1)C1CC1 ZINC000824845133 648661106 /nfs/dbraw/zinc/66/11/06/648661106.db2.gz IFAOYOZOCUUERU-CXAGYDPISA-N 1 0 305.374 2.008 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000825068466 648696806 /nfs/dbraw/zinc/69/68/06/648696806.db2.gz PZJTXQJJEOHFPK-VIFPVBQESA-N 1 0 315.211 2.077 20 10 DECDRO CCO[C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000825197165 648723947 /nfs/dbraw/zinc/72/39/47/648723947.db2.gz TYHCYWKQTBBZMY-QZTJIDSGSA-N 1 0 320.433 2.058 20 10 DECDRO COC(=O)c1oc(C[NH2+]Cc2ccc(OC)cc2O)cc1C ZINC000825753927 648808981 /nfs/dbraw/zinc/80/89/81/648808981.db2.gz XBXXTZWIWBWAHY-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2CCO)cc1Cl ZINC000826036794 648841443 /nfs/dbraw/zinc/84/14/43/648841443.db2.gz OWLQMQUTBISGEI-CQSZACIVSA-N 1 0 312.841 2.290 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826511110 648870281 /nfs/dbraw/zinc/87/02/81/648870281.db2.gz CIADZRPOAUBLAK-UHFFFAOYSA-N 1 0 317.299 2.140 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1Cl ZINC000826534923 648874288 /nfs/dbraw/zinc/87/42/88/648874288.db2.gz MZGPVLHXDVFARW-LLVKDONJSA-N 1 0 306.797 2.130 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000826902373 648944598 /nfs/dbraw/zinc/94/45/98/648944598.db2.gz JZKCQMUAAUDDMT-XNRPHZJLSA-N 1 0 309.406 2.057 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000827133665 648978289 /nfs/dbraw/zinc/97/82/89/648978289.db2.gz WAYFTNBQPNVZGO-YPZLONQISA-N 1 0 313.445 2.366 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(Cl)c1 ZINC000827131971 648978520 /nfs/dbraw/zinc/97/85/20/648978520.db2.gz HOJQZVUJZNLUKE-RISCZKNCSA-N 1 0 308.809 2.455 20 10 DECDRO OCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000827147429 648981783 /nfs/dbraw/zinc/98/17/83/648981783.db2.gz RILAYVKILAGVJA-UHFFFAOYSA-N 1 0 313.397 2.378 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1Cl ZINC000827164763 648984642 /nfs/dbraw/zinc/98/46/42/648984642.db2.gz MOVDWAKBXKZISF-ZYHUDNBSSA-N 1 0 317.838 2.409 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000827229580 648997143 /nfs/dbraw/zinc/99/71/43/648997143.db2.gz IFWVTMFRGDZRNN-UHFFFAOYSA-N 1 0 315.410 2.368 20 10 DECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000827340931 649018880 /nfs/dbraw/zinc/01/88/80/649018880.db2.gz VTMYDPISRAMYIU-UHFFFAOYSA-N 1 0 300.786 2.484 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000827661610 649063420 /nfs/dbraw/zinc/06/34/20/649063420.db2.gz CNZCUOMEEZSLHY-APWZRJJASA-N 1 0 316.445 2.305 20 10 DECDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000827751729 649080787 /nfs/dbraw/zinc/08/07/87/649080787.db2.gz WPWAIVRCZZVSOH-DOTOQJQBSA-N 1 0 321.373 2.332 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)[C@@H](O)C3)cc2)CC1 ZINC000828597764 649200751 /nfs/dbraw/zinc/20/07/51/649200751.db2.gz OANBTBCRTVRFSP-KDOFPFPSSA-N 1 0 304.434 2.114 20 10 DECDRO C[C@H](C1CC1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000071950748 649244515 /nfs/dbraw/zinc/24/45/15/649244515.db2.gz SNTUCYNJXCOTHM-CQSZACIVSA-N 1 0 303.450 2.441 20 10 DECDRO CC(C)[NH2+]CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829004013 649258100 /nfs/dbraw/zinc/25/81/00/649258100.db2.gz 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ZINC000832267031 649690582 /nfs/dbraw/zinc/69/05/82/649690582.db2.gz LRBADUUIMKOUGG-KBRIMQKVSA-N 1 0 319.449 2.216 20 10 DECDRO COc1ccsc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272284 649691010 /nfs/dbraw/zinc/69/10/10/649691010.db2.gz DQLKVTUOAULGGO-CYBMUJFWSA-N 1 0 319.430 2.253 20 10 DECDRO CC(C)c1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000832279843 649691919 /nfs/dbraw/zinc/69/19/19/649691919.db2.gz LICBGERERCXIPK-AWEZNQCLSA-N 1 0 316.405 2.294 20 10 DECDRO COc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832286017 649692312 /nfs/dbraw/zinc/69/23/12/649692312.db2.gz VKXKKHNOXIUEQV-KRWDZBQOSA-N 1 0 313.401 2.191 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+]CC2(C)C)c(C)n1-c1ccccn1 ZINC000844166120 651085555 /nfs/dbraw/zinc/08/55/55/651085555.db2.gz OLRKHUIXLWATOA-UHFFFAOYSA-N 1 0 312.417 2.313 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCCN3C)CC2)cc1 ZINC000844278257 651103418 /nfs/dbraw/zinc/10/34/18/651103418.db2.gz GHJYCSBPAVBIKP-QGZVFWFLSA-N 1 0 303.450 2.302 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000844781640 651169728 /nfs/dbraw/zinc/16/97/28/651169728.db2.gz JNLBWXPZDSIFPT-UHFFFAOYSA-N 1 0 318.465 2.380 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000845005451 651192401 /nfs/dbraw/zinc/19/24/01/651192401.db2.gz XTZRRQUYKVRGBJ-CQSZACIVSA-N 1 0 323.824 2.329 20 10 DECDRO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1=CC[N@H+](C)CC1 ZINC000845101975 651203877 /nfs/dbraw/zinc/20/38/77/651203877.db2.gz POHWFZAMTZLVNB-LLVKDONJSA-N 1 0 323.824 2.495 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N(C)C)n2C)c1 ZINC000845972265 651298688 /nfs/dbraw/zinc/29/86/88/651298688.db2.gz QDDZLHBPMSUPEG-LLVKDONJSA-N 1 0 304.394 2.051 20 10 DECDRO CCn1cncc1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846052785 651304594 /nfs/dbraw/zinc/30/45/94/651304594.db2.gz SOUVVUPYDTUINH-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000846165665 651312247 /nfs/dbraw/zinc/31/22/47/651312247.db2.gz QIXMPADDMJEDPL-IUODEOHRSA-N 1 0 309.406 2.229 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000846165668 651312571 /nfs/dbraw/zinc/31/25/71/651312571.db2.gz QIXMPADDMJEDPL-WFASDCNBSA-N 1 0 309.406 2.229 20 10 DECDRO C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000847405227 651394176 /nfs/dbraw/zinc/39/41/76/651394176.db2.gz CETBMGYYSPLHMB-CYBMUJFWSA-N 1 0 312.417 2.287 20 10 DECDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556902 651470200 /nfs/dbraw/zinc/47/02/00/651470200.db2.gz DBMRNURJUGAWDL-AYDFFVQHSA-N 1 0 304.434 2.467 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Cl)ccc1O ZINC000848565509 651472151 /nfs/dbraw/zinc/47/21/51/651472151.db2.gz XWVCPCLIOULSFK-GXSJLCMTSA-N 1 0 306.797 2.382 20 10 DECDRO CCc1cccc(C[N@H+](CCC(=O)OC)C2CCOCC2)c1O ZINC000848889618 651546580 /nfs/dbraw/zinc/54/65/80/651546580.db2.gz NFGCRHAOKZDSTL-UHFFFAOYSA-N 1 0 321.417 2.499 20 10 DECDRO CCc1cccc(C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)c1O ZINC000848887562 651547014 /nfs/dbraw/zinc/54/70/14/651547014.db2.gz ZBRZKPZSOFHLKC-INIZCTEOSA-N 1 0 321.417 2.499 20 10 DECDRO C[C@H](O)C[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000848928566 651564857 /nfs/dbraw/zinc/56/48/57/651564857.db2.gz HOHQSYHHUQBHLV-VIFPVBQESA-N 1 0 300.196 2.500 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848929847 651565260 /nfs/dbraw/zinc/56/52/60/651565260.db2.gz KFQASHLRPDIRHX-INIZCTEOSA-N 1 0 303.406 2.134 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855161624 651637330 /nfs/dbraw/zinc/63/73/30/651637330.db2.gz AKYHAVPMBZYBFI-VUDGCMKMSA-N 1 0 304.390 2.100 20 10 DECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000850072986 651820323 /nfs/dbraw/zinc/82/03/23/651820323.db2.gz SOHFTDROQSHHEW-ZBFHGGJFSA-N 1 0 322.424 2.444 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(Cl)n3C)C2)cc1 ZINC000850347373 651905870 /nfs/dbraw/zinc/90/58/70/651905870.db2.gz RHKVSANOXOHTEM-LBPRGKRZSA-N 1 0 320.824 2.451 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1O ZINC000850353369 651909009 /nfs/dbraw/zinc/90/90/09/651909009.db2.gz BDJYKQPGCGCAJM-VHDGCEQUSA-N 1 0 309.406 2.057 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CS1(=O)=O ZINC000850368740 651913749 /nfs/dbraw/zinc/91/37/49/651913749.db2.gz PJTICMPFRUUHHI-SKDRFNHKSA-N 1 0 303.811 2.101 20 10 DECDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000850396253 651919364 /nfs/dbraw/zinc/91/93/64/651919364.db2.gz IFZPAYBZGGABOQ-AWEZNQCLSA-N 1 0 302.418 2.358 20 10 DECDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000850494869 651939669 /nfs/dbraw/zinc/93/96/69/651939669.db2.gz YNYNEDHVRUQXNL-WBMJQRKESA-N 1 0 309.406 2.493 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000850559103 651952804 /nfs/dbraw/zinc/95/28/04/651952804.db2.gz XIJPMMUULKBMDQ-NSHDSACASA-N 1 0 313.419 2.019 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnccn1 ZINC000850565168 651953995 /nfs/dbraw/zinc/95/39/95/651953995.db2.gz BUZMLIQTMWNJFC-CQSZACIVSA-N 1 0 312.417 2.289 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnccn1 ZINC000850565167 651954029 /nfs/dbraw/zinc/95/40/29/651954029.db2.gz BUZMLIQTMWNJFC-AWEZNQCLSA-N 1 0 312.417 2.289 20 10 DECDRO COc1ccc(O)c(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000114544397 651961835 /nfs/dbraw/zinc/96/18/35/651961835.db2.gz WZQMSTQSVHNGPS-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO C[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1O ZINC000110032035 652154388 /nfs/dbraw/zinc/15/43/88/652154388.db2.gz TWPPLDOTBWWHEN-UHFFFAOYSA-N 1 0 302.349 2.280 20 10 DECDRO Nc1ccc(CC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000851646582 652197881 /nfs/dbraw/zinc/19/78/81/652197881.db2.gz YDOPHWKPKAUFBR-QGZVFWFLSA-N 1 0 311.385 2.111 20 10 DECDRO COC[C@](C)(O)CC[NH2+]Cc1c(O)cccc1Br ZINC000858170764 652271101 /nfs/dbraw/zinc/27/11/01/652271101.db2.gz OEXXGGJLGXGQGR-CYBMUJFWSA-N 1 0 318.211 2.032 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000858197035 652276402 /nfs/dbraw/zinc/27/64/02/652276402.db2.gz ABACHPDABLVKHO-UHFFFAOYSA-N 1 0 305.422 2.374 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000858239774 652287282 /nfs/dbraw/zinc/28/72/82/652287282.db2.gz SYUPSXDBFYMENG-UHFFFAOYSA-N 1 0 306.387 2.492 20 10 DECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858257469 652290737 /nfs/dbraw/zinc/29/07/37/652290737.db2.gz MGXRDWIGEMFARZ-SJORKVTESA-N 1 0 308.397 2.319 20 10 DECDRO COc1cc(C[NH2+]C[C@@H]2COCCN2C)c(O)c(C(C)(C)C)c1 ZINC000858277780 652296054 /nfs/dbraw/zinc/29/60/54/652296054.db2.gz MPYSBWPRFJBRGK-CQSZACIVSA-N 1 0 322.449 2.119 20 10 DECDRO CN1CCCN(C(=O)C=C2CC[NH2+]CC2)c2ccc(F)cc21 ZINC000852870738 652473201 /nfs/dbraw/zinc/47/32/01/652473201.db2.gz QVSFJMBHAUDGQS-UHFFFAOYSA-N 1 0 303.381 2.308 20 10 DECDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000853248417 652529749 /nfs/dbraw/zinc/52/97/49/652529749.db2.gz GBGFOUQHYYTJFO-CYBMUJFWSA-N 1 0 306.410 2.283 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1 ZINC000853595571 652575539 /nfs/dbraw/zinc/57/55/39/652575539.db2.gz QCYUCRHKIHVPEX-HNNXBMFYSA-N 1 0 302.418 2.453 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000853626270 652580344 /nfs/dbraw/zinc/58/03/44/652580344.db2.gz RJLMADGYRYJPMQ-UHFFFAOYSA-N 1 0 315.373 2.261 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000853748858 652598030 /nfs/dbraw/zinc/59/80/30/652598030.db2.gz JURVZQXYPVIFOY-CQSZACIVSA-N 1 0 306.454 2.200 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cnccc3N)C2)cc1 ZINC000854216664 652658753 /nfs/dbraw/zinc/65/87/53/652658753.db2.gz CBGAIEUOTDONHH-KGLIPLIRSA-N 1 0 312.417 2.432 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000858494554 685551082 /nfs/dbraw/zinc/55/10/82/685551082.db2.gz KPIVIJPYPIEATD-NQMVMOMDSA-N 1 0 313.195 2.069 20 10 DECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000858580008 685560807 /nfs/dbraw/zinc/56/08/07/685560807.db2.gz JFKFBUAURTVNDU-UWVGGRQHSA-N 1 0 300.786 2.413 20 10 DECDRO Cc1cc(CC(=O)NC[C@@H]2CC[N@H+]2C)c(C)n1-c1ccccc1 ZINC000928550963 693800691 /nfs/dbraw/zinc/80/06/91/693800691.db2.gz JVHCRHIYCLUXKS-SFHVURJKSA-N 1 0 311.429 2.457 20 10 DECDRO CCOc1cccc(C[N@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)c1O ZINC000093478934 684050150 /nfs/dbraw/zinc/05/01/50/684050150.db2.gz ISUOVYRTMFXLSE-GASCZTMLSA-N 1 0 322.449 2.332 20 10 DECDRO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000116342759 684064972 /nfs/dbraw/zinc/06/49/72/684064972.db2.gz ZFYAKZQVIGCVHI-NVXWUHKLSA-N 1 0 308.397 2.055 20 10 DECDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000188645425 684359650 /nfs/dbraw/zinc/35/96/50/684359650.db2.gz BCQRNURBIGLJDE-LBPRGKRZSA-N 1 0 322.405 2.357 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246084833 685122915 /nfs/dbraw/zinc/12/29/15/685122915.db2.gz CELWHRVOXYKBHQ-UKRRQHHQSA-N 1 0 309.431 2.416 20 10 DECDRO C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861684608 686169330 /nfs/dbraw/zinc/16/93/30/686169330.db2.gz GSVHVRSXBMFNGL-ZFWWWQNUSA-N 1 0 304.438 2.035 20 10 DECDRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)n1-c1ccccn1 ZINC000861909331 686204439 /nfs/dbraw/zinc/20/44/39/686204439.db2.gz HRUQTQUJYRKTFS-VQFNDLOPSA-N 1 0 324.428 2.121 20 10 DECDRO COc1cccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862433243 686302055 /nfs/dbraw/zinc/30/20/55/686302055.db2.gz UHSYFRHATAZNMS-KRWDZBQOSA-N 1 0 303.358 2.104 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000863298165 686471625 /nfs/dbraw/zinc/47/16/25/686471625.db2.gz SQRFGSMVGWBLDT-GOSISDBHSA-N 1 0 319.401 2.035 20 10 DECDRO COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863541356 686518349 /nfs/dbraw/zinc/51/83/49/686518349.db2.gz HPOMYOHJHQIZCN-XHDPSFHLSA-N 1 0 304.390 2.114 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])NCCC3CC3)C2)cc1 ZINC000864468588 686731223 /nfs/dbraw/zinc/73/12/23/686731223.db2.gz GSGPNJJZNPNZAR-OAHLLOKOSA-N 1 0 316.449 2.436 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC000865682517 687300119 /nfs/dbraw/zinc/30/01/19/687300119.db2.gz NJQTWFNCKQGYQT-LBPRGKRZSA-N 1 0 300.284 2.185 20 10 DECDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000865737897 687317790 /nfs/dbraw/zinc/31/77/90/687317790.db2.gz HEBCRDLPQHGPLQ-DYVFJYSZSA-N 1 0 320.458 2.216 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868364653 687991876 /nfs/dbraw/zinc/99/18/76/687991876.db2.gz ARPFTBMVKLFXKW-KGLIPLIRSA-N 1 0 305.422 2.484 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccon2)[NH+](C)C)cc1 ZINC000930653186 694211087 /nfs/dbraw/zinc/21/10/87/694211087.db2.gz UKMGAPVTLHQCHV-CQSZACIVSA-N 1 0 317.393 2.165 20 10 DECDRO CN1CCCc2cc(CNC(=O)CCC34CC(C3)C[NH2+]4)ccc21 ZINC000870875561 688674783 /nfs/dbraw/zinc/67/47/83/688674783.db2.gz GJKOTVOQJMPJAZ-UHFFFAOYSA-N 1 0 313.445 2.217 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870949877 688693148 /nfs/dbraw/zinc/69/31/48/688693148.db2.gz STMICEXRSGWKKD-SHTZXODSSA-N 1 0 319.449 2.107 20 10 DECDRO COc1ccc(C[NH2+]CC2CCOCC2)cc1Cn1cccn1 ZINC000873031764 689144875 /nfs/dbraw/zinc/14/48/75/689144875.db2.gz ZKDKBCUIBCJJTL-UHFFFAOYSA-N 1 0 315.417 2.456 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(C)C)cc1Cn1cccn1 ZINC000873036332 689145988 /nfs/dbraw/zinc/14/59/88/689145988.db2.gz WEAUOFAVYMLDDG-UHFFFAOYSA-N 1 0 316.449 2.370 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1Cn1cccn1 ZINC000873109569 689160007 /nfs/dbraw/zinc/16/00/07/689160007.db2.gz YDMXTVOGHLLBME-IRXDYDNUSA-N 1 0 315.417 2.189 20 10 DECDRO CN(C)c1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1F ZINC000874251468 689377542 /nfs/dbraw/zinc/37/75/42/689377542.db2.gz KRMDCMWSMSZYJE-UHFFFAOYSA-N 1 0 319.424 2.384 20 10 DECDRO C[NH+](C)C1(CNC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000874997397 689555388 /nfs/dbraw/zinc/55/53/88/689555388.db2.gz PYEWUCWCQMJCBU-UHFFFAOYSA-N 1 0 303.406 2.292 20 10 DECDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875099138 689571593 /nfs/dbraw/zinc/57/15/93/689571593.db2.gz IMQLYTCDIDYXEZ-AWEZNQCLSA-N 1 0 305.422 2.394 20 10 DECDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875872968 689708179 /nfs/dbraw/zinc/70/81/79/689708179.db2.gz LAPMCVXRVOYYKV-OAHLLOKOSA-N 1 0 315.417 2.434 20 10 DECDRO CCCc1nc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)co1 ZINC000876506914 689841989 /nfs/dbraw/zinc/84/19/89/689841989.db2.gz QLOPEVRNHGYWOQ-AWEZNQCLSA-N 1 0 316.405 2.123 20 10 DECDRO CCCC[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876528635 689847421 /nfs/dbraw/zinc/84/74/21/689847421.db2.gz TZUHHGJLPIKZNO-UHFFFAOYSA-N 1 0 306.450 2.242 20 10 DECDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876740275 689922736 /nfs/dbraw/zinc/92/27/36/689922736.db2.gz KJUBVMPIAOIDID-INIZCTEOSA-N 1 0 303.450 2.449 20 10 DECDRO CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001034681015 689925601 /nfs/dbraw/zinc/92/56/01/689925601.db2.gz PQZIDFAXNJOOSJ-HDJSIYSDSA-N 1 0 321.421 2.139 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC000876763276 689929733 /nfs/dbraw/zinc/92/97/33/689929733.db2.gz JROQLXBPGPVDMM-IRXDYDNUSA-N 1 0 305.418 2.453 20 10 DECDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876881997 689962823 /nfs/dbraw/zinc/96/28/23/689962823.db2.gz WGAVEPJZTZECOT-GOSISDBHSA-N 1 0 317.477 2.222 20 10 DECDRO Cc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(O)c1 ZINC000877126172 690024268 /nfs/dbraw/zinc/02/42/68/690024268.db2.gz FWZWLMRYCORMAN-WMZOPIPTSA-N 1 0 301.386 2.275 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000877282445 690065489 /nfs/dbraw/zinc/06/54/89/690065489.db2.gz LXLPGTTZVHGGTH-IRXDYDNUSA-N 1 0 324.428 2.456 20 10 DECDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C)cc1O ZINC000877423671 690108463 /nfs/dbraw/zinc/10/84/63/690108463.db2.gz IZGZPBMSUSBYII-GJZGRUSLSA-N 1 0 307.390 2.243 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877489507 690129542 /nfs/dbraw/zinc/12/95/42/690129542.db2.gz PNDZVQMGFMZLCJ-LJQANCHMSA-N 1 0 318.461 2.385 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)[nH]c1C ZINC000877493875 690130395 /nfs/dbraw/zinc/13/03/95/690130395.db2.gz PXZMXZHGXQZKPM-UHFFFAOYSA-N 1 0 304.346 2.114 20 10 DECDRO OCCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877513697 690136830 /nfs/dbraw/zinc/13/68/30/690136830.db2.gz AYMAYAWJULEZQD-UHFFFAOYSA-N 1 0 318.461 2.433 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000877571016 690155007 /nfs/dbraw/zinc/15/50/07/690155007.db2.gz QHRDTSDQMWBQFA-GUYCJALGSA-N 1 0 301.390 2.444 20 10 DECDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877592818 690161341 /nfs/dbraw/zinc/16/13/41/690161341.db2.gz UNWGQLLJWAHFOO-NVXWUHKLSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000877656033 690181280 /nfs/dbraw/zinc/18/12/80/690181280.db2.gz UICLLGBWAOTIOH-UHFFFAOYSA-N 1 0 304.434 2.387 20 10 DECDRO Cc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(O)c1 ZINC000877676964 690187228 /nfs/dbraw/zinc/18/72/28/690187228.db2.gz KGCIIZMYOLQURE-UHFFFAOYSA-N 1 0 302.378 2.003 20 10 DECDRO Cn1nnnc1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000877780791 690226059 /nfs/dbraw/zinc/22/60/59/690226059.db2.gz DKGUXOASHUWWJA-UHFFFAOYSA-N 1 0 323.400 2.449 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3cc[nH]c(=O)c3)CC2)cc1F ZINC000878181127 690338194 /nfs/dbraw/zinc/33/81/94/690338194.db2.gz LWNMXQPNTLWRPH-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@@H](O)C(C)C)CC2)cc1F ZINC000878181157 690338334 /nfs/dbraw/zinc/33/83/34/690338334.db2.gz MJUBIYBWBBEQNR-MRXNPFEDSA-N 1 0 310.413 2.363 20 10 DECDRO CCN(C#N)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878240847 690355569 /nfs/dbraw/zinc/35/55/69/690355569.db2.gz NMAHELRPAXPBHY-MRXNPFEDSA-N 1 0 303.406 2.176 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCCC2)c1 ZINC000878360318 690388114 /nfs/dbraw/zinc/38/81/14/690388114.db2.gz KOABAWWQCBCONU-CHWSQXEVSA-N 1 0 309.406 2.108 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ncccc2C)c1 ZINC000878360420 690388152 /nfs/dbraw/zinc/38/81/52/690388152.db2.gz NMMAGOGKXQWMBL-LBPRGKRZSA-N 1 0 315.373 2.394 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)ccc1N(C)C ZINC000880524029 690918098 /nfs/dbraw/zinc/91/80/98/690918098.db2.gz OIRQFFCHCOGQOF-NVXWUHKLSA-N 1 0 301.434 2.162 20 10 DECDRO C[NH2+][C@H](C)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999720 691010932 /nfs/dbraw/zinc/01/09/32/691010932.db2.gz RPSWLPRCPDEPFB-MRVPVSSYSA-N 1 0 308.769 2.168 20 10 DECDRO COc1ccc(N2CC[NH+](CCOC3CC3)CC2)c(OC)c1 ZINC000931530791 694421365 /nfs/dbraw/zinc/42/13/65/694421365.db2.gz PXXGLCCWNMYMQU-UHFFFAOYSA-N 1 0 306.406 2.005 20 10 DECDRO CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853641 691173956 /nfs/dbraw/zinc/17/39/56/691173956.db2.gz DVFKYFNMUJXECJ-MSOLQXFVSA-N 1 0 315.461 2.347 20 10 DECDRO CC(C)[C@@H](F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854252 691174485 /nfs/dbraw/zinc/17/44/85/691174485.db2.gz YPSZVJKEXPARTJ-MRXNPFEDSA-N 1 0 307.413 2.049 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402835 691498452 /nfs/dbraw/zinc/49/84/52/691498452.db2.gz BPNPQYVDPQNCDX-REMYHPOOSA-N 1 0 313.445 2.366 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1F ZINC000883402075 691498736 /nfs/dbraw/zinc/49/87/36/691498736.db2.gz HWWXCURTGMYJJQ-CYBMUJFWSA-N 1 0 323.387 2.131 20 10 DECDRO [NH3+][C@@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884304890 691705105 /nfs/dbraw/zinc/70/51/05/691705105.db2.gz FKYALSVELLWCIU-CVEARBPZSA-N 1 0 318.417 2.027 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c(C)n1-c1ccccn1 ZINC000884356504 691717878 /nfs/dbraw/zinc/71/78/78/691717878.db2.gz GYJHNZFGOJXLBU-LSDHHAIUSA-N 1 0 312.417 2.345 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1F ZINC000886260188 692037478 /nfs/dbraw/zinc/03/74/78/692037478.db2.gz QUJQZRXLBFXQCZ-GBEXYDAJSA-N 1 0 324.440 2.426 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000886267737 692040224 /nfs/dbraw/zinc/04/02/24/692040224.db2.gz UGVOFNWCWUCWEC-CRAIPNDOSA-N 1 0 304.434 2.490 20 10 DECDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886504236 692095532 /nfs/dbraw/zinc/09/55/32/692095532.db2.gz XQMFAXGVQITEDZ-KGLIPLIRSA-N 1 0 309.429 2.208 20 10 DECDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1c([O-])cccc1F ZINC000886526352 692101746 /nfs/dbraw/zinc/10/17/46/692101746.db2.gz KWJBEPPWICBFST-KGLIPLIRSA-N 1 0 310.413 2.419 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000886636941 692142605 /nfs/dbraw/zinc/14/26/05/692142605.db2.gz YMLFLZMEXHVBNA-RBSFLKMASA-N 1 0 318.417 2.205 20 10 DECDRO CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001048480069 692626727 /nfs/dbraw/zinc/62/67/27/692626727.db2.gz QYGOQHVFFSEWAT-WCQYABFASA-N 1 0 317.393 2.167 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000890069652 692852389 /nfs/dbraw/zinc/85/23/89/692852389.db2.gz IXHCTXOUCYBFEO-HNNXBMFYSA-N 1 0 305.422 2.408 20 10 DECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894784658 692987734 /nfs/dbraw/zinc/98/77/34/692987734.db2.gz MMIZPGCCRHLSCK-AWEZNQCLSA-N 1 0 322.405 2.420 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926596587 693477169 /nfs/dbraw/zinc/47/71/69/693477169.db2.gz QCCLKAFBVGMGIO-UONOGXRCSA-N 1 0 301.438 2.471 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2O ZINC000926947673 693533852 /nfs/dbraw/zinc/53/38/52/693533852.db2.gz KMXLQLBNRZZSAD-DAHVATMRSA-N 1 0 307.365 2.473 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1 ZINC000927042046 693544798 /nfs/dbraw/zinc/54/47/98/693544798.db2.gz UNFWBEDUDLISSK-FUDCBSFHSA-N 1 0 309.431 2.459 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC001334967145 1150361116 /nfs/dbraw/zinc/36/11/16/1150361116.db2.gz YPISDFWMKLJTAC-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO C[C@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)[S@@](C)=O ZINC001348090583 1151119146 /nfs/dbraw/zinc/11/91/46/1151119146.db2.gz ZOKKICZXPDZDEM-CFMSYZGJSA-N 1 0 304.406 2.278 20 10 DECDRO OCC12CCC(CC1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001351630745 1151589840 /nfs/dbraw/zinc/58/98/40/1151589840.db2.gz BELQWIYQHOKMFB-UHFFFAOYSA-N 1 0 302.418 2.013 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1OC ZINC001351960063 1151639376 /nfs/dbraw/zinc/63/93/76/1151639376.db2.gz BSWTXAIPPFLUBE-OCCSQVGLSA-N 1 0 307.390 2.410 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1[NH2+]CC12CCCC2 ZINC001353071842 1151807855 /nfs/dbraw/zinc/80/78/55/1151807855.db2.gz KNINIHDKTSWQQH-QGZVFWFLSA-N 1 0 313.445 2.435 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001353353863 1151825796 /nfs/dbraw/zinc/82/57/96/1151825796.db2.gz MZNCJKSNIDCUKU-GDBMZVCRSA-N 1 0 318.465 2.106 20 10 DECDRO CC(C)(CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCCC1 ZINC001357667537 1152323608 /nfs/dbraw/zinc/32/36/08/1152323608.db2.gz FAYMCLAIGOYVKD-UHFFFAOYSA-N 1 0 304.438 2.190 20 10 DECDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001330622061 1149213498 /nfs/dbraw/zinc/21/34/98/1149213498.db2.gz OPBGVWDTBRPIGF-CRAIPNDOSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001331931709 1149781080 /nfs/dbraw/zinc/78/10/80/1149781080.db2.gz ANAKFXSUXMLPLY-ZDEQEGDKSA-N 1 0 309.431 2.414 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3c[nH]cc4ncnc3-4)cc2)CC1 ZINC001167434882 777035163 /nfs/dbraw/zinc/03/51/63/777035163.db2.gz XUQUIKSDNJHCQH-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404131 777077305 /nfs/dbraw/zinc/07/73/05/777077305.db2.gz OHCZBGAAXFWPFQ-IUCKJTJTSA-N 1 0 304.390 2.054 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)ccn2C)cc1C ZINC001126264255 778636993 /nfs/dbraw/zinc/63/69/93/778636993.db2.gz NBPKVUZIXPTVOL-UHFFFAOYSA-N 1 0 315.417 2.170 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000691417685 784586124 /nfs/dbraw/zinc/58/61/24/784586124.db2.gz WNPBLAPFCFMZSC-CYBMUJFWSA-N 1 0 300.196 2.405 20 10 DECDRO COc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169124269 785046052 /nfs/dbraw/zinc/04/60/52/785046052.db2.gz BGEWVARYFFTTSN-PIIMJCKOSA-N 1 0 315.461 2.442 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CO1 ZINC001169350008 785143881 /nfs/dbraw/zinc/14/38/81/785143881.db2.gz HXMUMQMYWABJPS-ZBFHGGJFSA-N 1 0 307.390 2.204 20 10 DECDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001169655730 785289173 /nfs/dbraw/zinc/28/91/73/785289173.db2.gz ACMNHQUWQIGXBF-ZDUSSCGKSA-N 1 0 308.378 2.198 20 10 DECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691486360 786084369 /nfs/dbraw/zinc/08/43/69/786084369.db2.gz GESNATBDGPOGPM-SECBINFHSA-N 1 0 315.211 2.111 20 10 DECDRO O=C(c1cccc(O)c1O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001148214164 791711049 /nfs/dbraw/zinc/71/10/49/791711049.db2.gz PATZUSHQSGMMMC-CYBMUJFWSA-N 1 0 304.390 2.188 20 10 DECDRO CCOCc1cc(C[NH2+]C2COC(C)(C)OC2)ccc1OC ZINC000758047671 793033268 /nfs/dbraw/zinc/03/32/68/793033268.db2.gz YEZPSROABKDQKR-UHFFFAOYSA-N 1 0 309.406 2.473 20 10 DECDRO [NH3+][C@@H]1CCN(Cc2cc(Br)ccc2O)CC[C@@H]1F ZINC001206153718 793271550 /nfs/dbraw/zinc/27/15/50/793271550.db2.gz FICHONHJEWIRJJ-NWDGAFQWSA-N 1 0 317.202 2.416 20 10 DECDRO COCCCN1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001172253399 793390266 /nfs/dbraw/zinc/39/02/66/793390266.db2.gz OJSJEKMFQUESAE-UHFFFAOYSA-N 1 0 304.434 2.251 20 10 DECDRO Oc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1O ZINC001173660545 793798230 /nfs/dbraw/zinc/79/82/30/793798230.db2.gz WERZWLDRAOUQMN-UHFFFAOYSA-N 1 0 304.312 2.214 20 10 DECDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(Cl)cc1O ZINC001118027077 795142666 /nfs/dbraw/zinc/14/26/66/795142666.db2.gz QJWMENIQNCMKNN-LBPRGKRZSA-N 1 0 312.841 2.401 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC001118338830 795178515 /nfs/dbraw/zinc/17/85/15/795178515.db2.gz XTCBHDXHMFKJJS-KRWDZBQOSA-N 1 0 319.449 2.122 20 10 DECDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(N)cc1 ZINC001120263291 795431502 /nfs/dbraw/zinc/43/15/02/795431502.db2.gz MSIJNJNDVYSUQG-GFCCVEGCSA-N 1 0 319.430 2.109 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206445698 795451627 /nfs/dbraw/zinc/45/16/27/795451627.db2.gz PYLOGYGFOXTJJG-VHSXEESVSA-N 1 0 308.275 2.162 20 10 DECDRO CC[N@H+](CCN(C)C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336769 796198873 /nfs/dbraw/zinc/19/88/73/796198873.db2.gz YSJFTQRDBGZDRI-UHFFFAOYSA-N 1 0 317.477 2.475 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140098598 796477161 /nfs/dbraw/zinc/47/71/61/796477161.db2.gz HBEBFRYDADIYBW-CYBMUJFWSA-N 1 0 300.196 2.359 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1O ZINC001140184608 796487720 /nfs/dbraw/zinc/48/77/20/796487720.db2.gz BPAPVVIFDVQBDA-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO CN1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001140464053 796526077 /nfs/dbraw/zinc/52/60/77/796526077.db2.gz ADGTWUWKXAWHPG-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1 ZINC001140622064 796546995 /nfs/dbraw/zinc/54/69/95/796546995.db2.gz WVIQQCDJQVKIFS-HOTGVXAUSA-N 1 0 300.402 2.001 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(CCc3ccncc3)CC2)c1 ZINC001140621026 796547112 /nfs/dbraw/zinc/54/71/12/796547112.db2.gz MPEPXVDAXFMNDV-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001140664583 796553433 /nfs/dbraw/zinc/55/34/33/796553433.db2.gz MOJXDXGFXOEZBR-MAUKXSAKSA-N 1 0 320.408 2.273 20 10 DECDRO COCCOc1ccc(N2CC[NH+](Cc3cc[nH]c3)CC2)cc1 ZINC001140708065 796562035 /nfs/dbraw/zinc/56/20/35/796562035.db2.gz POJSWZZCTPWVBU-UHFFFAOYSA-N 1 0 315.417 2.362 20 10 DECDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140745268 796566844 /nfs/dbraw/zinc/56/68/44/796566844.db2.gz CGTDFYUCMDRSHS-UHFFFAOYSA-N 1 0 311.353 2.273 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC001140746449 796566908 /nfs/dbraw/zinc/56/69/08/796566908.db2.gz ZUJNHYLOVRRWHJ-OAHLLOKOSA-N 1 0 318.417 2.241 20 10 DECDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)nc1 ZINC001140749642 796567568 /nfs/dbraw/zinc/56/75/68/796567568.db2.gz HNLXGDUIZFZHSB-CQSZACIVSA-N 1 0 315.373 2.158 20 10 DECDRO Cc1ccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001140949718 796605250 /nfs/dbraw/zinc/60/52/50/796605250.db2.gz HBKBPBPVODFHCR-UHFFFAOYSA-N 1 0 300.402 2.287 20 10 DECDRO Cc1ccc(CN2CCN(c3nccnc3Cl)CC2)c(O)c1 ZINC001140947889 796605559 /nfs/dbraw/zinc/60/55/59/796605559.db2.gz JSFRGKDJAZYCFO-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO Cc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c(O)c1 ZINC001140953761 796606784 /nfs/dbraw/zinc/60/67/84/796606784.db2.gz GJKCCOJRARTNAR-UHFFFAOYSA-N 1 0 317.433 2.470 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028809 796620133 /nfs/dbraw/zinc/62/01/33/796620133.db2.gz ARKAJMYFMFWYMM-KRWDZBQOSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c(OC)c1 ZINC001141026387 796620618 /nfs/dbraw/zinc/62/06/18/796620618.db2.gz OONFDLBGNYZOTL-ZDUSSCGKSA-N 1 0 321.417 2.394 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032194 796621962 /nfs/dbraw/zinc/62/19/62/796621962.db2.gz VFSSBLJRCKNJNW-SJKOYZFVSA-N 1 0 309.406 2.392 20 10 DECDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3cc(O)ccc3O)CC[C@H]21 ZINC001141159854 796641999 /nfs/dbraw/zinc/64/19/99/796641999.db2.gz LCITVEFPZKXBML-CZUORRHYSA-N 1 0 318.417 2.177 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001143103411 796802433 /nfs/dbraw/zinc/80/24/33/796802433.db2.gz CQBKISDLXVZCQG-CRAIPNDOSA-N 1 0 307.434 2.255 20 10 DECDRO CN1CCO[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]21 ZINC001143104927 796802634 /nfs/dbraw/zinc/80/26/34/796802634.db2.gz HVINVHNRMLXDPE-CVEARBPZSA-N 1 0 304.434 2.205 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143111410 796803417 /nfs/dbraw/zinc/80/34/17/796803417.db2.gz BNDNDGARHWXFNO-OAHLLOKOSA-N 1 0 306.450 2.452 20 10 DECDRO O=C(c1ccc(O)c(O)c1Cl)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001193233129 797527734 /nfs/dbraw/zinc/52/77/34/797527734.db2.gz VDOPGMODCZQWNI-SECBINFHSA-N 1 0 321.764 2.494 20 10 DECDRO CCC[NH+]1CCC(NC(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193236590 797528626 /nfs/dbraw/zinc/52/86/26/797528626.db2.gz IUSFZZDBLZWARC-UHFFFAOYSA-N 1 0 312.797 2.355 20 10 DECDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193225008 797535170 /nfs/dbraw/zinc/53/51/70/797535170.db2.gz FLDJLFZBBHUCGO-UHFFFAOYSA-N 1 0 312.797 2.308 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001157738826 798268360 /nfs/dbraw/zinc/26/83/60/798268360.db2.gz CYOULXWGPIYGJO-AHKGRUIUSA-N 1 0 319.424 2.445 20 10 DECDRO c1cnc([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC001198166034 798291312 /nfs/dbraw/zinc/29/13/12/798291312.db2.gz XUTWRRUCDBAOFV-QGZVFWFLSA-N 1 0 324.428 2.303 20 10 DECDRO CCc1nnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001201803198 798800258 /nfs/dbraw/zinc/80/02/58/798800258.db2.gz MPEAPALCEHBKBL-ZDUSSCGKSA-N 1 0 315.421 2.055 20 10 DECDRO CC(C)(C)CN(C(=O)Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001161261914 798817767 /nfs/dbraw/zinc/81/77/67/798817767.db2.gz PGUUOOYKZGGWTI-UHFFFAOYSA-N 1 0 303.450 2.438 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@@H](C)CO2)cc1C ZINC001162851268 799189322 /nfs/dbraw/zinc/18/93/22/799189322.db2.gz NHMVMHCBROCAGP-CXAGYDPISA-N 1 0 320.433 2.025 20 10 DECDRO [NH3+][C@H]1Cc2ccccc2N(c2cnc3c(c2)C2(CC2)C(=O)N3)C1 ZINC001162854234 799189939 /nfs/dbraw/zinc/18/99/39/799189939.db2.gz NHIFDQNFLKVJPN-LBPRGKRZSA-N 1 0 306.369 2.087 20 10 DECDRO CCOC(=O)C(=Cc1cc(C)c(C)[nH]c1=NOCC[NH3+])N=[N+]=[N-] ZINC001164415289 799594189 /nfs/dbraw/zinc/59/41/89/799594189.db2.gz SUNCRQBQUYGITH-WQLSENKSSA-N 1 0 320.353 2.215 20 10 DECDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)N1CCCC1 ZINC001203560542 800080779 /nfs/dbraw/zinc/08/07/79/800080779.db2.gz BYVCDPBHUVHAQX-UHFFFAOYSA-N 1 0 303.406 2.162 20 10 DECDRO COc1cccc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c1O ZINC001203589507 800085176 /nfs/dbraw/zinc/08/51/76/800085176.db2.gz JSSWZODEERVHBT-AAEUAGOBSA-N 1 0 323.286 2.238 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c1O ZINC001203601586 800087655 /nfs/dbraw/zinc/08/76/55/800087655.db2.gz BLYJLWYKFCPRAS-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001203608392 800088911 /nfs/dbraw/zinc/08/89/11/800088911.db2.gz OAMHOKZPWRQADG-SFHVURJKSA-N 1 0 318.417 2.426 20 10 DECDRO COc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(O)c1 ZINC001203622726 800090932 /nfs/dbraw/zinc/09/09/32/800090932.db2.gz ATJCQVZZZGDMMG-UHFFFAOYSA-N 1 0 304.390 2.036 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001203617650 800091535 /nfs/dbraw/zinc/09/15/35/800091535.db2.gz SQXADHJFRIPRSB-DZGCQCFKSA-N 1 0 318.417 2.234 20 10 DECDRO COc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001203628667 800093700 /nfs/dbraw/zinc/09/37/00/800093700.db2.gz GEYIFXVWASCCMC-UHFFFAOYSA-N 1 0 300.358 2.102 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c1 ZINC001203672846 800103617 /nfs/dbraw/zinc/10/36/17/800103617.db2.gz GBFTWHQKAIZPCG-UHFFFAOYSA-N 1 0 319.405 2.031 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c1 ZINC001203681359 800104727 /nfs/dbraw/zinc/10/47/27/800104727.db2.gz UXPMVIJBZGEULT-HNNXBMFYSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001203681092 800105166 /nfs/dbraw/zinc/10/51/66/800105166.db2.gz OVUCTEXKGXEJKH-OAHLLOKOSA-N 1 0 318.417 2.282 20 10 DECDRO Oc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1O ZINC001203877892 800138719 /nfs/dbraw/zinc/13/87/19/800138719.db2.gz YRIMCXGJWAESFY-UHFFFAOYSA-N 1 0 311.385 2.366 20 10 DECDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933512 800147767 /nfs/dbraw/zinc/14/77/67/800147767.db2.gz OAERXMIYNYBDPF-UHFFFAOYSA-N 1 0 316.449 2.383 20 10 DECDRO CCN(CC)c1ccc(CN2CCOC[C@H]2C[NH+](C)C)cc1 ZINC001203942894 800148766 /nfs/dbraw/zinc/14/87/66/800148766.db2.gz XKMRAVGTTQQPGE-GOSISDBHSA-N 1 0 305.466 2.295 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 ZINC001203935327 800149238 /nfs/dbraw/zinc/14/92/38/800149238.db2.gz DTGLRZQSTAHCPL-MRXNPFEDSA-N 1 0 316.380 2.335 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc1 ZINC001203940783 800149272 /nfs/dbraw/zinc/14/92/72/800149272.db2.gz ZGQMJDYTIGMNDY-MSOLQXFVSA-N 1 0 306.450 2.098 20 10 DECDRO Cc1cnc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)nc1 ZINC001204278088 800198868 /nfs/dbraw/zinc/19/88/68/800198868.db2.gz SOGLFQIFIMMCPT-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277840 800199211 /nfs/dbraw/zinc/19/92/11/800199211.db2.gz MBEFYUKZYKXVLC-OAHLLOKOSA-N 1 0 316.357 2.155 20 10 DECDRO Oc1ccc(CN2CCO[C@H](COc3ccccc3)C2)c(O)c1 ZINC001204281890 800200415 /nfs/dbraw/zinc/20/04/15/800200415.db2.gz ZECFCPVLPIWXTG-KRWDZBQOSA-N 1 0 315.369 2.378 20 10 DECDRO CC(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320364 800204383 /nfs/dbraw/zinc/20/43/83/800204383.db2.gz VHAXKUYEAUGKRQ-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204349713 800207332 /nfs/dbraw/zinc/20/73/32/800207332.db2.gz ACFVDPPXQUBPRL-ZDUSSCGKSA-N 1 0 323.389 2.272 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC001205403238 800354215 /nfs/dbraw/zinc/35/42/15/800354215.db2.gz VYUDBQZDUZZQNN-CQSZACIVSA-N 1 0 312.369 2.296 20 10 DECDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828623 800428481 /nfs/dbraw/zinc/42/84/81/800428481.db2.gz MAEHRHHUNBXREZ-MAUKXSAKSA-N 1 0 317.477 2.207 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001207520170 800770492 /nfs/dbraw/zinc/77/04/92/800770492.db2.gz YRGKQBALPIVBBC-AWEZNQCLSA-N 1 0 319.323 2.456 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3COC(C)(C)O3)CC2)c(C)c1 ZINC001207932397 800867295 /nfs/dbraw/zinc/86/72/95/800867295.db2.gz JUXPDAQKNFUSNB-INIZCTEOSA-N 1 0 320.433 2.277 20 10 DECDRO CC(=O)N1CCC(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001208674161 801045090 /nfs/dbraw/zinc/04/50/90/801045090.db2.gz LNIXFQFVBQDBDJ-UHFFFAOYSA-N 1 0 318.417 2.105 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c(O)cc1O ZINC001231637128 801700759 /nfs/dbraw/zinc/70/07/59/801700759.db2.gz FIYFBEYPWVJBMB-AWEZNQCLSA-N 1 0 315.316 2.107 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCC(=O)O2)CC1 ZINC001231852833 801737433 /nfs/dbraw/zinc/73/74/33/801737433.db2.gz ASOPYKQETXUJNP-UHFFFAOYSA-N 1 0 318.417 2.433 20 10 DECDRO CC[NH+]1C[C@@H]2CN(Cc3ccc(N(C)C)cc3OC)C[C@H]2C1 ZINC001231854498 801739156 /nfs/dbraw/zinc/73/91/56/801739156.db2.gz BENFDHBTZBOASK-HZPDHXFCSA-N 1 0 303.450 2.145 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194719 801813796 /nfs/dbraw/zinc/81/37/96/801813796.db2.gz LEIVNFZSAASEQR-KRWDZBQOSA-N 1 0 324.852 2.381 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1Cl ZINC001232258545 801830691 /nfs/dbraw/zinc/83/06/91/801830691.db2.gz AMPNMTHCENWVCQ-AWEZNQCLSA-N 1 0 303.761 2.438 20 10 DECDRO COc1cc(O)c(CN2CCN(C(C)=O)[C@H](C)C2)cc1Cl ZINC001232267406 801832883 /nfs/dbraw/zinc/83/28/83/801832883.db2.gz BIXAFEOGHCZRCX-SNVBAGLBSA-N 1 0 312.797 2.107 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c(O)c1 ZINC001232835648 801967948 /nfs/dbraw/zinc/96/79/48/801967948.db2.gz FDWPVKOTDCZEGJ-HNNXBMFYSA-N 1 0 304.434 2.443 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001233286240 802064117 /nfs/dbraw/zinc/06/41/17/802064117.db2.gz LMVZBPFTVHKLCH-WFASDCNBSA-N 1 0 302.418 2.258 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001233287997 802064364 /nfs/dbraw/zinc/06/43/64/802064364.db2.gz QUYZTIBSXFDZGL-RYUDHWBXSA-N 1 0 303.761 2.349 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1 ZINC001233284344 802065267 /nfs/dbraw/zinc/06/52/67/802065267.db2.gz QZOHNZLNILUJII-AEFFLSMTSA-N 1 0 307.434 2.255 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416476 802111898 /nfs/dbraw/zinc/11/18/98/802111898.db2.gz JSDUNWFLDBBFQM-JTQLQIEISA-N 1 0 303.280 2.406 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1O ZINC001233483057 802127554 /nfs/dbraw/zinc/12/75/54/802127554.db2.gz MLFHELDFUQMHCZ-ZDUSSCGKSA-N 1 0 321.295 2.083 20 10 DECDRO C[C@@H]1C[C@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218046355 802137453 /nfs/dbraw/zinc/13/74/53/802137453.db2.gz WEXBWJSOJLMBEE-MNOVXSKESA-N 1 0 323.348 2.297 20 10 DECDRO C[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001219493788 802338148 /nfs/dbraw/zinc/33/81/48/802338148.db2.gz YGZZPPRVDYJPRM-SNVBAGLBSA-N 1 0 313.361 2.199 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000315644574 802479294 /nfs/dbraw/zinc/47/92/94/802479294.db2.gz RPBRXMIHJDXJTB-MRXNPFEDSA-N 1 0 301.434 2.101 20 10 DECDRO C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000316016724 802495577 /nfs/dbraw/zinc/49/55/77/802495577.db2.gz CAIHHDQHRPDSIB-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO CCN(CC)c1ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492114 802694037 /nfs/dbraw/zinc/69/40/37/802694037.db2.gz ONVQHTKLALIFCB-OALUTQOASA-N 1 0 316.493 2.059 20 10 DECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331082907 1149377670 /nfs/dbraw/zinc/37/76/70/1149377670.db2.gz HZVZLQSJSUJTTI-GDBMZVCRSA-N 1 0 323.456 2.217 20 10 DECDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC001524411933 1069940924 /nfs/dbraw/zinc/94/09/24/1069940924.db2.gz CYTVLSPLVUUMCF-QGZVFWFLSA-N 1 0 315.392 2.370 20 10 DECDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001621330523 1071056773 /nfs/dbraw/zinc/05/67/73/1071056773.db2.gz MDFOBUYBEUZJEE-GXTWGEPZSA-N 1 0 301.814 2.293 20 10 DECDRO C[C@@H](Cc1ccno1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001462458137 1058829728 /nfs/dbraw/zinc/82/97/28/1058829728.db2.gz MCNIRSLRGQYVKL-AWEZNQCLSA-N 1 0 315.417 2.357 20 10 DECDRO COc1ccc(C[NH2+]CC(C)(C)[C@@H](C)O)cc1Cn1cccn1 ZINC001474287851 1060842652 /nfs/dbraw/zinc/84/26/52/1060842652.db2.gz CLBZOJQBQGCASV-CQSZACIVSA-N 1 0 317.433 2.437 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC001474472026 1060879618 /nfs/dbraw/zinc/87/96/18/1060879618.db2.gz WYDYQSZMQMWGOV-GOSISDBHSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1 ZINC001474685797 1060917324 /nfs/dbraw/zinc/91/73/24/1060917324.db2.gz CBCSMXOLOCAZIS-CQSZACIVSA-N 1 0 305.374 2.243 20 10 DECDRO CC[C@H](CNC(=O)[C@H](C)OC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567952287 1064556695 /nfs/dbraw/zinc/55/66/95/1064556695.db2.gz WCBUEKUELQQXSF-DZGCQCFKSA-N 1 0 308.422 2.023 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1C1CC1 ZINC001631593727 1078368000 /nfs/dbraw/zinc/36/80/00/1078368000.db2.gz RBQSJPVMEMZSTH-GXFFZTMASA-N 1 0 315.377 2.204 20 10 DECDRO CCOC(=O)c1cccc(N(CC)C(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC001578061251 1066973571 /nfs/dbraw/zinc/97/35/71/1066973571.db2.gz VXJGGZATLWDFNW-AWEZNQCLSA-N 1 0 302.374 2.264 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)OCCC(F)(F)F)cc1 ZINC001578424186 1067096358 /nfs/dbraw/zinc/09/63/58/1067096358.db2.gz AHVSHCCMHMQHGT-LBPRGKRZSA-N 1 0 319.327 2.431 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(n2)CCC3)cc1 ZINC001578424751 1067096652 /nfs/dbraw/zinc/09/66/52/1067096652.db2.gz UQIIZQZUYUISNZ-SFHVURJKSA-N 1 0 310.445 2.426 20 10 DECDRO COC1CCN(c2ccc(CN3[C@H](C)C[NH2+]C[C@@H]3C)cc2)CC1 ZINC001578940466 1067206914 /nfs/dbraw/zinc/20/69/14/1067206914.db2.gz GQELEFDIDJWKJB-IYBDPMFKSA-N 1 0 317.477 2.484 20 10 DECDRO COc1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1Cn1cccn1 ZINC001579216354 1067262997 /nfs/dbraw/zinc/26/29/97/1067262997.db2.gz QKYOEOWNASRGOT-QGZVFWFLSA-N 1 0 316.449 2.403 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001579616829 1067385793 /nfs/dbraw/zinc/38/57/93/1067385793.db2.gz GRCWANSCGNGVEN-GJZGRUSLSA-N 1 0 303.450 2.108 20 10 DECDRO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC001580264272 1067547380 /nfs/dbraw/zinc/54/73/80/1067547380.db2.gz KRHBUFOANNAJDX-GJBLVYBDSA-N 1 0 309.369 2.280 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)SC)cc1C ZINC001267348935 1078784022 /nfs/dbraw/zinc/78/40/22/1078784022.db2.gz NSGUQCAVQQMCMK-CYBMUJFWSA-N 1 0 310.463 2.303 20 10 DECDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCC[NH3+])cc1 ZINC001573865849 1069123459 /nfs/dbraw/zinc/12/34/59/1069123459.db2.gz PMHQDOKZZTVVJI-UHFFFAOYSA-N 1 0 317.355 2.382 20 10 DECDRO O=C(NCc1cccc(O)c1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001520508634 1069147043 /nfs/dbraw/zinc/14/70/43/1069147043.db2.gz IADDYZWRWPCUBY-CQSZACIVSA-N 1 0 318.417 2.369 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[NH2+]CC23CCCC3)c1 ZINC001521195195 1069216121 /nfs/dbraw/zinc/21/61/21/1069216121.db2.gz OULTUOSFDFQHBO-IAQYHMDHSA-N 1 0 304.390 2.110 20 10 DECDRO COc1cc(C)c(C[NH2+]Cc2ccc(CC(N)=O)cc2)c(O)c1 ZINC001560866938 1075147752 /nfs/dbraw/zinc/14/77/52/1075147752.db2.gz TVVDRFFZDYDFHF-UHFFFAOYSA-N 1 0 314.385 2.027 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1 ZINC001561017522 1075149102 /nfs/dbraw/zinc/14/91/02/1075149102.db2.gz AJXHAMHFEYKVDT-QGZVFWFLSA-N 1 0 309.406 2.383 20 10 DECDRO [NH3+]CCc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC001580314690 1075900623 /nfs/dbraw/zinc/90/06/23/1075900623.db2.gz WNZHANMKJUNOHC-UHFFFAOYSA-N 1 0 317.364 2.032 20 10 DECDRO CCc1onc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001653149609 1079916637 /nfs/dbraw/zinc/91/66/37/1079916637.db2.gz LBFSVFODONDBBN-UHFFFAOYSA-N 1 0 321.333 2.458 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(CCOC3=O)C2)cc1 ZINC001653268838 1079921942 /nfs/dbraw/zinc/92/19/42/1079921942.db2.gz BMBFVFJNKLSYHI-OAJJDEHYSA-N 1 0 300.402 2.405 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@]3(CCOC3=O)C2)cc1 ZINC001653268837 1079923028 /nfs/dbraw/zinc/92/30/28/1079923028.db2.gz BMBFVFJNKLSYHI-JXCVUKRWSA-N 1 0 300.402 2.405 20 10 DECDRO C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485232095 1080080360 /nfs/dbraw/zinc/08/03/60/1080080360.db2.gz OPYIEELKDFTLAP-MNOVXSKESA-N 1 0 317.393 2.355 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001658502613 1080210081 /nfs/dbraw/zinc/21/00/81/1080210081.db2.gz IAAQMRBBBUSTJC-LSDHHAIUSA-N 1 0 310.825 2.077 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001659210764 1080234362 /nfs/dbraw/zinc/23/43/62/1080234362.db2.gz PRPSHFSXDUIULY-MRXNPFEDSA-N 1 0 324.384 2.441 20 10 DECDRO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC2)C2CC2)cc1C ZINC001661102122 1080441296 /nfs/dbraw/zinc/44/12/96/1080441296.db2.gz YOECRTZMDCKJEN-MRXNPFEDSA-N 1 0 302.418 2.398 20 10 DECDRO CCOCc1cc(C[NH2+]CCN2CCOC[C@@H]2C)ccc1OC ZINC001661317345 1080470139 /nfs/dbraw/zinc/47/01/39/1080470139.db2.gz HNFCQGRYDFPWCS-HNNXBMFYSA-N 1 0 322.449 2.042 20 10 DECDRO Cc1cc(Cl)cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1O ZINC001237680628 1080473286 /nfs/dbraw/zinc/47/32/86/1080473286.db2.gz DYXRGQYARSSWNP-CYBMUJFWSA-N 1 0 301.814 2.308 20 10 DECDRO NC(=O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001661421073 1080480132 /nfs/dbraw/zinc/48/01/32/1080480132.db2.gz SGZYIKBVFLADPO-UHFFFAOYSA-N 1 0 301.434 2.422 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC001662318865 1080595482 /nfs/dbraw/zinc/59/54/82/1080595482.db2.gz HSDMTYDHOOBMRP-CABCVRRESA-N 1 0 302.418 2.221 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)C2=COCCC2)cc1C ZINC001663846948 1080826737 /nfs/dbraw/zinc/82/67/37/1080826737.db2.gz OODNRXZAEVDRFP-UHFFFAOYSA-N 1 0 318.417 2.246 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccccn2)cc1C ZINC001268636790 1080908643 /nfs/dbraw/zinc/90/86/43/1080908643.db2.gz SNVHYJBRGWKKDA-CQSZACIVSA-N 1 0 313.401 2.307 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccn(C)c2)cc1C ZINC001268642559 1080911935 /nfs/dbraw/zinc/91/19/35/1080911935.db2.gz NIHMSPRDGMLOST-CQSZACIVSA-N 1 0 315.417 2.250 20 10 DECDRO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC001269607694 1081306306 /nfs/dbraw/zinc/30/63/06/1081306306.db2.gz GSFQIOQKIYGFGZ-KRWDZBQOSA-N 1 0 304.390 2.046 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCO2)cc1C ZINC001482253236 1081405785 /nfs/dbraw/zinc/40/57/85/1081405785.db2.gz KMSMTFGPBGUHLW-WMLDXEAASA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(O)c(C[NH+]2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)c1 ZINC001277464084 1083985157 /nfs/dbraw/zinc/98/51/57/1083985157.db2.gz ULLNJBVIBJWSLV-CQSZACIVSA-N 1 0 318.417 2.137 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205231157 1084029886 /nfs/dbraw/zinc/02/98/86/1084029886.db2.gz XCZLTXVTGYOYTJ-INIZCTEOSA-N 1 0 311.857 2.082 20 10 DECDRO CC[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc(O)c(O)c2)C1=O ZINC001272903424 1084454709 /nfs/dbraw/zinc/45/47/09/1084454709.db2.gz SYSDUBMUOVNMNZ-UGSOOPFHSA-N 1 0 318.417 2.463 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCO1 ZINC001235674895 1084496273 /nfs/dbraw/zinc/49/62/73/1084496273.db2.gz IKRLGQCJSKERCC-MRXNPFEDSA-N 1 0 306.450 2.452 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001235674463 1084496436 /nfs/dbraw/zinc/49/64/36/1084496436.db2.gz GHOQLAYAAGZRTH-AEFFLSMTSA-N 1 0 307.434 2.255 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001235769847 1084523523 /nfs/dbraw/zinc/52/35/23/1084523523.db2.gz HXTPXFNIVGXUOK-ZIAGYGMSSA-N 1 0 320.433 2.012 20 10 DECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001235996305 1084585256 /nfs/dbraw/zinc/58/52/56/1084585256.db2.gz WPMXVAMNLDVIFJ-NOZJJQNGSA-N 1 0 302.296 2.214 20 10 DECDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001235995126 1084585802 /nfs/dbraw/zinc/58/58/02/1084585802.db2.gz VGHIOWAPFZPHMH-GXFFZTMASA-N 1 0 302.296 2.214 20 10 DECDRO C[C@@H]1C[C@H]([NH3+])CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001236046250 1084596898 /nfs/dbraw/zinc/59/68/98/1084596898.db2.gz FJZXAIDWSSHQSX-SCZZXKLOSA-N 1 0 317.202 2.463 20 10 DECDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001273107793 1086214612 /nfs/dbraw/zinc/21/46/12/1086214612.db2.gz FNJLUGNACUTTQE-MRXNPFEDSA-N 1 0 322.792 2.017 20 10 DECDRO CSC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706834321 1086652295 /nfs/dbraw/zinc/65/22/95/1086652295.db2.gz VXAOWEWXQFBXPM-GFCCVEGCSA-N 1 0 320.252 2.358 20 10 DECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706834241 1086652524 /nfs/dbraw/zinc/65/25/24/1086652524.db2.gz PPMVQQLGXGCLGJ-QPUJVOFHSA-N 1 0 320.252 2.357 20 10 DECDRO Oc1cccc(Br)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000707129952 1086659900 /nfs/dbraw/zinc/65/99/00/1086659900.db2.gz WAFSKNYXNVPJMX-LLVKDONJSA-N 1 0 311.223 2.435 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C(=O)[O-])ccc3O)C2)C1 ZINC001276056169 1091495281 /nfs/dbraw/zinc/49/52/81/1091495281.db2.gz VYTUVNPVJAWFOL-GOSISDBHSA-N 1 0 318.417 2.398 20 10 DECDRO CC(C)(C)c1ccc(O)c(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236166132 1138336236 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DECDRO C[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC001237212514 1138536453 /nfs/dbraw/zinc/53/64/53/1138536453.db2.gz MERKWEHCLDIJSC-UHFFFAOYSA-N 1 0 322.474 2.296 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001237487641 1138654408 /nfs/dbraw/zinc/65/44/08/1138654408.db2.gz CLHJGOCBZVUACB-UHFFFAOYSA-N 1 0 300.402 2.287 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001237488516 1138655553 /nfs/dbraw/zinc/65/55/53/1138655553.db2.gz MSNMDWWMKNZQQS-UHFFFAOYSA-N 1 0 324.384 2.492 20 10 DECDRO COc1cc(N2CC[NH+](Cc3c(C)cccc3O)CC2)ccn1 ZINC001237493670 1138655633 /nfs/dbraw/zinc/65/56/33/1138655633.db2.gz CWBUHCJQDQMODE-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237673588 1138747988 /nfs/dbraw/zinc/74/79/88/1138747988.db2.gz ROTZGUCMJKXBSA-SLEUVZQESA-N 1 0 307.390 2.409 20 10 DECDRO COc1cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237678362 1138753172 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Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c1O ZINC001251946684 1142560444 /nfs/dbraw/zinc/56/04/44/1142560444.db2.gz AEKQQMDFCXRATN-HNNXBMFYSA-N 1 0 305.349 2.369 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncoc2C2CC2)cc1 ZINC001339708874 1143084884 /nfs/dbraw/zinc/08/48/84/1143084884.db2.gz ISWUWMCWIVMLBA-CQSZACIVSA-N 1 0 314.389 2.048 20 10 DECDRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccnc1 ZINC001341018617 1143524842 /nfs/dbraw/zinc/52/48/42/1143524842.db2.gz IRAPKCSVMVZOAY-QGZVFWFLSA-N 1 0 312.417 2.016 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)c(O)c1 ZINC001341082113 1143536007 /nfs/dbraw/zinc/53/60/07/1143536007.db2.gz YJEDZTWYJHZBJZ-WQVCFCJDSA-N 1 0 318.417 2.328 20 10 DECDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(O)c1O ZINC001255805762 1143807235 /nfs/dbraw/zinc/80/72/35/1143807235.db2.gz XWKGWVAGLVOOCE-GFCCVEGCSA-N 1 0 321.398 2.050 20 10 DECDRO CCOC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001256045194 1143824955 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DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC2(F)F)cc1C ZINC001317238432 1147681128 /nfs/dbraw/zinc/68/11/28/1147681128.db2.gz ITNIJFUNSMBIQT-WCQYABFASA-N 1 0 312.360 2.253 20 10 DECDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324746500 1147839389 /nfs/dbraw/zinc/83/93/89/1147839389.db2.gz MRIBIPSKYLLIEQ-HNNXBMFYSA-N 1 0 321.440 2.188 20 10 DECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326447943 1148101834 /nfs/dbraw/zinc/10/18/34/1148101834.db2.gz ZMCGKUKBFYHYRC-HNNXBMFYSA-N 1 0 323.456 2.076 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001353456843 1151831775 /nfs/dbraw/zinc/83/17/75/1151831775.db2.gz UFDFTHFQWJVTCQ-MUJYYYPQSA-N 1 0 316.449 2.082 20 10 DECDRO C[NH2+]C[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000418093462 530004384 /nfs/dbraw/zinc/00/43/84/530004384.db2.gz BYUUVUDTNBWRJZ-CQSZACIVSA-N 1 0 314.433 2.238 20 10 DECDRO CCCCNC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465490 354403891 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ZINC000106486815 194219186 /nfs/dbraw/zinc/21/91/86/194219186.db2.gz MYUVYOBYXRDVBR-UHFFFAOYSA-N 1 0 315.396 2.370 20 10 DECDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093455628 285281642 /nfs/dbraw/zinc/28/16/42/285281642.db2.gz QLPYOIHPOILXPD-OAHLLOKOSA-N 1 0 313.353 2.213 20 10 DECDRO COc1cccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000373340204 533476883 /nfs/dbraw/zinc/47/68/83/533476883.db2.gz IXUASJTYDSNBCA-MRXNPFEDSA-N 1 0 317.389 2.070 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1 ZINC000275399851 130315520 /nfs/dbraw/zinc/31/55/20/130315520.db2.gz CKQKVNMLNVUBFR-IRXDYDNUSA-N 1 0 314.433 2.496 20 10 DECDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279265315 130741152 /nfs/dbraw/zinc/74/11/52/130741152.db2.gz MTNRHWWRCSQZKL-WMLDXEAASA-N 1 0 303.450 2.489 20 10 DECDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1O)OCO2 ZINC000298889239 132081622 /nfs/dbraw/zinc/08/16/22/132081622.db2.gz PBWDNBYDKMZCLN-UHFFFAOYSA-N 1 0 315.325 2.482 20 10 DECDRO COc1cccc(CNC(=O)NCC[N@H+](C)C2CCCC2)c1O ZINC000074109467 401729956 /nfs/dbraw/zinc/72/99/56/401729956.db2.gz CJYOTGYIKLXVOV-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551026 401824693 /nfs/dbraw/zinc/82/46/93/401824693.db2.gz KDBVEZHTCSOXNT-ZFWWWQNUSA-N 1 0 308.397 2.492 20 10 DECDRO CCN(CC)c1ccc(CN(C)CCS(=O)(=O)CC)cc1 ZINC000118532535 401899943 /nfs/dbraw/zinc/89/99/43/401899943.db2.gz NUMLWVGWCSGMAW-UHFFFAOYSA-N 1 0 312.479 2.399 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c1O ZINC000093754735 402019749 /nfs/dbraw/zinc/01/97/49/402019749.db2.gz HBMRDSDIMCUYGP-CQSZACIVSA-N 1 0 309.406 2.276 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000151519833 402041444 /nfs/dbraw/zinc/04/14/44/402041444.db2.gz HTYKPNXPYPWXJN-UKRRQHHQSA-N 1 0 322.424 2.301 20 10 DECDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151546920 402042602 /nfs/dbraw/zinc/04/26/02/402042602.db2.gz WTIADLXCEPDDSA-ZDUSSCGKSA-N 1 0 310.413 2.301 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCOC1 ZINC000151565415 402044077 /nfs/dbraw/zinc/04/40/77/402044077.db2.gz LWMYYEQVBZPVQZ-QAPCUYQASA-N 1 0 318.461 2.410 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1O ZINC000092538400 402006064 /nfs/dbraw/zinc/00/60/64/402006064.db2.gz GWDLEQOKQNRVAJ-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO C[C@@H](NCCC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151921148 402065954 /nfs/dbraw/zinc/06/59/54/402065954.db2.gz ZILKOZMTFOOIMV-CQSZACIVSA-N 1 0 309.429 2.265 20 10 DECDRO O=S1(=O)CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000071792501 402277493 /nfs/dbraw/zinc/27/74/93/402277493.db2.gz MJPHOAXKZKUHBG-INIZCTEOSA-N 1 0 317.410 2.336 20 10 DECDRO Oc1ccc(Br)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219789558 402299772 /nfs/dbraw/zinc/29/97/72/402299772.db2.gz SMYHRGBWXNAYHR-GXFFZTMASA-N 1 0 311.223 2.339 20 10 DECDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000186102666 402401571 /nfs/dbraw/zinc/40/15/71/402401571.db2.gz BTMBHQWRPLYINW-QWHCGFSZSA-N 1 0 316.405 2.104 20 10 DECDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186202224 402409502 /nfs/dbraw/zinc/40/95/02/402409502.db2.gz NTQVXCVLFHXJMG-ONGXEEELSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(F)ccc1O ZINC000186375853 402426365 /nfs/dbraw/zinc/42/63/65/402426365.db2.gz VPJHRKJFBJYHQK-AAEUAGOBSA-N 1 0 311.353 2.104 20 10 DECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000186595573 402446039 /nfs/dbraw/zinc/44/60/39/402446039.db2.gz HNWWDDGTBMZFTC-CYBMUJFWSA-N 1 0 311.857 2.161 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179343866 402586266 /nfs/dbraw/zinc/58/62/66/402586266.db2.gz BOQOSHFDKDLMBS-HNNXBMFYSA-N 1 0 302.418 2.439 20 10 DECDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179576510 402595127 /nfs/dbraw/zinc/59/51/27/402595127.db2.gz GCZWPEANTXUDGE-ZDUSSCGKSA-N 1 0 324.396 2.076 20 10 DECDRO C[N@H+](CCNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000263667246 402788628 /nfs/dbraw/zinc/78/86/28/402788628.db2.gz BIMOJQSKDXHOCK-UHFFFAOYSA-N 1 0 313.401 2.323 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000278780620 402870561 /nfs/dbraw/zinc/87/05/61/402870561.db2.gz VDBFQJYTDGVJGM-GOSISDBHSA-N 1 0 313.445 2.312 20 10 DECDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944631 402889025 /nfs/dbraw/zinc/88/90/25/402889025.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 1 0 323.393 2.131 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCCOCCO)c(C(F)(F)F)c1 ZINC000280306303 402985813 /nfs/dbraw/zinc/98/58/13/402985813.db2.gz OMAPHUVDAWIRPC-UHFFFAOYSA-N 1 0 320.355 2.260 20 10 DECDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268871072 403120192 /nfs/dbraw/zinc/12/01/92/403120192.db2.gz VDZBCAYCCKUMFZ-OAHLLOKOSA-N 1 0 306.450 2.410 20 10 DECDRO C[C@H]1CN(Cc2c(O)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000276053845 403142435 /nfs/dbraw/zinc/14/24/35/403142435.db2.gz URQBQLTXBAAFQP-LBPRGKRZSA-N 1 0 312.841 2.323 20 10 DECDRO CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(C)cc1O ZINC000282473072 403155147 /nfs/dbraw/zinc/15/51/47/403155147.db2.gz GQCABHMOXJEHNC-INIZCTEOSA-N 1 0 323.433 2.299 20 10 DECDRO COC(=O)C1([N@H+](C)Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000271179270 403274188 /nfs/dbraw/zinc/27/41/88/403274188.db2.gz LNXHISCPRFVBNA-UHFFFAOYSA-N 1 0 321.373 2.429 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000271199264 403277345 /nfs/dbraw/zinc/27/73/45/403277345.db2.gz PGOHDSKXPXWYFS-UHFFFAOYSA-N 1 0 306.406 2.268 20 10 DECDRO CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285977128 403423299 /nfs/dbraw/zinc/42/32/99/403423299.db2.gz HMARHLMJRZXVTI-CZUORRHYSA-N 1 0 309.429 2.208 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)ccc1N(C)C ZINC000294305050 403698851 /nfs/dbraw/zinc/69/88/51/403698851.db2.gz XEJDZJIKDVIBSF-MAUKXSAKSA-N 1 0 304.434 2.441 20 10 DECDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054389 403745706 /nfs/dbraw/zinc/74/57/06/403745706.db2.gz FZPSFNKPPNIXIW-AWEZNQCLSA-N 1 0 324.421 2.018 20 10 DECDRO CCN(C)C(=O)[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000364769753 404533100 /nfs/dbraw/zinc/53/31/00/404533100.db2.gz MDLNFLBFKQAPFR-CQSZACIVSA-N 1 0 319.449 2.120 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000359871125 404807886 /nfs/dbraw/zinc/80/78/86/404807886.db2.gz MMPZARMBKYIZCE-ZWKOPEQDSA-N 1 0 324.808 2.153 20 10 DECDRO COc1ccc(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1C ZINC000527768399 406744824 /nfs/dbraw/zinc/74/48/24/406744824.db2.gz NHUVTWNCOPWDDF-LJQANCHMSA-N 1 0 313.397 2.459 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC001329711197 1148980261 /nfs/dbraw/zinc/98/02/61/1148980261.db2.gz VFLONOVTBNUNSX-HCKVZZMMSA-N 1 0 323.387 2.130 20 10 DECDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@H]1C1CC1 ZINC000368765341 227018178 /nfs/dbraw/zinc/01/81/78/227018178.db2.gz NTYNHWKVFAJKPS-IRXDYDNUSA-N 1 0 305.374 2.416 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000373263843 227108200 /nfs/dbraw/zinc/10/82/00/227108200.db2.gz LPWHHKSBGNPNKI-UHFFFAOYSA-N 1 0 303.337 2.365 20 10 DECDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000374889569 227141989 /nfs/dbraw/zinc/14/19/89/227141989.db2.gz CCMGKAIQFSGQKS-RDJZCZTQSA-N 1 0 301.390 2.214 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC000378130024 227208343 /nfs/dbraw/zinc/20/83/43/227208343.db2.gz MXPHXEZTBQXALG-QGZVFWFLSA-N 1 0 309.406 2.250 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH2+]CC1 ZINC000418098461 229219769 /nfs/dbraw/zinc/21/97/69/229219769.db2.gz LTHWCYXHDAXNCL-UHFFFAOYSA-N 1 0 300.406 2.038 20 10 DECDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000834899810 649858619 /nfs/dbraw/zinc/85/86/19/649858619.db2.gz KQDBIONIHPAUMD-RKDXNWHRSA-N 1 0 315.211 2.330 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1C[NH2+]C2 ZINC000662751700 425728619 /nfs/dbraw/zinc/72/86/19/425728619.db2.gz CAUPRECGVIXDQK-UHFFFAOYSA-N 1 0 323.396 2.395 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000285486571 276380423 /nfs/dbraw/zinc/38/04/23/276380423.db2.gz LTBDPJXILAOFLV-CQSZACIVSA-N 1 0 304.394 2.406 20 10 DECDRO Cc1cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)ccc1N(C)C ZINC000294000069 301270779 /nfs/dbraw/zinc/27/07/79/301270779.db2.gz FZNUYBGABPFVLX-MRXNPFEDSA-N 1 0 305.466 2.214 20 10 DECDRO CCn1nncc1C[NH2+]Cc1ccc(Br)cc1O ZINC000529637508 340765915 /nfs/dbraw/zinc/76/59/15/340765915.db2.gz CCHHBVTUCPWJOP-UHFFFAOYSA-N 1 0 311.183 2.056 20 10 DECDRO CCOCC[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025616 649867884 /nfs/dbraw/zinc/86/78/84/649867884.db2.gz LLODVQUOGJEODB-WAYWQWQTSA-N 1 0 317.477 2.420 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418105349 533970941 /nfs/dbraw/zinc/97/09/41/533970941.db2.gz ZKYAZPCGMJTWDF-JSGCOSHPSA-N 1 0 314.433 2.426 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000835034525 649869389 /nfs/dbraw/zinc/86/93/89/649869389.db2.gz BTLXQBVNRSCMKV-ARJAWSKDSA-N 1 0 315.339 2.034 20 10 DECDRO C[C@@H](CN1CCCC1=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036090 649869977 /nfs/dbraw/zinc/86/99/77/649869977.db2.gz OFUNXIVVJIGGAK-VOKGJARPSA-N 1 0 301.434 2.366 20 10 DECDRO CC(=O)NCC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271150944 519654784 /nfs/dbraw/zinc/65/47/84/519654784.db2.gz UJLLNATYYVRLTO-UHFFFAOYSA-N 1 0 307.413 2.240 20 10 DECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179939933 519896145 /nfs/dbraw/zinc/89/61/45/519896145.db2.gz SLLFLRKTRHKQSW-ZDUSSCGKSA-N 1 0 306.406 2.139 20 10 DECDRO CCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000154567645 519916609 /nfs/dbraw/zinc/91/66/09/519916609.db2.gz FRHMQAGNQYTXPO-UHFFFAOYSA-N 1 0 300.406 2.219 20 10 DECDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159138069 520271013 /nfs/dbraw/zinc/27/10/13/520271013.db2.gz HBALTBHNJRGRDN-QGZVFWFLSA-N 1 0 314.385 2.407 20 10 DECDRO CCCOc1ccc(C[NH+]2CCC(C(=O)NC)CC2)c(O)c1 ZINC000155998019 520347988 /nfs/dbraw/zinc/34/79/88/520347988.db2.gz CTIAQQIHORNEFM-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000364220759 520903710 /nfs/dbraw/zinc/90/37/10/520903710.db2.gz YTJXVSHZXCYTHM-WMZOPIPTSA-N 1 0 301.434 2.149 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000182531174 522360860 /nfs/dbraw/zinc/36/08/60/522360860.db2.gz MWMHLKFMESWCFK-GFCCVEGCSA-N 1 0 307.346 2.480 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccsc2)cc1OC ZINC000182405078 522781907 /nfs/dbraw/zinc/78/19/07/522781907.db2.gz VAFLHKVWCWGEBB-INIZCTEOSA-N 1 0 323.414 2.468 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC3CC[NH2+]CC3)ccc21 ZINC000237128204 523858919 /nfs/dbraw/zinc/85/89/19/523858919.db2.gz HMUJIAJRWBEACY-UHFFFAOYSA-N 1 0 301.434 2.075 20 10 DECDRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(N)cc3)c2)CC1 ZINC000237219124 523910589 /nfs/dbraw/zinc/91/05/89/523910589.db2.gz JOFVAQGMFZJVKU-UHFFFAOYSA-N 1 0 324.428 2.269 20 10 DECDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000372741618 534852184 /nfs/dbraw/zinc/85/21/84/534852184.db2.gz QJCYLMMZNMPEDC-CQSZACIVSA-N 1 0 315.373 2.500 20 10 DECDRO COCCN1CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835041543 649870349 /nfs/dbraw/zinc/87/03/49/649870349.db2.gz YDWZJOZSQZFIHV-LAQIPUCWSA-N 1 0 303.450 2.076 20 10 DECDRO C[C@@H]1COCCN1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042518 649870743 /nfs/dbraw/zinc/87/07/43/649870743.db2.gz ISDJCIYHXGHYEW-DWTRPJMMSA-N 1 0 303.450 2.076 20 10 DECDRO COC1(CO)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835051810 649872535 /nfs/dbraw/zinc/87/25/35/649872535.db2.gz JYJNICNFISEKDF-SNAWJCMRSA-N 1 0 304.434 2.239 20 10 DECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055563 649872921 /nfs/dbraw/zinc/87/29/21/649872921.db2.gz WIKMFSKSGHIMSZ-FPZRGXOSSA-N 1 0 304.434 2.407 20 10 DECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055566 649872983 /nfs/dbraw/zinc/87/29/83/649872983.db2.gz WIKMFSKSGHIMSZ-ZFTGLFDFSA-N 1 0 304.434 2.407 20 10 DECDRO C[N@H+](CCNC(=O)c1cccc(O)c1O)Cc1ccc(F)cc1 ZINC000193127411 625604756 /nfs/dbraw/zinc/60/47/56/625604756.db2.gz OHDDMROXDXODTD-UHFFFAOYSA-N 1 0 318.348 2.099 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c(O)c1OC ZINC000892439454 625647827 /nfs/dbraw/zinc/64/78/27/625647827.db2.gz VXRVQEIVCGHERA-ZDUSSCGKSA-N 1 0 320.389 2.395 20 10 DECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C)c(O)c1O ZINC000179497359 625657886 /nfs/dbraw/zinc/65/78/86/625657886.db2.gz GXAKBURWRQQIJV-ZDUSSCGKSA-N 1 0 306.406 2.401 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)CSC2CC2)[NH+](C)C)cc1 ZINC000891246657 623790699 /nfs/dbraw/zinc/79/06/99/623790699.db2.gz DJHOYDVWAVLHPR-INIZCTEOSA-N 1 0 321.490 2.367 20 10 DECDRO CS/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250652 623795624 /nfs/dbraw/zinc/79/56/24/623795624.db2.gz BHWRXJMGLXKINS-NKSUMMKUSA-N 1 0 307.463 2.348 20 10 DECDRO CCC[C@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251064 623797244 /nfs/dbraw/zinc/79/72/44/623797244.db2.gz CUXVOBBFESLMRC-AEFFLSMTSA-N 1 0 321.465 2.023 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c(O)c1OC ZINC000893128903 625129390 /nfs/dbraw/zinc/12/93/90/625129390.db2.gz ZPADHBUXXXMIMO-DGCLKSJQSA-N 1 0 306.406 2.124 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c(O)c1OC ZINC000893128904 625129458 /nfs/dbraw/zinc/12/94/58/625129458.db2.gz ZPADHBUXXXMIMO-WCQYABFASA-N 1 0 306.406 2.124 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000840898128 625135221 /nfs/dbraw/zinc/13/52/21/625135221.db2.gz FODBHIUKDFVKQT-JTQLQIEISA-N 1 0 303.811 2.021 20 10 DECDRO O=[S@@](CC[NH2+]Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000850348586 625146767 /nfs/dbraw/zinc/14/67/67/625146767.db2.gz PFNFSRGTIOGLQV-IBGZPJMESA-N 1 0 315.744 2.446 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000892614956 625196359 /nfs/dbraw/zinc/19/63/59/625196359.db2.gz OWYGGQGVKNQRJG-GDBMZVCRSA-N 1 0 324.490 2.446 20 10 DECDRO COc1ccc(C[NH2+]CCCn2ccnc2C)c(O)c1OC ZINC000892624885 625201237 /nfs/dbraw/zinc/20/12/37/625201237.db2.gz YUPCEWWZDZTGIF-UHFFFAOYSA-N 1 0 305.378 2.094 20 10 DECDRO CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001025171880 625244227 /nfs/dbraw/zinc/24/42/27/625244227.db2.gz SXGAMRXVKNPZBE-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO COc1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)c(O)c1OC ZINC000892964751 625815362 /nfs/dbraw/zinc/81/53/62/625815362.db2.gz ACTASRILPMRBLX-UHFFFAOYSA-N 1 0 305.378 2.168 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](C)N1CCOCC1 ZINC000921697770 634781164 /nfs/dbraw/zinc/78/11/64/634781164.db2.gz ICZDGQMVAOFTDS-HUUCEWRRSA-N 1 0 304.434 2.210 20 10 DECDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000836855660 650136912 /nfs/dbraw/zinc/13/69/12/650136912.db2.gz SWSXYRVKXZKMPZ-CLFYSBASSA-N 1 0 306.406 2.348 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000922056281 635830665 /nfs/dbraw/zinc/83/06/65/635830665.db2.gz XOAZRVOJLXKINQ-XEZPLFJOSA-N 1 0 304.438 2.205 20 10 DECDRO CO[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000231205590 635889599 /nfs/dbraw/zinc/88/95/99/635889599.db2.gz WSHNCFSOMRKDEO-CYBMUJFWSA-N 1 0 316.195 2.050 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922184800 635978258 /nfs/dbraw/zinc/97/82/58/635978258.db2.gz PSUBYVLSZUIESP-UHFFFAOYSA-N 1 0 323.458 2.316 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000237489469 636006486 /nfs/dbraw/zinc/00/64/86/636006486.db2.gz XTCSCERBRMAMKV-DOMZBBRYSA-N 1 0 312.417 2.441 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnn(CCF)c3)C2)cc1 ZINC000922238682 636023725 /nfs/dbraw/zinc/02/37/25/636023725.db2.gz WROBLRRTAVGKNU-OAHLLOKOSA-N 1 0 318.396 2.230 20 10 DECDRO COCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893924828 636066789 /nfs/dbraw/zinc/06/67/89/636066789.db2.gz SOLCGVBWPPGIDF-UHFFFAOYSA-N 1 0 308.353 2.182 20 10 DECDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922303447 636073519 /nfs/dbraw/zinc/07/35/19/636073519.db2.gz VLZXYWOGIUVYNH-UHFFFAOYSA-N 1 0 321.417 2.460 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)OCO2 ZINC000922464569 636188456 /nfs/dbraw/zinc/18/84/56/636188456.db2.gz VWPRBKLIJCLWIN-RNCFNFMXSA-N 1 0 319.279 2.320 20 10 DECDRO CN(C)[C@@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000922752714 636375371 /nfs/dbraw/zinc/37/53/71/636375371.db2.gz UXJZOTUYOFGMLM-ZDUSSCGKSA-N 1 0 320.311 2.093 20 10 DECDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2c(O)cccc2F)C1 ZINC000922854838 636441422 /nfs/dbraw/zinc/44/14/22/636441422.db2.gz YIAJXXMVTIXFNF-GFCCVEGCSA-N 1 0 309.385 2.062 20 10 DECDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256789 636581795 /nfs/dbraw/zinc/58/17/95/636581795.db2.gz WODLAQRHLVLGOC-KBPBESRZSA-N 1 0 312.360 2.205 20 10 DECDRO COc1ccc(N2CC[C@H](CNc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894268797 636627132 /nfs/dbraw/zinc/62/71/32/636627132.db2.gz MYTVLGWOORBWGP-CYBMUJFWSA-N 1 0 313.405 2.314 20 10 DECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000164401368 636662194 /nfs/dbraw/zinc/66/21/94/636662194.db2.gz UMTXNFQZMXIDTL-AWEZNQCLSA-N 1 0 309.431 2.490 20 10 DECDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(O)c1O ZINC000187014447 636670475 /nfs/dbraw/zinc/67/04/75/636670475.db2.gz CKSIZCLUUGPIII-JHJVBQTASA-N 1 0 306.406 2.194 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1OC ZINC000894306869 636773925 /nfs/dbraw/zinc/77/39/25/636773925.db2.gz VIVLKIRSDGRAIJ-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922939716 636865013 /nfs/dbraw/zinc/86/50/13/636865013.db2.gz SQOWEIWDYRKERF-GFCCVEGCSA-N 1 0 316.195 2.050 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000922950780 636880191 /nfs/dbraw/zinc/88/01/91/636880191.db2.gz DFAJMVMQSYLLOE-GOSISDBHSA-N 1 0 303.450 2.096 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1 ZINC000923021519 636915319 /nfs/dbraw/zinc/91/53/19/636915319.db2.gz QJNNLDCLKWQXHS-ZGQVYYGYSA-N 1 0 316.445 2.285 20 10 DECDRO C[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894696003 637168802 /nfs/dbraw/zinc/16/88/02/637168802.db2.gz UZENOEKFRGTCML-DAXOMENPSA-N 1 0 304.438 2.063 20 10 DECDRO COc1cc(C)cc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000894765978 637202905 /nfs/dbraw/zinc/20/29/05/637202905.db2.gz MFWGTFNKXJDUFL-INIZCTEOSA-N 1 0 322.449 2.252 20 10 DECDRO COc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)c(O)c1OC ZINC000894889520 637297500 /nfs/dbraw/zinc/29/75/00/637297500.db2.gz MOYINYHXPJWGIP-UHFFFAOYSA-N 1 0 317.389 2.091 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000164528838 637494247 /nfs/dbraw/zinc/49/42/47/637494247.db2.gz JAJLWCUFGRGIMK-UHFFFAOYSA-N 1 0 307.390 2.091 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000840881655 650370836 /nfs/dbraw/zinc/37/08/36/650370836.db2.gz FAUAIHFVUHIABX-GFCCVEGCSA-N 1 0 323.458 2.499 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)S(C)(=O)=O)c(Cl)c1 ZINC000840902111 650374379 /nfs/dbraw/zinc/37/43/79/650374379.db2.gz MWHZPUJHGHOCQF-UHFFFAOYSA-N 1 0 305.827 2.267 20 10 DECDRO CC[C@H](CO)[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840916221 650379766 /nfs/dbraw/zinc/37/97/66/650379766.db2.gz IFNDWFXKXCUSSI-CYBMUJFWSA-N 1 0 312.841 2.243 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000840916053 650379771 /nfs/dbraw/zinc/37/97/71/650379771.db2.gz WEPKNRORZNJMPR-UHFFFAOYSA-N 1 0 319.493 2.340 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000840929411 650387567 /nfs/dbraw/zinc/38/75/67/650387567.db2.gz CWVFAORYDJRURG-UHFFFAOYSA-N 1 0 322.416 2.327 20 10 DECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370641 638064377 /nfs/dbraw/zinc/06/43/77/638064377.db2.gz GHMUTNHPQKPHET-GOEBONIOSA-N 1 0 322.474 2.200 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000895535595 638075433 /nfs/dbraw/zinc/07/54/33/638075433.db2.gz APICRPLUNCOWJZ-MRXNPFEDSA-N 1 0 321.417 2.466 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840938563 650390528 /nfs/dbraw/zinc/39/05/28/650390528.db2.gz ORIYVGSTXCIBFK-OAHLLOKOSA-N 1 0 305.422 2.381 20 10 DECDRO COCCn1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cn1 ZINC000840942873 650391781 /nfs/dbraw/zinc/39/17/81/650391781.db2.gz KDNIVSDWHHEHPE-UHFFFAOYSA-N 1 0 309.797 2.487 20 10 DECDRO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(F)ccc1O ZINC000895634262 638116253 /nfs/dbraw/zinc/11/62/53/638116253.db2.gz KSSQNEXODPQQSM-SFHVURJKSA-N 1 0 317.360 2.464 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1F ZINC000840960043 650395270 /nfs/dbraw/zinc/39/52/70/650395270.db2.gz CGQRMZZKJPFHJZ-UHFFFAOYSA-N 1 0 316.442 2.195 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000895676500 638139232 /nfs/dbraw/zinc/13/92/32/638139232.db2.gz AYXUCAVIQCMGFZ-SNVBAGLBSA-N 1 0 315.238 2.049 20 10 DECDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000840961390 650395517 /nfs/dbraw/zinc/39/55/17/650395517.db2.gz ASHJNCOLGYPMSG-UHFFFAOYSA-N 1 0 322.474 2.344 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1O ZINC000840963042 650395706 /nfs/dbraw/zinc/39/57/06/650395706.db2.gz KOMZLGAVEDZFDS-CQSZACIVSA-N 1 0 305.349 2.406 20 10 DECDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000895707411 638153836 /nfs/dbraw/zinc/15/38/36/638153836.db2.gz LMWXKRACPHSBBZ-MEJMFZKBSA-N 1 0 305.296 2.325 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)C(=O)NC(C)C)ccc1OC ZINC000840974728 650398025 /nfs/dbraw/zinc/39/80/25/650398025.db2.gz NQSYLHFOWVFEAH-CYBMUJFWSA-N 1 0 308.422 2.234 20 10 DECDRO COC(=O)N[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000895849249 638232108 /nfs/dbraw/zinc/23/21/08/638232108.db2.gz VNLMZSWYFCGTEV-XVWMLYKFSA-N 1 0 303.406 2.196 20 10 DECDRO CCCC[C@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841029874 650408788 /nfs/dbraw/zinc/40/87/88/650408788.db2.gz SZNHOOPZWKBKBK-OAHLLOKOSA-N 1 0 309.429 2.269 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841038964 650410972 /nfs/dbraw/zinc/41/09/72/650410972.db2.gz VVITWFJFAZOWRP-HNNXBMFYSA-N 1 0 309.429 2.125 20 10 DECDRO CN(C)c1ncc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841041207 650411870 /nfs/dbraw/zinc/41/18/70/650411870.db2.gz BXFJLEJQXKNFFU-OAHLLOKOSA-N 1 0 319.478 2.065 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000841042086 650411882 /nfs/dbraw/zinc/41/18/82/650411882.db2.gz HLHKQODCSIRISC-QGZVFWFLSA-N 1 0 314.389 2.450 20 10 DECDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896267815 638443120 /nfs/dbraw/zinc/44/31/20/638443120.db2.gz OEBDUVZCNAKGKO-SNVBAGLBSA-N 1 0 320.414 2.384 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000896396391 638501862 /nfs/dbraw/zinc/50/18/62/638501862.db2.gz PJNFKAIJHYUCPN-SJKOYZFVSA-N 1 0 320.389 2.111 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1 ZINC000896397068 638502233 /nfs/dbraw/zinc/50/22/33/638502233.db2.gz UREWZFFNVMMUGK-CXAGYDPISA-N 1 0 320.389 2.111 20 10 DECDRO CCN(CC)c1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1F ZINC000841100943 650431298 /nfs/dbraw/zinc/43/12/98/650431298.db2.gz PMRMSAMWAUGUAD-HNNXBMFYSA-N 1 0 309.429 2.222 20 10 DECDRO COc1cccc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1O ZINC000841102979 650431401 /nfs/dbraw/zinc/43/14/01/650431401.db2.gz BKGZWPLMNREZPN-GOEBONIOSA-N 1 0 316.376 2.467 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC2)ccc1N1CCCCC1 ZINC000752106410 639156763 /nfs/dbraw/zinc/15/67/63/639156763.db2.gz VSUHWWUATQHIHB-AWEZNQCLSA-N 1 0 305.378 2.464 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000897229264 639260884 /nfs/dbraw/zinc/26/08/84/639260884.db2.gz SIFNWWWYQGTQHJ-MRXNPFEDSA-N 1 0 320.433 2.052 20 10 DECDRO COC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000753172344 639265930 /nfs/dbraw/zinc/26/59/30/639265930.db2.gz QXLFLKQFHVCJMQ-UHFFFAOYSA-N 1 0 321.373 2.286 20 10 DECDRO COC(=O)C[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000754541816 639442246 /nfs/dbraw/zinc/44/22/46/639442246.db2.gz STZVKXQIMJCOEJ-AWEZNQCLSA-N 1 0 309.337 2.165 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CN(C)C[C@@H]3C)CC2)cc1 ZINC000756112728 639626968 /nfs/dbraw/zinc/62/69/68/639626968.db2.gz GZWYYMKLIGMSFG-KBXCAEBGSA-N 1 0 303.450 2.204 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000756450895 639664024 /nfs/dbraw/zinc/66/40/24/639664024.db2.gz VFKLCPROFAWADP-KRWDZBQOSA-N 1 0 314.433 2.498 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCC2CC2)c2c1c(F)ccc2O ZINC000756512124 639667889 /nfs/dbraw/zinc/66/78/89/639667889.db2.gz VOYREGXDGJYLCO-QKCSRTOESA-N 1 0 309.381 2.457 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000756546408 639671975 /nfs/dbraw/zinc/67/19/75/639671975.db2.gz PPQINIWEMQKPRX-LBPRGKRZSA-N 1 0 306.406 2.171 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000756553952 639674043 /nfs/dbraw/zinc/67/40/43/639674043.db2.gz NKRJXFKUTGVDJR-QWHCGFSZSA-N 1 0 306.406 2.171 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000756662174 639683354 /nfs/dbraw/zinc/68/33/54/639683354.db2.gz XGOYHPSZGJNZMQ-QWHCGFSZSA-N 1 0 305.374 2.496 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756703286 639687411 /nfs/dbraw/zinc/68/74/11/639687411.db2.gz AWTWBXWBFMJHBU-SCVCMEIPSA-N 1 0 315.410 2.492 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000841719119 650551213 /nfs/dbraw/zinc/55/12/13/650551213.db2.gz YVZSJJQBABEXKC-CVEARBPZSA-N 1 0 318.465 2.459 20 10 DECDRO CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840997358 640086526 /nfs/dbraw/zinc/08/65/26/640086526.db2.gz YSOAPEPGMZPGNP-OAHLLOKOSA-N 1 0 319.449 2.124 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709376 650546952 /nfs/dbraw/zinc/54/69/52/650546952.db2.gz DXPCPPKHHYMVSN-LSDHHAIUSA-N 1 0 316.449 2.179 20 10 DECDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000841710085 650547123 /nfs/dbraw/zinc/54/71/23/650547123.db2.gz SGXYJJZNQMSBFJ-YOEHRIQHSA-N 1 0 316.449 2.166 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CCCCC2)cc1F ZINC000841760623 650558516 /nfs/dbraw/zinc/55/85/16/650558516.db2.gz LHHFOCVUVRRIPK-UHFFFAOYSA-N 1 0 322.428 2.353 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841761289 650558584 /nfs/dbraw/zinc/55/85/84/650558584.db2.gz ONSPGVITXGMFHU-TZMCWYRMSA-N 1 0 322.428 2.161 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000841761230 650558587 /nfs/dbraw/zinc/55/85/87/650558587.db2.gz OEDVUGXKBKOGAY-DZGCQCFKSA-N 1 0 322.428 2.208 20 10 DECDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000841759397 650558659 /nfs/dbraw/zinc/55/86/59/650558659.db2.gz FOUZPXLMYCHTTE-LBPRGKRZSA-N 1 0 322.428 2.161 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761215500 640286262 /nfs/dbraw/zinc/28/62/62/640286262.db2.gz MESUKSPFJYXDQN-VXGBXAGGSA-N 1 0 312.797 2.059 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787914 640460020 /nfs/dbraw/zinc/46/00/20/640460020.db2.gz OADRMJVFLFQBCG-LPHOPBHVSA-N 1 0 317.477 2.394 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881662 650591207 /nfs/dbraw/zinc/59/12/07/650591207.db2.gz BKXYFDBNSVNLNX-HZSPNIEDSA-N 1 0 304.438 2.205 20 10 DECDRO C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841881622 650591252 /nfs/dbraw/zinc/59/12/52/650591252.db2.gz APSBGMZPSHNRPT-GRTSSRMGSA-N 1 0 304.438 2.383 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841893461 650595563 /nfs/dbraw/zinc/59/55/63/650595563.db2.gz FKQPMEDNJVFFJQ-LLVKDONJSA-N 1 0 320.767 2.483 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)ccc1OC ZINC000765799522 640820362 /nfs/dbraw/zinc/82/03/62/640820362.db2.gz YIZAEGXHKGAUHN-HOTGVXAUSA-N 1 0 320.433 2.236 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(N3CCCOC3=O)CC2)c1 ZINC000897591979 640831613 /nfs/dbraw/zinc/83/16/13/640831613.db2.gz IOJSWZPKTLKYTB-UHFFFAOYSA-N 1 0 320.389 2.208 20 10 DECDRO [NH3+][C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000841966350 650615273 /nfs/dbraw/zinc/61/52/73/650615273.db2.gz UOJQGJIMCVHWOB-LLVKDONJSA-N 1 0 318.204 2.236 20 10 DECDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841987390 650620082 /nfs/dbraw/zinc/62/00/82/650620082.db2.gz MWSHLEYFCWENHR-DZGCQCFKSA-N 1 0 304.438 2.035 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000841982107 650618910 /nfs/dbraw/zinc/61/89/10/650618910.db2.gz OTSPFASGJFDBSL-CABCVRRESA-N 1 0 304.438 2.164 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]1 ZINC000841984664 650619740 /nfs/dbraw/zinc/61/97/40/650619740.db2.gz CQXCOKBXDSHEBX-OCCSQVGLSA-N 1 0 317.433 2.211 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3COCC[C@H]3OC)CC2)cc1 ZINC000897891694 640965376 /nfs/dbraw/zinc/96/53/76/640965376.db2.gz LORAZCDQWICTKB-QZTJIDSGSA-N 1 0 320.433 2.058 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c(O)c1 ZINC000898116192 641025567 /nfs/dbraw/zinc/02/55/67/641025567.db2.gz NWILDTOQXMHNHE-MRXNPFEDSA-N 1 0 307.390 2.219 20 10 DECDRO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445736 641082632 /nfs/dbraw/zinc/08/26/32/641082632.db2.gz HEVCGGIEGIEUIC-CJNGLKHVSA-N 1 0 307.390 2.065 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768461864 641084469 /nfs/dbraw/zinc/08/44/69/641084469.db2.gz GQTSOKSVXDHWBT-GDZNZVCISA-N 1 0 319.401 2.067 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000768952794 641149196 /nfs/dbraw/zinc/14/91/96/641149196.db2.gz ROGMRLPKRSSMLH-LLVKDONJSA-N 1 0 310.394 2.404 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769060908 641164046 /nfs/dbraw/zinc/16/40/46/641164046.db2.gz GUUFRCBKQGURBL-LBPRGKRZSA-N 1 0 322.405 2.500 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769329797 641218792 /nfs/dbraw/zinc/21/87/92/641218792.db2.gz VBDMKLOTWAOZQG-GDBMZVCRSA-N 1 0 310.825 2.077 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2cc(C)c(C)cc2O)CCCOC1 ZINC000770675801 641406499 /nfs/dbraw/zinc/40/64/99/641406499.db2.gz GESMYXBGKQLZMX-QGZVFWFLSA-N 1 0 307.390 2.211 20 10 DECDRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1C ZINC000842167582 650665096 /nfs/dbraw/zinc/66/50/96/650665096.db2.gz VCKKWVFYKHEWBS-ILXRZTDVSA-N 1 0 303.450 2.345 20 10 DECDRO CC[C@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000771847899 641560601 /nfs/dbraw/zinc/56/06/01/641560601.db2.gz QGXYMAKWYLKBCP-AWEZNQCLSA-N 1 0 310.463 2.057 20 10 DECDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000842225887 650672936 /nfs/dbraw/zinc/67/29/36/650672936.db2.gz KWWVLDFMEMVSNO-MSOLQXFVSA-N 1 0 306.450 2.288 20 10 DECDRO C[C@@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+](C)C ZINC000898668401 641748187 /nfs/dbraw/zinc/74/81/87/641748187.db2.gz GRIYFGRPSFDHMZ-VIFPVBQESA-N 1 0 308.403 2.383 20 10 DECDRO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773363070 641765073 /nfs/dbraw/zinc/76/50/73/641765073.db2.gz FFSWTDACYQHVQQ-CYBMUJFWSA-N 1 0 304.438 2.207 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000775711487 642083613 /nfs/dbraw/zinc/08/36/13/642083613.db2.gz BJZLPSCSTOECGK-OLZOCXBDSA-N 1 0 308.422 2.324 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000775757971 642090471 /nfs/dbraw/zinc/09/04/71/642090471.db2.gz MTRGDRDLZAMKDX-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC[NH+](C)CC1 ZINC000899908566 642205449 /nfs/dbraw/zinc/20/54/49/642205449.db2.gz ALWGMXDGHNSNIT-UHFFFAOYSA-N 1 0 320.414 2.479 20 10 DECDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000779022493 642456960 /nfs/dbraw/zinc/45/69/60/642456960.db2.gz CDMCYJGSDQDRMO-CYBMUJFWSA-N 1 0 300.406 2.406 20 10 DECDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000779022506 642457026 /nfs/dbraw/zinc/45/70/26/642457026.db2.gz CTRGLTIHRUCTLB-CQSZACIVSA-N 1 0 324.440 2.428 20 10 DECDRO OCC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779202208 642471956 /nfs/dbraw/zinc/47/19/56/642471956.db2.gz LNYPNFUABNIZID-HNNXBMFYSA-N 1 0 308.397 2.009 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1F ZINC000779208177 642473087 /nfs/dbraw/zinc/47/30/87/642473087.db2.gz CYKXTBAQQYMWCZ-UHFFFAOYSA-N 1 0 302.340 2.484 20 10 DECDRO CCC[NH+]1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779473585 642503315 /nfs/dbraw/zinc/50/33/15/642503315.db2.gz UPLUYRPIYKOCQH-XQRVVYSFSA-N 1 0 304.390 2.102 20 10 DECDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000842515181 650759013 /nfs/dbraw/zinc/75/90/13/650759013.db2.gz WAFMHPPSUXMLLZ-QGZVFWFLSA-N 1 0 301.434 2.048 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000901129170 642572007 /nfs/dbraw/zinc/57/20/07/642572007.db2.gz AGYIAGRPTPSAFQ-UKRRQHHQSA-N 1 0 304.390 2.034 20 10 DECDRO C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CC[N@@H+]1CC(C)(C)O ZINC000780504890 642632766 /nfs/dbraw/zinc/63/27/66/642632766.db2.gz ZPLKLDOBWFSTPA-CQSZACIVSA-N 1 0 318.461 2.158 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1C ZINC000902640826 643095391 /nfs/dbraw/zinc/09/53/91/643095391.db2.gz NFPKWVAEKRXCNM-IRXDYDNUSA-N 1 0 304.434 2.040 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000784669804 643163537 /nfs/dbraw/zinc/16/35/37/643163537.db2.gz KLZPEVFOQVTOND-WKILWMFISA-N 1 0 322.424 2.398 20 10 DECDRO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc(N2CCOCC2)cc1 ZINC000785780879 643280874 /nfs/dbraw/zinc/28/08/74/643280874.db2.gz KFYMJWAHYYNPON-AWEZNQCLSA-N 1 0 312.417 2.351 20 10 DECDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO[C@H]1C ZINC000903447831 643354695 /nfs/dbraw/zinc/35/46/95/643354695.db2.gz CWGHXCNOSHMVSU-USJZOSNVSA-N 1 0 305.466 2.368 20 10 DECDRO COC1(OC)CC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448776 643354881 /nfs/dbraw/zinc/35/48/81/643354881.db2.gz SLIWETMHHAMBNP-IAGOWNOFSA-N 1 0 321.465 2.096 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H]1C ZINC000787324340 643481408 /nfs/dbraw/zinc/48/14/08/643481408.db2.gz IVKDGOUCLWHWLL-RNCFNFMXSA-N 1 0 309.337 2.117 20 10 DECDRO COC(=O)COc1ccc(N(C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904345225 643641144 /nfs/dbraw/zinc/64/11/44/643641144.db2.gz AVFLKSANSSPXLM-KRWDZBQOSA-N 1 0 306.406 2.064 20 10 DECDRO CCC[C@](C)([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000789898725 643787345 /nfs/dbraw/zinc/78/73/45/643787345.db2.gz ZBGXIEMBOHSAKN-SFHVURJKSA-N 1 0 319.449 2.171 20 10 DECDRO OC1(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000790636977 643875560 /nfs/dbraw/zinc/87/55/60/643875560.db2.gz CVFHRPGOPYWCTQ-UHFFFAOYSA-N 1 0 308.397 2.057 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000790758791 643890064 /nfs/dbraw/zinc/89/00/64/643890064.db2.gz GDIYEPOHFOWAQN-CABCVRRESA-N 1 0 311.422 2.074 20 10 DECDRO COc1c([O-])c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000843055899 650879280 /nfs/dbraw/zinc/87/92/80/650879280.db2.gz ALMOQUAUWPFJOM-GFCCVEGCSA-N 1 0 311.382 2.114 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)CCCC2 ZINC000905697749 644017908 /nfs/dbraw/zinc/01/79/08/644017908.db2.gz YPJCOHOQUKXNAO-OAHLLOKOSA-N 1 0 303.402 2.466 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000794710597 644464684 /nfs/dbraw/zinc/46/46/84/644464684.db2.gz ZBTHTZREMLDGPI-GUYCJALGSA-N 1 0 307.390 2.089 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSC(F)(F)F)cc1 ZINC000843299793 650944820 /nfs/dbraw/zinc/94/48/20/650944820.db2.gz WORLBEMQKBEYOT-LLVKDONJSA-N 1 0 321.368 2.122 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000796581696 644758377 /nfs/dbraw/zinc/75/83/77/644758377.db2.gz HGMXKHCXGFEMQK-UHFFFAOYSA-N 1 0 322.380 2.225 20 10 DECDRO C[C@@H]1CCCCN1C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350204 650954650 /nfs/dbraw/zinc/95/46/50/650954650.db2.gz PCDQTVRXABATJZ-CQSZACIVSA-N 1 0 301.434 2.299 20 10 DECDRO COCc1noc([C@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349797 650954820 /nfs/dbraw/zinc/95/48/20/650954820.db2.gz CSRIKYDCNVWWRB-NSHDSACASA-N 1 0 302.378 2.189 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843380119 650962493 /nfs/dbraw/zinc/96/24/93/650962493.db2.gz PIIWGZTVMOXCOT-KRWDZBQOSA-N 1 0 306.381 2.309 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000843416887 650970596 /nfs/dbraw/zinc/97/05/96/650970596.db2.gz ZPDFGMWIPMGDEO-CQSZACIVSA-N 1 0 314.389 2.267 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000843418104 650970773 /nfs/dbraw/zinc/97/07/73/650970773.db2.gz QJIJUVHJFSISEF-MRXNPFEDSA-N 1 0 309.431 2.499 20 10 DECDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000799027046 645110089 /nfs/dbraw/zinc/11/00/89/645110089.db2.gz TVYPGTNZNQXHIW-SOFGYWHQSA-N 1 0 304.390 2.055 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799337257 645161366 /nfs/dbraw/zinc/16/13/66/645161366.db2.gz VSYGJBXEWSJNMH-UHFFFAOYSA-N 1 0 301.268 2.433 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000910558264 645501787 /nfs/dbraw/zinc/50/17/87/645501787.db2.gz NBVUBGDLSHZFEY-HNNXBMFYSA-N 1 0 315.461 2.204 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911262125 645668263 /nfs/dbraw/zinc/66/82/63/645668263.db2.gz OXSOGVSXJGCIEW-CQSZACIVSA-N 1 0 313.401 2.429 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000807549004 645961475 /nfs/dbraw/zinc/96/14/75/645961475.db2.gz KXSHASDIBAZNCG-HNNXBMFYSA-N 1 0 305.422 2.408 20 10 DECDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C12CCC2 ZINC000840140269 646092105 /nfs/dbraw/zinc/09/21/05/646092105.db2.gz MUXJMGZYSLTFFH-DJIMGWMZSA-N 1 0 319.401 2.207 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000808696870 646130560 /nfs/dbraw/zinc/13/05/60/646130560.db2.gz ZFSKAXRQAGRVSF-TZMCWYRMSA-N 1 0 311.857 2.250 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncn3)CC1)OCO2 ZINC000840170764 646216208 /nfs/dbraw/zinc/21/62/08/646216208.db2.gz TYXMJILBYWVKGY-UHFFFAOYSA-N 1 0 313.357 2.291 20 10 DECDRO COC(=O)CCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000809727176 646268514 /nfs/dbraw/zinc/26/85/14/646268514.db2.gz FIRCRBPFAPFGIU-UHFFFAOYSA-N 1 0 320.433 2.346 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840185172 646285818 /nfs/dbraw/zinc/28/58/18/646285818.db2.gz DOMOANQTEBMCOM-OAHLLOKOSA-N 1 0 321.442 2.219 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3cnn(C)c3)CC2)c1 ZINC000164438865 646444426 /nfs/dbraw/zinc/44/44/26/646444426.db2.gz WTKPNYQNBCRPGN-UHFFFAOYSA-N 1 0 300.406 2.065 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000046072283 646543031 /nfs/dbraw/zinc/54/30/31/646543031.db2.gz JDKBIGODQCUHIE-UHFFFAOYSA-N 1 0 318.465 2.425 20 10 DECDRO Cn1ccc(CC[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000230882939 646750682 /nfs/dbraw/zinc/75/06/82/646750682.db2.gz BKRYBSDXIYZCOY-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO COc1cccc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1O ZINC000813329203 646756312 /nfs/dbraw/zinc/75/63/12/646756312.db2.gz YIKDMKYHGJUGET-AAEUAGOBSA-N 1 0 307.312 2.438 20 10 DECDRO C[C@H]([NH2+]C1COCCOC1)c1cc(Br)ccc1O ZINC000813880826 646818508 /nfs/dbraw/zinc/81/85/08/646818508.db2.gz QLGQACRTVYBTLV-VIFPVBQESA-N 1 0 316.195 2.221 20 10 DECDRO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000741054441 646952097 /nfs/dbraw/zinc/95/20/97/646952097.db2.gz OFKGVHLHRJNXKB-LSDHHAIUSA-N 1 0 303.450 2.441 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000151594615 646978839 /nfs/dbraw/zinc/97/88/39/646978839.db2.gz VZAZSWYSQJSKRY-LJQANCHMSA-N 1 0 318.461 2.410 20 10 DECDRO Cc1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1N(C)C ZINC000815288765 646998145 /nfs/dbraw/zinc/99/81/45/646998145.db2.gz BUIYWNOGXDKTBK-OALUTQOASA-N 1 0 318.461 2.471 20 10 DECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815561941 647031073 /nfs/dbraw/zinc/03/10/73/647031073.db2.gz TUNAKBVWTYLZIX-INIZCTEOSA-N 1 0 308.397 2.319 20 10 DECDRO COc1cccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816654846 647163537 /nfs/dbraw/zinc/16/35/37/647163537.db2.gz CGMIEXQRQCVMLT-UHFFFAOYSA-N 1 0 308.378 2.063 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(O)c1 ZINC000816666133 647165601 /nfs/dbraw/zinc/16/56/01/647165601.db2.gz FOEZUGBSTDAUQQ-MSOLQXFVSA-N 1 0 321.417 2.201 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000914254923 647241242 /nfs/dbraw/zinc/24/12/42/647241242.db2.gz VGMLBIWLRMKQHO-RHSMWYFYSA-N 1 0 318.465 2.425 20 10 DECDRO CON1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000817585256 647322636 /nfs/dbraw/zinc/32/26/36/647322636.db2.gz DMRFZKBNWCNVCL-HNNXBMFYSA-N 1 0 319.449 2.200 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000817866072 647368971 /nfs/dbraw/zinc/36/89/71/647368971.db2.gz VXJKTAGGOUZGRL-OBJOEFQTSA-N 1 0 308.422 2.215 20 10 DECDRO C[C@@H](NCC1C[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817964683 647394673 /nfs/dbraw/zinc/39/46/73/647394673.db2.gz DRUIHCQGICQYNR-GFCCVEGCSA-N 1 0 309.841 2.047 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)cnn3C)C2)cc1 ZINC000818220172 647435103 /nfs/dbraw/zinc/43/51/03/647435103.db2.gz GGAYJAMVUGUALO-OAHLLOKOSA-N 1 0 314.433 2.353 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(CO)o3)C2)cc1 ZINC000818220978 647436179 /nfs/dbraw/zinc/43/61/79/647436179.db2.gz KDCSFIOFQCAQTE-AWEZNQCLSA-N 1 0 316.401 2.397 20 10 DECDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCSc1nccs1 ZINC000818649089 647495009 /nfs/dbraw/zinc/49/50/09/647495009.db2.gz ANBCUDFVCLECTM-GHMZBOCLSA-N 1 0 314.480 2.194 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2ccco2)cc1 ZINC000818941576 647544365 /nfs/dbraw/zinc/54/43/65/647544365.db2.gz LEYGKNNVEHASOQ-MRXNPFEDSA-N 1 0 304.390 2.013 20 10 DECDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819038808 647570311 /nfs/dbraw/zinc/57/03/11/647570311.db2.gz IQAVXRJERSJYEF-UHFFFAOYSA-N 1 0 324.490 2.447 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819077404 647579146 /nfs/dbraw/zinc/57/91/46/647579146.db2.gz KMEITDSPLLXVDG-QGZVFWFLSA-N 1 0 303.381 2.418 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)cn1 ZINC000819096156 647582004 /nfs/dbraw/zinc/58/20/04/647582004.db2.gz XRYNCJGNAQQQFR-GOSISDBHSA-N 1 0 313.376 2.420 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)cn1 ZINC000819096157 647582013 /nfs/dbraw/zinc/58/20/13/647582013.db2.gz XRYNCJGNAQQQFR-SFHVURJKSA-N 1 0 313.376 2.420 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)COC(C)C ZINC000819377547 647647194 /nfs/dbraw/zinc/64/71/94/647647194.db2.gz SSBPMDRJQOVXQB-YJBOKZPZSA-N 1 0 308.466 2.368 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc[nH+]cc1C(N)=O ZINC000840384389 647657445 /nfs/dbraw/zinc/65/74/45/647657445.db2.gz JFGSQZZOKIMKNQ-CYBMUJFWSA-N 1 0 312.417 2.020 20 10 DECDRO COCC(C)(C)[NH+]1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000819893155 647736155 /nfs/dbraw/zinc/73/61/55/647736155.db2.gz FPAGHYWDBTZCAO-UHFFFAOYSA-N 1 0 318.461 2.424 20 10 DECDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820402107 647838231 /nfs/dbraw/zinc/83/82/31/647838231.db2.gz IGDCCWIRWUSGCZ-GFCCVEGCSA-N 1 0 317.393 2.263 20 10 DECDRO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCCC1 ZINC000918120005 648057122 /nfs/dbraw/zinc/05/71/22/648057122.db2.gz QHRASGZFINVFBJ-CQSZACIVSA-N 1 0 305.422 2.408 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000821807544 648112319 /nfs/dbraw/zinc/11/23/19/648112319.db2.gz VOUKUSSBSGSAOI-DOMZBBRYSA-N 1 0 318.417 2.162 20 10 DECDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822616501 648244415 /nfs/dbraw/zinc/24/44/15/648244415.db2.gz HKVHLNSILVZXND-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000920868293 648260181 /nfs/dbraw/zinc/26/01/81/648260181.db2.gz NMCHWMMCUXLHLK-AWEZNQCLSA-N 1 0 312.417 2.472 20 10 DECDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC000823117356 648356452 /nfs/dbraw/zinc/35/64/52/648356452.db2.gz RUXYFMVNDOWFFH-INIZCTEOSA-N 1 0 315.377 2.017 20 10 DECDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000823408963 648414204 /nfs/dbraw/zinc/41/42/04/648414204.db2.gz DEWYGMMOMIUZCS-LBPRGKRZSA-N 1 0 317.393 2.405 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CC12COC2 ZINC000824490116 648595962 /nfs/dbraw/zinc/59/59/62/648595962.db2.gz VTHAFUSGZPEXHL-OAHLLOKOSA-N 1 0 319.401 2.021 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000824582975 648616915 /nfs/dbraw/zinc/61/69/15/648616915.db2.gz GGWZZEDBDBOLIU-IBGZPJMESA-N 1 0 319.493 2.469 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1C ZINC000824655411 648630435 /nfs/dbraw/zinc/63/04/35/648630435.db2.gz WGUHEBZZOKLSJQ-OIISXLGYSA-N 1 0 305.418 2.371 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000824653734 648630768 /nfs/dbraw/zinc/63/07/68/648630768.db2.gz GTHGXKUYBXDCAB-HDMKZQKVSA-N 1 0 322.424 2.254 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)ccc1OC ZINC000824707870 648639465 /nfs/dbraw/zinc/63/94/65/648639465.db2.gz BELLMNPXJXKBEZ-CRAIPNDOSA-N 1 0 323.433 2.373 20 10 DECDRO CN(C)c1ccc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978564 648680738 /nfs/dbraw/zinc/68/07/38/648680738.db2.gz WYGPJUIUZXVWRE-QGZVFWFLSA-N 1 0 322.474 2.153 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000825045079 648691493 /nfs/dbraw/zinc/69/14/93/648691493.db2.gz BLZWPMPCTWRPEC-YOEHRIQHSA-N 1 0 301.390 2.444 20 10 DECDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104022 648703670 /nfs/dbraw/zinc/70/36/70/648703670.db2.gz KPLVGEXOUOPAAL-BXKDBHETSA-N 1 0 300.196 2.418 20 10 DECDRO Fc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000825125405 648707580 /nfs/dbraw/zinc/70/75/80/648707580.db2.gz JTRWWWSZOUTZTA-CRAIPNDOSA-N 1 0 320.408 2.319 20 10 DECDRO COC(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825556343 648779664 /nfs/dbraw/zinc/77/96/64/648779664.db2.gz QFQMRUWHUGBIIT-UHFFFAOYSA-N 1 0 314.179 2.198 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1Cl ZINC000826539629 648874868 /nfs/dbraw/zinc/87/48/68/648874868.db2.gz XBWYIOWDJDDPTI-LBPRGKRZSA-N 1 0 310.781 2.427 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)C(F)(F)F)c1 ZINC000182457313 648914233 /nfs/dbraw/zinc/91/42/33/648914233.db2.gz IYARAFAVFVMDEY-VIFPVBQESA-N 1 0 320.311 2.120 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCc2ccco2)c1 ZINC000182460185 648914357 /nfs/dbraw/zinc/91/43/57/648914357.db2.gz AGHHWSDRQBJREP-OLZOCXBDSA-N 1 0 321.373 2.222 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c1 ZINC000826821701 648931596 /nfs/dbraw/zinc/93/15/96/648931596.db2.gz BIHKIBQYLXGZTH-UHFFFAOYSA-N 1 0 314.385 2.327 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1O ZINC000826821767 648931923 /nfs/dbraw/zinc/93/19/23/648931923.db2.gz CSOMVCPIYHRRET-HZMBPMFUSA-N 1 0 315.797 2.195 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2cnccc2C)cc1OC ZINC000826926968 648948114 /nfs/dbraw/zinc/94/81/14/648948114.db2.gz SSQHZNWOEYONIA-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(Cl)c1 ZINC000827131969 648978604 /nfs/dbraw/zinc/97/86/04/648978604.db2.gz HOJQZVUJZNLUKE-BXUZGUMPSA-N 1 0 308.809 2.455 20 10 DECDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1COCCO1 ZINC000827139810 648980790 /nfs/dbraw/zinc/98/07/90/648980790.db2.gz FNKIYKPZJQNMRH-LBPRGKRZSA-N 1 0 316.195 2.002 20 10 DECDRO COC(=O)C1(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000827468333 649039289 /nfs/dbraw/zinc/03/92/89/649039289.db2.gz QSOQNUZCYAHSTB-UHFFFAOYSA-N 1 0 318.417 2.161 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]1(C)CO ZINC000827700635 649070948 /nfs/dbraw/zinc/07/09/48/649070948.db2.gz WAYVNDVNUBHQDN-KSSFIOAISA-N 1 0 322.424 2.113 20 10 DECDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000184028823 649223779 /nfs/dbraw/zinc/22/37/79/649223779.db2.gz HRMNWHMLDMNTND-HNNXBMFYSA-N 1 0 314.433 2.150 20 10 DECDRO Cc1cc(C[N@@H+](CCO)C[C@H](C)O)ccc1N1CCCCC1 ZINC000829942424 649376374 /nfs/dbraw/zinc/37/63/74/649376374.db2.gz JKQSYHOZOPBZTI-INIZCTEOSA-N 1 0 306.450 2.160 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC000733198971 649451941 /nfs/dbraw/zinc/45/19/41/649451941.db2.gz NOVLUQSCFQGANQ-UHFFFAOYSA-N 1 0 317.477 2.297 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000830580278 649463426 /nfs/dbraw/zinc/46/34/26/649463426.db2.gz QTPAORKFTHOQFR-HYVNUMGLSA-N 1 0 301.434 2.147 20 10 DECDRO CCCCSCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299563 649694150 /nfs/dbraw/zinc/69/41/50/649694150.db2.gz DNZKTOKAPSPLFZ-OAHLLOKOSA-N 1 0 309.479 2.402 20 10 DECDRO CC(C)c1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]n1 ZINC000832299523 649694277 /nfs/dbraw/zinc/69/42/77/649694277.db2.gz CFGGIPLSKOJNRN-AWEZNQCLSA-N 1 0 315.421 2.029 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCCc2nc(C)no2)cc1 ZINC000844401107 651123380 /nfs/dbraw/zinc/12/33/80/651123380.db2.gz KIJPEYXALGNSDI-UHFFFAOYSA-N 1 0 318.421 2.387 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CC(F)(F)F)cc1 ZINC000844400484 651123445 /nfs/dbraw/zinc/12/34/45/651123445.db2.gz COUZSCWXGSSJRY-CYBMUJFWSA-N 1 0 320.355 2.377 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCCn2ccnc2)cc1 ZINC000844402113 651123486 /nfs/dbraw/zinc/12/34/86/651123486.db2.gz VEWVABOLKUQSFM-UHFFFAOYSA-N 1 0 302.422 2.350 20 10 DECDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844965365 651188491 /nfs/dbraw/zinc/18/84/91/651188491.db2.gz QRJFPLJKMPMTTJ-LLVKDONJSA-N 1 0 311.813 2.187 20 10 DECDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000121567704 651242293 /nfs/dbraw/zinc/24/22/93/651242293.db2.gz BWVAHKVHXOHDTK-KRWDZBQOSA-N 1 0 318.465 2.234 20 10 DECDRO CN(C)C(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)[nH]1 ZINC000846058474 651304903 /nfs/dbraw/zinc/30/49/03/651304903.db2.gz POHNYWSQINHSGI-UHFFFAOYSA-N 1 0 307.781 2.365 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000846074141 651306662 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COc1cccc(O)c1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000850397604 651920571 /nfs/dbraw/zinc/92/05/71/651920571.db2.gz YVWAZARBHAYUSX-GFCCVEGCSA-N 1 0 306.406 2.137 20 10 DECDRO NC(=O)CC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000850412127 651923074 /nfs/dbraw/zinc/92/30/74/651923074.db2.gz AQASODSTUWZBMT-UHFFFAOYSA-N 1 0 320.389 2.036 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488762 651937887 /nfs/dbraw/zinc/93/78/87/651937887.db2.gz OLOBSNHSTGXOKM-OLZOCXBDSA-N 1 0 314.389 2.120 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cnn(C)c3)C2)cc1 ZINC000850489392 651939053 /nfs/dbraw/zinc/93/90/53/651939053.db2.gz SUOBTOBZMIVTBH-UKRRQHHQSA-N 1 0 300.406 2.358 20 10 DECDRO O=[S@@](CC[NH2+][C@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000850495202 651939505 /nfs/dbraw/zinc/93/95/05/651939505.db2.gz YGNKMQARPRPSIR-FVINQWEUSA-N 1 0 307.337 2.280 20 10 DECDRO C[C@@H]([NH2+]CCOC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000850521466 651945056 /nfs/dbraw/zinc/94/50/56/651945056.db2.gz IZZVSSXTCGFKOO-GFCCVEGCSA-N 1 0 300.349 2.413 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000850558342 651952480 /nfs/dbraw/zinc/95/24/80/651952480.db2.gz QIVCTVBTAJZABK-LLVKDONJSA-N 1 0 313.419 2.019 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000850565124 651953444 /nfs/dbraw/zinc/95/34/44/651953444.db2.gz AQMRAQSUERDZFQ-GOSISDBHSA-N 1 0 306.450 2.408 20 10 DECDRO CN(C)c1ccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1F ZINC000857003393 652025652 /nfs/dbraw/zinc/02/56/52/652025652.db2.gz XUPWXRYOZJVFFI-CYBMUJFWSA-N 1 0 307.413 2.288 20 10 DECDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000857060686 652043060 /nfs/dbraw/zinc/04/30/60/652043060.db2.gz DRHSQKZVWQZXHD-QGZVFWFLSA-N 1 0 301.390 2.071 20 10 DECDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC000857226745 652083504 /nfs/dbraw/zinc/08/35/04/652083504.db2.gz YMMNPZPCQAAWCU-RISCZKNCSA-N 1 0 311.223 2.468 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000115855710 652254143 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Cc1ccc(O)c(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000858353605 652315146 /nfs/dbraw/zinc/31/51/46/652315146.db2.gz MGPQCIADRYPWJH-CYBMUJFWSA-N 1 0 303.406 2.150 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCO[C@H]2CC2(F)F)cc1 ZINC000852210819 652364315 /nfs/dbraw/zinc/36/43/15/652364315.db2.gz BDASCNQMGPGYLZ-HNNXBMFYSA-N 1 0 314.376 2.487 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000852628368 652429816 /nfs/dbraw/zinc/42/98/16/652429816.db2.gz FMKQKMFNSXNSJU-ZDUSSCGKSA-N 1 0 311.813 2.329 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000852885806 652475200 /nfs/dbraw/zinc/47/52/00/652475200.db2.gz URNLNWMQKUZPFP-NSHDSACASA-N 1 0 304.390 2.240 20 10 DECDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000852920121 652479999 /nfs/dbraw/zinc/47/99/99/652479999.db2.gz LHPMIOMQKPNZKL-LBPRGKRZSA-N 1 0 315.417 2.440 20 10 DECDRO CCC(O)(CC)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122101 652506529 /nfs/dbraw/zinc/50/65/29/652506529.db2.gz MXGYWUXMTDQLGD-UHFFFAOYSA-N 1 0 306.450 2.288 20 10 DECDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1F ZINC000853247892 652529739 /nfs/dbraw/zinc/52/97/39/652529739.db2.gz FIZDRXJDMLMMTL-GHMZBOCLSA-N 1 0 303.175 2.026 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000853603225 652577072 /nfs/dbraw/zinc/57/70/72/652577072.db2.gz OAORKUYGKGDOQS-AWEZNQCLSA-N 1 0 320.433 2.446 20 10 DECDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000853736908 652596057 /nfs/dbraw/zinc/59/60/57/652596057.db2.gz SSVMNACZEVYXPT-CYBMUJFWSA-N 1 0 321.421 2.073 20 10 DECDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000389435154 685434379 /nfs/dbraw/zinc/43/43/79/685434379.db2.gz WNTRDLILPQWLBN-UHFFFAOYSA-N 1 0 303.450 2.097 20 10 DECDRO OCCn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000391863006 685447103 /nfs/dbraw/zinc/44/71/03/685447103.db2.gz UBNOWCGQJLKAEG-LSDHHAIUSA-N 1 0 313.401 2.236 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1 ZINC000858592343 685564599 /nfs/dbraw/zinc/56/45/99/685564599.db2.gz ZHXIOPWLIXOVBK-RJIBLYRGSA-N 1 0 319.361 2.273 20 10 DECDRO COc1cccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1O ZINC000085424807 684009172 /nfs/dbraw/zinc/00/91/72/684009172.db2.gz MONMDUJBEBXZSG-GFCCVEGCSA-N 1 0 323.437 2.176 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000129487628 684179937 /nfs/dbraw/zinc/17/99/37/684179937.db2.gz UZKIVOOFQKRCFD-QGZVFWFLSA-N 1 0 308.397 2.009 20 10 DECDRO CN(C)c1ccc(CN(C)CN2C[C@H](C3CC3)CC2=O)cc1 ZINC000134740878 684229851 /nfs/dbraw/zinc/22/98/51/684229851.db2.gz YZMPYGDECCATBB-MRXNPFEDSA-N 1 0 301.434 2.400 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C1(O)CCC1 ZINC000929185711 693913065 /nfs/dbraw/zinc/91/30/65/693913065.db2.gz SIWHTAOBIHSLEQ-GOSISDBHSA-N 1 0 318.461 2.385 20 10 DECDRO CCCCNC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000244321180 685108603 /nfs/dbraw/zinc/10/86/03/685108603.db2.gz XIMFXXBDIYXQTM-UHFFFAOYSA-N 1 0 319.449 2.124 20 10 DECDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000289978186 685223626 /nfs/dbraw/zinc/22/36/26/685223626.db2.gz XSZKBIJHPYQZSH-ZDUSSCGKSA-N 1 0 318.396 2.247 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000861562441 686145602 /nfs/dbraw/zinc/14/56/02/686145602.db2.gz XRBLSZQCDLTKIB-GOEBONIOSA-N 1 0 318.465 2.473 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)c2c1 ZINC000863338259 686480448 /nfs/dbraw/zinc/48/04/48/686480448.db2.gz PPXJUFOLMGNOIQ-IUODEOHRSA-N 1 0 313.353 2.159 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000863937658 686596518 /nfs/dbraw/zinc/59/65/18/686596518.db2.gz UYRQCHMIIKDAKJ-QGZVFWFLSA-N 1 0 320.433 2.110 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1O ZINC000865780516 687332246 /nfs/dbraw/zinc/33/22/46/687332246.db2.gz LXJLJMMHLJQEHW-AWEZNQCLSA-N 1 0 307.390 2.076 20 10 DECDRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1O ZINC000868008649 687874222 /nfs/dbraw/zinc/87/42/22/687874222.db2.gz IMBLXYDIMPOKFL-GFCCVEGCSA-N 1 0 303.406 2.379 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868364655 687992090 /nfs/dbraw/zinc/99/20/90/687992090.db2.gz ARPFTBMVKLFXKW-ZIAGYGMSSA-N 1 0 305.422 2.484 20 10 DECDRO CN(C)c1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1F ZINC000870876098 688674943 /nfs/dbraw/zinc/67/49/43/688674943.db2.gz YNFWHTJMSLXIDV-UHFFFAOYSA-N 1 0 305.397 2.040 20 10 DECDRO CC[C@H](C)C[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464393 688924575 /nfs/dbraw/zinc/92/45/75/688924575.db2.gz QHEFHZDXQSNBNP-NSHDSACASA-N 1 0 317.393 2.309 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872292158 688975218 /nfs/dbraw/zinc/97/52/18/688975218.db2.gz ZQLDCLDJMZJMOZ-VKJFTORMSA-N 1 0 301.434 2.229 20 10 DECDRO COc1ccc(CN[C@@H](C)CC[NH+](C)C)cc1Cn1cccn1 ZINC000873030049 689144409 /nfs/dbraw/zinc/14/44/09/689144409.db2.gz ZVROCCOBASZFOQ-HNNXBMFYSA-N 1 0 316.449 2.370 20 10 DECDRO COc1ccc(C[NH2+]CCC2CC(O)C2)cc1Cn1cccn1 ZINC000873114725 689160514 /nfs/dbraw/zinc/16/05/14/689160514.db2.gz RPPHIDXFYGCSFX-UHFFFAOYSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1Cn1cccn1 ZINC000873133674 689166585 /nfs/dbraw/zinc/16/65/85/689166585.db2.gz GEGBIWGIBHYCLP-QGZVFWFLSA-N 1 0 315.417 2.191 20 10 DECDRO COCCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]CC1 ZINC000873224618 689187971 /nfs/dbraw/zinc/18/79/71/689187971.db2.gz ILTPYRJWHOVTHA-UHFFFAOYSA-N 1 0 316.804 2.433 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1F ZINC000873226785 689188107 /nfs/dbraw/zinc/18/81/07/689188107.db2.gz BKVRVJLWFBZHAT-NEPJUHHUSA-N 1 0 319.346 2.461 20 10 DECDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874301373 689386474 /nfs/dbraw/zinc/38/64/74/689386474.db2.gz JFQKNDLPWYBFDG-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875142288 689578300 /nfs/dbraw/zinc/57/83/00/689578300.db2.gz ISHNPRWOIUCBQR-CYBMUJFWSA-N 1 0 303.406 2.149 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000876583688 689865882 /nfs/dbraw/zinc/86/58/82/689865882.db2.gz NPSRWFWLIDBGHE-OAHLLOKOSA-N 1 0 302.418 2.439 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000876633275 689882768 /nfs/dbraw/zinc/88/27/68/689882768.db2.gz PWDPFCKPRLSEIE-UHFFFAOYSA-N 1 0 303.431 2.475 20 10 DECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876632139 689883214 /nfs/dbraw/zinc/88/32/14/689883214.db2.gz HOEHKWYUXSETPH-ZBFHGGJFSA-N 1 0 320.433 2.064 20 10 DECDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876739705 689923011 /nfs/dbraw/zinc/92/30/11/689923011.db2.gz PXCANSDVNPNLEL-CABCVRRESA-N 1 0 304.434 2.257 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(O)CCCC1 ZINC000876747643 689925356 /nfs/dbraw/zinc/92/53/56/689925356.db2.gz IURLGMXRZGTWKX-UHFFFAOYSA-N 1 0 318.461 2.385 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC000876763279 689929170 /nfs/dbraw/zinc/92/91/70/689929170.db2.gz JROQLXBPGPVDMM-SJORKVTESA-N 1 0 305.418 2.453 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876875744 689961038 /nfs/dbraw/zinc/96/10/38/689961038.db2.gz YYYHBEKRUIMLLK-DOTOQJQBSA-N 1 0 321.440 2.437 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000876966314 689984882 /nfs/dbraw/zinc/98/48/82/689984882.db2.gz POATWUBYAMLPOJ-AWEZNQCLSA-N 1 0 305.349 2.369 20 10 DECDRO CCCCN(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877026754 690001126 /nfs/dbraw/zinc/00/11/26/690001126.db2.gz GPPUGVYLBPPERZ-UHFFFAOYSA-N 1 0 319.493 2.469 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000877031092 690001730 /nfs/dbraw/zinc/00/17/30/690001730.db2.gz MCVBDXQOYITSCY-ROUUACIJSA-N 1 0 304.434 2.041 20 10 DECDRO CN(Cc1ccc(=O)[nH]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000877341919 690081581 /nfs/dbraw/zinc/08/15/81/690081581.db2.gz HBZSNTXGRVSFDA-UHFFFAOYSA-N 1 0 301.390 2.364 20 10 DECDRO Cc1nnsc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000877341916 690081584 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CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877607494 690165550 /nfs/dbraw/zinc/16/55/50/690165550.db2.gz GPYMNANJXMZWPP-AWEZNQCLSA-N 1 0 316.323 2.201 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665643 690183385 /nfs/dbraw/zinc/18/33/85/690183385.db2.gz CWSVKMJJNAKJDO-SJLPKXTDSA-N 1 0 315.369 2.025 20 10 DECDRO CCc1cccc(C[NH+]2CCC(CCO)(CCO)CC2)c1O ZINC000877692131 690192825 /nfs/dbraw/zinc/19/28/25/690192825.db2.gz TUWVUXPKSKXKKR-UHFFFAOYSA-N 1 0 307.434 2.302 20 10 DECDRO C[C@@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1O ZINC000877757640 690217778 /nfs/dbraw/zinc/21/77/78/690217778.db2.gz PEITXBHWDUKXJC-TZMCWYRMSA-N 1 0 302.378 2.014 20 10 DECDRO COc1cccc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000877774575 690222477 /nfs/dbraw/zinc/22/24/77/690222477.db2.gz NFCJIBQJYXTQKN-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000878358293 690387329 /nfs/dbraw/zinc/38/73/29/690387329.db2.gz NYEFJOQMJJHXOM-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1=O ZINC000931324613 694368899 /nfs/dbraw/zinc/36/88/99/694368899.db2.gz GDDHMGMOHRMWNG-UHFFFAOYSA-N 1 0 315.417 2.390 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1N1CCCCC1 ZINC000878981814 690542134 /nfs/dbraw/zinc/54/21/34/690542134.db2.gz QBZKWFGGYBFJRG-PKOBYXMFSA-N 1 0 318.461 2.303 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880523502 690917720 /nfs/dbraw/zinc/91/77/20/690917720.db2.gz IIFHTQXQQAOUAK-DOTOQJQBSA-N 1 0 301.434 2.243 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000881848953 691173461 /nfs/dbraw/zinc/17/34/61/691173461.db2.gz GSTMOCRMDHIKFJ-QGZVFWFLSA-N 1 0 313.445 2.411 20 10 DECDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881851050 691173992 /nfs/dbraw/zinc/17/39/92/691173992.db2.gz NUPCKUZUQHAQIO-AWEZNQCLSA-N 1 0 301.434 2.101 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncnc4c3CCC4)cc2)CC1 ZINC000882880278 691377560 /nfs/dbraw/zinc/37/75/60/691377560.db2.gz LAZLGKWQKMXQQE-UHFFFAOYSA-N 1 0 323.444 2.329 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883275860 691470383 /nfs/dbraw/zinc/47/03/83/691470383.db2.gz BQPMIHNJDSZQSF-OCCSQVGLSA-N 1 0 305.374 2.496 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000883308256 691479304 /nfs/dbraw/zinc/47/93/04/691479304.db2.gz LJOUZHIYNNJTNE-YPMHNXCESA-N 1 0 313.419 2.019 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000883380667 691494552 /nfs/dbraw/zinc/49/45/52/691494552.db2.gz WPDXHAXRLIKLKK-MGCOHNPYSA-N 1 0 303.811 2.019 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394960 691496371 /nfs/dbraw/zinc/49/63/71/691496371.db2.gz KLSIBTHPAAZNTB-YPMHNXCESA-N 1 0 304.390 2.062 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c(Cl)c1 ZINC000883402291 691498769 /nfs/dbraw/zinc/49/87/69/691498769.db2.gz MWZVQXOEXNJITP-LBPRGKRZSA-N 1 0 308.809 2.455 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C)CC3)cc2)CC1 ZINC000883492110 691523939 /nfs/dbraw/zinc/52/39/39/691523939.db2.gz DZXDDJACBIYFKP-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000883895339 691612130 /nfs/dbraw/zinc/61/21/30/691612130.db2.gz VYULEYJXDKZZAY-AWEZNQCLSA-N 1 0 317.433 2.164 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@](C)(O)C(F)F)cc1 ZINC000886267008 692039382 /nfs/dbraw/zinc/03/93/82/692039382.db2.gz CZYZWNKMYGQDBT-HNNXBMFYSA-N 1 0 302.365 2.079 20 10 DECDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1c([O-])cccc1F ZINC000886526354 692102125 /nfs/dbraw/zinc/10/21/25/692102125.db2.gz KWJBEPPWICBFST-ZIAGYGMSSA-N 1 0 310.413 2.419 20 10 DECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886595061 692123479 /nfs/dbraw/zinc/12/34/79/692123479.db2.gz ZVXWCICMPBUSMH-KGLIPLIRSA-N 1 0 309.429 2.208 20 10 DECDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000886595082 692123664 /nfs/dbraw/zinc/12/36/64/692123664.db2.gz AJUHGCAMSYPJRP-ZKKXHLJNSA-N 1 0 318.417 2.300 20 10 DECDRO CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862456 692319738 /nfs/dbraw/zinc/31/97/38/692319738.db2.gz KIJNCMVGJIEGEG-INIZCTEOSA-N 1 0 317.393 2.453 20 10 DECDRO C[N@H+]1CC=C(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897310316 693018461 /nfs/dbraw/zinc/01/84/61/693018461.db2.gz POGCMKSMNZCTSA-UHFFFAOYSA-N 1 0 318.398 2.304 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)CO ZINC000924717575 693176393 /nfs/dbraw/zinc/17/63/93/693176393.db2.gz VTVWPSDJPBWFFK-ZDUSSCGKSA-N 1 0 310.413 2.159 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784809 693341460 /nfs/dbraw/zinc/34/14/60/693341460.db2.gz SKYCPMBMXVUNQZ-NXEZZACHSA-N 1 0 315.320 2.196 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC001331897563 1149757602 /nfs/dbraw/zinc/75/76/02/1149757602.db2.gz JWAWXFWFSWEGKR-MRXNPFEDSA-N 1 0 313.445 2.411 20 10 DECDRO C[C@@H]([NH2+]Cc1[nH]nc2c1COCC2)c1ccc(N(C)C)cc1 ZINC001332920369 1149924829 /nfs/dbraw/zinc/92/48/29/1149924829.db2.gz BMFINZVMWQEJMV-GFCCVEGCSA-N 1 0 300.406 2.399 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001333680713 1150078425 /nfs/dbraw/zinc/07/84/25/1150078425.db2.gz ASBNNYZUXNWCRT-CHWSQXEVSA-N 1 0 323.824 2.472 20 10 DECDRO Nc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001335284964 1150393246 /nfs/dbraw/zinc/39/32/46/1150393246.db2.gz JSHNOCAQIMWNSG-UHFFFAOYSA-N 1 0 312.373 2.499 20 10 DECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N)cc1 ZINC001335451676 1150420078 /nfs/dbraw/zinc/42/00/78/1150420078.db2.gz MHWZPAFURIUHOJ-MRXNPFEDSA-N 1 0 304.438 2.333 20 10 DECDRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC001346479768 1150994286 /nfs/dbraw/zinc/99/42/86/1150994286.db2.gz VRHDCFJCSXLVAG-UHFFFAOYSA-N 1 0 306.454 2.041 20 10 DECDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C)OC)C2CC2)cc1C ZINC001480006622 1151369066 /nfs/dbraw/zinc/36/90/66/1151369066.db2.gz ONFRHLWLAZPRSE-CZUORRHYSA-N 1 0 320.433 2.023 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001332662835 1149877608 /nfs/dbraw/zinc/87/76/08/1149877608.db2.gz YESBMCWKVZXGIJ-CQSZACIVSA-N 1 0 303.406 2.292 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1O ZINC001140185552 776884376 /nfs/dbraw/zinc/88/43/76/776884376.db2.gz YJPJTRNDZGFZED-UHFFFAOYSA-N 1 0 305.422 2.245 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CC(N3CCC(F)(F)CC3)C2)c1O ZINC001140747434 777740861 /nfs/dbraw/zinc/74/08/61/777740861.db2.gz CSYAGPIZBCDBOX-UHFFFAOYSA-N 1 0 312.360 2.322 20 10 DECDRO C[NH+]1CCC(CC(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001143354209 790617149 /nfs/dbraw/zinc/61/71/49/790617149.db2.gz ZKDDSUQODHQSRG-UHFFFAOYSA-N 1 0 318.417 2.105 20 10 DECDRO C[NH+](C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001143966214 790699441 /nfs/dbraw/zinc/69/94/41/790699441.db2.gz XLPYSRVGVQZQAP-UHFFFAOYSA-N 1 0 320.433 2.363 20 10 DECDRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CO1 ZINC001169418490 785179386 /nfs/dbraw/zinc/17/93/86/785179386.db2.gz NSZNYQJBUBDSGC-IAGOWNOFSA-N 1 0 320.433 2.295 20 10 DECDRO CC1(C)CC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC(C)(C)N1O ZINC001169966209 785440358 /nfs/dbraw/zinc/44/03/58/785440358.db2.gz QSHQEBAXJXVZSN-OAHLLOKOSA-N 1 0 324.421 2.132 20 10 DECDRO CC(C)CC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001333807874 1150093708 /nfs/dbraw/zinc/09/37/08/1150093708.db2.gz ZSNZDUMOQPOCNA-UHFFFAOYSA-N 1 0 310.463 2.057 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CCO[C@H]2C)cc1C ZINC001131693824 787691946 /nfs/dbraw/zinc/69/19/46/787691946.db2.gz SWTJGYCRXDVSNL-KSSFIOAISA-N 1 0 320.433 2.025 20 10 DECDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1C ZINC001072103200 790053383 /nfs/dbraw/zinc/05/33/83/790053383.db2.gz VIBFMKUMSCGWOQ-RISCZKNCSA-N 1 0 317.393 2.452 20 10 DECDRO Oc1ccccc1CN1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235979 793380556 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CCO[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CN(C)C ZINC001119614494 795329575 /nfs/dbraw/zinc/32/95/75/795329575.db2.gz BRIBZFAFMXMCPO-GOSISDBHSA-N 1 0 305.466 2.343 20 10 DECDRO [NH3+]CC[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC001120609634 795497554 /nfs/dbraw/zinc/49/75/54/795497554.db2.gz GOLWOELOVAUACK-LLVKDONJSA-N 1 0 314.480 2.006 20 10 DECDRO Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)c(O)c1 ZINC001182561458 795707260 /nfs/dbraw/zinc/70/72/60/795707260.db2.gz SXTZSOAMLAJYOQ-INIZCTEOSA-N 1 0 302.418 2.500 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2occc2C)cc1C ZINC001123544346 795930063 /nfs/dbraw/zinc/93/00/63/795930063.db2.gz QNLHYTLKNOKYRF-UHFFFAOYSA-N 1 0 302.374 2.425 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CSC(C)C)cc1C ZINC001123805783 795981453 /nfs/dbraw/zinc/98/14/53/795981453.db2.gz QVZWZQMYKWWAMS-UHFFFAOYSA-N 1 0 310.463 2.351 20 10 DECDRO C[C@@]1(CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC001138215754 796184182 /nfs/dbraw/zinc/18/41/82/796184182.db2.gz SEONFDXHZTUYQB-OALUTQOASA-N 1 0 318.461 2.242 20 10 DECDRO Oc1c(CN2CCC23COC3)cc2c3c1CCCN3CCC2 ZINC001138336910 796198475 /nfs/dbraw/zinc/19/84/75/796198475.db2.gz IETMVIWGBAAZEJ-UHFFFAOYSA-N 1 0 300.402 2.066 20 10 DECDRO CN1CCCc2cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)ccc21 ZINC001138354306 796204556 /nfs/dbraw/zinc/20/45/56/796204556.db2.gz DPCHIRQZQKMUSB-MRXNPFEDSA-N 1 0 306.450 2.023 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]1(C)O ZINC001138496472 796227043 /nfs/dbraw/zinc/22/70/43/796227043.db2.gz QRQNJLDUWJQQBU-CRAIPNDOSA-N 1 0 304.434 2.116 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)[C@H]1CCCOC1 ZINC001139129910 796329803 /nfs/dbraw/zinc/32/98/03/796329803.db2.gz KBEZANIDOUFFFW-LBPRGKRZSA-N 1 0 303.358 2.418 20 10 DECDRO CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)O ZINC001139412098 796372948 /nfs/dbraw/zinc/37/29/48/796372948.db2.gz DNEHLZLRKHUYDX-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO CCN1CCO[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486317 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Cc1c(O)ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1O ZINC001140748223 796567240 /nfs/dbraw/zinc/56/72/40/796567240.db2.gz VECLVRWJUCYFRY-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO CCN(CC)c1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(O)c1 ZINC001140855463 796583668 /nfs/dbraw/zinc/58/36/68/796583668.db2.gz ADKGOVKZXXLXDD-KRWDZBQOSA-N 1 0 321.465 2.001 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)c(O)c1 ZINC001140856948 796584287 /nfs/dbraw/zinc/58/42/87/796584287.db2.gz JKSITQNZJGXUIU-AWEZNQCLSA-N 1 0 319.449 2.291 20 10 DECDRO Cc1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001140949968 796605045 /nfs/dbraw/zinc/60/50/45/796605045.db2.gz OVUJLEJPRJBQIK-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158731 796642304 /nfs/dbraw/zinc/64/23/04/796642304.db2.gz LNMGMMZFILTPRE-GOSISDBHSA-N 1 0 318.417 2.321 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001141156692 796642530 /nfs/dbraw/zinc/64/25/30/796642530.db2.gz 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CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)cc1 ZINC001203937198 800148912 /nfs/dbraw/zinc/14/89/12/800148912.db2.gz RHEAOLIOOVCLEN-NVXWUHKLSA-N 1 0 301.434 2.195 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1O ZINC000933739177 800175486 /nfs/dbraw/zinc/17/54/86/800175486.db2.gz DNFULOOSEPYFFT-DYVFJYSZSA-N 1 0 306.381 2.117 20 10 DECDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1O)N1CCCC1 ZINC001204274423 800198168 /nfs/dbraw/zinc/19/81/68/800198168.db2.gz ANTIFNXFOHVXQN-HNNXBMFYSA-N 1 0 304.390 2.075 20 10 DECDRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327288 800205374 /nfs/dbraw/zinc/20/53/74/800205374.db2.gz PJJGXPHNKLZQAM-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)cc(O)c1O ZINC001204346392 800207111 /nfs/dbraw/zinc/20/71/11/800207111.db2.gz NTESCJNMWJAFJU-GFCCVEGCSA-N 1 0 311.353 2.199 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)COC1CC[NH+](C)CC1 ZINC000934706370 800430293 /nfs/dbraw/zinc/43/02/93/800430293.db2.gz KMQDLUFFZDPLOJ-UHFFFAOYSA-N 1 0 320.433 2.242 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206188860 800486568 /nfs/dbraw/zinc/48/65/68/800486568.db2.gz WBJJXNVWSPGEMN-RYUDHWBXSA-N 1 0 302.777 2.315 20 10 DECDRO COC(=O)c1c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c2ccccc2n1C ZINC001209873988 801299364 /nfs/dbraw/zinc/29/93/64/801299364.db2.gz ILXBPKYAZNZCGE-BETUJISGSA-N 1 0 315.417 2.147 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)ccc2ccccc21 ZINC001231590445 801690930 /nfs/dbraw/zinc/69/09/30/801690930.db2.gz AYCOVQPOMAMKTD-OAHLLOKOSA-N 1 0 300.402 2.308 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231636351 801700574 /nfs/dbraw/zinc/70/05/74/801700574.db2.gz SWNRRWYGVVYVTA-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231638871 801701634 /nfs/dbraw/zinc/70/16/34/801701634.db2.gz HVYNVWKEUNEUJG-KRWDZBQOSA-N 1 0 323.389 2.272 20 10 DECDRO COc1ncnc2c1CC[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231845168 801735225 /nfs/dbraw/zinc/73/52/25/801735225.db2.gz WSORLXFTJPUDIR-UHFFFAOYSA-N 1 0 313.401 2.408 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001231851936 801737503 /nfs/dbraw/zinc/73/75/03/801737503.db2.gz JPBXVHJGZRGUFC-KRWDZBQOSA-N 1 0 303.450 2.431 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(O)c1 ZINC001231850148 801737635 /nfs/dbraw/zinc/73/76/35/801737635.db2.gz KXAUNEPHSZXSFH-UHFFFAOYSA-N 1 0 305.422 2.245 20 10 DECDRO COc1cc(N(C)C)ccc1CN1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001231858787 801738170 /nfs/dbraw/zinc/73/81/70/801738170.db2.gz ZHZPULBSIDIWAH-YOEHRIQHSA-N 1 0 303.450 2.287 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231871782 801742321 /nfs/dbraw/zinc/74/23/21/801742321.db2.gz QQRDMHLASGOSGA-LBPRGKRZSA-N 1 0 313.781 2.118 20 10 DECDRO C[NH+](C)C1(C)CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200595 801814970 /nfs/dbraw/zinc/81/49/70/801814970.db2.gz VGRLUKMMWDNPCW-UHFFFAOYSA-N 1 0 323.868 2.313 20 10 DECDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232271536 801835889 /nfs/dbraw/zinc/83/58/89/801835889.db2.gz WFVGDFTVSLUYMB-SNVBAGLBSA-N 1 0 313.781 2.439 20 10 DECDRO COc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000184715497 801960964 /nfs/dbraw/zinc/96/09/64/801960964.db2.gz QGMVDNZZYIITLG-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC001232835196 801967553 /nfs/dbraw/zinc/96/75/53/801967553.db2.gz ZGJLDQFITFJPQY-UHFFFAOYSA-N 1 0 318.339 2.347 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)[C@H]1C ZINC001232840320 801969999 /nfs/dbraw/zinc/96/99/99/801969999.db2.gz SQNHCDUGGNDRCC-SWLSCSKDSA-N 1 0 306.406 2.232 20 10 DECDRO COCC[N@H+](C)Cc1cc(Br)c(OC)cc1O ZINC001233135175 802034127 /nfs/dbraw/zinc/03/41/27/802034127.db2.gz NMIOQKXUMSMLRB-UHFFFAOYSA-N 1 0 304.184 2.242 20 10 DECDRO Oc1ccc2cc(Br)ccc2c1C[NH+]1CC(O)C1 ZINC001233193726 802045451 /nfs/dbraw/zinc/04/54/51/802045451.db2.gz DOWZDRZFVFUAHG-UHFFFAOYSA-N 1 0 308.175 2.484 20 10 DECDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Cl)cc(OC)c3O)C[C@H]2C1 ZINC001233291403 802065947 /nfs/dbraw/zinc/06/59/47/802065947.db2.gz ZRLXQPLCQYPJJC-CHWSQXEVSA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233335575 802079435 /nfs/dbraw/zinc/07/94/35/802079435.db2.gz BXKVYHRBEJYEBL-AXFHLTTASA-N 1 0 311.328 2.444 20 10 DECDRO O=C1NCC[C@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233452143 802120488 /nfs/dbraw/zinc/12/04/88/802120488.db2.gz LZOUYHWTWGLTPJ-CQSZACIVSA-N 1 0 314.307 2.123 20 10 DECDRO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486980 802127686 /nfs/dbraw/zinc/12/76/86/802127686.db2.gz KHYKEGXEUYYZRO-NSHDSACASA-N 1 0 323.389 2.357 20 10 DECDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1C ZINC001233487764 802128735 /nfs/dbraw/zinc/12/87/35/802128735.db2.gz RFGFAGHUSGPQTP-NEPJUHHUSA-N 1 0 323.389 2.215 20 10 DECDRO OC[C@H]1C[C@@H](F)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727978 802190514 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OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001331251007 1149403082 /nfs/dbraw/zinc/40/30/82/1149403082.db2.gz ALEDMBXJZJLLMC-WMZOPIPTSA-N 1 0 304.434 2.306 20 10 DECDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cn1 ZINC001335290106 1150393774 /nfs/dbraw/zinc/39/37/74/1150393774.db2.gz SDCPGPSQLWSJSJ-IAGOWNOFSA-N 1 0 300.406 2.090 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)O1 ZINC001335507283 1150437852 /nfs/dbraw/zinc/43/78/52/1150437852.db2.gz OTKCGBWHFAKKIB-CKEIUWERSA-N 1 0 321.440 2.233 20 10 DECDRO C[C@H]1CN(Cc2ccc(Cl)cc2O)CC[N@@H+]1CC(C)(C)O ZINC001462095936 1058761673 /nfs/dbraw/zinc/76/16/73/1058761673.db2.gz PEBMFVDAHNZPOK-LBPRGKRZSA-N 1 0 312.841 2.323 20 10 DECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(C)cc(OC)cc2O)C1 ZINC001462423547 1058823665 /nfs/dbraw/zinc/82/36/65/1058823665.db2.gz FARKVFSVNIIRDV-ZDUSSCGKSA-N 1 0 305.374 2.451 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@H]2CN(C)CCN2C)c1 ZINC001462598852 1058858394 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Cc1cc(C(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)c(C)n1-c1ccccn1 ZINC001514662891 1068751529 /nfs/dbraw/zinc/75/15/29/1068751529.db2.gz IZPQEIGZXTWBER-HOTGVXAUSA-N 1 0 324.428 2.489 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC001573552037 1069037515 /nfs/dbraw/zinc/03/75/15/1069037515.db2.gz WWGDCFIZPBCNQT-ZDUSSCGKSA-N 1 0 320.433 2.444 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)N1CCCC1 ZINC000378915627 1079279471 /nfs/dbraw/zinc/27/94/71/1079279471.db2.gz LYITZBARFYUVPB-HNNXBMFYSA-N 1 0 301.434 2.387 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)CC[NH+](C)C)cc1 ZINC001557355633 1075063260 /nfs/dbraw/zinc/06/32/60/1075063260.db2.gz HJPMKVSSQIFZFB-HNNXBMFYSA-N 1 0 321.465 2.178 20 10 DECDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001560341150 1075138036 /nfs/dbraw/zinc/13/80/36/1075138036.db2.gz YFROLPJNLHEDIL-GOSISDBHSA-N 1 0 306.450 2.144 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CC(C)(C)CCO)cc2F)CC1 ZINC001560357567 1075138334 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CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655717246 1080013926 /nfs/dbraw/zinc/01/39/26/1080013926.db2.gz BLYIKGBRCOQJAI-QGZVFWFLSA-N 1 0 323.456 2.074 20 10 DECDRO O=c1cc(C[NH2+]Cc2c(O)cccc2Cl)nc2ccccn12 ZINC001657608675 1080179867 /nfs/dbraw/zinc/17/98/67/1080179867.db2.gz OTWYQZUITYUDQW-UHFFFAOYSA-N 1 0 315.760 2.343 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(O)c1 ZINC001658228239 1080202540 /nfs/dbraw/zinc/20/25/40/1080202540.db2.gz YTBODBWANRWLEJ-CYBMUJFWSA-N 1 0 307.390 2.294 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001658502611 1080209390 /nfs/dbraw/zinc/20/93/90/1080209390.db2.gz IAAQMRBBBUSTJC-GJZGRUSLSA-N 1 0 310.825 2.077 20 10 DECDRO CN1c2ccccc2C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC001658546792 1080211354 /nfs/dbraw/zinc/21/13/54/1080211354.db2.gz XNRMMNFOUVHWIF-CQSZACIVSA-N 1 0 300.333 2.209 20 10 DECDRO COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(Cl)cc1O ZINC001658644577 1080212986 /nfs/dbraw/zinc/21/29/86/1080212986.db2.gz AIVNRYMAENYVOO-OAHLLOKOSA-N 1 0 313.781 2.200 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)CSC)cc1C ZINC001124855900 1080505500 /nfs/dbraw/zinc/50/55/00/1080505500.db2.gz NSIIXHFQHGLHDD-CYBMUJFWSA-N 1 0 310.463 2.209 20 10 DECDRO COCCOC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001663954140 1080841680 /nfs/dbraw/zinc/84/16/80/1080841680.db2.gz ZCKDZDJRACJWCF-UHFFFAOYSA-N 1 0 309.406 2.337 20 10 DECDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC001664979460 1080980387 /nfs/dbraw/zinc/98/03/87/1080980387.db2.gz WQHOJTGWKMHEEP-UKRRQHHQSA-N 1 0 305.353 2.275 20 10 DECDRO CC[C@@H](CNC(=O)[C@@H]1CCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665765918 1081079460 /nfs/dbraw/zinc/07/94/60/1081079460.db2.gz QJEKIVFYRAHVKA-CVEARBPZSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC23CC3)cc1C ZINC001483268780 1083067284 /nfs/dbraw/zinc/06/72/84/1083067284.db2.gz OPTYBEWBKAKDCY-ZFWWWQNUSA-N 1 0 302.418 2.398 20 10 DECDRO Oc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc1O ZINC001276516725 1083477597 /nfs/dbraw/zinc/47/75/97/1083477597.db2.gz NZYAROLKEAHPNM-GASCZTMLSA-N 1 0 318.417 2.395 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)cc1 ZINC001276960262 1083700944 /nfs/dbraw/zinc/70/09/44/1083700944.db2.gz BCUURCQSHBTNIJ-QGZVFWFLSA-N 1 0 315.461 2.443 20 10 DECDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1F ZINC001277009149 1083730843 /nfs/dbraw/zinc/73/08/43/1083730843.db2.gz GHMYVEMGONBKGO-GASCZTMLSA-N 1 0 307.413 2.049 20 10 DECDRO NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001277209384 1083845992 /nfs/dbraw/zinc/84/59/92/1083845992.db2.gz GSEZWKPTDUXRMF-KRWDZBQOSA-N 1 0 313.445 2.374 20 10 DECDRO Oc1c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc2c3c1CCCN3CCC2 ZINC001235042216 1084284080 /nfs/dbraw/zinc/28/40/80/1084284080.db2.gz TWIVOIWXHWHRQA-DLBZAZTESA-N 1 0 313.445 2.027 20 10 DECDRO Cc1cc(CN2CC3(C2)CCC[NH2+]3)c(O)cc1Br ZINC001235204192 1084342819 /nfs/dbraw/zinc/34/28/19/1084342819.db2.gz FPSIDSKUCODQAG-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001143104343 1085696273 /nfs/dbraw/zinc/69/62/73/1085696273.db2.gz SBNDZLRHEMRYNH-CRAIPNDOSA-N 1 0 307.434 2.255 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000701116671 1086352326 /nfs/dbraw/zinc/35/23/26/1086352326.db2.gz HSDFIGQQIQXZIX-SKDRFNHKSA-N 1 0 300.196 2.405 20 10 DECDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706821758 1086651806 /nfs/dbraw/zinc/65/18/06/1086651806.db2.gz PBFDBISAOOXLAL-CABZTGNLSA-N 1 0 300.196 2.405 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)ccc1N(C)C ZINC001273206921 1090081912 /nfs/dbraw/zinc/08/19/12/1090081912.db2.gz SGWANWQFXWWFDH-SFHVURJKSA-N 1 0 301.434 2.258 20 10 DECDRO CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084861938 1090483726 /nfs/dbraw/zinc/48/37/26/1090483726.db2.gz MVKFOVRJJNOITO-TZMCWYRMSA-N 1 0 315.377 2.015 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCN(CC(F)F)C2=O)C1 ZINC001274304325 1091179528 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COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@@H]1C ZINC001236751515 1138408565 /nfs/dbraw/zinc/40/85/65/1138408565.db2.gz GPVNGEWZHYIALH-DGCLKSJQSA-N 1 0 323.389 2.183 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1OC ZINC001236757965 1138412455 /nfs/dbraw/zinc/41/24/55/1138412455.db2.gz URJAYTXRWUOGAJ-KRWDZBQOSA-N 1 0 321.373 2.081 20 10 DECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236767778 1138419455 /nfs/dbraw/zinc/41/94/55/1138419455.db2.gz NGFDQWIOGKVZCP-WPRPVWTQSA-N 1 0 316.195 2.206 20 10 DECDRO C[C@@]1(CO)CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236767624 1138419872 /nfs/dbraw/zinc/41/98/72/1138419872.db2.gz KVQRSSHZUQTMCS-CYBMUJFWSA-N 1 0 316.195 2.065 20 10 DECDRO CC[N@H+](CCOC)Cc1cc(O)c(Br)cc1O ZINC001236771495 1138422811 /nfs/dbraw/zinc/42/28/11/1138422811.db2.gz CESUKRBAFRWVHS-UHFFFAOYSA-N 1 0 304.184 2.329 20 10 DECDRO CN1C[C@@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1=O ZINC001236793377 1138429153 /nfs/dbraw/zinc/42/91/53/1138429153.db2.gz 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ZINC001236981873 1138474974 /nfs/dbraw/zinc/47/49/74/1138474974.db2.gz OWVTXHYAQSREDY-CQSZACIVSA-N 1 0 317.355 2.097 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001237044943 1138487998 /nfs/dbraw/zinc/48/79/98/1138487998.db2.gz VYGWXOLTXJUBAG-ZDUSSCGKSA-N 1 0 312.360 2.316 20 10 DECDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc(N(C)C)c2ccccc12 ZINC001237161062 1138510395 /nfs/dbraw/zinc/51/03/95/1138510395.db2.gz WDBSCVQJZUEBSY-OALUTQOASA-N 1 0 313.445 2.324 20 10 DECDRO COc1cccnc1N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237491041 1138655865 /nfs/dbraw/zinc/65/58/65/1138655865.db2.gz FKVYJCHPNBZMJC-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1cc(C[N@H+](CCO)Cc2cccs2)c(O)c(OC)c1 ZINC001237676135 1138748543 /nfs/dbraw/zinc/74/85/43/1138748543.db2.gz JHGGBERHWQNECS-UHFFFAOYSA-N 1 0 323.414 2.465 20 10 DECDRO CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001278335530 1139849335 /nfs/dbraw/zinc/84/93/35/1139849335.db2.gz NXHAYQCDRQEQPA-ZBFHGGJFSA-N 1 0 320.433 2.119 20 10 DECDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001319833014 1140752275 /nfs/dbraw/zinc/75/22/75/1140752275.db2.gz GYAGQJBRNLRNCQ-JTQLQIEISA-N 1 0 309.362 2.331 20 10 DECDRO O=C(c1ccccc1)c1ccccc1NC[C@@]1(O)CCC[NH2+]C1 ZINC001245961261 1140839155 /nfs/dbraw/zinc/83/91/55/1140839155.db2.gz HVCNBQFLCCLINA-LJQANCHMSA-N 1 0 310.397 2.444 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001321790144 1141344196 /nfs/dbraw/zinc/34/41/96/1141344196.db2.gz UPEDEPMKCZMIKS-ZDUSSCGKSA-N 1 0 317.389 2.208 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322740320 1141704598 /nfs/dbraw/zinc/70/45/98/1141704598.db2.gz JPBOEPJNOKJRAZ-LSDHHAIUSA-N 1 0 305.422 2.406 20 10 DECDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001323397420 1141849408 /nfs/dbraw/zinc/84/94/08/1141849408.db2.gz RKVDQXQJRZAWPG-DLBZAZTESA-N 1 0 317.477 2.174 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cc(C)c(Br)cc1O ZINC001250134131 1142086851 /nfs/dbraw/zinc/08/68/51/1142086851.db2.gz WMAXGXDEVBDNHX-UHFFFAOYSA-N 1 0 316.195 2.458 20 10 DECDRO Fc1cc(CNc2cc[nH+]cc2)cc(F)c1N1CCOCC1 ZINC001337664995 1142784082 /nfs/dbraw/zinc/78/40/82/1142784082.db2.gz NNPZONWXJQWCJE-UHFFFAOYSA-N 1 0 305.328 2.230 20 10 DECDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Cl)ccc1O ZINC001337785366 1142801930 /nfs/dbraw/zinc/80/19/30/1142801930.db2.gz LJTLODZGCLSHHF-LBPRGKRZSA-N 1 0 312.841 2.401 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1Cl ZINC001338287275 1142844566 /nfs/dbraw/zinc/84/45/66/1142844566.db2.gz DDYXEMXBDMWENT-GFCCVEGCSA-N 1 0 317.838 2.411 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391200 1142867967 /nfs/dbraw/zinc/86/79/67/1142867967.db2.gz HINJCEKMOQXECU-GOSISDBHSA-N 1 0 319.493 2.468 20 10 DECDRO CC1(C)C[NH2+]C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001338758889 1142876343 /nfs/dbraw/zinc/87/63/43/1142876343.db2.gz KOZBUOHPDWPLID-MRXNPFEDSA-N 1 0 317.433 2.068 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC001339835046 1143125958 /nfs/dbraw/zinc/12/59/58/1143125958.db2.gz IXFVNHDVAGMGMO-KBPBESRZSA-N 1 0 309.385 2.203 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(C)n1 ZINC001340461132 1143350880 /nfs/dbraw/zinc/35/08/80/1143350880.db2.gz HDGGNCRTEFEPKC-QGZVFWFLSA-N 1 0 312.417 2.194 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3SC=CC3=O)n2C)C[C@H]1C ZINC001341279684 1143576081 /nfs/dbraw/zinc/57/60/81/1143576081.db2.gz GWUUFANRZBFPJU-GHMZBOCLSA-N 1 0 321.450 2.168 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]n1 ZINC001261493535 1144252321 /nfs/dbraw/zinc/25/23/21/1144252321.db2.gz GPWTUCRFBIEXMC-UHFFFAOYSA-N 1 0 320.368 2.081 20 10 DECDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C)OC)C2)cc1C ZINC001264770170 1144608775 /nfs/dbraw/zinc/60/87/75/1144608775.db2.gz NJSAEBWFJMEMKA-IUDNXUCKSA-N 1 0 320.433 2.023 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCO2)cc1C ZINC001491979056 1147029026 /nfs/dbraw/zinc/02/90/26/1147029026.db2.gz GFJVYKZXJVZHFG-RHSMWYFYSA-N 1 0 320.433 2.167 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC001308410553 1147472166 /nfs/dbraw/zinc/47/21/66/1147472166.db2.gz RZHMQWRDGKENCW-MRXNPFEDSA-N 1 0 315.461 2.423 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC001308772357 1147486284 /nfs/dbraw/zinc/48/62/84/1147486284.db2.gz UGZFMRXJXPYQSU-KRWDZBQOSA-N 1 0 306.450 2.452 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c(O)c1 ZINC001308835301 1147487868 /nfs/dbraw/zinc/48/78/68/1147487868.db2.gz JXJZZEBLMHEGQT-CYBMUJFWSA-N 1 0 314.389 2.186 20 10 DECDRO CCc1cccc(C[NH2+]Cc2cn(C(C)C)c(=O)[nH]c2=O)c1O ZINC001308913772 1147489662 /nfs/dbraw/zinc/48/96/62/1147489662.db2.gz FMXIMUYEANECDE-UHFFFAOYSA-N 1 0 317.389 2.088 20 10 DECDRO CCC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001317560391 1147725300 /nfs/dbraw/zinc/72/53/00/1147725300.db2.gz KTMDCHCKZLTCIW-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC(=O)NCC(C)C)CC2)cc1 ZINC001324704935 1147833327 /nfs/dbraw/zinc/83/33/27/1147833327.db2.gz XHUJBMLDOZDKNK-UHFFFAOYSA-N 1 0 319.449 2.026 20 10 DECDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324746503 1147839297 /nfs/dbraw/zinc/83/92/97/1147839297.db2.gz MRIBIPSKYLLIEQ-OAHLLOKOSA-N 1 0 321.440 2.188 20 10 DECDRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325128439 1147878655 /nfs/dbraw/zinc/87/86/55/1147878655.db2.gz LGIFXBKPQRHZKH-LJQANCHMSA-N 1 0 317.477 2.223 20 10 DECDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(N2CCCCC2)cc1 ZINC000090642945 185308019 /nfs/dbraw/zinc/30/80/19/185308019.db2.gz ZJUNHHBPPKGAQY-HNNXBMFYSA-N 1 0 304.434 2.336 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092734223 185336892 /nfs/dbraw/zinc/33/68/92/185336892.db2.gz WTWZDNWGSTVFAH-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000120106003 529840240 /nfs/dbraw/zinc/84/02/40/529840240.db2.gz WVZPCXCJBJCMSE-UHFFFAOYSA-N 1 0 315.211 2.017 20 10 DECDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4ccc(F)cc43)c21 ZINC000592516680 357892060 /nfs/dbraw/zinc/89/20/60/357892060.db2.gz VLXHIODSPTZWNA-LBPRGKRZSA-N 1 0 314.364 2.061 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000092070740 193152459 /nfs/dbraw/zinc/15/24/59/193152459.db2.gz WDXXVBMMAUCVRE-CQSZACIVSA-N 1 0 316.405 2.295 20 10 DECDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)c(C)n1-c1ccccn1 ZINC000834830603 649852757 /nfs/dbraw/zinc/85/27/57/649852757.db2.gz LOLRADQULVEBHP-CYBMUJFWSA-N 1 0 322.359 2.201 20 10 DECDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC000272368204 130024070 /nfs/dbraw/zinc/02/40/70/130024070.db2.gz DCIJVEPNSWXLCA-VQHVLOKHSA-N 1 0 318.417 2.492 20 10 DECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000273609681 130143480 /nfs/dbraw/zinc/14/34/80/130143480.db2.gz VMPSPIWFTTUCLY-WPRPVWTQSA-N 1 0 313.195 2.036 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@]12CCCO2 ZINC000273641400 130148126 /nfs/dbraw/zinc/14/81/26/130148126.db2.gz USTRMKBBZQYVQA-UXLLHSPISA-N 1 0 307.390 2.217 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000274403058 130232646 /nfs/dbraw/zinc/23/26/46/130232646.db2.gz BJTTXTYDTXDRSP-CYBMUJFWSA-N 1 0 309.385 2.212 20 10 DECDRO O[C@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCC12CCOCC2 ZINC000282878986 130944321 /nfs/dbraw/zinc/94/43/21/130944321.db2.gz RTZPOJZSQULMOW-AEFFLSMTSA-N 1 0 317.429 2.279 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000298972028 132084451 /nfs/dbraw/zinc/08/44/51/132084451.db2.gz OICQSFJEWUTGIL-UHFFFAOYSA-N 1 0 318.465 2.380 20 10 DECDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000131041797 401843505 /nfs/dbraw/zinc/84/35/05/401843505.db2.gz SLXVGCXGNJOBEI-HUTHGQBESA-N 1 0 320.252 2.354 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(O)(C(F)(F)F)CC1)OCO2 ZINC000089651819 401955727 /nfs/dbraw/zinc/95/57/27/401955727.db2.gz WPQZUDVPFIFGQX-UHFFFAOYSA-N 1 0 319.279 2.010 20 10 DECDRO O=C1NCCCN1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093669105 402018383 /nfs/dbraw/zinc/01/83/83/402018383.db2.gz JEFYZECPCPZMOV-UHFFFAOYSA-N 1 0 323.824 2.425 20 10 DECDRO CCCC[N@H+](CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052559848 402043800 /nfs/dbraw/zinc/04/38/00/402043800.db2.gz PYEQQKJENWKTKT-UHFFFAOYSA-N 1 0 320.393 2.234 20 10 DECDRO C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122392074 402076294 /nfs/dbraw/zinc/07/62/94/402076294.db2.gz LIVHKYIIQBXOFA-XQQFMLRXSA-N 1 0 306.406 2.018 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000176265470 402295219 /nfs/dbraw/zinc/29/52/19/402295219.db2.gz PKYZMRZIFZRWOV-IRXDYDNUSA-N 1 0 315.461 2.443 20 10 DECDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186203353 402410106 /nfs/dbraw/zinc/41/01/06/402410106.db2.gz JBLSPFWRDWNUGW-MWLCHTKSSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)ccc1O ZINC000186219968 402411827 /nfs/dbraw/zinc/41/18/27/402411827.db2.gz AXSLSZBYWNUOKI-MRVPVSSYSA-N 1 0 315.211 2.317 20 10 DECDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000186359726 402424444 /nfs/dbraw/zinc/42/44/44/402424444.db2.gz KFIWHQHSSHZDGH-UHFFFAOYSA-N 1 0 310.401 2.139 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1F ZINC000167739563 402493659 /nfs/dbraw/zinc/49/36/59/402493659.db2.gz AJFFXJQSZDCUDJ-OAHLLOKOSA-N 1 0 307.413 2.430 20 10 DECDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000248357052 402587336 /nfs/dbraw/zinc/58/73/36/402587336.db2.gz PAVCMGJZHXCCBV-CABCVRRESA-N 1 0 303.450 2.441 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000263763836 402801133 /nfs/dbraw/zinc/80/11/33/402801133.db2.gz RVBVPVCDHCQFKP-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)OC ZINC000273432459 403004429 /nfs/dbraw/zinc/00/44/29/403004429.db2.gz LFVJQXLABKPKHJ-GXSJLCMTSA-N 1 0 318.211 2.467 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281349697 403066527 /nfs/dbraw/zinc/06/65/27/403066527.db2.gz UCIAQFWBVDXXEK-WBVHZDCISA-N 1 0 317.433 2.463 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1 ZINC000268908225 403121364 /nfs/dbraw/zinc/12/13/64/403121364.db2.gz MJCZUCVQHVATSJ-YJBOKZPZSA-N 1 0 304.482 2.039 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000282980920 403164330 /nfs/dbraw/zinc/16/43/30/403164330.db2.gz JIIYOTOFKQGYHD-DOTOQJQBSA-N 1 0 305.418 2.358 20 10 DECDRO CCCC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1O ZINC000282479755 403155689 /nfs/dbraw/zinc/15/56/89/403155689.db2.gz OSRMCMBPJJKJNU-INIZCTEOSA-N 1 0 320.433 2.290 20 10 DECDRO CCOc1cccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1O ZINC000277609763 403236473 /nfs/dbraw/zinc/23/64/73/403236473.db2.gz APCBRTXCMLVWDB-OAHLLOKOSA-N 1 0 322.449 2.381 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000292551750 403370170 /nfs/dbraw/zinc/37/01/70/403370170.db2.gz SPJYMYFSZYQDJJ-WBVHZDCISA-N 1 0 324.428 2.313 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289832404 404001623 /nfs/dbraw/zinc/00/16/23/404001623.db2.gz UJBXQJXMEPJZRC-WCQYABFASA-N 1 0 319.323 2.394 20 10 DECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Cl ZINC000289846045 404004291 /nfs/dbraw/zinc/00/42/91/404004291.db2.gz UUMQXFSYURVDTN-OLZOCXBDSA-N 1 0 310.825 2.341 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000363480958 404163012 /nfs/dbraw/zinc/16/30/12/404163012.db2.gz FMJPUFHDTCVITA-HNNXBMFYSA-N 1 0 301.390 2.057 20 10 DECDRO COc1c([O-])c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365821540 404726722 /nfs/dbraw/zinc/72/67/22/404726722.db2.gz LGGTYWWYMGGKSK-STQMWFEESA-N 1 0 321.377 2.025 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000366253624 404780200 /nfs/dbraw/zinc/78/02/00/404780200.db2.gz VYOXBMUYYMESON-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000374889567 227141433 /nfs/dbraw/zinc/14/14/33/227141433.db2.gz CCMGKAIQFSGQKS-DOTOQJQBSA-N 1 0 301.390 2.214 20 10 DECDRO CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000273153551 287500506 /nfs/dbraw/zinc/50/05/06/287500506.db2.gz IJRVKZCLCQGZFQ-GXTWGEPZSA-N 1 0 308.422 2.265 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181139822 276119836 /nfs/dbraw/zinc/11/98/36/276119836.db2.gz MWLAZDDLMRMKDK-OWNNVSBGSA-N 1 0 304.390 2.054 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1 ZINC000273598759 277422920 /nfs/dbraw/zinc/42/29/20/277422920.db2.gz ROVAIKPSJGADPG-LRDDRELGSA-N 1 0 310.463 2.489 20 10 DECDRO [NH3+]CCCCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165183007 295227717 /nfs/dbraw/zinc/22/77/17/295227717.db2.gz NVGBWDOPOWFYNA-UHFFFAOYSA-N 1 0 319.449 2.049 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCO)c1O ZINC000186937909 301070395 /nfs/dbraw/zinc/07/03/95/301070395.db2.gz JOHOLRIKRCOVKA-SNVBAGLBSA-N 1 0 318.211 2.123 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000835027724 649868554 /nfs/dbraw/zinc/86/85/54/649868554.db2.gz GCAXEQWWCDXJFA-YZTRRJNXSA-N 1 0 304.434 2.239 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCSCCCO)c1O ZINC000230934373 533952025 /nfs/dbraw/zinc/95/20/25/533952025.db2.gz BKWXLWXAXNQWDD-UHFFFAOYSA-N 1 0 305.827 2.259 20 10 DECDRO COCCN1CCC[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036102 649869938 /nfs/dbraw/zinc/86/99/38/649869938.db2.gz HSSZLNOKHVLBMT-FHHGHWCOSA-N 1 0 317.477 2.466 20 10 DECDRO CCOCc1cc(C[NH2+][C@](C)(CCO)COC)ccc1OC ZINC000267370124 520188369 /nfs/dbraw/zinc/18/83/69/520188369.db2.gz PORXYMTXWPZQLF-QGZVFWFLSA-N 1 0 311.422 2.109 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000180194055 520554339 /nfs/dbraw/zinc/55/43/39/520554339.db2.gz BZBDPQUVJDSUQD-CVEARBPZSA-N 1 0 309.381 2.283 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000236675846 521042007 /nfs/dbraw/zinc/04/20/07/521042007.db2.gz RHLOYAFUFUZWNQ-INIZCTEOSA-N 1 0 301.434 2.149 20 10 DECDRO OC1CCN(c2ccc(CNc3cc[nH+]cc3)cc2F)CC1 ZINC001330404852 1149119128 /nfs/dbraw/zinc/11/91/28/1149119128.db2.gz MXMFHCICVZIWAI-UHFFFAOYSA-N 1 0 301.365 2.216 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000182531154 522748475 /nfs/dbraw/zinc/74/84/75/522748475.db2.gz MWMHLKFMESWCFK-LBPRGKRZSA-N 1 0 307.346 2.480 20 10 DECDRO COc1cc(O)c(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000160281091 522776713 /nfs/dbraw/zinc/77/67/13/522776713.db2.gz GJFKDWLTTTUTFK-CQSZACIVSA-N 1 0 320.433 2.327 20 10 DECDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000124114206 525178715 /nfs/dbraw/zinc/17/87/15/525178715.db2.gz MRVRTQVVYQQCQS-HNNXBMFYSA-N 1 0 307.371 2.180 20 10 DECDRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1O ZINC000370893700 526027270 /nfs/dbraw/zinc/02/72/70/526027270.db2.gz WMSRYZWCUCMWJS-UHFFFAOYSA-N 1 0 324.384 2.486 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@]12CCCO2 ZINC000272666869 535506563 /nfs/dbraw/zinc/50/65/63/535506563.db2.gz JFKTWQQNHNHXSR-BBWFWOEESA-N 1 0 307.390 2.217 20 10 DECDRO COCCCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298727055 536563096 /nfs/dbraw/zinc/56/30/96/536563096.db2.gz QKSJOKPIKHRGOT-UHFFFAOYSA-N 1 0 321.465 2.116 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000835041151 649870355 /nfs/dbraw/zinc/87/03/55/649870355.db2.gz WHJVWCKJLNSSQP-CGFBPQRUSA-N 1 0 301.434 2.400 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040421 649870357 /nfs/dbraw/zinc/87/03/57/649870357.db2.gz PCCRKEFBCYOUCE-UZYOAWRESA-N 1 0 310.463 2.179 20 10 DECDRO COCCN1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835041541 649870424 /nfs/dbraw/zinc/87/04/24/649870424.db2.gz YDWZJOZSQZFIHV-CHYADLBTSA-N 1 0 303.450 2.076 20 10 DECDRO C[C@H]1COCCN1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042512 649870644 /nfs/dbraw/zinc/87/06/44/649870644.db2.gz ISDJCIYHXGHYEW-APHBUQMISA-N 1 0 303.450 2.076 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074985 649875697 /nfs/dbraw/zinc/87/56/97/649875697.db2.gz UDZTXUSPSZNCOF-STQMWFEESA-N 1 0 324.808 2.297 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074983 649875731 /nfs/dbraw/zinc/87/57/31/649875731.db2.gz UDZTXUSPSZNCOF-QWHCGFSZSA-N 1 0 324.808 2.297 20 10 DECDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000319418906 625611439 /nfs/dbraw/zinc/61/14/39/625611439.db2.gz BHRHCNSDHKQNAV-MRXNPFEDSA-N 1 0 305.466 2.342 20 10 DECDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178308556 625616249 /nfs/dbraw/zinc/61/62/49/625616249.db2.gz QSRBGLZASOLIKT-OAHLLOKOSA-N 1 0 321.440 2.409 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c[nH]2)[NH+](C)C)cc1 ZINC000891246206 623790326 /nfs/dbraw/zinc/79/03/26/623790326.db2.gz ACUTVAPYPOSUJA-MRXNPFEDSA-N 1 0 318.396 2.253 20 10 DECDRO CCO[C@@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251155 623797354 /nfs/dbraw/zinc/79/73/54/623797354.db2.gz AENUGBGCUTXDOJ-IRXDYDNUSA-N 1 0 321.465 2.287 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\C2CC2)[NH+](C)C)cc1 ZINC000891254535 623800649 /nfs/dbraw/zinc/80/06/49/623800649.db2.gz ZGCNEFYRNVUNRR-UUKWBXHYSA-N 1 0 301.434 2.438 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001021799492 624094466 /nfs/dbraw/zinc/09/44/66/624094466.db2.gz QXPLPXGVRCYUEU-BQDHKBFISA-N 1 0 302.418 2.396 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891448960 624193364 /nfs/dbraw/zinc/19/33/64/624193364.db2.gz HHMILBPQFFWTPC-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO COc1ccc(C[NH2+]CCc2c(C)noc2C)c(O)c1OC ZINC000892905967 625706533 /nfs/dbraw/zinc/70/65/33/625706533.db2.gz QGRVLVBUGUVYLR-UHFFFAOYSA-N 1 0 306.362 2.347 20 10 DECDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178308540 624572566 /nfs/dbraw/zinc/57/25/66/624572566.db2.gz QSRBGLZASOLIKT-HNNXBMFYSA-N 1 0 321.440 2.409 20 10 DECDRO [NH3+]C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000892006725 624740730 /nfs/dbraw/zinc/74/07/30/624740730.db2.gz MDCCHSZNSIEWJT-HNNXBMFYSA-N 1 0 303.406 2.325 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2CCC2)[NH+](C)C)cc1 ZINC000892046527 624759112 /nfs/dbraw/zinc/75/91/12/624759112.db2.gz SVLUMIUZXGTNAQ-QGZVFWFLSA-N 1 0 318.465 2.455 20 10 DECDRO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892060379 624767040 /nfs/dbraw/zinc/76/70/40/624767040.db2.gz JMTPMDZXRYWZGE-UNEWFSDZSA-N 1 0 318.465 2.311 20 10 DECDRO C[C@H]1CSCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934299663 624832820 /nfs/dbraw/zinc/83/28/20/624832820.db2.gz CISGWUOQPWZMHD-AWEZNQCLSA-N 1 0 321.490 2.196 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000840898130 625135381 /nfs/dbraw/zinc/13/53/81/625135381.db2.gz FODBHIUKDFVKQT-SNVBAGLBSA-N 1 0 303.811 2.021 20 10 DECDRO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023150126 625170030 /nfs/dbraw/zinc/17/00/30/625170030.db2.gz WILGIRWNDXEDLG-BETUJISGSA-N 1 0 303.366 2.108 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000836249532 650071088 /nfs/dbraw/zinc/07/10/88/650071088.db2.gz LKMGAYQRZLRMTO-KRWDZBQOSA-N 1 0 318.465 2.377 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000725846415 632928729 /nfs/dbraw/zinc/92/87/29/632928729.db2.gz IAGBWIZDXKJHLQ-CQSZACIVSA-N 1 0 319.376 2.481 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccccc2-n2cncn2)c1O ZINC000733900909 633295282 /nfs/dbraw/zinc/29/52/82/633295282.db2.gz PKNQJQKNFPPYSJ-UHFFFAOYSA-N 1 0 310.357 2.271 20 10 DECDRO COc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000734064415 633325334 /nfs/dbraw/zinc/32/53/34/633325334.db2.gz HUHAVZMNOLJFEK-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000027355314 633524466 /nfs/dbraw/zinc/52/44/66/633524466.db2.gz MOSIRUPIGOVPFW-HNNXBMFYSA-N 1 0 318.465 2.426 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921654596 634259681 /nfs/dbraw/zinc/25/96/81/634259681.db2.gz JUSPGBDWONQIHG-HNNXBMFYSA-N 1 0 304.390 2.332 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)OC)C2)cc1C ZINC000998678870 634372748 /nfs/dbraw/zinc/37/27/48/634372748.db2.gz RSAPRPFKFYOZLN-GDBMZVCRSA-N 1 0 320.433 2.119 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000840940237 634934579 /nfs/dbraw/zinc/93/45/79/634934579.db2.gz WIZQOTXFUUXKTP-INIZCTEOSA-N 1 0 319.493 2.338 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000840947502 635292512 /nfs/dbraw/zinc/29/25/12/635292512.db2.gz WYOZPVGUJFADJI-ZDUSSCGKSA-N 1 0 310.463 2.116 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1OC ZINC000840963359 635805370 /nfs/dbraw/zinc/80/53/70/635805370.db2.gz RDAWTJRDOUQQGM-WBVHZDCISA-N 1 0 323.433 2.109 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CNOC2)c1O ZINC000925862680 635964418 /nfs/dbraw/zinc/96/44/18/635964418.db2.gz XNVSVJPGDLZGEW-WCBMZHEXSA-N 1 0 301.184 2.017 20 10 DECDRO CCOc1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)c(O)c1 ZINC000840979142 636014805 /nfs/dbraw/zinc/01/48/05/636014805.db2.gz ZDMHUWSPVHPMCH-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340584 636139961 /nfs/dbraw/zinc/13/99/61/636139961.db2.gz SGLLWVBRAQAXJV-CQSZACIVSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1C ZINC000922624126 636283284 /nfs/dbraw/zinc/28/32/84/636283284.db2.gz ULUYCVHTRUXHBW-UHFFFAOYSA-N 1 0 321.417 2.141 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922807870 636420939 /nfs/dbraw/zinc/42/09/39/636420939.db2.gz FIURWTQXWYGOHF-ZDUSSCGKSA-N 1 0 307.390 2.219 20 10 DECDRO CCOc1cccc(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)c1O ZINC000186595334 636459823 /nfs/dbraw/zinc/45/98/23/636459823.db2.gz MTYBKBMZVPGPSG-CRAIPNDOSA-N 1 0 323.433 2.447 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1O ZINC000894212094 636476888 /nfs/dbraw/zinc/47/68/88/636476888.db2.gz WNVVYVSOFOSFRY-GFCCVEGCSA-N 1 0 318.339 2.435 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1O ZINC000894272702 636651487 /nfs/dbraw/zinc/65/14/87/636651487.db2.gz DBBXVEMPGBTUNY-INIZCTEOSA-N 1 0 320.433 2.446 20 10 DECDRO O=C(NCCCSc1nccs1)N[C@H]1CCC[NH2+]CC1 ZINC000841855963 636841981 /nfs/dbraw/zinc/84/19/81/636841981.db2.gz DLXPYMQMQLEVQJ-NSHDSACASA-N 1 0 314.480 2.067 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922933720 636862895 /nfs/dbraw/zinc/86/28/95/636862895.db2.gz FMYZLUUVNREMDZ-JTQLQIEISA-N 1 0 316.195 2.050 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c(O)c1 ZINC000922950755 636879819 /nfs/dbraw/zinc/87/98/19/636879819.db2.gz PIHSUFVBXUHWMS-INIZCTEOSA-N 1 0 320.433 2.134 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccnn2C)cc1C ZINC000922971465 636890929 /nfs/dbraw/zinc/89/09/29/636890929.db2.gz YZNNIDNHLFLXDN-INIZCTEOSA-N 1 0 303.406 2.341 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c(O)c1OC ZINC000894556920 637100488 /nfs/dbraw/zinc/10/04/88/637100488.db2.gz OOFPRQBDPAZJSH-CQSZACIVSA-N 1 0 317.389 2.361 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]C3CC3)CC2)cc1F ZINC000923326855 637118778 /nfs/dbraw/zinc/11/87/78/637118778.db2.gz OBCHRGUAAPKAAN-UHFFFAOYSA-N 1 0 307.413 2.098 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000894614044 637131938 /nfs/dbraw/zinc/13/19/38/637131938.db2.gz KQYQVUNXNIEKSD-AWEZNQCLSA-N 1 0 306.406 2.057 20 10 DECDRO COc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c(O)c1OC ZINC000894628614 637140020 /nfs/dbraw/zinc/14/00/20/637140020.db2.gz PPDGVBHNWMDPHI-UHFFFAOYSA-N 1 0 323.389 2.138 20 10 DECDRO OC[C@@]1([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)CCCO1 ZINC000894648264 637148510 /nfs/dbraw/zinc/14/85/10/637148510.db2.gz HOJBBECDBGBFIJ-RBUKOAKNSA-N 1 0 317.429 2.421 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c(O)c1OC ZINC000894858679 637264722 /nfs/dbraw/zinc/26/47/22/637264722.db2.gz KJBOAKJENGEGNJ-ZIAGYGMSSA-N 1 0 307.390 2.457 20 10 DECDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788269015 637541758 /nfs/dbraw/zinc/54/17/58/637541758.db2.gz KDTAGPYYMINZHM-KWQFWETISA-N 1 0 316.195 2.118 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2(C(=O)NCCOC)CC2)cc1 ZINC000840823021 650362616 /nfs/dbraw/zinc/36/26/16/650362616.db2.gz RUCKWFIUNAQXIZ-CQSZACIVSA-N 1 0 319.449 2.089 20 10 DECDRO COc1ccc([C@@H](CO)C[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000839183677 637812854 /nfs/dbraw/zinc/81/28/54/637812854.db2.gz AEQPBEVMIUSLKF-CQSZACIVSA-N 1 0 317.385 2.275 20 10 DECDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000840885580 650371257 /nfs/dbraw/zinc/37/12/57/650371257.db2.gz XNMRPLSFVVTNKO-UHFFFAOYSA-N 1 0 312.417 2.165 20 10 DECDRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499777 637897387 /nfs/dbraw/zinc/89/73/87/637897387.db2.gz TXXACQNOCGOMIQ-GJZGRUSLSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c(O)c1OC ZINC000895305339 637905746 /nfs/dbraw/zinc/90/57/46/637905746.db2.gz WPPPBGVSPBAZQJ-ZDUSSCGKSA-N 1 0 308.422 2.372 20 10 DECDRO COc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000895320679 637925079 /nfs/dbraw/zinc/92/50/79/637925079.db2.gz IHJMJLZXADHPNM-OAHLLOKOSA-N 1 0 320.433 2.313 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000840914482 650379685 /nfs/dbraw/zinc/37/96/85/650379685.db2.gz UJFMYBIUYYBGEL-JKSUJKDBSA-N 1 0 324.852 2.385 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1F ZINC000727468687 637960414 /nfs/dbraw/zinc/96/04/14/637960414.db2.gz MDKUAJXIXYSUPP-UHFFFAOYSA-N 1 0 315.392 2.209 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000840934626 650389105 /nfs/dbraw/zinc/38/91/05/650389105.db2.gz SWSYBEMXWSOTML-FRFSOERESA-N 1 0 301.434 2.160 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc(N2CCOCC2)cc1 ZINC000742368728 638064202 /nfs/dbraw/zinc/06/42/02/638064202.db2.gz HALIYLBBGREKGQ-AWEZNQCLSA-N 1 0 316.401 2.459 20 10 DECDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1O ZINC000742374496 638066004 /nfs/dbraw/zinc/06/60/04/638066004.db2.gz RSLQMVXRCNQFPE-KRWDZBQOSA-N 1 0 323.396 2.320 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000742379938 638066093 /nfs/dbraw/zinc/06/60/93/638066093.db2.gz GLAJXJGTVTUQMU-WMZOPIPTSA-N 1 0 304.434 2.428 20 10 DECDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840978595 650398990 /nfs/dbraw/zinc/39/89/90/650398990.db2.gz ONUFSIWPYKASNB-HOCLYGCPSA-N 1 0 322.424 2.255 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000895776703 638193784 /nfs/dbraw/zinc/19/37/84/638193784.db2.gz KJNFEJGLUICRSZ-IYBDPMFKSA-N 1 0 318.486 2.443 20 10 DECDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000895786448 638196451 /nfs/dbraw/zinc/19/64/51/638196451.db2.gz TYIZQXGFGLMTNU-KRWDZBQOSA-N 1 0 323.389 2.231 20 10 DECDRO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840979972 650399789 /nfs/dbraw/zinc/39/97/89/650399789.db2.gz VUHLFOWDAFFBSC-CVEARBPZSA-N 1 0 322.424 2.303 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895859653 638237371 /nfs/dbraw/zinc/23/73/71/638237371.db2.gz UZZGEEQKFYJYCA-DZGCQCFKSA-N 1 0 309.406 2.240 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000745786082 638289963 /nfs/dbraw/zinc/28/99/63/638289963.db2.gz DOHFIDRYENXQPQ-OCCSQVGLSA-N 1 0 322.428 2.174 20 10 DECDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[NH2+]2)ccc1N1CCCCC1 ZINC000841035147 650410401 /nfs/dbraw/zinc/41/04/01/650410401.db2.gz IBMPIVSWFSPKCN-OAHLLOKOSA-N 1 0 318.421 2.427 20 10 DECDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)cc(OC)c1O ZINC000841037554 650411122 /nfs/dbraw/zinc/41/11/22/650411122.db2.gz AOJXWVSBCCEBSS-UHFFFAOYSA-N 1 0 302.374 2.324 20 10 DECDRO C[NH2+]CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841041076 650411841 /nfs/dbraw/zinc/41/18/41/650411841.db2.gz BYENSGDHMLSJJO-UHFFFAOYSA-N 1 0 306.410 2.284 20 10 DECDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000746709260 638371409 /nfs/dbraw/zinc/37/14/09/638371409.db2.gz GNEYKVFYFKDWFP-CYBMUJFWSA-N 1 0 312.435 2.027 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1F ZINC000748241916 638534665 /nfs/dbraw/zinc/53/46/65/638534665.db2.gz GRKMRLUSXBDQAY-OAHLLOKOSA-N 1 0 307.413 2.382 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000896576568 638591513 /nfs/dbraw/zinc/59/15/13/638591513.db2.gz BVFZDHFWGNGEIR-OAHLLOKOSA-N 1 0 304.434 2.259 20 10 DECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1cccc(F)c1 ZINC000749120826 638616861 /nfs/dbraw/zinc/61/68/61/638616861.db2.gz XFSMCNLTFVJADD-QGHHPUGFSA-N 1 0 319.332 2.472 20 10 DECDRO CCO[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)CN(C)C ZINC000896879534 638753609 /nfs/dbraw/zinc/75/36/09/638753609.db2.gz CXIRTIDHTYECOA-CYBMUJFWSA-N 1 0 316.829 2.111 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000896920209 639079646 /nfs/dbraw/zinc/07/96/46/639079646.db2.gz FNPTUAOAZJMMGM-HNNXBMFYSA-N 1 0 307.390 2.219 20 10 DECDRO CCOc1ccc(C[NH2+]CCCNc2ncccn2)c(O)c1 ZINC000751504756 639087881 /nfs/dbraw/zinc/08/78/81/639087881.db2.gz CRADVGRAZQHFEM-UHFFFAOYSA-N 1 0 302.378 2.173 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000752798316 639221985 /nfs/dbraw/zinc/22/19/85/639221985.db2.gz YNYMOEIHLFOUGE-AWEZNQCLSA-N 1 0 323.400 2.444 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)C2CCC(NC(C)=O)CC2)c1 ZINC000753592659 639318067 /nfs/dbraw/zinc/31/80/67/639318067.db2.gz ZNECNOMLQMKUOI-UHFFFAOYSA-N 1 0 306.406 2.280 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729077 639335975 /nfs/dbraw/zinc/33/59/75/639335975.db2.gz DZGFDPLCGXFFEC-CZUORRHYSA-N 1 0 310.463 2.371 20 10 DECDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)S(C)(=O)=O ZINC000756768955 639693059 /nfs/dbraw/zinc/69/30/59/639693059.db2.gz BQFXEAQLXVWFTK-KKZNHRDASA-N 1 0 301.383 2.102 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000756864329 639706274 /nfs/dbraw/zinc/70/62/74/639706274.db2.gz XKGKMGUZGKCBTL-MSOLQXFVSA-N 1 0 314.385 2.320 20 10 DECDRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839660556 639783707 /nfs/dbraw/zinc/78/37/07/639783707.db2.gz MOLSUPWSOSVXQX-CQSZACIVSA-N 1 0 303.450 2.489 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc(OC)ccc1O ZINC000758771002 639993485 /nfs/dbraw/zinc/99/34/85/639993485.db2.gz JTXDFNAPPVBTFW-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000841719418 650551312 /nfs/dbraw/zinc/55/13/12/650551312.db2.gz LZXQPAVNQQHGKZ-INIZCTEOSA-N 1 0 318.465 2.332 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000841720698 650551331 /nfs/dbraw/zinc/55/13/31/650551331.db2.gz ZIGZHQRRJGTXTH-QGZVFWFLSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709989 650546878 /nfs/dbraw/zinc/54/68/78/650546878.db2.gz QZEVMCRCZXDQFC-AWEZNQCLSA-N 1 0 304.438 2.213 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709363 650546907 /nfs/dbraw/zinc/54/69/07/650546907.db2.gz DUCNRTDPECITKK-HOCLYGCPSA-N 1 0 316.449 2.166 20 10 DECDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758311 650557949 /nfs/dbraw/zinc/55/79/49/650557949.db2.gz ALJSFTCYWAGTDL-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000841765144 650559066 /nfs/dbraw/zinc/55/90/66/650559066.db2.gz NGZARAQEBFWGFY-GHMZBOCLSA-N 1 0 300.349 2.391 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2CCO)c1O ZINC000761201632 640284181 /nfs/dbraw/zinc/28/41/81/640284181.db2.gz CHNQKZQFEKZWJZ-LBPRGKRZSA-N 1 0 317.838 2.354 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000761206315 640284793 /nfs/dbraw/zinc/28/47/93/640284793.db2.gz WAJLXTSEJQOJQX-UHFFFAOYSA-N 1 0 315.797 2.028 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000841797922 650566967 /nfs/dbraw/zinc/56/69/67/650566967.db2.gz CPLIQCMQAZVKFV-AWEZNQCLSA-N 1 0 322.428 2.223 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841827513 650573050 /nfs/dbraw/zinc/57/30/50/650573050.db2.gz NLUJTFLUVZXVBK-OAHLLOKOSA-N 1 0 304.438 2.002 20 10 DECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841829458 650574040 /nfs/dbraw/zinc/57/40/40/650574040.db2.gz PWKOJPUGJJLOQL-KRWDZBQOSA-N 1 0 318.465 2.375 20 10 DECDRO C[C@H](CCC[NH3+])NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841852896 650580375 /nfs/dbraw/zinc/58/03/75/650580375.db2.gz SJCQLOGHUQKCCN-LLVKDONJSA-N 1 0 318.446 2.173 20 10 DECDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000841856349 650581607 /nfs/dbraw/zinc/58/16/07/650581607.db2.gz IUAGCHUSSHQQCS-LLVKDONJSA-N 1 0 314.480 2.019 20 10 DECDRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCCSc1nccs1 ZINC000841856217 650581740 /nfs/dbraw/zinc/58/17/40/650581740.db2.gz HGRWRJHGGQYHPX-NSHDSACASA-N 1 0 314.480 2.148 20 10 DECDRO C[C@@H](CCC[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841857642 650582217 /nfs/dbraw/zinc/58/22/17/650582217.db2.gz QJHWWIOQUWGBOG-JTQLQIEISA-N 1 0 302.469 2.052 20 10 DECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N1CC[NH+](C)CC1 ZINC000841746658 640492929 /nfs/dbraw/zinc/49/29/29/640492929.db2.gz JVNCUTNDKVIFQM-OLZOCXBDSA-N 1 0 311.857 2.332 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1F ZINC000763465563 640545447 /nfs/dbraw/zinc/54/54/47/640545447.db2.gz ABQOXASZSMPMJW-MRXNPFEDSA-N 1 0 310.413 2.159 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881558 650591243 /nfs/dbraw/zinc/59/12/43/650591243.db2.gz SFNOXECPPWAKSC-YCPHGPKFSA-N 1 0 318.465 2.440 20 10 DECDRO C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(N(C)C)cc1 ZINC000841880816 650591326 /nfs/dbraw/zinc/59/13/26/650591326.db2.gz HYHPVHZVOQQSJR-ZWNOBZJWSA-N 1 0 314.380 2.095 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH2+]CC1 ZINC000841916352 650601950 /nfs/dbraw/zinc/60/19/50/650601950.db2.gz VOJCLPVZSPPPIM-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000841942015 650607319 /nfs/dbraw/zinc/60/73/19/650607319.db2.gz REYOPYKYACRVCK-OAHLLOKOSA-N 1 0 304.438 2.036 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000765750275 640814598 /nfs/dbraw/zinc/81/45/98/640814598.db2.gz GHNSLDPMZQJKTC-CABCVRRESA-N 1 0 318.465 2.377 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841965207 650615314 /nfs/dbraw/zinc/61/53/14/650615314.db2.gz FAVJWVDVUJZYSA-OAHLLOKOSA-N 1 0 305.422 2.441 20 10 DECDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000766489678 640888210 /nfs/dbraw/zinc/88/82/10/640888210.db2.gz PNRZHDUUOKVNQG-QGZVFWFLSA-N 1 0 301.361 2.454 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000766666339 640902502 /nfs/dbraw/zinc/90/25/02/640902502.db2.gz OVQQWVQJBWUMSU-MRXNPFEDSA-N 1 0 323.458 2.280 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000841986591 650620245 /nfs/dbraw/zinc/62/02/45/650620245.db2.gz SYMQNTIQEUXJQW-UHFFFAOYSA-N 1 0 316.449 2.204 20 10 DECDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841978614 650618039 /nfs/dbraw/zinc/61/80/39/650618039.db2.gz STJNUMXJAJMSSQ-LRDDRELGSA-N 1 0 317.433 2.068 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841977627 650618067 /nfs/dbraw/zinc/61/80/67/650618067.db2.gz NPALRYFHBXIAOX-UKRRQHHQSA-N 1 0 305.422 2.312 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000842009310 650627300 /nfs/dbraw/zinc/62/73/00/650627300.db2.gz AIUORXOCSRAWQU-HUUCEWRRSA-N 1 0 304.438 2.021 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842010552 650627432 /nfs/dbraw/zinc/62/74/32/650627432.db2.gz MPVVABVCXQMNGZ-CVEARBPZSA-N 1 0 318.465 2.412 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)[C@@H](O)CO2 ZINC000768464776 641084828 /nfs/dbraw/zinc/08/48/28/641084828.db2.gz ACKMRTBSYJZUKW-KRWDZBQOSA-N 1 0 319.401 2.209 20 10 DECDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(C)C ZINC000768465782 641085037 /nfs/dbraw/zinc/08/50/37/641085037.db2.gz LDXJKVSHYBJCAR-YXJHDRRASA-N 1 0 321.417 2.453 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000768518393 641091547 /nfs/dbraw/zinc/09/15/47/641091547.db2.gz DHLLOWPXZAMKCI-UHFFFAOYSA-N 1 0 305.296 2.290 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000842006298 650626340 /nfs/dbraw/zinc/62/63/40/650626340.db2.gz LTPLXTVLYXPABD-OAHLLOKOSA-N 1 0 306.454 2.410 20 10 DECDRO CCN(CC)C(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769147371 641185550 /nfs/dbraw/zinc/18/55/50/641185550.db2.gz PBFGDWHPZSUNNI-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CO)C2)ccc1N1CCCCC1 ZINC000769236499 641200482 /nfs/dbraw/zinc/20/04/82/641200482.db2.gz AXRRBOIEKZCWQI-HNNXBMFYSA-N 1 0 319.405 2.399 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000769339404 641221510 /nfs/dbraw/zinc/22/15/10/641221510.db2.gz WZOAPOFQWNFLJJ-CQSZACIVSA-N 1 0 318.417 2.378 20 10 DECDRO C[NH+]1CCN(c2ccc(CNCc3cscn3)cc2)CC1 ZINC000771819731 641554747 /nfs/dbraw/zinc/55/47/47/641554747.db2.gz VFSYWTCXKIBGSL-UHFFFAOYSA-N 1 0 302.447 2.185 20 10 DECDRO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Cl)ccc1O ZINC000927146381 641774208 /nfs/dbraw/zinc/77/42/08/641774208.db2.gz NQTQUTJJFSOJEI-ONGXEEELSA-N 1 0 306.797 2.382 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC[NH+]1CCCC1 ZINC000773747708 641819151 /nfs/dbraw/zinc/81/91/51/641819151.db2.gz FMBSYTYHCQDUNU-AWEZNQCLSA-N 1 0 320.433 2.411 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ncccn1 ZINC000774487281 641910187 /nfs/dbraw/zinc/91/01/87/641910187.db2.gz YPDWSBVWWWVCGQ-QWHCGFSZSA-N 1 0 313.405 2.220 20 10 DECDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000775382368 642036059 /nfs/dbraw/zinc/03/60/59/642036059.db2.gz VVMRTKOQZXBJHU-ZBFHGGJFSA-N 1 0 309.431 2.067 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CCC(C)(C)O)c1O ZINC000775370223 642036560 /nfs/dbraw/zinc/03/65/60/642036560.db2.gz MDIYVAIUTDDHJF-UHFFFAOYSA-N 1 0 318.211 2.414 20 10 DECDRO CCNS(=O)(=O)CC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775518342 642054873 /nfs/dbraw/zinc/05/48/73/642054873.db2.gz FFGSTYFBXHPHRD-GFCCVEGCSA-N 1 0 320.842 2.026 20 10 DECDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833802 642103216 /nfs/dbraw/zinc/10/32/16/642103216.db2.gz MTXWUNDJHRVZDZ-RBSFLKMASA-N 1 0 319.449 2.039 20 10 DECDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775836096 642103657 /nfs/dbraw/zinc/10/36/57/642103657.db2.gz YWQDGPQITYVVAH-LBPRGKRZSA-N 1 0 302.378 2.338 20 10 DECDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000776000168 642121309 /nfs/dbraw/zinc/12/13/09/642121309.db2.gz LDTKMLULZIOVAU-STQMWFEESA-N 1 0 322.405 2.357 20 10 DECDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760114 642121706 /nfs/dbraw/zinc/12/17/06/642121706.db2.gz OHPIZVCRJBFBLI-YZVOILCLSA-N 1 0 318.461 2.408 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000776221907 642145512 /nfs/dbraw/zinc/14/55/12/642145512.db2.gz XEPKJNAAFBNFDI-CUOATXAZSA-N 1 0 308.809 2.453 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=S)NCC2CC2)[NH+](C)C)cc1 ZINC000899723911 642149498 /nfs/dbraw/zinc/14/94/98/642149498.db2.gz FXGLJCHTPHJPEN-INIZCTEOSA-N 1 0 320.506 2.229 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1ccccc1O ZINC000776866667 642214058 /nfs/dbraw/zinc/21/40/58/642214058.db2.gz GKNAXSHHHUREIU-UXLLHSPISA-N 1 0 309.406 2.253 20 10 DECDRO C[C@H](CCO)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339207 642489032 /nfs/dbraw/zinc/48/90/32/642489032.db2.gz AINJLLTXNJXJMM-DOMZBBRYSA-N 1 0 312.841 2.371 20 10 DECDRO CCC[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779473583 642503152 /nfs/dbraw/zinc/50/31/52/642503152.db2.gz UPLUYRPIYKOCQH-GQCTYLIASA-N 1 0 304.390 2.102 20 10 DECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514366 642506762 /nfs/dbraw/zinc/50/67/62/642506762.db2.gz LEWNXGMPQFTQDC-BIYBCCJYSA-N 1 0 318.417 2.490 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000779522527 642507964 /nfs/dbraw/zinc/50/79/64/642507964.db2.gz UCFMIEQJNHTEPD-RQOWECAXSA-N 1 0 322.324 2.330 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C ZINC000779539500 642509281 /nfs/dbraw/zinc/50/92/81/642509281.db2.gz GLPNFZNJYCFXPX-DZTBXEGKSA-N 1 0 304.390 2.052 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC000901129168 642572458 /nfs/dbraw/zinc/57/24/58/642572458.db2.gz AGYIAGRPTPSAFQ-DZGCQCFKSA-N 1 0 304.390 2.034 20 10 DECDRO CNC(=O)CC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781906627 642796948 /nfs/dbraw/zinc/79/69/48/642796948.db2.gz DBBAGIDNIICNPY-UHFFFAOYSA-N 1 0 315.211 2.031 20 10 DECDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1O)OC[C@@H]3O)CCOCC2 ZINC000842637743 650791438 /nfs/dbraw/zinc/79/14/38/650791438.db2.gz DQTPEABOKGXTLB-WBMJQRKESA-N 1 0 319.401 2.209 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@@H]3C)CC2)cc1 ZINC000783227084 642983701 /nfs/dbraw/zinc/98/37/01/642983701.db2.gz SRCSANBZZUMGEF-YJBOKZPZSA-N 1 0 303.450 2.205 20 10 DECDRO C[C@H]([NH2+]CCCON)c1ccc(N2CCOCC2)cc1Cl ZINC000902419258 643033662 /nfs/dbraw/zinc/03/36/62/643033662.db2.gz RAMGRDUEWIOYIG-LBPRGKRZSA-N 1 0 313.829 2.108 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711141 650809189 /nfs/dbraw/zinc/80/91/89/650809189.db2.gz ZJGVPUDTXCJDDO-AAEUAGOBSA-N 1 0 312.360 2.068 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1 ZINC000842721200 650811232 /nfs/dbraw/zinc/81/12/32/650811232.db2.gz QMRGSVXIJPPZND-CQSZACIVSA-N 1 0 306.406 2.280 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000842757899 650818952 /nfs/dbraw/zinc/81/89/52/650818952.db2.gz CTZGKJIDTVSTCM-KRWDZBQOSA-N 1 0 309.406 2.058 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C(=O)NC)C(C)C)ccc1OC ZINC000785582815 643251545 /nfs/dbraw/zinc/25/15/45/643251545.db2.gz GYMAUTDPFKUDGV-INIZCTEOSA-N 1 0 308.422 2.092 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000903342805 643319722 /nfs/dbraw/zinc/31/97/22/643319722.db2.gz KRBNNZOVHOFDEJ-KBPBESRZSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000786160901 643332755 /nfs/dbraw/zinc/33/27/55/643332755.db2.gz LYKFPKZFRGJDSO-OAHLLOKOSA-N 1 0 301.386 2.402 20 10 DECDRO CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(C)cc1O ZINC000903428730 643346956 /nfs/dbraw/zinc/34/69/56/643346956.db2.gz LISJGXBJZMDSHS-CQSZACIVSA-N 1 0 317.389 2.094 20 10 DECDRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Cl)ccc1O ZINC000903433439 643348420 /nfs/dbraw/zinc/34/84/20/643348420.db2.gz WSSWXAACEHOABS-SNVBAGLBSA-N 1 0 323.780 2.049 20 10 DECDRO CNC(=O)c1cccc(N(C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903575981 643395064 /nfs/dbraw/zinc/39/50/64/643395064.db2.gz XLBLDLVWJRWCFJ-UHFFFAOYSA-N 1 0 309.413 2.328 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000787235657 643469595 /nfs/dbraw/zinc/46/95/95/643469595.db2.gz ATONEHVYLNCJNP-DGCLKSJQSA-N 1 0 300.358 2.324 20 10 DECDRO C[C@@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000924795276 643578203 /nfs/dbraw/zinc/57/82/03/643578203.db2.gz MMWYAHCZQXEYTI-AYBZRNKSSA-N 1 0 315.461 2.268 20 10 DECDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926682 650853543 /nfs/dbraw/zinc/85/35/43/650853543.db2.gz ARVPUWYKAXVBEA-VNHYZAJKSA-N 1 0 308.397 2.490 20 10 DECDRO [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421104 643669546 /nfs/dbraw/zinc/66/95/46/643669546.db2.gz OROIWRQVXSBBPT-CMPLNLGQSA-N 1 0 311.223 2.196 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@@H](O)c1ccccc1 ZINC000905085370 643779612 /nfs/dbraw/zinc/77/96/12/643779612.db2.gz AEAWVJMBESUAHI-QZTJIDSGSA-N 1 0 313.397 2.196 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000789879963 643784697 /nfs/dbraw/zinc/78/46/97/643784697.db2.gz JAELEYWVXQBQOR-UHFFFAOYSA-N 1 0 324.428 2.149 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905292822 643848523 /nfs/dbraw/zinc/84/85/23/643848523.db2.gz RIPLEPUNSGMLFB-MAUKXSAKSA-N 1 0 320.477 2.248 20 10 DECDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843046901 650876351 /nfs/dbraw/zinc/87/63/51/650876351.db2.gz DHRXQZMUKIHUEP-AWEZNQCLSA-N 1 0 318.421 2.379 20 10 DECDRO CCCN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000843053292 650878465 /nfs/dbraw/zinc/87/84/65/650878465.db2.gz UDPXYQSOIIRGLX-MRXNPFEDSA-N 1 0 321.440 2.236 20 10 DECDRO CCCN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000843053291 650878541 /nfs/dbraw/zinc/87/85/41/650878541.db2.gz UDPXYQSOIIRGLX-INIZCTEOSA-N 1 0 321.440 2.236 20 10 DECDRO CCOc1cccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1O ZINC000843120423 650900374 /nfs/dbraw/zinc/90/03/74/650900374.db2.gz KEYUCKVLXYHVPC-MRXNPFEDSA-N 1 0 313.401 2.332 20 10 DECDRO COc1cc(O)c(CN[C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000843129131 650902362 /nfs/dbraw/zinc/90/23/62/650902362.db2.gz RTAKZQVIPRJCRH-MRXNPFEDSA-N 1 0 306.406 2.174 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c(O)c1 ZINC000793386057 644243621 /nfs/dbraw/zinc/24/36/21/644243621.db2.gz IKKMEYRPODDXGA-UHFFFAOYSA-N 1 0 314.389 2.081 20 10 DECDRO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(O)c1 ZINC000794378331 644405725 /nfs/dbraw/zinc/40/57/25/644405725.db2.gz VAEJNJZWEGPPRC-CYBMUJFWSA-N 1 0 306.406 2.282 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(O)cc1C ZINC000795692872 644620026 /nfs/dbraw/zinc/62/00/26/644620026.db2.gz RJPAZOOZLKLCDB-GDBMZVCRSA-N 1 0 320.433 2.004 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000795834413 644644876 /nfs/dbraw/zinc/64/48/76/644644876.db2.gz VAWCJUHCUJBRET-BYNQJWBRSA-N 1 0 309.381 2.314 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c(O)c1 ZINC000907924917 644690816 /nfs/dbraw/zinc/69/08/16/644690816.db2.gz AVYOXEAOJJIVMB-UKRRQHHQSA-N 1 0 304.390 2.034 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000843368640 650959605 /nfs/dbraw/zinc/95/96/05/650959605.db2.gz PYLSNTYRUFAZQL-KNXALSJPSA-N 1 0 306.381 2.293 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843485267 650982657 /nfs/dbraw/zinc/98/26/57/650982657.db2.gz JUKNSYVYEXFNFN-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC000843507683 650987044 /nfs/dbraw/zinc/98/70/44/650987044.db2.gz QWNMCVHNCKVHMD-CZUORRHYSA-N 1 0 319.449 2.011 20 10 DECDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000843508253 650987128 /nfs/dbraw/zinc/98/71/28/650987128.db2.gz UBSLJFMXDPNGRP-KEYYUXOJSA-N 1 0 319.449 2.011 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1C ZINC000800534114 645284930 /nfs/dbraw/zinc/28/49/30/645284930.db2.gz KMTLWJAKBPMVOM-OAHLLOKOSA-N 1 0 311.447 2.408 20 10 DECDRO C[C@H]([NH2+]CCN(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000806171667 645806429 /nfs/dbraw/zinc/80/64/29/645806429.db2.gz RCCVOZIEZIDEEV-ZDUSSCGKSA-N 1 0 311.857 2.389 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c(O)c1O ZINC000912029620 645910278 /nfs/dbraw/zinc/91/02/78/645910278.db2.gz ATNKVNHIBAVEQU-CYBMUJFWSA-N 1 0 306.406 2.209 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CC12COC2 ZINC000840100539 645961725 /nfs/dbraw/zinc/96/17/25/645961725.db2.gz ZXEYDZQHQLNNQR-OAHLLOKOSA-N 1 0 319.401 2.021 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697822 646266119 /nfs/dbraw/zinc/26/61/19/646266119.db2.gz PBAVMUWQNBVHLI-PWSUYJOCSA-N 1 0 319.323 2.394 20 10 DECDRO COC(=O)c1cccc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000809729375 646269932 /nfs/dbraw/zinc/26/99/32/646269932.db2.gz GBTHBPXBNFLSFC-UHFFFAOYSA-N 1 0 301.342 2.477 20 10 DECDRO COc1ccc(N2CCCN(C(=O)CC[NH2+]C(C)C)CC2)cc1 ZINC000165750587 646506334 /nfs/dbraw/zinc/50/63/34/646506334.db2.gz UPZGLVTZGPCGFM-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c(O)c1 ZINC000815153179 646980734 /nfs/dbraw/zinc/98/07/34/646980734.db2.gz DDSSVHAYGRRTFT-MRXNPFEDSA-N 1 0 314.385 2.497 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815289907 646997996 /nfs/dbraw/zinc/99/79/96/646997996.db2.gz REMSPANJWRPBBB-QZTJIDSGSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1N(C)C ZINC000815288767 646998331 /nfs/dbraw/zinc/99/83/31/646998331.db2.gz BUIYWNOGXDKTBK-RBUKOAKNSA-N 1 0 318.461 2.471 20 10 DECDRO COC(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816494303 647141758 /nfs/dbraw/zinc/14/17/58/647141758.db2.gz GBWYQPGYVUJQSC-UHFFFAOYSA-N 1 0 300.358 2.429 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c(O)c1 ZINC000816654411 647163529 /nfs/dbraw/zinc/16/35/29/647163529.db2.gz GWEPWKMBNIXRML-UHFFFAOYSA-N 1 0 322.405 2.454 20 10 DECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000816910948 647196645 /nfs/dbraw/zinc/19/66/45/647196645.db2.gz XISJXVKMWKSOMU-AWEZNQCLSA-N 1 0 301.434 2.027 20 10 DECDRO Fc1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000914433278 647356297 /nfs/dbraw/zinc/35/62/97/647356297.db2.gz MSPIQGKVMVEFHV-RDJZCZTQSA-N 1 0 320.408 2.177 20 10 DECDRO COc1ccc(O)c(CNC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000817773300 647358234 /nfs/dbraw/zinc/35/82/34/647358234.db2.gz FBSOOBGLCIWCOE-UHFFFAOYSA-N 1 0 321.421 2.073 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000817866073 647369376 /nfs/dbraw/zinc/36/93/76/647369376.db2.gz VXJKTAGGOUZGRL-SCRDCRAPSA-N 1 0 308.422 2.215 20 10 DECDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817958921 647393893 /nfs/dbraw/zinc/39/38/93/647393893.db2.gz MTYASBDPIPHAKS-CJNGLKHVSA-N 1 0 309.429 2.296 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(C)nn3)C2)cc1 ZINC000818219185 647434957 /nfs/dbraw/zinc/43/49/57/647434957.db2.gz ABOZARQIGISTSF-OAHLLOKOSA-N 1 0 312.417 2.410 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCCCC[NH+]1CCCC1 ZINC000818343276 647456807 /nfs/dbraw/zinc/45/68/07/647456807.db2.gz PCXWLVGZEQJZSK-VQHVLOKHSA-N 1 0 318.417 2.493 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731864515 647515284 /nfs/dbraw/zinc/51/52/84/647515284.db2.gz YWKFDKZAISMFKM-ZDUSSCGKSA-N 1 0 304.415 2.356 20 10 DECDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953148 647547353 /nfs/dbraw/zinc/54/73/53/647547353.db2.gz DDXIZPHHHPBELA-KRWDZBQOSA-N 1 0 320.433 2.081 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000732278768 647557101 /nfs/dbraw/zinc/55/71/01/647557101.db2.gz ATOAPFJLKSPEOI-QGZVFWFLSA-N 1 0 301.434 2.170 20 10 DECDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC000820240333 647811058 /nfs/dbraw/zinc/81/10/58/647811058.db2.gz GDOVAJGJJGRNDV-RISCZKNCSA-N 1 0 317.393 2.404 20 10 DECDRO COC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000921052079 648270372 /nfs/dbraw/zinc/27/03/72/648270372.db2.gz XYKVFKIGRXINFN-UHFFFAOYSA-N 1 0 322.405 2.279 20 10 DECDRO C[C@H](NC(=O)NCc1c(O)cccc1F)C(C)(C)C[NH+](C)C ZINC000921388531 648303502 /nfs/dbraw/zinc/30/35/02/648303502.db2.gz KMENZJVHQIBXDT-NSHDSACASA-N 1 0 311.401 2.307 20 10 DECDRO C[C@@H](NC(=O)NCc1c(O)cccc1F)C(C)(C)C[NH+](C)C ZINC000921388530 648303513 /nfs/dbraw/zinc/30/35/13/648303513.db2.gz KMENZJVHQIBXDT-LLVKDONJSA-N 1 0 311.401 2.307 20 10 DECDRO CCOC(=O)CN(CC[C@@H]1CCCO1)Cc1ccccc1O ZINC000823576504 648445595 /nfs/dbraw/zinc/44/55/95/648445595.db2.gz QQDODOALWYQQBU-HNNXBMFYSA-N 1 0 307.390 2.326 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824517388 648600614 /nfs/dbraw/zinc/60/06/14/648600614.db2.gz UBHVHZOMCIPJSC-CQSZACIVSA-N 1 0 317.410 2.361 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)F ZINC000824634573 648627421 /nfs/dbraw/zinc/62/74/21/648627421.db2.gz ATQNXQMQMRYLHU-LSDHHAIUSA-N 1 0 314.376 2.017 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000824655184 648630753 /nfs/dbraw/zinc/63/07/53/648630753.db2.gz UQICWWXTCICYJJ-INMHGKMJSA-N 1 0 321.417 2.153 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000824976349 648680716 /nfs/dbraw/zinc/68/07/16/648680716.db2.gz AQBJJGIGMIXEDS-QGZVFWFLSA-N 1 0 323.458 2.410 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000825045024 648690701 /nfs/dbraw/zinc/69/07/01/648690701.db2.gz ATQQELCHBDPRPN-GDBMZVCRSA-N 1 0 301.390 2.444 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000825124122 648706294 /nfs/dbraw/zinc/70/62/94/648706294.db2.gz IDDOQIPOUWWFNE-GXTWGEPZSA-N 1 0 302.340 2.498 20 10 DECDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(=O)NC ZINC000825315508 648740687 /nfs/dbraw/zinc/74/06/87/648740687.db2.gz CMXHXAGKJVLNLS-LLVKDONJSA-N 1 0 315.211 2.077 20 10 DECDRO COCCOC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825320883 648741406 /nfs/dbraw/zinc/74/14/06/648741406.db2.gz PMKNYRHRGRLZBD-JTQLQIEISA-N 1 0 318.211 2.296 20 10 DECDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825320886 648741603 /nfs/dbraw/zinc/74/16/03/648741603.db2.gz PMKNYRHRGRLZBD-SNVBAGLBSA-N 1 0 318.211 2.296 20 10 DECDRO CO[C@]1(CO)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000826952861 648952275 /nfs/dbraw/zinc/95/22/75/648952275.db2.gz VJMDQVIEJRJLSW-WLPBJKJWSA-N 1 0 304.434 2.239 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC000827740607 649078336 /nfs/dbraw/zinc/07/83/36/649078336.db2.gz DGQDICNWLZGQKH-UHFFFAOYSA-N 1 0 320.389 2.208 20 10 DECDRO COC(=O)C1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000828669863 649207805 /nfs/dbraw/zinc/20/78/05/649207805.db2.gz SQQRCJZHSLWBMT-CQSZACIVSA-N 1 0 318.417 2.127 20 10 DECDRO [NH3+]C1(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000829003052 649258047 /nfs/dbraw/zinc/25/80/47/649258047.db2.gz HZVBZALALMZONF-HNNXBMFYSA-N 1 0 318.417 2.171 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)cc1F ZINC000829038977 649263778 /nfs/dbraw/zinc/26/37/78/649263778.db2.gz RNVAVBLAHSJYRY-JSGCOSHPSA-N 1 0 307.413 2.286 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)CSC)c1O ZINC000184709215 649352761 /nfs/dbraw/zinc/35/27/61/649352761.db2.gz ABCQYELOCPHZDZ-ZDUSSCGKSA-N 1 0 305.827 2.258 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000830609382 649467339 /nfs/dbraw/zinc/46/73/39/649467339.db2.gz FVVDONRCUQHVFF-KDURUIRLSA-N 1 0 317.477 2.486 20 10 DECDRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000733324849 649542688 /nfs/dbraw/zinc/54/26/88/649542688.db2.gz GPTMWCDOVNAQPD-UHFFFAOYSA-N 1 0 314.385 2.115 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000831186064 649550392 /nfs/dbraw/zinc/55/03/92/649550392.db2.gz IPFOPIWAMOHFIR-XJKSGUPXSA-N 1 0 316.449 2.255 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2CCOCC2)cc1 ZINC000832266523 649690655 /nfs/dbraw/zinc/69/06/55/649690655.db2.gz GXGGGSQDHCLZJK-QGZVFWFLSA-N 1 0 319.449 2.075 20 10 DECDRO CC[C@@H]1C[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000832283696 649691930 /nfs/dbraw/zinc/69/19/30/649691930.db2.gz ADZKTTYMIWQIIF-UAGQMJEPSA-N 1 0 319.449 2.074 20 10 DECDRO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)ccc1N(C)C ZINC000832549757 649723727 /nfs/dbraw/zinc/72/37/27/649723727.db2.gz DPFIWVHKCMEFDD-INIZCTEOSA-N 1 0 318.465 2.297 20 10 DECDRO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000844176793 651086701 /nfs/dbraw/zinc/08/67/01/651086701.db2.gz UNGBSOFXZOEXMS-CQSZACIVSA-N 1 0 319.449 2.218 20 10 DECDRO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399671 651122912 /nfs/dbraw/zinc/12/29/12/651122912.db2.gz MLCHGTPNDQFWTL-GJZGRUSLSA-N 1 0 321.465 2.366 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)CC(F)(F)F)cc1 ZINC000844400486 651123414 /nfs/dbraw/zinc/12/34/14/651123414.db2.gz COUZSCWXGSSJRY-ZDUSSCGKSA-N 1 0 320.355 2.377 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901144 651180679 /nfs/dbraw/zinc/18/06/79/651180679.db2.gz FLDSJNHNLJGQLT-WCQYABFASA-N 1 0 323.393 2.258 20 10 DECDRO COc1ccc(O)c(CNC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000844975784 651189542 /nfs/dbraw/zinc/18/95/42/651189542.db2.gz SRLGWGNNIOXUPF-UHFFFAOYSA-N 1 0 323.437 2.178 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H](C1CC1)C1CCOCC1)OCO2 ZINC000846043392 651304035 /nfs/dbraw/zinc/30/40/35/651304035.db2.gz YYJRQAADTWACSY-QGZVFWFLSA-N 1 0 305.374 2.416 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1O ZINC000846144690 651310676 /nfs/dbraw/zinc/31/06/76/651310676.db2.gz LSGAUXUIPVRWQY-UONOGXRCSA-N 1 0 308.422 2.020 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1O ZINC000846144683 651310680 /nfs/dbraw/zinc/31/06/80/651310680.db2.gz LSGAUXUIPVRWQY-KBPBESRZSA-N 1 0 308.422 2.020 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1O ZINC000846148253 651310979 /nfs/dbraw/zinc/31/09/79/651310979.db2.gz YSSOILRQUQJMGB-MELADBBJSA-N 1 0 308.422 2.161 20 10 DECDRO CCN(CC)c1ccc(CN(C)C[C@H](O)C[N@H+](C)CC)cc1 ZINC000846766488 651350403 /nfs/dbraw/zinc/35/04/03/651350403.db2.gz SRDYELDMXCQGKT-GOSISDBHSA-N 1 0 307.482 2.277 20 10 DECDRO C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000847405228 651394128 /nfs/dbraw/zinc/39/41/28/651394128.db2.gz CETBMGYYSPLHMB-ZDUSSCGKSA-N 1 0 312.417 2.287 20 10 DECDRO [NH3+]C[C@H](NCc1cc(Br)ccc1O)C(F)(F)F ZINC000848716378 651496267 /nfs/dbraw/zinc/49/62/67/651496267.db2.gz XNRQCPAKJMTFIU-VIFPVBQESA-N 1 0 313.117 2.134 20 10 DECDRO CCc1cccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c1O ZINC000848886323 651545662 /nfs/dbraw/zinc/54/56/62/651545662.db2.gz RWTNGRGYRZWRTJ-UHFFFAOYSA-N 1 0 314.433 2.006 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000848911581 651556999 /nfs/dbraw/zinc/55/69/99/651556999.db2.gz HGLFTBCLLFPENQ-DZGCQCFKSA-N 1 0 320.433 2.305 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855162644 651637259 /nfs/dbraw/zinc/63/72/59/651637259.db2.gz ZLQJKRUBQLLBON-HZRUHFOJSA-N 1 0 318.417 2.348 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1O ZINC000850353367 651908845 /nfs/dbraw/zinc/90/88/45/651908845.db2.gz BDJYKQPGCGCAJM-BPLDGKMQSA-N 1 0 309.406 2.057 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1O ZINC000850353748 651908902 /nfs/dbraw/zinc/90/89/02/651908902.db2.gz LUQWWOGXZSKWKA-CWRNSKLLSA-N 1 0 323.433 2.447 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850371047 651913715 /nfs/dbraw/zinc/91/37/15/651913715.db2.gz TXZZYXQTJARHKL-SBAHZNLJSA-N 1 0 322.474 2.321 20 10 DECDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850487782 651937740 /nfs/dbraw/zinc/93/77/40/651937740.db2.gz JVSJLVIWAIQNJN-SUMWQHHRSA-N 1 0 322.424 2.474 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C/C=C/CO)c1O ZINC000850508443 651941766 /nfs/dbraw/zinc/94/17/66/651941766.db2.gz MQYGMEVCRVUROR-CDAZIORVSA-N 1 0 316.195 2.362 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)OCC(F)(F)F)cc1 ZINC000850586479 651957637 /nfs/dbraw/zinc/95/76/37/651957637.db2.gz VFOILFMJCHFAHD-NSHDSACASA-N 1 0 305.300 2.041 20 10 DECDRO COc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000856812528 651990309 /nfs/dbraw/zinc/99/03/09/651990309.db2.gz ZHRCBMDTQWVMNJ-CQSZACIVSA-N 1 0 320.433 2.409 20 10 DECDRO C[C@H]([NH3+])CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000857115694 652054858 /nfs/dbraw/zinc/05/48/58/652054858.db2.gz PWUFPDUAGBKUNA-ZDUSSCGKSA-N 1 0 317.389 2.434 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000851658396 652201070 /nfs/dbraw/zinc/20/10/70/652201070.db2.gz BNWTXLSPGVQBCI-CZUORRHYSA-N 1 0 306.454 2.486 20 10 DECDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858241463 652287233 /nfs/dbraw/zinc/28/72/33/652287233.db2.gz UVWZANXUZOJWCZ-KRWDZBQOSA-N 1 0 306.450 2.410 20 10 DECDRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858276657 652294734 /nfs/dbraw/zinc/29/47/34/652294734.db2.gz UGEPVNUGTHIEEM-GOSISDBHSA-N 1 0 303.450 2.097 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858435584 652336456 /nfs/dbraw/zinc/33/64/56/652336456.db2.gz MJYFECMKIPLGAK-GWCFXTLKSA-N 1 0 309.797 2.472 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858435586 652336519 /nfs/dbraw/zinc/33/65/19/652336519.db2.gz MJYFECMKIPLGAK-MFKMUULPSA-N 1 0 309.797 2.472 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852790951 652457422 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C[C@H]([NH2+]CC1COC1)c1ccc(N2CCOCC2)cc1Cl ZINC000858550319 685556657 /nfs/dbraw/zinc/55/66/57/685556657.db2.gz MKNUZSDCVITNNE-LBPRGKRZSA-N 1 0 310.825 2.474 20 10 DECDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000038635159 683887979 /nfs/dbraw/zinc/88/79/79/683887979.db2.gz BGZZEWQVIMFWAX-MRXNPFEDSA-N 1 0 316.405 2.082 20 10 DECDRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000043862643 683902013 /nfs/dbraw/zinc/90/20/13/683902013.db2.gz UNTSIEDINKNHSS-UHFFFAOYSA-N 1 0 320.481 2.482 20 10 DECDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000126950796 684159089 /nfs/dbraw/zinc/15/90/89/684159089.db2.gz QHDXTHDSSLACGR-KRWDZBQOSA-N 1 0 322.474 2.344 20 10 DECDRO CC[NH+](CC)CCSCC(=O)NCc1c(O)cccc1F ZINC000928706110 693830162 /nfs/dbraw/zinc/83/01/62/693830162.db2.gz QMFOQZQLYARXHR-UHFFFAOYSA-N 1 0 314.426 2.223 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000246485213 685131240 /nfs/dbraw/zinc/13/12/40/685131240.db2.gz JVJBIMPBFKPHFF-GDBMZVCRSA-N 1 0 307.390 2.089 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861583237 686150302 /nfs/dbraw/zinc/15/03/02/686150302.db2.gz PUBHXUQWBUQJHA-UKRRQHHQSA-N 1 0 304.438 2.001 20 10 DECDRO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C[NH2+]1 ZINC000861590438 686151732 /nfs/dbraw/zinc/15/17/32/686151732.db2.gz RJCQWLPGAYZNBK-ZBFHGGJFSA-N 1 0 314.433 2.003 20 10 DECDRO COCCN(CC[NH+](C)C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367271 686283167 /nfs/dbraw/zinc/28/31/67/686283167.db2.gz BPSXHAGMOWXFMG-UHFFFAOYSA-N 1 0 315.408 2.041 20 10 DECDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862437228 686302411 /nfs/dbraw/zinc/30/24/11/686302411.db2.gz PSUAOQWMHHCVKK-UHFFFAOYSA-N 1 0 321.384 2.053 20 10 DECDRO COC(=O)[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC000862487441 686309625 /nfs/dbraw/zinc/30/96/25/686309625.db2.gz PBZCCMSOYJOCQI-YGRLFVJLSA-N 1 0 313.781 2.116 20 10 DECDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000863540210 686517399 /nfs/dbraw/zinc/51/73/99/686517399.db2.gz CITGBLJWXLXWKX-QAPCUYQASA-N 1 0 315.461 2.458 20 10 DECDRO COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000863541238 686518456 /nfs/dbraw/zinc/51/84/56/686518456.db2.gz HPOMYOHJHQIZCN-NHYWBVRUSA-N 1 0 304.390 2.114 20 10 DECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000864454580 686725417 /nfs/dbraw/zinc/72/54/17/686725417.db2.gz ONMRJXKUYAFSOJ-IUODEOHRSA-N 1 0 304.463 2.262 20 10 DECDRO COCC[C@@H](C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000865443043 687213661 /nfs/dbraw/zinc/21/36/61/687213661.db2.gz WLNXRWNEBLGRKQ-AWEZNQCLSA-N 1 0 324.421 2.412 20 10 DECDRO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Cl)cc1O ZINC000866496697 687591828 /nfs/dbraw/zinc/59/18/28/687591828.db2.gz VPTVQALACRYMQQ-JTQLQIEISA-N 1 0 304.781 2.375 20 10 DECDRO CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C)cc1O ZINC000866571203 687612668 /nfs/dbraw/zinc/61/26/68/687612668.db2.gz AQAPHKLVIRRGHM-CYBMUJFWSA-N 1 0 314.451 2.056 20 10 DECDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988719 688704851 /nfs/dbraw/zinc/70/48/51/688704851.db2.gz XUJGFGZDDDFKJU-FABXCBLPSA-N 1 0 306.406 2.102 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000871763491 688862277 /nfs/dbraw/zinc/86/22/77/688862277.db2.gz JAZKESOMELSURJ-IAGOWNOFSA-N 1 0 316.449 2.131 20 10 DECDRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000872203674 688951280 /nfs/dbraw/zinc/95/12/80/688951280.db2.gz ABECDZNVHLEIPV-MOPGFXCFSA-N 1 0 316.445 2.064 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000872292805 688975830 /nfs/dbraw/zinc/97/58/30/688975830.db2.gz RXQGXJWZFLPQQV-KYOSRNDESA-N 1 0 306.406 2.486 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1C ZINC000873080011 689155732 /nfs/dbraw/zinc/15/57/32/689155732.db2.gz JHRFLGDVCSDMCA-OAHLLOKOSA-N 1 0 311.447 2.451 20 10 DECDRO COc1ccc(C[NH2+]CCCN2CCC2)cc1Cn1cccn1 ZINC000873100038 689159357 /nfs/dbraw/zinc/15/93/57/689159357.db2.gz VVZXHDRYJJKAES-UHFFFAOYSA-N 1 0 314.433 2.125 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1Cn1cccn1 ZINC000873109568 689160012 /nfs/dbraw/zinc/16/00/12/689160012.db2.gz YDMXTVOGHLLBME-IAGOWNOFSA-N 1 0 315.417 2.189 20 10 DECDRO COc1ccc(C[NH2+]CC2=CCOCC2)cc1Cn1cccn1 ZINC000873128794 689165185 /nfs/dbraw/zinc/16/51/85/689165185.db2.gz DXJQWENIYUTHAQ-UHFFFAOYSA-N 1 0 313.401 2.376 20 10 DECDRO COc1cccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1O ZINC000873157750 689173107 /nfs/dbraw/zinc/17/31/07/689173107.db2.gz HVAQLKCPKXUTKA-UHFFFAOYSA-N 1 0 315.295 2.406 20 10 DECDRO CCOc1ccc(O)c(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873227137 689188999 /nfs/dbraw/zinc/18/89/99/689188999.db2.gz HJEZFTZFWFHDMF-YPMHNXCESA-N 1 0 318.339 2.360 20 10 DECDRO Fc1cc(CN[C@]23CCC[C@H]2[NH2+]CC3)ccc1N1CCOCC1 ZINC000873229842 689190150 /nfs/dbraw/zinc/19/01/50/689190150.db2.gz HIQFMCYAOODYDL-MSOLQXFVSA-N 1 0 319.424 2.037 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000875094110 689571036 /nfs/dbraw/zinc/57/10/36/689571036.db2.gz YBINRKISBVKZTL-MELADBBJSA-N 1 0 303.406 2.379 20 10 DECDRO CCCc1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)co1 ZINC000876506915 689841952 /nfs/dbraw/zinc/84/19/52/689841952.db2.gz QLOPEVRNHGYWOQ-CQSZACIVSA-N 1 0 316.405 2.123 20 10 DECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571772 689861749 /nfs/dbraw/zinc/86/17/49/689861749.db2.gz QAQNZLHUXRBXBH-RYBZSIHZSA-N 1 0 301.346 2.040 20 10 DECDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876632137 689883170 /nfs/dbraw/zinc/88/31/70/689883170.db2.gz HOEHKWYUXSETPH-GOEBONIOSA-N 1 0 320.433 2.064 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)ccc21 ZINC000876739540 689922719 /nfs/dbraw/zinc/92/27/19/689922719.db2.gz JOQXFDJHMQTGQJ-ZBFHGGJFSA-N 1 0 301.434 2.059 20 10 DECDRO COC(=O)CC[N@@H+](Cc1ccc(C)cc1O)C[C@H]1CCCO1 ZINC000876744099 689924454 /nfs/dbraw/zinc/92/44/54/689924454.db2.gz OOEJZGVGQHDERY-OAHLLOKOSA-N 1 0 307.390 2.245 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cc(OC)ccc2O)[nH]c1C ZINC000877035151 690003563 /nfs/dbraw/zinc/00/35/63/690003563.db2.gz CWDHAWJWGHFBED-UHFFFAOYSA-N 1 0 304.346 2.114 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC[C@H](O)C3)cc2)CC1 ZINC000877058207 690009630 /nfs/dbraw/zinc/00/96/30/690009630.db2.gz GJAMQFNHKXCCRT-LPHOPBHVSA-N 1 0 318.461 2.288 20 10 DECDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877064998 690011452 /nfs/dbraw/zinc/01/14/52/690011452.db2.gz XORWFJPOOSOMCT-GOSISDBHSA-N 1 0 306.450 2.144 20 10 DECDRO CC1(CO)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877359632 690088597 /nfs/dbraw/zinc/08/85/97/690088597.db2.gz JLTAERIDHQGPNY-UHFFFAOYSA-N 1 0 318.461 2.242 20 10 DECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCCS(=O)(=O)CC1 ZINC000877478256 690125504 /nfs/dbraw/zinc/12/55/04/690125504.db2.gz LYRWYERNJBJBCZ-OAHLLOKOSA-N 1 0 310.463 2.329 20 10 DECDRO COC(=O)c1[nH]c(C[NH2+]Cc2ccc(OC)cc2O)cc1C ZINC000877493266 690130462 /nfs/dbraw/zinc/13/04/62/690130462.db2.gz JANRUJRWHJTRRA-UHFFFAOYSA-N 1 0 304.346 2.114 20 10 DECDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877501006 690132883 /nfs/dbraw/zinc/13/28/83/690132883.db2.gz KUUIERXYCFVJLA-SFHVURJKSA-N 1 0 321.417 2.492 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000877505813 690134201 /nfs/dbraw/zinc/13/42/01/690134201.db2.gz ZOLDGGWBVGWIHY-RHSMWYFYSA-N 1 0 305.418 2.358 20 10 DECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562017 690152850 /nfs/dbraw/zinc/15/28/50/690152850.db2.gz VGQIXOONOIWPGR-QFBILLFUSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000877569782 690155155 /nfs/dbraw/zinc/15/51/55/690155155.db2.gz ZPEPKFAZZUTJEC-INIZCTEOSA-N 1 0 309.431 2.101 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000877576723 690156911 /nfs/dbraw/zinc/15/69/11/690156911.db2.gz OTLKSWUYIJZKDY-XJKSGUPXSA-N 1 0 301.390 2.444 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)cc2)CC1 ZINC000877637812 690175276 /nfs/dbraw/zinc/17/52/76/690175276.db2.gz MOXSIEGQCHQFCM-DLBZAZTESA-N 1 0 316.445 2.116 20 10 DECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877830581 690244904 /nfs/dbraw/zinc/24/49/04/690244904.db2.gz NXJWRMFTYFESEP-NSHDSACASA-N 1 0 323.389 2.040 20 10 DECDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877834906 690246684 /nfs/dbraw/zinc/24/66/84/690246684.db2.gz ADSGPQRCSOSKHA-HNNXBMFYSA-N 1 0 322.424 2.255 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC000878359891 690387226 /nfs/dbraw/zinc/38/72/26/690387226.db2.gz DBGSHRCRNOUQBE-UONOGXRCSA-N 1 0 323.433 2.498 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CC2)cc1 ZINC001039061745 691006860 /nfs/dbraw/zinc/00/68/60/691006860.db2.gz TYUIBULKOMKCGC-AWEZNQCLSA-N 1 0 315.377 2.063 20 10 DECDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)n1 ZINC000882880309 691377565 /nfs/dbraw/zinc/37/75/65/691377565.db2.gz MATGFZQXCMNFGP-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO CC[NH+](CC)CC[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000883161573 691445024 /nfs/dbraw/zinc/44/50/24/691445024.db2.gz VLGAWAHPHSODSK-HNNXBMFYSA-N 1 0 311.445 2.074 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883275861 691470483 /nfs/dbraw/zinc/47/04/83/691470483.db2.gz BQPMIHNJDSZQSF-TZMCWYRMSA-N 1 0 305.374 2.496 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)cc1F ZINC000886037604 691989999 /nfs/dbraw/zinc/98/99/99/691989999.db2.gz MEVWZZBBBVGBAW-RDTXWAMCSA-N 1 0 320.408 2.383 20 10 DECDRO C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886500207 692094338 /nfs/dbraw/zinc/09/43/38/692094338.db2.gz KWOPMQKZPYIIIL-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665154 692756791 /nfs/dbraw/zinc/75/67/91/692756791.db2.gz HFVOBZBBZDKTQK-GASCZTMLSA-N 1 0 316.449 2.131 20 10 DECDRO CCC(C)(C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666677 692757073 /nfs/dbraw/zinc/75/70/73/692757073.db2.gz OSAABDPQDXFWTA-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO COC(=O)c1c(CN[C@@H](C)C[NH+](C)C)c2cc(F)ccc2n1C ZINC000894763044 692987078 /nfs/dbraw/zinc/98/70/78/692987078.db2.gz XCOBWNMDTXRBMN-NSHDSACASA-N 1 0 321.396 2.144 20 10 DECDRO Oc1cccc2c1[C@H](N[C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925796124 693343718 /nfs/dbraw/zinc/34/37/18/693343718.db2.gz KSPOMKKTLAEJSC-HUUCEWRRSA-N 1 0 302.418 2.128 20 10 DECDRO CCON1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000926679340 693490959 /nfs/dbraw/zinc/49/09/59/693490959.db2.gz CJBSHPPDCOSZPT-INIZCTEOSA-N 1 0 319.449 2.279 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC001335697091 1150504061 /nfs/dbraw/zinc/50/40/61/1150504061.db2.gz UTTGVJJLMZRZBY-OLZOCXBDSA-N 1 0 321.421 2.293 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])C2CCCCC2)c1 ZINC001346056200 1150937462 /nfs/dbraw/zinc/93/74/62/1150937462.db2.gz KOOXHPGZXPQPCP-MEDUHNTESA-N 1 0 306.406 2.486 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001353515558 1151835569 /nfs/dbraw/zinc/83/55/69/1151835569.db2.gz ZVDLXJPCPUHEIZ-HYVNUMGLSA-N 1 0 316.449 2.177 20 10 DECDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001442072699 1182308439 /nfs/dbraw/zinc/30/84/39/1182308439.db2.gz UJIVSYLXDCWWTM-UHFFFAOYSA-N 1 0 320.433 2.221 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC001442318289 1182418090 /nfs/dbraw/zinc/41/80/90/1182418090.db2.gz RGMOQNXDSSWJHB-UHFFFAOYSA-N 1 0 318.417 2.117 20 10 DECDRO CC(C)C[NH+]1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC001445935534 1184137905 /nfs/dbraw/zinc/13/79/05/1184137905.db2.gz CRQLBDNQBWXXOV-UHFFFAOYSA-N 1 0 320.433 2.125 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)[C@H]2C1 ZINC001347235572 1151050914 /nfs/dbraw/zinc/05/09/14/1151050914.db2.gz ZPONGTCIHBCHLD-LEWSCRJBSA-N 1 0 323.824 2.185 20 10 DECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331955285 1149800160 /nfs/dbraw/zinc/80/01/60/1149800160.db2.gz UHKIIRDGJYXUDC-INIZCTEOSA-N 1 0 323.456 2.218 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC001233111829 782215717 /nfs/dbraw/zinc/21/57/17/782215717.db2.gz ZXZLRXSBBGLCIU-UHFFFAOYSA-N 1 0 316.195 2.458 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC23CC3)cc1C ZINC001167299494 776865305 /nfs/dbraw/zinc/86/53/05/776865305.db2.gz FIWAHFJCYFTNBK-OAHLLOKOSA-N 1 0 302.418 2.400 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(F)ccc1O ZINC000694605540 777893775 /nfs/dbraw/zinc/89/37/75/777893775.db2.gz YMJVQGHHDSAHKD-ZYHUDNBSSA-N 1 0 301.383 2.149 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC2(OC)CCC2)cc1C ZINC001126328295 778731681 /nfs/dbraw/zinc/73/16/81/778731681.db2.gz DQJCAXVUBXTYKW-UHFFFAOYSA-N 1 0 320.433 2.169 20 10 DECDRO CN1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H](c2ccccc2)C1 ZINC001144499854 790934693 /nfs/dbraw/zinc/93/46/93/790934693.db2.gz MHEPVITUKWVUJN-INIZCTEOSA-N 1 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CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001179690695 795154555 /nfs/dbraw/zinc/15/45/55/795154555.db2.gz VUPZYTIWEIRLKP-HSRYQADGSA-N 1 0 318.417 2.346 20 10 DECDRO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440727 795301699 /nfs/dbraw/zinc/30/16/99/795301699.db2.gz UCPQZDRAOZWIQQ-HNNXBMFYSA-N 1 0 303.406 2.217 20 10 DECDRO Cc1cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)cc1Br ZINC001206454400 795482319 /nfs/dbraw/zinc/48/23/19/795482319.db2.gz DPVXIINBNYKURL-MNOVXSKESA-N 1 0 317.202 2.334 20 10 DECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N)cc1 ZINC001120677694 795512329 /nfs/dbraw/zinc/51/23/29/795512329.db2.gz XCCLBRGZKXFUPO-INIZCTEOSA-N 1 0 304.438 2.285 20 10 DECDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC001121901198 795701672 /nfs/dbraw/zinc/70/16/72/795701672.db2.gz LTOJUMZDCBBCMA-ZDUSSCGKSA-N 1 0 312.417 2.148 20 10 DECDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001121909457 795703322 /nfs/dbraw/zinc/70/33/22/795703322.db2.gz RQDZFRBVUKRBEQ-GDBMZVCRSA-N 1 0 301.434 2.291 20 10 DECDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)C1=CC(=O)CS1 ZINC001124123011 796037910 /nfs/dbraw/zinc/03/79/10/796037910.db2.gz ZYKJKASDJPBONW-UHFFFAOYSA-N 1 0 303.387 2.248 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC2CCOCC2)cc1C ZINC001125065965 796101461 /nfs/dbraw/zinc/10/14/61/796101461.db2.gz GDBGFPLPTGYBCX-UHFFFAOYSA-N 1 0 320.433 2.026 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC(C)(C(N)=O)CC3)ccc21 ZINC001138357110 796204373 /nfs/dbraw/zinc/20/43/73/796204373.db2.gz CSRHHGSRYPOFLK-UHFFFAOYSA-N 1 0 301.434 2.156 20 10 DECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCN4C)C[C@@H]21 ZINC001138356650 796204569 /nfs/dbraw/zinc/20/45/69/796204569.db2.gz ULSOUKYRKLXJJB-VQFNDLOPSA-N 1 0 314.429 2.310 20 10 DECDRO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138498779 796226773 /nfs/dbraw/zinc/22/67/73/796226773.db2.gz FWNWTOPYCPLMEW-GOSISDBHSA-N 1 0 304.434 2.380 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@]1(C)O ZINC001138496479 796227165 /nfs/dbraw/zinc/22/71/65/796227165.db2.gz QWFUWMMXZRWUMS-MAUKXSAKSA-N 1 0 304.434 2.116 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCCC12COC2 ZINC001138497656 796227712 /nfs/dbraw/zinc/22/77/12/796227712.db2.gz MRSGAIDPLIZDJI-UHFFFAOYSA-N 1 0 302.418 2.278 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001139132723 796330691 /nfs/dbraw/zinc/33/06/91/796330691.db2.gz ZMJDEPSNEKBZKU-NWDGAFQWSA-N 1 0 303.358 2.152 20 10 DECDRO COc1cc(CN2CCCC[C@H]2C(C)=O)cc(C[NH+](C)C)c1O ZINC001139259359 796351300 /nfs/dbraw/zinc/35/13/00/796351300.db2.gz SPRZYOCSHNYSAB-INIZCTEOSA-N 1 0 320.433 2.406 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3Cc4ccncc4C3)cc2)CC1 ZINC001139409946 796372534 /nfs/dbraw/zinc/37/25/34/796372534.db2.gz WOXWZUVXXNIDGV-UHFFFAOYSA-N 1 0 308.429 2.349 20 10 DECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139412790 796372765 /nfs/dbraw/zinc/37/27/65/796372765.db2.gz NZASLMJZACNDCO-OALUTQOASA-N 1 0 315.461 2.192 20 10 DECDRO Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140056364 796470737 /nfs/dbraw/zinc/47/07/37/796470737.db2.gz SUMOYRFPAWVSBR-AWEZNQCLSA-N 1 0 303.337 2.283 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC(N3CCOCC3)CC2)c1O ZINC001140178176 796486662 /nfs/dbraw/zinc/48/66/62/796486662.db2.gz BQUYIKPBASBZKX-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO COC[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2ncn(C)c21 ZINC001140181876 796487260 /nfs/dbraw/zinc/48/72/60/796487260.db2.gz YNIMOJWAUCWMMR-CQSZACIVSA-N 1 0 315.417 2.488 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCCO4)C3)cc2)CC1 ZINC001140282482 796501897 /nfs/dbraw/zinc/50/18/97/796501897.db2.gz AJVKCZUIBDIBND-IBGZPJMESA-N 1 0 316.445 2.403 20 10 DECDRO Oc1cccc(Cl)c1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001140345341 796511448 /nfs/dbraw/zinc/51/14/48/796511448.db2.gz RXGHTHCIPYAUKY-OKILXGFUSA-N 1 0 322.836 2.341 20 10 DECDRO C[NH+](C)CCCN1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140465353 796526120 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Cc1c(O)ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c1O ZINC001140749769 796567767 /nfs/dbraw/zinc/56/77/67/796567767.db2.gz MGHKZTRILWQWOG-AWEZNQCLSA-N 1 0 315.373 2.240 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCC2OCCO2)c(O)c1 ZINC001140855699 796583901 /nfs/dbraw/zinc/58/39/01/796583901.db2.gz IXKYHSMBIXDKQT-UHFFFAOYSA-N 1 0 308.422 2.433 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)n1 ZINC001140957634 796607806 /nfs/dbraw/zinc/60/78/06/796607806.db2.gz GIFWNJHOXICLEW-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COC(=O)CC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141142627 796638482 /nfs/dbraw/zinc/63/84/82/796638482.db2.gz VEOSBCKHBLGNMX-UHFFFAOYSA-N 1 0 318.417 2.290 20 10 DECDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc2c(c1)OCCN2C ZINC001141145738 796640114 /nfs/dbraw/zinc/64/01/14/796640114.db2.gz HMMSDVIYXIKLGA-JKIFEVAISA-N 1 0 316.401 2.041 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1cc(O)ccc1O ZINC001141159002 796641778 /nfs/dbraw/zinc/64/17/78/796641778.db2.gz VLQHSRIQSWGZLD-UHFFFAOYSA-N 1 0 305.330 2.256 20 10 DECDRO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141163205 796643796 /nfs/dbraw/zinc/64/37/96/796643796.db2.gz UWNKYINDSPOEEJ-OAHLLOKOSA-N 1 0 315.373 2.240 20 10 DECDRO C[NH+]1CC(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)C1 ZINC001142592221 796753052 /nfs/dbraw/zinc/75/30/52/796753052.db2.gz QSTCAKKLTMUZDI-XJLOQFNLSA-N 1 0 310.361 2.167 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2c[nH]cc2C)cc1C ZINC001151008927 796999788 /nfs/dbraw/zinc/99/97/88/796999788.db2.gz GFXXNFRBCBAXRN-UHFFFAOYSA-N 1 0 301.390 2.160 20 10 DECDRO CCC[NH+]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3Cl)C[C@H]2C1 ZINC001193233296 797527702 /nfs/dbraw/zinc/52/77/02/797527702.db2.gz XLOJCRFDYLQAKH-GHMZBOCLSA-N 1 0 324.808 2.165 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(C)no2)cc1C ZINC001154559059 797562354 /nfs/dbraw/zinc/56/23/54/797562354.db2.gz SSXIXJSJZSXMRY-UHFFFAOYSA-N 1 0 317.389 2.210 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1 ZINC001203679080 800105347 /nfs/dbraw/zinc/10/53/47/800105347.db2.gz ZJYNCCYTEXSASI-UHFFFAOYSA-N 1 0 306.406 2.124 20 10 DECDRO COc1ccc(O)c(CN2CCO[C@@H](c3ccncc3)C2)c1 ZINC001203680155 800105515 /nfs/dbraw/zinc/10/55/15/800105515.db2.gz HKIHHTFXEDPDDR-QGZVFWFLSA-N 1 0 300.358 2.369 20 10 DECDRO CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001203878123 800138175 /nfs/dbraw/zinc/13/81/75/800138175.db2.gz BWMZUBGZRWXTCK-IBGZPJMESA-N 1 0 324.380 2.218 20 10 DECDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203882238 800139197 /nfs/dbraw/zinc/13/91/97/800139197.db2.gz AJCRCFGKBROHBU-AWEZNQCLSA-N 1 0 300.358 2.455 20 10 DECDRO CCc1noc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)n1 ZINC001203880546 800139459 /nfs/dbraw/zinc/13/94/59/800139459.db2.gz VJTOSEUYLUJSLI-UHFFFAOYSA-N 1 0 303.362 2.423 20 10 DECDRO Cc1cc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)ncn1 ZINC001204277625 800199308 /nfs/dbraw/zinc/19/93/08/800199308.db2.gz HDXRIWMGCYQKIM-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1 ZINC001205734448 800410281 /nfs/dbraw/zinc/41/02/81/800410281.db2.gz CGVMYFVRASRTHB-OAHLLOKOSA-N 1 0 301.386 2.402 20 10 DECDRO C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1[NH3+] ZINC001205889017 800438880 /nfs/dbraw/zinc/43/88/80/800438880.db2.gz OKRQKCBOABPCSP-DYVFJYSZSA-N 1 0 323.868 2.346 20 10 DECDRO COc1ccc2ccc(O)c(CN3C[C@H]([NH3+])C[C@H](F)C3)c2c1 ZINC001206444230 800533670 /nfs/dbraw/zinc/53/36/70/800533670.db2.gz FZRCWRWYNKYWQS-QWHCGFSZSA-N 1 0 304.365 2.425 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622543 800567480 /nfs/dbraw/zinc/56/74/80/800567480.db2.gz FIBLQMCGSHCWGP-ZDUSSCGKSA-N 1 0 316.401 2.368 20 10 DECDRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000935464928 800669439 /nfs/dbraw/zinc/66/94/39/800669439.db2.gz NQNKYOYSMRCEHZ-CQSZACIVSA-N 1 0 319.449 2.041 20 10 DECDRO Cc1nccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC001207166070 800702963 /nfs/dbraw/zinc/70/29/63/800702963.db2.gz XBJRHASSFUXJQE-UHFFFAOYSA-N 1 0 312.417 2.254 20 10 DECDRO C[NH2+]Cc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001211131307 801515589 /nfs/dbraw/zinc/51/55/89/801515589.db2.gz SEMPROMWQSPIKC-UHFFFAOYSA-N 1 0 305.403 2.086 20 10 DECDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001211362997 801554325 /nfs/dbraw/zinc/55/43/25/801554325.db2.gz ZFORBVCFPRMLAD-HNNXBMFYSA-N 1 0 320.433 2.027 20 10 DECDRO C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231454169 801669024 /nfs/dbraw/zinc/66/90/24/801669024.db2.gz OORISPOHAALFET-UHFFFAOYSA-N 1 0 318.417 2.398 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589400 801690537 /nfs/dbraw/zinc/69/05/37/801690537.db2.gz HOJKDYPGWNTYOS-UHFFFAOYSA-N 1 0 315.369 2.045 20 10 DECDRO COCC[N@H+](Cc1cccc(C)c1O)C1CCN(C(C)=O)CC1 ZINC001231593321 801691564 /nfs/dbraw/zinc/69/15/64/801691564.db2.gz PNAVOBOBXAHLLD-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO COc1cc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c(O)cc1O ZINC001231634463 801699897 /nfs/dbraw/zinc/69/98/97/801699897.db2.gz JKRASPBIOQODQM-UHFFFAOYSA-N 1 0 318.417 2.024 20 10 DECDRO CCCCC[NH+]1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635735 801700616 /nfs/dbraw/zinc/70/06/16/801700616.db2.gz JBPOFUJSVONNMQ-UHFFFAOYSA-N 1 0 308.422 2.414 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(O)cc1O ZINC001231636104 801700682 /nfs/dbraw/zinc/70/06/82/801700682.db2.gz JXAXBDCHJXRWDK-ZDUSSCGKSA-N 1 0 300.358 2.491 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)c1 ZINC001231846158 801736099 /nfs/dbraw/zinc/73/60/99/801736099.db2.gz CFHJLUPPVZENEJ-UHFFFAOYSA-N 1 0 304.390 2.474 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001231852987 801737185 /nfs/dbraw/zinc/73/71/85/801737185.db2.gz CWBLVCBCLXZXEQ-UHFFFAOYSA-N 1 0 321.440 2.379 20 10 DECDRO Cc1cc(O)c(C[N@@H+](C)C2CCS(=O)(=O)CC2)cc1Cl ZINC001231869925 801741653 /nfs/dbraw/zinc/74/16/53/801741653.db2.gz APVFIQWFOIJVSU-UHFFFAOYSA-N 1 0 317.838 2.363 20 10 DECDRO CN(C1C[NH+](Cc2ccc3ccccc3c2O)C1)[C@H]1CCOC1 ZINC001231880817 801743675 /nfs/dbraw/zinc/74/36/75/801743675.db2.gz LBQWYHBXOHBZDO-INIZCTEOSA-N 1 0 312.413 2.450 20 10 DECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195828 801815192 /nfs/dbraw/zinc/81/51/92/801815192.db2.gz ZBKUTBMVSRVLOD-HIFRSBDPSA-N 1 0 324.852 2.379 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc1Cl ZINC001232264595 801833807 /nfs/dbraw/zinc/83/38/07/801833807.db2.gz JOBPCCYGRJIPMO-LLVKDONJSA-N 1 0 321.764 2.195 20 10 DECDRO COCc1noc2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232838964 801968967 /nfs/dbraw/zinc/96/89/67/801968967.db2.gz ORPXPRSHENGJLS-UHFFFAOYSA-N 1 0 317.389 2.151 20 10 DECDRO CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(N(C)C)cc2O)C(C)C)C1 ZINC001232840793 801969573 /nfs/dbraw/zinc/96/95/73/801969573.db2.gz JBGCFDXVULQOFW-KRWDZBQOSA-N 1 0 319.449 2.289 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840564 801969941 /nfs/dbraw/zinc/96/99/41/801969941.db2.gz ZPJSLFOIJHNJJD-KRWDZBQOSA-N 1 0 306.406 2.233 20 10 DECDRO COC(=O)C1(C)CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839098 801970041 /nfs/dbraw/zinc/97/00/41/801970041.db2.gz LWALGWBGJNPNDW-UHFFFAOYSA-N 1 0 306.406 2.233 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1 ZINC001233284000 802063940 /nfs/dbraw/zinc/06/39/40/802063940.db2.gz DLQOSDQHHARNFC-AEFFLSMTSA-N 1 0 307.434 2.255 20 10 DECDRO CC[N@H+]1C[C@H]2CN(Cc3cc(Cl)cc(OC)c3O)C[C@H]2C1 ZINC001233291402 802067094 /nfs/dbraw/zinc/06/70/94/802067094.db2.gz ZRLXQPLCQYPJJC-BETUJISGSA-N 1 0 310.825 2.438 20 10 DECDRO Oc1c(CN2CCO[C@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416409 802111300 /nfs/dbraw/zinc/11/13/00/802111300.db2.gz HABLOVALGOVSDP-CQSZACIVSA-N 1 0 317.307 2.402 20 10 DECDRO C[C@H]1CN(C)C(=O)CN1Cc1ccc(C(F)(F)F)cc1O ZINC001233455329 802121739 /nfs/dbraw/zinc/12/17/39/802121739.db2.gz GDJZSNYOFIIZGI-VIFPVBQESA-N 1 0 302.296 2.074 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)cc1O ZINC001233484896 802126652 /nfs/dbraw/zinc/12/66/52/802126652.db2.gz BLQANROMBPFPRZ-AWEZNQCLSA-N 1 0 316.357 2.242 20 10 DECDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485230 802127279 /nfs/dbraw/zinc/12/72/79/802127279.db2.gz NOEMFOMEDIZYJC-UHFFFAOYSA-N 1 0 323.389 2.357 20 10 DECDRO O=C1c2cccc(O[C@H]3CCC[NH2+]C3)c2C(=O)c2cccc(O)c21 ZINC001218284227 802163471 /nfs/dbraw/zinc/16/34/71/802163471.db2.gz SFZYJDCADBQZIQ-NSHDSACASA-N 1 0 323.348 2.298 20 10 DECDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C=CC[NH2+]C3)cccc21 ZINC001218330181 802168863 /nfs/dbraw/zinc/16/88/63/802168863.db2.gz CHMXYYGXEIYHLH-NSHDSACASA-N 1 0 321.332 2.074 20 10 DECDRO CC(C)CCOC(=O)[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218357103 802171116 /nfs/dbraw/zinc/17/11/16/802171116.db2.gz UVIKCDBLBZRNPG-HNNXBMFYSA-N 1 0 320.433 2.453 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948373 802249641 /nfs/dbraw/zinc/24/96/41/802249641.db2.gz GHZLBYMNZDJUMZ-LLVKDONJSA-N 1 0 303.362 2.293 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001220152195 802417557 /nfs/dbraw/zinc/41/75/57/802417557.db2.gz YGADCYUCBPGQQX-OKILXGFUSA-N 1 0 313.401 2.267 20 10 DECDRO [O-]c1c(Br)cccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000316331707 802508277 /nfs/dbraw/zinc/50/82/77/802508277.db2.gz GOYDCNZQGZTXQM-GFCCVEGCSA-N 1 0 300.196 2.405 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c(O)c1OC ZINC001334288078 1150258709 /nfs/dbraw/zinc/25/87/09/1150258709.db2.gz VTFUHBFSNVDHNS-QGZVFWFLSA-N 1 0 309.406 2.250 20 10 DECDRO Nc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC001345159482 1150869710 /nfs/dbraw/zinc/86/97/10/1150869710.db2.gz HQRQFCMJNSABHZ-UHFFFAOYSA-N 1 0 315.339 2.159 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC001345393095 1150886899 /nfs/dbraw/zinc/88/68/99/1150886899.db2.gz RXSZRXQCWWNCBU-CHWSQXEVSA-N 1 0 321.421 2.245 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCCCS(C)(=O)=O)cc1Cl ZINC001350619519 1151375255 /nfs/dbraw/zinc/37/52/55/1151375255.db2.gz GHLMRXSQISOYFM-UHFFFAOYSA-N 1 0 305.827 2.268 20 10 DECDRO Cn1c(C(=O)NCc2ccc(N)cc2)ccc1[C@H]1CCCC[NH2+]1 ZINC001524018338 1069793665 /nfs/dbraw/zinc/79/36/65/1069793665.db2.gz KCENEHXCBOEUDX-OAHLLOKOSA-N 1 0 312.417 2.352 20 10 DECDRO C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)C[NH+]1CCCC1 ZINC001604185255 1070269900 /nfs/dbraw/zinc/26/99/00/1070269900.db2.gz MBYTZTSVLSILHS-OLZOCXBDSA-N 1 0 306.406 2.473 20 10 DECDRO Cc1ccc(C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)c(O)c1 ZINC001605847266 1070944455 /nfs/dbraw/zinc/94/44/55/1070944455.db2.gz CPPHUZONDOENLX-UHFFFAOYSA-N 1 0 307.357 2.397 20 10 DECDRO CCON(CC)C(=O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001461643152 1058689648 /nfs/dbraw/zinc/68/96/48/1058689648.db2.gz VQFJYCXAKRXJHV-UHFFFAOYSA-N 1 0 303.406 2.376 20 10 DECDRO CCOCc1cc(C[NH2+]C2CC(OC)(OC)C2)ccc1OC ZINC001461765146 1058705717 /nfs/dbraw/zinc/70/57/17/1058705717.db2.gz BWKDHDGBAUMUHP-UHFFFAOYSA-N 1 0 309.406 2.473 20 10 DECDRO C[C@H](Cc1ccno1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001462458140 1058830683 /nfs/dbraw/zinc/83/06/83/1058830683.db2.gz MCNIRSLRGQYVKL-CQSZACIVSA-N 1 0 315.417 2.357 20 10 DECDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC001462614698 1058863330 /nfs/dbraw/zinc/86/33/30/1058863330.db2.gz RJHNCRAYJRGRIG-HNNXBMFYSA-N 1 0 310.825 2.389 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC[C@H](C[NH+](C)C)C2)cc1OC ZINC001472681798 1060565905 /nfs/dbraw/zinc/56/59/05/1060565905.db2.gz QJPPXLTZEXIICS-GFCCVEGCSA-N 1 0 323.393 2.390 20 10 DECDRO CCOCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505549806 1060699901 /nfs/dbraw/zinc/69/99/01/1060699901.db2.gz BSMWEWSKSPNFOJ-UONOGXRCSA-N 1 0 308.422 2.023 20 10 DECDRO CCOCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505549804 1060700668 /nfs/dbraw/zinc/70/06/68/1060700668.db2.gz BSMWEWSKSPNFOJ-KBPBESRZSA-N 1 0 308.422 2.023 20 10 DECDRO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1O ZINC001473725044 1060715640 /nfs/dbraw/zinc/71/56/40/1060715640.db2.gz ZFSIDMOAJGYWBP-LBPRGKRZSA-N 1 0 309.369 2.490 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1 ZINC001474030257 1060800414 /nfs/dbraw/zinc/80/04/14/1060800414.db2.gz YJTPPLMYGPAWQP-KRWDZBQOSA-N 1 0 302.422 2.090 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@@H](C)[S@](C)=O)ccc1OC ZINC001474043831 1060801888 /nfs/dbraw/zinc/80/18/88/1060801888.db2.gz VJSXPUZJFKPYDS-ASSNKEHSSA-N 1 0 313.463 2.478 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]Cc1c(C)c2ccccc2n1C ZINC001474180064 1060828926 /nfs/dbraw/zinc/82/89/26/1060828926.db2.gz KDCKQRLAURJJEB-UHFFFAOYSA-N 1 0 308.447 2.401 20 10 DECDRO CC[C@@H](OC)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507055296 1062748563 /nfs/dbraw/zinc/74/85/63/1062748563.db2.gz FNJIYDQACMBBIU-GOEBONIOSA-N 1 0 322.449 2.365 20 10 DECDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001616756492 1078134808 /nfs/dbraw/zinc/13/48/08/1078134808.db2.gz DVIBBVCIQONDOK-UHFFFAOYSA-N 1 0 314.385 2.383 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2coc(C)n2)cc1C ZINC001569053824 1065260496 /nfs/dbraw/zinc/26/04/96/1065260496.db2.gz QBNWKVKWKBWMCZ-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570007676 1065876664 /nfs/dbraw/zinc/87/66/64/1065876664.db2.gz RQBOBZHPBGBCSY-NSHDSACASA-N 1 0 305.382 2.308 20 10 DECDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001497650166 1066210218 /nfs/dbraw/zinc/21/02/18/1066210218.db2.gz JTMPAMZOYXQTSQ-SCVPAZLYSA-N 1 0 302.418 2.422 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881360 1066709881 /nfs/dbraw/zinc/70/98/81/1066709881.db2.gz KRIWUHYGNXPLIV-PMPSAXMXSA-N 1 0 317.477 2.218 20 10 DECDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001578241009 1067028662 /nfs/dbraw/zinc/02/86/62/1067028662.db2.gz SKFOJUIJBKAPJE-ZJUUUORDSA-N 1 0 306.387 2.183 20 10 DECDRO COc1cc(C)cc(CN2CC[NH2+]C[C@H]2c2ccncc2)c1O ZINC001579144571 1067241360 /nfs/dbraw/zinc/24/13/60/1067241360.db2.gz GJHJEEXJJMFSSR-INIZCTEOSA-N 1 0 313.401 2.251 20 10 DECDRO COc1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2C)c1O ZINC001579277897 1067286568 /nfs/dbraw/zinc/28/65/68/1067286568.db2.gz QIPAKSZHIOGCES-OAHLLOKOSA-N 1 0 300.358 2.025 20 10 DECDRO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1CC[NH3+] ZINC001579438034 1067340141 /nfs/dbraw/zinc/34/01/41/1067340141.db2.gz UCHNLDUNWZKHOY-NXEZZACHSA-N 1 0 320.414 2.369 20 10 DECDRO Cc1ccc(O)c(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC001579723845 1067410997 /nfs/dbraw/zinc/41/09/97/1067410997.db2.gz NFPBBMSNWYZSMJ-HFZWIWRYSA-N 1 0 302.418 2.470 20 10 DECDRO CC(C)C[NH+]1CCC(C(=O)NCc2c(O)cccc2O)CC1 ZINC001639292582 1078605841 /nfs/dbraw/zinc/60/58/41/1078605841.db2.gz IWMJOVXMSWYXFH-UHFFFAOYSA-N 1 0 306.406 2.082 20 10 DECDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001641766256 1078727821 /nfs/dbraw/zinc/72/78/21/1078727821.db2.gz YRNRIGPGEMFZCO-UHFFFAOYSA-N 1 0 320.433 2.267 20 10 DECDRO O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1Cc2cccc(O)c2C1 ZINC001641810194 1078729538 /nfs/dbraw/zinc/72/95/38/1078729538.db2.gz JZWWVVAPHKUCCG-AWEZNQCLSA-N 1 0 309.369 2.156 20 10 DECDRO CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](CC)C[NH2+]1 ZINC001573717702 1069077762 /nfs/dbraw/zinc/07/77/62/1069077762.db2.gz HAPJPLOAAQVHHJ-APMKWMSLSA-N 1 0 304.390 2.100 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)c(O)c1 ZINC001521687200 1069262793 /nfs/dbraw/zinc/26/27/93/1069262793.db2.gz SBBYDCMRPHNSHJ-XGWLTEMNSA-N 1 0 318.417 2.185 20 10 DECDRO CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272445729 1078879622 /nfs/dbraw/zinc/87/96/22/1078879622.db2.gz KUOPNNAJYVQLDV-IAGOWNOFSA-N 1 0 301.434 2.338 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235989449 1079067962 /nfs/dbraw/zinc/06/79/62/1079067962.db2.gz KRWACVCSGFLGKT-SMDDNHRTSA-N 1 0 311.223 2.386 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC001587532169 1076421469 /nfs/dbraw/zinc/42/14/69/1076421469.db2.gz RQOAEXZIBXVMTO-UHFFFAOYSA-N 1 0 318.417 2.164 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)CC[S@](C)=O)ccc1OC ZINC001620854640 1076481861 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COc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC001656443491 1080092246 /nfs/dbraw/zinc/09/22/46/1080092246.db2.gz JSDNEJZZVBACKJ-LBPRGKRZSA-N 1 0 316.323 2.256 20 10 DECDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001656587926 1080104372 /nfs/dbraw/zinc/10/43/72/1080104372.db2.gz ZSRFEBJCWWDDBS-OAHLLOKOSA-N 1 0 310.413 2.303 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CN1CCOCC1 ZINC001656592693 1080105330 /nfs/dbraw/zinc/10/53/30/1080105330.db2.gz ZQGRXPJCZNCHNT-QGZVFWFLSA-N 1 0 317.477 2.345 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC001657314641 1080170196 /nfs/dbraw/zinc/17/01/96/1080170196.db2.gz YBZPDSBRBVFTCK-WQVCFCJDSA-N 1 0 300.402 2.111 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC001658123372 1080197611 /nfs/dbraw/zinc/19/76/11/1080197611.db2.gz URUULCFCRWUPJI-GDBMZVCRSA-N 1 0 302.418 2.364 20 10 DECDRO Cc1cn(C)nc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001659365502 1080237726 /nfs/dbraw/zinc/23/77/26/1080237726.db2.gz JMOXVERMCXUAFU-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001659655500 1080246744 /nfs/dbraw/zinc/24/67/44/1080246744.db2.gz YEONHEYDMRCSRK-AWEZNQCLSA-N 1 0 306.406 2.057 20 10 DECDRO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCC1 ZINC001663342634 1080733354 /nfs/dbraw/zinc/73/33/54/1080733354.db2.gz QOJWZYBSJRTXGF-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CCCO2)cc1C ZINC001663829491 1080822204 /nfs/dbraw/zinc/82/22/04/1080822204.db2.gz GYUPTVGNWWRTCI-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001664827597 1080967351 /nfs/dbraw/zinc/96/73/51/1080967351.db2.gz WTJDRHTZHQERNX-UHFFFAOYSA-N 1 0 312.797 2.277 20 10 DECDRO CCCN1C[C@H](C[NH2+]Cc2c(C)cc(OC)cc2O)CC1=O ZINC001665031849 1080984677 /nfs/dbraw/zinc/98/46/77/1080984677.db2.gz JKKBFFGMGQDUPP-ZDUSSCGKSA-N 1 0 306.406 2.057 20 10 DECDRO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001665577194 1081041978 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COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)c1O ZINC001277451513 1083978403 /nfs/dbraw/zinc/97/84/03/1083978403.db2.gz DWHGIBZIEGRAJZ-ACJLOTCBSA-N 1 0 318.417 2.280 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(Cl)c1 ZINC001277550936 1084031904 /nfs/dbraw/zinc/03/19/04/1084031904.db2.gz HEBJMCBLPBQZNY-YWVIFJGQSA-N 1 0 321.852 2.349 20 10 DECDRO Cc1cc(Br)cc(CN2CCC[C@H]3[NH2+]C[C@@H]32)c1O ZINC001235302734 1084379777 /nfs/dbraw/zinc/37/97/77/1084379777.db2.gz JDIQAZTVQDBIOO-OLZOCXBDSA-N 1 0 311.223 2.399 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(O)cccc1OC(F)(F)F ZINC001235450240 1084433777 /nfs/dbraw/zinc/43/37/77/1084433777.db2.gz NVKCXAOVUZAXDK-VHSXEESVSA-N 1 0 304.312 2.473 20 10 DECDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001235781598 1084528037 /nfs/dbraw/zinc/52/80/37/1084528037.db2.gz WBVNCJXZDKVGGB-HIFRSBDPSA-N 1 0 320.433 2.012 20 10 DECDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C3CC3)C2)cc1C ZINC000961462429 1085742501 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DECDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC001274023473 1093769805 /nfs/dbraw/zinc/76/98/05/1093769805.db2.gz WUSOSJRMYSJSFX-LJQANCHMSA-N 1 0 313.445 2.339 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001274099915 1093797641 /nfs/dbraw/zinc/79/76/41/1093797641.db2.gz RRDFNXGGMCQEBO-AWEZNQCLSA-N 1 0 306.381 2.188 20 10 DECDRO COCCN(Cc1cc(F)c(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236328761 1138352796 /nfs/dbraw/zinc/35/27/96/1138352796.db2.gz ISVPTZWVJXWYJE-GFCCVEGCSA-N 1 0 316.804 2.385 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1OC ZINC001236750026 1138408040 /nfs/dbraw/zinc/40/80/40/1138408040.db2.gz DEOYTSKNQWEQPB-CORIIIEPSA-N 1 0 307.390 2.409 20 10 DECDRO CCCC[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236755483 1138409466 /nfs/dbraw/zinc/40/94/66/1138409466.db2.gz FCFKLZGIEDNKDL-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([N@H+](C)C3CC3)C2)cc1OC ZINC001236757250 1138412489 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CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001237048823 1138490015 /nfs/dbraw/zinc/49/00/15/1138490015.db2.gz WWMNAGKVAGLKMX-HNNXBMFYSA-N 1 0 315.373 2.234 20 10 DECDRO CC[NH+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051563 1138491056 /nfs/dbraw/zinc/49/10/56/1138491056.db2.gz OFZSKTSNZCEARR-UHFFFAOYSA-N 1 0 318.339 2.471 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@@H]1O ZINC001237118386 1138507132 /nfs/dbraw/zinc/50/71/32/1138507132.db2.gz WIJPKGVEMPUPJC-SKDRFNHKSA-N 1 0 305.296 2.494 20 10 DECDRO O=S1(=O)CCN(c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC001237202269 1138529545 /nfs/dbraw/zinc/52/95/45/1138529545.db2.gz DYNAJLDSFDWWTP-UHFFFAOYSA-N 1 0 322.474 2.297 20 10 DECDRO C[C@@H]([NH3+])CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237205004 1138533610 /nfs/dbraw/zinc/53/36/10/1138533610.db2.gz JXWDGJMKSUOQRP-LLVKDONJSA-N 1 0 303.328 2.054 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)cc1Br ZINC001237678433 1138751706 /nfs/dbraw/zinc/75/17/06/1138751706.db2.gz YZWPYVRHTADOHG-ZDUSSCGKSA-N 1 0 300.196 2.420 20 10 DECDRO CC[N@H+](CCn1cccn1)Cc1cc(OC)cc(OC)c1O ZINC001237678649 1138752513 /nfs/dbraw/zinc/75/25/13/1138752513.db2.gz QIJZPCHBSPTPIF-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c(OC)c1 ZINC001237679904 1138756986 /nfs/dbraw/zinc/75/69/86/1138756986.db2.gz GFBFBEWYNFQYRI-KRWDZBQOSA-N 1 0 321.373 2.081 20 10 DECDRO COc1cc(CN2CC[N@H+](C)CC23CCCC3)c(O)c(OC)c1 ZINC001237686100 1138758993 /nfs/dbraw/zinc/75/89/93/1138758993.db2.gz XLTJOTZAXLFLAF-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO C[N@H+](C1CN(Cc2cc(F)cc(Cl)c2[O-])C1)[C@@H]1CCOC1 ZINC001237799161 1138791007 /nfs/dbraw/zinc/79/10/07/1138791007.db2.gz OQCOIWCPEDJLMS-GFCCVEGCSA-N 1 0 314.788 2.090 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001292715498 1138862279 /nfs/dbraw/zinc/86/22/79/1138862279.db2.gz OAFWGDKLIZXLOI-OAHLLOKOSA-N 1 0 318.417 2.117 20 10 DECDRO c1nn(C2C[NH2+]C2)cc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001241598032 1139832738 /nfs/dbraw/zinc/83/27/38/1139832738.db2.gz NFSIZVWLOSIWTJ-UHFFFAOYSA-N 1 0 318.384 2.179 20 10 DECDRO CCCNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001244917637 1140501020 /nfs/dbraw/zinc/50/10/20/1140501020.db2.gz AORNODNXLCMKQM-UHFFFAOYSA-N 1 0 307.463 2.231 20 10 DECDRO CN(C)c1nccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001320125662 1140825182 /nfs/dbraw/zinc/82/51/82/1140825182.db2.gz UZLOGGIQHIPKKZ-UHFFFAOYSA-N 1 0 311.433 2.433 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC1CS(=O)(=O)C1 ZINC001320750276 1140908961 /nfs/dbraw/zinc/90/89/61/1140908961.db2.gz IWIVITORSLURQA-DGCLKSJQSA-N 1 0 309.431 2.273 20 10 DECDRO COc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(C)c1 ZINC001246935053 1141137419 /nfs/dbraw/zinc/13/74/19/1141137419.db2.gz QBPICLZIQPCLLP-SJPCQFCGSA-N 1 0 315.461 2.409 20 10 DECDRO C[C@H](C[N@H+](C)CCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322306489 1141512754 /nfs/dbraw/zinc/51/27/54/1141512754.db2.gz KZKGFFZFOKQKHN-LLVKDONJSA-N 1 0 323.372 2.259 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2ccncc2)c(O)c1 ZINC001249201433 1141858896 /nfs/dbraw/zinc/85/88/96/1141858896.db2.gz SFRNWFRGUVTFRR-UHFFFAOYSA-N 1 0 314.385 2.177 20 10 DECDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249201056 1141859019 /nfs/dbraw/zinc/85/90/19/1141859019.db2.gz CCKSBSQUHOSHBC-OAHLLOKOSA-N 1 0 307.390 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1 ZINC001249223666 1141862534 /nfs/dbraw/zinc/86/25/34/1141862534.db2.gz LTVVJARLGPUKPJ-IUODEOHRSA-N 1 0 307.390 2.107 20 10 DECDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)nc1 ZINC001249338751 1141876762 /nfs/dbraw/zinc/87/67/62/1141876762.db2.gz AEHOSJHHYRHBPV-GFCCVEGCSA-N 1 0 312.329 2.088 20 10 DECDRO Cc1cc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(O)cc1Br ZINC001250132586 1142087236 /nfs/dbraw/zinc/08/72/36/1142087236.db2.gz AJHOBAFESNBPMA-RYUDHWBXSA-N 1 0 311.223 2.351 20 10 DECDRO C[C@@H]1CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001336948855 1142640270 /nfs/dbraw/zinc/64/02/70/1142640270.db2.gz 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ZINC001253686198 1142891351 /nfs/dbraw/zinc/89/13/51/1142891351.db2.gz BRNDHZRNPYNNDW-MRXNPFEDSA-N 1 0 322.449 2.277 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=CCC[NH2+]CC1 ZINC001341689041 1143665826 /nfs/dbraw/zinc/66/58/26/1143665826.db2.gz NWFPJLUSLPOOGY-UHFFFAOYSA-N 1 0 301.434 2.411 20 10 DECDRO O=C(NCc1c(O)cccc1F)c1cc2c(s1)CC[NH2+]C2 ZINC001342536398 1143822546 /nfs/dbraw/zinc/82/25/46/1143822546.db2.gz OHTVJHBVSDRKFX-UHFFFAOYSA-N 1 0 306.362 2.169 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001353272072 1151820498 /nfs/dbraw/zinc/82/04/98/1151820498.db2.gz GSAQZVAVKXYARE-GDBMZVCRSA-N 1 0 316.449 2.023 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@](O)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001261676977 1144265439 /nfs/dbraw/zinc/26/54/39/1144265439.db2.gz AXGGLTFGCSBVAR-GOSISDBHSA-N 1 0 323.433 2.018 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC001261763697 1144275069 /nfs/dbraw/zinc/27/50/69/1144275069.db2.gz KQIYTXRUKQJKJD-QWHCGFSZSA-N 1 0 306.406 2.358 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(F)F)cc1C ZINC001282085993 1144966692 /nfs/dbraw/zinc/96/66/92/1144966692.db2.gz YEJGSDURSNTECB-MNOVXSKESA-N 1 0 300.349 2.252 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c(O)c1 ZINC001308835302 1147487636 /nfs/dbraw/zinc/48/76/36/1147487636.db2.gz JXJZZEBLMHEGQT-ZDUSSCGKSA-N 1 0 314.389 2.186 20 10 DECDRO CCN1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001308859812 1147488694 /nfs/dbraw/zinc/48/86/94/1147488694.db2.gz NDZVYZCTJKCKPO-HZPDHXFCSA-N 1 0 303.450 2.348 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC2(F)F)cc1C ZINC001317238431 1147681188 /nfs/dbraw/zinc/68/11/88/1147681188.db2.gz ITNIJFUNSMBIQT-DGCLKSJQSA-N 1 0 312.360 2.253 20 10 DECDRO C[C@@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(=O)[O-] ZINC001326323092 1148078163 /nfs/dbraw/zinc/07/81/63/1148078163.db2.gz GAQCHFTUTBFDMG-HNNXBMFYSA-N 1 0 319.449 2.029 20 10 DECDRO O=C1O[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001326848293 1148269332 /nfs/dbraw/zinc/26/93/32/1148269332.db2.gz ZRVJKLAVWQDBOU-QGZVFWFLSA-N 1 0 315.417 2.360 20 10 DECDRO CC[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000184156080 529387158 /nfs/dbraw/zinc/38/71/58/529387158.db2.gz FYCOIWWQEBPJFE-GOSISDBHSA-N 1 0 301.434 2.435 20 10 DECDRO COCCOCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000079433069 185171025 /nfs/dbraw/zinc/17/10/25/185171025.db2.gz ZOFPYKZKDWENFL-INIZCTEOSA-N 1 0 309.406 2.036 20 10 DECDRO CC(C)[N@H+](CC(=O)NCC1CC1)Cc1ccc(N(C)C)cc1 ZINC000298727048 535037161 /nfs/dbraw/zinc/03/71/61/535037161.db2.gz QJTDYMYXIBZHNH-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000043862428 354228188 /nfs/dbraw/zinc/22/81/88/354228188.db2.gz VTRCQNOSDUJSQK-DLBZAZTESA-N 1 0 316.449 2.179 20 10 DECDRO Cn1cc(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000077284167 355196203 /nfs/dbraw/zinc/19/62/03/355196203.db2.gz XICZZFDSHAGUDM-KRWDZBQOSA-N 1 0 315.417 2.349 20 10 DECDRO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885026 355568863 /nfs/dbraw/zinc/56/88/63/355568863.db2.gz XYSGISKTGFRPFW-IAGOWNOFSA-N 1 0 302.422 2.260 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000093870391 355688134 /nfs/dbraw/zinc/68/81/34/355688134.db2.gz WGYJCHBFHALBMF-CYBMUJFWSA-N 1 0 301.390 2.199 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c(O)c1 ZINC000093361095 193237695 /nfs/dbraw/zinc/23/76/95/193237695.db2.gz NYKOCIVIWALPBK-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(n2ccnc2)CC1 ZINC000272534040 130039194 /nfs/dbraw/zinc/03/91/94/130039194.db2.gz XFNMRQVSKUPTPS-DUXPYHPUSA-N 1 0 313.357 2.171 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000273566788 130138108 /nfs/dbraw/zinc/13/81/08/130138108.db2.gz JSBHTBPSOLXWPD-WCBMZHEXSA-N 1 0 313.195 2.036 20 10 DECDRO COc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000274293084 130224697 /nfs/dbraw/zinc/22/46/97/130224697.db2.gz ZOHSFILNYYYIKS-UHFFFAOYSA-N 1 0 305.403 2.035 20 10 DECDRO COCCOCCOCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000274655282 130252224 /nfs/dbraw/zinc/25/22/24/130252224.db2.gz MFAPYKDUWOSYFJ-OAHLLOKOSA-N 1 0 311.422 2.421 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)cc1F ZINC000274759619 130258741 /nfs/dbraw/zinc/25/87/41/130258741.db2.gz OMVLATQSLSSMLO-UHFFFAOYSA-N 1 0 316.442 2.196 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)C1CC1 ZINC000289496030 131390990 /nfs/dbraw/zinc/39/09/90/131390990.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 1 0 306.450 2.449 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000074169687 401732357 /nfs/dbraw/zinc/73/23/57/401732357.db2.gz DUIYPCCRGPEUAW-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000134643052 401909996 /nfs/dbraw/zinc/90/99/96/401909996.db2.gz WKIHSFVDUYNZPJ-IJEWVQPXSA-N 1 0 320.408 2.250 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000093614046 402017871 /nfs/dbraw/zinc/01/78/71/402017871.db2.gz BCDRZFMYILVYSD-HOTGVXAUSA-N 1 0 321.417 2.153 20 10 DECDRO COCC[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000120898482 402006617 /nfs/dbraw/zinc/00/66/17/402006617.db2.gz HEIZFVKEXDVGMG-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000155026427 402241689 /nfs/dbraw/zinc/24/16/89/402241689.db2.gz ZMVALMSIKYBFRR-AWEZNQCLSA-N 1 0 307.413 2.369 20 10 DECDRO Oc1ccccc1C[N@H+](CCC1OCCO1)C[C@@H]1CCCO1 ZINC000124943749 402205030 /nfs/dbraw/zinc/20/50/30/402205030.db2.gz CLVUUYAKXVTPEG-HNNXBMFYSA-N 1 0 307.390 2.136 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1F ZINC000176344777 402301696 /nfs/dbraw/zinc/30/16/96/402301696.db2.gz SCRMUKKDICVPJL-UHFFFAOYSA-N 1 0 324.444 2.375 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915519 402308986 /nfs/dbraw/zinc/30/89/86/402308986.db2.gz LTPPNSAZHZYAJD-PBHICJAKSA-N 1 0 322.449 2.408 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176557169 402319470 /nfs/dbraw/zinc/31/94/70/402319470.db2.gz OCUJWYXOIOTPKR-LSDHHAIUSA-N 1 0 305.422 2.406 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000160115323 402336396 /nfs/dbraw/zinc/33/63/96/402336396.db2.gz QWDNXDYYWURFNN-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000237120999 402396142 /nfs/dbraw/zinc/39/61/42/402396142.db2.gz BMGQEUDXCZBZHR-SFHVURJKSA-N 1 0 309.413 2.083 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000186128330 402403795 /nfs/dbraw/zinc/40/37/95/402403795.db2.gz XOXVXYHKMWXPTM-CQSZACIVSA-N 1 0 320.433 2.379 20 10 DECDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(F)ccc1O ZINC000186859618 402468032 /nfs/dbraw/zinc/46/80/32/402468032.db2.gz LJYMDHCZVFZXHE-NSHDSACASA-N 1 0 303.399 2.397 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000179779531 402600491 /nfs/dbraw/zinc/60/04/91/402600491.db2.gz WCHZWUXRPHHOHJ-HNNXBMFYSA-N 1 0 310.825 2.261 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc1C ZINC000174379002 402738531 /nfs/dbraw/zinc/73/85/31/402738531.db2.gz NZANDOSAEOQJSP-CYBMUJFWSA-N 1 0 302.374 2.397 20 10 DECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000193498066 402771529 /nfs/dbraw/zinc/77/15/29/402771529.db2.gz PVZNSEGHSGKZQG-JOYOIKCWSA-N 1 0 313.781 2.486 20 10 DECDRO COc1c(O)c(C[NH2+][C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278860226 402879416 /nfs/dbraw/zinc/87/94/16/402879416.db2.gz LUTCTUKJOFWDGT-CYBMUJFWSA-N 1 0 318.329 2.132 20 10 DECDRO CCN(C)c1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268801018 403114945 /nfs/dbraw/zinc/11/49/45/403114945.db2.gz BABMFRJQPZFCCN-CRAIPNDOSA-N 1 0 305.466 2.250 20 10 DECDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000269978829 403178000 /nfs/dbraw/zinc/17/80/00/403178000.db2.gz ZTSCGYTYXWJQFK-QZTJIDSGSA-N 1 0 313.397 2.196 20 10 DECDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000293022973 403386188 /nfs/dbraw/zinc/38/61/88/403386188.db2.gz PBHDBQSLVKGICY-CQSZACIVSA-N 1 0 307.390 2.399 20 10 DECDRO O=C1NCCC[N@@H+](Cc2ccccc2O)[C@@H]1Cc1ccccc1 ZINC000293687323 403538319 /nfs/dbraw/zinc/53/83/19/403538319.db2.gz QGLAUCOLGNYLSE-QGZVFWFLSA-N 1 0 310.397 2.325 20 10 DECDRO COCC[N@H+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293821078 403572328 /nfs/dbraw/zinc/57/23/28/403572328.db2.gz DGKWFZRBFZTGGR-UHFFFAOYSA-N 1 0 304.793 2.243 20 10 DECDRO CCc1nnc(CNCc2cc(Br)ccc2O)[nH]1 ZINC000294661990 403725259 /nfs/dbraw/zinc/72/52/59/403725259.db2.gz ALOCNPCTRVOICG-UHFFFAOYSA-N 1 0 311.183 2.125 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)c1O ZINC000527799165 406754380 /nfs/dbraw/zinc/75/43/80/406754380.db2.gz JINLXRPREIUINV-OAHLLOKOSA-N 1 0 312.369 2.444 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000246465683 225227766 /nfs/dbraw/zinc/22/77/66/225227766.db2.gz OGENAUSDDWQCOW-GDBMZVCRSA-N 1 0 307.390 2.171 20 10 DECDRO OCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000265273633 225331149 /nfs/dbraw/zinc/33/11/49/225331149.db2.gz VGPMUMNAHZLUCC-UHFFFAOYSA-N 1 0 304.434 2.308 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1OC ZINC000368497062 227010508 /nfs/dbraw/zinc/01/05/08/227010508.db2.gz VAUJJVTURKOQSJ-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377241280 227185029 /nfs/dbraw/zinc/18/50/29/227185029.db2.gz QDXVZKMJPWIXNB-ZWKOTPCHSA-N 1 0 316.445 2.382 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834904960 649859024 /nfs/dbraw/zinc/85/90/24/649859024.db2.gz CUZHNABMJOENPF-SCLBCKFNSA-N 1 0 322.424 2.474 20 10 DECDRO CC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)NC ZINC000834913985 649859706 /nfs/dbraw/zinc/85/97/06/649859706.db2.gz RTIGMVQGDOUDPU-LDYMZIIASA-N 1 0 315.211 2.330 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000237219187 276863390 /nfs/dbraw/zinc/86/33/90/276863390.db2.gz OOYVODMYOLZRRN-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)cc1OC ZINC000271078781 277839533 /nfs/dbraw/zinc/83/95/33/277839533.db2.gz XVXQBXCSMJVEAF-UHFFFAOYSA-N 1 0 309.366 2.142 20 10 DECDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000193685287 278372767 /nfs/dbraw/zinc/37/27/67/278372767.db2.gz CWCKTGHDUZCBTM-YOEHRIQHSA-N 1 0 301.434 2.291 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000835029843 649869248 /nfs/dbraw/zinc/86/92/48/649869248.db2.gz SXZXFZIXRXEZSV-ONEGZZNKSA-N 1 0 313.445 2.368 20 10 DECDRO Cc1nc2n(n1)C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000835035326 649869483 /nfs/dbraw/zinc/86/94/83/649869483.db2.gz AQBVOBUUQVEQHJ-DWTRPJMMSA-N 1 0 311.433 2.270 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CCO)CCOCC2)cc1 ZINC000835033182 649869547 /nfs/dbraw/zinc/86/95/47/649869547.db2.gz QJVVQRLCDNEKLQ-ONEGZZNKSA-N 1 0 304.434 2.287 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCCC2=O)cc1 ZINC000835034296 649869611 /nfs/dbraw/zinc/86/96/11/649869611.db2.gz SPNGHOLEALHKRP-UTCJRWHESA-N 1 0 301.434 2.368 20 10 DECDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160320112 520254581 /nfs/dbraw/zinc/25/45/81/520254581.db2.gz QYUIZKWBNDJPNW-CYBMUJFWSA-N 1 0 308.422 2.183 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160316904 520847248 /nfs/dbraw/zinc/84/72/48/520847248.db2.gz KENVRYSLHMUOIF-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181139095 521485802 /nfs/dbraw/zinc/48/58/02/521485802.db2.gz WHLAUNKWBOGAGV-ZKKXHLJNSA-N 1 0 318.417 2.301 20 10 DECDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccccc2O)n1 ZINC000190340947 521588925 /nfs/dbraw/zinc/58/89/25/521588925.db2.gz UGOXBXJULUFKQS-UHFFFAOYSA-N 1 0 306.387 2.358 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000157499296 522621240 /nfs/dbraw/zinc/62/12/40/522621240.db2.gz ZTXUJQQAFCNOTH-HIFRSBDPSA-N 1 0 307.390 2.355 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2cccs2)cc1OC ZINC000182383896 522782829 /nfs/dbraw/zinc/78/28/29/522782829.db2.gz UZTQBPVLQVJKHI-MRXNPFEDSA-N 1 0 323.414 2.468 20 10 DECDRO CNC(=O)CC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129600705 524055864 /nfs/dbraw/zinc/05/58/64/524055864.db2.gz YRKWIFIMMUPWGH-UHFFFAOYSA-N 1 0 307.413 2.240 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000180548256 524733270 /nfs/dbraw/zinc/73/32/70/524733270.db2.gz VZOQVGFVQUNSBX-UHFFFAOYSA-N 1 0 322.449 2.191 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1C ZINC000129941870 525314807 /nfs/dbraw/zinc/31/48/07/525314807.db2.gz BASBPOCFUUQNOK-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO Fc1cc(C[NH2+]C[C@@H]2CCC=CO2)ccc1N1CCOCC1 ZINC000189556785 526296615 /nfs/dbraw/zinc/29/66/15/526296615.db2.gz AVNNSXOGTHFLBU-HNNXBMFYSA-N 1 0 306.381 2.445 20 10 DECDRO Cc1nsc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000180448526 526712037 /nfs/dbraw/zinc/71/20/37/526712037.db2.gz ZXIRVFUWISWKGC-UHFFFAOYSA-N 1 0 304.419 2.183 20 10 DECDRO Cc1nn(C)c(C[NH2+]Cc2ccccc2O)c1Br ZINC000228414796 527664003 /nfs/dbraw/zinc/66/40/03/527664003.db2.gz KHFBXNSMPCUFHD-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO CC1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)COC1 ZINC000285371594 535152607 /nfs/dbraw/zinc/15/26/07/535152607.db2.gz FYARMVPMGCGPGE-UHFFFAOYSA-N 1 0 304.434 2.021 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCOCC2)cc1 ZINC000289539814 535686978 /nfs/dbraw/zinc/68/69/78/535686978.db2.gz WSTUDHVEHIIEMO-UHFFFAOYSA-N 1 0 305.466 2.345 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000835051411 649871927 /nfs/dbraw/zinc/87/19/27/649871927.db2.gz BKFKOSZKCGUPKN-ONEGZZNKSA-N 1 0 304.434 2.287 20 10 DECDRO C[C@H](O)C[N@@H+]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835054859 649872773 /nfs/dbraw/zinc/87/27/73/649872773.db2.gz RTGCRKJJRAAQAU-WBXGCANISA-N 1 0 317.477 2.153 20 10 DECDRO CC(C)OC[C@@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054833 649873045 /nfs/dbraw/zinc/87/30/45/649873045.db2.gz ZKAVQDVUWHYADZ-IPLHWJFFSA-N 1 0 306.450 2.484 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736827885 598617740 /nfs/dbraw/zinc/61/77/40/598617740.db2.gz CUBUWVMRZPORAI-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000186980353 625413411 /nfs/dbraw/zinc/41/34/11/625413411.db2.gz SGBKROMDONZXBU-AWEZNQCLSA-N 1 0 318.348 2.270 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC=CO2)[NH+](C)C)cc1 ZINC000891247187 623791330 /nfs/dbraw/zinc/79/13/30/623791330.db2.gz GSYRLZPMJAHGBX-SJORKVTESA-N 1 0 317.433 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CC[NH2+]C2)cc1 ZINC000891390774 624138480 /nfs/dbraw/zinc/13/84/80/624138480.db2.gz LFKLAYAMZVKWQI-QGZVFWFLSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(C(=O)NCCCSc1nccs1)[C@@H]1CC[NH2+]C1 ZINC000891674725 624525740 /nfs/dbraw/zinc/52/57/40/624525740.db2.gz POBHSBZYRYFYBA-LLVKDONJSA-N 1 0 314.480 2.019 20 10 DECDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(OC)c(OC)c1O ZINC000891748598 624575166 /nfs/dbraw/zinc/57/51/66/624575166.db2.gz RFSRAYCHTQWWBJ-UHFFFAOYSA-N 1 0 324.421 2.148 20 10 DECDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c1OC ZINC000891864892 624634303 /nfs/dbraw/zinc/63/43/03/624634303.db2.gz WDYONWIOSUNDAK-AWEZNQCLSA-N 1 0 306.406 2.080 20 10 DECDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784183 /nfs/dbraw/zinc/78/41/83/624784183.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 1 0 308.422 2.324 20 10 DECDRO C[C@@H]1CSCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934299666 624833030 /nfs/dbraw/zinc/83/30/30/624833030.db2.gz CISGWUOQPWZMHD-CQSZACIVSA-N 1 0 321.490 2.196 20 10 DECDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 ZINC000893044075 625074235 /nfs/dbraw/zinc/07/42/35/625074235.db2.gz CWUYQCMLRNWSFG-MNOVXSKESA-N 1 0 320.505 2.038 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC000892532815 625110459 /nfs/dbraw/zinc/11/04/59/625110459.db2.gz HISSTLGUBSFGHY-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO COC(=O)CC[N@H+](Cc1cc(F)ccc1O)C1CCOCC1 ZINC000180213301 625179031 /nfs/dbraw/zinc/17/90/31/625179031.db2.gz AXYXBKXWDHUOBM-UHFFFAOYSA-N 1 0 311.353 2.075 20 10 DECDRO O=S1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000892613970 625195418 /nfs/dbraw/zinc/19/54/18/625195418.db2.gz ZYBMHEWKGKWHTF-UHFFFAOYSA-N 1 0 324.515 2.241 20 10 DECDRO CN(CCC[NH+](C)C)C(=O)NCCCSc1nccs1 ZINC000186440437 634758863 /nfs/dbraw/zinc/75/88/63/634758863.db2.gz UROSRFOFZKKYCI-UHFFFAOYSA-N 1 0 316.496 2.218 20 10 DECDRO CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC000996688142 633349877 /nfs/dbraw/zinc/34/98/77/633349877.db2.gz KTLHTLLZUHEEHI-CYBMUJFWSA-N 1 0 317.393 2.309 20 10 DECDRO Fc1cc(C[NH2+]CCOCC(F)F)ccc1N1CCOCC1 ZINC000788075897 633576384 /nfs/dbraw/zinc/57/63/84/633576384.db2.gz KRFOBNKZFMMOSP-UHFFFAOYSA-N 1 0 318.339 2.034 20 10 DECDRO O=C(NCCC[NH2+]Cc1ccc2c(c1)CCCO2)C1CCC1 ZINC000921817646 635394695 /nfs/dbraw/zinc/39/46/95/635394695.db2.gz USIOBCFMXJLGIZ-UHFFFAOYSA-N 1 0 302.418 2.408 20 10 DECDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066989094 635654915 /nfs/dbraw/zinc/65/49/15/635654915.db2.gz MRYPFQHWDPMMQO-OAHLLOKOSA-N 1 0 310.413 2.159 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922113070 635874927 /nfs/dbraw/zinc/87/49/27/635874927.db2.gz JCXPHKOFPYQGPE-WBVHZDCISA-N 1 0 307.434 2.259 20 10 DECDRO NC(=O)CC1CC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000922512297 636212125 /nfs/dbraw/zinc/21/21/25/636212125.db2.gz PWTLCQNQDUJHHQ-UHFFFAOYSA-N 1 0 301.434 2.421 20 10 DECDRO CCOc1ccc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249894039 636255837 /nfs/dbraw/zinc/25/58/37/636255837.db2.gz RCHMXNFWEZGJEV-AWEZNQCLSA-N 1 0 322.449 2.068 20 10 DECDRO COc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c(O)c1OC ZINC000894136148 636267469 /nfs/dbraw/zinc/26/74/69/636267469.db2.gz CIYBHUUFLLXLLQ-NHYWBVRUSA-N 1 0 307.390 2.409 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1C ZINC000922597263 636274166 /nfs/dbraw/zinc/27/41/66/636274166.db2.gz WXBAAJVUKSQRNL-UHFFFAOYSA-N 1 0 305.418 2.420 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c(O)c1 ZINC000894186450 636400585 /nfs/dbraw/zinc/40/05/85/636400585.db2.gz WZUAYDWDVOYFAD-ZIAGYGMSSA-N 1 0 311.353 2.124 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)OCO2 ZINC000922895183 636780734 /nfs/dbraw/zinc/78/07/34/636780734.db2.gz CUSAUWIBKRLVPO-YVEFUNNKSA-N 1 0 305.374 2.416 20 10 DECDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCOCC2 ZINC000923019008 636917945 /nfs/dbraw/zinc/91/79/45/636917945.db2.gz LQIOEYODBUNCSF-SJORKVTESA-N 1 0 303.402 2.031 20 10 DECDRO COC(=O)c1c(C[NH2+]CC(C)(C)CO)c2cc(F)ccc2n1C ZINC000894359610 636939999 /nfs/dbraw/zinc/93/99/99/636939999.db2.gz PJKHGJOCHBUCRQ-UHFFFAOYSA-N 1 0 322.380 2.212 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@H](C)OC)c2cc(F)ccc2n1C ZINC000894533087 637093712 /nfs/dbraw/zinc/09/37/12/637093712.db2.gz OWJMUFRTVRAQDU-JTQLQIEISA-N 1 0 308.353 2.229 20 10 DECDRO COc1cc(C)cc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1O ZINC000894765979 637202872 /nfs/dbraw/zinc/20/28/72/637202872.db2.gz MFWGTFNKXJDUFL-MRXNPFEDSA-N 1 0 322.449 2.252 20 10 DECDRO COC(=O)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000894789914 637206409 /nfs/dbraw/zinc/20/64/09/637206409.db2.gz FOYLIJVUCCKDJU-LBPRGKRZSA-N 1 0 309.362 2.046 20 10 DECDRO COc1cc(O)c(C[NH2+]CCO[C@@H]2CCCCO2)cc1OC ZINC000894798539 637213544 /nfs/dbraw/zinc/21/35/44/637213544.db2.gz FRANZFRBLKQYFK-MRXNPFEDSA-N 1 0 311.378 2.042 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000894866472 637274186 /nfs/dbraw/zinc/27/41/86/637274186.db2.gz RPMBIJKDQXXQGP-ROUUACIJSA-N 1 0 321.417 2.119 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCS(=O)CC3)C2)cc1 ZINC000895006603 637365807 /nfs/dbraw/zinc/36/58/07/637365807.db2.gz SHVIJFABEKJIQZ-LJHBPXGCSA-N 1 0 322.474 2.022 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000895013250 637375487 /nfs/dbraw/zinc/37/54/87/637375487.db2.gz ZOCXIKDDUQDYKH-LBPRGKRZSA-N 1 0 302.378 2.125 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000895030895 637395858 /nfs/dbraw/zinc/39/58/58/637395858.db2.gz MQSJSGTUBUUQAK-JOCQHMNTSA-N 1 0 306.406 2.091 20 10 DECDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788269027 637541715 /nfs/dbraw/zinc/54/17/15/637541715.db2.gz KEBOJWKRICFRFA-JOYOIKCWSA-N 1 0 300.196 2.418 20 10 DECDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839131968 637800638 /nfs/dbraw/zinc/80/06/38/637800638.db2.gz SIWRSHMMDNYSAW-GASCZTMLSA-N 1 0 318.392 2.358 20 10 DECDRO COc1ccc([C@H](CO)C[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000839183675 637812962 /nfs/dbraw/zinc/81/29/62/637812962.db2.gz AEQPBEVMIUSLKF-AWEZNQCLSA-N 1 0 317.385 2.275 20 10 DECDRO Cc1cc(O)c(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000840890784 650371850 /nfs/dbraw/zinc/37/18/50/650371850.db2.gz RJFJNEARDNOVAR-CHWSQXEVSA-N 1 0 310.825 2.307 20 10 DECDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839504586 637898329 /nfs/dbraw/zinc/89/83/29/637898329.db2.gz LPPDEWSJBPACMJ-GOEBONIOSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000840913660 650377982 /nfs/dbraw/zinc/37/79/82/650377982.db2.gz ZRRAJSJLAOIRKA-DLBZAZTESA-N 1 0 301.434 2.304 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000895438450 638023966 /nfs/dbraw/zinc/02/39/66/638023966.db2.gz DJQAKCWKFVJGIQ-RTBURBONSA-N 1 0 318.461 2.383 20 10 DECDRO COC(=O)c1coc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895447086 638028638 /nfs/dbraw/zinc/02/86/38/638028638.db2.gz JVVLPFZDRQLWEY-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000840941077 650390283 /nfs/dbraw/zinc/39/02/83/650390283.db2.gz QVCGIKJWFULCFE-KRWDZBQOSA-N 1 0 324.490 2.460 20 10 DECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840941356 650391752 /nfs/dbraw/zinc/39/17/52/650391752.db2.gz VDVKHFHGYCETBT-INIZCTEOSA-N 1 0 303.450 2.409 20 10 DECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(N(C)C)cc3C)[C@H]2C1 ZINC000840949176 650393207 /nfs/dbraw/zinc/39/32/07/650393207.db2.gz PSJDCTDDBAZJSC-RBUKOAKNSA-N 1 0 317.477 2.356 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1O ZINC000840963040 650395836 /nfs/dbraw/zinc/39/58/36/650395836.db2.gz KOMZLGAVEDZFDS-AWEZNQCLSA-N 1 0 305.349 2.406 20 10 DECDRO C[N@@H+]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000743430558 638146187 /nfs/dbraw/zinc/14/61/87/638146187.db2.gz KLZITXJLRRESMR-HNNXBMFYSA-N 1 0 314.385 2.466 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000745854682 638294606 /nfs/dbraw/zinc/29/46/06/638294606.db2.gz NBWFKEQTCJPPSQ-AVGNSLFASA-N 1 0 321.421 2.244 20 10 DECDRO C/C=C/CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896018496 638312826 /nfs/dbraw/zinc/31/28/26/638312826.db2.gz OOFSPBAFIGNRRD-FYCOFBDGSA-N 1 0 304.438 2.231 20 10 DECDRO COc1cc(C)nc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841041724 650411663 /nfs/dbraw/zinc/41/16/63/650411663.db2.gz AVMVTSKGSYVEOS-SFHVURJKSA-N 1 0 314.433 2.254 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1F ZINC000746693381 638370855 /nfs/dbraw/zinc/37/08/55/638370855.db2.gz QSAOEBKAPHKSQO-UHFFFAOYSA-N 1 0 322.428 2.177 20 10 DECDRO COc1cc(Cl)cc(CN[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000841075618 650423143 /nfs/dbraw/zinc/42/31/43/650423143.db2.gz SXKRWTOVNDMQNP-NSHDSACASA-N 1 0 306.740 2.141 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896707527 638643263 /nfs/dbraw/zinc/64/32/63/638643263.db2.gz CDKLRELHXQGPAO-VIFPVBQESA-N 1 0 308.403 2.383 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000897003243 639123471 /nfs/dbraw/zinc/12/34/71/639123471.db2.gz NVYAHXMGLRTGBX-LBPRGKRZSA-N 1 0 308.378 2.341 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897019469 639128966 /nfs/dbraw/zinc/12/89/66/639128966.db2.gz RZNKGDVICCPUAM-UHFFFAOYSA-N 1 0 320.389 2.255 20 10 DECDRO CCc1cccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000897021058 639134602 /nfs/dbraw/zinc/13/46/02/639134602.db2.gz RTQWKLRKPPCHJI-OAHLLOKOSA-N 1 0 304.390 2.275 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1O ZINC000897229262 639260906 /nfs/dbraw/zinc/26/09/06/639260906.db2.gz SIFNWWWYQGTQHJ-INIZCTEOSA-N 1 0 320.433 2.052 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897229848 639262892 /nfs/dbraw/zinc/26/28/92/639262892.db2.gz XMCREDLHZAOPFH-LJQANCHMSA-N 1 0 317.477 2.404 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000840717088 639278396 /nfs/dbraw/zinc/27/83/96/639278396.db2.gz QSMUPHYXCOPPSK-FRQCXROJSA-N 1 0 317.477 2.451 20 10 DECDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C1 ZINC000754884051 639489604 /nfs/dbraw/zinc/48/96/04/639489604.db2.gz VYQYNIWGGHYUFK-MRXNPFEDSA-N 1 0 312.417 2.006 20 10 DECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756573586 639676815 /nfs/dbraw/zinc/67/68/15/639676815.db2.gz BHHJCZDBCWZLSH-TVQRCGJNSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCOCC2)c2c1c(F)ccc2O ZINC000756735894 639690910 /nfs/dbraw/zinc/69/09/10/639690910.db2.gz CQDYMMROQLRGNQ-RIEGTJTDSA-N 1 0 309.381 2.457 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1C ZINC000756759928 639693125 /nfs/dbraw/zinc/69/31/25/639693125.db2.gz HZYZKTJLWXLORG-ZDUSSCGKSA-N 1 0 311.447 2.484 20 10 DECDRO CC(C)(CNC(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000841630431 650527338 /nfs/dbraw/zinc/52/73/38/650527338.db2.gz FCCPSFGISSPSSW-UHFFFAOYSA-N 1 0 318.465 2.375 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000841651846 650530379 /nfs/dbraw/zinc/53/03/79/650530379.db2.gz BKXFTGZFPMTJFF-SFHVURJKSA-N 1 0 316.449 2.038 20 10 DECDRO CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000729043299 639956173 /nfs/dbraw/zinc/95/61/73/639956173.db2.gz CUSGCFQUPLPADC-LBPRGKRZSA-N 1 0 321.421 2.245 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000841718511 650550578 /nfs/dbraw/zinc/55/05/78/650550578.db2.gz UCAXLPOQUCMYKY-MRXNPFEDSA-N 1 0 306.454 2.315 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000841719231 650551050 /nfs/dbraw/zinc/55/10/50/650551050.db2.gz GTGFLKJJOMHTJT-OAHLLOKOSA-N 1 0 304.438 2.023 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1 ZINC000841719407 650551323 /nfs/dbraw/zinc/55/13/23/650551323.db2.gz LGTGOQWMCXDECE-UHFFFAOYSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000841762617 650559266 /nfs/dbraw/zinc/55/92/66/650559266.db2.gz YUBXVZIMTLTGDR-OCCSQVGLSA-N 1 0 322.428 2.018 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000841792814 650565291 /nfs/dbraw/zinc/56/52/91/650565291.db2.gz GQPWDZKSBKRKKU-UHFFFAOYSA-N 1 0 318.465 2.413 20 10 DECDRO C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593936 640231176 /nfs/dbraw/zinc/23/11/76/640231176.db2.gz HGEOQCKVVZVTDX-MFKMUULPSA-N 1 0 321.356 2.011 20 10 DECDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794251 650565642 /nfs/dbraw/zinc/56/56/42/650565642.db2.gz VVWSHZUPBPCRSN-OAHLLOKOSA-N 1 0 318.465 2.412 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1F ZINC000841799597 650567400 /nfs/dbraw/zinc/56/74/00/650567400.db2.gz YHWPJSMASOPSNL-HNNXBMFYSA-N 1 0 322.428 2.208 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000841827387 650572977 /nfs/dbraw/zinc/57/29/77/650572977.db2.gz NCGDYNKQNABAKV-INIZCTEOSA-N 1 0 304.438 2.084 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841827864 650574031 /nfs/dbraw/zinc/57/40/31/650574031.db2.gz PSGFQXZFXLQLRQ-RHSMWYFYSA-N 1 0 318.465 2.378 20 10 DECDRO CN(C)c1ccc([C@H](CNc2nccnc2F)[NH+](C)C)cc1 ZINC000897523209 640541923 /nfs/dbraw/zinc/54/19/23/640541923.db2.gz RUAIFQJRPKZCFP-AWEZNQCLSA-N 1 0 303.385 2.397 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880538 650590957 /nfs/dbraw/zinc/59/09/57/650590957.db2.gz BYYLRMVDUWRENA-VNHYZAJKSA-N 1 0 304.438 2.253 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCNC1=O ZINC000764141012 640610895 /nfs/dbraw/zinc/61/08/95/640610895.db2.gz RZLSSSANCVSBOH-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1F ZINC000841893752 650595370 /nfs/dbraw/zinc/59/53/70/650595370.db2.gz IINKEFPMAOZCBO-GFCCVEGCSA-N 1 0 301.356 2.321 20 10 DECDRO C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841930124 650605150 /nfs/dbraw/zinc/60/51/50/650605150.db2.gz ZITSWRKDBSHYLX-GDBMZVCRSA-N 1 0 318.465 2.282 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841935858 650606372 /nfs/dbraw/zinc/60/63/72/650606372.db2.gz AUHDAONIWRWWNO-OAHLLOKOSA-N 1 0 304.438 2.036 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000729512857 640787153 /nfs/dbraw/zinc/78/71/53/640787153.db2.gz URSUMUSWVQRROE-MRXNPFEDSA-N 1 0 303.450 2.443 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2cnnn2)c1 ZINC000765608824 640799620 /nfs/dbraw/zinc/79/96/20/640799620.db2.gz LRTYCGNPWGCWPI-CYBMUJFWSA-N 1 0 321.384 2.448 20 10 DECDRO [NH3+]C1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000841945755 650608957 /nfs/dbraw/zinc/60/89/57/650608957.db2.gz WTPNJLPNYFALFV-UHFFFAOYSA-N 1 0 317.433 2.340 20 10 DECDRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841956066 650612061 /nfs/dbraw/zinc/61/20/61/650612061.db2.gz TYHBLFAKQBUIQT-ZDUSSCGKSA-N 1 0 312.417 2.330 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000841966658 650615213 /nfs/dbraw/zinc/61/52/13/650615213.db2.gz XDMHORFDANILEX-KRWDZBQOSA-N 1 0 316.449 2.164 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000897950625 640983919 /nfs/dbraw/zinc/98/39/19/640983919.db2.gz MUENUYWAXCWEOG-FZKQIMNGSA-N 1 0 315.369 2.233 20 10 DECDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cccc(C)c1O)CCO2 ZINC000897999465 640989117 /nfs/dbraw/zinc/98/91/17/640989117.db2.gz NHSMRFCRSRSCIO-QZTJIDSGSA-N 1 0 321.417 2.493 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C)ccc1O ZINC000897985841 640996181 /nfs/dbraw/zinc/99/61/81/640996181.db2.gz SAISWDRAJCGTIC-CYBMUJFWSA-N 1 0 315.373 2.308 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc1 ZINC000898061038 641013059 /nfs/dbraw/zinc/01/30/59/641013059.db2.gz KKPJCOKPNGLEGB-SFHVURJKSA-N 1 0 314.433 2.282 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898054235 641015097 /nfs/dbraw/zinc/01/50/97/641015097.db2.gz STUGTKOFKOPLBI-KRWDZBQOSA-N 1 0 301.390 2.230 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(CCO)cc2)c(O)c1OC ZINC000898168316 641042892 /nfs/dbraw/zinc/04/28/92/641042892.db2.gz AKAITQQSBLAZAM-UHFFFAOYSA-N 1 0 317.385 2.234 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1C ZINC000768190871 641058414 /nfs/dbraw/zinc/05/84/14/641058414.db2.gz CWGWBZYRSWXQTL-KRWDZBQOSA-N 1 0 304.434 2.306 20 10 DECDRO C[N@H+](CCOc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437658 641081066 /nfs/dbraw/zinc/08/10/66/641081066.db2.gz BXRDRZXRAISZAJ-QGZVFWFLSA-N 1 0 315.369 2.329 20 10 DECDRO C[N@H+](CC(=O)N1CCCC1)Cc1cc2c(cc1O)CCCC2 ZINC000768441217 641081274 /nfs/dbraw/zinc/08/12/74/641081274.db2.gz ILLJHVJNSWUKKA-UHFFFAOYSA-N 1 0 302.418 2.325 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccco3)C1)[C@H](O)CO2 ZINC000768444387 641082847 /nfs/dbraw/zinc/08/28/47/641082847.db2.gz AQDSRVBXXPUGBZ-XHDPSFHLSA-N 1 0 301.342 2.401 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCOC3)C1)[C@@H](O)CO2 ZINC000768464751 641084607 /nfs/dbraw/zinc/08/46/07/641084607.db2.gz UHRJSDZGHGAOFF-WMZOPIPTSA-N 1 0 319.401 2.211 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466276 641086124 /nfs/dbraw/zinc/08/61/24/641086124.db2.gz XKHNRCNMFPCEOR-SUMWQHHRSA-N 1 0 319.401 2.067 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000768920073 641143619 /nfs/dbraw/zinc/14/36/19/641143619.db2.gz NYNUOAASDOFCCQ-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO CCOc1ccc(CN2CCC([N@H+](C)CCCO)CC2)c(O)c1 ZINC000769428747 641238724 /nfs/dbraw/zinc/23/87/24/641238724.db2.gz SSUGMVMHYMBCEH-UHFFFAOYSA-N 1 0 322.449 2.070 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)cccc1OC)CC2 ZINC000769478483 641247458 /nfs/dbraw/zinc/24/74/58/641247458.db2.gz DUYIHJAAISZNGE-IAGOWNOFSA-N 1 0 321.417 2.153 20 10 DECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773026526 641718481 /nfs/dbraw/zinc/71/84/81/641718481.db2.gz NPAWMVTXSDBSFW-CVEARBPZSA-N 1 0 322.449 2.225 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(F)C2)[NH+](C)C)cc1 ZINC000899104661 641936533 /nfs/dbraw/zinc/93/65/33/641936533.db2.gz RYYWOMORIWONJJ-HNNXBMFYSA-N 1 0 322.428 2.109 20 10 DECDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000775136567 642010264 /nfs/dbraw/zinc/01/02/64/642010264.db2.gz LGPUCBZIQUQLER-CYBMUJFWSA-N 1 0 320.414 2.021 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])N[C@@H](C)C3CC3)C2)cc1 ZINC000899272708 642013690 /nfs/dbraw/zinc/01/36/90/642013690.db2.gz NJGHLRZBTARBJN-KBPBESRZSA-N 1 0 316.449 2.434 20 10 DECDRO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258851 642022073 /nfs/dbraw/zinc/02/20/73/642022073.db2.gz KYVCSEKQSVCWFB-OAHLLOKOSA-N 1 0 319.449 2.042 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000775647404 642071066 /nfs/dbraw/zinc/07/10/66/642071066.db2.gz UPAJCRCUGVZONX-IBGZPJMESA-N 1 0 317.477 2.438 20 10 DECDRO COC(=O)CC[N@@H+](Cc1cccc(C)c1O)C[C@H]1CCCO1 ZINC000775703708 642081405 /nfs/dbraw/zinc/08/14/05/642081405.db2.gz VRMVBGCPQVXWSK-OAHLLOKOSA-N 1 0 307.390 2.245 20 10 DECDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000775711961 642083389 /nfs/dbraw/zinc/08/33/89/642083389.db2.gz CCUKUXCERZPFSO-NSHDSACASA-N 1 0 317.838 2.221 20 10 DECDRO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775834786 642103006 /nfs/dbraw/zinc/10/30/06/642103006.db2.gz QHTZTERZHPFBFS-NSHDSACASA-N 1 0 317.355 2.472 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775835421 642103268 /nfs/dbraw/zinc/10/32/68/642103268.db2.gz YOSOBECLPNGNQC-GFCCVEGCSA-N 1 0 320.437 2.028 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000779431883 642498788 /nfs/dbraw/zinc/49/87/88/642498788.db2.gz GVKDAEQDCGYROU-UHFFFAOYSA-N 1 0 306.797 2.500 20 10 DECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1O)CCC2 ZINC000780480426 642630132 /nfs/dbraw/zinc/63/01/32/642630132.db2.gz MKNJNKQXGDMNMX-CQSZACIVSA-N 1 0 318.461 2.158 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@H](O)CO2 ZINC000842618587 650783595 /nfs/dbraw/zinc/78/35/95/650783595.db2.gz SUVMJXIECHFKNU-SRCQZFHVSA-N 1 0 319.401 2.209 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCC2)O1 ZINC000842644767 650793740 /nfs/dbraw/zinc/79/37/40/650793740.db2.gz HQZCKRJKRRXRBM-MLGOLLRUSA-N 1 0 319.401 2.352 20 10 DECDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000782535542 642893828 /nfs/dbraw/zinc/89/38/28/642893828.db2.gz JVLOBFNKCFZQAM-UHFFFAOYSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000842669651 650800210 /nfs/dbraw/zinc/80/02/10/650800210.db2.gz NMLHUKFIHBJAFD-GXTWGEPZSA-N 1 0 308.397 2.054 20 10 DECDRO CCOc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(O)c1 ZINC000783702484 643038674 /nfs/dbraw/zinc/03/86/74/643038674.db2.gz PJIHSIGWLPCSTF-CQSZACIVSA-N 1 0 322.449 2.068 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000783729121 643043412 /nfs/dbraw/zinc/04/34/12/643043412.db2.gz MBDFRVMUYWBLIZ-SFHVURJKSA-N 1 0 317.477 2.031 20 10 DECDRO Oc1ccc(Br)cc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841074114 643139747 /nfs/dbraw/zinc/13/97/47/643139747.db2.gz BRRJEZKAGNCIKQ-NSHDSACASA-N 1 0 321.165 2.242 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)N(CC)OC)cc1F ZINC000842768487 650821850 /nfs/dbraw/zinc/82/18/50/650821850.db2.gz AJZVPGFJRQEXLD-UHFFFAOYSA-N 1 0 311.401 2.171 20 10 DECDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000903077007 643241397 /nfs/dbraw/zinc/24/13/97/643241397.db2.gz XIGPNFJOWXPYCF-WMZOPIPTSA-N 1 0 322.424 2.444 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903324900 643315317 /nfs/dbraw/zinc/31/53/17/643315317.db2.gz SGVNNGLXSMTWKM-UKRRQHHQSA-N 1 0 307.413 2.017 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000903342806 643319741 /nfs/dbraw/zinc/31/97/41/643319741.db2.gz KRBNNZOVHOFDEJ-KGLIPLIRSA-N 1 0 308.422 2.162 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]CC1(O)CCC3(CC1)OCCO3)CC2 ZINC000903372787 643330570 /nfs/dbraw/zinc/33/05/70/643330570.db2.gz NVOWQEFKJLOUPL-CQSZACIVSA-N 1 0 319.401 2.017 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H](CO)Cc1ccccc1C ZINC000786160828 643333243 /nfs/dbraw/zinc/33/32/43/643333243.db2.gz LYKFPKZFRGJDSO-HNNXBMFYSA-N 1 0 301.386 2.402 20 10 DECDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000786946812 643432700 /nfs/dbraw/zinc/43/27/00/643432700.db2.gz VSEWTAXXITXKLU-VIFPVBQESA-N 1 0 303.811 2.131 20 10 DECDRO COc1ccc(N2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cc1F ZINC000903740267 643450586 /nfs/dbraw/zinc/45/05/86/643450586.db2.gz FJMIDSLUOLHIOE-OAHLLOKOSA-N 1 0 321.440 2.346 20 10 DECDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000903804221 643468459 /nfs/dbraw/zinc/46/84/59/643468459.db2.gz BBHNMPAOUNIKFC-PKOBYXMFSA-N 1 0 315.461 2.227 20 10 DECDRO Cc1cc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)ccc1N(C)C ZINC000903819551 643472123 /nfs/dbraw/zinc/47/21/23/643472123.db2.gz KOKRTXIEFJDTKL-UHFFFAOYSA-N 1 0 317.477 2.406 20 10 DECDRO O=C(NCCCSc1nccs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787350146 643484832 /nfs/dbraw/zinc/48/48/32/643484832.db2.gz XJTVGVFQGUJFNK-LBPRGKRZSA-N 1 0 311.476 2.368 20 10 DECDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000788377568 643602122 /nfs/dbraw/zinc/60/21/22/643602122.db2.gz KBBQQNUNUXBBCK-OAHLLOKOSA-N 1 0 318.461 2.424 20 10 DECDRO CN(C)c1ccc(CNC(=[NH2+])NC[C@H]2CCCS2)cc1F ZINC000905041987 643767913 /nfs/dbraw/zinc/76/79/13/643767913.db2.gz MPZVBYGHMIKHCJ-GFCCVEGCSA-N 1 0 310.442 2.401 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@H](O)CC3(O)CCCC3)ccc21 ZINC000905076052 643788268 /nfs/dbraw/zinc/78/82/68/643788268.db2.gz MAGVMQDEZZXFCN-QGZVFWFLSA-N 1 0 318.461 2.215 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000790618511 643873761 /nfs/dbraw/zinc/87/37/61/643873761.db2.gz ILZRHRLCMIFOEJ-JSGCOSHPSA-N 1 0 301.814 2.293 20 10 DECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1C ZINC000792985552 644177179 /nfs/dbraw/zinc/17/71/79/644177179.db2.gz ZWNODOZJBYDWBB-SLEUVZQESA-N 1 0 307.390 2.468 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(O)c1 ZINC000792992975 644177756 /nfs/dbraw/zinc/17/77/56/644177756.db2.gz QIXVJDBEYIBFOQ-LBPRGKRZSA-N 1 0 323.437 2.176 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000793247555 644214682 /nfs/dbraw/zinc/21/46/82/644214682.db2.gz QTUPAPNPXOARDO-SFHVURJKSA-N 1 0 322.424 2.399 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000794830315 644481502 /nfs/dbraw/zinc/48/15/02/644481502.db2.gz WQBKWPHSQVBPIE-KOLCDFICSA-N 1 0 313.394 2.246 20 10 DECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795703381 644622469 /nfs/dbraw/zinc/62/24/69/644622469.db2.gz RTBHFJQVTROQJB-KSSFIOAISA-N 1 0 316.445 2.176 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2O ZINC000795845041 644646409 /nfs/dbraw/zinc/64/64/09/644646409.db2.gz OKXKWAHJRUNEOH-IONNQARKSA-N 1 0 302.296 2.051 20 10 DECDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796393261 644730586 /nfs/dbraw/zinc/73/05/86/644730586.db2.gz HSKZXYLLJUMTAQ-CJNGLKHVSA-N 1 0 321.490 2.052 20 10 DECDRO CCOc1cccc(C[NH2+]CC2CCN(C(=O)OC)CC2)c1O ZINC000796500649 644745867 /nfs/dbraw/zinc/74/58/67/644745867.db2.gz QIQHPGBCOMDJFM-UHFFFAOYSA-N 1 0 322.405 2.359 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000796515659 644747548 /nfs/dbraw/zinc/74/75/48/644747548.db2.gz ZVSQLMODUJOFFX-UHFFFAOYSA-N 1 0 317.838 2.493 20 10 DECDRO C[NH+]1CCC2(CCC(NC(=O)c3cccc(O)c3O)CC2)CC1 ZINC000908496546 644877304 /nfs/dbraw/zinc/87/73/04/644877304.db2.gz UPDIXOHOWJMCFM-UHFFFAOYSA-N 1 0 318.417 2.482 20 10 DECDRO O=C1N[C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C[C@@H]2CO1 ZINC000799143539 645131829 /nfs/dbraw/zinc/13/18/29/645131829.db2.gz OMSWRRVLDKKGTK-CVEARBPZSA-N 1 0 316.401 2.201 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000911782427 645821666 /nfs/dbraw/zinc/82/16/66/645821666.db2.gz IYWGVLIHZJQOCG-XIRDDKMYSA-N 1 0 301.434 2.238 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c(O)cc1C ZINC000808219438 646057279 /nfs/dbraw/zinc/05/72/79/646057279.db2.gz UNBICSGSAQSJGB-HNNXBMFYSA-N 1 0 320.433 2.447 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCc3c(cnn3C)C2)cc1OC ZINC000840174118 646226301 /nfs/dbraw/zinc/22/63/01/646226301.db2.gz XWUCVNCYFLGCLQ-UHFFFAOYSA-N 1 0 317.389 2.091 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(F)ccc3O)[C@H]2C1 ZINC000809788008 646283291 /nfs/dbraw/zinc/28/32/91/646283291.db2.gz LJFUUWDEWIUDHV-RCBQFDQVSA-N 1 0 306.381 2.268 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(F)ccc3O)[C@H]2C1 ZINC000809788010 646283436 /nfs/dbraw/zinc/28/34/36/646283436.db2.gz LJFUUWDEWIUDHV-VBNZEHGJSA-N 1 0 306.381 2.268 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000810178427 646335513 /nfs/dbraw/zinc/33/55/13/646335513.db2.gz PMEYMTQLLXPTSM-QGZVFWFLSA-N 1 0 322.424 2.303 20 10 DECDRO CC[C@@H]([NH2+]CC1(CO)COC1)c1ccc(C(F)(F)F)cc1O ZINC000810228668 646342308 /nfs/dbraw/zinc/34/23/08/646342308.db2.gz YOMFJVXYVRPALE-GFCCVEGCSA-N 1 0 319.323 2.461 20 10 DECDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000111416855 646424194 /nfs/dbraw/zinc/42/41/94/646424194.db2.gz PDKYHZMFVZLDIM-CYBMUJFWSA-N 1 0 311.813 2.281 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C[NH3+] ZINC000841101557 646545179 /nfs/dbraw/zinc/54/51/79/646545179.db2.gz VTRPHQGNSDYFKE-MWLCHTKSSA-N 1 0 313.785 2.371 20 10 DECDRO CC(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000157826605 646571079 /nfs/dbraw/zinc/57/10/79/646571079.db2.gz UGEZOYSMGMYGIF-KRWDZBQOSA-N 1 0 320.433 2.267 20 10 DECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000812043660 646604529 /nfs/dbraw/zinc/60/45/29/646604529.db2.gz ODNBRWYOJBNYDT-ZDUSSCGKSA-N 1 0 323.437 2.320 20 10 DECDRO C[C@H]([NH2+]C1COCCOC1)c1ccc(Br)cc1O ZINC000813879548 646818577 /nfs/dbraw/zinc/81/85/77/646818577.db2.gz NCYLXZLFVCLLTF-VIFPVBQESA-N 1 0 316.195 2.221 20 10 DECDRO COc1ccncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000814298485 646870635 /nfs/dbraw/zinc/87/06/35/646870635.db2.gz KQAXZPKFEXZHDO-UHFFFAOYSA-N 1 0 313.401 2.217 20 10 DECDRO Cc1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1N(C)C ZINC000815037896 646958537 /nfs/dbraw/zinc/95/85/37/646958537.db2.gz YUOPLAZQXIKCSY-OALUTQOASA-N 1 0 317.477 2.092 20 10 DECDRO CCNC(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816482691 647140536 /nfs/dbraw/zinc/14/05/36/647140536.db2.gz PCOJXQRLAONZIH-UHFFFAOYSA-N 1 0 313.401 2.393 20 10 DECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816549755 647150373 /nfs/dbraw/zinc/15/03/73/647150373.db2.gz XPCDIOWMPLTCMU-GFCCVEGCSA-N 1 0 307.415 2.458 20 10 DECDRO C[C@H](CNC(=O)NCc1c(O)cccc1F)C[NH+]1CCCC1 ZINC000914242991 647233331 /nfs/dbraw/zinc/23/33/31/647233331.db2.gz AWAXWQKHQLSMMQ-GFCCVEGCSA-N 1 0 309.385 2.062 20 10 DECDRO C[NH+]1CCN(c2ccc(NCc3cc(F)ccc3O)cn2)CC1 ZINC000817405260 647286965 /nfs/dbraw/zinc/28/69/65/647286965.db2.gz CKBXAOMKAQXAQP-UHFFFAOYSA-N 1 0 316.380 2.290 20 10 DECDRO CCCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C)CC1=O ZINC000817409675 647287220 /nfs/dbraw/zinc/28/72/20/647287220.db2.gz DQGJEPRGZSPIES-HNNXBMFYSA-N 1 0 303.450 2.409 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000817411427 647287718 /nfs/dbraw/zinc/28/77/18/647287718.db2.gz RKEIPOPQXRTWSQ-SHTZXODSSA-N 1 0 303.450 2.442 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCC[N@@H+]1C ZINC000817417328 647290371 /nfs/dbraw/zinc/29/03/71/647290371.db2.gz JYDCRKOGCLGWKJ-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO C[NH+](C)C1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000817659474 647338395 /nfs/dbraw/zinc/33/83/95/647338395.db2.gz UNRLDSXJKNRFGC-ONNFQVAWSA-N 1 0 304.390 2.100 20 10 DECDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817889348 647371761 /nfs/dbraw/zinc/37/17/61/647371761.db2.gz SSUCJHQKFNHMKM-YOEHRIQHSA-N 1 0 305.491 2.327 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnccc1N ZINC000817894211 647373874 /nfs/dbraw/zinc/37/38/74/647373874.db2.gz KWNIDZHJOUDMBX-AWEZNQCLSA-N 1 0 312.417 2.182 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000817900379 647377207 /nfs/dbraw/zinc/37/72/07/647377207.db2.gz SCHWRBDMCVWLCW-RTBURBONSA-N 1 0 315.461 2.143 20 10 DECDRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940257 647388311 /nfs/dbraw/zinc/38/83/11/647388311.db2.gz FBSIKVMKYSNZNP-QZTJIDSGSA-N 1 0 315.465 2.263 20 10 DECDRO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817942329 647389187 /nfs/dbraw/zinc/38/91/87/647389187.db2.gz OHHBZSSPTKHQCY-CVEARBPZSA-N 1 0 301.438 2.227 20 10 DECDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945998 647390738 /nfs/dbraw/zinc/39/07/38/647390738.db2.gz PMWUBKFVRVVQLG-GOEBONIOSA-N 1 0 321.440 2.455 20 10 DECDRO COCCNCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817964441 647394485 /nfs/dbraw/zinc/39/44/85/647394485.db2.gz CVYPAAJWEIDURW-SNVBAGLBSA-N 1 0 317.227 2.041 20 10 DECDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817984458 647400842 /nfs/dbraw/zinc/40/08/42/647400842.db2.gz TWAHGSOEIXVVFO-GDBMZVCRSA-N 1 0 321.440 2.455 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCOC2)c1O ZINC000818236985 647438681 /nfs/dbraw/zinc/43/86/81/647438681.db2.gz VYVZVTUIQYYRLF-SNVBAGLBSA-N 1 0 302.168 2.042 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000818608232 647487352 /nfs/dbraw/zinc/48/73/52/647487352.db2.gz USIZNPFEYLZNBV-MRXNPFEDSA-N 1 0 303.450 2.488 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000818607793 647487362 /nfs/dbraw/zinc/48/73/62/647487362.db2.gz CXGCQSJQIVJQKA-MRXNPFEDSA-N 1 0 303.450 2.489 20 10 DECDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964446 647550936 /nfs/dbraw/zinc/55/09/36/647550936.db2.gz WIOCVQMZFLCMOZ-OAHLLOKOSA-N 1 0 312.504 2.053 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000732278764 647557191 /nfs/dbraw/zinc/55/71/91/647557191.db2.gz ATOAPFJLKSPEOI-KRWDZBQOSA-N 1 0 301.434 2.170 20 10 DECDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820135905 647791405 /nfs/dbraw/zinc/79/14/05/647791405.db2.gz XGXZDXHNTJEECH-UHFFFAOYSA-N 1 0 305.382 2.263 20 10 DECDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC000820240336 647810196 /nfs/dbraw/zinc/81/01/96/647810196.db2.gz GDOVAJGJJGRNDV-SMDDNHRTSA-N 1 0 317.393 2.404 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000915927413 647818869 /nfs/dbraw/zinc/81/88/69/647818869.db2.gz LZDZATPVDYBTTQ-DOTOQJQBSA-N 1 0 316.449 2.179 20 10 DECDRO CN(C)c1ccc(CN(C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000917013931 647955457 /nfs/dbraw/zinc/95/54/57/647955457.db2.gz ITPIWIVLCXYIEV-IBGZPJMESA-N 1 0 317.477 2.174 20 10 DECDRO CO[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000822571118 648235429 /nfs/dbraw/zinc/23/54/29/648235429.db2.gz WASMNIXAMXKZQU-GOSISDBHSA-N 1 0 304.434 2.380 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822818095 648295571 /nfs/dbraw/zinc/29/55/71/648295571.db2.gz JSJBBWQYMQCQEE-FZMZJTMJSA-N 1 0 306.406 2.451 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824451231 648590984 /nfs/dbraw/zinc/59/09/84/648590984.db2.gz PEEJHEFZPDBZAE-ZDUSSCGKSA-N 1 0 320.389 2.065 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)F ZINC000824634571 648627581 /nfs/dbraw/zinc/62/75/81/648627581.db2.gz ATQNXQMQMRYLHU-GJZGRUSLSA-N 1 0 314.376 2.017 20 10 DECDRO COc1cc(O)c(C[NH2+]CC2(CF)CCOCC2)cc1OC ZINC000824795045 648654186 /nfs/dbraw/zinc/65/41/86/648654186.db2.gz MIOYWPVMNQRCDZ-UHFFFAOYSA-N 1 0 313.369 2.265 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1C ZINC000824914517 648671527 /nfs/dbraw/zinc/67/15/27/648671527.db2.gz SXJWHIIDMIMMNJ-OAHLLOKOSA-N 1 0 311.447 2.408 20 10 DECDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](C)O ZINC000824921777 648672609 /nfs/dbraw/zinc/67/26/09/648672609.db2.gz QWIINHIWYZFQAG-GZMMTYOYSA-N 1 0 318.211 2.412 20 10 DECDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000825005328 648683834 /nfs/dbraw/zinc/68/38/34/648683834.db2.gz HKDJRBHIKSZWCE-CYBMUJFWSA-N 1 0 323.393 2.225 20 10 DECDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000825045464 648691812 /nfs/dbraw/zinc/69/18/12/648691812.db2.gz FGEMYWXPZAFKGM-XJKSGUPXSA-N 1 0 305.353 2.275 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000825130844 648708089 /nfs/dbraw/zinc/70/80/89/648708089.db2.gz GUMLKDXCIJSXBW-WMZOPIPTSA-N 1 0 302.418 2.180 20 10 DECDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825379314 648751448 /nfs/dbraw/zinc/75/14/48/648751448.db2.gz NYCCSCMWYDXASV-GFCCVEGCSA-N 1 0 300.196 2.405 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825504651 648772220 /nfs/dbraw/zinc/77/22/20/648772220.db2.gz AQDVZOKSWKPIIF-OAHLLOKOSA-N 1 0 315.797 2.412 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000826019405 648839002 /nfs/dbraw/zinc/83/90/02/648839002.db2.gz FBHNMGHZSMWAAM-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826569927 648881071 /nfs/dbraw/zinc/88/10/71/648881071.db2.gz UQVDDMSXRUCXOI-GFCCVEGCSA-N 1 0 322.380 2.041 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C)C2)c1 ZINC000182426757 648902866 /nfs/dbraw/zinc/90/28/66/648902866.db2.gz NRCYJYCOMKUTLS-CHWSQXEVSA-N 1 0 306.406 2.310 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCc2ccco2)c1 ZINC000182460219 648914259 /nfs/dbraw/zinc/91/42/59/648914259.db2.gz AGHHWSDRQBJREP-CHWSQXEVSA-N 1 0 321.373 2.222 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000826868822 648940342 /nfs/dbraw/zinc/94/03/42/648940342.db2.gz XBXGCXPEZPNZSO-NRFANRHFSA-N 1 0 322.396 2.462 20 10 DECDRO [NH3+]Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000827004430 648959900 /nfs/dbraw/zinc/95/99/00/648959900.db2.gz HWWWLNGJISJUMT-UHFFFAOYSA-N 1 0 310.401 2.071 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827133566 648978306 /nfs/dbraw/zinc/97/83/06/648978306.db2.gz UWCYIWOFIHTFDL-GXFFZTMASA-N 1 0 324.808 2.155 20 10 DECDRO Cc1ccc(O)c(C[N@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000827519078 649045822 /nfs/dbraw/zinc/04/58/22/649045822.db2.gz JMDNJGCEHWINAH-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO CCc1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000827549536 649049731 /nfs/dbraw/zinc/04/97/31/649049731.db2.gz NDRJQBSBXWNHAR-KRWDZBQOSA-N 1 0 304.434 2.298 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827580119 649053220 /nfs/dbraw/zinc/05/32/20/649053220.db2.gz PTONQJNFERPYDT-MRVPVSSYSA-N 1 0 316.195 2.166 20 10 DECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000827812335 649089595 /nfs/dbraw/zinc/08/95/95/649089595.db2.gz JQYIAGVUGCNZCU-JLIMDTESSA-N 1 0 314.179 2.196 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000827839497 649092910 /nfs/dbraw/zinc/09/29/10/649092910.db2.gz SYOOKTPPQNHVAP-UHFFFAOYSA-N 1 0 312.369 2.058 20 10 DECDRO CCc1cccc(C[NH+]2CCN(c3nccn3C)CC2)c1O ZINC000827885225 649099514 /nfs/dbraw/zinc/09/95/14/649099514.db2.gz UNASLNVKABFCCO-UHFFFAOYSA-N 1 0 300.406 2.010 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3C)cc2)CC1 ZINC000828538094 649192485 /nfs/dbraw/zinc/19/24/85/649192485.db2.gz GINPYJPCSIYMKY-PBHICJAKSA-N 1 0 304.434 2.257 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000828988501 649256331 /nfs/dbraw/zinc/25/63/31/649256331.db2.gz TVBSOZCJSROBKR-UHFFFAOYSA-N 1 0 301.434 2.149 20 10 DECDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000829004045 649258041 /nfs/dbraw/zinc/25/80/41/649258041.db2.gz YLPXLECEJZJZLF-HZPDHXFCSA-N 1 0 318.417 2.027 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1F ZINC000829039370 649263854 /nfs/dbraw/zinc/26/38/54/649263854.db2.gz YVFSCAMJWYZKCS-OAHLLOKOSA-N 1 0 307.413 2.416 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1 ZINC000184885829 649404064 /nfs/dbraw/zinc/40/40/64/649404064.db2.gz DFEIRZJLGCEXNF-HOCLYGCPSA-N 1 0 322.449 2.408 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831180789 649549302 /nfs/dbraw/zinc/54/93/02/649549302.db2.gz RMOKZPRVOHBDOI-INIZCTEOSA-N 1 0 316.449 2.002 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C2CC2)C2CC2)cc1 ZINC000832267747 649690825 /nfs/dbraw/zinc/69/08/25/649690825.db2.gz ZYMRAVSPQODBCH-MRXNPFEDSA-N 1 0 301.434 2.305 20 10 DECDRO CC(C)c1n[nH]cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279209 649691833 /nfs/dbraw/zinc/69/18/33/649691833.db2.gz HBUJGOJYQAZHTD-OAHLLOKOSA-N 1 0 315.421 2.029 20 10 DECDRO CCc1onc(C)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279301 649691898 /nfs/dbraw/zinc/69/18/98/649691898.db2.gz IJNPLKUYJDEQNT-AWEZNQCLSA-N 1 0 316.405 2.041 20 10 DECDRO Cc1ccc(O)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832284809 649692392 /nfs/dbraw/zinc/69/23/92/649692392.db2.gz MTFXFVDQBCEXNQ-INIZCTEOSA-N 1 0 313.401 2.196 20 10 DECDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834491719 649806752 /nfs/dbraw/zinc/80/67/52/649806752.db2.gz FKRWYNQQDCGKJV-HOTGVXAUSA-N 1 0 304.434 2.326 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844314262 651110455 /nfs/dbraw/zinc/11/04/55/651110455.db2.gz YXBQNOMXKCALHJ-GXFFZTMASA-N 1 0 306.362 2.035 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCn2ccnc2C)cc1 ZINC000844400347 651122657 /nfs/dbraw/zinc/12/26/57/651122657.db2.gz AKXWYUCFXIYAJU-UHFFFAOYSA-N 1 0 302.422 2.268 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)OC(C)C)cc1 ZINC000844402447 651123510 /nfs/dbraw/zinc/12/35/10/651123510.db2.gz XNWHAKWSHKDTOG-UHFFFAOYSA-N 1 0 308.422 2.405 20 10 DECDRO CC(C)O[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000844719432 651160079 /nfs/dbraw/zinc/16/00/79/651160079.db2.gz ZATCHWWJTASEDI-CJNGLKHVSA-N 1 0 307.390 2.207 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844751841 651164950 /nfs/dbraw/zinc/16/49/50/651164950.db2.gz WBQYRYQFIXRGNO-HIFRSBDPSA-N 1 0 311.328 2.439 20 10 DECDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846015040 651301681 /nfs/dbraw/zinc/30/16/81/651301681.db2.gz BBTDTTWSHHFNHE-CRAIPNDOSA-N 1 0 306.450 2.410 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2c(C)cnn2C)cc1 ZINC000846051230 651304530 /nfs/dbraw/zinc/30/45/30/651304530.db2.gz CVQPBQCXSFCLBQ-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000846074396 651306576 /nfs/dbraw/zinc/30/65/76/651306576.db2.gz XADINKWJEPSCAR-QDLOVBKTSA-N 1 0 313.445 2.366 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)CCF)c1O ZINC000846099648 651307723 /nfs/dbraw/zinc/30/77/23/651307723.db2.gz HNRRFRCZZIYUIF-LLVKDONJSA-N 1 0 306.175 2.273 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCc2nnc3ccccn32)c1O ZINC000846138112 651310449 /nfs/dbraw/zinc/31/04/49/651310449.db2.gz SRVDJTDTBGGKSZ-LBPRGKRZSA-N 1 0 312.373 2.337 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000846141966 651310502 /nfs/dbraw/zinc/31/05/02/651310502.db2.gz OYJRZVIXBVKZKA-ZDUSSCGKSA-N 1 0 314.385 2.368 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000846162411 651312203 /nfs/dbraw/zinc/31/22/03/651312203.db2.gz GZLASMLCQVUWFQ-RYUDHWBXSA-N 1 0 313.419 2.019 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000846169911 651312498 /nfs/dbraw/zinc/31/24/98/651312498.db2.gz GWEVMYKAWVTEPY-QWRGUYRKSA-N 1 0 313.419 2.017 20 10 DECDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000846208307 651315235 /nfs/dbraw/zinc/31/52/35/651315235.db2.gz IEULDCFEJCNJAA-OCCSQVGLSA-N 1 0 314.376 2.033 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000846673976 651344908 /nfs/dbraw/zinc/34/49/08/651344908.db2.gz YURYCWHPMLYZSO-MRXNPFEDSA-N 1 0 301.434 2.293 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000846697935 651346620 /nfs/dbraw/zinc/34/66/20/651346620.db2.gz ZDSDXUFHPDSVPX-WMLDXEAASA-N 1 0 321.465 2.209 20 10 DECDRO CCN(CC)c1ccc(CN(C)C[C@@H](O)C[N@H+](C)CC)cc1 ZINC000846766490 651350366 /nfs/dbraw/zinc/35/03/66/651350366.db2.gz SRDYELDMXCQGKT-SFHVURJKSA-N 1 0 307.482 2.277 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000846959413 651364953 /nfs/dbraw/zinc/36/49/53/651364953.db2.gz IEQXPXCPTPPAQC-MRXNPFEDSA-N 1 0 303.450 2.489 20 10 DECDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000848301818 651450849 /nfs/dbraw/zinc/45/08/49/651450849.db2.gz LTTMHNGHQJSPOR-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000848552893 651470172 /nfs/dbraw/zinc/47/01/72/651470172.db2.gz PMMJBGMDYZBDMQ-UJNFCWOMSA-N 1 0 316.195 2.337 20 10 DECDRO CCc1cccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1O ZINC000848910458 651555881 /nfs/dbraw/zinc/55/58/81/651555881.db2.gz JJGSRIQYVCGUGT-QGZVFWFLSA-N 1 0 306.450 2.497 20 10 DECDRO CCc1cccc(CN2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)c1O ZINC000848914441 651558216 /nfs/dbraw/zinc/55/82/16/651558216.db2.gz MVYVCQFMGYSCJH-DLBZAZTESA-N 1 0 304.434 2.250 20 10 DECDRO CCN(CC)C(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044045 651593730 /nfs/dbraw/zinc/59/37/30/651593730.db2.gz QYHQVPJIPXUDRR-CQSZACIVSA-N 1 0 304.438 2.388 20 10 DECDRO COc1cc(C[NH2+][C@H]2CCC(=O)N(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850150305 651843635 /nfs/dbraw/zinc/84/36/35/651843635.db2.gz GRQYBFJZAJPKOU-ZDUSSCGKSA-N 1 0 320.433 2.409 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(C)c(C)[nH]3)C2)cc1 ZINC000850347298 651904999 /nfs/dbraw/zinc/90/49/99/651904999.db2.gz PZNIFCVDCDIBCT-AWEZNQCLSA-N 1 0 300.406 2.404 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(C)n3C)C2)cc1 ZINC000850347652 651905585 /nfs/dbraw/zinc/90/55/85/651905585.db2.gz VLHLVBWWQUWLLM-CQSZACIVSA-N 1 0 300.406 2.106 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347494 651905801 /nfs/dbraw/zinc/90/58/01/651905801.db2.gz SMWIVFVCDKZGQJ-NSNWQYSKSA-N 1 0 318.417 2.061 20 10 DECDRO CCC[C@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355467 651909087 /nfs/dbraw/zinc/90/90/87/651909087.db2.gz FJCZNACKZSJRJZ-HNNXBMFYSA-N 1 0 324.490 2.447 20 10 DECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406435 651922843 /nfs/dbraw/zinc/92/28/43/651922843.db2.gz GSWJQEZEZVOUHC-QAPCUYQASA-N 1 0 304.434 2.305 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000850474772 651935099 /nfs/dbraw/zinc/93/50/99/651935099.db2.gz QGMHLRNPEWQSCE-CABCVRRESA-N 1 0 301.438 2.262 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3nccn3C)C2)cc1 ZINC000850488897 651939037 /nfs/dbraw/zinc/93/90/37/651939037.db2.gz PBBCDUUZTHBPFH-UONOGXRCSA-N 1 0 300.406 2.358 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)ccc1O ZINC000850547850 651949764 /nfs/dbraw/zinc/94/97/64/651949764.db2.gz VTUYIZVFZJRENE-SCZZXKLOSA-N 1 0 313.195 2.084 20 10 DECDRO Cc1cc(CC[NH2+]CCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000857761265 652172612 /nfs/dbraw/zinc/17/26/12/652172612.db2.gz OBLUDQKBBWTSPJ-UHFFFAOYSA-N 1 0 320.458 2.271 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000851632275 652193577 /nfs/dbraw/zinc/19/35/77/652193577.db2.gz KUBUFJDMCPUMLF-UHFFFAOYSA-N 1 0 301.434 2.339 20 10 DECDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851679832 652205523 /nfs/dbraw/zinc/20/55/23/652205523.db2.gz DWIRPQNZCJSJQQ-AWEZNQCLSA-N 1 0 306.454 2.281 20 10 DECDRO CC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000115786205 652236443 /nfs/dbraw/zinc/23/64/43/652236443.db2.gz DGGJIVWXMPAJFG-UHFFFAOYSA-N 1 0 318.465 2.345 20 10 DECDRO COCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000858168895 652270365 /nfs/dbraw/zinc/27/03/65/652270365.db2.gz GSCPNMDZWKXLOM-UHFFFAOYSA-N 1 0 314.376 2.316 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000858205893 652278726 /nfs/dbraw/zinc/27/87/26/652278726.db2.gz IQUVSZDLUPCCBW-QGZVFWFLSA-N 1 0 304.434 2.430 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000858289769 652297872 /nfs/dbraw/zinc/29/78/72/652297872.db2.gz PPSOFDFINHOPNP-PBHICJAKSA-N 1 0 300.358 2.421 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c(O)c1 ZINC000858343371 652313251 /nfs/dbraw/zinc/31/32/51/652313251.db2.gz YZJIUJKJYOCPFA-HNNXBMFYSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1N(C)C ZINC000852498081 652410758 /nfs/dbraw/zinc/41/07/58/652410758.db2.gz YVTKQOHASRAZQF-HZPDHXFCSA-N 1 0 301.434 2.162 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000852631037 652430093 /nfs/dbraw/zinc/43/00/93/652430093.db2.gz GBFKWAHHPFOGQN-CHWSQXEVSA-N 1 0 321.421 2.245 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000852791989 652457810 /nfs/dbraw/zinc/45/78/10/652457810.db2.gz ONLMPBDLYDMCGV-RKTXRCNFSA-N 1 0 301.434 2.305 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)CCCCCC[NH3+])C2)cc1 ZINC000852843830 652468183 /nfs/dbraw/zinc/46/81/83/652468183.db2.gz IBIXZGQXDKKIPK-OAHLLOKOSA-N 1 0 319.449 2.299 20 10 DECDRO Nc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000852926800 652480723 /nfs/dbraw/zinc/48/07/23/652480723.db2.gz GPPXQBPSAREVNP-INIZCTEOSA-N 1 0 301.434 2.050 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]2N1 ZINC000853558196 652567711 /nfs/dbraw/zinc/56/77/11/652567711.db2.gz OUTUYBMKUNMGTI-WBVHZDCISA-N 1 0 314.429 2.372 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000854245068 652664387 /nfs/dbraw/zinc/66/43/87/652664387.db2.gz BGBAHNBZZUWUCE-CQSZACIVSA-N 1 0 305.422 2.406 20 10 DECDRO COc1ccc(O)c(C[N@H+](CCO)CCc2ccccc2)c1 ZINC000305777352 685299251 /nfs/dbraw/zinc/29/92/51/685299251.db2.gz PNAWWBNMKHMHAN-UHFFFAOYSA-N 1 0 301.386 2.438 20 10 DECDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000858601329 685566296 /nfs/dbraw/zinc/56/62/96/685566296.db2.gz FEPCYZRLDRJLDS-ZFWWWQNUSA-N 1 0 300.402 2.263 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602980 685567070 /nfs/dbraw/zinc/56/70/70/685567070.db2.gz OISDFZPOIKALBD-XHDPSFHLSA-N 1 0 304.390 2.205 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000130012807 684184420 /nfs/dbraw/zinc/18/44/20/684184420.db2.gz BPCIBFWTRBTUSG-UHFFFAOYSA-N 1 0 319.493 2.421 20 10 DECDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000194085085 685055710 /nfs/dbraw/zinc/05/57/10/685055710.db2.gz SQZAMTGMNZQNOZ-UHFFFAOYSA-N 1 0 319.449 2.074 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000861620826 686160435 /nfs/dbraw/zinc/16/04/35/686160435.db2.gz OFDBFJQQOIHROR-UMVBOHGHSA-N 1 0 304.438 2.253 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000861621148 686160586 /nfs/dbraw/zinc/16/05/86/686160586.db2.gz YCDZQRBGTRFUHZ-CZUORRHYSA-N 1 0 316.449 2.397 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862475623 686308441 /nfs/dbraw/zinc/30/84/41/686308441.db2.gz QTQAQRXRXMNXGC-SFHVURJKSA-N 1 0 315.369 2.309 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@H](O)CO2 ZINC000863294551 686470027 /nfs/dbraw/zinc/47/00/27/686470027.db2.gz HYCGGJOJFWKMEK-TYNCELHUSA-N 1 0 307.415 2.288 20 10 DECDRO COC(=O)/C=C(\C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929971234 694061613 /nfs/dbraw/zinc/06/16/13/694061613.db2.gz NXAQZRDITBNDIJ-DKGMDFAASA-N 1 0 319.401 2.493 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000865051005 686926318 /nfs/dbraw/zinc/92/63/18/686926318.db2.gz GSYINBDPNKPVJS-DZGCQCFKSA-N 1 0 307.413 2.238 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000865780797 687332104 /nfs/dbraw/zinc/33/21/04/687332104.db2.gz ARKAXTVRSLYDLM-KRWDZBQOSA-N 1 0 304.434 2.428 20 10 DECDRO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016370196 687604788 /nfs/dbraw/zinc/60/47/88/687604788.db2.gz ZFUVXHSJJJGAGM-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2CCCCC2)cc1 ZINC000866757559 687677293 /nfs/dbraw/zinc/67/72/93/687677293.db2.gz YQRSFCKTVGRGBZ-INIZCTEOSA-N 1 0 304.438 2.384 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868355886 687988739 /nfs/dbraw/zinc/98/87/39/687988739.db2.gz SMBZINNPGMDHEO-OLZOCXBDSA-N 1 0 303.406 2.237 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383841 687997607 /nfs/dbraw/zinc/99/76/07/687997607.db2.gz YREPPPJOYQKOOU-RWMBFGLXSA-N 1 0 303.406 2.378 20 10 DECDRO Cc1cc(F)ncc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000870933786 688690379 /nfs/dbraw/zinc/69/03/79/688690379.db2.gz XEWFCWRYXXYHCP-HNNXBMFYSA-N 1 0 316.380 2.025 20 10 DECDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988725 688704954 /nfs/dbraw/zinc/70/49/54/688704954.db2.gz XUJGFGZDDDFKJU-YLVFBTJISA-N 1 0 306.406 2.102 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CCCO)cc1Cn1cccn1 ZINC000873130179 689165751 /nfs/dbraw/zinc/16/57/51/689165751.db2.gz ZXVMNFNXHJCPGO-OAHLLOKOSA-N 1 0 317.433 2.438 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)cc1Cn1cccn1 ZINC000873139131 689168313 /nfs/dbraw/zinc/16/83/13/689168313.db2.gz VJCIRKJEOGXEKT-SJORKVTESA-N 1 0 301.390 2.207 20 10 DECDRO CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC000873227230 689188907 /nfs/dbraw/zinc/18/89/07/689188907.db2.gz IFVBFVDTHSHEGF-DGCLKSJQSA-N 1 0 318.339 2.360 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000875094111 689570881 /nfs/dbraw/zinc/57/08/81/689570881.db2.gz YBINRKISBVKZTL-MGPQQGTHSA-N 1 0 303.406 2.379 20 10 DECDRO OCCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876565659 689859109 /nfs/dbraw/zinc/85/91/09/689859109.db2.gz YEGQYAJFTZCUHW-UHFFFAOYSA-N 1 0 318.461 2.242 20 10 DECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571773 689861518 /nfs/dbraw/zinc/86/15/18/689861518.db2.gz QAQNZLHUXRBXBH-UXONFWTHSA-N 1 0 301.346 2.040 20 10 DECDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876630416 689882078 /nfs/dbraw/zinc/88/20/78/689882078.db2.gz YYUDJCZLMVQJML-UHFFFAOYSA-N 1 0 320.433 2.065 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)ccc21 ZINC000876739536 689923252 /nfs/dbraw/zinc/92/32/52/689923252.db2.gz JOQXFDJHMQTGQJ-GDBMZVCRSA-N 1 0 301.434 2.059 20 10 DECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000876766792 689931011 /nfs/dbraw/zinc/93/10/11/689931011.db2.gz SGLQDIZQSQUVGH-GDBMZVCRSA-N 1 0 311.447 2.488 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CSC)cc1C ZINC001034849499 689963798 /nfs/dbraw/zinc/96/37/98/689963798.db2.gz HTNZRBJESLHJGM-OAHLLOKOSA-N 1 0 322.474 2.447 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000876920380 689972949 /nfs/dbraw/zinc/97/29/49/689972949.db2.gz PGVYCTLITZOVGT-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C1CC1 ZINC000877023994 690000804 /nfs/dbraw/zinc/00/08/04/690000804.db2.gz MYWSWFZCMLQUEB-HNNXBMFYSA-N 1 0 317.477 2.220 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(C)n1-c1ccccn1 ZINC000877052847 690007958 /nfs/dbraw/zinc/00/79/58/690007958.db2.gz XKFXGVJSIBSAKE-WFASDCNBSA-N 1 0 312.417 2.359 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000877094068 690016519 /nfs/dbraw/zinc/01/65/19/690016519.db2.gz GJRPPGALWIAPAX-UHFFFAOYSA-N 1 0 317.410 2.320 20 10 DECDRO CC1([NH+]2CCCC2)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000877145821 690029556 /nfs/dbraw/zinc/02/95/56/690029556.db2.gz DHUWCIKBUOIYPW-UHFFFAOYSA-N 1 0 301.434 2.288 20 10 DECDRO C[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCOC1 ZINC000877162445 690035205 /nfs/dbraw/zinc/03/52/05/690035205.db2.gz GWBUTGKOYIYXHP-GOSISDBHSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c(O)c1 ZINC000877483343 690127191 /nfs/dbraw/zinc/12/71/91/690127191.db2.gz MLYAWUQPJKMJIP-MRXNPFEDSA-N 1 0 317.433 2.278 20 10 DECDRO OC1CCN(c2ccc(CN3CCOCC34CC4)cc2)CC1 ZINC000877504827 690134147 /nfs/dbraw/zinc/13/41/47/690134147.db2.gz SGLUEXFABFRERT-UHFFFAOYSA-N 1 0 302.418 2.013 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000877518526 690138419 /nfs/dbraw/zinc/13/84/19/690138419.db2.gz UWIPJLWDVUTBHG-MRXNPFEDSA-N 1 0 317.433 2.470 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c(cn2)OCCO3)c1 ZINC000877533044 690143422 /nfs/dbraw/zinc/14/34/22/690143422.db2.gz KBIRKVIIIFJXIB-NSHDSACASA-N 1 0 316.357 2.418 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000877543419 690146360 /nfs/dbraw/zinc/14/63/60/690146360.db2.gz ALUQGPJVSAROSD-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877579691 690157429 /nfs/dbraw/zinc/15/74/29/690157429.db2.gz YCWPKYVXYSAQKM-UHFFFAOYSA-N 1 0 305.466 2.078 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3snnc3C)C2)cc1 ZINC000877597882 690163097 /nfs/dbraw/zinc/16/30/97/690163097.db2.gz BPGBEMGRZBUZKB-CYBMUJFWSA-N 1 0 318.446 2.471 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1CO ZINC000877646626 690178665 /nfs/dbraw/zinc/17/86/65/690178665.db2.gz JZTGHUDBSKHFKI-DOTOQJQBSA-N 1 0 318.461 2.098 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc(C)cc2O)CCCOC1 ZINC000877698057 690195748 /nfs/dbraw/zinc/19/57/48/690195748.db2.gz GNFOQOGCGITFBZ-KRWDZBQOSA-N 1 0 307.390 2.150 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000877801062 690235320 /nfs/dbraw/zinc/23/53/20/690235320.db2.gz YYGQXVSIJQEUJD-UHFFFAOYSA-N 1 0 306.450 2.100 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCO[C@@H]3C)CC2)cc1F ZINC000878180969 690337030 /nfs/dbraw/zinc/33/70/30/690337030.db2.gz JOAAYGDTWIWLQN-ZIAGYGMSSA-N 1 0 308.397 2.381 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCCC2)c1 ZINC000878360321 690388055 /nfs/dbraw/zinc/38/80/55/690388055.db2.gz KOABAWWQCBCONU-STQMWFEESA-N 1 0 309.406 2.108 20 10 DECDRO CSC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000879099926 690568359 /nfs/dbraw/zinc/56/83/59/690568359.db2.gz WSISXDRQXCYBPE-UHFFFAOYSA-N 1 0 321.490 2.196 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000879650338 690699240 /nfs/dbraw/zinc/69/92/40/690699240.db2.gz VPJPFMPDRYAASL-STQMWFEESA-N 1 0 324.421 2.271 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccccc1O ZINC000879648583 690699429 /nfs/dbraw/zinc/69/94/29/690699429.db2.gz VCFYWXOZLNVMMW-LLVKDONJSA-N 1 0 318.398 2.103 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061123 691006264 /nfs/dbraw/zinc/00/62/64/691006264.db2.gz PKNCRJDKINBBFY-CQSZACIVSA-N 1 0 317.393 2.309 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061121 691006431 /nfs/dbraw/zinc/00/64/31/691006431.db2.gz PKNCRJDKINBBFY-AWEZNQCLSA-N 1 0 317.393 2.309 20 10 DECDRO CC(C)[NH+]1CCC(CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000881334341 691074962 /nfs/dbraw/zinc/07/49/62/691074962.db2.gz PBYWJUPNZUWIOH-UHFFFAOYSA-N 1 0 324.396 2.477 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(F)(F)F)cc2)CC1 ZINC000881850397 691173778 /nfs/dbraw/zinc/17/37/78/691173778.db2.gz UCPDKXYJMTUBOE-UHFFFAOYSA-N 1 0 315.339 2.007 20 10 DECDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931621999 694441842 /nfs/dbraw/zinc/44/18/42/694441842.db2.gz MVPNFDLYKXGNIG-RTBURBONSA-N 1 0 315.461 2.192 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1Cn1cccn1 ZINC000883262124 691468066 /nfs/dbraw/zinc/46/80/66/691468066.db2.gz XLCADWPLZOXNEF-JCNLHEQBSA-N 1 0 315.417 2.455 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1O ZINC000886341026 692061506 /nfs/dbraw/zinc/06/15/06/692061506.db2.gz OMRWFTALVTTWPQ-BWQRHGBYSA-N 1 0 321.417 2.463 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cnnn3C)C2)cc1 ZINC000926612720 693478888 /nfs/dbraw/zinc/47/88/88/693478888.db2.gz RPRUXORKNVIIKA-KGLIPLIRSA-N 1 0 315.421 2.001 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000927132733 693558863 /nfs/dbraw/zinc/55/88/63/693558863.db2.gz WPYCSBHRKOWIPN-QMTHXVAHSA-N 1 0 309.797 2.472 20 10 DECDRO CCOc1ccc(N2CCN(C[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001332695848 1149881250 /nfs/dbraw/zinc/88/12/50/1149881250.db2.gz SBHZLUKNQWYFBV-QGZVFWFLSA-N 1 0 303.450 2.302 20 10 DECDRO C[C@@H](NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1O ZINC001346584087 1151006294 /nfs/dbraw/zinc/00/62/94/1151006294.db2.gz JPYAFRQKCXPNHV-SRCQZFHVSA-N 1 0 303.406 2.285 20 10 DECDRO COc1ccc(N2CCC(Nc3nccnc3C[NH3+])CC2)cc1 ZINC001347970020 1151110807 /nfs/dbraw/zinc/11/08/07/1151110807.db2.gz TXWJWPODYCRQFA-UHFFFAOYSA-N 1 0 313.405 2.025 20 10 DECDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001348022027 1151114283 /nfs/dbraw/zinc/11/42/83/1151114283.db2.gz YALMLIHYISCLDT-FNORWQNLSA-N 1 0 304.390 2.102 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3O)[C@@H]2C1 ZINC001348312890 1151144258 /nfs/dbraw/zinc/14/42/58/1151144258.db2.gz YPGVNIVRTBMJMA-OUCADQQQSA-N 1 0 323.824 2.185 20 10 DECDRO C[C@H](NC(=O)c1ncoc1C1CC[NH2+]CC1)c1ccccc1O ZINC001354536178 1151901714 /nfs/dbraw/zinc/90/17/14/1151901714.db2.gz MSRBTIIVUFGMEM-NSHDSACASA-N 1 0 315.373 2.338 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)c1ccccc1O ZINC001347233667 1151050124 /nfs/dbraw/zinc/05/01/24/1151050124.db2.gz OPGJECSRYNGTLL-RJZRQDKASA-N 1 0 303.406 2.093 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCCC34COC4)cc2)CC1 ZINC001140284968 777012752 /nfs/dbraw/zinc/01/27/52/777012752.db2.gz AMMZFEXOCGKRRK-UHFFFAOYSA-N 1 0 302.418 2.013 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3c(F)ccnc3N)cc2)CC1 ZINC001167431236 777026667 /nfs/dbraw/zinc/02/66/67/777026667.db2.gz NUHBNKZBHBYXBP-UHFFFAOYSA-N 1 0 315.396 2.167 20 10 DECDRO CCc1ncncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167437199 777043098 /nfs/dbraw/zinc/04/30/98/777043098.db2.gz OVULGKTXEVHNSV-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000693485597 777210002 /nfs/dbraw/zinc/21/00/02/777210002.db2.gz GSPFPAUNPQCKLL-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001144509092 790940701 /nfs/dbraw/zinc/94/07/01/790940701.db2.gz KRLKTZXTJDGZBB-CQSZACIVSA-N 1 0 316.357 2.242 20 10 DECDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509079 790940934 /nfs/dbraw/zinc/94/09/34/790940934.db2.gz KJIRUBJUSJOUBC-LBPRGKRZSA-N 1 0 309.362 2.110 20 10 DECDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691415991 784586086 /nfs/dbraw/zinc/58/60/86/784586086.db2.gz RVLOMLMLWYGRKL-JQWIXIFHSA-N 1 0 300.196 2.405 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169009960 785001740 /nfs/dbraw/zinc/00/17/40/785001740.db2.gz YVZSGZXDPDQQCM-HOCLYGCPSA-N 1 0 319.405 2.263 20 10 DECDRO CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001169552350 785236870 /nfs/dbraw/zinc/23/68/70/785236870.db2.gz OLSNJLLTCFBYRI-GOSISDBHSA-N 1 0 301.434 2.339 20 10 DECDRO OCCCSCC[NH2+]Cc1ccc(Br)cc1O ZINC000691439930 785539879 /nfs/dbraw/zinc/53/98/79/785539879.db2.gz LZCKEXLVSDJXOF-UHFFFAOYSA-N 1 0 320.252 2.360 20 10 DECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691440430 785539913 /nfs/dbraw/zinc/53/99/13/785539913.db2.gz QHMXVJWHWKMVJQ-QPUJVOFHSA-N 1 0 320.252 2.357 20 10 DECDRO CC[C@@H](C)[C@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130514759 787415769 /nfs/dbraw/zinc/41/57/69/787415769.db2.gz DXCLURPHFNIQEA-DYVFJYSZSA-N 1 0 322.449 2.271 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CCO[C@@H]2C)cc1C ZINC001131693823 787691523 /nfs/dbraw/zinc/69/15/23/787691523.db2.gz SWTJGYCRXDVSNL-KDOFPFPSSA-N 1 0 320.433 2.025 20 10 DECDRO COc1cc(C(=O)N[C@H](C)CCCC[NH2+]C(C)C)cc(OC)n1 ZINC001171676670 793166753 /nfs/dbraw/zinc/16/67/53/793166753.db2.gz MAJXTQISOLRBCH-CYBMUJFWSA-N 1 0 323.437 2.385 20 10 DECDRO CCCOC1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001173087081 793578132 /nfs/dbraw/zinc/57/81/32/793578132.db2.gz ZUBIMDOLNXDECV-KVULBXGLSA-N 1 0 309.406 2.459 20 10 DECDRO COCC(C)(C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117722843 795099624 /nfs/dbraw/zinc/09/96/24/795099624.db2.gz KEPPSQJYWOJQNY-UHFFFAOYSA-N 1 0 323.456 2.434 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2([S@](C)=O)CCC2)cc1F ZINC001118859444 795233948 /nfs/dbraw/zinc/23/39/48/795233948.db2.gz JEBRYRQGQXQJGA-NRFANRHFSA-N 1 0 316.417 2.422 20 10 DECDRO CCCNC(=O)C[N@H+](CCC)Cc1c(C)cc(OC)cc1O ZINC001180166737 795253832 /nfs/dbraw/zinc/25/38/32/795253832.db2.gz SMXLBRPZQAJWEU-UHFFFAOYSA-N 1 0 308.422 2.447 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119203440 795272209 /nfs/dbraw/zinc/27/22/09/795272209.db2.gz CLCYNJHPQLGAGH-LSDHHAIUSA-N 1 0 303.406 2.290 20 10 DECDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(O)cc1O ZINC001204281864 795375474 /nfs/dbraw/zinc/37/54/74/795375474.db2.gz YBLMSBRBBDOADM-PJODQICGSA-N 1 0 305.374 2.261 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CSCCS2)c(O)c1OC ZINC001120035622 795395865 /nfs/dbraw/zinc/39/58/65/795395865.db2.gz YTCPTDNHBILTOA-NSHDSACASA-N 1 0 315.460 2.348 20 10 DECDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC001120059096 795399951 /nfs/dbraw/zinc/39/99/51/795399951.db2.gz DKXPYGPLPVOMLY-UHFFFAOYSA-N 1 0 318.373 2.145 20 10 DECDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206445697 795451622 /nfs/dbraw/zinc/45/16/22/795451622.db2.gz PYLOGYGFOXTJJG-UWVGGRQHSA-N 1 0 308.275 2.162 20 10 DECDRO COCC1C[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338329 796199071 /nfs/dbraw/zinc/19/90/71/796199071.db2.gz OJGZDZXVQUHDBE-UHFFFAOYSA-N 1 0 302.418 2.169 20 10 DECDRO C[NH+](C)CCC[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336690 796199116 /nfs/dbraw/zinc/19/91/16/796199116.db2.gz WAKLUDLIRJGBPF-UHFFFAOYSA-N 1 0 317.477 2.475 20 10 DECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338747 796200469 /nfs/dbraw/zinc/20/04/69/796200469.db2.gz VFYFEWIRQFRJPV-CJNGLKHVSA-N 1 0 316.445 2.436 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354542 796203719 /nfs/dbraw/zinc/20/37/19/796203719.db2.gz MWFFGPDFRRISEQ-MRXNPFEDSA-N 1 0 302.418 2.454 20 10 DECDRO CC(=O)N1CCN(Cc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC001138356098 796204658 /nfs/dbraw/zinc/20/46/58/796204658.db2.gz HMTUJQCCZGFLHS-AWEZNQCLSA-N 1 0 301.434 2.122 20 10 DECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358527 796205664 /nfs/dbraw/zinc/20/56/64/796205664.db2.gz UPVXREIUAASAQP-INIZCTEOSA-N 1 0 302.418 2.454 20 10 DECDRO CC(C)CNC(=O)C[NH2+]Cc1cc(Br)ccc1O ZINC000225814509 796264493 /nfs/dbraw/zinc/26/44/93/796264493.db2.gz NCDPUABAUAYYMR-UHFFFAOYSA-N 1 0 315.211 2.017 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC2(COC2)C1 ZINC001139124583 796326115 /nfs/dbraw/zinc/32/61/15/796326115.db2.gz CKEFCNAVPIHPMC-UHFFFAOYSA-N 1 0 315.369 2.419 20 10 DECDRO COc1cc(CN2CC3(C2)CCOCC3)cc(C[NH+](C)C)c1O ZINC001139256687 796349727 /nfs/dbraw/zinc/34/97/27/796349727.db2.gz HFKPCDPJXJIORM-UHFFFAOYSA-N 1 0 320.433 2.075 20 10 DECDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054436 796470834 /nfs/dbraw/zinc/47/08/34/796470834.db2.gz QERFRRNOIKLJFE-CQSZACIVSA-N 1 0 306.381 2.222 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@]34CCOC4)cc2)CC1 ZINC001140287358 796502767 /nfs/dbraw/zinc/50/27/67/796502767.db2.gz QPFVAVGGJCOHEH-GOSISDBHSA-N 1 0 302.418 2.013 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140288536 796502778 /nfs/dbraw/zinc/50/27/78/796502778.db2.gz VTTWOQVEWNHKNG-QFBILLFUSA-N 1 0 316.445 2.259 20 10 DECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662556 796553193 /nfs/dbraw/zinc/55/31/93/796553193.db2.gz YMOJNDZONZUSSP-MRXNPFEDSA-N 1 0 308.397 2.273 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c(O)c1 ZINC001140857745 796585483 /nfs/dbraw/zinc/58/54/83/796585483.db2.gz YSLFVJCOODXIFC-KRWDZBQOSA-N 1 0 319.449 2.291 20 10 DECDRO COCC[NH+]1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140922573 796597160 /nfs/dbraw/zinc/59/71/60/796597160.db2.gz UYUTYGKYQWILMD-UHFFFAOYSA-N 1 0 311.857 2.170 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028810 796620701 /nfs/dbraw/zinc/62/07/01/796620701.db2.gz ARKAJMYFMFWYMM-QGZVFWFLSA-N 1 0 323.389 2.185 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029326 796620843 /nfs/dbraw/zinc/62/08/43/796620843.db2.gz PRFLWHLODVBAPH-VXGBXAGGSA-N 1 0 323.389 2.040 20 10 DECDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141159072 796642540 /nfs/dbraw/zinc/64/25/40/796642540.db2.gz XTRVEQPFALMWLI-QGZVFWFLSA-N 1 0 304.390 2.075 20 10 DECDRO Oc1ccc(O)c(CN2CCO[C@@H](COc3ccccc3)C2)c1 ZINC001141161724 796642875 /nfs/dbraw/zinc/64/28/75/796642875.db2.gz VNGLCMGBJKNMGH-QGZVFWFLSA-N 1 0 315.369 2.378 20 10 DECDRO Oc1ccc(O)c(CN2CCO[C@H](COc3ccccc3)C2)c1 ZINC001141161723 796643210 /nfs/dbraw/zinc/64/32/10/796643210.db2.gz VNGLCMGBJKNMGH-KRWDZBQOSA-N 1 0 315.369 2.378 20 10 DECDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141163128 796644424 /nfs/dbraw/zinc/64/44/24/796644424.db2.gz QGFCXHQQRQRHCZ-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1C[NH+](C)C1 ZINC001142605362 796752777 /nfs/dbraw/zinc/75/27/77/796752777.db2.gz YFDJKZMZFIHDEB-INIZCTEOSA-N 1 0 302.418 2.310 20 10 DECDRO O=C(c1ccc2c[nH+]cn2c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001152198645 797156282 /nfs/dbraw/zinc/15/62/82/797156282.db2.gz PBSCTHZXKYKKNY-UHFFFAOYSA-N 1 0 323.352 2.334 20 10 DECDRO Oc1ccccc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001203551300 800077180 /nfs/dbraw/zinc/07/71/80/800077180.db2.gz BBPPFIGGDLREEC-UHFFFAOYSA-N 1 0 312.417 2.200 20 10 DECDRO O=C1N(c2cccnc2)CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203556977 800077913 /nfs/dbraw/zinc/07/79/13/800077913.db2.gz YJUNSECGZCVPNP-UHFFFAOYSA-N 1 0 323.396 2.416 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560838 800080582 /nfs/dbraw/zinc/08/05/82/800080582.db2.gz HJDUVUSURBDXDM-KGLIPLIRSA-N 1 0 304.390 2.443 20 10 DECDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203592718 800086604 /nfs/dbraw/zinc/08/66/04/800086604.db2.gz XHKJGEXAVHSGGQ-AEFFLSMTSA-N 1 0 321.417 2.418 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)c1O ZINC001203614365 800089991 /nfs/dbraw/zinc/08/99/91/800089991.db2.gz ZDHZIOOMXPXEDP-JSGCOSHPSA-N 1 0 307.390 2.422 20 10 DECDRO CCO[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)[C@@H]2CCCO[C@H]12 ZINC001203621628 800091123 /nfs/dbraw/zinc/09/11/23/800091123.db2.gz FHMORWCIMUWKSU-OIISXLGYSA-N 1 0 307.390 2.169 20 10 DECDRO CN1CC2(C1)CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203649916 800099299 /nfs/dbraw/zinc/09/92/99/800099299.db2.gz JQJNAVRGMILDPK-UHFFFAOYSA-N 1 0 311.223 2.292 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC001203937181 800149180 /nfs/dbraw/zinc/14/91/80/800149180.db2.gz ONTSGIYJCQCUCE-OAHLLOKOSA-N 1 0 308.447 2.233 20 10 DECDRO CCN(CC)c1ccc(CN2CCOC[C@@H]2C[NH+](C)C)cc1 ZINC001203942895 800149326 /nfs/dbraw/zinc/14/93/26/800149326.db2.gz XKMRAVGTTQQPGE-SFHVURJKSA-N 1 0 305.466 2.295 20 10 DECDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274101 800197661 /nfs/dbraw/zinc/19/76/61/800197661.db2.gz IKSDCEYMZGNLDV-SFHVURJKSA-N 1 0 310.353 2.194 20 10 DECDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204346715 800207034 /nfs/dbraw/zinc/20/70/34/800207034.db2.gz WUTOXHCYHCKWLL-ZDUSSCGKSA-N 1 0 323.389 2.272 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934263144 800303509 /nfs/dbraw/zinc/30/35/09/800303509.db2.gz BITVZLKARFUSBC-RBUKOAKNSA-N 1 0 317.477 2.174 20 10 DECDRO COc1cc(O)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Cl ZINC001205777124 800417914 /nfs/dbraw/zinc/41/79/14/800417914.db2.gz AJNZBPNKVQNQBZ-JTQLQIEISA-N 1 0 320.767 2.470 20 10 DECDRO COc1cc(O)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205789333 800420938 /nfs/dbraw/zinc/42/09/38/800420938.db2.gz YFNJVDKLTMVOJO-SECBINFHSA-N 1 0 320.767 2.470 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206361232 800517953 /nfs/dbraw/zinc/51/79/53/800517953.db2.gz GUCJIMZMDPXLGT-QGZVFWFLSA-N 1 0 309.429 2.414 20 10 DECDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206444944 800534126 /nfs/dbraw/zinc/53/41/26/800534126.db2.gz MLAQOMQCTIEGOE-GHMZBOCLSA-N 1 0 322.302 2.204 20 10 DECDRO COCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207032113 800662919 /nfs/dbraw/zinc/66/29/19/800662919.db2.gz NEHFSELXRVAWAS-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO COCCOc1ccc(N2CC[NH+](C[C@H]3C[C@@H]3C)CC2)cc1 ZINC001209433829 801192030 /nfs/dbraw/zinc/19/20/30/801192030.db2.gz VORBSGLRLPOWLY-JKSUJKDBSA-N 1 0 304.434 2.490 20 10 DECDRO COCC1C[NH+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231547361 801680970 /nfs/dbraw/zinc/68/09/70/801680970.db2.gz DZKAVZAOYLWAFS-UHFFFAOYSA-N 1 0 316.195 2.242 20 10 DECDRO C[C@]1(CO)C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001231587013 801690302 /nfs/dbraw/zinc/69/03/02/801690302.db2.gz POANRMMZOVRUTP-QZTJIDSGSA-N 1 0 301.386 2.111 20 10 DECDRO Cc1cccc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1O ZINC001231591596 801690745 /nfs/dbraw/zinc/69/07/45/801690745.db2.gz GIJQSRMGYJMCJO-HNNXBMFYSA-N 1 0 314.433 2.091 20 10 DECDRO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cccc(C)c2O)C1 ZINC001231593336 801692087 /nfs/dbraw/zinc/69/20/87/801692087.db2.gz URHXQNGXVRRRBC-AWEZNQCLSA-N 1 0 301.390 2.176 20 10 DECDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594344 801692361 /nfs/dbraw/zinc/69/23/61/801692361.db2.gz BUAQGFCYNHWEAS-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cc(CN2CC[NH+](CC3CCCC3)CC2)c(O)cc1O ZINC001231635048 801699964 /nfs/dbraw/zinc/69/99/64/801699964.db2.gz DJCBDHIMQOEYQN-UHFFFAOYSA-N 1 0 320.433 2.414 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(O)cc1O ZINC001231637129 801700048 /nfs/dbraw/zinc/70/00/48/801700048.db2.gz FIYFBEYPWVJBMB-CQSZACIVSA-N 1 0 315.316 2.107 20 10 DECDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(O)cc1O ZINC001231636017 801700121 /nfs/dbraw/zinc/70/01/21/801700121.db2.gz OGIFJZMRAPQONU-CQSZACIVSA-N 1 0 306.406 2.167 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231637582 801701559 /nfs/dbraw/zinc/70/15/59/801701559.db2.gz NIHMKYTVTSYQGO-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(O)cc1O ZINC001231638233 801702364 /nfs/dbraw/zinc/70/23/64/801702364.db2.gz WWKCRLIQGPXVPM-UHFFFAOYSA-N 1 0 317.341 2.467 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001231854478 801739307 /nfs/dbraw/zinc/73/93/07/801739307.db2.gz HLEKXWHQSNJQNA-WBVHZDCISA-N 1 0 303.450 2.430 20 10 DECDRO O=C1[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]2CN1CC1CC1 ZINC001231910425 801749235 /nfs/dbraw/zinc/74/92/35/801749235.db2.gz PHBXKHBVKLNZMM-KBPBESRZSA-N 1 0 320.820 2.346 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)cc1Cl ZINC001232258546 801832052 /nfs/dbraw/zinc/83/20/52/801832052.db2.gz AMPNMTHCENWVCQ-CQSZACIVSA-N 1 0 303.761 2.438 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC12CC2 ZINC001232263858 801833637 /nfs/dbraw/zinc/83/36/37/801833637.db2.gz DWNLEDMCZBAORQ-SNVBAGLBSA-N 1 0 311.765 2.136 20 10 DECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232269425 801834975 /nfs/dbraw/zinc/83/49/75/801834975.db2.gz ZFNNSJAKFBFUGR-JTQLQIEISA-N 1 0 313.781 2.439 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC001232269740 801836077 /nfs/dbraw/zinc/83/60/77/801836077.db2.gz JIUGIJFYZOQZFR-GFCCVEGCSA-N 1 0 322.796 2.483 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001232836810 801969928 /nfs/dbraw/zinc/96/99/28/801969928.db2.gz UJKONIMDTDEIJO-YPMHNXCESA-N 1 0 318.339 2.061 20 10 DECDRO C[N@H+]1C[C@H]2CN(Cc3cccc(C(F)(F)F)c3O)C[C@H]2C1 ZINC001233418722 802111176 /nfs/dbraw/zinc/11/11/76/802111176.db2.gz SKSKMEGNQCAESA-TXEJJXNPSA-N 1 0 300.324 2.404 20 10 DECDRO CC(=O)N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415577 802112271 /nfs/dbraw/zinc/11/22/71/802112271.db2.gz BHJOCPIORRTUGB-UHFFFAOYSA-N 1 0 316.323 2.465 20 10 DECDRO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486979 802127147 /nfs/dbraw/zinc/12/71/47/802127147.db2.gz KHYKEGXEUYYZRO-LLVKDONJSA-N 1 0 323.389 2.357 20 10 DECDRO Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487724 802129420 /nfs/dbraw/zinc/12/94/20/802129420.db2.gz PPZWUSCZPCNJQJ-ZDUSSCGKSA-N 1 0 316.357 2.160 20 10 DECDRO C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C[NH2+]1 ZINC001218039404 802135883 /nfs/dbraw/zinc/13/58/83/802135883.db2.gz KMBQLQVPHSIEKT-GHMZBOCLSA-N 1 0 323.348 2.297 20 10 DECDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233754325 802197446 /nfs/dbraw/zinc/19/74/46/802197446.db2.gz DKGRGZUQQAFXES-JTQLQIEISA-N 1 0 318.295 2.131 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC001220894825 802509603 /nfs/dbraw/zinc/50/96/03/802509603.db2.gz LPDBHGMPPJZUGM-CQSZACIVSA-N 1 0 313.401 2.282 20 10 DECDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001334247908 1150245845 /nfs/dbraw/zinc/24/58/45/1150245845.db2.gz LKAAJODBDLOENW-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CCC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC001330993266 1149354244 /nfs/dbraw/zinc/35/42/44/1149354244.db2.gz FPNWTVJLDRMXPM-UHFFFAOYSA-N 1 0 301.434 2.288 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn3c2CCC3)cc1 ZINC001328210253 1148741296 /nfs/dbraw/zinc/74/12/96/1148741296.db2.gz UNVWMQUTNNHLSM-UHFFFAOYSA-N 1 0 314.433 2.406 20 10 DECDRO CC[N@@H+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001458268342 1058052921 /nfs/dbraw/zinc/05/29/21/1058052921.db2.gz WDUGCBUDCCKCIW-NSHDSACASA-N 1 0 309.366 2.142 20 10 DECDRO c1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc2c1OCC2 ZINC001461285235 1058629571 /nfs/dbraw/zinc/62/95/71/1058629571.db2.gz YHXAJUXXIZMRDF-ROUUACIJSA-N 1 0 316.445 2.355 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900112 1059381427 /nfs/dbraw/zinc/38/14/27/1059381427.db2.gz NQQGATRHLYQTCH-IINYFYTJSA-N 1 0 315.377 2.062 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1O ZINC001473722538 1060716868 /nfs/dbraw/zinc/71/68/68/1060716868.db2.gz KHHQBVSXACTTGS-SNVBAGLBSA-N 1 0 301.371 2.312 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccon2)cc1C ZINC001505567859 1060719623 /nfs/dbraw/zinc/71/96/23/1060719623.db2.gz XADFOZPICHJRQN-QWHCGFSZSA-N 1 0 317.389 2.288 20 10 DECDRO CCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CC(=O)N(C)C1=O ZINC001474471019 1060876603 /nfs/dbraw/zinc/87/66/03/1060876603.db2.gz SZDLKNRKMPPSNZ-CYBMUJFWSA-N 1 0 324.808 2.323 20 10 DECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001621235002 1078171363 /nfs/dbraw/zinc/17/13/63/1078171363.db2.gz NBNIVGGVSOMBCT-GHMZBOCLSA-N 1 0 311.378 2.087 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001627689740 1078280921 /nfs/dbraw/zinc/28/09/21/1078280921.db2.gz PBXFCIVUGKUNDA-OAHLLOKOSA-N 1 0 307.413 2.111 20 10 DECDRO C[C@@H]([NH3+])C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC001576183241 1066513097 /nfs/dbraw/zinc/51/30/97/1066513097.db2.gz ZOPOGYMYGJJYNT-UONOGXRCSA-N 1 0 319.449 2.074 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001577883714 1066940831 /nfs/dbraw/zinc/94/08/31/1066940831.db2.gz GRCUPKONULZXOP-HUUCEWRRSA-N 1 0 320.481 2.289 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(F)c(O)c2)cc1 ZINC001578424765 1067096285 /nfs/dbraw/zinc/09/62/85/1067096285.db2.gz UYFCYKRWHIQIOU-OAHLLOKOSA-N 1 0 317.364 2.027 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccnn2CC2CC2)cc1 ZINC001578424466 1067096824 /nfs/dbraw/zinc/09/68/24/1067096824.db2.gz IAGCGTWMVAMVLD-GOSISDBHSA-N 1 0 313.449 2.149 20 10 DECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(Br)cc1O ZINC001578734091 1067156429 /nfs/dbraw/zinc/15/64/29/1067156429.db2.gz BXJKAMPIKGCTFA-RYUDHWBXSA-N 1 0 317.202 2.287 20 10 DECDRO COc1cc(C)c(CNc2cnn(C3CC[NH2+]CC3)c2)c(O)c1 ZINC001579144399 1067241557 /nfs/dbraw/zinc/24/15/57/1067241557.db2.gz FFDYJLMDQBCLAN-UHFFFAOYSA-N 1 0 316.405 2.442 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001580261874 1067545863 /nfs/dbraw/zinc/54/58/63/1067545863.db2.gz MCMAKTLPZWEQCE-WCQYABFASA-N 1 0 303.366 2.096 20 10 DECDRO CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)[NH2+]1 ZINC001641293365 1078703423 /nfs/dbraw/zinc/70/34/23/1078703423.db2.gz KXWGMILUVBGDBR-CMPLNLGQSA-N 1 0 303.366 2.062 20 10 DECDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272385795 1078845361 /nfs/dbraw/zinc/84/53/61/1078845361.db2.gz FMBMMALOHMLFLY-FZKQIMNGSA-N 1 0 318.417 2.321 20 10 DECDRO CCCCN1CC[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272387366 1078846363 /nfs/dbraw/zinc/84/63/63/1078846363.db2.gz XTPLZLLDNGUYLR-SFHVURJKSA-N 1 0 318.417 2.322 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c1 ZINC001272638713 1079028126 /nfs/dbraw/zinc/02/81/26/1079028126.db2.gz SZYYYBUEMYEYAY-GOSISDBHSA-N 1 0 318.417 2.235 20 10 DECDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC001560321449 1075137332 /nfs/dbraw/zinc/13/73/32/1075137332.db2.gz PFGGPVCKCJXQFL-QGZVFWFLSA-N 1 0 317.477 2.487 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1 ZINC001560761278 1075145309 /nfs/dbraw/zinc/14/53/09/1075145309.db2.gz DPWCWSOLTBZOHZ-UHFFFAOYSA-N 1 0 306.450 2.404 20 10 DECDRO C[NH+](C)CCc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001566359720 1075241355 /nfs/dbraw/zinc/24/13/55/1075241355.db2.gz LIEVWVZBOCOKHL-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO c1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc2c1OCC2 ZINC001593549448 1077024029 /nfs/dbraw/zinc/02/40/29/1077024029.db2.gz URKCXRJJPKBLCL-UHFFFAOYSA-N 1 0 307.357 2.091 20 10 DECDRO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001267831758 1079522176 /nfs/dbraw/zinc/52/21/76/1079522176.db2.gz TXIFYJOAKJUHLK-ZDUSSCGKSA-N 1 0 317.393 2.357 20 10 DECDRO c1ncn(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)n1 ZINC001656559973 1080102948 /nfs/dbraw/zinc/10/29/48/1080102948.db2.gz HQCYBDWUUNVEEL-UHFFFAOYSA-N 1 0 306.369 2.492 20 10 DECDRO CSC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657249427 1080167124 /nfs/dbraw/zinc/16/71/24/1080167124.db2.gz NWJVGRBWJHQHFJ-ZDUSSCGKSA-N 1 0 311.470 2.419 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001657624110 1080180458 /nfs/dbraw/zinc/18/04/58/1080180458.db2.gz BFZFPUHWAVYPJB-QGZVFWFLSA-N 1 0 321.440 2.092 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCCO2)cc1C ZINC001663886731 1080832367 /nfs/dbraw/zinc/83/23/67/1080832367.db2.gz KLYAHFPIKUVZLM-QGZVFWFLSA-N 1 0 320.433 2.121 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]([S@](C)=O)C2)c1O ZINC001665837439 1081089054 /nfs/dbraw/zinc/08/90/54/1081089054.db2.gz PHRMLYBXKLHYJT-HTGLOVNISA-N 1 0 317.838 2.443 20 10 DECDRO CC[C@@H](CNC(=O)C(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269361075 1081227847 /nfs/dbraw/zinc/22/78/47/1081227847.db2.gz PNMOYROGZKAUQH-LBPRGKRZSA-N 1 0 300.349 2.253 20 10 DECDRO C[C@@H](C[NH2+]CC1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669753261 1081465807 /nfs/dbraw/zinc/46/58/07/1081465807.db2.gz HNXQTMZNZNERDS-NSHDSACASA-N 1 0 317.393 2.357 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnco2)cc1C ZINC001674707436 1081908758 /nfs/dbraw/zinc/90/87/58/1081908758.db2.gz CXMQPQSQXDAJOP-QWHCGFSZSA-N 1 0 317.389 2.288 20 10 DECDRO COc1ccc(N2CC3(C2)CC[N@H+](CCn2ccnc2)C3)cc1 ZINC001276927486 1083684139 /nfs/dbraw/zinc/68/41/39/1083684139.db2.gz SHAMHTSYAQNVJI-UHFFFAOYSA-N 1 0 312.417 2.104 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)cc1 ZINC001276958626 1083699928 /nfs/dbraw/zinc/69/99/28/1083699928.db2.gz RQXUKOAYPMBAAT-APWZRJJASA-N 1 0 311.429 2.115 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)cc1 ZINC001276957978 1083700639 /nfs/dbraw/zinc/70/06/39/1083700639.db2.gz APEHULHTVXLKPS-DNVCBOLYSA-N 1 0 315.461 2.489 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)cc1 ZINC001276958628 1083700769 /nfs/dbraw/zinc/70/07/69/1083700769.db2.gz RQXUKOAYPMBAAT-QFBILLFUSA-N 1 0 311.429 2.115 20 10 DECDRO CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2)C(C)C ZINC001277192458 1083839676 /nfs/dbraw/zinc/83/96/76/1083839676.db2.gz OJQLEWACRNMVRM-RDTXWAMCSA-N 1 0 318.417 2.177 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@H]4C(N)=O)CC3)ccc21 ZINC001277253367 1083873340 /nfs/dbraw/zinc/87/33/40/1083873340.db2.gz BKWJGISSONMRPU-INIZCTEOSA-N 1 0 313.445 2.156 20 10 DECDRO O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1O ZINC001277442769 1083973588 /nfs/dbraw/zinc/97/35/88/1083973588.db2.gz ZIGXEFUFLGKENU-LZJQFABFSA-N 1 0 324.371 2.278 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c(Cl)c1 ZINC001277550364 1084032057 /nfs/dbraw/zinc/03/20/57/1084032057.db2.gz AZQZBYRICBNGEF-CQSZACIVSA-N 1 0 321.852 2.493 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)OC)cc1C ZINC001277770705 1084140904 /nfs/dbraw/zinc/14/09/04/1084140904.db2.gz HMOSSKZVQJEEGO-LSDHHAIUSA-N 1 0 322.449 2.365 20 10 DECDRO Cc1cc(Br)cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235043547 1084283556 /nfs/dbraw/zinc/28/35/56/1084283556.db2.gz FFPDQNPRJRSMNN-QWHCGFSZSA-N 1 0 311.223 2.399 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235081907 1084303198 /nfs/dbraw/zinc/30/31/98/1084303198.db2.gz LCLKDRXDDADVOF-IAGOWNOFSA-N 1 0 321.852 2.113 20 10 DECDRO CC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001235771109 1084523209 /nfs/dbraw/zinc/52/32/09/1084523209.db2.gz FLGNPBZLCWDHHL-HNNXBMFYSA-N 1 0 323.868 2.360 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001235781601 1084528026 /nfs/dbraw/zinc/52/80/26/1084528026.db2.gz WBVNCJXZDKVGGB-UKRRQHHQSA-N 1 0 320.433 2.012 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061023 1084599948 /nfs/dbraw/zinc/59/99/48/1084599948.db2.gz WOWMEEDWEHJWIP-QWRGUYRKSA-N 1 0 316.323 2.475 20 10 DECDRO C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236080901 1084608767 /nfs/dbraw/zinc/60/87/67/1084608767.db2.gz HVEFHXXZFZRYGR-UHFFFAOYSA-N 1 0 318.248 2.036 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236103655 1084612792 /nfs/dbraw/zinc/61/27/92/1084612792.db2.gz VJVILMYIPVHYER-ZIAGYGMSSA-N 1 0 323.868 2.359 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c3c(nn2C)CCOC3)c1 ZINC000922217996 1085851756 /nfs/dbraw/zinc/85/17/56/1085851756.db2.gz ZADQLCGLXJLAEU-LLVKDONJSA-N 1 0 317.389 2.058 20 10 DECDRO CN(C)C(=O)CCC[NH2+]Cc1c(O)cccc1Br ZINC000706854166 1086652391 /nfs/dbraw/zinc/65/23/91/1086652391.db2.gz RIQCORSSMMFPRC-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000706842368 1086653650 /nfs/dbraw/zinc/65/36/50/1086653650.db2.gz CFTMEDZDISECCU-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001273163567 1087112006 /nfs/dbraw/zinc/11/20/06/1087112006.db2.gz OAJYAXPZAHAIRG-INIZCTEOSA-N 1 0 322.792 2.017 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001273206168 1090033523 /nfs/dbraw/zinc/03/35/23/1090033523.db2.gz IXMCPKULTLMEQU-MRXNPFEDSA-N 1 0 315.461 2.409 20 10 DECDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275267392 1091645261 /nfs/dbraw/zinc/64/52/61/1091645261.db2.gz MUQOQOBZMDAUNM-IYBDPMFKSA-N 1 0 312.417 2.067 20 10 DECDRO CN1C[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H](C1)O2 ZINC001275799756 1092152784 /nfs/dbraw/zinc/15/27/84/1092152784.db2.gz SGUAIUALMCOHOM-GASCZTMLSA-N 1 0 304.434 2.205 20 10 DECDRO Cc1c(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c2ccccc2n1C ZINC001236163220 1138335319 /nfs/dbraw/zinc/33/53/19/1138335319.db2.gz OITXDMFMFJSAGT-GOSISDBHSA-N 1 0 313.445 2.176 20 10 DECDRO Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236296419 1138347549 /nfs/dbraw/zinc/34/75/49/1138347549.db2.gz SRCHXVYYINSOFX-FUHWJXTLSA-N 1 0 310.397 2.375 20 10 DECDRO COCCN(Cc1ccc(N(C)C)cc1Cl)[C@H]1CC[NH2+]C1 ZINC001236335646 1138353713 /nfs/dbraw/zinc/35/37/13/1138353713.db2.gz VDVMUTXMRAMRHI-HNNXBMFYSA-N 1 0 311.857 2.216 20 10 DECDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001236670588 1138392698 /nfs/dbraw/zinc/39/26/98/1138392698.db2.gz MOKFBMLZCFSVBL-LBPRGKRZSA-N 1 0 311.223 2.353 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc1OC ZINC001236749372 1138408024 /nfs/dbraw/zinc/40/80/24/1138408024.db2.gz CHWAZJLHLOURRD-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236751857 1138409302 /nfs/dbraw/zinc/40/93/02/1138409302.db2.gz LBGVMIDISWTJRP-YPMHNXCESA-N 1 0 323.389 2.040 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)cc1OC ZINC001236757935 1138411508 /nfs/dbraw/zinc/41/15/08/1138411508.db2.gz RLMUPHLXSMGLGZ-UHFFFAOYSA-N 1 0 316.357 2.068 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(CC)cc2O)CCS1 ZINC001236787690 1138427864 /nfs/dbraw/zinc/42/78/64/1138427864.db2.gz JXYCBJKZLGLMNM-HNNXBMFYSA-N 1 0 309.431 2.435 20 10 DECDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925091 1138457912 /nfs/dbraw/zinc/45/79/12/1138457912.db2.gz PXPPQUAYPPTFHV-HNNXBMFYSA-N 1 0 310.825 2.397 20 10 DECDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC(F)F ZINC001236946379 1138463327 /nfs/dbraw/zinc/46/33/27/1138463327.db2.gz OVKODCGKZPXQON-UHFFFAOYSA-N 1 0 301.356 2.274 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c(O)c1 ZINC001237046985 1138488195 /nfs/dbraw/zinc/48/81/95/1138488195.db2.gz JBYIQRYCUCYPRR-UHFFFAOYSA-N 1 0 304.390 2.036 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237116128 1138507058 /nfs/dbraw/zinc/50/70/58/1138507058.db2.gz XOVPGZWBMLEZGM-UHFFFAOYSA-N 1 0 307.268 2.286 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120172 1138508294 /nfs/dbraw/zinc/50/82/94/1138508294.db2.gz NOAXQCPBCDXFPJ-SNVBAGLBSA-N 1 0 305.296 2.495 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001237488031 1138654419 /nfs/dbraw/zinc/65/44/19/1138654419.db2.gz HOGSZZORYYDDJD-OAHLLOKOSA-N 1 0 302.418 2.391 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237491034 1138655613 /nfs/dbraw/zinc/65/56/13/1138655613.db2.gz FIRRBCVZBXKHJJ-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(OC)cc(OC)c3O)C[C@H]2C1 ZINC001237683183 1138754883 /nfs/dbraw/zinc/75/48/83/1138754883.db2.gz FQFDAXVCYZHBLS-HUUCEWRRSA-N 1 0 320.433 2.183 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1O ZINC001238059307 1138819326 /nfs/dbraw/zinc/81/93/26/1138819326.db2.gz BKPNFHOQYTXBFI-FICVDOATSA-N 1 0 306.381 2.042 20 10 DECDRO Cc1cc(-c2nc(C)nc3c2ccn3C)cnc1N1CC[NH2+]CC1 ZINC001239724276 1139095641 /nfs/dbraw/zinc/09/56/41/1139095641.db2.gz MSBRWMKWXSFRNT-UHFFFAOYSA-N 1 0 322.416 2.057 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccn[nH]2)cc1C ZINC001320356233 1140854558 /nfs/dbraw/zinc/85/45/58/1140854558.db2.gz IKNXKFRUDVKCDW-ZDUSSCGKSA-N 1 0 316.405 2.025 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322740318 1141704550 /nfs/dbraw/zinc/70/45/50/1141704550.db2.gz JPBOEPJNOKJRAZ-GJZGRUSLSA-N 1 0 305.422 2.406 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@H]3C(N)=O)ccc2O1 ZINC001249223341 1141862346 /nfs/dbraw/zinc/86/23/46/1141862346.db2.gz DQNKFYZEEGYUBN-ZDUSSCGKSA-N 1 0 302.374 2.026 20 10 DECDRO CN(C)C(=O)C[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244991 1141864115 /nfs/dbraw/zinc/86/41/15/1141864115.db2.gz SLRQEZUTRXIKDE-UHFFFAOYSA-N 1 0 304.390 2.096 20 10 DECDRO COCCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323889474 1141896791 /nfs/dbraw/zinc/89/67/91/1141896791.db2.gz NCJZTSJJKUBELM-UHFFFAOYSA-N 1 0 323.456 2.482 20 10 DECDRO Cc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)cc1Br ZINC001250120632 1142085024 /nfs/dbraw/zinc/08/50/24/1142085024.db2.gz LEFVCKBKFPQRPG-TVQRCGJNSA-N 1 0 300.196 2.276 20 10 DECDRO Nc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001336141020 1142365083 /nfs/dbraw/zinc/36/50/83/1142365083.db2.gz JRMCOJTVVCJTEV-HZPDHXFCSA-N 1 0 302.422 2.085 20 10 DECDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N)cc1 ZINC001336285073 1142394826 /nfs/dbraw/zinc/39/48/26/1142394826.db2.gz HMGBLYDORXQYRD-UHFFFAOYSA-N 1 0 302.422 2.268 20 10 DECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001336289997 1142396423 /nfs/dbraw/zinc/39/64/23/1142396423.db2.gz FEBDIMZUMGBJHS-CZUORRHYSA-N 1 0 302.422 2.037 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001337415032 1142749842 /nfs/dbraw/zinc/74/98/42/1142749842.db2.gz UYEUMLICXFJWNI-IUCKJTJTSA-N 1 0 318.417 2.492 20 10 DECDRO CC[NH+](CC)C[C@@H](O)CNCc1cc2ccccc2cc1O ZINC001253213146 1142855044 /nfs/dbraw/zinc/85/50/44/1142855044.db2.gz LPVASSBOUQWDIX-KRWDZBQOSA-N 1 0 302.418 2.338 20 10 DECDRO Nc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001338595834 1142865540 /nfs/dbraw/zinc/86/55/40/1142865540.db2.gz OHWDXNBDWQPJKS-INIZCTEOSA-N 1 0 302.422 2.085 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC001338794342 1142879238 /nfs/dbraw/zinc/87/92/38/1142879238.db2.gz YXXPPUBLRGNXAP-CCOGEBNFSA-N 1 0 319.405 2.031 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCSC3)cc2F)CC1 ZINC001339604450 1143062738 /nfs/dbraw/zinc/06/27/38/1143062738.db2.gz NPMKVPUNMQEJCA-CQSZACIVSA-N 1 0 309.454 2.173 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCSCCC[NH3+])c1 ZINC001340338390 1143326589 /nfs/dbraw/zinc/32/65/89/1143326589.db2.gz AVEVXPFDFRFUMX-LLVKDONJSA-N 1 0 312.435 2.050 20 10 DECDRO O=C(NCc1c(O)cccc1F)c1cc2c(s1)C[NH2+]CC2 ZINC001341124784 1143545489 /nfs/dbraw/zinc/54/54/89/1143545489.db2.gz RQJZLJMUICYENF-UHFFFAOYSA-N 1 0 306.362 2.169 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@H]([NH3+])C3)ccc21 ZINC001342160573 1143800209 /nfs/dbraw/zinc/80/02/09/1143800209.db2.gz VAPOELGBBHQGRN-SHTZXODSSA-N 1 0 315.417 2.124 20 10 DECDRO Nc1ccc(CC(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cc1 ZINC001342607471 1143826291 /nfs/dbraw/zinc/82/62/91/1143826291.db2.gz KUGGMVUTWVMKAG-ZDUSSCGKSA-N 1 0 313.376 2.115 20 10 DECDRO Nc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001342698875 1143831175 /nfs/dbraw/zinc/83/11/75/1143831175.db2.gz HITUIBQHIBIOFX-UHFFFAOYSA-N 1 0 309.413 2.206 20 10 DECDRO CCCCOC(=O)CC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257385206 1143902557 /nfs/dbraw/zinc/90/25/57/1143902557.db2.gz FMOJOAGQKLFOFJ-GFCCVEGCSA-N 1 0 323.389 2.382 20 10 DECDRO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673453 1144265416 /nfs/dbraw/zinc/26/54/16/1144265416.db2.gz UXGJBLOZXMMXNT-QGZVFWFLSA-N 1 0 315.417 2.313 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC2(C)C)c(C)n1-c1ccccn1 ZINC001263240682 1144362926 /nfs/dbraw/zinc/36/29/26/1144362926.db2.gz RVSMSETZCNIFNF-OAHLLOKOSA-N 1 0 312.417 2.217 20 10 DECDRO CC[C@@H](OC)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265756808 1144737976 /nfs/dbraw/zinc/73/79/76/1144737976.db2.gz LMQBHHJSHOMDIV-UKRRQHHQSA-N 1 0 308.422 2.023 20 10 DECDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCCC1 ZINC001306422773 1147383050 /nfs/dbraw/zinc/38/30/50/1147383050.db2.gz QMTNWQNQVZJDIA-LBPRGKRZSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CN(C)CCO1 ZINC001308319466 1147465216 /nfs/dbraw/zinc/46/52/16/1147465216.db2.gz WEMKMALZMYCCQY-CRAIPNDOSA-N 1 0 303.450 2.096 20 10 DECDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001308323031 1147466562 /nfs/dbraw/zinc/46/65/62/1147466562.db2.gz ZSERWSFCPAPRTG-KXBFYZLASA-N 1 0 315.461 2.096 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c1 ZINC001474663836 1147712109 /nfs/dbraw/zinc/71/21/09/1147712109.db2.gz OUINFMQAYFYTEZ-YPENRWOSSA-N 1 0 309.431 2.195 20 10 DECDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC001318084441 1147768684 /nfs/dbraw/zinc/76/86/84/1147768684.db2.gz WAWYQZCPKGKWBY-OAHLLOKOSA-N 1 0 314.429 2.372 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)cc1F ZINC001324759089 1147840931 /nfs/dbraw/zinc/84/09/31/1147840931.db2.gz CLKYDXYXSQROGH-INIZCTEOSA-N 1 0 324.440 2.407 20 10 DECDRO C[NH2+][C@@H](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001325682412 1147983589 /nfs/dbraw/zinc/98/35/89/1147983589.db2.gz ZSRFYBIFKCWMJM-AWEZNQCLSA-N 1 0 318.465 2.425 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCC(F)(F)F ZINC001326624168 1148168874 /nfs/dbraw/zinc/16/88/74/1148168874.db2.gz YMQWRFLPZLYJRT-SCZZXKLOSA-N 1 0 302.296 2.036 20 10 DECDRO CN(C)c1ccc(CN(C(=O)[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000264973959 282288977 /nfs/dbraw/zinc/28/89/77/282288977.db2.gz HANSCJAUDKFKCH-QGZVFWFLSA-N 1 0 301.434 2.338 20 10 DECDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000376830096 530051730 /nfs/dbraw/zinc/05/17/30/530051730.db2.gz XNGNFNQQYAKPSH-GQCTYLIASA-N 1 0 316.401 2.198 20 10 DECDRO C[N@H+](CC(=O)N1CCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000058563386 354593983 /nfs/dbraw/zinc/59/39/83/354593983.db2.gz JEOAFSHWMYPMAJ-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO COc1ccccc1N(C)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592493877 357885922 /nfs/dbraw/zinc/88/59/22/357885922.db2.gz FFLNNLHAARMUBJ-GFCCVEGCSA-N 1 0 314.389 2.004 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC000091795088 193109748 /nfs/dbraw/zinc/10/97/48/193109748.db2.gz XKAHZWVVFKKUPT-UHFFFAOYSA-N 1 0 316.405 2.299 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000040827166 183138105 /nfs/dbraw/zinc/13/81/05/183138105.db2.gz HTVMEARTBKHVBY-CQSZACIVSA-N 1 0 303.431 2.292 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000272254020 130013308 /nfs/dbraw/zinc/01/33/08/130013308.db2.gz MCTSYRQHGBMFJX-UKRRQHHQSA-N 1 0 312.417 2.298 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000272254018 130013862 /nfs/dbraw/zinc/01/38/62/130013862.db2.gz MCTSYRQHGBMFJX-DZGCQCFKSA-N 1 0 312.417 2.298 20 10 DECDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272621341 130046587 /nfs/dbraw/zinc/04/65/87/130046587.db2.gz IVSHXTXNZTYMPN-VUDGCMKMSA-N 1 0 318.417 2.300 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1O ZINC000272818069 130065981 /nfs/dbraw/zinc/06/59/81/130065981.db2.gz FGEOAXJFKTXUHB-AWEZNQCLSA-N 1 0 313.401 2.475 20 10 DECDRO C[C@@H](CCNC(=O)NCc1ccccc1O)[NH+]1CCCCC1 ZINC000273146173 130092457 /nfs/dbraw/zinc/09/24/57/130092457.db2.gz GUZFZRPLDIIJMY-AWEZNQCLSA-N 1 0 305.422 2.456 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000273362496 130111555 /nfs/dbraw/zinc/11/15/55/130111555.db2.gz DFAJSNYTFDHCNP-LBPRGKRZSA-N 1 0 308.422 2.417 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274935373 130275062 /nfs/dbraw/zinc/27/50/62/130275062.db2.gz PKUSDDFZVQBKLP-UHFFFAOYSA-N 1 0 317.364 2.053 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1 ZINC000275618093 130350636 /nfs/dbraw/zinc/35/06/36/130350636.db2.gz RJLHRJPUWZXQNG-HOCLYGCPSA-N 1 0 301.390 2.444 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000284311232 131068826 /nfs/dbraw/zinc/06/88/26/131068826.db2.gz JLKXPDHFOWVVBK-WMZOPIPTSA-N 1 0 320.433 2.086 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(O)c1 ZINC000284471855 131083092 /nfs/dbraw/zinc/08/30/92/131083092.db2.gz VVOOGRQUIGISLL-HUUCEWRRSA-N 1 0 322.449 2.068 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(O)c1 ZINC000284471861 131083452 /nfs/dbraw/zinc/08/34/52/131083452.db2.gz VVOOGRQUIGISLL-LSDHHAIUSA-N 1 0 322.449 2.068 20 10 DECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000285835493 131204126 /nfs/dbraw/zinc/20/41/26/131204126.db2.gz HKNPTSSTSWYCBH-CRAIPNDOSA-N 1 0 303.450 2.048 20 10 DECDRO C[N@H+](Cc1ccccc1O)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351820 131377056 /nfs/dbraw/zinc/37/70/56/131377056.db2.gz LCLZOAHSFYLASM-KRWDZBQOSA-N 1 0 324.421 2.100 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000111884019 401726918 /nfs/dbraw/zinc/72/69/18/401726918.db2.gz USLPLEPKBRCOAH-OAHLLOKOSA-N 1 0 305.422 2.408 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132712074 401872134 /nfs/dbraw/zinc/87/21/34/401872134.db2.gz WLJBISKZWOIVFM-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000134868306 401917561 /nfs/dbraw/zinc/91/75/61/401917561.db2.gz VLMBBXBBSGBJQE-ZKANADHPSA-N 1 0 306.225 2.011 20 10 DECDRO CCN(CCC[NH2+][C@H](C)c1cc(C)ccc1O)S(C)(=O)=O ZINC000038035534 401921380 /nfs/dbraw/zinc/92/13/80/401921380.db2.gz VLABITOSWHARGJ-CYBMUJFWSA-N 1 0 314.451 2.023 20 10 DECDRO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1O ZINC000120036971 401975287 /nfs/dbraw/zinc/97/52/87/401975287.db2.gz GCTBNTFFWDYAGX-UHFFFAOYSA-N 1 0 319.430 2.317 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)no1 ZINC000120607879 401995314 /nfs/dbraw/zinc/99/53/14/401995314.db2.gz XRHRACACNAIBGD-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)[NH3+] ZINC000121491848 402039685 /nfs/dbraw/zinc/03/96/85/402039685.db2.gz HUBQZKKPDZDNGM-UHFFFAOYSA-N 1 0 315.211 2.241 20 10 DECDRO CCOC(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000055059250 402074734 /nfs/dbraw/zinc/07/47/34/402074734.db2.gz ZQTVTZGTVHCEAP-UHFFFAOYSA-N 1 0 306.406 2.161 20 10 DECDRO COc1cccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123590045 402136579 /nfs/dbraw/zinc/13/65/79/402136579.db2.gz ZDIXIUXUOQPNKG-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO CCCOc1ccc(C[N@H+](C)CC(=O)N(CC)CC)c(O)c1 ZINC000155111849 402245562 /nfs/dbraw/zinc/24/55/62/402245562.db2.gz HBWPPVZZGLLREX-UHFFFAOYSA-N 1 0 308.422 2.481 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1 ZINC000185983520 402395196 /nfs/dbraw/zinc/39/51/96/402395196.db2.gz GXHRNMSDKAAINZ-GFCCVEGCSA-N 1 0 314.385 2.393 20 10 DECDRO Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)c(O)c1O ZINC000177673075 402425523 /nfs/dbraw/zinc/42/55/23/402425523.db2.gz DUWJFDMWVXUICS-UHFFFAOYSA-N 1 0 314.385 2.398 20 10 DECDRO COc1cccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000247235919 402560858 /nfs/dbraw/zinc/56/08/58/402560858.db2.gz RTSKKEHBDINXOA-FRRDWIJNSA-N 1 0 306.406 2.278 20 10 DECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000170718534 402516782 /nfs/dbraw/zinc/51/67/82/402516782.db2.gz MPZXLCUKZITQFG-CQSZACIVSA-N 1 0 306.454 2.282 20 10 DECDRO CCCC[N@H+](Cc1cccc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179567639 402595331 /nfs/dbraw/zinc/59/53/31/402595331.db2.gz AHKVRRTZLNFRAH-HNNXBMFYSA-N 1 0 311.447 2.490 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000263674459 402789387 /nfs/dbraw/zinc/78/93/87/402789387.db2.gz CQXFLTBWHCBRHR-GFCCVEGCSA-N 1 0 310.417 2.031 20 10 DECDRO COc1cc(N2CC[NH+](CC(C)C)CC2)cc(OC)c1OC ZINC000183700475 402789828 /nfs/dbraw/zinc/78/98/28/402789828.db2.gz SEUNPTOOPMPIMC-UHFFFAOYSA-N 1 0 308.422 2.490 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000175628488 402822503 /nfs/dbraw/zinc/82/25/03/402822503.db2.gz YPYLKBDZGYSCOU-GFCCVEGCSA-N 1 0 323.364 2.319 20 10 DECDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000183667934 402787171 /nfs/dbraw/zinc/78/71/71/402787171.db2.gz XVRXIYNFSGBYMK-ZFWWWQNUSA-N 1 0 308.422 2.220 20 10 DECDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278197557 402862062 /nfs/dbraw/zinc/86/20/62/402862062.db2.gz IOYQEKPDHQINBD-LLVKDONJSA-N 1 0 310.350 2.167 20 10 DECDRO OCC[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000278541189 402868039 /nfs/dbraw/zinc/86/80/39/402868039.db2.gz XLHJAIWYMJXAKK-SFHVURJKSA-N 1 0 304.434 2.308 20 10 DECDRO COc1ccc(O)c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278607952 402869134 /nfs/dbraw/zinc/86/91/34/402869134.db2.gz JHVCMHNHLMYQHM-AWEZNQCLSA-N 1 0 320.433 2.086 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c(O)c1 ZINC000278733450 402870228 /nfs/dbraw/zinc/87/02/28/402870228.db2.gz UPQFXZZIXRMXIB-RDJZCZTQSA-N 1 0 309.406 2.465 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279745122 402961793 /nfs/dbraw/zinc/96/17/93/402961793.db2.gz XWBPBFPCQMWLEN-OAHLLOKOSA-N 1 0 310.350 2.310 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000279833033 402962765 /nfs/dbraw/zinc/96/27/65/402962765.db2.gz QLBOJTKNQYTEQT-UHFFFAOYSA-N 1 0 310.463 2.200 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096029 403048275 /nfs/dbraw/zinc/04/82/75/403048275.db2.gz CTSQMPAVAKGBAF-GUYCJALGSA-N 1 0 316.449 2.035 20 10 DECDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000281278486 403062595 /nfs/dbraw/zinc/06/25/95/403062595.db2.gz OEWKULWNJRCMHE-SFHVURJKSA-N 1 0 321.417 2.492 20 10 DECDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268953298 403121294 /nfs/dbraw/zinc/12/12/94/403121294.db2.gz SYZRAEFYLMWVGC-KGLIPLIRSA-N 1 0 310.413 2.331 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)cc1 ZINC000268926000 403121473 /nfs/dbraw/zinc/12/14/73/403121473.db2.gz WAMHFEVACCZEDX-GUYCJALGSA-N 1 0 302.422 2.260 20 10 DECDRO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269045972 403123174 /nfs/dbraw/zinc/12/31/74/403123174.db2.gz NJAOOIDBOZTFLQ-IRXDYDNUSA-N 1 0 323.433 2.159 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)CC1 ZINC000269293017 403128800 /nfs/dbraw/zinc/12/88/00/403128800.db2.gz OUGLHXIDWNKLAS-UHFFFAOYSA-N 1 0 320.408 2.223 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3ncc(C)s3)CC2)c1O ZINC000271167736 403272275 /nfs/dbraw/zinc/27/22/75/403272275.db2.gz CRUWMSYZMCKFOB-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1 ZINC000292962647 403384211 /nfs/dbraw/zinc/38/42/11/403384211.db2.gz JQNDESKHYODXAC-INIZCTEOSA-N 1 0 314.385 2.497 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1N(C)C ZINC000292973343 403385509 /nfs/dbraw/zinc/38/55/09/403385509.db2.gz DPXPEZGZSGCHDN-KRWDZBQOSA-N 1 0 301.434 2.304 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000293892439 403592144 /nfs/dbraw/zinc/59/21/44/403592144.db2.gz KLWIGKSCKDFKAB-INIZCTEOSA-N 1 0 301.386 2.436 20 10 DECDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290055028 404021290 /nfs/dbraw/zinc/02/12/90/404021290.db2.gz UIJUGIKPQIRGNR-DLBZAZTESA-N 1 0 301.434 2.291 20 10 DECDRO COCCN1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC000355125258 404232774 /nfs/dbraw/zinc/23/27/74/404232774.db2.gz PYPADXZFUFCZGO-HNNXBMFYSA-N 1 0 301.434 2.297 20 10 DECDRO COc1cc(O)c(C[N@H+](C)C2CCC(CO)CC2)cc1OC ZINC000290665226 404263289 /nfs/dbraw/zinc/26/32/89/404263289.db2.gz ZYLVPVAFCSBTDC-UHFFFAOYSA-N 1 0 309.406 2.392 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1OC ZINC000290774113 404307995 /nfs/dbraw/zinc/30/79/95/404307995.db2.gz CIPDWLSYKIVZSF-MRXNPFEDSA-N 1 0 309.406 2.296 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291182651 404376126 /nfs/dbraw/zinc/37/61/26/404376126.db2.gz FTRPBTKFIYSQEY-GFCCVEGCSA-N 1 0 301.333 2.240 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000369139698 227025514 /nfs/dbraw/zinc/02/55/14/227025514.db2.gz KMDQVLIJWZLNQF-INIZCTEOSA-N 1 0 301.390 2.369 20 10 DECDRO COCC[C@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000372050722 227081562 /nfs/dbraw/zinc/08/15/62/227081562.db2.gz PTSYVIBHODKJRQ-SFHVURJKSA-N 1 0 322.449 2.041 20 10 DECDRO Cc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c(O)c1O ZINC000374104851 227125093 /nfs/dbraw/zinc/12/50/93/227125093.db2.gz GAEMYYQQFLNZBV-UHFFFAOYSA-N 1 0 318.417 2.354 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173744 227183200 /nfs/dbraw/zinc/18/32/00/227183200.db2.gz BBUFGILEMZVXSR-OAHLLOKOSA-N 1 0 302.418 2.453 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378418182 227212327 /nfs/dbraw/zinc/21/23/27/227212327.db2.gz COKIULPRUVMTGB-PBHICJAKSA-N 1 0 307.390 2.219 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1OC ZINC000378448089 227214009 /nfs/dbraw/zinc/21/40/09/227214009.db2.gz BLTJCDFFFBIMGE-LBPRGKRZSA-N 1 0 303.362 2.300 20 10 DECDRO CC[C@H](C(=O)NCc1cccc(Br)c1O)[NH+](C)C ZINC000277564700 287498367 /nfs/dbraw/zinc/49/83/67/287498367.db2.gz PVMCFMMSVKEBTJ-LLVKDONJSA-N 1 0 315.211 2.111 20 10 DECDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000834896614 649858588 /nfs/dbraw/zinc/85/85/88/649858588.db2.gz LXMCZFJOPJQHRA-DMDPSCGWSA-N 1 0 305.296 2.211 20 10 DECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(=O)N1CCOCC1 ZINC000273559629 273723155 /nfs/dbraw/zinc/72/31/55/273723155.db2.gz HVVAAZPLSZVDNU-GDBMZVCRSA-N 1 0 320.433 2.297 20 10 DECDRO CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000236806691 276012690 /nfs/dbraw/zinc/01/26/90/276012690.db2.gz VBIUCHNPGLNPFF-QGZVFWFLSA-N 1 0 303.450 2.438 20 10 DECDRO CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000180069385 279372001 /nfs/dbraw/zinc/37/20/01/279372001.db2.gz IJPNGZXUGBDRIC-HNNXBMFYSA-N 1 0 323.868 2.257 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525655 280209003 /nfs/dbraw/zinc/20/90/03/280209003.db2.gz DYCUUAPCTYIUCV-IUODEOHRSA-N 1 0 316.401 2.187 20 10 DECDRO COC(=O)[C@@H](CC(C)C)NCc1cc(OC)c(OC)cc1O ZINC000276361063 334076199 /nfs/dbraw/zinc/07/61/99/334076199.db2.gz ALXWMGFHEINCII-GFCCVEGCSA-N 1 0 311.378 2.087 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000377699819 534200375 /nfs/dbraw/zinc/20/03/75/534200375.db2.gz NUPOOTWETCJPRY-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCCC2=O)cc1 ZINC000835034297 649869387 /nfs/dbraw/zinc/86/93/87/649869387.db2.gz SPNGHOLEALHKRP-ZZXKWVIFSA-N 1 0 301.434 2.368 20 10 DECDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182525274 520739164 /nfs/dbraw/zinc/73/91/64/520739164.db2.gz HYIZONGMVOAXMK-CYBMUJFWSA-N 1 0 306.406 2.210 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181163196 522047185 /nfs/dbraw/zinc/04/71/85/522047185.db2.gz DFBRTRNKGAPJLG-LUIPGBGBSA-N 1 0 304.390 2.100 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000130994602 522182226 /nfs/dbraw/zinc/18/22/26/522182226.db2.gz PTDCINNTSAPPHH-INIZCTEOSA-N 1 0 321.440 2.046 20 10 DECDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160572016 522566604 /nfs/dbraw/zinc/56/66/04/522566604.db2.gz MCBOTOCEVRLXIG-ZDUSSCGKSA-N 1 0 317.355 2.472 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000127210048 524152271 /nfs/dbraw/zinc/15/22/71/524152271.db2.gz AVMKLNLLFFRBMG-AWEZNQCLSA-N 1 0 301.365 2.325 20 10 DECDRO COc1ccc(N2CC[NH+](CCn3ccnc3C)CC2)cc1F ZINC000270818948 524425697 /nfs/dbraw/zinc/42/56/97/524425697.db2.gz ASCCBPCIJVREEC-UHFFFAOYSA-N 1 0 318.396 2.161 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C[N@@H+]1C1CC1 ZINC000130694639 525253571 /nfs/dbraw/zinc/25/35/71/525253571.db2.gz ASZPGXIJGABGPY-TZMCWYRMSA-N 1 0 303.406 2.159 20 10 DECDRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(C)n1-c1ccccn1 ZINC000237533013 526262391 /nfs/dbraw/zinc/26/23/91/526262391.db2.gz BXCYTXMISLFAAQ-GXTWGEPZSA-N 1 0 312.417 2.312 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000180086877 526348193 /nfs/dbraw/zinc/34/81/93/526348193.db2.gz NDHWDRRASKLMRY-GFCCVEGCSA-N 1 0 316.380 2.449 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000295315819 535187408 /nfs/dbraw/zinc/18/74/08/535187408.db2.gz YRKITHNXIPGAQU-ZBFHGGJFSA-N 1 0 320.433 2.288 20 10 DECDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000273383994 536412095 /nfs/dbraw/zinc/41/20/95/536412095.db2.gz IYOZGUWKNRTXJJ-NSHDSACASA-N 1 0 308.378 2.282 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000835038427 649870285 /nfs/dbraw/zinc/87/02/85/649870285.db2.gz AITOYWMMJZZCIX-JXCVUKRWSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(N(C)C)CCOCC2)cc1 ZINC000835041743 649870948 /nfs/dbraw/zinc/87/09/48/649870948.db2.gz ZYFMXBDGLRJTPF-WAYWQWQTSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000835055569 649873019 /nfs/dbraw/zinc/87/30/19/649873019.db2.gz WPCRBOWWRLRREA-CJISVDGZSA-N 1 0 317.477 2.202 20 10 DECDRO C[C@H](O)C[N@@H+]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835054842 649873020 /nfs/dbraw/zinc/87/30/20/649873020.db2.gz RTGCRKJJRAAQAU-CSLAMCDYSA-N 1 0 317.477 2.153 20 10 DECDRO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000166250037 625353414 /nfs/dbraw/zinc/35/34/14/625353414.db2.gz GIWNTNCELDYYBJ-OAHLLOKOSA-N 1 0 319.449 2.089 20 10 DECDRO CCS(=O)(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840889577 625435759 /nfs/dbraw/zinc/43/57/59/625435759.db2.gz RWKIDNKWFDZPKK-JQWIXIFHSA-N 1 0 315.410 2.494 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)c(O)c1OC ZINC000892863766 625670913 /nfs/dbraw/zinc/67/09/13/625670913.db2.gz QZPPNYSTIANPCK-CQSZACIVSA-N 1 0 309.406 2.440 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC=CO2)[NH+](C)C)cc1 ZINC000891247185 623791911 /nfs/dbraw/zinc/79/19/11/623791911.db2.gz GSYRLZPMJAHGBX-IAGOWNOFSA-N 1 0 317.433 2.164 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)C2=COCCC2)[NH+](C)C)cc1 ZINC000891251042 623797687 /nfs/dbraw/zinc/79/76/87/623797687.db2.gz CJCQLNIZULKKTE-KRWDZBQOSA-N 1 0 317.433 2.166 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCS2)[NH+](C)C)cc1 ZINC000891253085 623798199 /nfs/dbraw/zinc/79/81/99/623798199.db2.gz QKBSIFJPNLZMNE-HOTGVXAUSA-N 1 0 321.490 2.367 20 10 DECDRO Cc1ocnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254802 623801613 /nfs/dbraw/zinc/80/16/13/623801613.db2.gz JWGOHORLFZZLIE-HNNXBMFYSA-N 1 0 316.405 2.082 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccoc2)[NH+](C)C)cc1 ZINC000891255195 623801886 /nfs/dbraw/zinc/80/18/86/623801886.db2.gz NQJZAOUGEJCNMT-INIZCTEOSA-N 1 0 301.390 2.378 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891563310 624479570 /nfs/dbraw/zinc/47/95/70/624479570.db2.gz CTLBZNKQDVRCSM-IAGOWNOFSA-N 1 0 316.449 2.097 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000892069440 624768684 /nfs/dbraw/zinc/76/86/84/624768684.db2.gz KOIYFLRCNSJXQF-ZIAGYGMSSA-N 1 0 323.824 2.472 20 10 DECDRO COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784089 /nfs/dbraw/zinc/78/40/89/624784089.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 1 0 308.422 2.324 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(C)=O)C[C@H]23)cc1C ZINC001026158677 625160395 /nfs/dbraw/zinc/16/03/95/625160395.db2.gz YMUBOSFHYPZAQR-IXDOHACOSA-N 1 0 302.418 2.350 20 10 DECDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)c(O)c1OC ZINC000892991285 625848480 /nfs/dbraw/zinc/84/84/80/625848480.db2.gz FPPDVUJZPCERME-MRXNPFEDSA-N 1 0 323.414 2.468 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000162269366 632952003 /nfs/dbraw/zinc/95/20/03/632952003.db2.gz ZAWZCLNYAGVNBN-HUUCEWRRSA-N 1 0 312.417 2.489 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000734286018 633356147 /nfs/dbraw/zinc/35/61/47/633356147.db2.gz XWZDNFKARMHQHA-OAHLLOKOSA-N 1 0 316.449 2.131 20 10 DECDRO CN1CCCc2cc(C[NH2+]Cc3cnc4n3CCOC4)ccc21 ZINC000921625812 633822105 /nfs/dbraw/zinc/82/21/05/633822105.db2.gz RJKWYWMGXNORCG-UHFFFAOYSA-N 1 0 312.417 2.086 20 10 DECDRO CC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001033636 635392472 /nfs/dbraw/zinc/39/24/72/635392472.db2.gz ZHVKBLRDEGELPK-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368365 635911397 /nfs/dbraw/zinc/91/13/97/635911397.db2.gz PHBZEJWTINRYRW-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1C1CCC1 ZINC000922299793 636069200 /nfs/dbraw/zinc/06/92/00/636069200.db2.gz RLBQHVRMSXPGLL-INIZCTEOSA-N 1 0 300.402 2.255 20 10 DECDRO COc1cc(C[NH2+]CC[C@H]2CNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000922778449 636391704 /nfs/dbraw/zinc/39/17/04/636391704.db2.gz DNGJYCOQLBNPFM-GFCCVEGCSA-N 1 0 320.433 2.314 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c(O)c1 ZINC000894185515 636398425 /nfs/dbraw/zinc/39/84/25/636398425.db2.gz PPVPJJPXERLEOK-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207993 636434569 /nfs/dbraw/zinc/43/45/69/636434569.db2.gz CELCVDVORIJDLR-ZWNOBZJWSA-N 1 0 316.323 2.036 20 10 DECDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256795 636581963 /nfs/dbraw/zinc/58/19/63/636581963.db2.gz WODLAQRHLVLGOC-ZIAGYGMSSA-N 1 0 312.360 2.205 20 10 DECDRO COc1cc(C)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1O ZINC000894258998 636588558 /nfs/dbraw/zinc/58/85/58/636588558.db2.gz ONWDVZFAQKVUBT-UHFFFAOYSA-N 1 0 313.397 2.329 20 10 DECDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000894287532 636700001 /nfs/dbraw/zinc/70/00/01/636700001.db2.gz VMZNQPXWYVYDHQ-LSDHHAIUSA-N 1 0 318.465 2.455 20 10 DECDRO Oc1cncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000922976645 636895169 /nfs/dbraw/zinc/89/51/69/636895169.db2.gz DTWIAFOSSUPJLF-UHFFFAOYSA-N 1 0 317.364 2.053 20 10 DECDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(O)c1OC ZINC000894446669 637042991 /nfs/dbraw/zinc/04/29/91/637042991.db2.gz SPCKNZDRFXJOME-UKRRQHHQSA-N 1 0 320.433 2.468 20 10 DECDRO COC(=O)c1c(C[NH2+]CCC(C)(C)O)c2cc(F)ccc2n1C ZINC000894490157 637068052 /nfs/dbraw/zinc/06/80/52/637068052.db2.gz CKYZYVBGBOCCOU-UHFFFAOYSA-N 1 0 322.380 2.355 20 10 DECDRO COc1cc(C)cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)c1O ZINC000894589844 637113970 /nfs/dbraw/zinc/11/39/70/637113970.db2.gz JENCEVQCARVERW-UHFFFAOYSA-N 1 0 315.373 2.352 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000894610507 637126020 /nfs/dbraw/zinc/12/60/20/637126020.db2.gz FMZDTBKDIXHYNK-UHFFFAOYSA-N 1 0 315.421 2.195 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000894866470 637273856 /nfs/dbraw/zinc/27/38/56/637273856.db2.gz RPMBIJKDQXXQGP-MSOLQXFVSA-N 1 0 321.417 2.119 20 10 DECDRO NC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000895007489 637381300 /nfs/dbraw/zinc/38/13/00/637381300.db2.gz ZSZHCCUWKDVGQI-JKSUJKDBSA-N 1 0 314.360 2.232 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000320017965 637409619 /nfs/dbraw/zinc/40/96/19/637409619.db2.gz FSNNWIMSANKDEN-QGZVFWFLSA-N 1 0 314.433 2.109 20 10 DECDRO C[C@H](F)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895052146 637422846 /nfs/dbraw/zinc/42/28/46/637422846.db2.gz SKDUUZLSCRMGHU-BBRMVZONSA-N 1 0 324.444 2.403 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000320040952 637527577 /nfs/dbraw/zinc/52/75/77/637527577.db2.gz KMGBZWVOBOPIKZ-RTBURBONSA-N 1 0 315.461 2.240 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000839197115 637822244 /nfs/dbraw/zinc/82/22/44/637822244.db2.gz UOCGAISVFIWROW-NJAFHUGGSA-N 1 0 315.461 2.489 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1OC ZINC000895308761 637911228 /nfs/dbraw/zinc/91/12/28/637911228.db2.gz BPQLBEZMCKIVAE-BVPBIZIASA-N 1 0 320.433 2.056 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1F ZINC000895315751 637919049 /nfs/dbraw/zinc/91/90/49/637919049.db2.gz JHSMQPQGMPZSCJ-OAHLLOKOSA-N 1 0 307.413 2.286 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Cl)c1 ZINC000840911683 650378146 /nfs/dbraw/zinc/37/81/46/650378146.db2.gz MPPINLMIGDIRIK-GFCCVEGCSA-N 1 0 323.824 2.344 20 10 DECDRO O=C1N(CC[NH2+]Cc2cc(Cl)ccc2O)C[C@H]2CCCCN12 ZINC000895344726 637950682 /nfs/dbraw/zinc/95/06/82/637950682.db2.gz WLMDRTSVUPRLKT-CQSZACIVSA-N 1 0 323.824 2.425 20 10 DECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895394179 637997667 /nfs/dbraw/zinc/99/76/67/637997667.db2.gz VZVKWVSFHQCEQV-CQSZACIVSA-N 1 0 305.374 2.451 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000840942947 650391518 /nfs/dbraw/zinc/39/15/18/650391518.db2.gz BOZSORUUPNVVES-DOTOQJQBSA-N 1 0 308.466 2.309 20 10 DECDRO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840979975 650399795 /nfs/dbraw/zinc/39/97/95/650399795.db2.gz VUHLFOWDAFFBSC-JKSUJKDBSA-N 1 0 322.424 2.303 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895835164 638225659 /nfs/dbraw/zinc/22/56/59/638225659.db2.gz ADJBJEBHIKIRHA-CYBMUJFWSA-N 1 0 305.296 2.148 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCn3nccc32)c(O)c1OC ZINC000895879894 638242002 /nfs/dbraw/zinc/24/20/02/638242002.db2.gz DRNROULSVHWANB-GFCCVEGCSA-N 1 0 303.362 2.231 20 10 DECDRO CC(C)C[C@@H](CN)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841038850 650411135 /nfs/dbraw/zinc/41/11/35/650411135.db2.gz RPFCWJPQTPVXBS-NSHDSACASA-N 1 0 301.774 2.417 20 10 DECDRO COCc1cnc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841045116 650413620 /nfs/dbraw/zinc/41/36/20/650413620.db2.gz IBNXXYGDCDJOBO-HNNXBMFYSA-N 1 0 320.462 2.145 20 10 DECDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896267814 638443081 /nfs/dbraw/zinc/44/30/81/638443081.db2.gz OEBDUVZCNAKGKO-JTQLQIEISA-N 1 0 320.414 2.384 20 10 DECDRO CC(C)(C)[NH2+]CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841093639 650428841 /nfs/dbraw/zinc/42/88/41/650428841.db2.gz BYRDICGTKJPVMX-UHFFFAOYSA-N 1 0 309.429 2.140 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000896382189 638495452 /nfs/dbraw/zinc/49/54/52/638495452.db2.gz UXAFRNZKKYOHJO-QGZUEGPWSA-N 1 0 302.418 2.461 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1 ZINC000896394792 638500199 /nfs/dbraw/zinc/50/01/99/638500199.db2.gz FVWFBDWVQCEJJA-YOEHRIQHSA-N 1 0 304.390 2.411 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000896619035 638609743 /nfs/dbraw/zinc/60/97/43/638609743.db2.gz SOIFTWMTNRWPAC-QGZVFWFLSA-N 1 0 305.466 2.261 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897261508 639294910 /nfs/dbraw/zinc/29/49/10/639294910.db2.gz HOUUPIMVUMMXNL-HNNXBMFYSA-N 1 0 321.417 2.297 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C[C@H]3C[C@H]3C)CC2)cc1 ZINC000754119554 639390924 /nfs/dbraw/zinc/39/09/24/639390924.db2.gz CUJWFCZQIKZKHC-HZPDHXFCSA-N 1 0 303.450 2.063 20 10 DECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756355348 639653997 /nfs/dbraw/zinc/65/39/97/639653997.db2.gz MURVFYIIDSJTQY-DTWKUNHWSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000756368984 639654858 /nfs/dbraw/zinc/65/48/58/639654858.db2.gz AIFLQPKETQWAHD-JFGNBEQYSA-N 1 0 313.394 2.104 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)cc1O ZINC000756434368 639661816 /nfs/dbraw/zinc/66/18/16/639661816.db2.gz MCPRNOIWNSLZTJ-KOLCDFICSA-N 1 0 316.195 2.221 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCOC[C@@H]2C)c2c1c(F)ccc2O ZINC000756536843 639670339 /nfs/dbraw/zinc/67/03/39/639670339.db2.gz VZJQQAISWNVENH-MBNYWOFBSA-N 1 0 308.397 2.390 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756703278 639686972 /nfs/dbraw/zinc/68/69/72/639686972.db2.gz AWTWBXWBFMJHBU-NHCYSSNCSA-N 1 0 315.410 2.492 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CN(C)CCO1 ZINC000756760212 639693138 /nfs/dbraw/zinc/69/31/38/639693138.db2.gz POECNJYJTNSHSA-UQFNBPPOSA-N 1 0 308.397 2.388 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1C ZINC000756786025 639694665 /nfs/dbraw/zinc/69/46/65/639694665.db2.gz HYBBEVRSRCCQRY-SQWLQELKSA-N 1 0 320.433 2.295 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CC(C)(C)C2)cc1 ZINC000839618296 639772216 /nfs/dbraw/zinc/77/22/16/639772216.db2.gz GCXGZSONUYOTJG-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000841653212 650530178 /nfs/dbraw/zinc/53/01/78/650530178.db2.gz IBROEDLFIVWAID-INIZCTEOSA-N 1 0 306.454 2.267 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841654791 650530272 /nfs/dbraw/zinc/53/02/72/650530272.db2.gz POKRSOLTXYMEFK-QGZVFWFLSA-N 1 0 312.417 2.252 20 10 DECDRO O=C1NCCc2ccc(C[NH2+]Cc3cc(F)ccc3O)cc21 ZINC000757939237 639898711 /nfs/dbraw/zinc/89/87/11/639898711.db2.gz IVKYFCCPASXMPB-UHFFFAOYSA-N 1 0 300.333 2.107 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1 ZINC000758981455 640016272 /nfs/dbraw/zinc/01/62/72/640016272.db2.gz GVNOHBKSXDYTKP-UHFFFAOYSA-N 1 0 316.380 2.260 20 10 DECDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710491 650548139 /nfs/dbraw/zinc/54/81/39/650548139.db2.gz XFFUMHSXSSMTJI-HOCLYGCPSA-N 1 0 316.449 2.166 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000841719701 650551087 /nfs/dbraw/zinc/55/10/87/650551087.db2.gz OVIDSVFHESXBSS-HUUCEWRRSA-N 1 0 318.465 2.425 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCCSc1nccs1 ZINC000759573386 640085977 /nfs/dbraw/zinc/08/59/77/640085977.db2.gz FQWCKSDOPCMLHQ-NSHDSACASA-N 1 0 316.496 2.265 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1 ZINC000841719186 650551334 /nfs/dbraw/zinc/55/13/34/650551334.db2.gz FOSPLCFMMAUYSL-UHFFFAOYSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000841710083 650547068 /nfs/dbraw/zinc/54/70/68/650547068.db2.gz SGXYJJZNQMSBFJ-WMLDXEAASA-N 1 0 316.449 2.166 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C2COC(C)(C)OC2)c1O ZINC000761216766 640286695 /nfs/dbraw/zinc/28/66/95/640286695.db2.gz RADHTNGXSMBYSI-UHFFFAOYSA-N 1 0 301.770 2.295 20 10 DECDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000841826155 650572414 /nfs/dbraw/zinc/57/24/14/650572414.db2.gz DBQPZUXBPNYWBO-HNNXBMFYSA-N 1 0 318.465 2.202 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841823850 650571118 /nfs/dbraw/zinc/57/11/18/650571118.db2.gz HYOCESSMSXAYNY-HNNXBMFYSA-N 1 0 304.438 2.002 20 10 DECDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000841823703 650571161 /nfs/dbraw/zinc/57/11/61/650571161.db2.gz GXLZDOCXHKFULF-QGZVFWFLSA-N 1 0 318.465 2.345 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841828650 650574065 /nfs/dbraw/zinc/57/40/65/650574065.db2.gz XFYIMFITLNWFNX-OAHLLOKOSA-N 1 0 306.454 2.234 20 10 DECDRO CC1CC[NH+](CC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000762167515 640397745 /nfs/dbraw/zinc/39/77/45/640397745.db2.gz KIZNMRZOTFWJQI-UHFFFAOYSA-N 1 0 315.461 2.417 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1N ZINC000841845654 650577717 /nfs/dbraw/zinc/57/77/17/650577717.db2.gz CMRRHJIHNAKGLN-QGZVFWFLSA-N 1 0 312.417 2.073 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2cc(CO)ccn2)[NH+](C)C)cc1 ZINC000897523631 640543042 /nfs/dbraw/zinc/54/30/42/640543042.db2.gz WANRNKFFCQBFGE-QGZVFWFLSA-N 1 0 314.433 2.355 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763558530 640552719 /nfs/dbraw/zinc/55/27/19/640552719.db2.gz KPLMFOLUTFHGLY-LRDDRELGSA-N 1 0 309.406 2.229 20 10 DECDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841882908 650592093 /nfs/dbraw/zinc/59/20/93/650592093.db2.gz PIAFVVXFXWVAKT-IHRRRGAJSA-N 1 0 304.438 2.192 20 10 DECDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000841892205 650595653 /nfs/dbraw/zinc/59/56/53/650595653.db2.gz VBQIXCQXDUAGKJ-WBXGCANISA-N 1 0 317.477 2.153 20 10 DECDRO C[NH2+]CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841916173 650601931 /nfs/dbraw/zinc/60/19/31/650601931.db2.gz ZTDAQOYTPUKHNL-UHFFFAOYSA-N 1 0 318.465 2.428 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000841915366 650601965 /nfs/dbraw/zinc/60/19/65/650601965.db2.gz FNZFXMOITXXZCX-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000765386023 640771452 /nfs/dbraw/zinc/77/14/52/640771452.db2.gz QYIFDTUPSLIECS-MNOVXSKESA-N 1 0 317.355 2.470 20 10 DECDRO COC(=O)COc1ccc(N(C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841020326 640822149 /nfs/dbraw/zinc/82/21/49/640822149.db2.gz KDMVSZXCFWACTN-ZIAGYGMSSA-N 1 0 306.406 2.063 20 10 DECDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977370 640835524 /nfs/dbraw/zinc/83/55/24/640835524.db2.gz GSDIQGUKCBIDDG-CQSZACIVSA-N 1 0 322.474 2.200 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000841954835 650611266 /nfs/dbraw/zinc/61/12/66/650611266.db2.gz WKUFSEKARXEMOO-RYUDHWBXSA-N 1 0 309.410 2.134 20 10 DECDRO C[NH+](C)C1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897667246 640898670 /nfs/dbraw/zinc/89/86/70/640898670.db2.gz LTFRXACELKXWJE-UHFFFAOYSA-N 1 0 306.387 2.135 20 10 DECDRO COc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c(O)c1OC ZINC000897774987 640922047 /nfs/dbraw/zinc/92/20/47/640922047.db2.gz WYXTUNZWXPOADA-FFLHNBHYSA-N 1 0 307.390 2.457 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000841980747 650618955 /nfs/dbraw/zinc/61/89/55/650618955.db2.gz FEZHYLQWXTZPCU-ZIAGYGMSSA-N 1 0 317.433 2.340 20 10 DECDRO Cc1cc(O)c(CN2CCN(C)CC[N@@H+](C)CC2)cc1Cl ZINC000897858886 640954040 /nfs/dbraw/zinc/95/40/40/640954040.db2.gz NXFHRXWUDBPMFB-UHFFFAOYSA-N 1 0 311.857 2.033 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c(O)c1 ZINC000898116191 641025355 /nfs/dbraw/zinc/02/53/55/641025355.db2.gz NWILDTOQXMHNHE-INIZCTEOSA-N 1 0 307.390 2.219 20 10 DECDRO CN(C)c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000768250730 641061924 /nfs/dbraw/zinc/06/19/24/641061924.db2.gz BKCKZHUJKNHQRJ-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(O)cc1C ZINC000768463386 641084439 /nfs/dbraw/zinc/08/44/39/641084439.db2.gz HXVLGRVZUMXOII-MRXNPFEDSA-N 1 0 321.417 2.479 20 10 DECDRO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000768521429 641092353 /nfs/dbraw/zinc/09/23/53/641092353.db2.gz QCZSJUSSJDFIIV-QGZVFWFLSA-N 1 0 304.434 2.382 20 10 DECDRO c1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc2c1OCC2 ZINC000769415581 641236468 /nfs/dbraw/zinc/23/64/68/641236468.db2.gz VXMLHIUMSOZQQY-MRXNPFEDSA-N 1 0 303.402 2.439 20 10 DECDRO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(O)c1O ZINC000770487099 641375862 /nfs/dbraw/zinc/37/58/62/641375862.db2.gz ORDUEZADMULYTH-UHFFFAOYSA-N 1 0 318.417 2.497 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000770752325 641416518 /nfs/dbraw/zinc/41/65/18/641416518.db2.gz MHVPCAMJTCQCRU-RHSMWYFYSA-N 1 0 307.390 2.219 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnn(C(C)(C)C)c2)cc1 ZINC000841044766 641466398 /nfs/dbraw/zinc/46/63/98/641466398.db2.gz YUDXNIAYOLPBFW-KRWDZBQOSA-N 1 0 315.465 2.494 20 10 DECDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924709699 641614067 /nfs/dbraw/zinc/61/40/67/641614067.db2.gz ZAENAASHEZXMJV-INIZCTEOSA-N 1 0 322.474 2.481 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2COCC2(C)C)N(C)C)cc1 ZINC000898449584 641661204 /nfs/dbraw/zinc/66/12/04/641661204.db2.gz HVSKVHYVDISEDB-IAGOWNOFSA-N 1 0 305.466 2.370 20 10 DECDRO Cc1nc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]c1C ZINC000898448473 641661268 /nfs/dbraw/zinc/66/12/68/641661268.db2.gz UENUMPQLCDIAMA-KRWDZBQOSA-N 1 0 315.465 2.485 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@H](C)[S@@](C)=O)CC2)cc1 ZINC000773062447 641723454 /nfs/dbraw/zinc/72/34/54/641723454.db2.gz CUFUNQKPRYNLSR-RCDICMHDSA-N 1 0 324.490 2.411 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372412 641765883 /nfs/dbraw/zinc/76/58/83/641765883.db2.gz SPLYEYXNINERCT-HIFRSBDPSA-N 1 0 316.449 2.350 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000773753320 641820265 /nfs/dbraw/zinc/82/02/65/641820265.db2.gz GPTNNJMRTBDTNE-SFHVURJKSA-N 1 0 317.477 2.297 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@@](C)(COC)CC(=O)OC)cc1 ZINC000773796368 641825672 /nfs/dbraw/zinc/82/56/72/641825672.db2.gz YIMJJFHKPLSLKL-QGZVFWFLSA-N 1 0 308.422 2.201 20 10 DECDRO COCC[C@@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOC1 ZINC000773955603 641845028 /nfs/dbraw/zinc/84/50/28/641845028.db2.gz SBXYRNAWTDHFGV-MRXNPFEDSA-N 1 0 311.353 2.019 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](F)C2)[NH+](C)C)cc1 ZINC000899099116 641940488 /nfs/dbraw/zinc/94/04/88/641940488.db2.gz VQMLJHPHRLWGEF-GDBMZVCRSA-N 1 0 322.428 2.109 20 10 DECDRO CC[NH+]1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000775012353 641994019 /nfs/dbraw/zinc/99/40/19/641994019.db2.gz GXARDAOUQJUBIN-UHFFFAOYSA-N 1 0 323.393 2.131 20 10 DECDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000775382367 642036405 /nfs/dbraw/zinc/03/64/05/642036405.db2.gz VVMRTKOQZXBJHU-HOCLYGCPSA-N 1 0 309.431 2.067 20 10 DECDRO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000775484971 642050738 /nfs/dbraw/zinc/05/07/38/642050738.db2.gz LNUMITVVKUSFPI-LBPRGKRZSA-N 1 0 320.842 2.026 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1 ZINC000776176925 642139100 /nfs/dbraw/zinc/13/91/00/642139100.db2.gz FBMKFUHSFNJBED-INIZCTEOSA-N 1 0 306.406 2.137 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC000899982670 642227298 /nfs/dbraw/zinc/22/72/98/642227298.db2.gz JECAWSUZGRRQGY-DLBZAZTESA-N 1 0 301.434 2.386 20 10 DECDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467643 642269059 /nfs/dbraw/zinc/26/90/59/642269059.db2.gz MFSQCWKOQMOZND-LPHOPBHVSA-N 1 0 317.477 2.295 20 10 DECDRO O=C(NCc1ccc(N2CCCCC2)cc1)C12CC[NH+](CC1)C2 ZINC000900405739 642359323 /nfs/dbraw/zinc/35/93/23/642359323.db2.gz ZYVLDPJPARBHAI-UHFFFAOYSA-N 1 0 313.445 2.389 20 10 DECDRO C[N@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000779503858 642506449 /nfs/dbraw/zinc/50/64/49/642506449.db2.gz VOJWRPFXDVODSN-CSKARUKUSA-N 1 0 318.417 2.492 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c(O)cc1C ZINC000842617819 650783703 /nfs/dbraw/zinc/78/37/03/650783703.db2.gz WVAZLQQHBFXJGF-AWEZNQCLSA-N 1 0 314.389 2.186 20 10 DECDRO OCC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000783601420 643026366 /nfs/dbraw/zinc/02/63/66/643026366.db2.gz XPOBBCVWIACGPH-GOSISDBHSA-N 1 0 318.461 2.412 20 10 DECDRO O=C1NCC2(CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)O1 ZINC000902500608 643054100 /nfs/dbraw/zinc/05/41/00/643054100.db2.gz FZXUKNIQVFNZNI-UHFFFAOYSA-N 1 0 316.401 2.345 20 10 DECDRO COc1cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)cc1C ZINC000902508275 643055491 /nfs/dbraw/zinc/05/54/91/643055491.db2.gz BQRSAQMKJRTNHP-UHFFFAOYSA-N 1 0 320.389 2.174 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000104900861 650821731 /nfs/dbraw/zinc/82/17/31/650821731.db2.gz DLPSSTZTOKDDKU-WFASDCNBSA-N 1 0 306.406 2.452 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000903342808 643319770 /nfs/dbraw/zinc/31/97/70/643319770.db2.gz KRBNNZOVHOFDEJ-ZIAGYGMSSA-N 1 0 308.422 2.162 20 10 DECDRO Cn1cc([C@]2(C[NH2+][C@H]3CCc4cccc(O)c43)CCCO2)cn1 ZINC000903359037 643326633 /nfs/dbraw/zinc/32/66/33/643326633.db2.gz CGORPFRLKRCNAO-MAUKXSAKSA-N 1 0 313.401 2.409 20 10 DECDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1O ZINC000903375650 643334510 /nfs/dbraw/zinc/33/45/10/643334510.db2.gz XCYBUMUKEKJADU-ZDUSSCGKSA-N 1 0 307.390 2.091 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000903390862 643339169 /nfs/dbraw/zinc/33/91/69/643339169.db2.gz UUERQULITCVMFM-IUODEOHRSA-N 1 0 307.390 2.390 20 10 DECDRO C[C@@H]1OC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC000903447828 643354824 /nfs/dbraw/zinc/35/48/24/643354824.db2.gz CWGHXCNOSHMVSU-BODMPHMZSA-N 1 0 305.466 2.368 20 10 DECDRO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncc[nH]1 ZINC000903448192 643354864 /nfs/dbraw/zinc/35/48/64/643354864.db2.gz LWAOQEKCENEUQK-XJKSGUPXSA-N 1 0 301.438 2.429 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CN3C[C@@H]2CCC3)N(C)C)cc1 ZINC000903449388 643355647 /nfs/dbraw/zinc/35/56/47/643355647.db2.gz YGEDADJZOPPMFU-WDSOQIARSA-N 1 0 316.493 2.039 20 10 DECDRO CC[C@@H]1COC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449015 643355676 /nfs/dbraw/zinc/35/56/76/643355676.db2.gz VIHRFSODJBRROZ-FHLIZLRMSA-N 1 0 305.466 2.370 20 10 DECDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000787728131 643533020 /nfs/dbraw/zinc/53/30/20/643533020.db2.gz CALAYBYYJQFDHS-UHFFFAOYSA-N 1 0 324.421 2.365 20 10 DECDRO CC1(C)CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000788580817 643625530 /nfs/dbraw/zinc/62/55/30/643625530.db2.gz NRAHBFRTQOJRDU-UHFFFAOYSA-N 1 0 322.474 2.200 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)CCC3(O)CCC3)ccc21 ZINC000905077328 643776462 /nfs/dbraw/zinc/77/64/62/643776462.db2.gz XINFBRQAVKEDMT-KRWDZBQOSA-N 1 0 318.461 2.215 20 10 DECDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789957671 643795235 /nfs/dbraw/zinc/79/52/35/643795235.db2.gz USUDJLWZNUWGJJ-RYUDHWBXSA-N 1 0 324.396 2.335 20 10 DECDRO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Cl)ccc1O ZINC000790740003 643887341 /nfs/dbraw/zinc/88/73/41/643887341.db2.gz UYENZMQIQABTTL-GFCCVEGCSA-N 1 0 322.796 2.408 20 10 DECDRO COc1cc(O)c(CN2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000843054324 650878516 /nfs/dbraw/zinc/87/85/16/650878516.db2.gz KRGKBEPIMDYSJR-UHFFFAOYSA-N 1 0 320.433 2.373 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c(O)cc1C ZINC000905682309 644004702 /nfs/dbraw/zinc/00/47/02/644004702.db2.gz LFKRKUVEWWFHOW-LBPRGKRZSA-N 1 0 303.362 2.390 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000905693068 644016023 /nfs/dbraw/zinc/01/60/23/644016023.db2.gz HOFMVJVNUQZGSH-ZDUSSCGKSA-N 1 0 300.358 2.135 20 10 DECDRO Oc1ccc(Br)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843105281 650894562 /nfs/dbraw/zinc/89/45/62/650894562.db2.gz RCDGHPAROKTUKL-BETUJISGSA-N 1 0 311.223 2.481 20 10 DECDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000793007089 644179051 /nfs/dbraw/zinc/17/90/51/644179051.db2.gz CSEVLCVOAQPFMK-KBPBESRZSA-N 1 0 321.421 2.073 20 10 DECDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C(F)F)c1O ZINC000843124502 650901432 /nfs/dbraw/zinc/90/14/32/650901432.db2.gz DMJIBSAHARSSTQ-SNVBAGLBSA-N 1 0 306.740 2.093 20 10 DECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)C[C@@H]21 ZINC000793645895 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CN(C)c1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000843432554 650974309 /nfs/dbraw/zinc/97/43/09/650974309.db2.gz YGDVLDKJDPCCJD-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000843486385 650982889 /nfs/dbraw/zinc/98/28/89/650982889.db2.gz ROUBSDANJUEEKL-HKUYNNGSSA-N 1 0 315.461 2.489 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799350714 645163255 /nfs/dbraw/zinc/16/32/55/645163255.db2.gz XJJONHAVAJEXKF-HNNXBMFYSA-N 1 0 301.386 2.484 20 10 DECDRO CC[N@H+]1[C@H](C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C ZINC000912024602 645907712 /nfs/dbraw/zinc/90/77/12/645907712.db2.gz RDEYVXZEOZBQCZ-UMJOLFIYSA-N 1 0 304.390 2.052 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1 ZINC000808422351 646082600 /nfs/dbraw/zinc/08/26/00/646082600.db2.gz JDZCRKZBPOGBBH-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000912808006 646171925 /nfs/dbraw/zinc/17/19/25/646171925.db2.gz SDGFRYTZQBYUDT-JSGCOSHPSA-N 1 0 306.406 2.290 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000809743508 646273511 /nfs/dbraw/zinc/27/35/11/646273511.db2.gz SYBLZFDMMIDFSY-UHFFFAOYSA-N 1 0 319.313 2.180 20 10 DECDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810172389 646334725 /nfs/dbraw/zinc/33/47/25/646334725.db2.gz HGVJZRJZZWVYAJ-KRWDZBQOSA-N 1 0 310.413 2.159 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1O ZINC000164235765 646425634 /nfs/dbraw/zinc/42/56/34/646425634.db2.gz KQTHQXKTJPZQKX-UHFFFAOYSA-N 1 0 306.406 2.152 20 10 DECDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000814173667 646857793 /nfs/dbraw/zinc/85/77/93/646857793.db2.gz NXRAVEANTIESRT-GXFFZTMASA-N 1 0 311.223 2.291 20 10 DECDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000814173670 646858100 /nfs/dbraw/zinc/85/81/00/646858100.db2.gz NXRAVEANTIESRT-ZWNOBZJWSA-N 1 0 311.223 2.291 20 10 DECDRO CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000730281517 646888984 /nfs/dbraw/zinc/88/89/84/646888984.db2.gz ZMEJRDANIHTGST-OAHLLOKOSA-N 1 0 319.449 2.042 20 10 DECDRO Cc1cc(CN2CCC[C@H](S(C)(=O)=O)C2)ccc1N(C)C ZINC000815092462 646966335 /nfs/dbraw/zinc/96/63/35/646966335.db2.gz HTPYAHNARLOGEL-HNNXBMFYSA-N 1 0 310.463 2.070 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000815094431 646966894 /nfs/dbraw/zinc/96/68/94/646966894.db2.gz AUMXKCIHIXOOBB-CVEARBPZSA-N 1 0 305.466 2.030 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000815094432 646967715 /nfs/dbraw/zinc/96/77/15/646967715.db2.gz AUMXKCIHIXOOBB-HOTGVXAUSA-N 1 0 305.466 2.030 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000324103376 647014341 /nfs/dbraw/zinc/01/43/41/647014341.db2.gz LVIVDACCRQMQIX-IBGZPJMESA-N 1 0 323.440 2.426 20 10 DECDRO CC[C@@H](CO)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816516913 647145744 /nfs/dbraw/zinc/14/57/44/647145744.db2.gz WUJONYKBTNVFEL-KRWDZBQOSA-N 1 0 314.429 2.434 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000152377503 647147914 /nfs/dbraw/zinc/14/79/14/647147914.db2.gz FTRDRGIWIOAOJY-VXGBXAGGSA-N 1 0 324.446 2.015 20 10 DECDRO OC[C@@]1([C@@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)CCCO1 ZINC000816667512 647166220 /nfs/dbraw/zinc/16/62/20/647166220.db2.gz OZTBBNJJYLALDS-JKSUJKDBSA-N 1 0 311.809 2.455 20 10 DECDRO OC[C@@]1([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)CCCO1 ZINC000816667261 647166434 /nfs/dbraw/zinc/16/64/34/647166434.db2.gz HTAQOWPSMYLARG-QZTJIDSGSA-N 1 0 303.402 2.031 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000914254151 647240941 /nfs/dbraw/zinc/24/09/41/647240941.db2.gz ALTOACGQUWYHDX-MRXNPFEDSA-N 1 0 304.438 2.036 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1c(O)cccc1F ZINC000914340602 647269150 /nfs/dbraw/zinc/26/91/50/647269150.db2.gz FPWXBVRKIKJCBY-STQMWFEESA-N 1 0 323.412 2.451 20 10 DECDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1=O ZINC000817409996 647288435 /nfs/dbraw/zinc/28/84/35/647288435.db2.gz HJQDKYIUOKFKIH-OLZOCXBDSA-N 1 0 306.406 2.310 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000914433277 647356433 /nfs/dbraw/zinc/35/64/33/647356433.db2.gz MSPIQGKVMVEFHV-NVXWUHKLSA-N 1 0 320.408 2.177 20 10 DECDRO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942251 647388736 /nfs/dbraw/zinc/38/87/36/647388736.db2.gz NKWKAMDCUSJSNR-SJORKVTESA-N 1 0 301.438 2.227 20 10 DECDRO CCn1ccnc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942244 647388990 /nfs/dbraw/zinc/38/89/90/647388990.db2.gz NKTRRWNKCWGEPV-BBRMVZONSA-N 1 0 301.438 2.320 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000817943560 647389578 /nfs/dbraw/zinc/38/95/78/647389578.db2.gz VLQTUABSEQJFGU-IAGOWNOFSA-N 1 0 313.449 2.153 20 10 DECDRO CC[NH2+]CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817951252 647391542 /nfs/dbraw/zinc/39/15/42/647391542.db2.gz CHUUVDRVYWEHQD-CYBMUJFWSA-N 1 0 311.857 2.437 20 10 DECDRO C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1[O-] ZINC000817982042 647399739 /nfs/dbraw/zinc/39/97/39/647399739.db2.gz BFKJYBHKAGWUJZ-JEYLPNPQSA-N 1 0 321.440 2.398 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(C)nc3)C2)cc1 ZINC000818221793 647435830 /nfs/dbraw/zinc/43/58/30/647435830.db2.gz UFQIEYWXLHTCNA-HNNXBMFYSA-N 1 0 312.417 2.410 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)nn3C)C2)cc1 ZINC000818222967 647436106 /nfs/dbraw/zinc/43/61/06/647436106.db2.gz ZGCQNUYEVZEHFQ-OAHLLOKOSA-N 1 0 314.433 2.353 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925423950 647559963 /nfs/dbraw/zinc/55/99/63/647559963.db2.gz HOWYCYTYGLLWJR-HNNXBMFYSA-N 1 0 305.422 2.408 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000915927414 647818966 /nfs/dbraw/zinc/81/89/66/647818966.db2.gz LZDZATPVDYBTTQ-NVXWUHKLSA-N 1 0 316.449 2.179 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000823663419 648464472 /nfs/dbraw/zinc/46/44/72/648464472.db2.gz PEXIBAMLXSFADH-OAHLLOKOSA-N 1 0 317.477 2.450 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000824287496 648559277 /nfs/dbraw/zinc/55/92/77/648559277.db2.gz ROGMRLPKRSSMLH-NSHDSACASA-N 1 0 310.394 2.404 20 10 DECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824636658 648628391 /nfs/dbraw/zinc/62/83/91/648628391.db2.gz SAFPPZAIGYGDDZ-SJLPKXTDSA-N 1 0 304.434 2.116 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000824654924 648630819 /nfs/dbraw/zinc/63/08/19/648630819.db2.gz SGHFVLXSTLAWOY-FRFSOERESA-N 1 0 321.417 2.153 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825279183 648735325 /nfs/dbraw/zinc/73/53/25/648735325.db2.gz PPLCMJIMPHHWOT-AWEZNQCLSA-N 1 0 321.421 2.027 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)nc1 ZINC000825305225 648738920 /nfs/dbraw/zinc/73/89/20/648738920.db2.gz DTYMMQRJVGTRFV-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(CS(C)(=O)=O)CC2)cc1Cl ZINC000825331126 648743105 /nfs/dbraw/zinc/74/31/05/648743105.db2.gz IVNMTKHUTKCWJW-UHFFFAOYSA-N 1 0 317.838 2.268 20 10 DECDRO C[N@@H+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCC1(C)C ZINC000825349450 648746693 /nfs/dbraw/zinc/74/66/93/648746693.db2.gz DEQFOKPGVFQFOJ-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000825973294 648833266 /nfs/dbraw/zinc/83/32/66/648833266.db2.gz BANPINAQHWHERC-HXUWFJFHSA-N 1 0 323.440 2.300 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CCCO)cc1Cl ZINC000826037178 648841379 /nfs/dbraw/zinc/84/13/79/648841379.db2.gz XDPPRFFTMBNXPS-AWEZNQCLSA-N 1 0 312.841 2.290 20 10 DECDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)c(O)c1O ZINC000182437317 648907441 /nfs/dbraw/zinc/90/74/41/648907441.db2.gz HKZHFEBYVPFMPK-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000826781348 648926401 /nfs/dbraw/zinc/92/64/01/648926401.db2.gz YIKIFCBPZRJTEU-UHFFFAOYSA-N 1 0 302.374 2.161 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)OC)cc1F ZINC000826967367 648954264 /nfs/dbraw/zinc/95/42/64/648954264.db2.gz OOMQUJCKHIGXOK-ZBFHGGJFSA-N 1 0 324.396 2.092 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@@H]21 ZINC000827234160 648998705 /nfs/dbraw/zinc/99/87/05/648998705.db2.gz XAUMFRLHETZAPE-OCCSQVGLSA-N 1 0 315.377 2.015 20 10 DECDRO COC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000827500888 649043880 /nfs/dbraw/zinc/04/38/80/649043880.db2.gz NCZYYENYOFFPEA-OTVXOJSOSA-N 1 0 318.417 2.205 20 10 DECDRO Cc1cc(O)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000827698661 649070493 /nfs/dbraw/zinc/07/04/93/649070493.db2.gz ALFODENUUNETGP-HNNXBMFYSA-N 1 0 324.852 2.385 20 10 DECDRO Cc1cc(O)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000827699523 649070919 /nfs/dbraw/zinc/07/09/19/649070919.db2.gz IGOGCFTVTATESN-AWEZNQCLSA-N 1 0 324.852 2.385 20 10 DECDRO COC(=O)[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000827812422 649089628 /nfs/dbraw/zinc/08/96/28/649089628.db2.gz NCZYYENYOFFPEA-CTYIDZIISA-N 1 0 318.417 2.205 20 10 DECDRO C[C@H]([NH3+])CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003560 649258388 /nfs/dbraw/zinc/25/83/88/649258388.db2.gz PEKLRWBBUUEJCZ-ZFWWWQNUSA-N 1 0 306.406 2.027 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](C)[NH3+] ZINC000830799310 649497990 /nfs/dbraw/zinc/49/79/90/649497990.db2.gz VRVWWANEUGDAIS-SECBINFHSA-N 1 0 315.211 2.241 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1F ZINC000831031225 649531182 /nfs/dbraw/zinc/53/11/82/649531182.db2.gz MXPGYAOMIMEWQE-KRWDZBQOSA-N 1 0 322.428 2.223 20 10 DECDRO COc1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c(O)c1 ZINC000832178018 649681711 /nfs/dbraw/zinc/68/17/11/649681711.db2.gz KYDMSQFXPPSKDF-GFCCVEGCSA-N 1 0 306.406 2.043 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccncc2Cl)cc1 ZINC000832267677 649691075 /nfs/dbraw/zinc/69/10/75/649691075.db2.gz ZBEKXTSZDIYYQC-HNNXBMFYSA-N 1 0 318.808 2.231 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnc(C3CC3)c2)cc1 ZINC000832284801 649692290 /nfs/dbraw/zinc/69/22/90/649692290.db2.gz MPWWXQZARLDJPH-QGZVFWFLSA-N 1 0 324.428 2.455 20 10 DECDRO CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834496957 649807397 /nfs/dbraw/zinc/80/73/97/649807397.db2.gz SXVMDSIPWWYMRF-JKSUJKDBSA-N 1 0 304.434 2.326 20 10 DECDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834680575 649829934 /nfs/dbraw/zinc/82/99/34/649829934.db2.gz AVYHGMZTCOMRMW-OLZOCXBDSA-N 1 0 324.446 2.111 20 10 DECDRO COC(=O)C1(C[N@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844401197 651123197 /nfs/dbraw/zinc/12/31/97/651123197.db2.gz IQLFCIKVJSPUMA-UHFFFAOYSA-N 1 0 306.406 2.016 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(OC)nn2)cc1 ZINC000844400491 651123277 /nfs/dbraw/zinc/12/32/77/651123277.db2.gz CTNYPCYEPUEHLY-UHFFFAOYSA-N 1 0 316.405 2.062 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901143 651180704 /nfs/dbraw/zinc/18/07/04/651180704.db2.gz FLDSJNHNLJGQLT-DGCLKSJQSA-N 1 0 323.393 2.258 20 10 DECDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+](C)C1CC1 ZINC000844951624 651187241 /nfs/dbraw/zinc/18/72/41/651187241.db2.gz DCBNJLAMOLTPHM-JTQLQIEISA-N 1 0 311.813 2.328 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC([C@H](C)CO)CC2)cc1OC ZINC000846057830 651304780 /nfs/dbraw/zinc/30/47/80/651304780.db2.gz KJVIEHDKYLRYTE-GFCCVEGCSA-N 1 0 309.406 2.250 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)cn1C ZINC000846056289 651304940 /nfs/dbraw/zinc/30/49/40/651304940.db2.gz SQYVCOXJZOOSCQ-UHFFFAOYSA-N 1 0 308.765 2.461 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846108605 651308533 /nfs/dbraw/zinc/30/85/33/651308533.db2.gz QBAYZTGEGYERBW-CQSZACIVSA-N 1 0 314.385 2.267 20 10 DECDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000846123435 651309473 /nfs/dbraw/zinc/30/94/73/651309473.db2.gz RUOQBBRLUMSRTF-AWEZNQCLSA-N 1 0 302.349 2.397 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846135648 651310309 /nfs/dbraw/zinc/31/03/09/651310309.db2.gz FIYDUPRSMFDRJE-UHFFFAOYSA-N 1 0 318.465 2.461 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000846172984 651313159 /nfs/dbraw/zinc/31/31/59/651313159.db2.gz OQRDVVRECNZAKT-SJCJKPOMSA-N 1 0 309.406 2.229 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000846673141 651344685 /nfs/dbraw/zinc/34/46/85/651344685.db2.gz OFCBWWCHFZMUDO-UHFFFAOYSA-N 1 0 311.429 2.492 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[NH2+]CC1 ZINC000846677013 651345227 /nfs/dbraw/zinc/34/52/27/651345227.db2.gz MGNIBXZPOXSIQX-CQSZACIVSA-N 1 0 302.418 2.277 20 10 DECDRO COc1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(OC)c1 ZINC000846748584 651348956 /nfs/dbraw/zinc/34/89/56/651348956.db2.gz BLBBSNZFFCPNBY-UHFFFAOYSA-N 1 0 320.433 2.252 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000846885633 651359368 /nfs/dbraw/zinc/35/93/68/651359368.db2.gz NQBYGRYCLPVYTI-UHFFFAOYSA-N 1 0 315.421 2.277 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000846959411 651364860 /nfs/dbraw/zinc/36/48/60/651364860.db2.gz IEQXPXCPTPPAQC-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO C/C(=C\c1ccccn1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394067 651455676 /nfs/dbraw/zinc/45/56/76/651455676.db2.gz MODNXKMAJMKJLM-SZEUEKNRSA-N 1 0 324.428 2.367 20 10 DECDRO C/C(=C/c1ccncc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394047 651455738 /nfs/dbraw/zinc/45/57/38/651455738.db2.gz MHLUTPMPBNCTFY-RXXLQFRUSA-N 1 0 324.428 2.367 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c(O)c1C ZINC000848564389 651471546 /nfs/dbraw/zinc/47/15/46/651471546.db2.gz MNBPBCHDBYFMQX-STQMWFEESA-N 1 0 300.406 2.346 20 10 DECDRO C[NH+]1CCC2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)CC1 ZINC000854498556 651489787 /nfs/dbraw/zinc/48/97/87/651489787.db2.gz SKJZEZFNOYAJHF-HYXAFXHYSA-N 1 0 316.401 2.055 20 10 DECDRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000854722746 651543202 /nfs/dbraw/zinc/54/32/02/651543202.db2.gz JCKLUBFEIZUXAZ-UHFFFAOYSA-N 1 0 312.417 2.123 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1O ZINC000848891645 651548248 /nfs/dbraw/zinc/54/82/48/651548248.db2.gz WNZQUYPZZHVFRT-KRWDZBQOSA-N 1 0 306.450 2.401 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000848908130 651554737 /nfs/dbraw/zinc/55/47/37/651554737.db2.gz XBZSKPAHOUQINJ-HNNXBMFYSA-N 1 0 311.447 2.354 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000848913686 651558748 /nfs/dbraw/zinc/55/87/48/651558748.db2.gz BMUJILZIERMHMI-BRWVUGGUSA-N 1 0 305.418 2.316 20 10 DECDRO COc1cc(Br)cc(CN(C)CC(C)(C)[NH3+])c1O ZINC000849350323 651655749 /nfs/dbraw/zinc/65/57/49/651655749.db2.gz NRUWFIWGXQLABP-UHFFFAOYSA-N 1 0 317.227 2.332 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCc2nnc3ccccn32)cc1F ZINC000113315065 651689766 /nfs/dbraw/zinc/68/97/66/651689766.db2.gz NAXGEEWMZQYEGY-UHFFFAOYSA-N 1 0 313.380 2.267 20 10 DECDRO COc1cc(C[NH2+]CCCNC(C)=O)c(O)c(C(C)(C)C)c1 ZINC000850020811 651805743 /nfs/dbraw/zinc/80/57/43/651805743.db2.gz ZYXZBOXNLXHDHZ-UHFFFAOYSA-N 1 0 308.422 2.314 20 10 DECDRO COC1CC(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850343270 651904220 /nfs/dbraw/zinc/90/42/20/651904220.db2.gz MEFGPGPIWJEWLP-UHFFFAOYSA-N 1 0 304.434 2.428 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)n[nH]c3C)C2)cc1 ZINC000850345908 651904675 /nfs/dbraw/zinc/90/46/75/651904675.db2.gz NKRVSTDJUIDPML-CQSZACIVSA-N 1 0 300.406 2.404 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)ccc1OC ZINC000850344820 651904914 /nfs/dbraw/zinc/90/49/14/651904914.db2.gz XNXHOKTWXQMQMJ-QAPCUYQASA-N 1 0 323.433 2.373 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(CO)o3)C2)cc1 ZINC000850346248 651905137 /nfs/dbraw/zinc/90/51/37/651905137.db2.gz DDEUWFNLQNJWMZ-CYBMUJFWSA-N 1 0 302.374 2.149 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347492 651905811 /nfs/dbraw/zinc/90/58/11/651905811.db2.gz SMWIVFVCDKZGQJ-DLTLXFJOSA-N 1 0 318.417 2.061 20 10 DECDRO Cc1cc(O)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1C ZINC000850396977 651920465 /nfs/dbraw/zinc/92/04/65/651920465.db2.gz RQJHVGLAIBXXJE-KRWDZBQOSA-N 1 0 304.434 2.352 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC000850400973 651921577 /nfs/dbraw/zinc/92/15/77/651921577.db2.gz RLNNOVPYIYQRFS-GOSISDBHSA-N 1 0 323.433 2.448 20 10 DECDRO COC(=O)CC1CC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000850487440 651938097 /nfs/dbraw/zinc/93/80/97/651938097.db2.gz NBPLOGSFCOFKCC-SLTAFYQDSA-N 1 0 318.417 2.205 20 10 DECDRO CSC[C@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858144002 652264863 /nfs/dbraw/zinc/26/48/63/652264863.db2.gz DJSLEJJYRDBMEH-NSHDSACASA-N 1 0 304.406 2.234 20 10 DECDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858230117 652284425 /nfs/dbraw/zinc/28/44/25/652284425.db2.gz OYQYCKSGAZHAKP-KBXCAEBGSA-N 1 0 320.408 2.319 20 10 DECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000858326888 652307871 /nfs/dbraw/zinc/30/78/71/652307871.db2.gz HYWMJZOEBNBABF-CABCVRRESA-N 1 0 302.378 2.064 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000858326847 652307905 /nfs/dbraw/zinc/30/79/05/652307905.db2.gz GYQWBAKAZFBOBQ-WCQYABFASA-N 1 0 309.753 2.357 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCN(C)CC(F)F)cc1F ZINC000858338280 652311578 /nfs/dbraw/zinc/31/15/78/652311578.db2.gz VLWLVAXQTMHIMF-UHFFFAOYSA-N 1 0 307.335 2.317 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1F ZINC000858341826 652312839 /nfs/dbraw/zinc/31/28/39/652312839.db2.gz GHMWSDUFNXCSRE-OAHLLOKOSA-N 1 0 305.397 2.135 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000852628367 652429842 /nfs/dbraw/zinc/42/98/42/652429842.db2.gz FMKQKMFNSXNSJU-CYBMUJFWSA-N 1 0 311.813 2.329 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852631953 652430746 /nfs/dbraw/zinc/43/07/46/652430746.db2.gz NALGBYVUTQRHSJ-INIZCTEOSA-N 1 0 318.465 2.378 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000852776660 652454977 /nfs/dbraw/zinc/45/49/77/652454977.db2.gz YESVFLYIKBOVCA-KRWDZBQOSA-N 1 0 321.465 2.244 20 10 DECDRO COc1ccccc1[C@H](O)C[NH2+]Cc1c(O)cccc1OC ZINC000853092746 652500352 /nfs/dbraw/zinc/50/03/52/652500352.db2.gz LDMPAHSZQRVAKX-OAHLLOKOSA-N 1 0 303.358 2.233 20 10 DECDRO C[C@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000853412374 652545746 /nfs/dbraw/zinc/54/57/46/652545746.db2.gz ZOBFRPFIKCVSTR-OAHLLOKOSA-N 1 0 318.465 2.426 20 10 DECDRO CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218180 652659400 /nfs/dbraw/zinc/65/94/00/652659400.db2.gz TTYZWKSDIAHCJK-JLSDUUJJSA-N 1 0 303.450 2.394 20 10 DECDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000393649274 685453623 /nfs/dbraw/zinc/45/36/23/685453623.db2.gz MUGJTBIDANQEJW-UHFFFAOYSA-N 1 0 306.450 2.410 20 10 DECDRO C[N@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1O ZINC000117340672 684068480 /nfs/dbraw/zinc/06/84/80/684068480.db2.gz UOFDEJCPULEKTA-UHFFFAOYSA-N 1 0 309.369 2.234 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000129943687 684183905 /nfs/dbraw/zinc/18/39/05/684183905.db2.gz CTOISMHYTLDABY-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304049626 685245072 /nfs/dbraw/zinc/24/50/72/685245072.db2.gz KMOXDVPJPUVARZ-KRWDZBQOSA-N 1 0 310.413 2.159 20 10 DECDRO Cc1cc(C[NH+]2CCC(N3CCOCC3)CC2)ccc1N(C)C ZINC000859354391 685711967 /nfs/dbraw/zinc/71/19/67/685711967.db2.gz ZLTKVHOTTJUHDV-UHFFFAOYSA-N 1 0 317.477 2.358 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861686220 686169646 /nfs/dbraw/zinc/16/96/46/686169646.db2.gz WEQMWZXMVXILOW-GOEBONIOSA-N 1 0 318.465 2.425 20 10 DECDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862373339 686285046 /nfs/dbraw/zinc/28/50/46/686285046.db2.gz UWSYIZOWWDTHFF-LBPRGKRZSA-N 1 0 300.196 2.500 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1F ZINC000862407518 686294663 /nfs/dbraw/zinc/29/46/63/686294663.db2.gz HEIQGFLRSAXWKU-GFCCVEGCSA-N 1 0 321.375 2.144 20 10 DECDRO CCN(CC[NH3+])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863644381 686539516 /nfs/dbraw/zinc/53/95/16/686539516.db2.gz UFVRDRVUWWBARG-UHFFFAOYSA-N 1 0 306.410 2.366 20 10 DECDRO CC(=O)NCC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000865440301 687212307 /nfs/dbraw/zinc/21/23/07/687212307.db2.gz HIWNYUIHUYUUMA-UHFFFAOYSA-N 1 0 302.418 2.406 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000866206905 687491284 /nfs/dbraw/zinc/49/12/84/687491284.db2.gz GHKDLNCEBOWWLM-NWDGAFQWSA-N 1 0 321.377 2.142 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1O ZINC000868282463 687968602 /nfs/dbraw/zinc/96/86/02/687968602.db2.gz BWBCQFXCAJHUSI-JSGCOSHPSA-N 1 0 303.406 2.237 20 10 DECDRO C[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868698936 688108636 /nfs/dbraw/zinc/10/86/36/688108636.db2.gz ZRFBQIQUVNKFFK-KGLIPLIRSA-N 1 0 305.422 2.484 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000872150618 688938140 /nfs/dbraw/zinc/93/81/40/688938140.db2.gz XXRIFWOFAJBANE-BLLLJJGKSA-N 1 0 308.809 2.290 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000872792725 689094602 /nfs/dbraw/zinc/09/46/02/689094602.db2.gz ZLEDIJZMWWBCPI-UHFFFAOYSA-N 1 0 318.417 2.161 20 10 DECDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)OC ZINC000873126709 689164630 /nfs/dbraw/zinc/16/46/30/689164630.db2.gz CAJDFJPRSRDSAT-MRXNPFEDSA-N 1 0 303.406 2.455 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H](C)O ZINC000873130852 689165705 /nfs/dbraw/zinc/16/57/05/689165705.db2.gz HOXOIRZDCXZQBB-CJNGLKHVSA-N 1 0 303.406 2.189 20 10 DECDRO CC[C@H]1COCCN1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000873189084 689179157 /nfs/dbraw/zinc/17/91/57/689179157.db2.gz NTGAIPJYMDVFPP-QWNKOJSDSA-N 1 0 317.477 2.466 20 10 DECDRO CCOc1ccc(O)c(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227136 689188475 /nfs/dbraw/zinc/18/84/75/689188475.db2.gz HJEZFTZFWFHDMF-WCQYABFASA-N 1 0 318.339 2.360 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C[N@@H+]1C1CC1 ZINC000875359246 689612794 /nfs/dbraw/zinc/61/27/94/689612794.db2.gz NNKHLADVILANOJ-WCQYABFASA-N 1 0 301.390 2.043 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc(C)ccc1O ZINC000875372380 689615163 /nfs/dbraw/zinc/61/51/63/689615163.db2.gz MKIHPCNBRPBAEN-HNNXBMFYSA-N 1 0 305.422 2.374 20 10 DECDRO CN(Cc1ccccc1O)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876606018 689873409 /nfs/dbraw/zinc/87/34/09/689873409.db2.gz RPENYMQHUYVYQJ-UHFFFAOYSA-N 1 0 310.397 2.239 20 10 DECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCCSc1nccs1 ZINC000876661066 689893494 /nfs/dbraw/zinc/89/34/94/689893494.db2.gz ASPUUAVENHOTLU-ITKZLYELSA-N 1 0 311.476 2.297 20 10 DECDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728767 689918530 /nfs/dbraw/zinc/91/85/30/689918530.db2.gz VBQYUBXBKAKHHU-FFSHQSOISA-N 1 0 313.445 2.315 20 10 DECDRO Cc1ccc(CN2CCNC(=O)[C@H]2c2cccs2)c(O)c1 ZINC000876765364 689930328 /nfs/dbraw/zinc/93/03/28/689930328.db2.gz UIBWQRPDZSFVKH-OAHLLOKOSA-N 1 0 302.399 2.435 20 10 DECDRO COCCOc1ncccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876934385 689976189 /nfs/dbraw/zinc/97/61/89/689976189.db2.gz GGYXDUOBISSMPD-UHFFFAOYSA-N 1 0 302.374 2.411 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000876985455 689990455 /nfs/dbraw/zinc/99/04/55/689990455.db2.gz DOJYLYQAPWPKMY-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 ZINC000876986669 689991309 /nfs/dbraw/zinc/99/13/09/689991309.db2.gz IFXPCLQUVBVDJB-SJLPKXTDSA-N 1 0 304.434 2.210 20 10 DECDRO CC(C)N(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876996336 689993346 /nfs/dbraw/zinc/99/33/46/689993346.db2.gz SXENAGDBUQBDQO-UHFFFAOYSA-N 1 0 305.466 2.078 20 10 DECDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877044222 690006133 /nfs/dbraw/zinc/00/61/33/690006133.db2.gz UBQLUBGTIJGWGN-GOSISDBHSA-N 1 0 306.450 2.144 20 10 DECDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877058144 690009493 /nfs/dbraw/zinc/00/94/93/690009493.db2.gz DLFQSIZTSXNJOE-HUUCEWRRSA-N 1 0 306.450 2.144 20 10 DECDRO CO[C@@H](C[NH2+]CCCSc1nccs1)[C@@H]1CCOC1 ZINC000877061949 690010959 /nfs/dbraw/zinc/01/09/59/690010959.db2.gz WDNOGNPYTDZLND-NEPJUHHUSA-N 1 0 302.465 2.266 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c(O)c1 ZINC000877140601 690027671 /nfs/dbraw/zinc/02/76/71/690027671.db2.gz HHXDYUSQTKXMKN-OAHLLOKOSA-N 1 0 316.376 2.274 20 10 DECDRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000877256858 690058585 /nfs/dbraw/zinc/05/85/85/690058585.db2.gz GIRBQWKGQYMLGV-BLLLJJGKSA-N 1 0 314.385 2.148 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(O)c1 ZINC000877436040 690112418 /nfs/dbraw/zinc/11/24/18/690112418.db2.gz NXQLWJZMVWWRFT-GFCCVEGCSA-N 1 0 316.323 2.201 20 10 DECDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877462989 690120723 /nfs/dbraw/zinc/12/07/23/690120723.db2.gz XXGXPVJTGWNSCQ-UHFFFAOYSA-N 1 0 317.477 2.222 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCCOC(F)F)cc2)CC1 ZINC000877503410 690133295 /nfs/dbraw/zinc/13/32/95/690133295.db2.gz LJIUCQSXSGASGY-UHFFFAOYSA-N 1 0 314.376 2.367 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)[nH]c1C ZINC000877525438 690141009 /nfs/dbraw/zinc/14/10/09/690141009.db2.gz CWMHDIFUFAKUNL-UHFFFAOYSA-N 1 0 304.346 2.114 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3c(C)cccc3O)CC2)nc1 ZINC000877577630 690156596 /nfs/dbraw/zinc/15/65/96/690156596.db2.gz ZQDZPUIVWOTWCC-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000877576720 690156796 /nfs/dbraw/zinc/15/67/96/690156796.db2.gz OTLKSWUYIJZKDY-BBRMVZONSA-N 1 0 301.390 2.444 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c(O)c1 ZINC000877576295 690156982 /nfs/dbraw/zinc/15/69/82/690156982.db2.gz ITJRBITZXVPPKH-HOCLYGCPSA-N 1 0 301.390 2.444 20 10 DECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877585848 690159010 /nfs/dbraw/zinc/15/90/10/690159010.db2.gz OQYYKNLACOXGAU-MSOLQXFVSA-N 1 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/nfs/dbraw/zinc/24/43/26/690244326.db2.gz HDVLYTSSFPBEHR-GFCCVEGCSA-N 1 0 307.390 2.422 20 10 DECDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877835544 690246216 /nfs/dbraw/zinc/24/62/16/690246216.db2.gz SIVWIRGKHDWDRI-INIZCTEOSA-N 1 0 304.434 2.116 20 10 DECDRO CC(C)[C@H](O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923785 690261322 /nfs/dbraw/zinc/26/13/22/690261322.db2.gz WMSCKJHDCDJPJV-GOSISDBHSA-N 1 0 306.450 2.362 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1O ZINC000880129751 690809317 /nfs/dbraw/zinc/80/93/17/690809317.db2.gz AIEZMPPJDNQSQT-HZPDHXFCSA-N 1 0 306.381 2.402 20 10 DECDRO CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059741 691006241 /nfs/dbraw/zinc/00/62/41/691006241.db2.gz HQJUGMFMVNOXFK-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO CC(=O)c1cc(Cl)cc(Cn2cc(CCCC[NH3+])nn2)c1O ZINC000880998932 691010984 /nfs/dbraw/zinc/01/09/84/691010984.db2.gz DMIFCCHTHDQBPG-UHFFFAOYSA-N 1 0 322.796 2.169 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883275206 691470337 /nfs/dbraw/zinc/47/03/37/691470337.db2.gz JVPDBSUNIORHNV-JSGCOSHPSA-N 1 0 305.374 2.496 20 10 DECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883353676 691487139 /nfs/dbraw/zinc/48/71/39/691487139.db2.gz AGDISCVECQDHET-HOCLYGCPSA-N 1 0 321.440 2.407 20 10 DECDRO C[NH2+]CCOc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000884091765 691652236 /nfs/dbraw/zinc/65/22/36/691652236.db2.gz JCCRUCRTXNRNAA-UHFFFAOYSA-N 1 0 314.385 2.263 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000886267739 692040535 /nfs/dbraw/zinc/04/05/35/692040535.db2.gz UGVOFNWCWUCWEC-QAPCUYQASA-N 1 0 304.434 2.490 20 10 DECDRO O=C1NCCN1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000886324356 692056064 /nfs/dbraw/zinc/05/60/64/692056064.db2.gz LUROSJPSBASRIT-UHFFFAOYSA-N 1 0 311.385 2.174 20 10 DECDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000886595083 692123885 /nfs/dbraw/zinc/12/38/85/692123885.db2.gz AJUHGCAMSYPJRP-ZQMJAJRESA-N 1 0 318.417 2.300 20 10 DECDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H]1CCCOC1 ZINC000886788574 692190501 /nfs/dbraw/zinc/19/05/01/692190501.db2.gz DQNRLCGJYDSKRJ-YDHLFZDLSA-N 1 0 309.406 2.493 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)c1OC ZINC000894568847 692986334 /nfs/dbraw/zinc/98/63/34/692986334.db2.gz ODQXUTVZSZGYOI-ZDUSSCGKSA-N 1 0 303.362 2.053 20 10 DECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759583 693182099 /nfs/dbraw/zinc/18/20/99/693182099.db2.gz KJUAPUSWGCTHRG-PBHICJAKSA-N 1 0 322.424 2.301 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925840250 693351116 /nfs/dbraw/zinc/35/11/16/693351116.db2.gz HJJCJAFWVCFQPJ-XHBKTUGNSA-N 1 0 318.417 2.362 20 10 DECDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926723875 693500235 /nfs/dbraw/zinc/50/02/35/693500235.db2.gz GMJWUBFCFVPVIR-QWHZDKJVSA-N 1 0 318.461 2.408 20 10 DECDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)CC2)cc(OC)n1 ZINC001052526456 693558402 /nfs/dbraw/zinc/55/84/02/693558402.db2.gz CSRWUEAZEYHWRP-AWEZNQCLSA-N 1 0 321.421 2.092 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2O ZINC000927148552 693561030 /nfs/dbraw/zinc/56/10/30/693561030.db2.gz WRALAUKPOCTOIM-GIPNMCIBSA-N 1 0 316.380 2.355 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(N(C)C)cc1 ZINC000927152858 693562109 /nfs/dbraw/zinc/56/21/09/693562109.db2.gz VZPHHFMOTYZZRX-HOCLYGCPSA-N 1 0 313.449 2.479 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)CCOC(C)C)C2)cc1 ZINC001335414464 1150410559 /nfs/dbraw/zinc/41/05/59/1150410559.db2.gz XCTHZMOCMIZXOE-NVXWUHKLSA-N 1 0 322.449 2.040 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@H]1C ZINC001335724076 1150510979 /nfs/dbraw/zinc/51/09/79/1150510979.db2.gz FUBWBHOVBSYEHD-CJNGLKHVSA-N 1 0 304.438 2.283 20 10 DECDRO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C1CCCC1 ZINC001349384593 1151245545 /nfs/dbraw/zinc/24/55/45/1151245545.db2.gz SQCMIQHMCUSHDK-GFCCVEGCSA-N 1 0 304.390 2.187 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1OC ZINC001351960064 1151639345 /nfs/dbraw/zinc/63/93/45/1151639345.db2.gz BSWTXAIPPFLUBE-TZMCWYRMSA-N 1 0 307.390 2.410 20 10 DECDRO CCC1(N2CCOCC2)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356083533 1152056607 /nfs/dbraw/zinc/05/66/07/1152056607.db2.gz RJUDOERZOVTGTF-UHFFFAOYSA-N 1 0 303.450 2.346 20 10 DECDRO CC1(C)CC(NC(=O)Cc2ccc(O)c(O)c2)CC(C)(C)[NH2+]1 ZINC001440869413 1181736768 /nfs/dbraw/zinc/73/67/68/1181736768.db2.gz VQJXHNPXWAWKIF-UHFFFAOYSA-N 1 0 306.406 2.066 20 10 DECDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001443100537 1182847793 /nfs/dbraw/zinc/84/77/93/1182847793.db2.gz OWEUTCOOFNZTOX-UHFFFAOYSA-N 1 0 314.385 2.383 20 10 DECDRO CC[C@@H](SC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125744859 777614950 /nfs/dbraw/zinc/61/49/50/777614950.db2.gz HOWUEDRBPNIVJI-OAHLLOKOSA-N 1 0 310.463 2.351 20 10 DECDRO COc1cccc2c1CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515543 790941928 /nfs/dbraw/zinc/94/19/28/790941928.db2.gz BGTICLPVKSQNPD-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)c1 ZINC001144515951 790943921 /nfs/dbraw/zinc/94/39/21/790943921.db2.gz KHOSLPMIHDCHLZ-CQSZACIVSA-N 1 0 315.369 2.247 20 10 DECDRO [NH3+]Cc1ccc2c(n1)N(c1cnc3c(c1)C1(CC1)C(=O)N3)CCC2 ZINC001169591354 785251525 /nfs/dbraw/zinc/25/15/25/785251525.db2.gz HRYWILLXXZQETC-UHFFFAOYSA-N 1 0 321.384 2.003 20 10 DECDRO OCC1(CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691490209 786083862 /nfs/dbraw/zinc/08/38/62/786083862.db2.gz UKSBOXXKCBFYJC-UHFFFAOYSA-N 1 0 300.196 2.407 20 10 DECDRO COCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133414426 788406450 /nfs/dbraw/zinc/40/64/50/788406450.db2.gz KVDJWNMNHXCVHW-UONOGXRCSA-N 1 0 308.422 2.023 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]CC1OCCCO1 ZINC000716343629 792953788 /nfs/dbraw/zinc/95/37/88/792953788.db2.gz XWVCLXGSMOFKPS-UHFFFAOYSA-N 1 0 302.168 2.007 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(C)=O)C3)cc1C ZINC001094829388 793142179 /nfs/dbraw/zinc/14/21/79/793142179.db2.gz UXCYABSHAMBFEZ-ULQDDVLXSA-N 1 0 302.418 2.493 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173473 793477792 /nfs/dbraw/zinc/47/77/92/793477792.db2.gz HMIVRQOYTCOZQI-KGLIPLIRSA-N 1 0 320.364 2.068 20 10 DECDRO COC(=O)CCCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001173439120 793722038 /nfs/dbraw/zinc/72/20/38/793722038.db2.gz FCRCEQHIGSQRPB-LLVKDONJSA-N 1 0 311.378 2.057 20 10 DECDRO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c(O)c1O ZINC001116512139 794962231 /nfs/dbraw/zinc/96/22/31/794962231.db2.gz IHWGCJUAZMTSOJ-CYBMUJFWSA-N 1 0 306.406 2.401 20 10 DECDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117137718 795027729 /nfs/dbraw/zinc/02/77/29/795027729.db2.gz MPVMLAIDJBXFDS-XJKSGUPXSA-N 1 0 323.481 2.419 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001179603026 795142139 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Cc1cc(C(=O)N2CC[C@H](CC[NH3+])C2)c(C)n1-c1ccccn1 ZINC001122212470 795736383 /nfs/dbraw/zinc/73/63/83/795736383.db2.gz RHYFUYGXAMZEDL-HNNXBMFYSA-N 1 0 312.417 2.300 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c(Cl)c1 ZINC001183618410 795907633 /nfs/dbraw/zinc/90/76/33/795907633.db2.gz HHZKLLDSYGKLSM-CQSZACIVSA-N 1 0 314.788 2.389 20 10 DECDRO CN1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337923 796198848 /nfs/dbraw/zinc/19/88/48/796198848.db2.gz GRLWAGZRQKBGCZ-UHFFFAOYSA-N 1 0 315.461 2.229 20 10 DECDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1O ZINC001138338378 796199318 /nfs/dbraw/zinc/19/93/18/796199318.db2.gz QCBFRZZPJWGVAJ-SUMWQHHRSA-N 1 0 316.445 2.294 20 10 DECDRO CC(C)(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499108 796226829 /nfs/dbraw/zinc/22/68/29/796226829.db2.gz XIYNWBCSJGUPBW-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC001138498772 796227102 /nfs/dbraw/zinc/22/71/02/796227102.db2.gz DZXOFLFOSOHDID-HKUYNNGSSA-N 1 0 315.461 2.049 20 10 DECDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC001138500281 796228975 /nfs/dbraw/zinc/22/89/75/796228975.db2.gz WBKJXZDQOBQYPH-IEBWSBKVSA-N 1 0 315.461 2.049 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](OC(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258914 796349762 /nfs/dbraw/zinc/34/97/62/796349762.db2.gz AMFLWIZWJVFHKA-INIZCTEOSA-N 1 0 322.449 2.462 20 10 DECDRO COc1ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c(O)c1 ZINC001203634806 796374532 /nfs/dbraw/zinc/37/45/32/796374532.db2.gz WHGAQOIWMVAGJS-UHFFFAOYSA-N 1 0 320.389 2.208 20 10 DECDRO Cc1cc(C[NH+]2CCN(c3ccncn3)CC2)ccc1N(C)C ZINC001139673463 796408284 /nfs/dbraw/zinc/40/82/84/796408284.db2.gz HSTZLWGQBALVQB-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO Cc1cc(C[NH+]2CCC3(CCC(=O)N3)CC2)ccc1N(C)C ZINC001139673967 796408317 /nfs/dbraw/zinc/40/83/17/796408317.db2.gz JYGZCEUMUCOLSR-UHFFFAOYSA-N 1 0 301.434 2.306 20 10 DECDRO CCC1(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)COC1 ZINC001202966256 796419699 /nfs/dbraw/zinc/41/96/99/796419699.db2.gz VAKHWZXVGNIPBJ-UHFFFAOYSA-N 1 0 320.433 2.252 20 10 DECDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)nc1 ZINC001140056131 796470648 /nfs/dbraw/zinc/47/06/48/796470648.db2.gz IZXUPUCIZRVRRY-AWEZNQCLSA-N 1 0 303.337 2.283 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC001140059200 796471743 /nfs/dbraw/zinc/47/17/43/796471743.db2.gz YLEMKBIPNLVMMS-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Br ZINC001140101914 796477391 /nfs/dbraw/zinc/47/73/91/796477391.db2.gz DIBGMEOJCLGIRJ-QWRGUYRKSA-N 1 0 311.223 2.433 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140180147 796487219 /nfs/dbraw/zinc/48/72/19/796487219.db2.gz TUJMFJKRFNJNSQ-CQSZACIVSA-N 1 0 319.401 2.353 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1O ZINC001140283215 796501751 /nfs/dbraw/zinc/50/17/51/796501751.db2.gz PDCJMTMEXQRBBM-DNVCBOLYSA-N 1 0 318.461 2.241 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140342661 796511119 /nfs/dbraw/zinc/51/11/19/796511119.db2.gz SRNNJYWZGCLRNK-NSHDSACASA-N 1 0 305.765 2.489 20 10 DECDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585486 796541807 /nfs/dbraw/zinc/54/18/07/796541807.db2.gz KHNPRSXXZGVPCS-LBPRGKRZSA-N 1 0 321.327 2.422 20 10 DECDRO Cc1ccc(O)c(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC001140621594 796546407 /nfs/dbraw/zinc/54/64/07/796546407.db2.gz LYNGAYDAVAOVTO-HZPDHXFCSA-N 1 0 310.401 2.059 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c1 ZINC001140624456 796546538 /nfs/dbraw/zinc/54/65/38/796546538.db2.gz XOQGNCULYUYOBM-UHFFFAOYSA-N 1 0 317.433 2.470 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@]1(C)O ZINC001140660597 796552381 /nfs/dbraw/zinc/55/23/81/796552381.db2.gz XNEKBFFHPCMPTM-KBXCAEBGSA-N 1 0 322.424 2.255 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@H]1O ZINC001140660138 796552523 /nfs/dbraw/zinc/55/25/23/796552523.db2.gz 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O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277376 800199026 /nfs/dbraw/zinc/19/90/26/800199026.db2.gz BSVQAOINERJWOF-HNNXBMFYSA-N 1 0 324.380 2.328 20 10 DECDRO Oc1ccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001204276904 800199128 /nfs/dbraw/zinc/19/91/28/800199128.db2.gz SYTMGTLHYIBVRT-ZDUSSCGKSA-N 1 0 305.296 2.377 20 10 DECDRO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204279222 800200869 /nfs/dbraw/zinc/20/08/69/800200869.db2.gz SWNXBEZXCDQFSX-UHFFFAOYSA-N 1 0 322.405 2.444 20 10 DECDRO COc1cc(C[NH+]2CCC3(CCCOC3)CC2)cc(O)c1O ZINC001204348231 800206899 /nfs/dbraw/zinc/20/68/99/800206899.db2.gz AEAGSTQLQLEXER-UHFFFAOYSA-N 1 0 307.390 2.499 20 10 DECDRO Cc1cc(CN2C[C@@H]([NH3+])C3(CC3)C2)c(O)cc1Br ZINC001204912627 800273269 /nfs/dbraw/zinc/27/32/69/800273269.db2.gz XYQVHYVCGHMJMP-CYBMUJFWSA-N 1 0 311.223 2.386 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC001205639822 800391797 /nfs/dbraw/zinc/39/17/97/800391797.db2.gz 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COc1cc(O)c(C[N@H+]2CCc3nccn3CC2)cc1Cl ZINC001232268563 801833357 /nfs/dbraw/zinc/83/33/57/801833357.db2.gz PGNRQARJZAXVMG-UHFFFAOYSA-N 1 0 307.781 2.309 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccco3)CC2)c(O)c1 ZINC001232838939 801969853 /nfs/dbraw/zinc/96/98/53/801969853.db2.gz KQKKXTODINOUCS-UHFFFAOYSA-N 1 0 315.417 2.369 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232837004 801970069 /nfs/dbraw/zinc/97/00/69/801970069.db2.gz YWFMANLKIBJYKA-TZMCWYRMSA-N 1 0 306.406 2.232 20 10 DECDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841822 801970996 /nfs/dbraw/zinc/97/09/96/801970996.db2.gz SZRNJWHIWFPCKM-UHFFFAOYSA-N 1 0 319.449 2.291 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001232841029 801971074 /nfs/dbraw/zinc/97/10/74/801971074.db2.gz PZIUNOJQMOMSHO-KRWDZBQOSA-N 1 0 304.390 2.130 20 10 DECDRO Oc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(O)c1O ZINC001233012675 802002236 /nfs/dbraw/zinc/00/22/36/802002236.db2.gz IDQUWQBWRHJKPZ-UHFFFAOYSA-N 1 0 314.385 2.121 20 10 DECDRO C[NH2+][C@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C1 ZINC001217952792 802122522 /nfs/dbraw/zinc/12/25/22/802122522.db2.gz GKUPIKUGSUNAKM-XYPYZODXSA-N 1 0 323.348 2.297 20 10 DECDRO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233487064 802126729 /nfs/dbraw/zinc/12/67/29/802126729.db2.gz NXRNYPRSDDDDGH-UHFFFAOYSA-N 1 0 316.401 2.367 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccccn3)CC2)cc1O ZINC001233484895 802127351 /nfs/dbraw/zinc/12/73/51/802127351.db2.gz BKKCULIRAFKVHW-UHFFFAOYSA-N 1 0 316.357 2.242 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cccc21 ZINC001218327920 802169028 /nfs/dbraw/zinc/16/90/28/802169028.db2.gz VCVJEMNZZVSJNL-XNJJOIOASA-N 1 0 319.360 2.449 20 10 DECDRO CN1CC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761389 802199696 /nfs/dbraw/zinc/19/96/96/802199696.db2.gz USDYEVFWURSWCK-NSHDSACASA-N 1 0 304.312 2.427 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCCCC[NH3+])c1 ZINC001221346567 802558741 /nfs/dbraw/zinc/55/87/41/802558741.db2.gz MREZOOQQWNFBAE-UHFFFAOYSA-N 1 0 301.390 2.268 20 10 DECDRO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001334373263 1150286137 /nfs/dbraw/zinc/28/61/37/1150286137.db2.gz CFNWMTHSZVLGMO-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO C[C@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001334793340 1150342582 /nfs/dbraw/zinc/34/25/82/1150342582.db2.gz HDFPNGJFLJRNLF-AWEZNQCLSA-N 1 0 319.449 2.041 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@H]2C1 ZINC001335226588 1150387102 /nfs/dbraw/zinc/38/71/02/1150387102.db2.gz JABYHVBZZSDVCM-QJPTWQEYSA-N 1 0 322.380 2.039 20 10 DECDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(O)c1O ZINC001335368324 1150399945 /nfs/dbraw/zinc/39/99/45/1150399945.db2.gz AZFGODWUWUCTIY-BFHYXJOUSA-N 1 0 318.417 2.209 20 10 DECDRO C[C@H](NC(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001335511745 1150440071 /nfs/dbraw/zinc/44/00/71/1150440071.db2.gz ZBSFDSWEEVNXQZ-WFASDCNBSA-N 1 0 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/nfs/dbraw/zinc/50/42/29/1143504229.db2.gz UWCPEHOHVSYWPV-GDBMZVCRSA-N 1 0 303.450 2.347 20 10 DECDRO Cc1cc(C(=O)NCC2([NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC001341414489 1143599104 /nfs/dbraw/zinc/59/91/04/1143599104.db2.gz FXNQYMJCFRMTPZ-UHFFFAOYSA-N 1 0 301.365 2.454 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C12CCC[NH+]1CCC2 ZINC001262338773 1144307051 /nfs/dbraw/zinc/30/70/51/1144307051.db2.gz ZZEYMKCIWRBECG-UHFFFAOYSA-N 1 0 309.406 2.123 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+]CCCF)C2)cc1 ZINC001265461686 1144705420 /nfs/dbraw/zinc/70/54/20/1144705420.db2.gz WNOTYQUELLVNCH-ZDUSSCGKSA-N 1 0 321.356 2.013 20 10 DECDRO c1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc2c1OCC2 ZINC001308235580 1147456204 /nfs/dbraw/zinc/45/62/04/1147456204.db2.gz DHSRJLLHZRRHCI-UHFFFAOYSA-N 1 0 310.401 2.302 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])C2CCCCC2)cc1F ZINC001326371406 1148087226 /nfs/dbraw/zinc/08/72/26/1148087226.db2.gz RDAYOHIKHDSBBP-MRXNPFEDSA-N 1 0 307.413 2.416 20 10 DECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326375211 1148087911 /nfs/dbraw/zinc/08/79/11/1148087911.db2.gz GJQXFHUEKNTWBG-RHSMWYFYSA-N 1 0 321.440 2.092 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)[C@H](C)C1 ZINC001353539872 1151837042 /nfs/dbraw/zinc/83/70/42/1151837042.db2.gz PHGBZFQDZKHYDV-CJNGLKHVSA-N 1 0 304.438 2.141 20 10 DECDRO C[NH+]1CCC2(CCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000374055257 530051204 /nfs/dbraw/zinc/05/12/04/530051204.db2.gz ZRSFVVZMWURYNX-UHFFFAOYSA-N 1 0 304.390 2.046 20 10 DECDRO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000076111469 355127631 /nfs/dbraw/zinc/12/76/31/355127631.db2.gz CZUANBKTYVDYEG-GJZGRUSLSA-N 1 0 303.450 2.299 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000092217798 193174476 /nfs/dbraw/zinc/17/44/76/193174476.db2.gz HUECVBYRVPCBLZ-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO Cc1ccc(O)c(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000093320083 193232530 /nfs/dbraw/zinc/23/25/30/193232530.db2.gz OEGURWVTFBPIML-UHFFFAOYSA-N 1 0 307.312 2.074 20 10 DECDRO C[NH+](C)CCN(C(=O)/C=C\c1cncc(O)c1)c1ccccc1 ZINC000492520693 249080974 /nfs/dbraw/zinc/08/09/74/249080974.db2.gz NRYZYJFZRZRHCY-HJWRWDBZSA-N 1 0 311.385 2.395 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCC3)cc2F)CC1 ZINC000106702360 194245101 /nfs/dbraw/zinc/24/51/01/194245101.db2.gz RLTSYDKEXRVZAG-UHFFFAOYSA-N 1 0 319.424 2.384 20 10 DECDRO Cc1cccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000294688301 224169000 /nfs/dbraw/zinc/16/90/00/224169000.db2.gz BPHSNSARLDSSJP-CQSZACIVSA-N 1 0 324.421 2.018 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294790352 224223447 /nfs/dbraw/zinc/22/34/47/224223447.db2.gz LXFWKKJJBNTOOA-CQSZACIVSA-N 1 0 322.405 2.454 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294790348 224223891 /nfs/dbraw/zinc/22/38/91/224223891.db2.gz LXFWKKJJBNTOOA-AWEZNQCLSA-N 1 0 322.405 2.454 20 10 DECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273621558 130145399 /nfs/dbraw/zinc/14/53/99/130145399.db2.gz ZFVLBVMRKVJKHC-GXSJLCMTSA-N 1 0 318.211 2.203 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(O)c1 ZINC000284471843 131083701 /nfs/dbraw/zinc/08/37/01/131083701.db2.gz VVOOGRQUIGISLL-CABCVRRESA-N 1 0 322.449 2.068 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1C ZINC000286924687 131255557 /nfs/dbraw/zinc/25/55/57/131255557.db2.gz FVNLKZURFWSVIA-UONOGXRCSA-N 1 0 311.447 2.484 20 10 DECDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000289376001 131379782 /nfs/dbraw/zinc/37/97/82/131379782.db2.gz BVBAGVVNSDOVFM-CRAIPNDOSA-N 1 0 303.450 2.048 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCCC2)C2CC2)cc1 ZINC000298710894 132074493 /nfs/dbraw/zinc/07/44/93/132074493.db2.gz KRYJGOFOOWHDEK-UHFFFAOYSA-N 1 0 301.434 2.339 20 10 DECDRO COc1cccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000111235299 401703025 /nfs/dbraw/zinc/70/30/25/401703025.db2.gz CISLUIHQAWJDCZ-UHFFFAOYSA-N 1 0 314.385 2.149 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NCc1ccco1 ZINC000113341282 401777063 /nfs/dbraw/zinc/77/70/63/401777063.db2.gz MJCVJXSZBOUJBZ-LBPRGKRZSA-N 1 0 319.380 2.279 20 10 DECDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000131042211 401843457 /nfs/dbraw/zinc/84/34/57/401843457.db2.gz SLXVGCXGNJOBEI-XYZCENFISA-N 1 0 320.252 2.354 20 10 DECDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000134868328 401917279 /nfs/dbraw/zinc/91/72/79/401917279.db2.gz VLMBBXBBSGBJQE-VPTHRUTESA-N 1 0 306.225 2.011 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c1 ZINC000093663188 402018461 /nfs/dbraw/zinc/01/84/61/402018461.db2.gz XBDUKZBXNFDSID-ZDUSSCGKSA-N 1 0 305.447 2.310 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)cc1F ZINC000093899028 402021011 /nfs/dbraw/zinc/02/10/11/402021011.db2.gz DCVNLXCABRJLNX-ZDUSSCGKSA-N 1 0 309.429 2.486 20 10 DECDRO CC[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000124903164 402202900 /nfs/dbraw/zinc/20/29/00/402202900.db2.gz NOFJHLAKJYYMJX-QGZVFWFLSA-N 1 0 319.449 2.074 20 10 DECDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000069173358 402215492 /nfs/dbraw/zinc/21/54/92/402215492.db2.gz PAQKKCLHUZIYBU-UHFFFAOYSA-N 1 0 310.463 2.201 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375933 402348396 /nfs/dbraw/zinc/34/83/96/402348396.db2.gz WZSJOYQJPVCBEL-HZSPNIEDSA-N 1 0 308.422 2.161 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000186375172 402426089 /nfs/dbraw/zinc/42/60/89/402426089.db2.gz GRXJYBILAKSDIV-ZIAGYGMSSA-N 1 0 307.390 2.273 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000186868884 402468732 /nfs/dbraw/zinc/46/87/32/402468732.db2.gz FZVUAKWVIDDYCO-LBPRGKRZSA-N 1 0 315.435 2.266 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000186945448 402472907 /nfs/dbraw/zinc/47/29/07/402472907.db2.gz GLKFSMUBUMXODJ-CYBMUJFWSA-N 1 0 310.463 2.056 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC(C)(C)C)cc2=O ZINC000263820751 402808547 /nfs/dbraw/zinc/80/85/47/402808547.db2.gz XXVBLNZLCBTOFC-UHFFFAOYSA-N 1 0 320.393 2.090 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000175628467 402822478 /nfs/dbraw/zinc/82/24/78/402822478.db2.gz YPYLKBDZGYSCOU-LBPRGKRZSA-N 1 0 323.364 2.319 20 10 DECDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278110363 402856328 /nfs/dbraw/zinc/85/63/28/402856328.db2.gz BGSJFRDIPYTEIO-UHFFFAOYSA-N 1 0 305.378 2.264 20 10 DECDRO COc1c(O)c(CN2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278390088 402863822 /nfs/dbraw/zinc/86/38/22/402863822.db2.gz MRJXVUAQUVAFFA-CYBMUJFWSA-N 1 0 323.393 2.225 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1F ZINC000278560878 402868000 /nfs/dbraw/zinc/86/80/00/402868000.db2.gz FLKULMMSNAVMCB-MRXNPFEDSA-N 1 0 305.397 2.135 20 10 DECDRO Cn1nccc1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278604493 402868493 /nfs/dbraw/zinc/86/84/93/402868493.db2.gz MBJDCJKBWQOFAC-KRWDZBQOSA-N 1 0 315.417 2.349 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000271582313 402881488 /nfs/dbraw/zinc/88/14/88/402881488.db2.gz XBTBMRQICZAPSS-CXAGYDPISA-N 1 0 302.422 2.260 20 10 DECDRO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000271878169 402884970 /nfs/dbraw/zinc/88/49/70/402884970.db2.gz UHVIRGBZMYAKHR-RDJZCZTQSA-N 1 0 315.417 2.380 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000279954731 402965718 /nfs/dbraw/zinc/96/57/18/402965718.db2.gz ZTJVGPXTPNBKSU-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000280334990 402989530 /nfs/dbraw/zinc/98/95/30/402989530.db2.gz RMQVWHWPJHTXCC-GOSISDBHSA-N 1 0 301.434 2.374 20 10 DECDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946051 403052736 /nfs/dbraw/zinc/05/27/36/403052736.db2.gz JFAZWZQNQMHKPB-UKRRQHHQSA-N 1 0 310.413 2.474 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(OC)c(OC)cc1O ZINC000274951282 403098572 /nfs/dbraw/zinc/09/85/72/403098572.db2.gz SKRHPWIVGWYUTC-AAEUAGOBSA-N 1 0 323.389 2.183 20 10 DECDRO C[C@H](C(=O)NCCc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000269152609 403124066 /nfs/dbraw/zinc/12/40/66/403124066.db2.gz VHAUQYAAWNUFRA-OAHLLOKOSA-N 1 0 311.429 2.448 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282644320 403157800 /nfs/dbraw/zinc/15/78/00/403157800.db2.gz KOXFPWPHAYTMRA-CQSZACIVSA-N 1 0 307.413 2.241 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](C3CCC3)CC2)cc1OC ZINC000271095106 403263766 /nfs/dbraw/zinc/26/37/66/403263766.db2.gz MJSATFSGHWCPSG-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292405487 403359633 /nfs/dbraw/zinc/35/96/33/403359633.db2.gz VHKGQPAZOZIFSU-INIZCTEOSA-N 1 0 321.377 2.144 20 10 DECDRO OC[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)O1 ZINC000292602573 403371673 /nfs/dbraw/zinc/37/16/73/403371673.db2.gz HJGQELUTNHGXBK-MSOLQXFVSA-N 1 0 304.434 2.306 20 10 DECDRO COc1c(O)c(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc1[N+](=O)[O-] ZINC000293997071 403619806 /nfs/dbraw/zinc/61/98/06/403619806.db2.gz SOFYBLQIHWCOHF-ZDUSSCGKSA-N 1 0 322.361 2.188 20 10 DECDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1c(F)ccc(O)c1O ZINC000295291335 403836198 /nfs/dbraw/zinc/83/61/98/403836198.db2.gz MWOJXSJKDSAMHW-UHFFFAOYSA-N 1 0 322.380 2.374 20 10 DECDRO COc1cc(O)c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1OC ZINC000296214994 404147685 /nfs/dbraw/zinc/14/76/85/404147685.db2.gz ZZESFQGHKYNSRN-ZDUSSCGKSA-N 1 0 320.433 2.326 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870435 404231965 /nfs/dbraw/zinc/23/19/65/404231965.db2.gz VKXAVYVRBSWONX-OLZOCXBDSA-N 1 0 316.405 2.064 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000355597454 404353279 /nfs/dbraw/zinc/35/32/79/404353279.db2.gz HZVXUJYBAGBBNO-LBPRGKRZSA-N 1 0 302.422 2.236 20 10 DECDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000297239736 404514795 /nfs/dbraw/zinc/51/47/95/404514795.db2.gz ILJXMKOGNFZDRM-CYBMUJFWSA-N 1 0 309.431 2.327 20 10 DECDRO CN(CC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367294590 404999893 /nfs/dbraw/zinc/99/98/93/404999893.db2.gz LODWKBYOVFTEFE-UHFFFAOYSA-N 1 0 309.413 2.166 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1O ZINC000367723614 405135284 /nfs/dbraw/zinc/13/52/84/405135284.db2.gz SZXBAFVYMLCVON-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000372045434 227082159 /nfs/dbraw/zinc/08/21/59/227082159.db2.gz CLGIFZANNKSGIO-GDBMZVCRSA-N 1 0 313.449 2.416 20 10 DECDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000374901696 227141335 /nfs/dbraw/zinc/14/13/35/227141335.db2.gz WXVABGXNLCFOGJ-WBVHZDCISA-N 1 0 319.380 2.353 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418093728 229217966 /nfs/dbraw/zinc/21/79/66/229217966.db2.gz CGWCAKYAMLLEBQ-UKRRQHHQSA-N 1 0 314.433 2.426 20 10 DECDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000273432463 292811958 /nfs/dbraw/zinc/81/19/58/292811958.db2.gz LFVJQXLABKPKHJ-MWLCHTKSSA-N 1 0 318.211 2.467 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001350293474 1151341236 /nfs/dbraw/zinc/34/12/36/1151341236.db2.gz KGTBJUIBCVXFJU-AWEZNQCLSA-N 1 0 315.377 2.159 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000835027722 649868495 /nfs/dbraw/zinc/86/84/95/649868495.db2.gz GCAXEQWWCDXJFA-LKIHTYOGSA-N 1 0 304.434 2.239 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H](O)C3)CC2)cc1 ZINC000372754780 533998947 /nfs/dbraw/zinc/99/89/47/533998947.db2.gz AHMIWXNNFAZLEW-PBHICJAKSA-N 1 0 304.434 2.415 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(OCCO)CC2)cc1 ZINC000835029829 649869225 /nfs/dbraw/zinc/86/92/25/649869225.db2.gz WZOFRLHWUOXTJJ-ONEGZZNKSA-N 1 0 304.434 2.239 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2CCN(CCOC)C2)ccc1OC ZINC000264590675 520188045 /nfs/dbraw/zinc/18/80/45/520188045.db2.gz LPSHBJMQCRHQCK-KRWDZBQOSA-N 1 0 322.449 2.042 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000189861674 520890820 /nfs/dbraw/zinc/89/08/20/520890820.db2.gz DWZKAYJHZIGELL-INIZCTEOSA-N 1 0 305.466 2.031 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000128098319 520893389 /nfs/dbraw/zinc/89/33/89/520893389.db2.gz CHUPUKLGMJIKRE-GOSISDBHSA-N 1 0 305.466 2.295 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1F ZINC000236909962 520896614 /nfs/dbraw/zinc/89/66/14/520896614.db2.gz SDKGYIRNKBVZPH-UHFFFAOYSA-N 1 0 307.413 2.288 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000236942184 521363964 /nfs/dbraw/zinc/36/39/64/521363964.db2.gz YEHMOGFESYQIGT-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237259612 522085738 /nfs/dbraw/zinc/08/57/38/522085738.db2.gz LNOSRMACXOUZKT-OAHLLOKOSA-N 1 0 312.417 2.313 20 10 DECDRO CN(C)c1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000265877162 522291777 /nfs/dbraw/zinc/29/17/77/522291777.db2.gz SAGBXFFFXBVOHO-UHFFFAOYSA-N 1 0 300.358 2.477 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1OC ZINC000182461935 522780494 /nfs/dbraw/zinc/78/04/94/522780494.db2.gz SPFYCCOTZLVQBJ-LBPRGKRZSA-N 1 0 319.405 2.340 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000189278608 525396901 /nfs/dbraw/zinc/39/69/01/525396901.db2.gz BRIUSTXNFHHJRY-LZWOXQAQSA-N 1 0 322.424 2.474 20 10 DECDRO COc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000129480087 525935590 /nfs/dbraw/zinc/93/55/90/525935590.db2.gz AMZMUJWSHDNSCK-UHFFFAOYSA-N 1 0 318.339 2.471 20 10 DECDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180276636 527457485 /nfs/dbraw/zinc/45/74/85/527457485.db2.gz ODLUAIZFHJZUOW-LRDDRELGSA-N 1 0 319.380 2.210 20 10 DECDRO Nc1ccc(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000237895272 527475920 /nfs/dbraw/zinc/47/59/20/527475920.db2.gz NSEOEAUILQIXOL-INIZCTEOSA-N 1 0 301.434 2.146 20 10 DECDRO OCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000124448434 527562429 /nfs/dbraw/zinc/56/24/29/527562429.db2.gz GWUWLGZJRAGIGN-CQSZACIVSA-N 1 0 301.342 2.334 20 10 DECDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000265238895 527609006 /nfs/dbraw/zinc/60/90/06/527609006.db2.gz KZIGDGQFNGHEGH-ZDUSSCGKSA-N 1 0 305.305 2.083 20 10 DECDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000189337392 527892743 /nfs/dbraw/zinc/89/27/43/527892743.db2.gz LRSNXINUKHRGOG-VXGBXAGGSA-N 1 0 300.196 2.404 20 10 DECDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccccc2O)cc1O ZINC000289381301 536530372 /nfs/dbraw/zinc/53/03/72/536530372.db2.gz CLOKKAQQEDJHHU-AWEZNQCLSA-N 1 0 317.385 2.047 20 10 DECDRO C[C@H]1COCCN1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042517 649870689 /nfs/dbraw/zinc/87/06/89/649870689.db2.gz ISDJCIYHXGHYEW-AWFCHZOYSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000835051169 649871731 /nfs/dbraw/zinc/87/17/31/649871731.db2.gz HJTJQCQQXWBZPL-OAZXXZECSA-N 1 0 304.434 2.000 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000835053395 649872565 /nfs/dbraw/zinc/87/25/65/649872565.db2.gz BXIWHAVHHAJRCY-UEKDZROGSA-N 1 0 317.477 2.202 20 10 DECDRO C[C@H](O)C[N@@H+]1CCN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835054849 649873038 /nfs/dbraw/zinc/87/30/38/649873038.db2.gz RTGCRKJJRAAQAU-JEZUCGJFSA-N 1 0 317.477 2.153 20 10 DECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330534153 1149180721 /nfs/dbraw/zinc/18/07/21/1149180721.db2.gz VXHBOAIIJLCEKL-AEFFLSMTSA-N 1 0 304.434 2.428 20 10 DECDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000175767572 622923187 /nfs/dbraw/zinc/92/31/87/622923187.db2.gz FTYHCHVHLLHLGN-ZDUSSCGKSA-N 1 0 323.437 2.493 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)c(O)c1OC ZINC000892435866 625640073 /nfs/dbraw/zinc/64/00/73/625640073.db2.gz UFMKYULHIJZHKH-CQSZACIVSA-N 1 0 303.358 2.233 20 10 DECDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970830358 623730716 /nfs/dbraw/zinc/73/07/16/623730716.db2.gz GQHHQBWGADIDKH-CQSZACIVSA-N 1 0 317.393 2.309 20 10 DECDRO CCOCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254950 623800534 /nfs/dbraw/zinc/80/05/34/623800534.db2.gz KRJINKKHNLSFRM-KRWDZBQOSA-N 1 0 321.465 2.288 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)cc1C ZINC000160474275 623822952 /nfs/dbraw/zinc/82/29/52/623822952.db2.gz LBKXMSNEXVQHEN-AWEZNQCLSA-N 1 0 316.405 2.213 20 10 DECDRO CC(C)[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970955173 623833483 /nfs/dbraw/zinc/83/34/83/623833483.db2.gz TVTCPSIZWUUTEZ-NSHDSACASA-N 1 0 317.393 2.308 20 10 DECDRO CCC1([NH3+])CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000891456510 624206405 /nfs/dbraw/zinc/20/64/05/624206405.db2.gz OSUTXSQYOCXEEO-UHFFFAOYSA-N 1 0 322.428 2.305 20 10 DECDRO C[NH2+]Cc1ccccc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892228358 624856923 /nfs/dbraw/zinc/85/69/23/624856923.db2.gz GSOTUIIAUCSHND-UHFFFAOYSA-N 1 0 311.385 2.337 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892555529 625145662 /nfs/dbraw/zinc/14/56/62/625145662.db2.gz HYIUPWZUVWLVQH-CYBMUJFWSA-N 1 0 317.389 2.310 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C2CC2)cc1 ZINC000892578675 625166377 /nfs/dbraw/zinc/16/63/77/625166377.db2.gz OFSMYPYXXQZVHY-SHTZXODSSA-N 1 0 316.449 2.164 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)F)C2)cc1C ZINC001019929223 625849043 /nfs/dbraw/zinc/84/90/43/625849043.db2.gz CYIZOQYFNFYHQS-HDJSIYSDSA-N 1 0 308.397 2.489 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000725844988 625941297 /nfs/dbraw/zinc/94/12/97/625941297.db2.gz FGCXGKFKARBOHT-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO CC[NH2+]C[C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980819034 635165465 /nfs/dbraw/zinc/16/54/65/635165465.db2.gz OFUNFJDJXBGKCU-VXGBXAGGSA-N 1 0 317.393 2.309 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000317188799 635181522 /nfs/dbraw/zinc/18/15/22/635181522.db2.gz SUNCEEZBYVQJCK-HNNXBMFYSA-N 1 0 321.490 2.196 20 10 DECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921801225 635280413 /nfs/dbraw/zinc/28/04/13/635280413.db2.gz RFTULDWOLCAYAN-SUMWQHHRSA-N 1 0 302.418 2.358 20 10 DECDRO CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC000981197631 635358545 /nfs/dbraw/zinc/35/85/45/635358545.db2.gz ATZKEOGMXABGNZ-KGLIPLIRSA-N 1 0 321.421 2.139 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CNOC2)c1O ZINC000925862679 635964054 /nfs/dbraw/zinc/96/40/54/635964054.db2.gz XNVSVJPGDLZGEW-PSASIEDQSA-N 1 0 301.184 2.017 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000894041629 636097226 /nfs/dbraw/zinc/09/72/26/636097226.db2.gz FILSOMFOCQZFSN-UHFFFAOYSA-N 1 0 306.406 2.187 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000922641426 636296641 /nfs/dbraw/zinc/29/66/41/636296641.db2.gz LJCVPZQLHWDMAJ-LDYMZIIASA-N 1 0 316.195 2.288 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922807865 636420781 /nfs/dbraw/zinc/42/07/81/636420781.db2.gz FIURWTQXWYGOHF-CYBMUJFWSA-N 1 0 307.390 2.219 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCOC[C@H]2CCOC2)c1O ZINC000894298520 636745037 /nfs/dbraw/zinc/74/50/37/636745037.db2.gz OZGJPQNTUAUBRN-CQSZACIVSA-N 1 0 309.406 2.242 20 10 DECDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857750 636969199 /nfs/dbraw/zinc/96/91/99/636969199.db2.gz RCTIAPUUAYTGER-QWRGUYRKSA-N 1 0 314.480 2.194 20 10 DECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894532019 637092511 /nfs/dbraw/zinc/09/25/11/637092511.db2.gz HHVDINOWEMYHNA-XPKDYRNWSA-N 1 0 319.401 2.483 20 10 DECDRO CCOCc1cc(C[NH2+]C2(C)CN(C(=O)OC)C2)ccc1OC ZINC000894542896 637097463 /nfs/dbraw/zinc/09/74/63/637097463.db2.gz RIXQCBKKXFLTBA-UHFFFAOYSA-N 1 0 322.405 2.162 20 10 DECDRO COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(O)c1OC ZINC000894621489 637136578 /nfs/dbraw/zinc/13/65/78/637136578.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 1 0 320.433 2.327 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCS(=O)CC1 ZINC000894939613 637340729 /nfs/dbraw/zinc/34/07/29/637340729.db2.gz MRKUDZSVCQBOEW-DOOHWEDMSA-N 1 0 308.491 2.493 20 10 DECDRO COCCN(CC1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000178975147 637533214 /nfs/dbraw/zinc/53/32/14/637533214.db2.gz OKKSVRQTARBJFR-UHFFFAOYSA-N 1 0 308.422 2.156 20 10 DECDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1(F)F ZINC000895140299 637655405 /nfs/dbraw/zinc/65/54/05/637655405.db2.gz PNYZAVBJEAJARG-MWLCHTKSSA-N 1 0 305.708 2.190 20 10 DECDRO CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(C)cc1O ZINC000840821303 650362259 /nfs/dbraw/zinc/36/22/59/650362259.db2.gz BWUZGFZLEOHQLV-AWEZNQCLSA-N 1 0 306.406 2.037 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@](O)(CO)C2)ccc1N1CCCCC1 ZINC000839147200 637789220 /nfs/dbraw/zinc/78/92/20/637789220.db2.gz GAIAFTVERFYSDT-LJQANCHMSA-N 1 0 318.461 2.305 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NCC[NH+](C)C ZINC000840868306 650368964 /nfs/dbraw/zinc/36/89/64/650368964.db2.gz DSSLHAPXBQPXGP-CQSZACIVSA-N 1 0 322.522 2.018 20 10 DECDRO Cc1cc(O)c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000840890791 650371735 /nfs/dbraw/zinc/37/17/35/650371735.db2.gz RJFJNEARDNOVAR-QWHCGFSZSA-N 1 0 310.825 2.307 20 10 DECDRO COCCN1CC[C@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840892819 650372362 /nfs/dbraw/zinc/37/23/62/650372362.db2.gz DQOVXZYYDQISSA-AEFFLSMTSA-N 1 0 319.493 2.302 20 10 DECDRO CCc1cccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000895342401 637948983 /nfs/dbraw/zinc/94/89/83/637948983.db2.gz GKPVFMSTLAJQIZ-MRXNPFEDSA-N 1 0 317.433 2.334 20 10 DECDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000727473534 637957775 /nfs/dbraw/zinc/95/77/75/637957775.db2.gz CAWZUWQLUXWPLP-MRXNPFEDSA-N 1 0 318.465 2.425 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000840914477 650379871 /nfs/dbraw/zinc/37/98/71/650379871.db2.gz UJFMYBIUYYBGEL-HOTGVXAUSA-N 1 0 324.852 2.385 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)C1CCOCC1 ZINC000840940020 650390600 /nfs/dbraw/zinc/39/06/00/650390600.db2.gz UGIIMKLXXBIVFT-GOSISDBHSA-N 1 0 306.450 2.328 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C(C)C)c(Cl)c1 ZINC000840946448 650392286 /nfs/dbraw/zinc/39/22/86/650392286.db2.gz KMPNCEHQPPGJNG-UHFFFAOYSA-N 1 0 305.827 2.267 20 10 DECDRO CN(C)C(=O)C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000840959169 650395251 /nfs/dbraw/zinc/39/52/51/650395251.db2.gz VKUUOFPRHPAGAK-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO CCOCc1cc(C[NH2+]C2CCN(C(C)=O)CC2)ccc1OC ZINC000727644541 638165902 /nfs/dbraw/zinc/16/59/02/638165902.db2.gz MELOMWFKSRSSPS-UHFFFAOYSA-N 1 0 320.433 2.332 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000895722624 638167094 /nfs/dbraw/zinc/16/70/94/638167094.db2.gz YAWOLOLSNWRHMH-OAHLLOKOSA-N 1 0 321.417 2.154 20 10 DECDRO COc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c(O)c1OC ZINC000895754808 638182107 /nfs/dbraw/zinc/18/21/07/638182107.db2.gz RLJHEMATKUGGJH-LBPRGKRZSA-N 1 0 317.332 2.265 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1 ZINC000895822569 638217427 /nfs/dbraw/zinc/21/74/27/638217427.db2.gz OQNHUQOAFFEAAZ-MHRLRVJTSA-N 1 0 321.417 2.463 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1 ZINC000895822573 638217655 /nfs/dbraw/zinc/21/76/55/638217655.db2.gz OQNHUQOAFFEAAZ-VNVHMNPZSA-N 1 0 321.417 2.463 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895859656 638237377 /nfs/dbraw/zinc/23/73/77/638237377.db2.gz UZZGEEQKFYJYCA-ZFWWWQNUSA-N 1 0 309.406 2.240 20 10 DECDRO COCCN(C)c1ccc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841038980 650412023 /nfs/dbraw/zinc/41/20/23/650412023.db2.gz WFFPVOQQCKXQGS-UHFFFAOYSA-N 1 0 314.433 2.079 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044001 650412724 /nfs/dbraw/zinc/41/27/24/650412724.db2.gz SPHHQWJSFATYLG-INIZCTEOSA-N 1 0 315.417 2.256 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896395753 638500462 /nfs/dbraw/zinc/50/04/62/638500462.db2.gz KVDLOGRWMJHENY-DYVFJYSZSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1 ZINC000896398817 638503465 /nfs/dbraw/zinc/50/34/65/638503465.db2.gz WVHGPRPEXJHNAK-RHSMWYFYSA-N 1 0 304.390 2.411 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841087761 650427762 /nfs/dbraw/zinc/42/77/62/650427762.db2.gz SPKUCTVIVCNFOY-UHFFFAOYSA-N 1 0 323.868 2.352 20 10 DECDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000748460288 638558391 /nfs/dbraw/zinc/55/83/91/638558391.db2.gz NLJOQVUVFJNEEM-UHFFFAOYSA-N 1 0 305.422 2.312 20 10 DECDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(N)cc1 ZINC000841299944 650471493 /nfs/dbraw/zinc/47/14/93/650471493.db2.gz KPBRXSAIBYNPPO-UHFFFAOYSA-N 1 0 308.426 2.091 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+]2CCC2)cc1F ZINC000752665167 639207718 /nfs/dbraw/zinc/20/77/18/639207718.db2.gz NFYCHCHSABHZAC-UHFFFAOYSA-N 1 0 322.428 2.177 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000753597654 639319116 /nfs/dbraw/zinc/31/91/16/639319116.db2.gz ZDLJSFCLUDQILD-CYBMUJFWSA-N 1 0 307.390 2.376 20 10 DECDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756118604 639627151 /nfs/dbraw/zinc/62/71/51/639627151.db2.gz DXNBTNLGMUFXGT-RHSMWYFYSA-N 1 0 322.474 2.200 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)ccc1O ZINC000756433250 639661749 /nfs/dbraw/zinc/66/17/49/639661749.db2.gz CJOQCWGDCVPWEO-KOLCDFICSA-N 1 0 316.195 2.221 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2O ZINC000756474966 639665016 /nfs/dbraw/zinc/66/50/16/639665016.db2.gz FHTINGHRXIPVGR-IONNQARKSA-N 1 0 320.286 2.348 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCC2CC2)c2c1c(F)ccc2O ZINC000756512123 639668178 /nfs/dbraw/zinc/66/81/78/639668178.db2.gz VOYREGXDGJYLCO-OSMZGAPFSA-N 1 0 309.381 2.457 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCCC[C@@H]2C)c1 ZINC000839538796 639752431 /nfs/dbraw/zinc/75/24/31/639752431.db2.gz GPQSFUHETLVIKX-STQMWFEESA-N 1 0 306.406 2.452 20 10 DECDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000841654963 650530347 /nfs/dbraw/zinc/53/03/47/650530347.db2.gz QQTDMMXAEKWEDG-MRXNPFEDSA-N 1 0 304.438 2.036 20 10 DECDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710515 650547859 /nfs/dbraw/zinc/54/78/59/650547859.db2.gz XPBILLJDAKPJFR-WMLDXEAASA-N 1 0 316.449 2.084 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000841709572 650546896 /nfs/dbraw/zinc/54/68/96/650546896.db2.gz IBQQYWXJYDNJSY-GDBMZVCRSA-N 1 0 316.449 2.227 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000841710470 650546930 /nfs/dbraw/zinc/54/69/30/650546930.db2.gz WKSGMXBFZCBVJB-MRXNPFEDSA-N 1 0 316.449 2.086 20 10 DECDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709425 650547072 /nfs/dbraw/zinc/54/70/72/650547072.db2.gz FSPSFXBUFCZNBI-HOTGVXAUSA-N 1 0 316.449 2.356 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1F ZINC000841758918 650558460 /nfs/dbraw/zinc/55/84/60/650558460.db2.gz DNQLZBDSVXVKQK-UHFFFAOYSA-N 1 0 322.428 2.081 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759423 650558548 /nfs/dbraw/zinc/55/85/48/650558548.db2.gz NUXGHVQYHZVLSX-INIZCTEOSA-N 1 0 318.465 2.242 20 10 DECDRO CN1CCCc2cc(CNC(=O)NCCC[NH2+]C3CC3)ccc21 ZINC000841757865 650557865 /nfs/dbraw/zinc/55/78/65/650557865.db2.gz BIWMCVGGIWMPDA-UHFFFAOYSA-N 1 0 316.449 2.010 20 10 DECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841755549 650557866 /nfs/dbraw/zinc/55/78/66/650557866.db2.gz IXDSBXGNACTRGD-MWLCHTKSSA-N 1 0 320.842 2.024 20 10 DECDRO CN1CCCc2cc(CNC(=O)NC3CCC([NH3+])CC3)ccc21 ZINC000841760022 650558732 /nfs/dbraw/zinc/55/87/32/650558732.db2.gz RJENFUJIBUXEMN-UHFFFAOYSA-N 1 0 316.449 2.138 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761215486 640285752 /nfs/dbraw/zinc/28/57/52/640285752.db2.gz MESUKSPFJYXDQN-NEPJUHHUSA-N 1 0 312.797 2.059 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000841823630 650570957 /nfs/dbraw/zinc/57/09/57/650570957.db2.gz DZCXNPPFYOXENI-UHFFFAOYSA-N 1 0 316.449 2.170 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841824203 650571053 /nfs/dbraw/zinc/57/10/53/650571053.db2.gz NNMJBFDZQSELLB-DZGCQCFKSA-N 1 0 304.438 2.001 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000841825002 650571741 /nfs/dbraw/zinc/57/17/41/650571741.db2.gz WBFXGYFSNVWNIJ-UHFFFAOYSA-N 1 0 304.438 2.084 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1F ZINC000841798110 650566837 /nfs/dbraw/zinc/56/68/37/650566837.db2.gz DUCUDWRZFJQCBN-UHFFFAOYSA-N 1 0 322.428 2.303 20 10 DECDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831971 650574735 /nfs/dbraw/zinc/57/47/35/650574735.db2.gz JEFFIONLDZHIFA-UHFFFAOYSA-N 1 0 316.449 2.189 20 10 DECDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000762788750 640460062 /nfs/dbraw/zinc/46/00/62/640460062.db2.gz XBDCYPFPYFDAPL-UHFFFAOYSA-N 1 0 320.433 2.345 20 10 DECDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000067592844 640475084 /nfs/dbraw/zinc/47/50/84/640475084.db2.gz JYUAMNXGPRDDBH-HNNXBMFYSA-N 1 0 319.449 2.041 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000763465598 640545403 /nfs/dbraw/zinc/54/54/03/640545403.db2.gz AWCISILXODJWBI-OAHLLOKOSA-N 1 0 309.406 2.058 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880952 650591260 /nfs/dbraw/zinc/59/12/60/650591260.db2.gz KWBTXZLLXSGNMM-CXAGYDPISA-N 1 0 304.438 2.194 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882994 650592386 /nfs/dbraw/zinc/59/23/86/650592386.db2.gz QLANDZCUTJBEID-KCQAQPDRSA-N 1 0 304.438 2.192 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841938974 650606336 /nfs/dbraw/zinc/60/63/36/650606336.db2.gz RVIKSVIRVPSFDU-HNNXBMFYSA-N 1 0 318.465 2.284 20 10 DECDRO C[NH2+]CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841935560 650606480 /nfs/dbraw/zinc/60/64/80/650606480.db2.gz XPDQCQZHCBVUDK-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000729526697 640788376 /nfs/dbraw/zinc/78/83/76/640788376.db2.gz BIGWBPMAHHIQNF-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)C3CC3)CC2)cc1 ZINC000765933386 640829588 /nfs/dbraw/zinc/82/95/88/640829588.db2.gz BDSJBJIQQWBJNK-SFHVURJKSA-N 1 0 304.434 2.415 20 10 DECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956515 650611887 /nfs/dbraw/zinc/61/18/87/650611887.db2.gz GHQJGNCKUXGUKY-WMLDXEAASA-N 1 0 316.449 2.080 20 10 DECDRO Nc1ccc(CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000841036438 640969071 /nfs/dbraw/zinc/96/90/71/640969071.db2.gz NOLHDVNSAHWBRZ-UHFFFAOYSA-N 1 0 309.413 2.493 20 10 DECDRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897951093 640983857 /nfs/dbraw/zinc/98/38/57/640983857.db2.gz YPBQKAZZZXMQRU-DNVCBOLYSA-N 1 0 311.381 2.453 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C)cc1O ZINC000897989973 640996685 /nfs/dbraw/zinc/99/66/85/640996685.db2.gz LQYNQHMQHPSUKU-CYBMUJFWSA-N 1 0 315.373 2.308 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842009485 650627314 /nfs/dbraw/zinc/62/73/14/650627314.db2.gz BMMQIVZAYSOCCF-DZGCQCFKSA-N 1 0 305.422 2.441 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c1 ZINC000768233745 641061324 /nfs/dbraw/zinc/06/13/24/641061324.db2.gz QZUVNUIJUQOYKC-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000768327938 641069328 /nfs/dbraw/zinc/06/93/28/641069328.db2.gz WXOBMKHYZPUAMJ-UHFFFAOYSA-N 1 0 306.406 2.137 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461861 641084556 /nfs/dbraw/zinc/08/45/56/641084556.db2.gz GQTSOKSVXDHWBT-AHIWAGSCSA-N 1 0 319.401 2.067 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3COC[C@@H]3C3CC3)cc2)CC1 ZINC000898377503 641125493 /nfs/dbraw/zinc/12/54/93/641125493.db2.gz VNXRAOHTYPOYEQ-MOPGFXCFSA-N 1 0 316.445 2.162 20 10 DECDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769120318 641179254 /nfs/dbraw/zinc/17/92/54/641179254.db2.gz KWYHKGOKCSWHAY-AWEZNQCLSA-N 1 0 306.406 2.234 20 10 DECDRO CCOc1ccc(CN(CC(N)=O)Cc2ccccc2)c(O)c1 ZINC000769398818 641233535 /nfs/dbraw/zinc/23/35/35/641233535.db2.gz FPVXFJWRWWPFCM-UHFFFAOYSA-N 1 0 314.385 2.278 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000769528276 641256798 /nfs/dbraw/zinc/25/67/98/641256798.db2.gz UCAHFPWGTITNRJ-CQSZACIVSA-N 1 0 307.390 2.171 20 10 DECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769934406 641310730 /nfs/dbraw/zinc/31/07/30/641310730.db2.gz CWFYTQZVLFAXBC-XYBNCVKDSA-N 1 0 308.397 2.079 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC000770388010 641364265 /nfs/dbraw/zinc/36/42/65/641364265.db2.gz SJVOTRPNZPTANX-AWEZNQCLSA-N 1 0 316.405 2.295 20 10 DECDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000770509735 641379080 /nfs/dbraw/zinc/37/90/80/641379080.db2.gz RYMDTKQMRZEBCO-GFCCVEGCSA-N 1 0 320.414 2.233 20 10 DECDRO C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000926978913 641551067 /nfs/dbraw/zinc/55/10/67/641551067.db2.gz JOAPXPZGNGOXBA-OLZOCXBDSA-N 1 0 302.418 2.448 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]12CC(=O)N[C@H]1CCCC2 ZINC000898461907 641668202 /nfs/dbraw/zinc/66/82/02/641668202.db2.gz BCWMMXCLVDCAIA-FUHWJXTLSA-N 1 0 301.434 2.352 20 10 DECDRO CC[C@H]1C(=O)NCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000898559212 641704584 /nfs/dbraw/zinc/70/45/84/641704584.db2.gz ILJNWXBEQDYVLW-WVRJYTFGSA-N 1 0 301.434 2.366 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c(O)c1 ZINC000927145997 641776936 /nfs/dbraw/zinc/77/69/36/641776936.db2.gz MIHWUJMMHRTHET-STQMWFEESA-N 1 0 300.406 2.346 20 10 DECDRO Cc1cc(C(=O)NC2CC([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000773486123 641785199 /nfs/dbraw/zinc/78/51/99/641785199.db2.gz JACDRNDGHZVACH-UHFFFAOYSA-N 1 0 312.417 2.312 20 10 DECDRO C[C@H]([NH2+]CCC1OCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775257032 642022586 /nfs/dbraw/zinc/02/25/86/642022586.db2.gz DNOJTAOYTYUMIN-HNNXBMFYSA-N 1 0 320.433 2.327 20 10 DECDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2O)C1 ZINC000775997878 642121798 /nfs/dbraw/zinc/12/17/98/642121798.db2.gz DKVFAJOGXABCBT-RYUDHWBXSA-N 1 0 310.369 2.488 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000776221910 642145425 /nfs/dbraw/zinc/14/54/25/642145425.db2.gz XEPKJNAAFBNFDI-OWYVNGRQSA-N 1 0 308.809 2.453 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000776867566 642214195 /nfs/dbraw/zinc/21/41/95/642214195.db2.gz DBVFFASMCLTERX-UKPHBRMFSA-N 1 0 309.406 2.172 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCCOC)c1ccccc1O ZINC000776866670 642214487 /nfs/dbraw/zinc/21/44/87/642214487.db2.gz GKNAXSHHHUREIU-ZOBUZTSGSA-N 1 0 309.406 2.253 20 10 DECDRO CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841071787 642558415 /nfs/dbraw/zinc/55/84/15/642558415.db2.gz BKCRTUBRIMBHKK-LBPRGKRZSA-N 1 0 313.785 2.432 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c(O)cc1C ZINC000842617821 650783755 /nfs/dbraw/zinc/78/37/55/650783755.db2.gz WVAZLQQHBFXJGF-CQSZACIVSA-N 1 0 314.389 2.186 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccnc(N)c1 ZINC000785630764 643255817 /nfs/dbraw/zinc/25/58/17/643255817.db2.gz LDMWTKLLRWEJEK-UHFFFAOYSA-N 1 0 312.417 2.132 20 10 DECDRO CO[C@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000786823303 643414419 /nfs/dbraw/zinc/41/44/19/643414419.db2.gz JRGAQRPBXBECQO-GFCCVEGCSA-N 1 0 307.268 2.178 20 10 DECDRO COc1ccc2c(c1)CCCN2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718327 643438119 /nfs/dbraw/zinc/43/81/19/643438119.db2.gz KSAUBHROQLNDIQ-SJLPKXTDSA-N 1 0 302.418 2.216 20 10 DECDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(N2CCOCC2)cc1 ZINC000788255221 643582666 /nfs/dbraw/zinc/58/26/66/643582666.db2.gz GJLYPXFYVAGILF-OAHLLOKOSA-N 1 0 314.433 2.150 20 10 DECDRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(N2CCOCC2)cc1 ZINC000788255218 643582695 /nfs/dbraw/zinc/58/26/95/643582695.db2.gz GJLYPXFYVAGILF-HNNXBMFYSA-N 1 0 314.433 2.150 20 10 DECDRO O[C@H](CCC1(O)CCC1)C[NH2+]CCCSc1nccs1 ZINC000905110293 643792462 /nfs/dbraw/zinc/79/24/62/643792462.db2.gz LYVJWXSIQCWGCV-GFCCVEGCSA-N 1 0 316.492 2.271 20 10 DECDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789957675 643795419 /nfs/dbraw/zinc/79/54/19/643795419.db2.gz USUDJLWZNUWGJJ-VXGBXAGGSA-N 1 0 324.396 2.335 20 10 DECDRO CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843052707 650878609 /nfs/dbraw/zinc/87/86/09/650878609.db2.gz RRKKZGMAGZFEPE-DOTOQJQBSA-N 1 0 321.440 2.222 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000792929498 644169909 /nfs/dbraw/zinc/16/99/09/644169909.db2.gz CXABGKJMHMQABJ-CQSZACIVSA-N 1 0 321.421 2.074 20 10 DECDRO O=C(NCc1ccccc1O)NC1CC([NH+]2CCCCC2)C1 ZINC000792953194 644172839 /nfs/dbraw/zinc/17/28/39/644172839.db2.gz OIUFKVGOIVWYBO-UHFFFAOYSA-N 1 0 303.406 2.208 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(OC)cc1O ZINC000793094240 644190074 /nfs/dbraw/zinc/19/00/74/644190074.db2.gz UNKLKMFFTGRNHT-CQSZACIVSA-N 1 0 321.421 2.074 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c(O)c1 ZINC000793386011 644243791 /nfs/dbraw/zinc/24/37/91/644243791.db2.gz GGMSKLURYZQNFQ-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1F ZINC000793394004 644245728 /nfs/dbraw/zinc/24/57/28/644245728.db2.gz HQTMQPNNLWOBOM-UHFFFAOYSA-N 1 0 307.413 2.382 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3c(C)cnn3C)CC2)cc1 ZINC000796279872 644711386 /nfs/dbraw/zinc/71/13/86/644711386.db2.gz RTMFWENCQCOQRS-UHFFFAOYSA-N 1 0 314.433 2.496 20 10 DECDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796498844 644745732 /nfs/dbraw/zinc/74/57/32/644745732.db2.gz YIFJDMQXTRZPMN-HOCLYGCPSA-N 1 0 322.424 2.425 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1(S(C)(=O)=O)CC1 ZINC000797071371 644834221 /nfs/dbraw/zinc/83/42/21/644834221.db2.gz RWKPXWRTJGPOKN-VHSXEESVSA-N 1 0 301.383 2.148 20 10 DECDRO COC[C@H](C)OC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459808 644867242 /nfs/dbraw/zinc/86/72/42/644867242.db2.gz LIMHONBWWFWYOW-XJKSGUPXSA-N 1 0 323.437 2.116 20 10 DECDRO O=C1N[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@@H]2CO1 ZINC000843433710 650974647 /nfs/dbraw/zinc/97/46/47/650974647.db2.gz HPEILPGQHZGGEO-ZBFHGGJFSA-N 1 0 312.369 2.476 20 10 DECDRO C[NH+](C)[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910947781 645598779 /nfs/dbraw/zinc/59/87/79/645598779.db2.gz MUJCVZKTKNQEPU-INIZCTEOSA-N 1 0 314.385 2.407 20 10 DECDRO CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000843989475 651059243 /nfs/dbraw/zinc/05/92/43/651059243.db2.gz OMAWGSXCPJHBSH-BRLPQQTGSA-N 1 0 304.390 2.054 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000808708001 646131146 /nfs/dbraw/zinc/13/11/46/646131146.db2.gz DQMCFLMLLJFNRX-IINYFYTJSA-N 1 0 309.797 2.472 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1C ZINC000809603513 646245061 /nfs/dbraw/zinc/24/50/61/646245061.db2.gz QKYAIPBUBJEKRZ-UHFFFAOYSA-N 1 0 301.390 2.168 20 10 DECDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccccn2)c1O ZINC000809741625 646273682 /nfs/dbraw/zinc/27/36/82/646273682.db2.gz ZXZWZDWECMETJZ-UHFFFAOYSA-N 1 0 315.417 2.360 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H](O)COC)c1ccc(C(F)(F)F)cc1O ZINC000810241014 646343486 /nfs/dbraw/zinc/34/34/86/646343486.db2.gz KVWDJLAYTSXMOA-ZYHUDNBSSA-N 1 0 307.312 2.459 20 10 DECDRO CC[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164304601 646434201 /nfs/dbraw/zinc/43/42/01/646434201.db2.gz BMZINQUDWMXIJX-OAHLLOKOSA-N 1 0 320.433 2.409 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000165090861 646484924 /nfs/dbraw/zinc/48/49/24/646484924.db2.gz UEPGNGGJBSMUJF-CQSZACIVSA-N 1 0 306.406 2.009 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000813489118 646777227 /nfs/dbraw/zinc/77/72/27/646777227.db2.gz PEVKNWCZOKQDJZ-LBPRGKRZSA-N 1 0 306.406 2.310 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1O ZINC000173862102 646781301 /nfs/dbraw/zinc/78/13/01/646781301.db2.gz XQKYNCGMPBKWBV-ZDUSSCGKSA-N 1 0 321.421 2.074 20 10 DECDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccccn3)SC2=S)CC1 ZINC000063824179 646792279 /nfs/dbraw/zinc/79/22/79/646792279.db2.gz BAHFMEXIEAQDPN-RAXLEYEMSA-N 1 0 319.455 2.377 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000815020141 646957593 /nfs/dbraw/zinc/95/75/93/646957593.db2.gz RWLAHEWNODDRBD-INIZCTEOSA-N 1 0 324.490 2.460 20 10 DECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815075588 646963920 /nfs/dbraw/zinc/96/39/20/646963920.db2.gz HFYJGEJAYJGIRZ-KRWDZBQOSA-N 1 0 303.450 2.361 20 10 DECDRO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000914180840 647207149 /nfs/dbraw/zinc/20/71/49/647207149.db2.gz XWLNGXIKJAKKJF-YOEHRIQHSA-N 1 0 316.449 2.179 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000817410825 647287807 /nfs/dbraw/zinc/28/78/07/647287807.db2.gz HUFULHJOAIEIBD-AVGNSLFASA-N 1 0 306.406 2.343 20 10 DECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817413263 647289262 /nfs/dbraw/zinc/28/92/62/647289262.db2.gz UYLACZKACXMTTG-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1F ZINC000817776031 647359332 /nfs/dbraw/zinc/35/93/32/647359332.db2.gz ZSGPBZYFFMGXHO-CQSZACIVSA-N 1 0 322.428 2.127 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000817941446 647388727 /nfs/dbraw/zinc/38/87/27/647388727.db2.gz JTEWUBQWKXUBLY-IAGOWNOFSA-N 1 0 303.450 2.301 20 10 DECDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817958923 647393470 /nfs/dbraw/zinc/39/34/70/647393470.db2.gz MTYASBDPIPHAKS-XJKSGUPXSA-N 1 0 309.429 2.296 20 10 DECDRO CC[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(C(F)(F)F)cc1O ZINC000817982808 647400027 /nfs/dbraw/zinc/40/00/27/647400027.db2.gz HNAVQXLFVZVPBQ-YPMHNXCESA-N 1 0 318.339 2.440 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000817984915 647400688 /nfs/dbraw/zinc/40/06/88/647400688.db2.gz CAEIWXJLXVHABT-LBPRGKRZSA-N 1 0 304.390 2.139 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000731053268 647443041 /nfs/dbraw/zinc/44/30/41/647443041.db2.gz KKVCNXUFOVUTSU-KRWDZBQOSA-N 1 0 315.461 2.491 20 10 DECDRO CCN(C)C(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000732202458 647549483 /nfs/dbraw/zinc/54/94/83/647549483.db2.gz RAVUEOVVOMYMBB-UHFFFAOYSA-N 1 0 302.374 2.466 20 10 DECDRO C[NH+](C)CCOc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000732272889 647555834 /nfs/dbraw/zinc/55/58/34/647555834.db2.gz REGAHYBYELUBBU-UHFFFAOYSA-N 1 0 320.414 2.324 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccccc1 ZINC000818997073 647561612 /nfs/dbraw/zinc/56/16/12/647561612.db2.gz RDASJKXLZYKTGY-GOSISDBHSA-N 1 0 313.397 2.289 20 10 DECDRO CC(C)[N@H+](CCN1C(=O)CCC1=O)Cc1ccc(N(C)C)cc1 ZINC000917074605 647963246 /nfs/dbraw/zinc/96/32/46/647963246.db2.gz CIIPMMJYHPWCEA-UHFFFAOYSA-N 1 0 317.433 2.112 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000822530158 648226577 /nfs/dbraw/zinc/22/65/77/648226577.db2.gz RVKQRRFNMRWEIC-UHFFFAOYSA-N 1 0 316.449 2.051 20 10 DECDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000823408962 648414663 /nfs/dbraw/zinc/41/46/63/648414663.db2.gz DEWYGMMOMIUZCS-GFCCVEGCSA-N 1 0 317.393 2.405 20 10 DECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824637495 648628533 /nfs/dbraw/zinc/62/85/33/648628533.db2.gz XLVVVLCTUOMIBZ-WBVHZDCISA-N 1 0 322.424 2.255 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000824726850 648644085 /nfs/dbraw/zinc/64/40/85/648644085.db2.gz XIMPAVSRAQKWNV-CYBMUJFWSA-N 1 0 307.724 2.256 20 10 DECDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1COCCO1 ZINC000827139807 648980589 /nfs/dbraw/zinc/98/05/89/648980589.db2.gz FNKIYKPZJQNMRH-GFCCVEGCSA-N 1 0 316.195 2.002 20 10 DECDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@H]21 ZINC000827234158 648998125 /nfs/dbraw/zinc/99/81/25/648998125.db2.gz XAUMFRLHETZAPE-GXTWGEPZSA-N 1 0 315.377 2.015 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320442 649013790 /nfs/dbraw/zinc/01/37/90/649013790.db2.gz IUCZNTXMXLYMHT-AWEZNQCLSA-N 1 0 321.490 2.244 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1N ZINC000827336115 649017061 /nfs/dbraw/zinc/01/70/61/649017061.db2.gz AHQLSYBBTIKCQP-UHFFFAOYSA-N 1 0 312.417 2.132 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1O ZINC000827538370 649048304 /nfs/dbraw/zinc/04/83/04/649048304.db2.gz PMTIWTQFKKBYPT-IAGOWNOFSA-N 1 0 316.445 2.434 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000830648672 649473128 /nfs/dbraw/zinc/47/31/28/649473128.db2.gz PUZBAXOWRIHCSG-IAGOWNOFSA-N 1 0 318.442 2.234 20 10 DECDRO CC(C)c1n[nH]cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279207 649691890 /nfs/dbraw/zinc/69/18/90/649691890.db2.gz HBUJGOJYQAZHTD-HNNXBMFYSA-N 1 0 315.421 2.029 20 10 DECDRO CCCCO[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282042 649691923 /nfs/dbraw/zinc/69/19/23/649691923.db2.gz XPCFCDNSTFRKFE-BBRMVZONSA-N 1 0 307.438 2.074 20 10 DECDRO COc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285236 649692242 /nfs/dbraw/zinc/69/22/42/649692242.db2.gz PYWMOQVXUJOVRQ-INIZCTEOSA-N 1 0 313.401 2.191 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnc(Cl)c2)cc1 ZINC000832293351 649693280 /nfs/dbraw/zinc/69/32/80/649693280.db2.gz VJMMALVZAZKBBH-AWEZNQCLSA-N 1 0 318.808 2.231 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844162376 651084577 /nfs/dbraw/zinc/08/45/77/651084577.db2.gz MIVMHMGAYXYQSE-NXHRZFHOSA-N 1 0 313.445 2.386 20 10 DECDRO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399670 651122755 /nfs/dbraw/zinc/12/27/55/651122755.db2.gz MLCHGTPNDQFWTL-CABCVRRESA-N 1 0 321.465 2.366 20 10 DECDRO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399857 651122826 /nfs/dbraw/zinc/12/28/26/651122826.db2.gz QJKLSDKMAQMERB-OAHLLOKOSA-N 1 0 321.465 2.320 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCN(C(C)C)C2=O)cc1 ZINC000844401342 651123341 /nfs/dbraw/zinc/12/33/41/651123341.db2.gz MESJIALZCWLNQZ-KRWDZBQOSA-N 1 0 319.449 2.073 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccnc2N)cc1 ZINC000844402300 651123452 /nfs/dbraw/zinc/12/34/52/651123452.db2.gz SIGJDPOOUWIKGF-UHFFFAOYSA-N 1 0 300.406 2.241 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000845005450 651192459 /nfs/dbraw/zinc/19/24/59/651192459.db2.gz XTZRRQUYKVRGBJ-AWEZNQCLSA-N 1 0 323.824 2.329 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000845010522 651193186 /nfs/dbraw/zinc/19/31/86/651193186.db2.gz MPMBHTTUSRTDRP-ZWNOBZJWSA-N 1 0 311.813 2.328 20 10 DECDRO COc1cccc(CNC(=O)NCCC[N@H+](C)CC(C)C)c1O ZINC000845309553 651231138 /nfs/dbraw/zinc/23/11/38/651231138.db2.gz JCWVSNPGMUQXHE-UHFFFAOYSA-N 1 0 323.437 2.178 20 10 DECDRO C[C@H](O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000846016011 651301557 /nfs/dbraw/zinc/30/15/57/651301557.db2.gz FKERUEKJRATOLL-BTDLBPIBSA-N 1 0 319.332 2.472 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846071007 651306197 /nfs/dbraw/zinc/30/61/97/651306197.db2.gz GDBBLYHZFJPJNZ-RYUDHWBXSA-N 1 0 304.390 2.062 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000846108111 651308067 /nfs/dbraw/zinc/30/80/67/651308067.db2.gz NWGPCRSPIDEKJX-AWEZNQCLSA-N 1 0 314.385 2.267 20 10 DECDRO OCC1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000846103708 651308143 /nfs/dbraw/zinc/30/81/43/651308143.db2.gz VWYXXABAPXEATR-UHFFFAOYSA-N 1 0 304.434 2.166 20 10 DECDRO [NH3+]CC1(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000846139297 651310476 /nfs/dbraw/zinc/31/04/76/651310476.db2.gz ZPCXKKUZQDEMNM-UHFFFAOYSA-N 1 0 316.449 2.215 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000846141965 651310591 /nfs/dbraw/zinc/31/05/91/651310591.db2.gz OYJRZVIXBVKZKA-CYBMUJFWSA-N 1 0 314.385 2.368 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000846159462 651311967 /nfs/dbraw/zinc/31/19/67/651311967.db2.gz ORUWVLQYKHTREO-LLVKDONJSA-N 1 0 302.378 2.108 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000846169909 651312497 /nfs/dbraw/zinc/31/24/97/651312497.db2.gz GWEVMYKAWVTEPY-MNOVXSKESA-N 1 0 313.419 2.017 20 10 DECDRO CCn1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1=O ZINC000846167622 651312578 /nfs/dbraw/zinc/31/25/78/651312578.db2.gz MCKIXZMOXLIYNA-GFCCVEGCSA-N 1 0 302.374 2.433 20 10 DECDRO CC(C)C[N@H+](C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846290816 651321429 /nfs/dbraw/zinc/32/14/29/651321429.db2.gz GRSGTLYPGBDYRE-SOFGYWHQSA-N 1 0 306.406 2.205 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672879 651344671 /nfs/dbraw/zinc/34/46/71/651344671.db2.gz MGMJEZFKGRXBJS-MSOLQXFVSA-N 1 0 313.445 2.434 20 10 DECDRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(O)c1O ZINC000848352146 651454049 /nfs/dbraw/zinc/45/40/49/651454049.db2.gz LUGIZXYEBZGDON-KBPBESRZSA-N 1 0 304.390 2.153 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848426889 651458415 /nfs/dbraw/zinc/45/84/15/651458415.db2.gz QKIWHXIPTMTGRB-QFBILLFUSA-N 1 0 314.429 2.277 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c(Cl)c1 ZINC000848565975 651472192 /nfs/dbraw/zinc/47/21/92/651472192.db2.gz OMFNBRKJNJIHBU-SNVBAGLBSA-N 1 0 306.797 2.130 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848570928 651472692 /nfs/dbraw/zinc/47/26/92/651472692.db2.gz CQUJKDKATXTBLQ-PWSUYJOCSA-N 1 0 306.362 2.035 20 10 DECDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848603341 651477728 /nfs/dbraw/zinc/47/77/28/651477728.db2.gz PLLIHGOVQXJHHH-DLBZAZTESA-N 1 0 316.449 2.127 20 10 DECDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2OC)c(O)c1 ZINC000849095681 651600205 /nfs/dbraw/zinc/60/02/05/651600205.db2.gz JHFHENXHIODERN-UHFFFAOYSA-N 1 0 315.373 2.224 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(O)c1O ZINC000855809580 651785094 /nfs/dbraw/zinc/78/50/94/651785094.db2.gz HYPGUUORCFFQGX-GFCCVEGCSA-N 1 0 304.390 2.235 20 10 DECDRO CC[NH+]1CCC(NC(=O)CSc2ncc(Cl)s2)CC1 ZINC000849998871 651798604 /nfs/dbraw/zinc/79/86/04/651798604.db2.gz SXLHLVLQCVJBIT-UHFFFAOYSA-N 1 0 319.883 2.489 20 10 DECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000850034008 651809142 /nfs/dbraw/zinc/80/91/42/651809142.db2.gz FYKGQOJAXWCQQF-GJZGRUSLSA-N 1 0 308.397 2.319 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000850137769 651839902 /nfs/dbraw/zinc/83/99/02/651839902.db2.gz WBIZCZWUCJNBMT-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO COc1cc(C[NH2+]CCCn2ccnn2)c(O)c(C(C)(C)C)c1 ZINC000850245216 651875056 /nfs/dbraw/zinc/87/50/56/651875056.db2.gz GAZRMMOAAQNFLB-UHFFFAOYSA-N 1 0 318.421 2.470 20 10 DECDRO COc1cc(C[NH2+][C@]2(CCO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850280318 651885760 /nfs/dbraw/zinc/88/57/60/651885760.db2.gz NVVZWSCABVALOH-GOSISDBHSA-N 1 0 323.433 2.329 20 10 DECDRO CC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)NC ZINC000850321149 651897868 /nfs/dbraw/zinc/89/78/68/651897868.db2.gz PXQWSNJHFGTZHP-CQSZACIVSA-N 1 0 308.422 2.313 20 10 DECDRO COc1cc(C[NH2+]CC2(CC(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850328635 651899128 /nfs/dbraw/zinc/89/91/28/651899128.db2.gz VTJPQPBMFSKIBC-UHFFFAOYSA-N 1 0 320.433 2.444 20 10 DECDRO CCn1nccc1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346121 651904761 /nfs/dbraw/zinc/90/47/61/651904761.db2.gz CQEHECDHQDDHRK-CQSZACIVSA-N 1 0 300.406 2.280 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000850353959 651909239 /nfs/dbraw/zinc/90/92/39/651909239.db2.gz QYOZQTABVXTUHU-JLJPHGGASA-N 1 0 323.433 2.447 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1O ZINC000850353751 651909270 /nfs/dbraw/zinc/90/92/70/651909270.db2.gz LUQWWOGXZSKWKA-VNQPRFMTSA-N 1 0 323.433 2.447 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC3CCOCC3)cc2)CC1 ZINC000850405946 651921991 /nfs/dbraw/zinc/92/19/91/651921991.db2.gz LNNYNLIGTDBTOZ-UHFFFAOYSA-N 1 0 304.434 2.164 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000850401297 651922070 /nfs/dbraw/zinc/92/20/70/651922070.db2.gz WWUIVMDPDNLHIA-QGZVFWFLSA-N 1 0 309.406 2.058 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CN(C4CC4)C[C@H]3C)C2)cc1 ZINC000850489153 651938666 /nfs/dbraw/zinc/93/86/66/651938666.db2.gz RHZOPUATOTYWAP-VCBZYWHSSA-N 1 0 315.461 2.346 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000850566168 651953941 /nfs/dbraw/zinc/95/39/41/651953941.db2.gz KUUPTOJEICCMAV-GOEBONIOSA-N 1 0 304.434 2.162 20 10 DECDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850569087 651954885 /nfs/dbraw/zinc/95/48/85/651954885.db2.gz SVWPZBNBDNDDLT-OAHLLOKOSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)n1-c1ccccn1 ZINC000857009268 652026491 /nfs/dbraw/zinc/02/64/91/652026491.db2.gz XRTNOLRZPPZPDC-DNVCBOLYSA-N 1 0 324.428 2.443 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000851679541 652205649 /nfs/dbraw/zinc/20/56/49/652205649.db2.gz BQCLHUJRIXZEJZ-CYBMUJFWSA-N 1 0 317.389 2.305 20 10 DECDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000857931075 652208674 /nfs/dbraw/zinc/20/86/74/652208674.db2.gz UXLGOFBJLOCAAS-SYJIQKIWSA-N 1 0 322.412 2.399 20 10 DECDRO Cn1cc(/C=C\C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857930136 652208800 /nfs/dbraw/zinc/20/88/00/652208800.db2.gz FLKLAMGVZUHKBR-SDMNGIDPSA-N 1 0 324.428 2.343 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cn(C)cn3)CC2)cc1 ZINC000851733496 652220393 /nfs/dbraw/zinc/22/03/93/652220393.db2.gz XKRZLPYSLRGNRC-UHFFFAOYSA-N 1 0 300.406 2.141 20 10 DECDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858282008 652296012 /nfs/dbraw/zinc/29/60/12/652296012.db2.gz CFHURQWNPWAPLK-OIPACUDHSA-N 1 0 304.434 2.425 20 10 DECDRO C[C@H](Cc1ccco1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791767 652458074 /nfs/dbraw/zinc/45/80/74/652458074.db2.gz MAYZGXQGUYPDBF-DYVFJYSZSA-N 1 0 315.417 2.340 20 10 DECDRO Cc1cc(C(=O)N2CC3CC2(C[NH3+])C3)c(C)n1-c1ccccn1 ZINC000852859350 652471419 /nfs/dbraw/zinc/47/14/19/652471419.db2.gz SHUYDWHWITZQSB-UHFFFAOYSA-N 1 0 310.401 2.052 20 10 DECDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852884336 652474776 /nfs/dbraw/zinc/47/47/76/652474776.db2.gz IRJZKBXXZUTKMX-INIZCTEOSA-N 1 0 302.418 2.275 20 10 DECDRO CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1[O-] ZINC000854231223 652662664 /nfs/dbraw/zinc/66/26/64/652662664.db2.gz CQLQYCYNCDERMA-GFCCVEGCSA-N 1 0 322.796 2.241 20 10 DECDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000388353107 685428191 /nfs/dbraw/zinc/42/81/91/685428191.db2.gz PHHINOCFXVNCQQ-KSSFIOAISA-N 1 0 304.434 2.426 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000858602446 685567220 /nfs/dbraw/zinc/56/72/20/685567220.db2.gz ZOJSEBCUZRAQCX-AWEZNQCLSA-N 1 0 305.422 2.373 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000858763662 685593234 /nfs/dbraw/zinc/59/32/34/685593234.db2.gz CGLBNIMIIDUIKC-AWEZNQCLSA-N 1 0 305.422 2.232 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858768117 685594139 /nfs/dbraw/zinc/59/41/39/685594139.db2.gz IZWUTZDDJWHJPX-INIZCTEOSA-N 1 0 318.465 2.284 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCc2cn(C)nn2)cc1 ZINC000859060416 685646615 /nfs/dbraw/zinc/64/66/15/685646615.db2.gz RPFSSYWJMMKCPZ-UHFFFAOYSA-N 1 0 301.438 2.336 20 10 DECDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)C[NH+]1CCCC1 ZINC000080051404 683977978 /nfs/dbraw/zinc/97/79/78/683977978.db2.gz JWLNHLKSHNZBOV-AWEZNQCLSA-N 1 0 305.422 2.266 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000085405143 684009114 /nfs/dbraw/zinc/00/91/14/684009114.db2.gz WFDVDKBMQUXLAI-GFCCVEGCSA-N 1 0 323.437 2.176 20 10 DECDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000120856870 684102281 /nfs/dbraw/zinc/10/22/81/684102281.db2.gz ADIUKTRAYPYSPH-CYBMUJFWSA-N 1 0 314.385 2.368 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1F ZINC000123239360 684123196 /nfs/dbraw/zinc/12/31/96/684123196.db2.gz IKTLSNVCOPXPGM-HNNXBMFYSA-N 1 0 319.424 2.479 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000128125006 684168738 /nfs/dbraw/zinc/16/87/38/684168738.db2.gz XKSLLJPYGUJLSO-CYBMUJFWSA-N 1 0 301.390 2.313 20 10 DECDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130598793 684190572 /nfs/dbraw/zinc/19/05/72/684190572.db2.gz MZFQXEUKSTZLJV-ZWNOBZJWSA-N 1 0 305.330 2.316 20 10 DECDRO [NH3+]CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000178710559 684333807 /nfs/dbraw/zinc/33/38/07/684333807.db2.gz DGRLAUHRRCSJTF-UHFFFAOYSA-N 1 0 301.434 2.422 20 10 DECDRO Cc1cc(C)c(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000188849401 684365787 /nfs/dbraw/zinc/36/57/87/684365787.db2.gz GPUUFCOKQCQBEJ-HNNXBMFYSA-N 1 0 306.450 2.286 20 10 DECDRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(O)cc1C ZINC000245547983 685114264 /nfs/dbraw/zinc/11/42/64/685114264.db2.gz XECIJBBILWUWCS-CZUORRHYSA-N 1 0 309.431 2.416 20 10 DECDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000245823854 685118375 /nfs/dbraw/zinc/11/83/75/685118375.db2.gz NIOZQEUUTPVSAM-QWHCGFSZSA-N 1 0 323.437 2.491 20 10 DECDRO C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC000861556657 686145122 /nfs/dbraw/zinc/14/51/22/686145122.db2.gz DQEDDLZUQPNYAA-GOEBONIOSA-N 1 0 316.449 2.227 20 10 DECDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861570040 686147131 /nfs/dbraw/zinc/14/71/31/686147131.db2.gz GDOFEDIKQSGJKQ-INIZCTEOSA-N 1 0 322.428 2.031 20 10 DECDRO CNC(=O)CCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862249585 686265969 /nfs/dbraw/zinc/26/59/69/686265969.db2.gz VMSGQBGKNDLZQF-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862417551 686297172 /nfs/dbraw/zinc/29/71/72/686297172.db2.gz DQDXBKUYUWSUAW-KYZUINATSA-N 1 0 314.179 2.196 20 10 DECDRO CCOc1cccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000862431191 686300063 /nfs/dbraw/zinc/30/00/63/686300063.db2.gz FLOPQBZTEXLDMH-GOSISDBHSA-N 1 0 317.385 2.494 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000862551218 686321096 /nfs/dbraw/zinc/32/10/96/686321096.db2.gz JZTHZLOZQUQKGY-ZDUSSCGKSA-N 1 0 324.808 2.297 20 10 DECDRO COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863645703 686539344 /nfs/dbraw/zinc/53/93/44/686539344.db2.gz KVFNSTWJULFRKW-DGCLKSJQSA-N 1 0 318.339 2.360 20 10 DECDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)n1cncn1 ZINC000865682642 687300178 /nfs/dbraw/zinc/30/01/78/687300178.db2.gz IRLRJKXYLMVBDJ-CYBMUJFWSA-N 1 0 312.295 2.106 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000865682369 687300294 /nfs/dbraw/zinc/30/02/94/687300294.db2.gz DXGCJFYFWXLXOL-ZDUSSCGKSA-N 1 0 313.327 2.237 20 10 DECDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1cc(Cl)ccc1O ZINC000865684149 687300846 /nfs/dbraw/zinc/30/08/46/687300846.db2.gz ORNLRPHPYILQSH-UHFFFAOYSA-N 1 0 315.797 2.494 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2cccc(OCC)c2O)on1 ZINC000865764908 687327163 /nfs/dbraw/zinc/32/71/63/687327163.db2.gz QXLGKSPGRZOTSL-UHFFFAOYSA-N 1 0 320.345 2.245 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)CC2 ZINC000866437075 687572928 /nfs/dbraw/zinc/57/29/28/687572928.db2.gz XVCPYNQKAXZWHL-ZYHUDNBSSA-N 1 0 312.295 2.364 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368361 687603282 /nfs/dbraw/zinc/60/32/82/687603282.db2.gz PHBZEJWTINRYRW-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383839 687997479 /nfs/dbraw/zinc/99/74/79/687997479.db2.gz YREPPPJOYQKOOU-JHJVBQTASA-N 1 0 303.406 2.378 20 10 DECDRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000872198742 688949717 /nfs/dbraw/zinc/94/97/17/688949717.db2.gz ZNOAQDCLGPINPH-MOPGFXCFSA-N 1 0 318.461 2.288 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)O)cc1Cn1cccn1 ZINC000873035267 689145798 /nfs/dbraw/zinc/14/57/98/689145798.db2.gz HSRCOJVCEGNDPU-CYBMUJFWSA-N 1 0 303.406 2.189 20 10 DECDRO COc1ccc(C[NH2+]CC2(C)COC2)cc1Cn1cccn1 ZINC000873049752 689148832 /nfs/dbraw/zinc/14/88/32/689148832.db2.gz LILULNFFBBRWPI-UHFFFAOYSA-N 1 0 301.390 2.066 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)C(C)C)cc1Cn1cccn1 ZINC000873052142 689149157 /nfs/dbraw/zinc/14/91/57/689149157.db2.gz MPHZLIKIHKVKPQ-MRXNPFEDSA-N 1 0 303.406 2.047 20 10 DECDRO COc1ccc(C[NH2+]CC(C)(C)CCO)cc1Cn1cccn1 ZINC000873066309 689152729 /nfs/dbraw/zinc/15/27/29/689152729.db2.gz RXEZEJYOWXNMQW-UHFFFAOYSA-N 1 0 317.433 2.438 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1Cn1cccn1 ZINC000873114504 689160393 /nfs/dbraw/zinc/16/03/93/689160393.db2.gz ISJLCSQXCFKPIN-WMLDXEAASA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1Cn1cccn1 ZINC000873127066 689164532 /nfs/dbraw/zinc/16/45/32/689164532.db2.gz HMBQRVLMDYFAEH-GOSISDBHSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1Cn1cccn1 ZINC000873130074 689165874 /nfs/dbraw/zinc/16/58/74/689165874.db2.gz XPDCVERQZIMERQ-QGZVFWFLSA-N 1 0 315.417 2.455 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000874085332 689354808 /nfs/dbraw/zinc/35/48/08/689354808.db2.gz XOTRMKXVOPSZAC-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875373581 689615395 /nfs/dbraw/zinc/61/53/95/689615395.db2.gz VWHRQYAHCJJEMA-AWEZNQCLSA-N 1 0 303.406 2.292 20 10 DECDRO CCC[C@@H](OCC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505910 689841792 /nfs/dbraw/zinc/84/17/92/689841792.db2.gz CKWMPCSAINWZPY-JKSUJKDBSA-N 1 0 307.438 2.074 20 10 DECDRO O=C(NCCCSc1nccs1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876662045 689893126 /nfs/dbraw/zinc/89/31/26/689893126.db2.gz KUWHKJOXHOZDJE-RISCZKNCSA-N 1 0 311.476 2.274 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)OC)cc1C ZINC001034874961 689974751 /nfs/dbraw/zinc/97/47/51/689974751.db2.gz UXWLDHNCBWVHRA-GDBMZVCRSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876956513 689983028 /nfs/dbraw/zinc/98/30/28/689983028.db2.gz MLBJZNSKHSZJOY-UHFFFAOYSA-N 1 0 314.385 2.229 20 10 DECDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964536 689984040 /nfs/dbraw/zinc/98/40/40/689984040.db2.gz INJGATSXOSWXLP-INIZCTEOSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1ccc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000876986471 689990592 /nfs/dbraw/zinc/99/05/92/689990592.db2.gz DRSQOCZZKJTRKO-UHFFFAOYSA-N 1 0 319.426 2.405 20 10 DECDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000876989397 689991885 /nfs/dbraw/zinc/99/18/85/689991885.db2.gz VEGIXBAGKJQKSZ-GXTWGEPZSA-N 1 0 307.413 2.429 20 10 DECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877025192 690000764 /nfs/dbraw/zinc/00/07/64/690000764.db2.gz ZEQWHJYMDVTMAV-KSSFIOAISA-N 1 0 306.450 2.144 20 10 DECDRO CC(C)(CCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877064666 690011582 /nfs/dbraw/zinc/01/15/82/690011582.db2.gz SACWNHPANRXMTR-UHFFFAOYSA-N 1 0 306.450 2.146 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000877141685 690028218 /nfs/dbraw/zinc/02/82/18/690028218.db2.gz ZNMJDENIKCPFOM-AWEZNQCLSA-N 1 0 316.376 2.274 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)c(O)c1 ZINC000877310685 690073503 /nfs/dbraw/zinc/07/35/03/690073503.db2.gz PUYLNWQSBGWNHG-INIZCTEOSA-N 1 0 311.385 2.381 20 10 DECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877406589 690104053 /nfs/dbraw/zinc/10/40/53/690104053.db2.gz YKWFLTTVSWGGGD-WOMSROEHSA-N 1 0 304.434 2.064 20 10 DECDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1C ZINC000877533454 690143904 /nfs/dbraw/zinc/14/39/04/690143904.db2.gz OGDCHNAOVDABOZ-LLVKDONJSA-N 1 0 318.373 2.377 20 10 DECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877553484 690149774 /nfs/dbraw/zinc/14/97/74/690149774.db2.gz TYSAYSMZTIWYFP-BEFAXECRSA-N 1 0 318.461 2.288 20 10 DECDRO CC(C)(CO)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877560628 690152230 /nfs/dbraw/zinc/15/22/30/690152230.db2.gz WOBXWWSKNYELIO-UHFFFAOYSA-N 1 0 306.450 2.146 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000877675306 690186417 /nfs/dbraw/zinc/18/64/17/690186417.db2.gz QSGJLAGNDDLEEB-LBPRGKRZSA-N 1 0 300.284 2.185 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693876 690194183 /nfs/dbraw/zinc/19/41/83/690194183.db2.gz TUFGCLIVZSUOTH-WCQYABFASA-N 1 0 319.323 2.394 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877781691 690225792 /nfs/dbraw/zinc/22/57/92/690225792.db2.gz CPQDLRRBHYYIOG-UHFFFAOYSA-N 1 0 301.434 2.163 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CC(C)(C)O)cc1 ZINC000877921488 690260546 /nfs/dbraw/zinc/26/05/46/690260546.db2.gz IUPMEWQLVTZWCN-QGZVFWFLSA-N 1 0 308.466 2.487 20 10 DECDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036310432 690317677 /nfs/dbraw/zinc/31/76/77/690317677.db2.gz XKPRCTYARSSQBD-RISCZKNCSA-N 1 0 317.393 2.309 20 10 DECDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000879163167 690581914 /nfs/dbraw/zinc/58/19/14/690581914.db2.gz RKZQJQPTVXDRPN-SFHVURJKSA-N 1 0 306.450 2.472 20 10 DECDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000879335068 690621971 /nfs/dbraw/zinc/62/19/71/690621971.db2.gz PRPLEVMLSBVLMZ-MRXNPFEDSA-N 1 0 304.438 2.036 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)ccc1N(C)C ZINC000880585351 690934249 /nfs/dbraw/zinc/93/42/49/690934249.db2.gz QDMHVPULZNYECX-QGZVFWFLSA-N 1 0 318.461 2.424 20 10 DECDRO CCCSCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849172 691173277 /nfs/dbraw/zinc/17/32/77/691173277.db2.gz BIPXBXNCUZFJKV-UHFFFAOYSA-N 1 0 321.490 2.198 20 10 DECDRO C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881852395 691173832 /nfs/dbraw/zinc/17/38/32/691173832.db2.gz ONPHISRRUMURRO-DOTOQJQBSA-N 1 0 315.461 2.491 20 10 DECDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000882484164 691292448 /nfs/dbraw/zinc/29/24/48/691292448.db2.gz UVQRZFUOGBZSAS-HNNXBMFYSA-N 1 0 312.417 2.313 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCOC1 ZINC000883182048 691451110 /nfs/dbraw/zinc/45/11/10/691451110.db2.gz QMNWJMBOZGPVIF-HOCLYGCPSA-N 1 0 310.413 2.423 20 10 DECDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000883283789 691471828 /nfs/dbraw/zinc/47/18/28/691471828.db2.gz SYEUTMURCPXAMF-UHFFFAOYSA-N 1 0 314.433 2.333 20 10 DECDRO CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000883374195 691492599 /nfs/dbraw/zinc/49/25/99/691492599.db2.gz SNZRPOHWOZLOCZ-BPUTZDHNSA-N 1 0 310.463 2.369 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1F ZINC000884213995 691684104 /nfs/dbraw/zinc/68/41/04/691684104.db2.gz RAQNICVGJWWLRF-HNNXBMFYSA-N 1 0 307.413 2.416 20 10 DECDRO [NH3+][C@@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884304891 691705278 /nfs/dbraw/zinc/70/52/78/691705278.db2.gz FKYALSVELLWCIU-HOTGVXAUSA-N 1 0 318.417 2.027 20 10 DECDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncco1 ZINC000886274746 692042420 /nfs/dbraw/zinc/04/24/20/692042420.db2.gz ZWXAAWFEKHCAFJ-CQSZACIVSA-N 1 0 300.406 2.277 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1O ZINC000886334112 692059608 /nfs/dbraw/zinc/05/96/08/692059608.db2.gz RAYDQUKNFILJTC-JDFRZJQESA-N 1 0 307.390 2.217 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000886520548 692099999 /nfs/dbraw/zinc/09/99/99/692099999.db2.gz HFYXCGJQIALXKW-LBPRGKRZSA-N 1 0 301.346 2.000 20 10 DECDRO C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)CN1CC[NH+](C)CC1 ZINC000886522271 692100752 /nfs/dbraw/zinc/10/07/52/692100752.db2.gz GFFSPFVFDLDVMX-ZIAGYGMSSA-N 1 0 309.429 2.065 20 10 DECDRO C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665156 692756964 /nfs/dbraw/zinc/75/69/64/692756964.db2.gz HFVOBZBBZDKTQK-HUUCEWRRSA-N 1 0 316.449 2.131 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cnnn3C)CC2)cc1 ZINC000924908834 693200307 /nfs/dbraw/zinc/20/03/07/693200307.db2.gz ZDUAVHOZCAGUHE-CYBMUJFWSA-N 1 0 315.421 2.143 20 10 DECDRO CC1CCN(c2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925556862 693296851 /nfs/dbraw/zinc/29/68/51/693296851.db2.gz MSKCOWHZGSWYPC-QGZVFWFLSA-N 1 0 303.450 2.001 20 10 DECDRO OC1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000925715118 693328624 /nfs/dbraw/zinc/32/86/24/693328624.db2.gz DJKOSOBILHVLHQ-GOSISDBHSA-N 1 0 315.461 2.022 20 10 DECDRO CC(C)([NH3+])CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001332054890 1149814402 /nfs/dbraw/zinc/81/44/02/1149814402.db2.gz LTFIJOXNSBFEOY-UHFFFAOYSA-N 1 0 318.446 2.173 20 10 DECDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446055 1150742747 /nfs/dbraw/zinc/74/27/47/1150742747.db2.gz ZEHAQHOBGICHIF-TZMCWYRMSA-N 1 0 305.422 2.242 20 10 DECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001347201478 1151047946 /nfs/dbraw/zinc/04/79/46/1151047946.db2.gz SNWABETYSMGHNQ-IYBDPMFKSA-N 1 0 321.440 2.187 20 10 DECDRO CC[NH+](CC)CC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001348329858 1151145407 /nfs/dbraw/zinc/14/54/07/1151145407.db2.gz RLRHCJFLKNMKRG-JWJUJFCLSA-N 1 0 306.406 2.348 20 10 DECDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC001332697775 1149881136 /nfs/dbraw/zinc/88/11/36/1149881136.db2.gz MAVHSIXQJOOJQD-WMLDXEAASA-N 1 0 301.386 2.309 20 10 DECDRO COc1ccncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431404 777026186 /nfs/dbraw/zinc/02/61/86/777026186.db2.gz XYCHRXVUUZVORQ-UHFFFAOYSA-N 1 0 312.417 2.454 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)SC)cc1C ZINC001125878097 778213531 /nfs/dbraw/zinc/21/35/31/778213531.db2.gz LDJGOTWGTYGQQJ-ZDUSSCGKSA-N 1 0 310.463 2.351 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cc1OC ZINC001144509205 790940636 /nfs/dbraw/zinc/94/06/36/790940636.db2.gz OWVHUFYBOQMNIY-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(O)cc1O ZINC001144514922 790942139 /nfs/dbraw/zinc/94/21/39/790942139.db2.gz XUZAINLKKXPACE-UHFFFAOYSA-N 1 0 303.314 2.164 20 10 DECDRO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515992 790943706 /nfs/dbraw/zinc/94/37/06/790943706.db2.gz MBZOOZUVUMSMDM-CYBMUJFWSA-N 1 0 316.357 2.160 20 10 DECDRO CN1c2ccc(N3CCCc4ccc(C[NH3+])nc43)cc2CC1=O ZINC001169592301 785251828 /nfs/dbraw/zinc/25/18/28/785251828.db2.gz LWHLUGOCZSKTHN-UHFFFAOYSA-N 1 0 308.385 2.144 20 10 DECDRO CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001129881905 787253783 /nfs/dbraw/zinc/25/37/83/787253783.db2.gz PYOJXLOIQHLLDG-WBVHZDCISA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H](F)C2)cc1C ZINC001132943475 788235326 /nfs/dbraw/zinc/23/53/26/788235326.db2.gz JVDACNAVNYQCBN-HUUCEWRRSA-N 1 0 308.397 2.348 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)[C@@H]2CCCO2)cc1C ZINC001133523457 788463502 /nfs/dbraw/zinc/46/35/02/788463502.db2.gz BZCCMOMAZLERBW-PBHICJAKSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001135667886 789441453 /nfs/dbraw/zinc/44/14/53/789441453.db2.gz CLVHVCWBKDQQKT-UHFFFAOYSA-N 1 0 318.373 2.125 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NCCC[NH+]1CCCCCC1 ZINC001135928918 789562762 /nfs/dbraw/zinc/56/27/62/789562762.db2.gz KEPBFJSQEKRHPJ-UHFFFAOYSA-N 1 0 306.406 2.023 20 10 DECDRO C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663103 791328273 /nfs/dbraw/zinc/32/82/73/791328273.db2.gz KPBOJUZVYIFTTC-WDEREUQCSA-N 1 0 323.372 2.305 20 10 DECDRO O=C(c1cccc(O)c1O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001148214165 791711261 /nfs/dbraw/zinc/71/12/61/791711261.db2.gz PATZUSHQSGMMMC-ZDUSSCGKSA-N 1 0 304.390 2.188 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3c(F)cccc3C2)cc1O ZINC001171393391 792225319 /nfs/dbraw/zinc/22/53/19/792225319.db2.gz OXNMUGNDIQXKIQ-SCLBCKFNSA-N 1 0 317.360 2.417 20 10 DECDRO COc1cccc2c1C[C@H]([NH2+]CCc1ccc(O)c(O)c1)CO2 ZINC001173154586 793609765 /nfs/dbraw/zinc/60/97/65/793609765.db2.gz VTSUWVVQYXLBSH-ZDUSSCGKSA-N 1 0 315.369 2.242 20 10 DECDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)c(O)c1OC ZINC001206262867 794354892 /nfs/dbraw/zinc/35/48/92/794354892.db2.gz DDKABUQXTQCBOR-QWHCGFSZSA-N 1 0 307.390 2.266 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)CN2CCCC2=O)ccc1OC ZINC001177437259 794677083 /nfs/dbraw/zinc/67/70/83/794677083.db2.gz NLXOGGFCGYHOIB-CQSZACIVSA-N 1 0 320.433 2.332 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCCS(C)(=O)=O)cc1F ZINC001177724776 794729266 /nfs/dbraw/zinc/72/92/66/794729266.db2.gz LFYFFKMPTJKGFN-UHFFFAOYSA-N 1 0 316.442 2.196 20 10 DECDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177698196 794731201 /nfs/dbraw/zinc/73/12/01/794731201.db2.gz RESWGAKNAQSDSV-MRXNPFEDSA-N 1 0 303.450 2.097 20 10 DECDRO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001116653376 794977242 /nfs/dbraw/zinc/97/72/42/794977242.db2.gz ZOMNCLCQOFXODL-UHFFFAOYSA-N 1 0 310.401 2.341 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001116761642 794984276 /nfs/dbraw/zinc/98/42/76/794984276.db2.gz KXWPYUPFMYYGNI-RBSFLKMASA-N 1 0 323.433 2.253 20 10 DECDRO C[C@@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+](C)C ZINC001118591338 795203559 /nfs/dbraw/zinc/20/35/59/795203559.db2.gz BNRYQIOJUOGEHJ-AWEZNQCLSA-N 1 0 318.465 2.208 20 10 DECDRO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204279076 795363972 /nfs/dbraw/zinc/36/39/72/795363972.db2.gz PPWKIXDEVDKZQJ-UHFFFAOYSA-N 1 0 316.357 2.039 20 10 DECDRO Cc1cnc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)s1 ZINC001204279167 795366867 /nfs/dbraw/zinc/36/68/67/795366867.db2.gz RZTPQXSNUSSJGK-UHFFFAOYSA-N 1 0 305.403 2.185 20 10 DECDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001180977417 795400934 /nfs/dbraw/zinc/40/09/34/795400934.db2.gz OSYXNTDCJJXFRB-AEFFLSMTSA-N 1 0 323.433 2.426 20 10 DECDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001120476684 795469358 /nfs/dbraw/zinc/46/93/58/795469358.db2.gz WCDZFHFHKJPCOQ-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO COC(=O)CCCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001181543294 795491694 /nfs/dbraw/zinc/49/16/94/795491694.db2.gz CGANNZOYJHSTPL-UHFFFAOYSA-N 1 0 311.378 2.232 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(N)cc3)C[C@@H]2C1 ZINC001120677012 795511035 /nfs/dbraw/zinc/51/10/35/795511035.db2.gz HUJDINPCTYFXNZ-HLLBOEOZSA-N 1 0 316.449 2.141 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC001182030940 795588717 /nfs/dbraw/zinc/58/87/17/795588717.db2.gz FDJDNWCUGDDXJN-ZDUSSCGKSA-N 1 0 311.447 2.382 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204324967 795620925 /nfs/dbraw/zinc/62/09/25/795620925.db2.gz PUCDXXUBKBIQJZ-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO Cc1ncsc1/C=C\C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001122095580 795725487 /nfs/dbraw/zinc/72/54/87/795725487.db2.gz HDOGFEXPLMBDHN-PLNGDYQASA-N 1 0 315.398 2.349 20 10 DECDRO COC(=O)[C@]1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC001184411078 796060145 /nfs/dbraw/zinc/06/01/45/796060145.db2.gz QYSCJXFUYUSZBN-HNNXBMFYSA-N 1 0 313.781 2.023 20 10 DECDRO Cc1c(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c2ccccc2n1C ZINC001138258647 796189236 /nfs/dbraw/zinc/18/92/36/796189236.db2.gz XMFRKBOVSCAZMK-UHFFFAOYSA-N 1 0 324.384 2.246 20 10 DECDRO Cc1c(CN2CCOC[C@H]2C[NH+](C)C)c2ccccc2n1C ZINC001138258644 796189432 /nfs/dbraw/zinc/18/94/32/796189432.db2.gz XLOVZHCDLMTONO-OAHLLOKOSA-N 1 0 301.434 2.249 20 10 DECDRO COC(C[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2)OC ZINC001138340243 796199806 /nfs/dbraw/zinc/19/98/06/796199806.db2.gz QKZHFBPBROCUOQ-UHFFFAOYSA-N 1 0 320.433 2.142 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H](F)C[C@H]2CO)c(OC)c1 ZINC001138386577 796209175 /nfs/dbraw/zinc/20/91/75/796209175.db2.gz RXLLSOLCSULMIW-ZBFHGGJFSA-N 1 0 310.413 2.446 20 10 DECDRO COc1cc(CN2C[C@@H](C)OC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139259350 796351407 /nfs/dbraw/zinc/35/14/07/796351407.db2.gz SFDWHJQCXIZFEI-CHWSQXEVSA-N 1 0 308.422 2.072 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCO4)C3)cc2)CC1 ZINC001139412442 796372281 /nfs/dbraw/zinc/37/22/81/796372281.db2.gz LKUDETZEEAWVKC-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO Cc1cc(CN2CC[NH+](CCC(C)(C)O)CC2)ccc1N(C)C ZINC001139673796 796408215 /nfs/dbraw/zinc/40/82/15/796408215.db2.gz JVPATLWVRPIGPU-UHFFFAOYSA-N 1 0 319.493 2.340 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001140283600 796501545 /nfs/dbraw/zinc/50/15/45/796501545.db2.gz XOCCLDQFWYVYNM-QZTJIDSGSA-N 1 0 302.418 2.011 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3Cc4cncnc4C3)cc2)CC1 ZINC001140302732 796503845 /nfs/dbraw/zinc/50/38/45/796503845.db2.gz YVGWVSPPHVZXIQ-UHFFFAOYSA-N 1 0 323.444 2.134 20 10 DECDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140585237 796541649 /nfs/dbraw/zinc/54/16/49/796541649.db2.gz AOYZIUUFUWMUQV-NSHDSACASA-N 1 0 307.300 2.114 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(CCc3ccccn3)CC2)c1 ZINC001140621119 796547003 /nfs/dbraw/zinc/54/70/03/796547003.db2.gz PMJYGFYSNAHORH-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO Cc1ccc(O)c(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC001140621593 796547074 /nfs/dbraw/zinc/54/70/74/796547074.db2.gz LYNGAYDAVAOVTO-HOTGVXAUSA-N 1 0 310.401 2.059 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001140663390 796553620 /nfs/dbraw/zinc/55/36/20/796553620.db2.gz CLWYNDKFJKOCLW-SFHVURJKSA-N 1 0 320.408 2.417 20 10 DECDRO C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1(C)C ZINC001140664122 796553695 /nfs/dbraw/zinc/55/36/95/796553695.db2.gz ZJIKZOLBVFNRDY-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c1O ZINC001140747884 796567605 /nfs/dbraw/zinc/56/76/05/796567605.db2.gz CAWLPSKJUNDNSO-AWEZNQCLSA-N 1 0 318.417 2.097 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c1O ZINC001140749873 796567692 /nfs/dbraw/zinc/56/76/92/796567692.db2.gz OTSDLQNERVCMIU-CQSZACIVSA-N 1 0 315.373 2.240 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCN(CCF)CC2)c(O)c1 ZINC001140855631 796583955 /nfs/dbraw/zinc/58/39/55/796583955.db2.gz GIZBQJLJTHYRBY-UHFFFAOYSA-N 1 0 309.429 2.326 20 10 DECDRO CN(C)C(=O)CC[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077997 796632673 /nfs/dbraw/zinc/63/26/73/796632673.db2.gz IEPMPDCYRNDJAX-UHFFFAOYSA-N 1 0 315.461 2.296 20 10 DECDRO CN1CCOc2cc(CN3CC[NH+](C4CCC4)CC3)ccc21 ZINC001141139769 796638028 /nfs/dbraw/zinc/63/80/28/796638028.db2.gz BGAMRMTYFWQJFS-UHFFFAOYSA-N 1 0 301.434 2.185 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)C4(F)F)ccc21 ZINC001141144134 796638661 /nfs/dbraw/zinc/63/86/61/796638661.db2.gz AIMTUBCOZSQQRE-OKILXGFUSA-N 1 0 324.371 2.229 20 10 DECDRO CN1CCOc2cc(CN3CC[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC001141142835 796639174 /nfs/dbraw/zinc/63/91/74/796639174.db2.gz CAABPPIJIKURHA-MRXNPFEDSA-N 1 0 301.434 2.185 20 10 DECDRO CN1CCOc2cc(C[N@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)ccc21 ZINC001141146315 796640092 /nfs/dbraw/zinc/64/00/92/796640092.db2.gz SATZIVNSKCDZNX-CABCVRRESA-N 1 0 300.402 2.316 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141155894 796641102 /nfs/dbraw/zinc/64/11/02/796641102.db2.gz NQYKXPLZUYTTJP-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158464 796641828 /nfs/dbraw/zinc/64/18/28/796641828.db2.gz ALUJRURRDQVYLU-GOSISDBHSA-N 1 0 318.417 2.465 20 10 DECDRO CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001141159106 796642545 /nfs/dbraw/zinc/64/25/45/796642545.db2.gz ZITOCJAMJHPSOU-IBGZPJMESA-N 1 0 324.380 2.218 20 10 DECDRO COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(O)ccc1O ZINC001141160662 796642610 /nfs/dbraw/zinc/64/26/10/796642610.db2.gz GTTBSTVYDOXVLG-INIZCTEOSA-N 1 0 315.369 2.314 20 10 DECDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)nc1 ZINC001141163314 796644331 /nfs/dbraw/zinc/64/43/31/796644331.db2.gz ZMBKYPMOENBTCJ-OAHLLOKOSA-N 1 0 316.357 2.155 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000840722739 796703864 /nfs/dbraw/zinc/70/38/64/796703864.db2.gz KRABWVDRACTWDO-CKEIUWERSA-N 1 0 322.474 2.056 20 10 DECDRO CC[C@H](C)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037306 797274250 /nfs/dbraw/zinc/27/42/50/797274250.db2.gz LFSBDKKXHZAWLR-NSHDSACASA-N 1 0 305.382 2.215 20 10 DECDRO CCC[NH+]1C[C@@H]2CN(C(=O)c3cc(O)c([O-])c(Cl)c3)C[C@H]2C1 ZINC001193611338 797592256 /nfs/dbraw/zinc/59/22/56/797592256.db2.gz CQDSJHBCIDDNDD-VXGBXAGGSA-N 1 0 324.808 2.165 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cc4c(nn3)CCC4)cc2)CC1 ZINC001156659710 798055753 /nfs/dbraw/zinc/05/57/53/798055753.db2.gz OIFLWGGJXUWIKE-UHFFFAOYSA-N 1 0 323.444 2.329 20 10 DECDRO CC[C@H](C)OCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001156711039 798068017 /nfs/dbraw/zinc/06/80/17/798068017.db2.gz ROGKNCUOECUTQQ-HNNXBMFYSA-N 1 0 322.449 2.415 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2coc(C)n2)cc1C ZINC001157025422 798129713 /nfs/dbraw/zinc/12/97/13/798129713.db2.gz IBAUOCKKWPZCPD-UHFFFAOYSA-N 1 0 317.389 2.210 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001157433684 798205274 /nfs/dbraw/zinc/20/52/74/798205274.db2.gz KOEHQRUFVLNNPD-RBOXIYTFSA-N 1 0 302.418 2.486 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC001199720938 798526401 /nfs/dbraw/zinc/52/64/01/798526401.db2.gz CAHKMUPYLKMBEP-UKRRQHHQSA-N 1 0 322.424 2.444 20 10 DECDRO [NH3+][C@@H]1Cc2ccccc2N(c2cnc3c(c2)C2(CC2)C(=O)N3)C1 ZINC001162854232 799189830 /nfs/dbraw/zinc/18/98/30/799189830.db2.gz NHIFDQNFLKVJPN-GFCCVEGCSA-N 1 0 306.369 2.087 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)[C@H]2CCCOC2)c1 ZINC000886360674 799395575 /nfs/dbraw/zinc/39/55/75/799395575.db2.gz ZKYDFFSYNQDKEE-XJKSGUPXSA-N 1 0 309.406 2.322 20 10 DECDRO COc1cccc(C[NH+]2CCC(Oc3ccncn3)CC2)c1O ZINC001203601683 800088357 /nfs/dbraw/zinc/08/83/57/800088357.db2.gz GZBLIKZOQWWIJY-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC001203616996 800091232 /nfs/dbraw/zinc/09/12/32/800091232.db2.gz FNTMUUNIBILPQB-HNNXBMFYSA-N 1 0 320.433 2.481 20 10 DECDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203622962 800092468 /nfs/dbraw/zinc/09/24/68/800092468.db2.gz HBUYXTWEZAGMKC-ZWKOTPCHSA-N 1 0 321.417 2.418 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC001203622762 800092527 /nfs/dbraw/zinc/09/25/27/800092527.db2.gz BLOLUVGATPJBGP-LJQANCHMSA-N 1 0 324.380 2.497 20 10 DECDRO CC[C@@H]1[N@H+](Cc2ccc(OC)cc2O)CCC[C@]12CCC(=O)N2 ZINC001203623963 800093146 /nfs/dbraw/zinc/09/31/46/800093146.db2.gz ZGCIWQQHKTUXQU-WMZOPIPTSA-N 1 0 318.417 2.424 20 10 DECDRO COc1ccc(C[NH+]2CCC(c3nnc(C)o3)CC2)c(O)c1 ZINC001203628867 800094752 /nfs/dbraw/zinc/09/47/52/800094752.db2.gz IWDAIOOPXJSIEK-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001203635195 800097004 /nfs/dbraw/zinc/09/70/04/800097004.db2.gz OEXRPKYLGYZLQI-OAHLLOKOSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccc(O)c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001203672709 800103588 /nfs/dbraw/zinc/10/35/88/800103588.db2.gz BWZIMASXGRNDSV-UHFFFAOYSA-N 1 0 302.418 2.319 20 10 DECDRO COc1ccc(O)c(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c1 ZINC001203681048 800104991 /nfs/dbraw/zinc/10/49/91/800104991.db2.gz MVTLNARBMUVJKN-OAHLLOKOSA-N 1 0 306.406 2.232 20 10 DECDRO CC[C@@H]1[N@H+](Cc2ccc(O)c(O)c2)CCC[C@]12CCC(=O)N2 ZINC001203877123 800138802 /nfs/dbraw/zinc/13/88/02/800138802.db2.gz MJZJYNJIMPNRJZ-RDJZCZTQSA-N 1 0 304.390 2.121 20 10 DECDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203935728 800148838 /nfs/dbraw/zinc/14/88/38/800148838.db2.gz BMHWAUIKGKBKMR-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)cc1 ZINC001203937398 800149222 /nfs/dbraw/zinc/14/92/22/800149222.db2.gz PVNIAJJIOVOVCP-UHFFFAOYSA-N 1 0 301.434 2.197 20 10 DECDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275279 800198205 /nfs/dbraw/zinc/19/82/05/800198205.db2.gz NRVPHSQCHBAKIC-KRWDZBQOSA-N 1 0 304.390 2.075 20 10 DECDRO Oc1ccc(CN2CCO[C@@H](COc3ccccc3)C2)c(O)c1 ZINC001204281891 800200066 /nfs/dbraw/zinc/20/00/66/800200066.db2.gz ZECFCPVLPIWXTG-QGZVFWFLSA-N 1 0 315.369 2.378 20 10 DECDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)nc1 ZINC001204278229 800200210 /nfs/dbraw/zinc/20/02/10/800200210.db2.gz ZCPVTGBZAICXJM-HNNXBMFYSA-N 1 0 300.358 2.455 20 10 DECDRO Oc1ccc(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278571 800200371 /nfs/dbraw/zinc/20/03/71/800200371.db2.gz FWQVPUOWYHRUES-UHFFFAOYSA-N 1 0 310.397 2.416 20 10 DECDRO COc1cc(Br)cc(CN2CC[C@](C)([NH3+])C2)c1O ZINC001204770522 800255470 /nfs/dbraw/zinc/25/54/70/800255470.db2.gz GBALHFVSIQSQBC-ZDUSSCGKSA-N 1 0 315.211 2.086 20 10 DECDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816273 800426573 /nfs/dbraw/zinc/42/65/73/800426573.db2.gz KYEJIMAZAMMOGY-CRAIPNDOSA-N 1 0 303.450 2.082 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH2+]C2(CC(N)=O)CCCCC2)c1O ZINC000934824316 800467393 /nfs/dbraw/zinc/46/73/93/800467393.db2.gz XOBPTVSCRYTZOB-UHFFFAOYSA-N 1 0 322.380 2.402 20 10 DECDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(Br)ccc2O)C1 ZINC001206405159 800526524 /nfs/dbraw/zinc/52/65/24/800526524.db2.gz OUTNBRDYPAHBSA-QWRGUYRKSA-N 1 0 303.175 2.026 20 10 DECDRO CCOc1ccc(N2CCN(Cc3c[nH+]ccc3N)CC2)cc1 ZINC001209733160 801266780 /nfs/dbraw/zinc/26/67/80/801266780.db2.gz PUKSJKZJWXDJNN-UHFFFAOYSA-N 1 0 312.417 2.215 20 10 DECDRO COc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)c(O)c1 ZINC000091837212 801570546 /nfs/dbraw/zinc/57/05/46/801570546.db2.gz ZZMYKGGQUMMJMZ-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cccc(C)c2O)C1 ZINC001231593338 801692294 /nfs/dbraw/zinc/69/22/94/801692294.db2.gz URHXQNGXVRRRBC-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO COc1cc(C[N@@H+]2CCc3c(O)cccc3C2)c(O)cc1O ZINC001231633908 801700926 /nfs/dbraw/zinc/70/09/26/801700926.db2.gz CWLKTDALPMOQOX-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO COc1cc(C[NH+]2CCC(c3nnc(C)o3)CC2)c(O)cc1O ZINC001231639024 801701752 /nfs/dbraw/zinc/70/17/52/801701752.db2.gz KDAIMUIWEFLXOD-UHFFFAOYSA-N 1 0 319.361 2.177 20 10 DECDRO Cc1cc(C)c(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001231844505 801736062 /nfs/dbraw/zinc/73/60/62/801736062.db2.gz KNCIQHZBVOZLTE-HZPDHXFCSA-N 1 0 324.428 2.367 20 10 DECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231856280 801738987 /nfs/dbraw/zinc/73/89/87/801738987.db2.gz LVMFNVRPNTUGJB-QGZVFWFLSA-N 1 0 306.406 2.146 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1O ZINC001232195700 801814571 /nfs/dbraw/zinc/81/45/71/801814571.db2.gz XWGAVWYCGAYUHQ-DYVFJYSZSA-N 1 0 324.852 2.379 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC001232266969 801832560 /nfs/dbraw/zinc/83/25/60/801832560.db2.gz GMTUKKUYHIHVEB-LLVKDONJSA-N 1 0 308.769 2.180 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@](C)(CO)C2)c2ccccc2n1C ZINC001232402368 801870928 /nfs/dbraw/zinc/87/09/28/801870928.db2.gz MFHZUNSJTXZGEG-GOSISDBHSA-N 1 0 316.401 2.169 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001232834681 801968290 /nfs/dbraw/zinc/96/82/90/801968290.db2.gz JKVFDSKAWLCGTA-UHFFFAOYSA-N 1 0 312.417 2.175 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001232840853 801969266 /nfs/dbraw/zinc/96/92/66/801969266.db2.gz MIXVAHKPYYLQOL-HNNXBMFYSA-N 1 0 312.360 2.458 20 10 DECDRO CCOC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079810 802022516 /nfs/dbraw/zinc/02/25/16/802022516.db2.gz LDFOWQNSIUQSLS-UHFFFAOYSA-N 1 0 314.332 2.381 20 10 DECDRO C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(O)c(O)cc1O ZINC001233485785 802127601 /nfs/dbraw/zinc/12/76/01/802127601.db2.gz KOFISZOMQRBICJ-UHFFFAOYSA-N 1 0 316.357 2.293 20 10 DECDRO COc1ccccc1CC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233485657 802127682 /nfs/dbraw/zinc/12/76/82/802127682.db2.gz FZYOKQZHDORIHV-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO COc1ccc2c(c1O[C@@H]1C[NH2+][C@H]1C)C(=O)c1ccccc1C2=O ZINC001218387544 802176744 /nfs/dbraw/zinc/17/67/44/802176744.db2.gz QECDPNVZMYEUFY-ZUZCIYMTSA-N 1 0 323.348 2.210 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cccc1OC(F)(F)F ZINC001233727758 802190873 /nfs/dbraw/zinc/19/08/73/802190873.db2.gz PHDWTIBLGQBANL-NXEZZACHSA-N 1 0 309.259 2.196 20 10 DECDRO C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000316016726 802495839 /nfs/dbraw/zinc/49/58/39/802495839.db2.gz CAIHHDQHRPDSIB-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001331287472 1149411481 /nfs/dbraw/zinc/41/14/81/1149411481.db2.gz HZQZLJLNIUJJAR-WKILWMFISA-N 1 0 321.440 2.092 20 10 DECDRO CCOc1ccc(N2CC[NH+](CC3(C(=O)OC)CC3)CC2)cc1 ZINC001344125274 1150798144 /nfs/dbraw/zinc/79/81/44/1150798144.db2.gz RNWJWYWWYTZETK-UHFFFAOYSA-N 1 0 318.417 2.161 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001453642341 1057334075 /nfs/dbraw/zinc/33/40/75/1057334075.db2.gz OSNKDGCHPGCCMM-AWEZNQCLSA-N 1 0 318.417 2.164 20 10 DECDRO C[C@@H]1COCCN1CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001459355492 1058151321 /nfs/dbraw/zinc/15/13/21/1058151321.db2.gz YWWMEUNSJYJKQT-MRXNPFEDSA-N 1 0 317.477 2.438 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CC(OC)C1 ZINC001462375821 1058810841 /nfs/dbraw/zinc/81/08/41/1058810841.db2.gz VVGWVVPKZXFROB-UHFFFAOYSA-N 1 0 307.390 2.182 20 10 DECDRO CCn1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001474205522 1060830740 /nfs/dbraw/zinc/83/07/40/1060830740.db2.gz GZVNCKQBBXGNAU-HNNXBMFYSA-N 1 0 300.406 2.280 20 10 DECDRO COc1cc(C)c(CNc2cnn(CC[NH+](C)C)c2)c(O)c1 ZINC001474602678 1060903526 /nfs/dbraw/zinc/90/35/26/1060903526.db2.gz ZJKCAKFZAYCPIB-UHFFFAOYSA-N 1 0 304.394 2.079 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CN(C)CCN2C)c(Cl)c1 ZINC001474717165 1060923744 /nfs/dbraw/zinc/92/37/44/1060923744.db2.gz YDCTUXKLOJUCDI-IUODEOHRSA-N 1 0 311.857 2.078 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCOC2)cc1C ZINC001480751363 1063295207 /nfs/dbraw/zinc/29/52/07/1063295207.db2.gz CREKQYGLTTUZJZ-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO CN(CC[NH2+]C/C=C/Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493810127 1063970902 /nfs/dbraw/zinc/97/09/02/1063970902.db2.gz NRILSRUWWICUJH-BVHCNOTJSA-N 1 0 323.784 2.263 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001621064320 1078168720 /nfs/dbraw/zinc/16/87/20/1078168720.db2.gz ZQCABKUEFZYYKL-LBTNJELSSA-N 1 0 300.402 2.380 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CC2)OCCCO3)c(O)c1 ZINC001621354930 1078172760 /nfs/dbraw/zinc/17/27/60/1078172760.db2.gz IGCPSTBSJZVQTC-UHFFFAOYSA-N 1 0 307.390 2.438 20 10 DECDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001649186080 1078185458 /nfs/dbraw/zinc/18/54/58/1078185458.db2.gz ANJIWHPIDGOMFS-UHFFFAOYSA-N 1 0 324.380 2.137 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575545637 1066344848 /nfs/dbraw/zinc/34/48/48/1066344848.db2.gz POJWZKITVMZLLS-JTQLQIEISA-N 1 0 308.403 2.416 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CCCC2)cc1F ZINC001631437953 1078364651 /nfs/dbraw/zinc/36/46/51/1078364651.db2.gz IOCQBFPWCFGHEB-UHFFFAOYSA-N 1 0 307.413 2.382 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1C1CC1 ZINC001631593728 1078368275 /nfs/dbraw/zinc/36/82/75/1078368275.db2.gz RBQSJPVMEMZSTH-MFKMUULPSA-N 1 0 315.377 2.204 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1CCO[C@H](C)C1 ZINC001620780604 1066671295 /nfs/dbraw/zinc/67/12/95/1066671295.db2.gz UAHSOKSMVAPXAZ-CQSZACIVSA-N 1 0 301.434 2.297 20 10 DECDRO CCOC(=O)c1cccc(N(CC)C(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC001578061252 1066973159 /nfs/dbraw/zinc/97/31/59/1066973159.db2.gz VXJGGZATLWDFNW-CQSZACIVSA-N 1 0 302.374 2.264 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001578427657 1067098548 /nfs/dbraw/zinc/09/85/48/1067098548.db2.gz YDXQCWQUAWJXTD-LSDHHAIUSA-N 1 0 315.417 2.009 20 10 DECDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001579377641 1067319327 /nfs/dbraw/zinc/31/93/27/1067319327.db2.gz MEJBEFNFKWGNKZ-INIZCTEOSA-N 1 0 321.490 2.326 20 10 DECDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385576 1078845325 /nfs/dbraw/zinc/84/53/25/1078845325.db2.gz CJVGEUQOXNRUOH-APHBMKBZSA-N 1 0 318.417 2.462 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC001543894875 1072510445 /nfs/dbraw/zinc/51/04/45/1072510445.db2.gz GWXNKTHYADRCCV-UHFFFAOYSA-N 1 0 303.366 2.065 20 10 DECDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001560392753 1075139067 /nfs/dbraw/zinc/13/90/67/1075139067.db2.gz AAVJMQQAZCLAHD-UHFFFAOYSA-N 1 0 310.401 2.071 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001560961638 1075148312 /nfs/dbraw/zinc/14/83/12/1075148312.db2.gz RYZMMJYVAJZTJC-GXFFZTMASA-N 1 0 319.323 2.312 20 10 DECDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001566360107 1075241298 /nfs/dbraw/zinc/24/12/98/1075241298.db2.gz YPTVTYZSXRNFNN-ZDUSSCGKSA-N 1 0 304.434 2.475 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001580711582 1075980797 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COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC001657886055 1080188260 /nfs/dbraw/zinc/18/82/60/1080188260.db2.gz KBABYENOSFQDSN-CXAGYDPISA-N 1 0 307.390 2.089 20 10 DECDRO COC1(OC)CCOC[C@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC001657907329 1080189668 /nfs/dbraw/zinc/18/96/68/1080189668.db2.gz ZXDDGEABIBQMIE-QGZVFWFLSA-N 1 0 318.417 2.354 20 10 DECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC001658826945 1080220019 /nfs/dbraw/zinc/22/00/19/1080220019.db2.gz AOODAUCLHUCJBZ-ZDUSSCGKSA-N 1 0 310.825 2.200 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCN(C)C2)N(C)C)cc1 ZINC001659060538 1080228184 /nfs/dbraw/zinc/22/81/84/1080228184.db2.gz QWUOHDCCWPIQTQ-FUHWJXTLSA-N 1 0 304.482 2.039 20 10 DECDRO COC(=O)C1CC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001660090808 1080263889 /nfs/dbraw/zinc/26/38/89/1080263889.db2.gz PFHLZZGAYMCKII-NFOMZHRRSA-N 1 0 318.417 2.063 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)c1O ZINC001660250276 1080294031 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DECDRO COCC1C[NH+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236930277 1138459844 /nfs/dbraw/zinc/45/98/44/1138459844.db2.gz ZEMXYKHHBGNTFB-UHFFFAOYSA-N 1 0 310.825 2.255 20 10 DECDRO COCCCN(Cc1ccc2c(c1)CCCN2C)[C@H]1CC[NH2+]C1 ZINC001236946359 1138463790 /nfs/dbraw/zinc/46/37/90/1138463790.db2.gz MEPCFOPDZMGMAU-SFHVURJKSA-N 1 0 317.477 2.269 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001237058828 1138493260 /nfs/dbraw/zinc/49/32/60/1138493260.db2.gz LDDUQVOTXONZPZ-TXEJJXNPSA-N 1 0 303.280 2.306 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(O)CC2)c(Br)c1 ZINC001237064085 1138496260 /nfs/dbraw/zinc/49/62/60/1138496260.db2.gz WODKDJNYSDNIJG-UHFFFAOYSA-N 1 0 316.195 2.120 20 10 DECDRO CC[NH2+]CCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237206393 1138533819 /nfs/dbraw/zinc/53/38/19/1138533819.db2.gz ULUSZCFHSWBXPL-UHFFFAOYSA-N 1 0 317.355 2.317 20 10 DECDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237212180 1138534542 /nfs/dbraw/zinc/53/45/42/1138534542.db2.gz KWFZVDOPDMNKML-INIZCTEOSA-N 1 0 322.474 2.296 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)[C@H]1C ZINC001237678425 1138754112 /nfs/dbraw/zinc/75/41/12/1138754112.db2.gz OCCMVWZEHOSEDQ-FZMZJTMJSA-N 1 0 323.389 2.183 20 10 DECDRO CC[NH+](CC)CCn1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001239216814 1138990612 /nfs/dbraw/zinc/99/06/12/1138990612.db2.gz QEWZENDMDDTHNZ-UHFFFAOYSA-N 1 0 314.433 2.464 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001294936028 1139308738 /nfs/dbraw/zinc/30/87/38/1139308738.db2.gz CCXLJRHMUZPYHV-XQQFMLRXSA-N 1 0 306.406 2.308 20 10 DECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318448164 1140333417 /nfs/dbraw/zinc/33/34/17/1140333417.db2.gz LKIAWRHRHWVWCP-SFHVURJKSA-N 1 0 323.456 2.218 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001319703095 1140674593 /nfs/dbraw/zinc/67/45/93/1140674593.db2.gz YBKAUXMBILJDFD-HNNXBMFYSA-N 1 0 301.434 2.243 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC001319815027 1140734428 /nfs/dbraw/zinc/73/44/28/1140734428.db2.gz NIQJEQMHGHNZEX-ZDUSSCGKSA-N 1 0 318.417 2.282 20 10 DECDRO CCOC(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320818875 1140937434 /nfs/dbraw/zinc/93/74/34/1140937434.db2.gz IMPYKLIVPNSFQT-UHFFFAOYSA-N 1 0 323.456 2.482 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCc3ccnc(N(C)C)c3C2)c1 ZINC001474754077 1141053649 /nfs/dbraw/zinc/05/36/49/1141053649.db2.gz MUNWQNFQFGIKFG-UHFFFAOYSA-N 1 0 313.401 2.420 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccncc2)cc1C ZINC001321771217 1141340636 /nfs/dbraw/zinc/34/06/36/1141340636.db2.gz YYSGXBUNMKVCEN-AWEZNQCLSA-N 1 0 313.401 2.307 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C ZINC001322032738 1141383890 /nfs/dbraw/zinc/38/38/90/1141383890.db2.gz KAPDNORGVOZHBQ-KSSFIOAISA-N 1 0 320.433 2.025 20 10 DECDRO CCN1CC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C(C)(C)C1 ZINC001249218721 1141860745 /nfs/dbraw/zinc/86/07/45/1141860745.db2.gz ZZQIEPOQHXENMH-UHFFFAOYSA-N 1 0 320.433 2.024 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1CC[NH3+] ZINC001336770818 1142566202 /nfs/dbraw/zinc/56/62/02/1142566202.db2.gz LHYKSTIZTHGPDI-TZMCWYRMSA-N 1 0 322.428 2.018 20 10 DECDRO C[NH2+]CCN(C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC001336827228 1142585830 /nfs/dbraw/zinc/58/58/30/1142585830.db2.gz UCAOUZHUXGHAHX-UHFFFAOYSA-N 1 0 306.454 2.200 20 10 DECDRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC001336825702 1142586147 /nfs/dbraw/zinc/58/61/47/1142586147.db2.gz GPGNLBZVYNFHPA-OAHLLOKOSA-N 1 0 306.454 2.434 20 10 DECDRO CCOC[C@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252038133 1142607966 /nfs/dbraw/zinc/60/79/66/1142607966.db2.gz JGFDXWJQAJREGR-MRXNPFEDSA-N 1 0 322.449 2.217 20 10 DECDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001336971811 1142644040 /nfs/dbraw/zinc/64/40/40/1142644040.db2.gz PKXNABOSDHEBCG-ZIAGYGMSSA-N 1 0 304.438 2.188 20 10 DECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337069978 1142674989 /nfs/dbraw/zinc/67/49/89/1142674989.db2.gz FCPZQZNPYXWNRP-OAHLLOKOSA-N 1 0 304.438 2.142 20 10 DECDRO CC(C)(C)[NH2+]C[C@@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001253404464 1142869598 /nfs/dbraw/zinc/86/95/98/1142869598.db2.gz WRFRVBPIYLUPTG-KRWDZBQOSA-N 1 0 305.466 2.125 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001253713155 1142895853 /nfs/dbraw/zinc/89/58/53/1142895853.db2.gz YSIJUDCECSDXJX-WFASDCNBSA-N 1 0 308.422 2.106 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1O ZINC001339845904 1143129706 /nfs/dbraw/zinc/12/97/06/1143129706.db2.gz SCZTZCMYQMTFST-INIZCTEOSA-N 1 0 313.401 2.196 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001254585885 1143267448 /nfs/dbraw/zinc/26/74/48/1143267448.db2.gz YEYBTALRIFJKSQ-CQSZACIVSA-N 1 0 314.341 2.306 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CCC(CC1)[NH2+]2 ZINC001341800155 1143710896 /nfs/dbraw/zinc/71/08/96/1143710896.db2.gz XUHOULMFGQLAAT-UHFFFAOYSA-N 1 0 301.434 2.386 20 10 DECDRO Oc1ccc2ccncc2c1C[NH+]1CCC2(CC1)COCCO2 ZINC001262054069 1144287987 /nfs/dbraw/zinc/28/79/87/1144287987.db2.gz URNPHTFAQUWOJX-UHFFFAOYSA-N 1 0 314.385 2.322 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC001262560229 1144319243 /nfs/dbraw/zinc/31/92/43/1144319243.db2.gz KOWXCZQXMRCJIE-HNNXBMFYSA-N 1 0 304.438 2.084 20 10 DECDRO CCN(CC)c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1F ZINC001308223231 1147457420 /nfs/dbraw/zinc/45/74/20/1147457420.db2.gz VGMLSEKGBZLJHJ-INIZCTEOSA-N 1 0 323.456 2.218 20 10 DECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325929199 1148020739 /nfs/dbraw/zinc/02/07/39/1148020739.db2.gz YFQMMPQJJFSONJ-ZIAGYGMSSA-N 1 0 309.429 2.091 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000369651432 529780495 /nfs/dbraw/zinc/78/04/95/529780495.db2.gz YCZIVEVYMJCLNV-UHFFFAOYSA-N 1 0 301.434 2.197 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103321323 185446892 /nfs/dbraw/zinc/44/68/92/185446892.db2.gz GIZVAXLYFKDUOD-UHFFFAOYSA-N 1 0 305.422 2.266 20 10 DECDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000066697103 354729464 /nfs/dbraw/zinc/72/94/64/354729464.db2.gz SCCNIPFQQBMYKZ-OAHLLOKOSA-N 1 0 303.450 2.443 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000092218105 193174883 /nfs/dbraw/zinc/17/48/83/193174883.db2.gz XWXRWMYPTOEZQB-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)C3)cc2)CC1 ZINC000294968001 224345874 /nfs/dbraw/zinc/34/58/74/224345874.db2.gz LMJFPECRXXPPSW-SFHVURJKSA-N 1 0 304.434 2.259 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273175109 130094579 /nfs/dbraw/zinc/09/45/79/130094579.db2.gz CTWXEJDKSVAGNS-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc2c(cc1O)CCCC2 ZINC000273592801 130142309 /nfs/dbraw/zinc/14/23/09/130142309.db2.gz PQUNOARZOKNHJA-YOEHRIQHSA-N 1 0 317.477 2.167 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1O ZINC000275365867 130308525 /nfs/dbraw/zinc/30/85/25/130308525.db2.gz BMCPMRKBUARDMX-WMLDXEAASA-N 1 0 317.389 2.144 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1 ZINC000275413365 130317444 /nfs/dbraw/zinc/31/74/44/130317444.db2.gz DFRQPLRNAMGACQ-HOCLYGCPSA-N 1 0 317.389 2.144 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1F ZINC000275508395 130327447 /nfs/dbraw/zinc/32/74/47/130327447.db2.gz SDHFAICWKVHLHA-UHFFFAOYSA-N 1 0 322.428 2.175 20 10 DECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000285835498 131204403 /nfs/dbraw/zinc/20/44/03/131204403.db2.gz HKNPTSSTSWYCBH-MAUKXSAKSA-N 1 0 303.450 2.048 20 10 DECDRO Cc1cnn(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000289228322 131367165 /nfs/dbraw/zinc/36/71/65/131367165.db2.gz YHLNAQMWUMPIFC-UHFFFAOYSA-N 1 0 314.433 2.197 20 10 DECDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c1O ZINC000289492811 131390625 /nfs/dbraw/zinc/39/06/25/131390625.db2.gz RWBKTNDPYSLMAF-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000272765158 292063860 /nfs/dbraw/zinc/06/38/60/292063860.db2.gz RCGZHSRUGMIUKG-AWEZNQCLSA-N 1 0 318.417 2.210 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001300705461 1151931386 /nfs/dbraw/zinc/93/13/86/1151931386.db2.gz ONBFZZPXTNQYMV-CYBMUJFWSA-N 1 0 317.393 2.452 20 10 DECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647031 402018801 /nfs/dbraw/zinc/01/88/01/402018801.db2.gz CGZMRRDRIZLKHS-HOCLYGCPSA-N 1 0 311.447 2.488 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)CC)CC2)c1O ZINC000092186981 402002202 /nfs/dbraw/zinc/00/22/02/402002202.db2.gz OCBQIAOLBZYWNN-UHFFFAOYSA-N 1 0 306.406 2.235 20 10 DECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000237557399 402412567 /nfs/dbraw/zinc/41/25/67/402412567.db2.gz OGXASCQLNNNBLE-HNNXBMFYSA-N 1 0 311.429 2.448 20 10 DECDRO Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(O)c1O ZINC000177670091 402424960 /nfs/dbraw/zinc/42/49/60/402424960.db2.gz VVQWMFWXNUYXLW-UHFFFAOYSA-N 1 0 304.390 2.107 20 10 DECDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000162695084 402429185 /nfs/dbraw/zinc/42/91/85/402429185.db2.gz VHCOXJJDNUKSJA-ZDUSSCGKSA-N 1 0 315.373 2.364 20 10 DECDRO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000187032948 402478986 /nfs/dbraw/zinc/47/89/86/402478986.db2.gz DQOBDVFBHUSWIM-HNNXBMFYSA-N 1 0 314.385 2.439 20 10 DECDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cc1 ZINC000178724540 402530890 /nfs/dbraw/zinc/53/08/90/402530890.db2.gz PIMRVPIEOMPDRG-MRXNPFEDSA-N 1 0 319.449 2.107 20 10 DECDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc3c(cc2O)OCO3)c(C)o1 ZINC000174440162 402741218 /nfs/dbraw/zinc/74/12/18/402741218.db2.gz AQNVARHSIUDZDA-QGZVFWFLSA-N 1 0 319.357 2.328 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1F ZINC000193684774 402775289 /nfs/dbraw/zinc/77/52/89/402775289.db2.gz LUBWEJHZBIBSCG-LRDDRELGSA-N 1 0 307.413 2.286 20 10 DECDRO COc1cc(N2CC[NH+](CCCF)CC2)cc(OC)c1OC ZINC000183705985 402790566 /nfs/dbraw/zinc/79/05/66/402790566.db2.gz NXEGKAPMPJPJJX-UHFFFAOYSA-N 1 0 312.385 2.194 20 10 DECDRO Cc1cc(Br)cc(C[N@H+](CCO)C2CC2)c1O ZINC000271748899 402883518 /nfs/dbraw/zinc/88/35/18/402883518.db2.gz UNBTUAFUNGGDFO-UHFFFAOYSA-N 1 0 300.196 2.420 20 10 DECDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)C(F)(F)F ZINC000271795470 402884269 /nfs/dbraw/zinc/88/42/69/402884269.db2.gz HSYJXJGMMFHWFB-NOZJJQNGSA-N 1 0 323.311 2.201 20 10 DECDRO COC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279679098 402961117 /nfs/dbraw/zinc/96/11/17/402961117.db2.gz ITUYSGGNDJRKKU-MRXNPFEDSA-N 1 0 317.385 2.068 20 10 DECDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000280511837 403007788 /nfs/dbraw/zinc/00/77/88/403007788.db2.gz QHUWAUXMBKZBRI-LBPRGKRZSA-N 1 0 300.196 2.357 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280201138 402974790 /nfs/dbraw/zinc/97/47/90/402974790.db2.gz IAELINYYPBBJDR-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000280255438 402980101 /nfs/dbraw/zinc/98/01/01/402980101.db2.gz JFQKQCCODURKDG-ROUUACIJSA-N 1 0 318.461 2.412 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000281183249 403060451 /nfs/dbraw/zinc/06/04/51/403060451.db2.gz QTYDWHUSSVXPGH-NSHDSACASA-N 1 0 313.419 2.019 20 10 DECDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268821628 403117353 /nfs/dbraw/zinc/11/73/53/403117353.db2.gz PJMVSAIACYVZLX-OAHLLOKOSA-N 1 0 314.433 2.379 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905394 403120650 /nfs/dbraw/zinc/12/06/50/403120650.db2.gz LSMMOVHZADFFMH-MSOLQXFVSA-N 1 0 304.482 2.039 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000271080375 403261978 /nfs/dbraw/zinc/26/19/78/403261978.db2.gz INJXTAFKYDSRIA-VIFPVBQESA-N 1 0 314.179 2.150 20 10 DECDRO CC(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1(CO)CCC1 ZINC000292871160 403381070 /nfs/dbraw/zinc/38/10/70/403381070.db2.gz WKZCULIPMUVXNX-INIZCTEOSA-N 1 0 307.390 2.398 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000294002884 403620988 /nfs/dbraw/zinc/62/09/88/403620988.db2.gz CTYBRMGYYDYUBH-KGLIPLIRSA-N 1 0 311.447 2.484 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000295111252 403763566 /nfs/dbraw/zinc/76/35/66/403763566.db2.gz LQSHOECGYDHAME-NHAGDIPZSA-N 1 0 322.380 2.486 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294628195 403723709 /nfs/dbraw/zinc/72/37/09/403723709.db2.gz FTYNGDOIRJQPOT-KGLIPLIRSA-N 1 0 305.422 2.463 20 10 DECDRO COc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000289821468 404000701 /nfs/dbraw/zinc/00/07/01/404000701.db2.gz TXVOTDXFLMUDAE-AWEZNQCLSA-N 1 0 322.405 2.454 20 10 DECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000290277587 404108512 /nfs/dbraw/zinc/10/85/12/404108512.db2.gz YRPKGRMOQUKLTK-CYBMUJFWSA-N 1 0 308.378 2.111 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cc1F ZINC000290461780 404178828 /nfs/dbraw/zinc/17/88/28/404178828.db2.gz WMQZHBUEMBDDJM-INIZCTEOSA-N 1 0 310.413 2.363 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[NH+](C)C ZINC000350284372 404358149 /nfs/dbraw/zinc/35/81/49/404358149.db2.gz CXGQNQAXMFOLMC-UHFFFAOYSA-N 1 0 302.422 2.190 20 10 DECDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3O)CC2)C1 ZINC000367472808 405061634 /nfs/dbraw/zinc/06/16/34/405061634.db2.gz WFMLLHNNGLXXIO-INIZCTEOSA-N 1 0 323.868 2.257 20 10 DECDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000275674452 225458423 /nfs/dbraw/zinc/45/84/23/225458423.db2.gz VTYHJUZMEWATFV-RDJZCZTQSA-N 1 0 313.401 2.458 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC000369800670 227039365 /nfs/dbraw/zinc/03/93/65/227039365.db2.gz WQOHZELVVOOXKD-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000372503294 227092103 /nfs/dbraw/zinc/09/21/03/227092103.db2.gz NAVOQZXGBUQBKL-HNNXBMFYSA-N 1 0 312.417 2.361 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1CC[NH2+]CC1 ZINC000418104318 229221499 /nfs/dbraw/zinc/22/14/99/229221499.db2.gz XRIYVFWFCWHIDU-UHFFFAOYSA-N 1 0 314.433 2.380 20 10 DECDRO CSc1ccc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1 ZINC000662586216 425685871 /nfs/dbraw/zinc/68/58/71/425685871.db2.gz QWCKTDRHGCUKKH-NSHDSACASA-N 1 0 316.430 2.485 20 10 DECDRO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCc2c1cccc2Cl ZINC000662605265 425691909 /nfs/dbraw/zinc/69/19/09/425691909.db2.gz KWAOLHUCBVBZHS-JTQLQIEISA-N 1 0 316.792 2.343 20 10 DECDRO Cc1cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)ccc1N(C)C ZINC000294000064 301270995 /nfs/dbraw/zinc/27/09/95/301270995.db2.gz FZNUYBGABPFVLX-INIZCTEOSA-N 1 0 305.466 2.214 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373642282 534200587 /nfs/dbraw/zinc/20/05/87/534200587.db2.gz ULWBCQWTIIGDPK-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCCCNC2=O)cc1 ZINC000835029392 649868988 /nfs/dbraw/zinc/86/89/88/649868988.db2.gz XKVWESYRRSTUDM-DKRLNXSXSA-N 1 0 301.434 2.366 20 10 DECDRO CC[NH+]1CCC(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180815720 521544610 /nfs/dbraw/zinc/54/46/10/521544610.db2.gz FTIXXCZBAULKRE-GQCTYLIASA-N 1 0 318.417 2.349 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265879563 522211451 /nfs/dbraw/zinc/21/14/51/522211451.db2.gz OEHDBGXDVINKJZ-HOCLYGCPSA-N 1 0 310.463 2.198 20 10 DECDRO COCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000237328859 523939471 /nfs/dbraw/zinc/93/94/71/523939471.db2.gz XABQXJYWNNBEQZ-UHFFFAOYSA-N 1 0 315.417 2.060 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000180031624 524391976 /nfs/dbraw/zinc/39/19/76/524391976.db2.gz SRPRUPUFYCDIFI-MRXNPFEDSA-N 1 0 304.434 2.245 20 10 DECDRO COc1ccc(N2CC[NH+](CCCn3ccnc3)CC2)cc1F ZINC000182841428 524423723 /nfs/dbraw/zinc/42/37/23/524423723.db2.gz WCHXHNUUYNRCOT-UHFFFAOYSA-N 1 0 318.396 2.243 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265860044 524469905 /nfs/dbraw/zinc/46/99/05/524469905.db2.gz CNZCYDLNHDBMNM-HNNXBMFYSA-N 1 0 316.449 2.202 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000181377984 525308341 /nfs/dbraw/zinc/30/83/41/525308341.db2.gz KDGVPZULMMIAQK-AWEZNQCLSA-N 1 0 312.417 2.115 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987835 525507144 /nfs/dbraw/zinc/50/71/44/525507144.db2.gz ZHBOKDZAZVSMIW-PBHICJAKSA-N 1 0 320.433 2.325 20 10 DECDRO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1O ZINC000266463906 525998557 /nfs/dbraw/zinc/99/85/57/525998557.db2.gz RBFUMXIMMZJFMX-ZDUSSCGKSA-N 1 0 306.406 2.282 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCC[NH+]1CCCCCC1 ZINC000180892824 527613469 /nfs/dbraw/zinc/61/34/69/527613469.db2.gz AYQMRSIJMOIFGB-VQHVLOKHSA-N 1 0 318.417 2.493 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCOC(C)(C)C2)cc1 ZINC000835039132 649870280 /nfs/dbraw/zinc/87/02/80/649870280.db2.gz WSXGMZLSHBYPNK-WAYWQWQTSA-N 1 0 317.477 2.466 20 10 DECDRO COCCN1CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835041545 649870336 /nfs/dbraw/zinc/87/03/36/649870336.db2.gz YDWZJOZSQZFIHV-VGOKWCNXSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCOC(C)(C)C2)cc1 ZINC000835039129 649870366 /nfs/dbraw/zinc/87/03/66/649870366.db2.gz WSXGMZLSHBYPNK-AATRIKPKSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccnc(N(C)C)n2)cc1 ZINC000835042433 649870868 /nfs/dbraw/zinc/87/08/68/649870868.db2.gz HTROYTYEMJHQSM-AATRIKPKSA-N 1 0 311.433 2.412 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000835047412 649871221 /nfs/dbraw/zinc/87/12/21/649871221.db2.gz GWMFFRIAJODLKJ-DDKKJVIOSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054994 649872741 /nfs/dbraw/zinc/87/27/41/649872741.db2.gz PBTBCTFMTXXJJQ-DHJFXDNESA-N 1 0 315.461 2.171 20 10 DECDRO Oc1ccccc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826511302 607706520 /nfs/dbraw/zinc/70/65/20/607706520.db2.gz JVCMWFZKLJDDJD-UHFFFAOYSA-N 1 0 307.357 2.351 20 10 DECDRO CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840889579 625435897 /nfs/dbraw/zinc/43/58/97/625435897.db2.gz RWKIDNKWFDZPKK-ZYHUDNBSSA-N 1 0 315.410 2.494 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000840910676 625576497 /nfs/dbraw/zinc/57/64/97/625576497.db2.gz WLCNBYIUBCUZJW-LJQANCHMSA-N 1 0 317.477 2.358 20 10 DECDRO F[C@@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc3c(c1)CCO3)OCCO2 ZINC000892794834 625613921 /nfs/dbraw/zinc/61/39/21/625613921.db2.gz XGSMVJIEPSSVQP-CABCVRRESA-N 1 0 307.365 2.345 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2)c(O)c1OC ZINC000892435865 625639921 /nfs/dbraw/zinc/63/99/21/625639921.db2.gz UFMKYULHIJZHKH-AWEZNQCLSA-N 1 0 303.358 2.233 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c(O)c1OC ZINC000892439453 625647454 /nfs/dbraw/zinc/64/74/54/625647454.db2.gz VXRVQEIVCGHERA-CYBMUJFWSA-N 1 0 320.389 2.395 20 10 DECDRO CS/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250653 623795987 /nfs/dbraw/zinc/79/59/87/623795987.db2.gz BHWRXJMGLXKINS-WOLCWHLNSA-N 1 0 307.463 2.348 20 10 DECDRO Cc1cnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891250740 623796633 /nfs/dbraw/zinc/79/66/33/623796633.db2.gz ZPCPENFEDLORMV-HNNXBMFYSA-N 1 0 316.405 2.082 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccn(C)c2)[NH+](C)C)cc1 ZINC000891252688 623798658 /nfs/dbraw/zinc/79/86/58/623798658.db2.gz MKJWVEZMEDCRAK-KRWDZBQOSA-N 1 0 314.433 2.124 20 10 DECDRO COc1ccc(CN2CCC([NH2+]C(C)C)CC2)c(O)c1OC ZINC000891875779 624640278 /nfs/dbraw/zinc/64/02/78/624640278.db2.gz GRBUZNRHAPKXRM-UHFFFAOYSA-N 1 0 308.422 2.372 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CCN1CCc3ccccc31)OCO2 ZINC000725849786 625128667 /nfs/dbraw/zinc/12/86/67/625128667.db2.gz XQUJHZLCSJKQBC-UHFFFAOYSA-N 1 0 312.369 2.273 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)cc1F ZINC000921624569 633819593 /nfs/dbraw/zinc/81/95/93/633819593.db2.gz VFSGWSIEAGEPHE-UHFFFAOYSA-N 1 0 302.397 2.404 20 10 DECDRO CC/C(C)=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607673 635029618 /nfs/dbraw/zinc/02/96/18/635029618.db2.gz IZJVKGNHSGODJF-FYWRMAATSA-N 1 0 301.434 2.411 20 10 DECDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 ZINC000840964700 635818650 /nfs/dbraw/zinc/81/86/50/635818650.db2.gz VBIDQTRVQMXXNU-INMHGKMJSA-N 1 0 304.434 2.426 20 10 DECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922076144 635849048 /nfs/dbraw/zinc/84/90/48/635849048.db2.gz OWSVFOXAEDSUKH-MRXNPFEDSA-N 1 0 302.418 2.360 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC000922124489 635881657 /nfs/dbraw/zinc/88/16/57/635881657.db2.gz UAPDACJFPYEEKY-UHFFFAOYSA-N 1 0 323.458 2.459 20 10 DECDRO Nc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000261552941 635890585 /nfs/dbraw/zinc/89/05/85/635890585.db2.gz SBUZSMAADWUXBL-SFHVURJKSA-N 1 0 309.413 2.202 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(OC)OC)CC2)cc1 ZINC000922313052 636081271 /nfs/dbraw/zinc/08/12/71/636081271.db2.gz JKZMUVGVSOQCTB-ZDUSSCGKSA-N 1 0 308.422 2.261 20 10 DECDRO COC(=O)c1c(C[N@H+](C)[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894002940 636088499 /nfs/dbraw/zinc/08/84/99/636088499.db2.gz YTHMAPKSYPZFJH-LBPRGKRZSA-N 1 0 320.364 2.325 20 10 DECDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922327559 636090765 /nfs/dbraw/zinc/09/07/65/636090765.db2.gz JPNNJUTUSQAXJI-QGZVFWFLSA-N 1 0 304.434 2.212 20 10 DECDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCSC1 ZINC000922573836 636245610 /nfs/dbraw/zinc/24/56/10/636245610.db2.gz ZRKUYTYJMKSTBU-KRWDZBQOSA-N 1 0 322.474 2.135 20 10 DECDRO OC1(C2(C[NH2+]Cc3ccc4c(c3)CCCO4)CC2)CCOCC1 ZINC000922594380 636267772 /nfs/dbraw/zinc/26/77/72/636267772.db2.gz GRDCEIPEUZXJCU-UHFFFAOYSA-N 1 0 317.429 2.423 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000922641422 636296208 /nfs/dbraw/zinc/29/62/08/636296208.db2.gz LJCVPZQLHWDMAJ-KCJUWKMLSA-N 1 0 316.195 2.288 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC000894167469 636357539 /nfs/dbraw/zinc/35/75/39/636357539.db2.gz ZZPZEGLMNQUYQA-OAHLLOKOSA-N 1 0 317.385 2.239 20 10 DECDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922825385 636422882 /nfs/dbraw/zinc/42/28/82/636422882.db2.gz OVUNBVZLDXXBCU-OAHLLOKOSA-N 1 0 310.413 2.303 20 10 DECDRO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000924900591 636490368 /nfs/dbraw/zinc/49/03/68/636490368.db2.gz FACIQWIFJOOLFA-CQSZACIVSA-N 1 0 322.405 2.118 20 10 DECDRO CC(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cnn(C)c1 ZINC000922894422 636757307 /nfs/dbraw/zinc/75/73/07/636757307.db2.gz KMHNZWFELJOAHX-INIZCTEOSA-N 1 0 303.362 2.341 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCO[C@@H]3CCOC3)CC2)cc1 ZINC000922936836 636868516 /nfs/dbraw/zinc/86/85/16/636868516.db2.gz OMVXPILAABJDFZ-GOSISDBHSA-N 1 0 320.433 2.059 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000894339228 636886346 /nfs/dbraw/zinc/88/63/46/636886346.db2.gz UJIPRPPOAWRCLN-ZDUSSCGKSA-N 1 0 305.374 2.243 20 10 DECDRO OC[C@]1([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)CCCO1 ZINC000894648262 637148773 /nfs/dbraw/zinc/14/87/73/637148773.db2.gz HOJBBECDBGBFIJ-OALUTQOASA-N 1 0 317.429 2.421 20 10 DECDRO COc1ccc(C[NH2+]CCc2ncccc2C)c(O)c1OC ZINC000894716266 637174134 /nfs/dbraw/zinc/17/41/34/637174134.db2.gz XDLXLEZCLXVXRC-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000923536214 637235042 /nfs/dbraw/zinc/23/50/42/637235042.db2.gz JBGZVKKHCRGKFT-QGZVFWFLSA-N 1 0 306.381 2.452 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c(O)c1OC ZINC000894858677 637264893 /nfs/dbraw/zinc/26/48/93/637264893.db2.gz KJBOAKJENGEGNJ-KGLIPLIRSA-N 1 0 307.390 2.457 20 10 DECDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000838478863 637582453 /nfs/dbraw/zinc/58/24/53/637582453.db2.gz NATAKMZYAADICK-INIZCTEOSA-N 1 0 318.465 2.297 20 10 DECDRO CCn1nncc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000838798543 637652463 /nfs/dbraw/zinc/65/24/63/637652463.db2.gz IBFKBOKMKSPEEJ-UHFFFAOYSA-N 1 0 315.421 2.019 20 10 DECDRO c1csc(SCCC[NH2+]Cc2cn3cccnc3n2)n1 ZINC000838962653 637728266 /nfs/dbraw/zinc/72/82/66/637728266.db2.gz OAAXDZJDXFQKIH-UHFFFAOYSA-N 1 0 305.432 2.458 20 10 DECDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000839196137 637821991 /nfs/dbraw/zinc/82/19/91/637821991.db2.gz RXZPHYCEPUBFDT-UONOGXRCSA-N 1 0 318.339 2.275 20 10 DECDRO COc1ccc(C[NH2+]CCc2cnccc2C)c(O)c1OC ZINC000895333966 637937462 /nfs/dbraw/zinc/93/74/62/637937462.db2.gz MXNUNFSORVRGEW-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000895604012 638104388 /nfs/dbraw/zinc/10/43/88/638104388.db2.gz UGJOPNFKIKEUCL-KLPPZKSPSA-N 1 0 311.813 2.185 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C2CC2)c(Cl)c1 ZINC000840967196 650396373 /nfs/dbraw/zinc/39/63/73/650396373.db2.gz XHZHYIJIRPLDCA-UHFFFAOYSA-N 1 0 303.811 2.021 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)COCCO3)cc1F ZINC000895696319 638155251 /nfs/dbraw/zinc/15/52/51/638155251.db2.gz TZSIZXFTWUMHAZ-UHFFFAOYSA-N 1 0 308.397 2.273 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1 ZINC000895818031 638214503 /nfs/dbraw/zinc/21/45/03/638214503.db2.gz AUMVWORYYLCXMZ-NUTKFTJISA-N 1 0 307.390 2.217 20 10 DECDRO COc1ccc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c(O)c1OC ZINC000895924581 638269194 /nfs/dbraw/zinc/26/91/94/638269194.db2.gz PCVGXCPDGCFXDJ-ZDUSSCGKSA-N 1 0 309.406 2.392 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c(O)c1OC ZINC000895931052 638272054 /nfs/dbraw/zinc/27/20/54/638272054.db2.gz FSQZSKLGQDQNFP-KWCYVHTRSA-N 1 0 307.390 2.457 20 10 DECDRO COc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000841042349 650411578 /nfs/dbraw/zinc/41/15/78/650411578.db2.gz INXCFVGKPZULBJ-MRXNPFEDSA-N 1 0 315.417 2.256 20 10 DECDRO Cc1nn(C)c(Cl)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040235 650412071 /nfs/dbraw/zinc/41/20/71/650412071.db2.gz JKYRNEFYPKDYNH-OAHLLOKOSA-N 1 0 321.856 2.238 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1 ZINC000896397076 638501619 /nfs/dbraw/zinc/50/16/19/638501619.db2.gz UREWZFFNVMMUGK-SUMWQHHRSA-N 1 0 320.389 2.111 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)c1O ZINC000896472211 638531686 /nfs/dbraw/zinc/53/16/86/638531686.db2.gz KMBXYWOVSLRHJT-TZMCWYRMSA-N 1 0 307.390 2.422 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000896459297 638534204 /nfs/dbraw/zinc/53/42/04/638534204.db2.gz LZBMBFMQCNINKX-KRWDZBQOSA-N 1 0 320.389 2.111 20 10 DECDRO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000841099347 650430745 /nfs/dbraw/zinc/43/07/45/650430745.db2.gz ILBVHYHWNCLJPP-NVXWUHKLSA-N 1 0 308.397 2.250 20 10 DECDRO COc1cccc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1O ZINC000841104204 650432042 /nfs/dbraw/zinc/43/20/42/650432042.db2.gz OZABQWQBOYGHRX-JKSUJKDBSA-N 1 0 316.376 2.467 20 10 DECDRO COc1ccc(O)c(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000841104514 650432262 /nfs/dbraw/zinc/43/22/62/650432262.db2.gz TXKZWIUCKMUVPQ-DLBZAZTESA-N 1 0 316.376 2.467 20 10 DECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000896960201 639094935 /nfs/dbraw/zinc/09/49/35/639094935.db2.gz KQFDIPNRFPGKEJ-SNVBAGLBSA-N 1 0 313.781 2.439 20 10 DECDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000897175582 639223933 /nfs/dbraw/zinc/22/39/33/639223933.db2.gz DZDXCILTRVQROT-MRXNPFEDSA-N 1 0 305.418 2.454 20 10 DECDRO CNC(=O)CCOC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000754741184 639467118 /nfs/dbraw/zinc/46/71/18/639467118.db2.gz XXFPPEIUKLPDQE-UHFFFAOYSA-N 1 0 320.433 2.126 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756735975 639691179 /nfs/dbraw/zinc/69/11/79/639691179.db2.gz JWNJEBIVCANPNP-GBIKHYSHSA-N 1 0 304.365 2.433 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654990 650531028 /nfs/dbraw/zinc/53/10/28/650531028.db2.gz QTHNOICLWRGMQN-CZUORRHYSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000841717892 650550598 /nfs/dbraw/zinc/55/05/98/650550598.db2.gz NXDGTXFDRSULJN-GOSISDBHSA-N 1 0 318.465 2.413 20 10 DECDRO C[NH+](C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000897423484 640092235 /nfs/dbraw/zinc/09/22/35/640092235.db2.gz OOETYTVDZFOXTR-UHFFFAOYSA-N 1 0 303.366 2.015 20 10 DECDRO [NH3+]CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000841709887 650546917 /nfs/dbraw/zinc/54/69/17/650546917.db2.gz OFDJUYKBHGGILP-UHFFFAOYSA-N 1 0 316.449 2.167 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000841826299 650572433 /nfs/dbraw/zinc/57/24/33/650572433.db2.gz GVMZROKOCAAHQU-YOEHRIQHSA-N 1 0 318.465 2.472 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1F ZINC000841799145 650567364 /nfs/dbraw/zinc/56/73/64/650567364.db2.gz QCGAYGBRIOFCRU-CQSZACIVSA-N 1 0 322.428 2.162 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000841827388 650573294 /nfs/dbraw/zinc/57/32/94/650573294.db2.gz NCGDYNKQNABAKV-MRXNPFEDSA-N 1 0 304.438 2.084 20 10 DECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841829459 650574011 /nfs/dbraw/zinc/57/40/11/650574011.db2.gz PWKOJPUGJJLOQL-QGZVFWFLSA-N 1 0 318.465 2.375 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c(O)c1OC ZINC000897501433 640504856 /nfs/dbraw/zinc/50/48/56/640504856.db2.gz UEFMVSHQTGUDCP-ZIAGYGMSSA-N 1 0 307.390 2.457 20 10 DECDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000841861415 650583981 /nfs/dbraw/zinc/58/39/81/650583981.db2.gz VVMNWSFJCZLHQR-AWEZNQCLSA-N 1 0 322.424 2.444 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000841936346 650606444 /nfs/dbraw/zinc/60/64/44/650606444.db2.gz HALANYAIKUATFQ-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000841943257 650608077 /nfs/dbraw/zinc/60/80/77/650608077.db2.gz IKQRZJRPFCADGS-INIZCTEOSA-N 1 0 306.454 2.267 20 10 DECDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765934037 640829658 /nfs/dbraw/zinc/82/96/58/640829658.db2.gz GEVBOSIJLBFWNE-ACJLOTCBSA-N 1 0 322.424 2.474 20 10 DECDRO Nc1ccc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000841961247 650614301 /nfs/dbraw/zinc/61/43/01/650614301.db2.gz DHNJXDJJENYYPF-QGZVFWFLSA-N 1 0 316.449 2.081 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000841765147 640877489 /nfs/dbraw/zinc/87/74/89/640877489.db2.gz NGZARAQEBFWGFY-WDEREUQCSA-N 1 0 300.349 2.391 20 10 DECDRO COC(=O)c1cc(C2C[NH+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000898005311 640990654 /nfs/dbraw/zinc/99/06/54/640990654.db2.gz ZGIHHEFSBITTDC-UHFFFAOYSA-N 1 0 321.764 2.155 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000768302517 641066843 /nfs/dbraw/zinc/06/68/43/641066843.db2.gz HHXXUSXIEJSMNE-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCc3sccc3C1)[C@@H](O)CO2 ZINC000768441944 641082789 /nfs/dbraw/zinc/08/27/89/641082789.db2.gz RBSSMBBKHDXKBQ-AWEZNQCLSA-N 1 0 303.383 2.438 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCc3ccccc3CC1)[C@H](O)CO2 ZINC000768444714 641082844 /nfs/dbraw/zinc/08/28/44/641082844.db2.gz BPEMNSLYTCEUFY-GOSISDBHSA-N 1 0 311.381 2.419 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000769381383 641229285 /nfs/dbraw/zinc/22/92/85/641229285.db2.gz OPJRBEZSVUHLGX-ZWNOBZJWSA-N 1 0 305.296 2.288 20 10 DECDRO COc1cccc(O)c1C[N@H+](CCO)CCc1ccccc1 ZINC000769428330 641238424 /nfs/dbraw/zinc/23/84/24/641238424.db2.gz YNMKQCLFBQLPFJ-UHFFFAOYSA-N 1 0 301.386 2.438 20 10 DECDRO CCOc1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC000769468642 641245700 /nfs/dbraw/zinc/24/57/00/641245700.db2.gz LWPPWLXDCOVIRN-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO COC1CC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000769491364 641250871 /nfs/dbraw/zinc/25/08/71/641250871.db2.gz NGDJZEVBBAOEIV-UHFFFAOYSA-N 1 0 304.434 2.162 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c(O)c1 ZINC000769508585 641253010 /nfs/dbraw/zinc/25/30/10/641253010.db2.gz RZCQTMUHHFKSOB-CQSZACIVSA-N 1 0 309.406 2.276 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCOC1 ZINC000770675408 641406882 /nfs/dbraw/zinc/40/68/82/641406882.db2.gz FDPODIZWWCXNFX-QGZVFWFLSA-N 1 0 324.396 2.094 20 10 DECDRO CCCn1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841043380 641445193 /nfs/dbraw/zinc/44/51/93/641445193.db2.gz OEGLVTWQYGFGQI-QGZVFWFLSA-N 1 0 301.438 2.149 20 10 DECDRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000842167585 650664821 /nfs/dbraw/zinc/66/48/21/650664821.db2.gz VCKKWVFYKHEWBS-RBSFLKMASA-N 1 0 303.450 2.345 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nnc4ccccn43)cc2)CC1 ZINC000771757141 641544969 /nfs/dbraw/zinc/54/49/69/641544969.db2.gz LNGRIURISGQVDZ-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CC[N@H+](C)C1 ZINC000898587889 641713241 /nfs/dbraw/zinc/71/32/41/641713241.db2.gz SJCSWZASJFVSSS-NSHDSACASA-N 1 0 320.414 2.479 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773372438 641765987 /nfs/dbraw/zinc/76/59/87/641765987.db2.gz UDFFTFARIUZNCR-GJZGRUSLSA-N 1 0 318.465 2.455 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Cl)ccc1O ZINC000927146375 641774468 /nfs/dbraw/zinc/77/44/68/641774468.db2.gz NQTQUTJJFSOJEI-MWLCHTKSSA-N 1 0 306.797 2.382 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000773735072 641817653 /nfs/dbraw/zinc/81/76/53/641817653.db2.gz XVOHOJDGBDUDEN-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480044 641908901 /nfs/dbraw/zinc/90/89/01/641908901.db2.gz YVQHQCMPRRKLPY-RDTXWAMCSA-N 1 0 311.429 2.500 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCCO2)[NH+](C)C)cc1 ZINC000899103634 641935462 /nfs/dbraw/zinc/93/54/62/641935462.db2.gz NRLPPIKMRMPUBF-INIZCTEOSA-N 1 0 320.437 2.092 20 10 DECDRO COc1c(O)c(C[NH2+]Cc2cccc(F)n2)ccc1[N+](=O)[O-] ZINC000775035182 641997616 /nfs/dbraw/zinc/99/76/16/641997616.db2.gz WLQNNGWIQCHABT-UHFFFAOYSA-N 1 0 307.281 2.133 20 10 DECDRO CS(=O)(=O)[C@H]1CCCCN(Cc2cc(Cl)ccc2O)C1 ZINC000775194779 642015083 /nfs/dbraw/zinc/01/50/83/642015083.db2.gz YQAHILOWQMQDHW-ZDUSSCGKSA-N 1 0 317.838 2.445 20 10 DECDRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255933 642022425 /nfs/dbraw/zinc/02/24/25/642022425.db2.gz SBDZTOXRYCKAKQ-NHXNDTTKSA-N 1 0 318.417 2.293 20 10 DECDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N2CCOCC2)cc1 ZINC000775420529 642041969 /nfs/dbraw/zinc/04/19/69/642041969.db2.gz XTYUOSVBAIFHKT-OAHLLOKOSA-N 1 0 312.417 2.207 20 10 DECDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC000775833185 642102785 /nfs/dbraw/zinc/10/27/85/642102785.db2.gz HSIKXPYQZBHCCD-GFCCVEGCSA-N 1 0 303.366 2.208 20 10 DECDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000775838326 642103600 /nfs/dbraw/zinc/10/36/00/642103600.db2.gz XBQJJNMWNQTIDO-LBPRGKRZSA-N 1 0 302.378 2.338 20 10 DECDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000776000164 642121701 /nfs/dbraw/zinc/12/17/01/642121701.db2.gz LDTKMLULZIOVAU-CHWSQXEVSA-N 1 0 322.405 2.357 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1O ZINC000776214055 642144874 /nfs/dbraw/zinc/14/48/74/642144874.db2.gz ZDSGWIHDNQHGEL-LBPRGKRZSA-N 1 0 303.811 2.021 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000776865909 642214111 /nfs/dbraw/zinc/21/41/11/642214111.db2.gz AQRSXOOYIITHJT-FHLIZLRMSA-N 1 0 322.449 2.224 20 10 DECDRO CNC(=O)C1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCCC1 ZINC000779175373 642469062 /nfs/dbraw/zinc/46/90/62/642469062.db2.gz FAYAGIAGEPWKSN-UHFFFAOYSA-N 1 0 312.797 2.203 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c(O)c1 ZINC000779190702 642470644 /nfs/dbraw/zinc/47/06/44/642470644.db2.gz FGYZHDSYUDQWSG-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514367 642507376 /nfs/dbraw/zinc/50/73/76/642507376.db2.gz LEWNXGMPQFTQDC-FQEPKYARSA-N 1 0 318.417 2.490 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C ZINC000779539501 642509746 /nfs/dbraw/zinc/50/97/46/642509746.db2.gz GLPNFZNJYCFXPX-KELULYIISA-N 1 0 304.390 2.052 20 10 DECDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000781899890 642796008 /nfs/dbraw/zinc/79/60/08/642796008.db2.gz KUMXFSKAXSGXHN-UHFFFAOYSA-N 1 0 301.390 2.499 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000782388118 642875552 /nfs/dbraw/zinc/87/55/52/642875552.db2.gz WZZSWEYIICZUPP-GOSISDBHSA-N 1 0 306.450 2.410 20 10 DECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCC2)O1 ZINC000842644765 650793856 /nfs/dbraw/zinc/79/38/56/650793856.db2.gz HQZCKRJKRRXRBM-LRDDRELGSA-N 1 0 319.401 2.352 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1C ZINC000902640827 643095685 /nfs/dbraw/zinc/09/56/85/643095685.db2.gz NFPKWVAEKRXCNM-SJORKVTESA-N 1 0 304.434 2.040 20 10 DECDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c(O)c1 ZINC000842758565 650818544 /nfs/dbraw/zinc/81/85/44/650818544.db2.gz MDSIKLIPNLUOJI-QGZVFWFLSA-N 1 0 309.406 2.058 20 10 DECDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000842758746 650818848 /nfs/dbraw/zinc/81/88/48/650818848.db2.gz OCQKXRULRQELTL-QGZVFWFLSA-N 1 0 309.406 2.058 20 10 DECDRO C[C@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)c1ccccc1O ZINC000903355818 643325952 /nfs/dbraw/zinc/32/59/52/643325952.db2.gz KJRWEBMLBNYFHB-GUYCJALGSA-N 1 0 301.390 2.482 20 10 DECDRO CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1O ZINC000903372157 643330640 /nfs/dbraw/zinc/33/06/40/643330640.db2.gz IPRGCNZUKKLLRH-HNNXBMFYSA-N 1 0 321.417 2.481 20 10 DECDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903404101 643346101 /nfs/dbraw/zinc/34/61/01/643346101.db2.gz ICJPESMRFKZLJM-SCLBCKFNSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)CO ZINC000903448597 643354694 /nfs/dbraw/zinc/35/46/94/643354694.db2.gz QRLCEHQVHSNJMI-WMLDXEAASA-N 1 0 307.482 2.352 20 10 DECDRO Cc1nonc1[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903448600 643354803 /nfs/dbraw/zinc/35/48/03/643354803.db2.gz QRSLQZSPQZTYCP-LRDDRELGSA-N 1 0 317.437 2.398 20 10 DECDRO Cc1nonc1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903448602 643354885 /nfs/dbraw/zinc/35/48/85/643354885.db2.gz QRSLQZSPQZTYCP-WBMJQRKESA-N 1 0 317.437 2.398 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CN3C[C@@H]2CCC3)N(C)C)cc1 ZINC000903449387 643355994 /nfs/dbraw/zinc/35/59/94/643355994.db2.gz YGEDADJZOPPMFU-UHOSZYNNSA-N 1 0 316.493 2.039 20 10 DECDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000786946811 643432525 /nfs/dbraw/zinc/43/25/25/643432525.db2.gz VSEWTAXXITXKLU-SECBINFHSA-N 1 0 303.811 2.131 20 10 DECDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000786946637 643432612 /nfs/dbraw/zinc/43/26/12/643432612.db2.gz CEXZPALWKZCMPQ-LBPRGKRZSA-N 1 0 323.458 2.356 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)[C@@H](O)CO2 ZINC000789529941 643743738 /nfs/dbraw/zinc/74/37/38/643743738.db2.gz MVFJHBFSUBKTDZ-INIZCTEOSA-N 1 0 319.401 2.211 20 10 DECDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000790616319 643872846 /nfs/dbraw/zinc/87/28/46/643872846.db2.gz VSVIGDQDRXGHKO-ZDUSSCGKSA-N 1 0 306.406 2.482 20 10 DECDRO CCOC(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000792194235 644087951 /nfs/dbraw/zinc/08/79/51/644087951.db2.gz ADYGJEZNYGYFGV-UHFFFAOYSA-N 1 0 321.373 2.334 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(O)c1 ZINC000792862407 644161991 /nfs/dbraw/zinc/16/19/91/644161991.db2.gz FXHJFKAUITVMEQ-AWEZNQCLSA-N 1 0 323.437 2.176 20 10 DECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1C ZINC000792985553 644176808 /nfs/dbraw/zinc/17/68/08/644176808.db2.gz ZWNODOZJBYDWBB-TYNCELHUSA-N 1 0 307.390 2.468 20 10 DECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2O)[C@H]1C ZINC000793387274 644243521 /nfs/dbraw/zinc/24/35/21/644243521.db2.gz BQSMKGCTXBYOJM-SLEUVZQESA-N 1 0 307.390 2.468 20 10 DECDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ncn1 ZINC000794255768 644384662 /nfs/dbraw/zinc/38/46/62/644384662.db2.gz AYBCCXRZNVEOSI-UHFFFAOYSA-N 1 0 312.417 2.254 20 10 DECDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000794693710 644461777 /nfs/dbraw/zinc/46/17/77/644461777.db2.gz KIHOYQAFPZXMMG-YJBOKZPZSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)cc1C ZINC000794696026 644463406 /nfs/dbraw/zinc/46/34/06/644463406.db2.gz UFSTWLQNUXBUJA-GOSISDBHSA-N 1 0 321.417 2.479 20 10 DECDRO CC[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(C)cc1O ZINC000794812784 644478603 /nfs/dbraw/zinc/47/86/03/644478603.db2.gz GBNNKFJXZILVBT-CQSZACIVSA-N 1 0 301.394 2.338 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907272161 644488228 /nfs/dbraw/zinc/48/82/28/644488228.db2.gz FJXAFEKTIBSERM-WCQYABFASA-N 1 0 306.406 2.018 20 10 DECDRO Cc1cncc(/C=C/C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299741 650944472 /nfs/dbraw/zinc/94/44/72/650944472.db2.gz ZDSMTWOEVWWIST-URPWPPKMSA-N 1 0 324.428 2.285 20 10 DECDRO Cc1ccc(/C=C\C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000843299505 650944642 /nfs/dbraw/zinc/94/46/42/650944642.db2.gz WUXHDVVIQISVHE-SNMSSPIJSA-N 1 0 324.428 2.285 20 10 DECDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000843433324 650974442 /nfs/dbraw/zinc/97/44/42/650974442.db2.gz XMTTTYAOBXADEW-AWEZNQCLSA-N 1 0 316.323 2.201 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccn3)C1)[C@@H](O)CO2 ZINC000799158394 645135735 /nfs/dbraw/zinc/13/57/35/645135735.db2.gz KGVNKWFLMZVATO-PXAZEXFGSA-N 1 0 312.369 2.203 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1C ZINC000800534112 645284975 /nfs/dbraw/zinc/28/49/75/645284975.db2.gz KMTLWJAKBPMVOM-HNNXBMFYSA-N 1 0 311.447 2.408 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1O ZINC000808716356 645303669 /nfs/dbraw/zinc/30/36/69/645303669.db2.gz VWCJKVDBHWAYRW-SNVBAGLBSA-N 1 0 317.838 2.439 20 10 DECDRO Nc1ccc(CCNC(=O)[C@H](C[NH3+])C2CCCCCC2)cc1 ZINC000911782783 645822603 /nfs/dbraw/zinc/82/26/03/645822603.db2.gz NENPEZVJLUUEIP-QGZVFWFLSA-N 1 0 303.450 2.473 20 10 DECDRO 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C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817890396 647372154 /nfs/dbraw/zinc/37/21/54/647372154.db2.gz XJORDKSLHOQTCU-PBHICJAKSA-N 1 0 305.491 2.470 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000817934998 647387029 /nfs/dbraw/zinc/38/70/29/647387029.db2.gz SCLVUURAFUEALC-XYJFISCASA-N 1 0 319.493 2.349 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000817943561 647389825 /nfs/dbraw/zinc/38/98/25/647389825.db2.gz VLQTUABSEQJFGU-IRXDYDNUSA-N 1 0 313.449 2.153 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000817964418 647394914 /nfs/dbraw/zinc/39/49/14/647394914.db2.gz BZSXFOSCHROVPJ-GFCCVEGCSA-N 1 0 306.406 2.219 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C)cnn3C)C2)cc1 ZINC000818220170 647434606 /nfs/dbraw/zinc/43/46/06/647434606.db2.gz GGAYJAMVUGUALO-HNNXBMFYSA-N 1 0 314.433 2.353 20 10 DECDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000818431979 647464767 /nfs/dbraw/zinc/46/47/67/647464767.db2.gz YURNTAOVMQWUDK-HZPDHXFCSA-N 1 0 307.413 2.022 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818941379 647544396 /nfs/dbraw/zinc/54/43/96/647544396.db2.gz IOZCSYLGWMQHGC-KRWDZBQOSA-N 1 0 315.373 2.484 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818941380 647544432 /nfs/dbraw/zinc/54/44/32/647544432.db2.gz IOZCSYLGWMQHGC-QGZVFWFLSA-N 1 0 315.373 2.484 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1cccs1 ZINC000818996290 647560803 /nfs/dbraw/zinc/56/08/03/647560803.db2.gz DFANKVCOMGBFIT-OAHLLOKOSA-N 1 0 319.426 2.350 20 10 DECDRO CCOCC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819374643 647646511 /nfs/dbraw/zinc/64/65/11/647646511.db2.gz GTCZCKBHLMGVCD-YJBOKZPZSA-N 1 0 308.466 2.369 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(O)CCCC3)C2)cc1 ZINC000819379109 647647303 /nfs/dbraw/zinc/64/73/03/647647303.db2.gz CGHDGFQCHMQGCF-OAHLLOKOSA-N 1 0 304.434 2.416 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(O)CCCC3)C2)cc1 ZINC000819379108 647647400 /nfs/dbraw/zinc/64/74/00/647647400.db2.gz CGHDGFQCHMQGCF-HNNXBMFYSA-N 1 0 304.434 2.416 20 10 DECDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820233374 647809375 /nfs/dbraw/zinc/80/93/75/647809375.db2.gz RYZQEQUXRQSJFK-RISCZKNCSA-N 1 0 317.393 2.261 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c(O)c1 ZINC000822611965 648243052 /nfs/dbraw/zinc/24/30/52/648243052.db2.gz JESAISYSMPGMFM-HNNXBMFYSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)c(C)n1-c1ccccn1 ZINC000237715286 648409315 /nfs/dbraw/zinc/40/93/15/648409315.db2.gz XKLWKJLQDVPHJG-UHFFFAOYSA-N 1 0 312.417 2.489 20 10 DECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179891182 648430963 /nfs/dbraw/zinc/43/09/63/648430963.db2.gz OGGOFUWVWBXEMM-KRWDZBQOSA-N 1 0 318.417 2.051 20 10 DECDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000238020410 648464162 /nfs/dbraw/zinc/46/41/62/648464162.db2.gz WTGJCALRKMWXDK-UHFFFAOYSA-N 1 0 317.410 2.185 20 10 DECDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824253133 648553223 /nfs/dbraw/zinc/55/32/23/648553223.db2.gz LJULHJVAQHEWTL-UHFFFAOYSA-N 1 0 317.393 2.407 20 10 DECDRO COC[C@](C)(O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000824559716 648610814 /nfs/dbraw/zinc/61/08/14/648610814.db2.gz YFGUXHMMLQLNFE-GOSISDBHSA-N 1 0 322.449 2.041 20 10 DECDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824882702 648666204 /nfs/dbraw/zinc/66/62/04/648666204.db2.gz BUVDYXBTZRPRCE-AWEZNQCLSA-N 1 0 312.841 2.243 20 10 DECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104524 648704208 /nfs/dbraw/zinc/70/42/08/648704208.db2.gz YYNVCEWLWFBBLW-LDYMZIIASA-N 1 0 316.195 2.118 20 10 DECDRO Oc1c(C[NH2+]CCN2CCC(O)CC2)ccc2ccccc21 ZINC000825110544 648704855 /nfs/dbraw/zinc/70/48/55/648704855.db2.gz GVOJWSZGHQNIOK-UHFFFAOYSA-N 1 0 300.402 2.092 20 10 DECDRO CC(C)[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000939833346 648737736 /nfs/dbraw/zinc/73/77/36/648737736.db2.gz XDNXFDUJOANPMW-BXUZGUMPSA-N 1 0 317.393 2.308 20 10 DECDRO OC[C@H](CC1CC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825379316 648751740 /nfs/dbraw/zinc/75/17/40/648751740.db2.gz NYCCSCMWYDXASV-LBPRGKRZSA-N 1 0 300.196 2.405 20 10 DECDRO CCc1cccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000826867547 648939385 /nfs/dbraw/zinc/93/93/85/648939385.db2.gz KRTGAFXUAGNYJF-FQEVSTJZSA-N 1 0 309.353 2.355 20 10 DECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000826902276 648944882 /nfs/dbraw/zinc/94/48/82/648944882.db2.gz JQPCOSFPMMRMFB-ZDUSSCGKSA-N 1 0 313.873 2.407 20 10 DECDRO CO[C@]1(CO)CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000826952859 648951802 /nfs/dbraw/zinc/95/18/02/648951802.db2.gz VJMDQVIEJRJLSW-MJICGBHWSA-N 1 0 304.434 2.239 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827700835 649070741 /nfs/dbraw/zinc/07/07/41/649070741.db2.gz XWLSVLDAXJQSQI-LJQANCHMSA-N 1 0 317.477 2.092 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000827923814 649106604 /nfs/dbraw/zinc/10/66/04/649106604.db2.gz KJVCZASBWJIXII-UHFFFAOYSA-N 1 0 305.422 2.381 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)[C@H](O)C3)cc2)CC1 ZINC000828597766 649200672 /nfs/dbraw/zinc/20/06/72/649200672.db2.gz OANBTBCRTVRFSP-RDTXWAMCSA-N 1 0 304.434 2.114 20 10 DECDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000829528257 649319364 /nfs/dbraw/zinc/31/93/64/649319364.db2.gz NOMVDTGCLSAQRI-CYBMUJFWSA-N 1 0 321.471 2.312 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@](C)(O)CO)cc1 ZINC000830374603 649434644 /nfs/dbraw/zinc/43/46/44/649434644.db2.gz FQMINMBAJDDBLF-QGZVFWFLSA-N 1 0 320.458 2.217 20 10 DECDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597124 649465700 /nfs/dbraw/zinc/46/57/00/649465700.db2.gz AEUHTAWKCBTWII-GOSISDBHSA-N 1 0 324.424 2.457 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597420 649465908 /nfs/dbraw/zinc/46/59/08/649465908.db2.gz ICMKUAFGMZFTKR-HOCLYGCPSA-N 1 0 302.418 2.275 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000831095070 649537646 /nfs/dbraw/zinc/53/76/46/649537646.db2.gz UIQVDYMCINEPEZ-UHFFFAOYSA-N 1 0 312.417 2.211 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000733329622 649543839 /nfs/dbraw/zinc/54/38/39/649543839.db2.gz IDOFNZNWPCUCLF-CQSZACIVSA-N 1 0 318.339 2.190 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831202563 649552872 /nfs/dbraw/zinc/55/28/72/649552872.db2.gz IRTIFSQMRJINSO-UONOGXRCSA-N 1 0 306.454 2.410 20 10 DECDRO COc1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c(O)c1 ZINC000832178020 649681653 /nfs/dbraw/zinc/68/16/53/649681653.db2.gz KYDMSQFXPPSKDF-LBPRGKRZSA-N 1 0 306.406 2.043 20 10 DECDRO COc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c(O)c1 ZINC000832177866 649681805 /nfs/dbraw/zinc/68/18/05/649681805.db2.gz IJPSIBGSAKMWJP-ZKHDCCDFSA-N 1 0 318.417 2.171 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000844186612 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CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846163800 651312292 /nfs/dbraw/zinc/31/22/92/651312292.db2.gz LGSKRNIVSLBLBF-NWDGAFQWSA-N 1 0 308.378 2.282 20 10 DECDRO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000846191243 651314535 /nfs/dbraw/zinc/31/45/35/651314535.db2.gz BBIQFBLQTWNOQM-ACJLOTCBSA-N 1 0 305.418 2.463 20 10 DECDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000846208306 651315243 /nfs/dbraw/zinc/31/52/43/651315243.db2.gz IEULDCFEJCNJAA-JSGCOSHPSA-N 1 0 314.376 2.033 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000846663427 651343943 /nfs/dbraw/zinc/34/39/43/651343943.db2.gz IRSZEWDKPNKZLJ-BBWFWOEESA-N 1 0 301.434 2.305 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000846663892 651343979 /nfs/dbraw/zinc/34/39/79/651343979.db2.gz QWCOLSIMGWKYEQ-LTCOOKNTSA-N 1 0 313.445 2.471 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC[C@@H]2CCNC2=O)C2CC2)cc1 ZINC000846776828 651350879 /nfs/dbraw/zinc/35/08/79/651350879.db2.gz YXECCDBTKJIKAE-HNNXBMFYSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000848598987 651477344 /nfs/dbraw/zinc/47/73/44/651477344.db2.gz VYEVFOLDLSTYAB-BXKDBHETSA-N 1 0 318.343 2.002 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000848914277 651558426 /nfs/dbraw/zinc/55/84/26/651558426.db2.gz KLPPWOGFQZSOPV-ZDUSSCGKSA-N 1 0 304.390 2.229 20 10 DECDRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000848993168 651574402 /nfs/dbraw/zinc/57/44/02/651574402.db2.gz CMGCWWZJCJPRHZ-CQSZACIVSA-N 1 0 302.422 2.032 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855162642 651637574 /nfs/dbraw/zinc/63/75/74/651637574.db2.gz ZLQJKRUBQLLBON-DYLGSBMWSA-N 1 0 318.417 2.348 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000108567742 651664977 /nfs/dbraw/zinc/66/49/77/651664977.db2.gz WEOZZHLXVHFBIK-AWEZNQCLSA-N 1 0 322.428 2.033 20 10 DECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000850034010 651809376 /nfs/dbraw/zinc/80/93/76/651809376.db2.gz FYKGQOJAXWCQQF-LSDHHAIUSA-N 1 0 308.397 2.319 20 10 DECDRO COC[C@@](C)(O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850133492 651837911 /nfs/dbraw/zinc/83/79/11/651837911.db2.gz GEKXMICRPOAGIM-KRWDZBQOSA-N 1 0 311.422 2.185 20 10 DECDRO COc1cc(C[NH2+][C@@]2(CCO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850280319 651885370 /nfs/dbraw/zinc/88/53/70/651885370.db2.gz NVVZWSCABVALOH-SFHVURJKSA-N 1 0 323.433 2.329 20 10 DECDRO CO[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000850344016 651904020 /nfs/dbraw/zinc/90/40/20/651904020.db2.gz ZZNFUSQLZUZWJR-HRMTXBTBSA-N 1 0 304.434 2.407 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(OC)CCOCC3)C2)cc1 ZINC000850347797 651906139 /nfs/dbraw/zinc/90/61/39/651906139.db2.gz XSNQVAMMJVSASK-OAHLLOKOSA-N 1 0 320.433 2.059 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000850388361 651917788 /nfs/dbraw/zinc/91/77/88/651917788.db2.gz LPNNGHZGIGSPBN-INIZCTEOSA-N 1 0 322.424 2.161 20 10 DECDRO Cc1cc(O)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000850396978 651920920 /nfs/dbraw/zinc/92/09/20/651920920.db2.gz RQJHVGLAIBXXJE-QGZVFWFLSA-N 1 0 304.434 2.352 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C/C=C\CO)c1O ZINC000850508448 651941202 /nfs/dbraw/zinc/94/12/02/651941202.db2.gz MQYGMEVCRVUROR-ZBJFTSOASA-N 1 0 316.195 2.362 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CC2 ZINC000850554757 651952856 /nfs/dbraw/zinc/95/28/56/651952856.db2.gz FQLJXMDBOKHDAZ-CVEARBPZSA-N 1 0 302.418 2.222 20 10 DECDRO C[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000109769855 652071439 /nfs/dbraw/zinc/07/14/39/652071439.db2.gz GWWBIOQEEXNTMM-UHFFFAOYSA-N 1 0 313.357 2.172 20 10 DECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000857327367 652105770 /nfs/dbraw/zinc/10/57/70/652105770.db2.gz OCCIATLVXSCEEF-NSHDSACASA-N 1 0 310.369 2.087 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000851681064 652205804 /nfs/dbraw/zinc/20/58/04/652205804.db2.gz MMTYRKCBHMDXDO-CYBMUJFWSA-N 1 0 304.438 2.035 20 10 DECDRO CC(C)COC[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858106721 652256366 /nfs/dbraw/zinc/25/63/66/652256366.db2.gz PQZVSYPAXWOGQL-CYBMUJFWSA-N 1 0 316.392 2.154 20 10 DECDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000858121931 652259952 /nfs/dbraw/zinc/25/99/52/652259952.db2.gz NPGUIJBGFFEFSY-GFCCVEGCSA-N 1 0 321.375 2.035 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1F ZINC000858141433 652263768 /nfs/dbraw/zinc/26/37/68/652263768.db2.gz ONFJTLUJXREWRR-GFCCVEGCSA-N 1 0 306.360 2.401 20 10 DECDRO COC(CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000851899198 652274144 /nfs/dbraw/zinc/27/41/44/652274144.db2.gz ZCZCGMHYYLIHSY-CQSZACIVSA-N 1 0 308.422 2.183 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000858226775 652283848 /nfs/dbraw/zinc/28/38/48/652283848.db2.gz PPCKKMSSSBIKCH-ZWKOTPCHSA-N 1 0 304.434 2.306 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000858292700 652298016 /nfs/dbraw/zinc/29/80/16/652298016.db2.gz LXEZUPRWTKKRHW-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000858294169 652298314 /nfs/dbraw/zinc/29/83/14/652298314.db2.gz LNKZUQGESXNPPV-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000852652810 652433578 /nfs/dbraw/zinc/43/35/78/652433578.db2.gz FMNRPKJWDSCWCU-KRWDZBQOSA-N 1 0 318.465 2.330 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000852882520 652474281 /nfs/dbraw/zinc/47/42/81/652474281.db2.gz KEQCRGBALHQISA-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000853736927 652596108 /nfs/dbraw/zinc/59/61/08/652596108.db2.gz UFMYQKKOUFUSPV-ZDUSSCGKSA-N 1 0 321.421 2.073 20 10 DECDRO COc1ccc(N2CC[C@@H](N[C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217677 652659060 /nfs/dbraw/zinc/65/90/60/652659060.db2.gz OPLGFWJTGFLPQW-HDMKZQKVSA-N 1 0 303.450 2.394 20 10 DECDRO [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230200 652661367 /nfs/dbraw/zinc/66/13/67/652661367.db2.gz JKSZIFWPJMNDNM-MOPGFXCFSA-N 1 0 317.477 2.397 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@]3(O)CCSC3)CC2)cc1 ZINC000305172654 685281139 /nfs/dbraw/zinc/28/11/39/685281139.db2.gz UOJVWGUOTOQTBL-QGZVFWFLSA-N 1 0 322.474 2.122 20 10 DECDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000383560556 685407765 /nfs/dbraw/zinc/40/77/65/685407765.db2.gz IDWWSXSWXZHXPP-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO COC(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000395775060 685460846 /nfs/dbraw/zinc/46/08/46/685460846.db2.gz TZIJJZRKZSGSOO-UHFFFAOYSA-N 1 0 300.358 2.429 20 10 DECDRO COC(=O)CCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000859056288 685645545 /nfs/dbraw/zinc/64/55/45/685645545.db2.gz WENWEABILQKWCW-UHFFFAOYSA-N 1 0 306.406 2.161 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CSCCS1 ZINC000122369349 684114501 /nfs/dbraw/zinc/11/45/01/684114501.db2.gz OLPMSVDQRCJNMT-INIZCTEOSA-N 1 0 324.515 2.461 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000122369137 684114822 /nfs/dbraw/zinc/11/48/22/684114822.db2.gz OLPMSVDQRCJNMT-MRXNPFEDSA-N 1 0 324.515 2.461 20 10 DECDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000130976427 684194910 /nfs/dbraw/zinc/19/49/10/684194910.db2.gz AAQNXZLLFORWPR-XLFHBGCDSA-N 1 0 320.252 2.354 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(O)cc1C ZINC000252734229 685194634 /nfs/dbraw/zinc/19/46/34/685194634.db2.gz HUTJZISEQGFKAG-NVXWUHKLSA-N 1 0 307.390 2.089 20 10 DECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028003 686225783 /nfs/dbraw/zinc/22/57/83/686225783.db2.gz MTAQKGPMFIXTND-STQMWFEESA-N 1 0 313.401 2.429 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862224077 686258422 /nfs/dbraw/zinc/25/84/22/686258422.db2.gz HRYXGMYDCWIENY-SECBINFHSA-N 1 0 314.179 2.150 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000862383958 686287458 /nfs/dbraw/zinc/28/74/58/686287458.db2.gz HQFVJVTWFQIARB-LBPRGKRZSA-N 1 0 322.149 2.357 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1F ZINC000862413547 686296000 /nfs/dbraw/zinc/29/60/00/686296000.db2.gz RAZMKODLFZOBBU-NHYWBVRUSA-N 1 0 323.387 2.131 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1Cl ZINC000862514136 686313584 /nfs/dbraw/zinc/31/35/84/686313584.db2.gz RICSFIFOKYSVIC-BXKDBHETSA-N 1 0 303.811 2.019 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863031437 686422062 /nfs/dbraw/zinc/42/20/62/686422062.db2.gz GRAZCRFHXPBHHN-LYASGUKUSA-N 1 0 316.401 2.244 20 10 DECDRO C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000863544934 686519084 /nfs/dbraw/zinc/51/90/84/686519084.db2.gz FKPOJDCSWFRTDZ-SNVBAGLBSA-N 1 0 306.328 2.427 20 10 DECDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646404 686538990 /nfs/dbraw/zinc/53/89/90/686538990.db2.gz SERFQLMFWVXEKA-CMPLNLGQSA-N 1 0 306.303 2.490 20 10 DECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000864454582 686726346 /nfs/dbraw/zinc/72/63/46/686726346.db2.gz ONMRJXKUYAFSOJ-WFASDCNBSA-N 1 0 304.463 2.262 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ncnn3C(C)C)C2)cc1 ZINC000865621997 687281000 /nfs/dbraw/zinc/28/10/00/687281000.db2.gz ILSILBRXPTVIAM-AWEZNQCLSA-N 1 0 315.421 2.236 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000865682367 687300228 /nfs/dbraw/zinc/30/02/28/687300228.db2.gz DXGCJFYFWXLXOL-CYBMUJFWSA-N 1 0 313.327 2.237 20 10 DECDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000865737899 687317941 /nfs/dbraw/zinc/31/79/41/687317941.db2.gz HEBCRDLPQHGPLQ-SUMWQHHRSA-N 1 0 320.458 2.216 20 10 DECDRO c1cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc2c1OCC2 ZINC000865780816 687331969 /nfs/dbraw/zinc/33/19/69/687331969.db2.gz BAACAZAPEZTTRM-INIZCTEOSA-N 1 0 303.402 2.297 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(N(C)C)cc1 ZINC000866411462 687564900 /nfs/dbraw/zinc/56/49/00/687564900.db2.gz MNQKTQWRGKFSKY-ZBFHGGJFSA-N 1 0 305.466 2.248 20 10 DECDRO CCCC[N@H+](CC(=O)Nc1cccnn1)Cc1ccccc1O ZINC000930350978 694143357 /nfs/dbraw/zinc/14/33/57/694143357.db2.gz LKZFFFLWGGKSFH-UHFFFAOYSA-N 1 0 314.389 2.423 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000868209970 687948228 /nfs/dbraw/zinc/94/82/28/687948228.db2.gz IUNVFMBDNIXPAU-AEGPPILISA-N 1 0 303.406 2.379 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000868209972 687948280 /nfs/dbraw/zinc/94/82/80/687948280.db2.gz IUNVFMBDNIXPAU-CFVMTHIKSA-N 1 0 303.406 2.379 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001018398808 688123425 /nfs/dbraw/zinc/12/34/25/688123425.db2.gz CXOLWPJJRHMFAW-AWEZNQCLSA-N 1 0 308.397 2.442 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)SC)C2)cc1C ZINC001018539386 688169452 /nfs/dbraw/zinc/16/94/52/688169452.db2.gz JFFMARFRNFBQPB-ZFWWWQNUSA-N 1 0 322.474 2.446 20 10 DECDRO OC1([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930691454 694219743 /nfs/dbraw/zinc/21/97/43/694219743.db2.gz BCJDIZQMOVEDEX-SFHVURJKSA-N 1 0 316.445 2.403 20 10 DECDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000870894099 688680099 /nfs/dbraw/zinc/68/00/99/688680099.db2.gz HQKUVSXSIPRTIN-OKILXGFUSA-N 1 0 302.418 2.405 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)c1ccc(N(C)C)cc1 ZINC000872206105 688952062 /nfs/dbraw/zinc/95/20/62/688952062.db2.gz OAOXUPGPOIIWGM-VHSSKADRSA-N 1 0 306.450 2.315 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(O)cc1C ZINC000872688163 689065633 /nfs/dbraw/zinc/06/56/33/689065633.db2.gz LDFLECRDPYFXGD-NWDGAFQWSA-N 1 0 319.323 2.312 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1C ZINC000873053697 689149050 /nfs/dbraw/zinc/14/90/50/689149050.db2.gz GEDFOUMNVGGXMA-HNNXBMFYSA-N 1 0 311.447 2.451 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000873095146 689158134 /nfs/dbraw/zinc/15/81/34/689158134.db2.gz DOXLTMLUUMITLZ-KRWDZBQOSA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)cc1Cn1cccn1 ZINC000873101181 689159319 /nfs/dbraw/zinc/15/93/19/689159319.db2.gz BDVSRHQBWMNPLI-KBPBESRZSA-N 1 0 303.406 2.189 20 10 DECDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2O)cc1 ZINC000873190720 689179680 /nfs/dbraw/zinc/17/96/80/689179680.db2.gz CXARGCQPRIFTHD-SFHVURJKSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000873263128 689196782 /nfs/dbraw/zinc/19/67/82/689196782.db2.gz GKAGKKGQQGCFHI-RVMXOQNASA-N 1 0 305.378 2.482 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873264418 689197409 /nfs/dbraw/zinc/19/74/09/689197409.db2.gz PDMYKPUSKMLXTB-VIRABCJISA-N 1 0 318.417 2.360 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000874310871 689387508 /nfs/dbraw/zinc/38/75/08/689387508.db2.gz NTOBEEGFHNTZAG-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO CC[NH+]1CCC(CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875204214 689589435 /nfs/dbraw/zinc/58/94/35/689589435.db2.gz PAHVMXFOQHJMBS-UHFFFAOYSA-N 1 0 303.406 2.149 20 10 DECDRO C[N@@H+]1CCC[C@H](CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875663574 689669746 /nfs/dbraw/zinc/66/97/46/689669746.db2.gz WLYPGPQLMIUKEJ-CYBMUJFWSA-N 1 0 303.406 2.149 20 10 DECDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506205 689841773 /nfs/dbraw/zinc/84/17/73/689841773.db2.gz HDQSJQXLIMTYMV-RDZAWVCESA-N 1 0 301.434 2.161 20 10 DECDRO Cc1ccc(C[N@@H+]2CCCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000876567621 689859377 /nfs/dbraw/zinc/85/93/77/689859377.db2.gz CODSFMUVBOVKGH-KRWDZBQOSA-N 1 0 304.434 2.387 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876778969 689935108 /nfs/dbraw/zinc/93/51/08/689935108.db2.gz SZGVYUISGDDBGR-LHRNQBEKSA-N 1 0 315.417 2.034 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCC12CC(C1)C[NH2+]2 ZINC000876779198 689935332 /nfs/dbraw/zinc/93/53/32/689935332.db2.gz XLCWOSMIGZBAOV-UHFFFAOYSA-N 1 0 315.417 2.010 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)Cc1cccc(F)c1 ZINC000876873348 689960295 /nfs/dbraw/zinc/96/02/95/689960295.db2.gz DHXXYJQVHKCFNW-UHFFFAOYSA-N 1 0 316.376 2.288 20 10 DECDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876884803 689963703 /nfs/dbraw/zinc/96/37/03/689963703.db2.gz KKEJMPWMXHTMQH-MDPDPZSESA-N 1 0 314.429 2.299 20 10 DECDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877019326 689999197 /nfs/dbraw/zinc/99/91/97/689999197.db2.gz JUXHGCYEPDTUQD-MRXNPFEDSA-N 1 0 319.493 2.468 20 10 DECDRO Cc1cc(C)nc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC000877195889 690043178 /nfs/dbraw/zinc/04/31/78/690043178.db2.gz QDMVOHXYPOLHQG-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c(O)c1 ZINC000877478908 690125381 /nfs/dbraw/zinc/12/53/81/690125381.db2.gz QQSWJMBZFMRAOO-MRXNPFEDSA-N 1 0 301.390 2.369 20 10 DECDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877529154 690142236 /nfs/dbraw/zinc/14/22/36/690142236.db2.gz UQEYBZJEHLPUPY-UHFFFAOYSA-N 1 0 317.477 2.174 20 10 DECDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877553486 690149545 /nfs/dbraw/zinc/14/95/45/690149545.db2.gz TYSAYSMZTIWYFP-HNAYVOBHSA-N 1 0 318.461 2.288 20 10 DECDRO Cc1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000877558607 690151420 /nfs/dbraw/zinc/15/14/20/690151420.db2.gz BQYMHJCKTVVEMS-AWEZNQCLSA-N 1 0 324.421 2.018 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c(O)c1 ZINC000877619876 690170081 /nfs/dbraw/zinc/17/00/81/690170081.db2.gz BADLINYDZBZNLW-KRWDZBQOSA-N 1 0 304.434 2.387 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c(O)c1 ZINC000877646095 690178691 /nfs/dbraw/zinc/17/86/91/690178691.db2.gz CVZDGQAMYVDZQJ-GOSISDBHSA-N 1 0 315.417 2.380 20 10 DECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877654846 690180330 /nfs/dbraw/zinc/18/03/30/690180330.db2.gz WQZGPLSSNZSKOO-MSOLQXFVSA-N 1 0 304.434 2.305 20 10 DECDRO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000877674264 690186363 /nfs/dbraw/zinc/18/63/63/690186363.db2.gz LVGMBBJRULZEES-HNNXBMFYSA-N 1 0 307.413 2.382 20 10 DECDRO COC(=O)c1oc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1C ZINC000877693561 690192881 /nfs/dbraw/zinc/19/28/81/690192881.db2.gz KHIOIXOMKQEZBA-UHFFFAOYSA-N 1 0 319.313 2.099 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCOC1 ZINC000877697943 690194788 /nfs/dbraw/zinc/19/47/88/690194788.db2.gz DCJHOIZOQWHSFJ-GOSISDBHSA-N 1 0 321.417 2.453 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCOC1 ZINC000877697705 690194874 /nfs/dbraw/zinc/19/48/74/690194874.db2.gz ATKDWKRCICCFJQ-SFHVURJKSA-N 1 0 321.417 2.459 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(CCO)(CCO)CC2)cc1 ZINC000879279321 690609365 /nfs/dbraw/zinc/60/93/65/690609365.db2.gz DVKXZGCWOSGHGE-UHFFFAOYSA-N 1 0 320.477 2.490 20 10 DECDRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879650335 690699231 /nfs/dbraw/zinc/69/92/31/690699231.db2.gz VOPMDMOFRNEKGA-LBPRGKRZSA-N 1 0 320.414 2.151 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC=C[C@@H]3CO)cc2)CC1 ZINC000880491428 690911100 /nfs/dbraw/zinc/91/11/00/690911100.db2.gz JFEPVKVJZBFDQG-QGZVFWFLSA-N 1 0 302.418 2.035 20 10 DECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000881428027 691095274 /nfs/dbraw/zinc/09/52/74/691095274.db2.gz BCUZJTSJGQUSAQ-QGZVFWFLSA-N 1 0 318.417 2.028 20 10 DECDRO Cc1cc(C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880385 691377526 /nfs/dbraw/zinc/37/75/26/691377526.db2.gz PGCFMCAPKNSEMS-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883256223 691466552 /nfs/dbraw/zinc/46/65/52/691466552.db2.gz QULPQMYRKVHVCL-AWEZNQCLSA-N 1 0 321.417 2.466 20 10 DECDRO CCN1CC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000883353979 691487058 /nfs/dbraw/zinc/48/70/58/691487058.db2.gz IHERSAJECVHFRI-QGZVFWFLSA-N 1 0 303.450 2.348 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883395971 691496924 /nfs/dbraw/zinc/49/69/24/691496924.db2.gz GIIPDPLWVAVHFD-WCQYABFASA-N 1 0 304.390 2.062 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CC(C)(C)CO2)cc1 ZINC000884010879 691632542 /nfs/dbraw/zinc/63/25/42/691632542.db2.gz NSPPKUBGFAVIGM-HOTGVXAUSA-N 1 0 319.449 2.074 20 10 DECDRO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001045325345 691963609 /nfs/dbraw/zinc/96/36/09/691963609.db2.gz DEFNMRHHEJSUAQ-AWEZNQCLSA-N 1 0 317.393 2.452 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1O ZINC000886231622 692032044 /nfs/dbraw/zinc/03/20/44/692032044.db2.gz HUIITKONVHCUKD-AWEZNQCLSA-N 1 0 305.349 2.233 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)cc1 ZINC000932099516 694546247 /nfs/dbraw/zinc/54/62/47/694546247.db2.gz SNUNEAQOOFCEIU-SFHVURJKSA-N 1 0 317.433 2.463 20 10 DECDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000895328475 692995449 /nfs/dbraw/zinc/99/54/49/692995449.db2.gz GKPFGPYTHOJNIX-HKUYNNGSSA-N 1 0 313.397 2.377 20 10 DECDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000925505147 693285173 /nfs/dbraw/zinc/28/51/73/693285173.db2.gz REELQWUOMUFPCL-SFHVURJKSA-N 1 0 317.477 2.125 20 10 DECDRO COc1ccc(N2CC[C@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925710047 693327993 /nfs/dbraw/zinc/32/79/93/693327993.db2.gz BGXVUYDFVBGTJG-YOEHRIQHSA-N 1 0 301.434 2.148 20 10 DECDRO OC1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000925715119 693328576 /nfs/dbraw/zinc/32/85/76/693328576.db2.gz DJKOSOBILHVLHQ-SFHVURJKSA-N 1 0 315.461 2.022 20 10 DECDRO C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925847429 693352608 /nfs/dbraw/zinc/35/26/08/693352608.db2.gz VONQYYFWCYBBBS-IUIKQTSFSA-N 1 0 305.378 2.483 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926596585 693477334 /nfs/dbraw/zinc/47/73/34/693477334.db2.gz QCCLKAFBVGMGIO-KGLIPLIRSA-N 1 0 301.438 2.471 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC3(OC)OC)C2)cc1 ZINC000926681240 693491979 /nfs/dbraw/zinc/49/19/79/693491979.db2.gz XBVAWZAMQVVKRA-XJKSGUPXSA-N 1 0 306.406 2.015 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1 ZINC000926952606 693534940 /nfs/dbraw/zinc/53/49/40/693534940.db2.gz BUSGJSIFJWXJNI-NSHDSACASA-N 1 0 315.435 2.122 20 10 DECDRO CCOCCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000927090160 693553150 /nfs/dbraw/zinc/55/31/50/693553150.db2.gz NJHLWNSNAJJUHU-INIZCTEOSA-N 1 0 322.449 2.227 20 10 DECDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335727108 1150512813 /nfs/dbraw/zinc/51/28/13/1150512813.db2.gz ZFYHEOLOQUXBKS-KRWDZBQOSA-N 1 0 304.438 2.175 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001336037827 1150598042 /nfs/dbraw/zinc/59/80/42/1150598042.db2.gz YBODFLFECFPMOH-SFHVURJKSA-N 1 0 316.449 2.099 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1 ZINC001343021827 1150656276 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ZINC001218357104 802170866 /nfs/dbraw/zinc/17/08/66/802170866.db2.gz UVIKCDBLBZRNPG-OAHLLOKOSA-N 1 0 320.433 2.453 20 10 DECDRO O=c1cc2[nH]cnc(O[C@H]3C[NH2+]Cc4ccccc43)c-2cc1O ZINC001218490040 802190253 /nfs/dbraw/zinc/19/02/53/802190253.db2.gz QTWUOAIVTQYHGU-INIZCTEOSA-N 1 0 309.325 2.264 20 10 DECDRO CN1CC2(C1)CC[N@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233768746 802203872 /nfs/dbraw/zinc/20/38/72/802203872.db2.gz YHFDCPLHJZQSBF-UHFFFAOYSA-N 1 0 316.323 2.428 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC000309967340 802221977 /nfs/dbraw/zinc/22/19/77/802221977.db2.gz GDEMADKLHHEZRK-INIZCTEOSA-N 1 0 321.465 2.244 20 10 DECDRO CNC(=O)CC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234553147 802413206 /nfs/dbraw/zinc/41/32/06/802413206.db2.gz WTEYOVKNUPLDTM-UHFFFAOYSA-N 1 0 302.374 2.122 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)CCC(=O)N(C)C)c2c1 ZINC001234561823 802415386 /nfs/dbraw/zinc/41/53/86/802415386.db2.gz BZNQKJPHGQIJBZ-UHFFFAOYSA-N 1 0 316.401 2.464 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222244014 802659845 /nfs/dbraw/zinc/65/98/45/802659845.db2.gz RVKFCSOTIFCUIX-LJQANCHMSA-N 1 0 315.461 2.241 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001345393158 1150886849 /nfs/dbraw/zinc/88/68/49/1150886849.db2.gz RXSZRXQCWWNCBU-STQMWFEESA-N 1 0 321.421 2.245 20 10 DECDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(C(=O)[O-])ccc1O ZINC001593285621 994637313 /nfs/dbraw/zinc/63/73/13/994637313.db2.gz HGTBAMOUHQBBTP-RGYTYGDFSA-N 1 0 304.390 2.273 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC001346418034 1150983950 /nfs/dbraw/zinc/98/39/50/1150983950.db2.gz OUETUSILNKSCIV-IJEWVQPXSA-N 1 0 318.465 2.440 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603655789 1070023988 /nfs/dbraw/zinc/02/39/88/1070023988.db2.gz ARJWKJSZCFONDV-NXEZZACHSA-N 1 0 305.407 2.119 20 10 DECDRO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)[NH+](C)C ZINC001546421089 1070262412 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Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001329174674 1148871637 /nfs/dbraw/zinc/87/16/37/1148871637.db2.gz YANDZAQDRHZBBD-GJZGRUSLSA-N 1 0 305.422 2.373 20 10 DECDRO O=C(NCc1ccc(O)cc1O)c1ccc(C[NH+]2CCCC2)o1 ZINC001570462943 1066083047 /nfs/dbraw/zinc/08/30/47/1066083047.db2.gz BUXDIUCNOOMCTA-UHFFFAOYSA-N 1 0 316.357 2.217 20 10 DECDRO O=C(NCc1c(O)cccc1F)C1C[NH+](C2CCCCC2)C1 ZINC001635367087 1078449156 /nfs/dbraw/zinc/44/91/56/1078449156.db2.gz YIRPVQBVDPJJTL-UHFFFAOYSA-N 1 0 306.381 2.412 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccnn2CC2CC2)cc1 ZINC001578424467 1067095787 /nfs/dbraw/zinc/09/57/87/1067095787.db2.gz IAGCGTWMVAMVLD-SFHVURJKSA-N 1 0 313.449 2.149 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001578598758 1067138391 /nfs/dbraw/zinc/13/83/91/1067138391.db2.gz VFGVZOVXIMGSPL-JTQLQIEISA-N 1 0 306.387 2.137 20 10 DECDRO COC(=O)c1ccc(C)c2c1N(C(=O)C1=CC[C@H]([NH3+])C1)CCC2 ZINC001578865669 1067185011 /nfs/dbraw/zinc/18/50/11/1067185011.db2.gz NOZRJUIKMBDIIH-ZDUSSCGKSA-N 1 0 314.385 2.108 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)c1O ZINC001579277271 1067286637 /nfs/dbraw/zinc/28/66/37/1067286637.db2.gz BJTQRMPDFOTFKP-AWEZNQCLSA-N 1 0 306.406 2.315 20 10 DECDRO CSCC[C@H]([NH3+])C(=O)NCc1c(O)ccc2ccccc21 ZINC001579379234 1067319448 /nfs/dbraw/zinc/31/94/48/1067319448.db2.gz YZVBJFBXZFYWOV-AWEZNQCLSA-N 1 0 304.415 2.242 20 10 DECDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272385555 1078845334 /nfs/dbraw/zinc/84/53/34/1078845334.db2.gz BYGIDYNHOGTFDN-UGSOOPFHSA-N 1 0 318.417 2.463 20 10 DECDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272385794 1078845421 /nfs/dbraw/zinc/84/54/21/1078845421.db2.gz FMBMMALOHMLFLY-ACJLOTCBSA-N 1 0 318.417 2.321 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[NH2+]CC23CCCC3)c1 ZINC001521195199 1069216268 /nfs/dbraw/zinc/21/62/68/1069216268.db2.gz OULTUOSFDFQHBO-XHDPSFHLSA-N 1 0 304.390 2.110 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)SC)CC2)cc1C ZINC001483720007 1078865946 /nfs/dbraw/zinc/86/59/46/1078865946.db2.gz UGSYTDBAOFTPMM-ZDUSSCGKSA-N 1 0 322.474 2.494 20 10 DECDRO Cn1c(C(=O)NCc2ccccc2O)ccc1[C@H]1CCCC[NH2+]1 ZINC001521567317 1069253914 /nfs/dbraw/zinc/25/39/14/1069253914.db2.gz QTRLOKXWMCVMBN-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[NH2+]CCC23CCC3)c1 ZINC001521565674 1069254271 /nfs/dbraw/zinc/25/42/71/1069254271.db2.gz JNRMTPONZIYTRB-IUODEOHRSA-N 1 0 318.417 2.358 20 10 DECDRO Cc1cc(Br)cc(CN2CCC[C@@H]3[NH2+]C[C@@H]32)c1O ZINC001235302736 1084380063 /nfs/dbraw/zinc/38/00/63/1084380063.db2.gz JDIQAZTVQDBIOO-STQMWFEESA-N 1 0 311.223 2.399 20 10 DECDRO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC001560074944 1075132388 /nfs/dbraw/zinc/13/23/88/1075132388.db2.gz MFZAIRNRRYGKHF-LBPRGKRZSA-N 1 0 310.353 2.339 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)C2CC2)cc1F ZINC001560310782 1075136599 /nfs/dbraw/zinc/13/65/99/1075136599.db2.gz WEXGOJVGFMYFKF-UHFFFAOYSA-N 1 0 307.413 2.288 20 10 DECDRO C[C@@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001564597402 1075173487 /nfs/dbraw/zinc/17/34/87/1075173487.db2.gz MKKQAFKHWPNGNI-UNEWFSDZSA-N 1 0 316.449 2.159 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C)OC)C2)cc1C ZINC001565838482 1075194335 /nfs/dbraw/zinc/19/43/35/1075194335.db2.gz NJSAEBWFJMEMKA-CWRNSKLLSA-N 1 0 320.433 2.023 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001580711586 1075980336 /nfs/dbraw/zinc/98/03/36/1075980336.db2.gz OWFPSXUMKGFLNO-GLQYFDAESA-N 1 0 304.390 2.025 20 10 DECDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001620800960 1076119354 /nfs/dbraw/zinc/11/93/54/1076119354.db2.gz LLYCPXVHEWALMR-SFHVURJKSA-N 1 0 317.477 2.487 20 10 DECDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001656354782 1080080571 /nfs/dbraw/zinc/08/05/71/1080080571.db2.gz WFXGVVRUDQAEOA-QGZVFWFLSA-N 1 0 317.477 2.487 20 10 DECDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001657078601 1080152678 /nfs/dbraw/zinc/15/26/78/1080152678.db2.gz LMGQRXGEHYESKA-ZDUSSCGKSA-N 1 0 310.413 2.159 20 10 DECDRO COC1(OC)CCOC[C@@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC001657907328 1080189584 /nfs/dbraw/zinc/18/95/84/1080189584.db2.gz ZXDDGEABIBQMIE-KRWDZBQOSA-N 1 0 318.417 2.354 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC001658166941 1080198844 /nfs/dbraw/zinc/19/88/44/1080198844.db2.gz ITMJWLFILQQEOQ-QGZVFWFLSA-N 1 0 306.450 2.452 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c(O)c1 ZINC001659792601 1080250844 /nfs/dbraw/zinc/25/08/44/1080250844.db2.gz UZAUVCQYJJLRNC-OAQYLSRUSA-N 1 0 311.447 2.442 20 10 DECDRO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCF ZINC001269515392 1081272641 /nfs/dbraw/zinc/27/26/41/1081272641.db2.gz GUWZWUNZGMRALI-GFCCVEGCSA-N 1 0 323.372 2.307 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N2CCC3(C[NH+](C)C3)CC2)cc1 ZINC001270932152 1081842670 /nfs/dbraw/zinc/84/26/70/1081842670.db2.gz KZKCARJDEKYYMJ-RMKNXTFCSA-N 1 0 313.445 2.320 20 10 DECDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001205191080 1083487993 /nfs/dbraw/zinc/48/79/93/1083487993.db2.gz VPUNQNWVJHZKMU-IUODEOHRSA-N 1 0 309.841 2.098 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913864 1083678110 /nfs/dbraw/zinc/67/81/10/1083678110.db2.gz LLVHUQYOPVXNIB-KDOFPFPSSA-N 1 0 318.417 2.178 20 10 DECDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)cc1 ZINC001276926173 1083683084 /nfs/dbraw/zinc/68/30/84/1083683084.db2.gz BXFIWXGVOQHYNP-CALCHBBNSA-N 1 0 312.417 2.245 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001277441938 1083971193 /nfs/dbraw/zinc/97/11/93/1083971193.db2.gz RUCNPENRVJFWGU-CRAIPNDOSA-N 1 0 302.418 2.473 20 10 DECDRO O=C(N1CC=CC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277457019 1083981841 /nfs/dbraw/zinc/98/18/41/1083981841.db2.gz FFLVWWRVBZELLG-SUMWQHHRSA-N 1 0 318.804 2.408 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c(O)c1 ZINC001277569051 1084039540 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CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272982459 1085778389 /nfs/dbraw/zinc/77/83/89/1085778389.db2.gz IVXBLLJFNAJTPU-GOSISDBHSA-N 1 0 318.417 2.465 20 10 DECDRO CN1CC[C@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001272989007 1085806951 /nfs/dbraw/zinc/80/69/51/1085806951.db2.gz YJDOXYRGNZQMHJ-LJQANCHMSA-N 1 0 313.445 2.341 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001273049379 1086084319 /nfs/dbraw/zinc/08/43/19/1086084319.db2.gz VQTGVSHQCURJLX-OAHLLOKOSA-N 1 0 302.418 2.357 20 10 DECDRO CCCNC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000701116625 1086352947 /nfs/dbraw/zinc/35/29/47/1086352947.db2.gz HOBVSTPZHUMXGC-UHFFFAOYSA-N 1 0 315.211 2.161 20 10 DECDRO Cc1nccn1CC[NH2+]Cc1c(O)cccc1Br ZINC000706807764 1086651963 /nfs/dbraw/zinc/65/19/63/1086651963.db2.gz DZIBCMQHPHLAOF-UHFFFAOYSA-N 1 0 310.195 2.449 20 10 DECDRO CON1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706842133 1086653426 /nfs/dbraw/zinc/65/34/26/1086653426.db2.gz NZHSUHCEHALMEW-UHFFFAOYSA-N 1 0 315.211 2.270 20 10 DECDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc3c(c2)CCCN3C)C1=O ZINC001273321100 1091036899 /nfs/dbraw/zinc/03/68/99/1091036899.db2.gz NWWIKXZRXMVESX-IBGZPJMESA-N 1 0 313.445 2.266 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001276194066 1091677647 /nfs/dbraw/zinc/67/76/47/1091677647.db2.gz NOWBKKOBNOGBID-SFHVURJKSA-N 1 0 320.433 2.327 20 10 DECDRO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275913823 1092300379 /nfs/dbraw/zinc/30/03/79/1092300379.db2.gz RHWMDWCNJZNSCX-GASCZTMLSA-N 1 0 321.396 2.298 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1Cl ZINC001274216373 1093855307 /nfs/dbraw/zinc/85/53/07/1093855307.db2.gz BUALZZGCHONMIN-INIZCTEOSA-N 1 0 308.809 2.408 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]3CC[C@H]2C[NH2+]3)c(OC)c1 ZINC001236427656 1138361037 /nfs/dbraw/zinc/36/10/37/1138361037.db2.gz IKFYEWDMSJBOLJ-RDJZCZTQSA-N 1 0 303.450 2.478 20 10 DECDRO COc1cc(CN(C)CC[NH+](C)C)c(O)cc1Br ZINC001236744376 1138404987 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CCO[C@@H]1C[C@H]2CN(Cc3c(C)cc(OC)cc3O)CC[N@@H+]2C1 ZINC001236811744 1138437804 /nfs/dbraw/zinc/43/78/04/1138437804.db2.gz SVQCFXLVYONTHQ-GOEBONIOSA-N 1 0 320.433 2.004 20 10 DECDRO C[C@]1(CO)C[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236825641 1138440630 /nfs/dbraw/zinc/44/06/30/1138440630.db2.gz AMXXCHVGWBTLTM-ZWKOTPCHSA-N 1 0 301.386 2.111 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001237048824 1138490030 /nfs/dbraw/zinc/49/00/30/1138490030.db2.gz WWMNAGKVAGLKMX-OAHLLOKOSA-N 1 0 315.373 2.234 20 10 DECDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053193 1138491355 /nfs/dbraw/zinc/49/13/55/1138491355.db2.gz HSCLHMJFCDVWOO-MNOVXSKESA-N 1 0 323.286 2.238 20 10 DECDRO CN1CCN(c2ccc(C[NH+](C)C)cc2Br)CC1 ZINC001237089664 1138502140 /nfs/dbraw/zinc/50/21/40/1138502140.db2.gz JDZSVXSMIPNYSW-UHFFFAOYSA-N 1 0 312.255 2.263 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001237124522 1138508894 /nfs/dbraw/zinc/50/88/94/1138508894.db2.gz CETLOIRLYYJRKO-SNVBAGLBSA-N 1 0 302.296 2.181 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001237173767 1138513758 /nfs/dbraw/zinc/51/37/58/1138513758.db2.gz BIEJHNAVURIMSA-GOSISDBHSA-N 1 0 311.429 2.254 20 10 DECDRO CCn1nnc2c1[C@@H](COC)CN(Cc1c(C)cccc1O)C2 ZINC001237486416 1138653271 /nfs/dbraw/zinc/65/32/71/1138653271.db2.gz RTIVJHIECZTBLL-CYBMUJFWSA-N 1 0 316.405 2.058 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c(OC)c1 ZINC001237675448 1138750063 /nfs/dbraw/zinc/75/00/63/1138750063.db2.gz XOWBJNDJHIMLMB-WFASDCNBSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c(OC)c1 ZINC001237675590 1138750892 /nfs/dbraw/zinc/75/08/92/1138750892.db2.gz YDBMBKKOUZKMSH-YVEFUNNKSA-N 1 0 309.406 2.392 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237679014 1138751806 /nfs/dbraw/zinc/75/18/06/1138751806.db2.gz SOPIOJVFIWBSNM-QGZVFWFLSA-N 1 0 323.389 2.185 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237683735 1138756550 /nfs/dbraw/zinc/75/65/50/1138756550.db2.gz JTPYEOWTLLTUNC-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1cn[nH]c1 ZINC001319732814 1140698073 /nfs/dbraw/zinc/69/80/73/1140698073.db2.gz KGVUOLBVCXPCIT-ZDUSSCGKSA-N 1 0 317.412 2.151 20 10 DECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319950735 1140806058 /nfs/dbraw/zinc/80/60/58/1140806058.db2.gz RMNCPXNAMBIGNX-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO O=C(c1ccc(F)cc1)c1ccccc1NC[C@@]1(O)CC[NH2+]C1 ZINC001245963302 1140839113 /nfs/dbraw/zinc/83/91/13/1140839113.db2.gz KUSLTRNCAMQMOF-GOSISDBHSA-N 1 0 314.360 2.193 20 10 DECDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cnco1 ZINC001320810414 1140933873 /nfs/dbraw/zinc/93/38/73/1140933873.db2.gz UUOGZVLUSSVYOT-UHFFFAOYSA-N 1 0 317.389 2.244 20 10 DECDRO CCOc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246949831 1141166161 /nfs/dbraw/zinc/16/61/61/1141166161.db2.gz QSVSBLNDJROQAN-DOTOQJQBSA-N 1 0 303.450 2.348 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)c(O)c1 ZINC001322130260 1141402346 /nfs/dbraw/zinc/40/23/46/1141402346.db2.gz RFVJYSCNUAURQR-OAHLLOKOSA-N 1 0 323.433 2.306 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001249178449 1141857132 /nfs/dbraw/zinc/85/71/32/1141857132.db2.gz RQTXQGNXTUOXTG-GDBMZVCRSA-N 1 0 313.344 2.380 20 10 DECDRO CCCC[NH+]1CCN(Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201408 1141859072 /nfs/dbraw/zinc/85/90/72/1141859072.db2.gz RVANVXMGPBPHKO-UHFFFAOYSA-N 1 0 320.433 2.025 20 10 DECDRO CCN1CCC([N@H+](C)Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201271 1141859234 /nfs/dbraw/zinc/85/92/34/1141859234.db2.gz MKMYEPMBBQBTIO-UHFFFAOYSA-N 1 0 320.433 2.024 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc(CNCC[NH3+])n2)cc1 ZINC001249266779 1141866234 /nfs/dbraw/zinc/86/62/34/1141866234.db2.gz UYIKUNPBJBOEJI-UHFFFAOYSA-N 1 0 311.389 2.192 20 10 DECDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC1CCOCC1 ZINC001324600444 1142139457 /nfs/dbraw/zinc/13/94/57/1142139457.db2.gz BXCPIJKXNNVCKA-HOCLYGCPSA-N 1 0 305.418 2.394 20 10 DECDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001336933189 1142634756 /nfs/dbraw/zinc/63/47/56/1142634756.db2.gz MFZVXHKEMXLBSO-INIZCTEOSA-N 1 0 316.449 2.475 20 10 DECDRO Oc1cccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)c1O ZINC001253295746 1142862527 /nfs/dbraw/zinc/86/25/27/1142862527.db2.gz GLBMIGUNOGAUEW-INIZCTEOSA-N 1 0 317.385 2.155 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC001254729000 1143316319 /nfs/dbraw/zinc/31/63/19/1143316319.db2.gz BQKQAGFWFTUVDV-NXEZZACHSA-N 1 0 304.312 2.418 20 10 DECDRO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673452 1144265229 /nfs/dbraw/zinc/26/52/29/1144265229.db2.gz UXGJBLOZXMMXNT-KRWDZBQOSA-N 1 0 315.417 2.313 20 10 DECDRO C[NH2+]CCOc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001262035464 1144286928 /nfs/dbraw/zinc/28/69/28/1144286928.db2.gz KNKIUSJKWSRHLV-CYBMUJFWSA-N 1 0 314.385 2.481 20 10 DECDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CC1CC1 ZINC001282504421 1145080652 /nfs/dbraw/zinc/08/06/52/1145080652.db2.gz PCJQUFWUSVGBGV-LLVKDONJSA-N 1 0 317.393 2.309 20 10 DECDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001292011581 1146849207 /nfs/dbraw/zinc/84/92/07/1146849207.db2.gz VESOTGSVSPGWNS-MCIONIFRSA-N 1 0 320.433 2.123 20 10 DECDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCC2)cc1)CC1CC1 ZINC001308308120 1147466068 /nfs/dbraw/zinc/46/60/68/1147466068.db2.gz CTTXDQUKWLNVQL-UHFFFAOYSA-N 1 0 322.474 2.201 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c1O ZINC001308731097 1147484109 /nfs/dbraw/zinc/48/41/09/1147484109.db2.gz GNLGEYTZLCHCNL-OAHLLOKOSA-N 1 0 300.358 2.025 20 10 DECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)O1 ZINC001324849336 1147852942 /nfs/dbraw/zinc/85/29/42/1147852942.db2.gz RIHMMEMLEZNNDF-GDBMZVCRSA-N 1 0 321.440 2.235 20 10 DECDRO COCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001326807544 1148252094 /nfs/dbraw/zinc/25/20/94/1148252094.db2.gz POFLPSJLCKZWAJ-UHFFFAOYSA-N 1 0 321.440 2.094 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092704319 185334076 /nfs/dbraw/zinc/33/40/76/185334076.db2.gz WOMQPGSYZAIHNQ-CYBMUJFWSA-N 1 0 322.405 2.500 20 10 DECDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000418101551 530002696 /nfs/dbraw/zinc/00/26/96/530002696.db2.gz SEXKWQSVNPYACW-CQSZACIVSA-N 1 0 314.433 2.380 20 10 DECDRO C[N@H+](CCN1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000072981010 191263876 /nfs/dbraw/zinc/26/38/76/191263876.db2.gz AYMDZQACNAZCDA-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090849010 355567970 /nfs/dbraw/zinc/56/79/70/355567970.db2.gz SSLYTDYUIZDPAV-MAUKXSAKSA-N 1 0 304.434 2.479 20 10 DECDRO COc1ccc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1 ZINC000593912685 358169899 /nfs/dbraw/zinc/16/98/99/358169899.db2.gz PBYHEZCPCAAHIA-LBPRGKRZSA-N 1 0 314.389 2.004 20 10 DECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000091985019 193136012 /nfs/dbraw/zinc/13/60/12/193136012.db2.gz JSAKRTHVYRIBPN-VIFPVBQESA-N 1 0 316.195 2.396 20 10 DECDRO CC(=O)N1CCC([N@H+](C)Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267704 781984540 /nfs/dbraw/zinc/98/45/40/781984540.db2.gz KKWQOKGUBUHUAG-UHFFFAOYSA-N 1 0 312.797 2.194 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1 ZINC000273598758 130142176 /nfs/dbraw/zinc/14/21/76/130142176.db2.gz ROVAIKPSJGADPG-BLLLJJGKSA-N 1 0 310.463 2.489 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000273783439 130166906 /nfs/dbraw/zinc/16/69/06/130166906.db2.gz TWGUXCPXQMCCEK-NSHDSACASA-N 1 0 313.703 2.457 20 10 DECDRO CCN(CCO)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274436028 130234214 /nfs/dbraw/zinc/23/42/14/130234214.db2.gz TURAQCXOSYLVHU-UHFFFAOYSA-N 1 0 314.429 2.463 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(O)c1O ZINC000274894909 130272155 /nfs/dbraw/zinc/27/21/55/130272155.db2.gz NCZWPCNXQJLGOJ-CYBMUJFWSA-N 1 0 306.406 2.482 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275122632 130293690 /nfs/dbraw/zinc/29/36/90/130293690.db2.gz HWUDQBWRYRUKLX-LLVKDONJSA-N 1 0 316.323 2.201 20 10 DECDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000275131189 130293981 /nfs/dbraw/zinc/29/39/81/130293981.db2.gz KNUAUQDBTNUOTN-VIFPVBQESA-N 1 0 320.286 2.032 20 10 DECDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000278553373 130700510 /nfs/dbraw/zinc/70/05/10/130700510.db2.gz ZODFHGNUIIKYCO-MRXNPFEDSA-N 1 0 312.417 2.114 20 10 DECDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000285271635 131153473 /nfs/dbraw/zinc/15/34/73/131153473.db2.gz UMJUNTXECLUBEJ-AWEZNQCLSA-N 1 0 306.406 2.282 20 10 DECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000285835503 131204194 /nfs/dbraw/zinc/20/41/94/131204194.db2.gz HKNPTSSTSWYCBH-QAPCUYQASA-N 1 0 303.450 2.048 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000288427560 131325188 /nfs/dbraw/zinc/32/51/88/131325188.db2.gz BMRIVGQDBPDPHO-KDOFPFPSSA-N 1 0 315.369 2.375 20 10 DECDRO CN(C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1F ZINC000290220698 131465703 /nfs/dbraw/zinc/46/57/03/131465703.db2.gz QSKYQDGETGTYIH-UHFFFAOYSA-N 1 0 305.397 2.136 20 10 DECDRO CC1CC[NH+](CCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000071932977 401698841 /nfs/dbraw/zinc/69/88/41/401698841.db2.gz ZTKZEKKYOKSSOU-UHFFFAOYSA-N 1 0 305.422 2.266 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000119854032 401968573 /nfs/dbraw/zinc/96/85/73/401968573.db2.gz MRSFDAGJGJQZAR-HIFRSBDPSA-N 1 0 316.449 2.177 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)OCO2 ZINC000152097006 402075176 /nfs/dbraw/zinc/07/51/76/402075176.db2.gz AIASKNUCPUPAJV-UHFFFAOYSA-N 1 0 301.346 2.155 20 10 DECDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccccn1 ZINC000104187471 402199980 /nfs/dbraw/zinc/19/99/80/402199980.db2.gz LTQTVPLLRWSCBW-OAHLLOKOSA-N 1 0 312.417 2.171 20 10 DECDRO CCN(CC)c1ccc(CN(C)CCS(C)(=O)=O)cc1F ZINC000155161718 402247060 /nfs/dbraw/zinc/24/70/60/402247060.db2.gz ZSKRDXGFSPQKPN-UHFFFAOYSA-N 1 0 316.442 2.148 20 10 DECDRO Oc1ccccc1C[N@H+](CCC1OCCO1)C[C@H]1CCCO1 ZINC000124943953 402204690 /nfs/dbraw/zinc/20/46/90/402204690.db2.gz CLVUUYAKXVTPEG-OAHLLOKOSA-N 1 0 307.390 2.136 20 10 DECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700693 402293023 /nfs/dbraw/zinc/29/30/23/402293023.db2.gz CCRCRLGNKHLFMK-OAHLLOKOSA-N 1 0 313.781 2.439 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000228671563 402339165 /nfs/dbraw/zinc/33/91/65/402339165.db2.gz IOSJSGLULPXVRC-JTQLQIEISA-N 1 0 312.797 2.155 20 10 DECDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186202276 402409461 /nfs/dbraw/zinc/40/94/61/402409461.db2.gz NTQVXCVLFHXJMG-MWLCHTKSSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000164458458 402462984 /nfs/dbraw/zinc/46/29/84/402462984.db2.gz WBPQJPFWQFYWEP-CYBMUJFWSA-N 1 0 308.397 2.349 20 10 DECDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000165013660 402471763 /nfs/dbraw/zinc/47/17/63/402471763.db2.gz SOPXHWWIDKUUAX-GJZGRUSLSA-N 1 0 303.450 2.296 20 10 DECDRO CC1CC[NH+](CCCCNC(=O)c2cccc(O)c2O)CC1 ZINC000186945344 402472651 /nfs/dbraw/zinc/47/26/51/402472651.db2.gz QEWWYWXWYWTTHF-UHFFFAOYSA-N 1 0 306.406 2.340 20 10 DECDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000165640633 402477317 /nfs/dbraw/zinc/47/73/17/402477317.db2.gz PWYLLYBYTJSOPS-GOSISDBHSA-N 1 0 311.429 2.100 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(O)c1O ZINC000179387310 402587890 /nfs/dbraw/zinc/58/78/90/402587890.db2.gz PFVHYZJRKNSMHR-HNNXBMFYSA-N 1 0 314.385 2.439 20 10 DECDRO CC[NH+]1CCC(CCNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000179518627 402593800 /nfs/dbraw/zinc/59/38/00/402593800.db2.gz JVXWJYBNPDCVQD-UHFFFAOYSA-N 1 0 306.406 2.258 20 10 DECDRO COc1ccc(OC)c2c1CN(Cc1ccccc1O)C[C@@H]2O ZINC000179554252 402594556 /nfs/dbraw/zinc/59/45/56/402594556.db2.gz YSDFBKZSLGHSOY-HNNXBMFYSA-N 1 0 315.369 2.459 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(c3nc(C)no3)CC2)c1 ZINC000179756187 402599732 /nfs/dbraw/zinc/59/97/32/402599732.db2.gz PHHIDIQVOSLKBL-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000192500237 402733133 /nfs/dbraw/zinc/73/31/33/402733133.db2.gz NKIYRSPTEBAUHX-CXAGYDPISA-N 1 0 322.424 2.301 20 10 DECDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183594829 402779994 /nfs/dbraw/zinc/77/99/94/402779994.db2.gz BEDFQLAUMZUITE-ZDUSSCGKSA-N 1 0 314.385 2.481 20 10 DECDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000278825406 402875811 /nfs/dbraw/zinc/87/58/11/402875811.db2.gz ZXPGXCMYKYALRJ-CQSZACIVSA-N 1 0 304.369 2.023 20 10 DECDRO CCCOc1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c(O)c1 ZINC000278987285 402893622 /nfs/dbraw/zinc/89/36/22/402893622.db2.gz ACVJISHMHJHRBK-HNNXBMFYSA-N 1 0 322.449 2.334 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCO1 ZINC000279141215 402908529 /nfs/dbraw/zinc/90/85/29/402908529.db2.gz XKZRKKULJXHNRV-LSDHHAIUSA-N 1 0 311.353 2.018 20 10 DECDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)cc1)NCC(F)F ZINC000280201612 402974684 /nfs/dbraw/zinc/97/46/84/402974684.db2.gz DVTKYJMYTIALCM-UHFFFAOYSA-N 1 0 311.376 2.148 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)ccc21 ZINC000280805935 403039188 /nfs/dbraw/zinc/03/91/88/403039188.db2.gz LKVVDXKBIKRXJO-VQIMIIECSA-N 1 0 313.445 2.075 20 10 DECDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946046 403052648 /nfs/dbraw/zinc/05/26/48/403052648.db2.gz JFAZWZQNQMHKPB-DZGCQCFKSA-N 1 0 310.413 2.474 20 10 DECDRO CCN(C)c1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268801020 403115151 /nfs/dbraw/zinc/11/51/51/403115151.db2.gz BABMFRJQPZFCCN-MAUKXSAKSA-N 1 0 305.466 2.250 20 10 DECDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268998929 403122464 /nfs/dbraw/zinc/12/24/64/403122464.db2.gz IRGLILDNCYYUAL-ZIAGYGMSSA-N 1 0 310.413 2.474 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282989301 403164901 /nfs/dbraw/zinc/16/49/01/403164901.db2.gz JWESEYCFBQSZIL-GUYCJALGSA-N 1 0 321.417 2.058 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(O)c1O ZINC000277449446 403218762 /nfs/dbraw/zinc/21/87/62/403218762.db2.gz GCMOMLGLQNOYLJ-ZDUSSCGKSA-N 1 0 304.390 2.153 20 10 DECDRO CCNC(=O)C1(C[NH2+]Cc2cccc(OCC)c2O)CCC1 ZINC000276761828 403193021 /nfs/dbraw/zinc/19/30/21/403193021.db2.gz AHTHDYFYLZJFIZ-UHFFFAOYSA-N 1 0 306.406 2.187 20 10 DECDRO COC(=O)CC[N@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000271106449 403265016 /nfs/dbraw/zinc/26/50/16/403265016.db2.gz RZJZUCJZZSSLKD-UHFFFAOYSA-N 1 0 311.378 2.183 20 10 DECDRO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000271204240 403278336 /nfs/dbraw/zinc/27/83/36/403278336.db2.gz QVWGZWNMRGGBJK-LLVKDONJSA-N 1 0 303.189 2.362 20 10 DECDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000293792061 403564654 /nfs/dbraw/zinc/56/46/54/403564654.db2.gz QPJGXWJTYZUZBE-UHFFFAOYSA-N 1 0 323.458 2.315 20 10 DECDRO Cc1ccc(C(=O)NCCCCC[NH+]2CCCC2)c(O)c1O ZINC000294025881 403627789 /nfs/dbraw/zinc/62/77/89/403627789.db2.gz WEBLIHHOAVPVQM-UHFFFAOYSA-N 1 0 306.406 2.402 20 10 DECDRO COCCOC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC000294666797 403724711 /nfs/dbraw/zinc/72/47/11/403724711.db2.gz AOPVWORTXWGOMT-UHFFFAOYSA-N 1 0 323.433 2.305 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](CO)SC)CC2)cc1 ZINC000305138112 403846930 /nfs/dbraw/zinc/84/69/30/403846930.db2.gz PFFOIHSSBXUOGE-DYVFJYSZSA-N 1 0 324.490 2.366 20 10 DECDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290249281 404097463 /nfs/dbraw/zinc/09/74/63/404097463.db2.gz UCCKGNJVZSSLPD-FUHWJXTLSA-N 1 0 315.461 2.319 20 10 DECDRO COC[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296133521 404107831 /nfs/dbraw/zinc/10/78/31/404107831.db2.gz UQAYXEMXDYGOFF-HNNXBMFYSA-N 1 0 320.458 2.481 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCn1ccnc1 ZINC000349192567 404134337 /nfs/dbraw/zinc/13/43/37/404134337.db2.gz REVVHASGHPFHOP-UHFFFAOYSA-N 1 0 311.389 2.183 20 10 DECDRO O=C(NCCCCC[NH+]1CCCC1)NCc1ccccc1O ZINC000296756560 404317558 /nfs/dbraw/zinc/31/75/58/404317558.db2.gz FMYJFXWBUMOAOY-UHFFFAOYSA-N 1 0 305.422 2.458 20 10 DECDRO COCCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000297317211 404551767 /nfs/dbraw/zinc/55/17/67/404551767.db2.gz CUYNGMFOXCSWQC-UHFFFAOYSA-N 1 0 310.350 2.167 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C(F)(F)F)cc1O ZINC000530220042 405776913 /nfs/dbraw/zinc/77/69/13/405776913.db2.gz BDPWGIBUEHXQOZ-DGCLKSJQSA-N 1 0 318.339 2.440 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000368351264 227009580 /nfs/dbraw/zinc/00/95/80/227009580.db2.gz CVIVBDXFZKUPGX-ITGUQSILSA-N 1 0 312.207 2.133 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1OC ZINC000368497061 227011657 /nfs/dbraw/zinc/01/16/57/227011657.db2.gz VAUJJVTURKOQSJ-KRWDZBQOSA-N 1 0 307.390 2.412 20 10 DECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC001348611863 1151175590 /nfs/dbraw/zinc/17/55/90/1151175590.db2.gz LSTCIOFAELBCKW-CYBMUJFWSA-N 1 0 323.437 2.320 20 10 DECDRO C[NH2+]CCc1ccccc1C(=O)N1CCNCc2ccccc21 ZINC000422541653 277272865 /nfs/dbraw/zinc/27/28/65/277272865.db2.gz ORVUKTFSKFAGFX-UHFFFAOYSA-N 1 0 309.413 2.199 20 10 DECDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)OC ZINC000273432466 293106963 /nfs/dbraw/zinc/10/69/63/293106963.db2.gz LFVJQXLABKPKHJ-ONGXEEELSA-N 1 0 318.211 2.467 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)c1O ZINC001349328915 1151241845 /nfs/dbraw/zinc/24/18/45/1151241845.db2.gz ASKLFZBMADDMSU-BPLDGKMQSA-N 1 0 318.417 2.137 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccc(CC[NH3+])cc2)cc1F ZINC001357384877 1152294761 /nfs/dbraw/zinc/29/47/61/1152294761.db2.gz PXWRQUOSZHBHGN-UHFFFAOYSA-N 1 0 315.392 2.323 20 10 DECDRO CN(C)c1ccc(/C=C/CN2CC[NH+](CCCCO)CC2)cc1 ZINC000835027189 649868528 /nfs/dbraw/zinc/86/85/28/649868528.db2.gz DAVAYAIYSAQOES-AATRIKPKSA-N 1 0 317.477 2.156 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418093726 533971533 /nfs/dbraw/zinc/97/15/33/533971533.db2.gz CGWCAKYAMLLEBQ-HIFRSBDPSA-N 1 0 314.433 2.426 20 10 DECDRO CN(C)c1ccc(/C=C\CN2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000835027541 649868712 /nfs/dbraw/zinc/86/87/12/649868712.db2.gz MWOCFFOUZMLISB-WAYWQWQTSA-N 1 0 317.477 2.154 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)COCC2CC2)cc1 ZINC000835035426 649869822 /nfs/dbraw/zinc/86/98/22/649869822.db2.gz CQEGFTNFJTUCNA-OAJJDEHYSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)COCC2CC2)cc1 ZINC000835035419 649869901 /nfs/dbraw/zinc/86/99/01/649869901.db2.gz CQEGFTNFJTUCNA-DDKKJVIOSA-N 1 0 304.434 2.143 20 10 DECDRO CCCN1CCC[N@H+](Cc2cccc(OCC)c2O)CC1=O ZINC000189216207 519852370 /nfs/dbraw/zinc/85/23/70/519852370.db2.gz JRFLDDQAGJEACM-UHFFFAOYSA-N 1 0 306.406 2.235 20 10 DECDRO CCOCCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000267921095 519939025 /nfs/dbraw/zinc/93/90/25/519939025.db2.gz QMTKAUKYDUCZKQ-UHFFFAOYSA-N 1 0 321.465 2.116 20 10 DECDRO CC[NH+](CC)CCSCC(=O)NCCc1ccc(N)cc1 ZINC000236895383 520707695 /nfs/dbraw/zinc/70/76/95/520707695.db2.gz YYDWAOAJDDBQGP-UHFFFAOYSA-N 1 0 309.479 2.003 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000131515241 521155200 /nfs/dbraw/zinc/15/52/00/521155200.db2.gz GFXOAFPJIJPWSC-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO Cc1cccc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c1O ZINC000180447909 524399500 /nfs/dbraw/zinc/39/95/00/524399500.db2.gz YVWHQINMGRSRQC-ZDUSSCGKSA-N 1 0 305.447 2.310 20 10 DECDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161448210 525292439 /nfs/dbraw/zinc/29/24/39/525292439.db2.gz AJCDUTKDAHXHBA-AWEZNQCLSA-N 1 0 321.440 2.407 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000185577929 525365211 /nfs/dbraw/zinc/36/52/11/525365211.db2.gz VEVSGCANNUCLBE-ZDUSSCGKSA-N 1 0 314.385 2.416 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+](CC(N)=O)C(C)C)c1O ZINC000124514294 526156459 /nfs/dbraw/zinc/15/64/59/526156459.db2.gz KNXSASOQIHETPE-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188819097 526341497 /nfs/dbraw/zinc/34/14/97/526341497.db2.gz VMAXPJIGWVKWBM-CABZTGNLSA-N 1 0 300.196 2.405 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000375235717 528299491 /nfs/dbraw/zinc/29/94/91/528299491.db2.gz BVCMWFYNAPNFRO-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000835046407 649871407 /nfs/dbraw/zinc/87/14/07/649871407.db2.gz WIRBQHYTVSNMCG-PLNGDYQASA-N 1 0 304.434 2.239 20 10 DECDRO COCCn1cc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835049080 649872034 /nfs/dbraw/zinc/87/20/34/649872034.db2.gz FHKUJEFIXUPIBK-PLNGDYQASA-N 1 0 314.433 2.399 20 10 DECDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052493 649872481 /nfs/dbraw/zinc/87/24/81/649872481.db2.gz DOFOWQJFWRHJIF-GXMNPTEKSA-N 1 0 322.474 2.321 20 10 DECDRO CC(C)OC[C@@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054832 649873001 /nfs/dbraw/zinc/87/30/01/649873001.db2.gz ZKAVQDVUWHYADZ-HPFMTEOYSA-N 1 0 306.450 2.484 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835074703 649875709 /nfs/dbraw/zinc/87/57/09/649875709.db2.gz TVHQTVSKFXFARZ-DZGCQCFKSA-N 1 0 304.390 2.034 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000311955044 625729348 /nfs/dbraw/zinc/72/93/48/625729348.db2.gz MGMMKFBNCYCBKW-GFCCVEGCSA-N 1 0 303.811 2.055 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840909351 625563796 /nfs/dbraw/zinc/56/37/96/625563796.db2.gz QPNOYAMNOJLBAQ-NSHDSACASA-N 1 0 311.813 2.247 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnco3)C2)cc1C ZINC001020444927 622665165 /nfs/dbraw/zinc/66/51/65/622665165.db2.gz XWLYNGZGFIQRHY-HDJSIYSDSA-N 1 0 315.373 2.042 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)C2CC=CC2)[NH+](C)C)cc1 ZINC000891250487 623795618 /nfs/dbraw/zinc/79/56/18/623795618.db2.gz 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324.444 2.403 20 10 DECDRO CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841073470 650423159 /nfs/dbraw/zinc/42/31/59/650423159.db2.gz UVFNKENQEFEHDV-KRWDZBQOSA-N 1 0 303.450 2.001 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000896313665 638465115 /nfs/dbraw/zinc/46/51/15/638465115.db2.gz CSMLXDFXOFJJQA-UHFFFAOYSA-N 1 0 307.419 2.209 20 10 DECDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841080069 650424838 /nfs/dbraw/zinc/42/48/38/650424838.db2.gz QCQVOUKCCKWWBZ-GFCCVEGCSA-N 1 0 311.223 2.386 20 10 DECDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)COC(=O)N1 ZINC000896394546 638500937 /nfs/dbraw/zinc/50/09/37/638500937.db2.gz FKTARYKJSGSKOJ-WBMJQRKESA-N 1 0 308.353 2.242 20 10 DECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000748242564 638534319 /nfs/dbraw/zinc/53/43/19/638534319.db2.gz PUZVTDFFUFBHKX-SFHVURJKSA-N 1 0 320.433 2.345 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1 ZINC000896460937 638535186 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CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756761934 639692733 /nfs/dbraw/zinc/69/27/33/639692733.db2.gz VJYDLHHCCKERIW-GMXVVIOVSA-N 1 0 321.396 2.473 20 10 DECDRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)S(C)(=O)=O ZINC000756770723 639693892 /nfs/dbraw/zinc/69/38/92/639693892.db2.gz ZVDSHJPITHRPIZ-RYUDHWBXSA-N 1 0 311.447 2.355 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000841654087 650530191 /nfs/dbraw/zinc/53/01/91/650530191.db2.gz MRLGNIDQVWGIGD-UHFFFAOYSA-N 1 0 324.428 2.355 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841652766 650530352 /nfs/dbraw/zinc/53/03/52/650530352.db2.gz GARQVJHITGGIGS-HIFRSBDPSA-N 1 0 304.438 2.021 20 10 DECDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729050110 640000494 /nfs/dbraw/zinc/00/04/94/640000494.db2.gz WHKOEWPQOJYSLB-QWHCGFSZSA-N 1 0 323.437 2.491 20 10 DECDRO C[NH+](C)CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897423310 640091601 /nfs/dbraw/zinc/09/16/01/640091601.db2.gz NHCMISLQCWTYLI-UHFFFAOYSA-N 1 0 320.414 2.479 20 10 DECDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709427 650546879 /nfs/dbraw/zinc/54/68/79/650546879.db2.gz FSPSFXBUFCZNBI-JKSUJKDBSA-N 1 0 316.449 2.356 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1F ZINC000841761348 650558356 /nfs/dbraw/zinc/55/83/56/650558356.db2.gz PGBCFYYXNKPOQD-CQSZACIVSA-N 1 0 322.428 2.223 20 10 DECDRO CN(C)c1ccc(CNC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760467795 640196459 /nfs/dbraw/zinc/19/64/59/640196459.db2.gz MNLDAGJNGYMVGK-UHFFFAOYSA-N 1 0 320.506 2.059 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000760552007 640205466 /nfs/dbraw/zinc/20/54/66/640205466.db2.gz RGRGBBOCFVKBKS-HNNXBMFYSA-N 1 0 303.406 2.045 20 10 DECDRO CCn1nccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222375 640287526 /nfs/dbraw/zinc/28/75/26/640287526.db2.gz UJGMWILYWOLTOL-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761223893 640287620 /nfs/dbraw/zinc/28/76/20/640287620.db2.gz UHKUAPMUWRXVJD-GXTWGEPZSA-N 1 0 315.797 2.338 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000841794533 650566090 /nfs/dbraw/zinc/56/60/90/650566090.db2.gz YVPPJEFITRZMCI-UHFFFAOYSA-N 1 0 318.465 2.459 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000841827058 650573092 /nfs/dbraw/zinc/57/30/92/650573092.db2.gz KCGJQQBPESHSRC-ZBFHGGJFSA-N 1 0 318.465 2.248 20 10 DECDRO CC(C)[C@@H]([NH3+])CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841848730 650578677 /nfs/dbraw/zinc/57/86/77/650578677.db2.gz QNDYBVPHEHTDPM-ZDUSSCGKSA-N 1 0 318.446 2.029 20 10 DECDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787913 640459929 /nfs/dbraw/zinc/45/99/29/640459929.db2.gz OADRMJVFLFQBCG-APWZRJJASA-N 1 0 317.477 2.394 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841856950 650582395 /nfs/dbraw/zinc/58/23/95/650582395.db2.gz MCMSQUMHMSOEHD-GHMZBOCLSA-N 1 0 314.480 2.004 20 10 DECDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881601 650591083 /nfs/dbraw/zinc/59/10/83/650591083.db2.gz AEXVADRWXFMCQJ-ZDUSSCGKSA-N 1 0 304.438 2.112 20 10 DECDRO Nc1ccc(CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000841886046 650593530 /nfs/dbraw/zinc/59/35/30/650593530.db2.gz JZTSBJLJRCTOQX-QGZVFWFLSA-N 1 0 316.449 2.127 20 10 DECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841910346 650599912 /nfs/dbraw/zinc/59/99/12/650599912.db2.gz FZLQHISSSAYKEE-CQSZACIVSA-N 1 0 306.454 2.231 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765766079 640816974 /nfs/dbraw/zinc/81/69/74/640816974.db2.gz BAECDUNBYONZTB-UKRRQHHQSA-N 1 0 307.413 2.017 20 10 DECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955314 650611084 /nfs/dbraw/zinc/61/10/84/650611084.db2.gz ZANPWRYLUARYGD-MRXNPFEDSA-N 1 0 318.465 2.185 20 10 DECDRO Nc1ccc(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000841956524 650611703 /nfs/dbraw/zinc/61/17/03/650611703.db2.gz GMANKJNEYXILQC-QGZVFWFLSA-N 1 0 316.449 2.081 20 10 DECDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841956065 650611817 /nfs/dbraw/zinc/61/18/17/650611817.db2.gz TYHBLFAKQBUIQT-CYBMUJFWSA-N 1 0 312.417 2.330 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841965741 650615345 /nfs/dbraw/zinc/61/53/45/650615345.db2.gz IPQSXALMRASGQD-QGZVFWFLSA-N 1 0 318.465 2.410 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841987393 650620239 /nfs/dbraw/zinc/62/02/39/650620239.db2.gz MWSHLEYFCWENHR-ZFWWWQNUSA-N 1 0 304.438 2.035 20 10 DECDRO CC[N@H+](CCC(=O)NC)Cc1cc(Cl)cc(OC)c1O ZINC000897709938 640908122 /nfs/dbraw/zinc/90/81/22/640908122.db2.gz MAIGLDUOIPJHDG-UHFFFAOYSA-N 1 0 300.786 2.012 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000841996224 650622002 /nfs/dbraw/zinc/62/20/02/650622002.db2.gz RVIQWQIVPMRGBS-RYUDHWBXSA-N 1 0 309.410 2.279 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC/C=C\C[NH3+] ZINC000841996073 650622143 /nfs/dbraw/zinc/62/21/43/650622143.db2.gz LZSPESXQPHTKJU-ARJAWSKDSA-N 1 0 316.449 2.333 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]Cc2cnc3n2CCOC3)c1O ZINC000898268134 641076955 /nfs/dbraw/zinc/07/69/55/641076955.db2.gz WAEAYGDPEVNJHB-UHFFFAOYSA-N 1 0 323.780 2.071 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(OCC3CC3)CC1)[C@H](O)CO2 ZINC000768464778 641084538 /nfs/dbraw/zinc/08/45/38/641084538.db2.gz ACKMRTBSYJZUKW-QGZVFWFLSA-N 1 0 319.401 2.209 20 10 DECDRO O=C1OCC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CCN12 ZINC000768464871 641084975 /nfs/dbraw/zinc/08/49/75/641084975.db2.gz FMZFVUVOKOCSLD-INIZCTEOSA-N 1 0 316.401 2.298 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769467412 641244609 /nfs/dbraw/zinc/24/46/09/641244609.db2.gz TWGGROCPEPMSHP-IAGOWNOFSA-N 1 0 317.477 2.438 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000769469370 641246697 /nfs/dbraw/zinc/24/66/97/641246697.db2.gz XESUOTCHUBBTNN-INIZCTEOSA-N 1 0 324.490 2.399 20 10 DECDRO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000769934799 641310503 /nfs/dbraw/zinc/31/05/03/641310503.db2.gz PMTZCPHUXIYZMS-KRWDZBQOSA-N 1 0 318.442 2.408 20 10 DECDRO CCC[C@@H]1CN(Cc2c(O)cccc2OC)CC[N@@H+]1CCOC ZINC000770284461 641353663 /nfs/dbraw/zinc/35/36/63/641353663.db2.gz RAHSNNIUKOKTRM-OAHLLOKOSA-N 1 0 322.449 2.334 20 10 DECDRO CCn1nc(C)c(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000841043681 641451436 /nfs/dbraw/zinc/45/14/36/641451436.db2.gz QAINFLPTKNAPNC-GOSISDBHSA-N 1 0 315.465 2.375 20 10 DECDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000730105255 641472896 /nfs/dbraw/zinc/47/28/96/641472896.db2.gz FDCALSJNZKSCHF-UHFFFAOYSA-N 1 0 321.490 2.198 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)c1O ZINC000927103411 641629132 /nfs/dbraw/zinc/62/91/32/641629132.db2.gz PTZZLXXYSNDKCF-ZFWWWQNUSA-N 1 0 320.433 2.305 20 10 DECDRO CCn1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451450 641663149 /nfs/dbraw/zinc/66/31/49/641663149.db2.gz KZYXTMMPOQQLNB-GOSISDBHSA-N 1 0 315.465 2.362 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccnn2C)c2c1c(F)ccc2O ZINC000927137260 641708803 /nfs/dbraw/zinc/70/88/03/641708803.db2.gz VELPFTBTXTYOKN-GLXFQSAKSA-N 1 0 305.353 2.136 20 10 DECDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccccc1O ZINC000898588149 641713305 /nfs/dbraw/zinc/71/33/05/641713305.db2.gz CXGPHPDYCCTYRZ-CYBMUJFWSA-N 1 0 305.422 2.484 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC23CC3)[NH+](C)C)cc1 ZINC000899097680 641930852 /nfs/dbraw/zinc/93/08/52/641930852.db2.gz DYTYQTCOTLMLNP-JKSUJKDBSA-N 1 0 316.449 2.207 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000775059481 642001413 /nfs/dbraw/zinc/00/14/13/642001413.db2.gz QOBSXZIIVXMPIO-LBPRGKRZSA-N 1 0 310.350 2.044 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=S)NC2CCC2)[NH+](C)C)cc1 ZINC000899724009 642149996 /nfs/dbraw/zinc/14/99/96/642149996.db2.gz ISJOEUDEMLRNMW-INIZCTEOSA-N 1 0 320.506 2.372 20 10 DECDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000776774974 642207112 /nfs/dbraw/zinc/20/71/12/642207112.db2.gz NNSRSRLPIJZWTK-AWEZNQCLSA-N 1 0 316.405 2.434 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000776869742 642214089 /nfs/dbraw/zinc/21/40/89/642214089.db2.gz ZGDKEXDHAMVPKD-UKPHBRMFSA-N 1 0 309.406 2.172 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC000899982672 642227545 /nfs/dbraw/zinc/22/75/45/642227545.db2.gz JECAWSUZGRRQGY-IRXDYDNUSA-N 1 0 301.434 2.386 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000842472801 650748538 /nfs/dbraw/zinc/74/85/38/650748538.db2.gz LWIWTQQPXMFUJK-XHDPSFHLSA-N 1 0 308.809 2.432 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000779030866 642456974 /nfs/dbraw/zinc/45/69/74/642456974.db2.gz XTWZFINIFKZDSD-RKDXNWHRSA-N 1 0 315.211 2.378 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1)[C@H](O)CO2 ZINC000781150519 642720107 /nfs/dbraw/zinc/72/01/07/642720107.db2.gz DWFMSEJKTDMQDL-ZWNOBZJWSA-N 1 0 315.316 2.022 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]3C)CC2)cc1 ZINC000783227081 642983882 /nfs/dbraw/zinc/98/38/82/642983882.db2.gz SRCSANBZZUMGEF-CRAIPNDOSA-N 1 0 303.450 2.205 20 10 DECDRO CC(C)CCC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000783626265 643029859 /nfs/dbraw/zinc/02/98/59/643029859.db2.gz MEHUJPWXJIWXHI-UHFFFAOYSA-N 1 0 324.490 2.447 20 10 DECDRO C[C@@H](NCC1([NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000902416930 643032568 /nfs/dbraw/zinc/03/25/68/643032568.db2.gz PRFUDVQDVGHDAB-GFCCVEGCSA-N 1 0 309.841 2.319 20 10 DECDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000783722834 643042045 /nfs/dbraw/zinc/04/20/45/643042045.db2.gz IZSSOVFKQVTRHP-AWEZNQCLSA-N 1 0 323.456 2.169 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783738959 643044452 /nfs/dbraw/zinc/04/44/52/643044452.db2.gz DHHAHLFIGQEBTI-SMDDNHRTSA-N 1 0 312.207 2.277 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)ccc21 ZINC000903083361 643243201 /nfs/dbraw/zinc/24/32/01/643243201.db2.gz FTIZEPUAWZHGGD-QZTJIDSGSA-N 1 0 302.418 2.107 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]CCCCO)ccc1N1CCCCC1 ZINC000785533706 643246246 /nfs/dbraw/zinc/24/62/46/643246246.db2.gz FMNOURPRDIAZIJ-UHFFFAOYSA-N 1 0 307.394 2.447 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903303244 643311288 /nfs/dbraw/zinc/31/12/88/643311288.db2.gz NKPAMBXRMBUZRM-VBQJREDUSA-N 1 0 321.440 2.406 20 10 DECDRO COCCN(C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000903439555 643349855 /nfs/dbraw/zinc/34/98/55/643349855.db2.gz KJQASKAPLZFVOG-KGLIPLIRSA-N 1 0 308.422 2.284 20 10 DECDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccn(C)n1 ZINC000903447765 643354994 /nfs/dbraw/zinc/35/49/94/643354994.db2.gz CEPGSHBEVLMOSE-RDTXWAMCSA-N 1 0 315.465 2.440 20 10 DECDRO CN(C)c1ccc([C@H](CN[C@@H]2CCn3ccnc32)[NH+](C)C)cc1 ZINC000903449149 643356005 /nfs/dbraw/zinc/35/60/05/643356005.db2.gz VSJAYPNXHOZCNR-SJORKVTESA-N 1 0 313.449 2.286 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000786943880 643431341 /nfs/dbraw/zinc/43/13/41/643431341.db2.gz BEKSXBDDBSPYBU-JOYOIKCWSA-N 1 0 313.394 2.104 20 10 DECDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000788383947 643603253 /nfs/dbraw/zinc/60/32/53/643603253.db2.gz UNGIJJSDTLEPQS-GOSISDBHSA-N 1 0 318.417 2.107 20 10 DECDRO CCn1cnc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000904436026 643667587 /nfs/dbraw/zinc/66/75/87/643667587.db2.gz FNOREBZZPXERFD-CQSZACIVSA-N 1 0 300.406 2.280 20 10 DECDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000790618513 643873687 /nfs/dbraw/zinc/87/36/87/643873687.db2.gz ILZRHRLCMIFOEJ-TZMCWYRMSA-N 1 0 301.814 2.293 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000790758793 643890142 /nfs/dbraw/zinc/89/01/42/643890142.db2.gz GDIYEPOHFOWAQN-HUUCEWRRSA-N 1 0 311.422 2.074 20 10 DECDRO COc1cc(O)c(CN(CC[NH3+])Cc2ccccc2)cc1OC ZINC000843059852 650880960 /nfs/dbraw/zinc/88/09/60/650880960.db2.gz RSCZFERJHCSSRT-UHFFFAOYSA-N 1 0 316.401 2.370 20 10 DECDRO CCCN(CCC)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000843069229 650883862 /nfs/dbraw/zinc/88/38/62/650883862.db2.gz QBHBWSZFTRILPB-SFHVURJKSA-N 1 0 305.466 2.473 20 10 DECDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792974392 644175941 /nfs/dbraw/zinc/17/59/41/644175941.db2.gz NFBOYNPEKPZFKS-AWEZNQCLSA-N 1 0 320.355 2.258 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000793215714 644209793 /nfs/dbraw/zinc/20/97/93/644209793.db2.gz MNSGRFWPKUSFIO-NSHDSACASA-N 1 0 310.394 2.404 20 10 DECDRO Fc1cc(C[NH2+]CCN2CC=CCC2)ccc1N1CCOCC1 ZINC000793321198 644234110 /nfs/dbraw/zinc/23/41/10/644234110.db2.gz ZVKWNVNIIUXCCL-UHFFFAOYSA-N 1 0 319.424 2.014 20 10 DECDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1cc2c(cc1O)OCO2 ZINC000843130133 650902855 /nfs/dbraw/zinc/90/28/55/650902855.db2.gz YGSCVXXMALTETF-HNNXBMFYSA-N 1 0 312.369 2.179 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1 ZINC000793397146 644245739 /nfs/dbraw/zinc/24/57/39/644245739.db2.gz WWZOOQRVOYUMLE-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000793591023 644276961 /nfs/dbraw/zinc/27/69/61/644276961.db2.gz QKJRSBKOOFZQJA-IRXDYDNUSA-N 1 0 319.493 2.420 20 10 DECDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000794378509 644405525 /nfs/dbraw/zinc/40/55/25/644405525.db2.gz WVRWDDIIKZBHSH-AVGNSLFASA-N 1 0 306.406 2.278 20 10 DECDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000794658627 644455556 /nfs/dbraw/zinc/45/55/56/644455556.db2.gz CKRHVYJMWDHGNY-FZKQIMNGSA-N 1 0 314.385 2.320 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907274997 644488927 /nfs/dbraw/zinc/48/89/27/644488927.db2.gz UKSQZOWWONMNPY-SNPRPXQTSA-N 1 0 318.417 2.162 20 10 DECDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000907764993 644636367 /nfs/dbraw/zinc/63/63/67/644636367.db2.gz YVARGPBHXFTLHQ-UHFFFAOYSA-N 1 0 318.398 2.090 20 10 DECDRO CCOc1ccc(C[NH2+]CC2CCN(C(=O)OC)CC2)c(O)c1 ZINC000796509548 644748242 /nfs/dbraw/zinc/74/82/42/644748242.db2.gz HYQIPDJGHZXCNK-UHFFFAOYSA-N 1 0 322.405 2.359 20 10 DECDRO CC1CCN(C(=O)CN2CCCc3cc(C[NH3+])ccc32)CC1 ZINC000843349689 650954619 /nfs/dbraw/zinc/95/46/19/650954619.db2.gz IQWPHGFPGUROSH-UHFFFAOYSA-N 1 0 301.434 2.156 20 10 DECDRO C[C@H](C(=O)N1CCCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350317 650955057 /nfs/dbraw/zinc/95/50/57/650955057.db2.gz MKMGQYCNRMVHAO-CQSZACIVSA-N 1 0 301.434 2.299 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000843484606 650982816 /nfs/dbraw/zinc/98/28/16/650982816.db2.gz AFTUALCQJQRSLT-WMLDXEAASA-N 1 0 303.450 2.488 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)Cc2ccccc2)c1 ZINC000799739613 645216450 /nfs/dbraw/zinc/21/64/50/645216450.db2.gz MJPUDIPHQBTHKQ-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO Fc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1N1CCOCC1 ZINC000800538295 645286182 /nfs/dbraw/zinc/28/61/82/645286182.db2.gz VSZWTTPWTRBXFG-UHFFFAOYSA-N 1 0 320.408 2.417 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000839917781 645296347 /nfs/dbraw/zinc/29/63/47/645296347.db2.gz IANQGLQGHZXFFF-OAHLLOKOSA-N 1 0 305.466 2.448 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000105263378 651000044 /nfs/dbraw/zinc/00/00/44/651000044.db2.gz GZRMQABEONZZAS-VXGBXAGGSA-N 1 0 321.421 2.244 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000803089823 645604293 /nfs/dbraw/zinc/60/42/93/645604293.db2.gz KDPQKZATOBIOTK-NSHDSACASA-N 1 0 311.341 2.107 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000806662544 645859370 /nfs/dbraw/zinc/85/93/70/645859370.db2.gz DIAHYFUGYRUFFQ-WFASDCNBSA-N 1 0 309.479 2.271 20 10 DECDRO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000840098922 645961055 /nfs/dbraw/zinc/96/10/55/645961055.db2.gz XSRRIZRIYSCXRY-NVXWUHKLSA-N 1 0 307.390 2.065 20 10 DECDRO CSCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)N(C)C ZINC000808438993 646084735 /nfs/dbraw/zinc/08/47/35/646084735.db2.gz TUZDXMLGCCTIPS-LBPRGKRZSA-N 1 0 316.854 2.345 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)ccc3O)[C@H]2C1 ZINC000808445804 646086154 /nfs/dbraw/zinc/08/61/54/646086154.db2.gz ZXWCKXDRMJMCTI-BHYGNILZSA-N 1 0 302.418 2.437 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000808699346 646130260 /nfs/dbraw/zinc/13/02/60/646130260.db2.gz WYNNOPQSLCKLSP-YGRLFVJLSA-N 1 0 309.797 2.472 20 10 DECDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000808725787 646133058 /nfs/dbraw/zinc/13/30/58/646133058.db2.gz FEJJWOWRXLVOJR-CMPLNLGQSA-N 1 0 315.410 2.492 20 10 DECDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840175546 646226574 /nfs/dbraw/zinc/22/65/74/646226574.db2.gz WCYWGPAHODSHCI-OAHLLOKOSA-N 1 0 302.418 2.181 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697821 646265664 /nfs/dbraw/zinc/26/56/64/646265664.db2.gz PBAVMUWQNBVHLI-JQWIXIFHSA-N 1 0 319.323 2.394 20 10 DECDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809729933 646269571 /nfs/dbraw/zinc/26/95/71/646269571.db2.gz SZYXSIVLTXRHCM-UHFFFAOYSA-N 1 0 309.429 2.046 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CN(C)C1CC1 ZINC000809935883 646301943 /nfs/dbraw/zinc/30/19/43/646301943.db2.gz NNBHKJDPUWYOCE-LJQANCHMSA-N 1 0 319.493 2.418 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810216213 646340289 /nfs/dbraw/zinc/34/02/89/646340289.db2.gz FUHSPPDKVNRHJM-WCQYABFASA-N 1 0 320.355 2.374 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000057660754 646518055 /nfs/dbraw/zinc/51/80/55/646518055.db2.gz GETWPSQGEZJKNV-UHFFFAOYSA-N 1 0 318.465 2.210 20 10 DECDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646621 646518101 /nfs/dbraw/zinc/51/81/01/646518101.db2.gz QLKWDUROLJYPEP-UHFFFAOYSA-N 1 0 324.444 2.423 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCn3cccn3)CC2)cc1 ZINC000812825986 646701821 /nfs/dbraw/zinc/70/18/21/646701821.db2.gz UYMSTQVOTRBKMR-UHFFFAOYSA-N 1 0 300.406 2.150 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COC[C@@H]1CCCO1 ZINC000174373098 646806062 /nfs/dbraw/zinc/80/60/62/646806062.db2.gz YXGUTPWVJSWCEU-IRXDYDNUSA-N 1 0 323.433 2.161 20 10 DECDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000814173669 646857493 /nfs/dbraw/zinc/85/74/93/646857493.db2.gz NXRAVEANTIESRT-MFKMUULPSA-N 1 0 311.223 2.291 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000816667609 647166445 /nfs/dbraw/zinc/16/64/45/647166445.db2.gz RHCCPARQVMSYIR-ROUUACIJSA-N 1 0 322.424 2.301 20 10 DECDRO O=C(NCc1ccccc1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000816912180 647196491 /nfs/dbraw/zinc/19/64/91/647196491.db2.gz NKQNJLLYMGIMSS-OAHLLOKOSA-N 1 0 320.458 2.226 20 10 DECDRO C[C@@H](CNC(=O)NCc1c(O)cccc1F)C[NH+]1CCCC1 ZINC000914242992 647233364 /nfs/dbraw/zinc/23/33/64/647233364.db2.gz AWAXWQKHQLSMMQ-LBPRGKRZSA-N 1 0 309.385 2.062 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000914254150 647241083 /nfs/dbraw/zinc/24/10/83/647241083.db2.gz ALTOACGQUWYHDX-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000152704996 647251702 /nfs/dbraw/zinc/25/17/02/647251702.db2.gz GFXOAFPJIJPWSC-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c(O)cccc1F ZINC000914340600 647269222 /nfs/dbraw/zinc/26/92/22/647269222.db2.gz FPWXBVRKIKJCBY-OLZOCXBDSA-N 1 0 323.412 2.451 20 10 DECDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000817365415 647277418 /nfs/dbraw/zinc/27/74/18/647277418.db2.gz LMJTXHPVOPJKIW-AWEZNQCLSA-N 1 0 306.406 2.106 20 10 DECDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C)CC1=O ZINC000817409679 647287862 /nfs/dbraw/zinc/28/78/62/647287862.db2.gz DQGJEPRGZSPIES-OAHLLOKOSA-N 1 0 303.450 2.409 20 10 DECDRO COc1c([O-])c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865067 647368673 /nfs/dbraw/zinc/36/86/73/647368673.db2.gz NWEWEIXIIKHAIE-LOWVWBTDSA-N 1 0 323.393 2.114 20 10 DECDRO C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817893084 647373523 /nfs/dbraw/zinc/37/35/23/647373523.db2.gz DNICTRBYGNIUFI-GUYCJALGSA-N 1 0 321.440 2.017 20 10 DECDRO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000817892842 647373762 /nfs/dbraw/zinc/37/37/62/647373762.db2.gz WERZZUVMYDRIFX-RKVPGOIHSA-N 1 0 303.450 2.314 20 10 DECDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000817892845 647373858 /nfs/dbraw/zinc/37/38/58/647373858.db2.gz WERZZUVMYDRIFX-RLFYNMQTSA-N 1 0 303.450 2.314 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000817940759 647388267 /nfs/dbraw/zinc/38/82/67/647388267.db2.gz HSEDJVJESAFDOI-KRWDZBQOSA-N 1 0 319.449 2.028 20 10 DECDRO CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817943336 647389707 /nfs/dbraw/zinc/38/97/07/647389707.db2.gz UNYRWZLWVHAERJ-JKSUJKDBSA-N 1 0 301.438 2.227 20 10 DECDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967489 647395641 /nfs/dbraw/zinc/39/56/41/647395641.db2.gz JMIDOYAWODKPIP-GRDNDAEWSA-N 1 0 321.440 2.311 20 10 DECDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000818651324 647495120 /nfs/dbraw/zinc/49/51/20/647495120.db2.gz KNVFXTCCFLNCFD-IAGOWNOFSA-N 1 0 314.433 2.132 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000818997222 647561642 /nfs/dbraw/zinc/56/16/42/647561642.db2.gz VDPJSMMWYPQIJY-KRWDZBQOSA-N 1 0 301.361 2.454 20 10 DECDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1ccc(F)cn1 ZINC000819064233 647576107 /nfs/dbraw/zinc/57/61/07/647576107.db2.gz UTWLVFYOXMWIAV-LBPRGKRZSA-N 1 0 313.423 2.483 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)C2)cc1 ZINC000819380632 647647297 /nfs/dbraw/zinc/64/72/97/647647297.db2.gz QYGCNXQGLOTDKJ-SMDDNHRTSA-N 1 0 318.339 2.034 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000821064741 647982397 /nfs/dbraw/zinc/98/23/97/647982397.db2.gz GPNXFJJJRZTFFF-HNNXBMFYSA-N 1 0 304.390 2.034 20 10 DECDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000920454507 648227742 /nfs/dbraw/zinc/22/77/42/648227742.db2.gz UWYJYMFIYWHPOK-UHFFFAOYSA-N 1 0 321.490 2.198 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822818094 648295435 /nfs/dbraw/zinc/29/54/35/648295435.db2.gz JSJBBWQYMQCQEE-BXUZGUMPSA-N 1 0 306.406 2.451 20 10 DECDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179893534 648431662 /nfs/dbraw/zinc/43/16/62/648431662.db2.gz FPCXSNKQYDHTJS-UHFFFAOYSA-N 1 0 302.349 2.409 20 10 DECDRO Oc1cc(Br)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000824556441 648608983 /nfs/dbraw/zinc/60/89/83/648608983.db2.gz UEVFAKWTTRVMOF-UHFFFAOYSA-N 1 0 311.223 2.435 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000824615519 648623722 /nfs/dbraw/zinc/62/37/22/648623722.db2.gz HTBZFZRFCHBMQU-GFCCVEGCSA-N 1 0 308.378 2.063 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(F)n3)CC2)c1 ZINC000824815696 648657274 /nfs/dbraw/zinc/65/72/74/648657274.db2.gz WYUGDVUCAWUOGB-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C3CCC3)CC2)cc1 ZINC000825241056 648729757 /nfs/dbraw/zinc/72/97/57/648729757.db2.gz UQVMOYRBARDCNO-SFHVURJKSA-N 1 0 304.434 2.415 20 10 DECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825468087 648767209 /nfs/dbraw/zinc/76/72/09/648767209.db2.gz FDFDOGYFONZUOZ-ZJUUUORDSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1C ZINC000825509774 648773255 /nfs/dbraw/zinc/77/32/55/648773255.db2.gz QOBRBXICAMPKSP-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO C/C(=C\C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21)c1cnccn1 ZINC000825805630 648813120 /nfs/dbraw/zinc/81/31/20/648813120.db2.gz KYBJFVSJSDLCQQ-DKGMDFAASA-N 1 0 322.412 2.399 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000842773609 648869596 /nfs/dbraw/zinc/86/95/96/648869596.db2.gz BYAIALLWIRBSAI-KWQFWETISA-N 1 0 316.195 2.430 20 10 DECDRO CN(C)c1ccc(/C=C\CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000827126133 648976668 /nfs/dbraw/zinc/97/66/68/648976668.db2.gz WOWKEVQAWRWLAQ-ZRHASKPBSA-N 1 0 315.461 2.172 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827132411 648978865 /nfs/dbraw/zinc/97/88/65/648978865.db2.gz MHPYBWLPGWYPBC-RISCZKNCSA-N 1 0 308.809 2.455 20 10 DECDRO C[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)C1O ZINC000827151836 648982673 /nfs/dbraw/zinc/98/26/73/648982673.db2.gz KPWFFCRAVPMXPW-ZIAGYGMSSA-N 1 0 322.424 2.111 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC000827596404 649056041 /nfs/dbraw/zinc/05/60/41/649056041.db2.gz XHXQROVFCRJKIZ-KRWDZBQOSA-N 1 0 309.406 2.058 20 10 DECDRO Cc1cc(O)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000827699525 649071279 /nfs/dbraw/zinc/07/12/79/649071279.db2.gz IGOGCFTVTATESN-CQSZACIVSA-N 1 0 324.852 2.385 20 10 DECDRO CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000995225338 649198495 /nfs/dbraw/zinc/19/84/95/649198495.db2.gz CPLDRCQPHJTDOQ-SMDDNHRTSA-N 1 0 317.393 2.357 20 10 DECDRO COC1CCN(c2ccc(C[NH2+][C@@H](CO)C3CC3)cc2)CC1 ZINC000828829715 649229382 /nfs/dbraw/zinc/22/93/82/649229382.db2.gz WTDPSUSVPIVPSU-SFHVURJKSA-N 1 0 304.434 2.162 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC000185523337 649535077 /nfs/dbraw/zinc/53/50/77/649535077.db2.gz NWWIZUBGUODSMZ-UONOGXRCSA-N 1 0 309.406 2.495 20 10 DECDRO O=C(CC[NH2+]Cc1c(O)cccc1Cl)NCc1cccnc1 ZINC000733325241 649542893 /nfs/dbraw/zinc/54/28/93/649542893.db2.gz AJMUHONLDLAGMQ-UHFFFAOYSA-N 1 0 319.792 2.237 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCCCCC[NH3+])c1 ZINC000831264123 649562625 /nfs/dbraw/zinc/56/26/25/649562625.db2.gz ULECUQSGKPHHHF-GFCCVEGCSA-N 1 0 309.410 2.280 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=O)CC[NH2+]C(C)C)C2)cc1 ZINC000831749021 649637974 /nfs/dbraw/zinc/63/79/74/649637974.db2.gz VUENHIGZWOAUSQ-OAHLLOKOSA-N 1 0 319.449 2.026 20 10 DECDRO COc1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000832178083 649682035 /nfs/dbraw/zinc/68/20/35/649682035.db2.gz NCYZYKJCTFSOTJ-CHWSQXEVSA-N 1 0 306.406 2.043 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(Cl)Cl)cc1 ZINC000832265863 649690457 /nfs/dbraw/zinc/69/04/57/649690457.db2.gz AJRYLTZCWSOZNR-NSHDSACASA-N 1 0 304.221 2.062 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)CCN3)cc1 ZINC000832274803 649691537 /nfs/dbraw/zinc/69/15/37/649691537.db2.gz YUGOJYFBOTYLJR-QGZVFWFLSA-N 1 0 324.428 2.150 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000832280250 649691922 /nfs/dbraw/zinc/69/19/22/649691922.db2.gz OFGPPVVOPLEZIB-KRWDZBQOSA-N 1 0 312.417 2.194 20 10 DECDRO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000832283697 649691960 /nfs/dbraw/zinc/69/19/60/649691960.db2.gz ADZKTTYMIWQIIF-USXIJHARSA-N 1 0 319.449 2.074 20 10 DECDRO CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834496885 649807335 /nfs/dbraw/zinc/80/73/35/649807335.db2.gz SXVMDSIPWWYMRF-CVEARBPZSA-N 1 0 304.434 2.326 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000844166788 651085684 /nfs/dbraw/zinc/08/56/84/651085684.db2.gz INGRVWYSLHLYMO-OIISXLGYSA-N 1 0 301.434 2.242 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1F ZINC000844177223 651086792 /nfs/dbraw/zinc/08/67/92/651086792.db2.gz CJWHYFOBGLIHQS-OAHLLOKOSA-N 1 0 307.413 2.286 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(N)c2)cc1 ZINC000844401249 651123363 /nfs/dbraw/zinc/12/33/63/651123363.db2.gz IUYYQKAFUGDTES-UHFFFAOYSA-N 1 0 300.406 2.241 20 10 DECDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000845972563 651298827 /nfs/dbraw/zinc/29/88/27/651298827.db2.gz SAAFTLFHHFNIOK-JTQLQIEISA-N 1 0 304.346 2.366 20 10 DECDRO COC(=O)CC1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000846027213 651302967 /nfs/dbraw/zinc/30/29/67/651302967.db2.gz MLURNJVWHLVKHI-UHFFFAOYSA-N 1 0 314.179 2.340 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(CO)o2)cc1 ZINC000846053288 651304360 /nfs/dbraw/zinc/30/43/60/651304360.db2.gz XRDPLSURODDTAL-UHFFFAOYSA-N 1 0 304.390 2.349 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(Cl)c1 ZINC000846074715 651306603 /nfs/dbraw/zinc/30/66/03/651306603.db2.gz ZFTILLSQHWIFLD-LLVKDONJSA-N 1 0 308.809 2.455 20 10 DECDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147080 651310959 /nfs/dbraw/zinc/31/09/59/651310959.db2.gz SMIFHAUGFJUFEO-KBPBESRZSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000846150858 651311272 /nfs/dbraw/zinc/31/12/72/651311272.db2.gz RSANPXXLYSXVKE-CHWSQXEVSA-N 1 0 305.374 2.496 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000846697746 651346637 /nfs/dbraw/zinc/34/66/37/651346637.db2.gz VMVZQGNJWMINQC-WMLDXEAASA-N 1 0 319.449 2.107 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2F)CC1 ZINC000106702510 651383401 /nfs/dbraw/zinc/38/34/01/651383401.db2.gz RSZVTBAZBVPBGC-HIFRSBDPSA-N 1 0 319.424 2.240 20 10 DECDRO CC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(=O)NC ZINC000850321146 651897687 /nfs/dbraw/zinc/89/76/87/651897687.db2.gz PXQWSNJHFGTZHP-AWEZNQCLSA-N 1 0 308.422 2.313 20 10 DECDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850322503 651898398 /nfs/dbraw/zinc/89/83/98/651898398.db2.gz XCDYWZVKEUIVLO-WCQYABFASA-N 1 0 320.433 2.442 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)nn3C)C2)cc1 ZINC000850347420 651905698 /nfs/dbraw/zinc/90/56/98/651905698.db2.gz RWWXJQDJGSDCAN-CQSZACIVSA-N 1 0 300.406 2.106 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1O ZINC000850353749 651908973 /nfs/dbraw/zinc/90/89/73/651908973.db2.gz LUQWWOGXZSKWKA-FVQBIDKESA-N 1 0 323.433 2.447 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1O ZINC000850353750 651909298 /nfs/dbraw/zinc/90/92/98/651909298.db2.gz LUQWWOGXZSKWKA-NUEKZKHPSA-N 1 0 323.433 2.447 20 10 DECDRO CON(C)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000850479558 651936419 /nfs/dbraw/zinc/93/64/19/651936419.db2.gz XGUWVEIIGRZMFA-SECBINFHSA-N 1 0 303.200 2.299 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488763 651938103 /nfs/dbraw/zinc/93/81/03/651938103.db2.gz OLOBSNHSTGXOKM-QWHCGFSZSA-N 1 0 314.389 2.120 20 10 DECDRO O=C1N(CC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H]2CCCCN12 ZINC000850560370 651954168 /nfs/dbraw/zinc/95/41/68/651954168.db2.gz DPOFWDPIJZGCTM-HUUCEWRRSA-N 1 0 315.417 2.259 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c1 ZINC000857061046 652043008 /nfs/dbraw/zinc/04/30/08/652043008.db2.gz ILLRLIVVHOOLJU-GOSISDBHSA-N 1 0 315.417 2.380 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851679833 652205790 /nfs/dbraw/zinc/20/57/90/652205790.db2.gz DWIRPQNZCJSJQQ-CQSZACIVSA-N 1 0 306.454 2.281 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000858121933 652259851 /nfs/dbraw/zinc/25/98/51/652259851.db2.gz NPGUIJBGFFEFSY-LBPRGKRZSA-N 1 0 321.375 2.035 20 10 DECDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853576954 652571604 /nfs/dbraw/zinc/57/16/04/652571604.db2.gz GQKYDIQYNWGJLP-MLGOLLRUSA-N 1 0 319.401 2.352 20 10 DECDRO COc1ccc(N2CC[C@@H](N[C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217678 652659087 /nfs/dbraw/zinc/65/90/87/652659087.db2.gz OPLGFWJTGFLPQW-IIDMSEBBSA-N 1 0 303.450 2.394 20 10 DECDRO OCCn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCc2cccc(O)c21 ZINC000391863003 685447114 /nfs/dbraw/zinc/44/71/14/685447114.db2.gz UBNOWCGQJLKAEG-CABCVRRESA-N 1 0 313.401 2.236 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000858535256 685554914 /nfs/dbraw/zinc/55/49/14/685554914.db2.gz UDHVJPOHMBOLLD-AWEZNQCLSA-N 1 0 305.422 2.232 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000928457438 693786225 /nfs/dbraw/zinc/78/62/25/693786225.db2.gz XEXWXBXWFBACIS-GOEBONIOSA-N 1 0 312.417 2.312 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2c(O)cccc2F)C1 ZINC000928705258 693830677 /nfs/dbraw/zinc/83/06/77/693830677.db2.gz FLFPXFLDYIKEOY-MRXNPFEDSA-N 1 0 312.360 2.360 20 10 DECDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000188965585 684369096 /nfs/dbraw/zinc/36/90/96/684369096.db2.gz WYDZIOASMPXHSP-HNNXBMFYSA-N 1 0 315.369 2.123 20 10 DECDRO CCCNC(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000192810598 684457854 /nfs/dbraw/zinc/45/78/54/684457854.db2.gz FJPWIIKMAFBFIX-UHFFFAOYSA-N 1 0 320.433 2.447 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193764587 685049244 /nfs/dbraw/zinc/04/92/44/685049244.db2.gz XSVOHRSWWJOQOA-UHFFFAOYSA-N 1 0 317.433 2.408 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000281317880 685215803 /nfs/dbraw/zinc/21/58/03/685215803.db2.gz RAATXIPGHHFAID-WBVHZDCISA-N 1 0 317.433 2.463 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000304314037 685250943 /nfs/dbraw/zinc/25/09/43/685250943.db2.gz KXOJCXRORUXFNE-GOSISDBHSA-N 1 0 316.401 2.114 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861620879 686160262 /nfs/dbraw/zinc/16/02/62/686160262.db2.gz PTQWTWRJCGNULV-UHOFOFEASA-N 1 0 304.438 2.253 20 10 DECDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861620813 686160334 /nfs/dbraw/zinc/16/03/34/686160334.db2.gz NRKJBDCUSUBZAZ-RHSMWYFYSA-N 1 0 318.465 2.453 20 10 DECDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862225273 686258864 /nfs/dbraw/zinc/25/88/64/686258864.db2.gz QCQAYWHBLNZIMY-MNOVXSKESA-N 1 0 311.376 2.117 20 10 DECDRO CCN(CC)c1ccc(CNCC2([NH3+])CCOCC2)cc1F ZINC000863482149 686507575 /nfs/dbraw/zinc/50/75/75/686507575.db2.gz VBMPROOKEAVWFV-UHFFFAOYSA-N 1 0 309.429 2.269 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC13CCOCC3)OCO2 ZINC000865779087 687331630 /nfs/dbraw/zinc/33/16/30/687331630.db2.gz RMUJJWGCRPHALZ-ZDUSSCGKSA-N 1 0 305.374 2.417 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000866206907 687491503 /nfs/dbraw/zinc/49/15/03/687491503.db2.gz GHKDLNCEBOWWLM-VXGBXAGGSA-N 1 0 321.377 2.142 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866414959 687565836 /nfs/dbraw/zinc/56/58/36/687565836.db2.gz NGJHIDMNEWGIPN-KCQAQPDRSA-N 1 0 308.397 2.084 20 10 DECDRO CC[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 ZINC000866493808 687590009 /nfs/dbraw/zinc/59/00/09/687590009.db2.gz AHGXKOUWXKYBIZ-QGZVFWFLSA-N 1 0 311.433 2.472 20 10 DECDRO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Cl)ccc1O ZINC000866496612 687591615 /nfs/dbraw/zinc/59/16/15/687591615.db2.gz SWBODRDKGSPOAC-JTQLQIEISA-N 1 0 304.781 2.375 20 10 DECDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000868098015 687909549 /nfs/dbraw/zinc/90/95/49/687909549.db2.gz RWPCEIFTMSHNDU-KBPBESRZSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1O ZINC000868167428 687932791 /nfs/dbraw/zinc/93/27/91/687932791.db2.gz QIMDUZVDAMJJCR-GZMMTYOYSA-N 1 0 305.300 2.032 20 10 DECDRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1O ZINC000868167430 687932814 /nfs/dbraw/zinc/93/28/14/687932814.db2.gz QIMDUZVDAMJJCR-KCJUWKMLSA-N 1 0 305.300 2.032 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1O ZINC000868397346 688001396 /nfs/dbraw/zinc/00/13/96/688001396.db2.gz SBEPHIBJOJPEBP-XUJVJEKNSA-N 1 0 303.406 2.235 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001018897219 688248064 /nfs/dbraw/zinc/24/80/64/688248064.db2.gz YIIKASUXJNPOJM-INIZCTEOSA-N 1 0 313.401 2.336 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccon2)[NH+](C)C)cc1 ZINC000930653185 694211173 /nfs/dbraw/zinc/21/11/73/694211173.db2.gz UKMGAPVTLHQCHV-AWEZNQCLSA-N 1 0 317.393 2.165 20 10 DECDRO Cc1cnc(F)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000870932663 688689742 /nfs/dbraw/zinc/68/97/42/688689742.db2.gz HSNHYWLDGLFBTF-HNNXBMFYSA-N 1 0 316.380 2.025 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872210119 688953501 /nfs/dbraw/zinc/95/35/01/688953501.db2.gz LOCHQVREUQPRBW-RHSMWYFYSA-N 1 0 308.466 2.104 20 10 DECDRO C[S@@](=N)(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000872799219 689095542 /nfs/dbraw/zinc/09/55/42/689095542.db2.gz YWCUKIZRJRKQLX-QFIPXVFZSA-N 1 0 319.430 2.255 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1C ZINC000873007981 689139873 /nfs/dbraw/zinc/13/98/73/689139873.db2.gz BMPJFKZMECEEGL-OAHLLOKOSA-N 1 0 311.447 2.308 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)CC(C)C)cc1Cn1cccn1 ZINC000873020662 689142533 /nfs/dbraw/zinc/14/25/33/689142533.db2.gz ZNHZWVOTVWKLNC-KRWDZBQOSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)CC(C)C)cc1Cn1cccn1 ZINC000873029957 689144309 /nfs/dbraw/zinc/14/43/09/689144309.db2.gz WTMRDURTEPMOIJ-QGZVFWFLSA-N 1 0 317.433 2.437 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000873095150 689158074 /nfs/dbraw/zinc/15/80/74/689158074.db2.gz DOXLTMLUUMITLZ-QGZVFWFLSA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)CCO)cc1Cn1cccn1 ZINC000873129837 689165331 /nfs/dbraw/zinc/16/53/31/689165331.db2.gz VXJVFRQVBLLLCY-HNNXBMFYSA-N 1 0 317.433 2.438 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H](C)O ZINC000873130853 689165718 /nfs/dbraw/zinc/16/57/18/689165718.db2.gz HOXOIRZDCXZQBB-CZUORRHYSA-N 1 0 303.406 2.189 20 10 DECDRO CCN(CC)c1ccc(CN2CCC([NH2+]CCO)CC2)cc1F ZINC000873215905 689186198 /nfs/dbraw/zinc/18/61/98/689186198.db2.gz GYPMGYHOBPAHBT-UHFFFAOYSA-N 1 0 323.456 2.218 20 10 DECDRO CN(C)c1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000873226787 689188088 /nfs/dbraw/zinc/18/80/88/689188088.db2.gz BKVRVJLWFBZHAT-RYUDHWBXSA-N 1 0 319.346 2.461 20 10 DECDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931039306 694300097 /nfs/dbraw/zinc/30/00/97/694300097.db2.gz QGUZHUYTFBVRCJ-QAPCUYQASA-N 1 0 303.450 2.048 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1OC ZINC000876623821 689879844 /nfs/dbraw/zinc/87/98/44/689879844.db2.gz VZEURIBOXRIKEB-PPGNKHEKSA-N 1 0 304.390 2.222 20 10 DECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876666313 689894650 /nfs/dbraw/zinc/89/46/50/689894650.db2.gz HPHOZQUHSCWXNV-NNNHXZLVSA-N 1 0 301.346 2.040 20 10 DECDRO CCc1nsc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC000876765810 689930234 /nfs/dbraw/zinc/93/02/34/689930234.db2.gz VTTAHHVSENSURW-UHFFFAOYSA-N 1 0 318.446 2.437 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000876879712 689962509 /nfs/dbraw/zinc/96/25/09/689962509.db2.gz VHWMMVFNRFYOPJ-JGFGOQIWSA-N 1 0 304.390 2.110 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000876885558 689964155 /nfs/dbraw/zinc/96/41/55/689964155.db2.gz ORWCSRRPQROFGV-PPGNKHEKSA-N 1 0 304.390 2.222 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877067269 690012309 /nfs/dbraw/zinc/01/23/09/690012309.db2.gz FJGJUMNSQJJELE-GOSISDBHSA-N 1 0 306.450 2.408 20 10 DECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877149208 690030061 /nfs/dbraw/zinc/03/00/61/690030061.db2.gz ICFQFNGFHVFZBM-UHFFFAOYSA-N 1 0 320.433 2.079 20 10 DECDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877154681 690032042 /nfs/dbraw/zinc/03/20/42/690032042.db2.gz WXJHOYLECZCHPR-MRXNPFEDSA-N 1 0 317.477 2.079 20 10 DECDRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1O ZINC000877255683 690058072 /nfs/dbraw/zinc/05/80/72/690058072.db2.gz HAGDXMRNCYSKGZ-RNCFNFMXSA-N 1 0 302.296 2.111 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000877516357 690137727 /nfs/dbraw/zinc/13/77/27/690137727.db2.gz DEBFQTSPMPFJOZ-OAHLLOKOSA-N 1 0 317.433 2.470 20 10 DECDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519531 690139205 /nfs/dbraw/zinc/13/92/05/690139205.db2.gz KVWIJGXYUGEQDK-WBVHZDCISA-N 1 0 318.461 2.410 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)CC2)c1 ZINC000877533131 690143221 /nfs/dbraw/zinc/14/32/21/690143221.db2.gz LGCPVPWJVXJISL-RYUDHWBXSA-N 1 0 313.419 2.019 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000877665777 690183850 /nfs/dbraw/zinc/18/38/50/690183850.db2.gz IUSWDZYFOUJRNV-QZTJIDSGSA-N 1 0 315.369 2.025 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000877667883 690184405 /nfs/dbraw/zinc/18/44/05/690184405.db2.gz RZEHLVIFWHOUPZ-WVSHTKLVSA-N 1 0 300.196 2.324 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1OC ZINC000877684455 690190337 /nfs/dbraw/zinc/19/03/37/690190337.db2.gz VEDBPDLLHLMELJ-CHWSQXEVSA-N 1 0 309.406 2.439 20 10 DECDRO CONC(=O)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000877785754 690228973 /nfs/dbraw/zinc/22/89/73/690228973.db2.gz FJAADWNWKQJIQX-PLNGDYQASA-N 1 0 317.433 2.155 20 10 DECDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877834907 690246292 /nfs/dbraw/zinc/24/62/92/690246292.db2.gz ADSGPQRCSOSKHA-OAHLLOKOSA-N 1 0 322.424 2.255 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)ccc1N1CCCCC1 ZINC000878981812 690541875 /nfs/dbraw/zinc/54/18/75/690541875.db2.gz QBZKWFGGYBFJRG-MJGOQNOKSA-N 1 0 318.461 2.303 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651712 690699034 /nfs/dbraw/zinc/69/90/34/690699034.db2.gz IHZKJQIPRALQHU-JTQLQIEISA-N 1 0 302.378 2.032 20 10 DECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000883315564 691480343 /nfs/dbraw/zinc/48/03/43/691480343.db2.gz PWMZLTVTWIFFCX-IYBDPMFKSA-N 1 0 304.434 2.162 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374146 691492374 /nfs/dbraw/zinc/49/23/74/691492374.db2.gz READEELJXMHLOA-XNRPHZJLSA-N 1 0 310.463 2.369 20 10 DECDRO Oc1ccccc1CN(C[C@H]1CCCO1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883418348 691504159 /nfs/dbraw/zinc/50/41/59/691504159.db2.gz FPZCXZRCNFUPPB-HRCADAONSA-N 1 0 308.397 2.073 20 10 DECDRO CC1CC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883490737 691524005 /nfs/dbraw/zinc/52/40/05/691524005.db2.gz XRPZGXLMURFXFT-UHFFFAOYSA-N 1 0 316.449 2.036 20 10 DECDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044879470 691901647 /nfs/dbraw/zinc/90/16/47/691901647.db2.gz PDMYWIVHEOAJKY-SMDDNHRTSA-N 1 0 317.393 2.452 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000886234005 692032643 /nfs/dbraw/zinc/03/26/43/692032643.db2.gz CXSMECIZDPDFSB-CYBMUJFWSA-N 1 0 305.349 2.233 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccoc3)cc2)CC1 ZINC000886325072 692057101 /nfs/dbraw/zinc/05/71/01/692057101.db2.gz SBMSYICSHSYYNV-UHFFFAOYSA-N 1 0 313.401 2.271 20 10 DECDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)O2)CO1 ZINC000886334333 692059521 /nfs/dbraw/zinc/05/95/21/692059521.db2.gz VNQCPDNSPNLFLT-QBIMZIAESA-N 1 0 303.402 2.438 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1O ZINC000886341025 692061281 /nfs/dbraw/zinc/06/12/81/692061281.db2.gz OMRWFTALVTTWPQ-ACXGAUJLSA-N 1 0 321.417 2.463 20 10 DECDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886504238 692095817 /nfs/dbraw/zinc/09/58/17/692095817.db2.gz XQMFAXGVQITEDZ-ZIAGYGMSSA-N 1 0 309.429 2.208 20 10 DECDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000886595081 692123283 /nfs/dbraw/zinc/12/32/83/692123283.db2.gz AJUHGCAMSYPJRP-PKYBCLHXSA-N 1 0 318.417 2.300 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1F ZINC000896378604 692999881 /nfs/dbraw/zinc/99/98/81/692999881.db2.gz SVJJDXQGCPCNTI-LLVKDONJSA-N 1 0 312.360 2.226 20 10 DECDRO CN(C)c1cc[nH+]c(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000924676281 693169165 /nfs/dbraw/zinc/16/91/65/693169165.db2.gz VOFAJDQINHNLCT-UHFFFAOYSA-N 1 0 312.373 2.079 20 10 DECDRO C[C@@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[N@@H+]1C ZINC000925328135 693257440 /nfs/dbraw/zinc/25/74/40/693257440.db2.gz UXIMIKXSDFMSDM-WBMJQRKESA-N 1 0 317.433 2.163 20 10 DECDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000925507083 693285593 /nfs/dbraw/zinc/28/55/93/693285593.db2.gz YFCDOVRRERZPPX-HNAYVOBHSA-N 1 0 317.477 2.125 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cn(C)cn3)C2)cc1 ZINC000926680653 693490941 /nfs/dbraw/zinc/49/09/41/693490941.db2.gz QUECXYHPVKPEFR-KGLIPLIRSA-N 1 0 300.406 2.358 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cn(C)cn3)C2)cc1 ZINC000926680654 693491294 /nfs/dbraw/zinc/49/12/94/693491294.db2.gz QUECXYHPVKPEFR-UONOGXRCSA-N 1 0 300.406 2.358 20 10 DECDRO COc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)c1OC ZINC001333678897 1150077858 /nfs/dbraw/zinc/07/78/58/1150077858.db2.gz PLNUMJABUUVCHT-AWEZNQCLSA-N 1 0 306.406 2.080 20 10 DECDRO CCCOc1ccc(C[NH2+]CCCc2nnnn2C)cc1C ZINC001335579161 1150460429 /nfs/dbraw/zinc/46/04/29/1150460429.db2.gz OERMCTMCPGFHOJ-UHFFFAOYSA-N 1 0 303.410 2.030 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc(N)cc1 ZINC001335576486 1150460443 /nfs/dbraw/zinc/46/04/43/1150460443.db2.gz MCHWSCPMDCLQID-CQSZACIVSA-N 1 0 304.438 2.188 20 10 DECDRO CCn1cccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001343019110 1150657566 /nfs/dbraw/zinc/65/75/66/1150657566.db2.gz CGEHDYQMENDTFO-HNNXBMFYSA-N 1 0 300.406 2.004 20 10 DECDRO COc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1O ZINC001343283471 1150729211 /nfs/dbraw/zinc/72/92/11/1150729211.db2.gz GQBAWEIRQNUYFM-UHFFFAOYSA-N 1 0 300.349 2.220 20 10 DECDRO C[NH+](C)[C@H](CC(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001348048485 1151115926 /nfs/dbraw/zinc/11/59/26/1151115926.db2.gz UIOGAFXOZSRKMM-OAHLLOKOSA-N 1 0 314.385 2.407 20 10 DECDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001136651735 790411945 /nfs/dbraw/zinc/41/19/45/790411945.db2.gz SVKNPNHIJRLYIA-UHFFFAOYSA-N 1 0 314.385 2.018 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC001141032248 778138550 /nfs/dbraw/zinc/13/85/50/778138550.db2.gz XGGMKFAKFSIYLF-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3N)n2)cc1 ZINC001211755647 778836255 /nfs/dbraw/zinc/83/62/55/778836255.db2.gz XFDZMRDREUQNMB-HOTGVXAUSA-N 1 0 323.400 2.158 20 10 DECDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001142532984 780798185 /nfs/dbraw/zinc/79/81/85/780798185.db2.gz BIPJRJZSLWVCCB-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccncc2C)cc1C ZINC001126793427 780843101 /nfs/dbraw/zinc/84/31/01/780843101.db2.gz PIZILIQNBQKLKX-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509083 790940318 /nfs/dbraw/zinc/94/03/18/790940318.db2.gz KKVDSKWAOUVVQT-NSHDSACASA-N 1 0 323.389 2.357 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1O ZINC000824798183 783606590 /nfs/dbraw/zinc/60/65/90/783606590.db2.gz IAAVXLZAMNGSST-UONOGXRCSA-N 1 0 304.390 2.034 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC000968592245 784482960 /nfs/dbraw/zinc/48/29/60/784482960.db2.gz DAQQBRFIHVRSTC-ZIAGYGMSSA-N 1 0 324.371 2.349 20 10 DECDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691468075 785912439 /nfs/dbraw/zinc/91/24/39/785912439.db2.gz SKICFOXUIYJPKI-PWJLMRLQSA-N 1 0 306.225 2.011 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]21 ZINC001333811259 1150094283 /nfs/dbraw/zinc/09/42/83/1150094283.db2.gz LCGCPMNDSDQILJ-KOLCDFICSA-N 1 0 318.398 2.089 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ncccc2F)cc1C ZINC001135730385 789469520 /nfs/dbraw/zinc/46/95/20/789469520.db2.gz WODSVMROCLDKBB-UHFFFAOYSA-N 1 0 317.364 2.057 20 10 DECDRO COCCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001147031722 791436822 /nfs/dbraw/zinc/43/68/22/791436822.db2.gz FDCOGYZZLCXAMO-AWEZNQCLSA-N 1 0 322.449 2.272 20 10 DECDRO COc1ccc(N2CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)CC2)cc1 ZINC001172240369 793381634 /nfs/dbraw/zinc/38/16/34/793381634.db2.gz MUTLTOQFZWLWEC-ZNXRZULTSA-N 1 0 300.402 2.303 20 10 DECDRO COC(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001172769592 793497136 /nfs/dbraw/zinc/49/71/36/793497136.db2.gz BINKXEKFIAUKOB-KBPBESRZSA-N 1 0 307.390 2.352 20 10 DECDRO CCOc1ccc(N2CCN([C@H]3CC[N@H+](CC)C3)CC2)cc1 ZINC001173374288 793708998 /nfs/dbraw/zinc/70/89/98/793708998.db2.gz JXYPCTLJUUCXMU-KRWDZBQOSA-N 1 0 303.450 2.302 20 10 DECDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001173625888 793783986 /nfs/dbraw/zinc/78/39/86/793783986.db2.gz FLOWUXPLHYVLLQ-DGCLKSJQSA-N 1 0 323.389 2.057 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)cc1 ZINC001173760553 793841958 /nfs/dbraw/zinc/84/19/58/793841958.db2.gz XSZNMCUYEIZGEN-ZBFHGGJFSA-N 1 0 300.410 2.013 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@H](n3ncnn3)C2)cc1 ZINC001173771590 793846224 /nfs/dbraw/zinc/84/62/24/793846224.db2.gz VFZUGFJHGOELKH-IRXDYDNUSA-N 1 0 314.437 2.355 20 10 DECDRO C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1C1CCCC1 ZINC001177713626 794735321 /nfs/dbraw/zinc/73/53/21/794735321.db2.gz WRJRKXAZBUUDQV-ZDUSSCGKSA-N 1 0 318.417 2.116 20 10 DECDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001178482676 794934762 /nfs/dbraw/zinc/93/47/62/794934762.db2.gz IXNOTDRGRDVGDM-QGZVFWFLSA-N 1 0 312.413 2.451 20 10 DECDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001116753261 794983687 /nfs/dbraw/zinc/98/36/87/794983687.db2.gz NVOJOLAQBSGSTM-VXGBXAGGSA-N 1 0 313.781 2.486 20 10 DECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116884732 794994935 /nfs/dbraw/zinc/99/49/35/794994935.db2.gz WJAQVWGLOGEJNF-SFHVURJKSA-N 1 0 301.434 2.245 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001179559779 795130490 /nfs/dbraw/zinc/13/04/90/795130490.db2.gz VLRKXMDPSXKOPK-NJAFHUGGSA-N 1 0 302.418 2.180 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1Cl ZINC001118575597 795200516 /nfs/dbraw/zinc/20/05/16/795200516.db2.gz IAVPOEPHTFZDJC-CYBMUJFWSA-N 1 0 320.824 2.456 20 10 DECDRO OC[C@@H](CC1CC1)[NH2+]Cc1c(O)cccc1Br ZINC001118800806 795228376 /nfs/dbraw/zinc/22/83/76/795228376.db2.gz CXSLORYYKFIFQS-SNVBAGLBSA-N 1 0 300.196 2.405 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC3(CCCCO3)CC1)[C@H](O)CO2 ZINC001119392452 795297259 /nfs/dbraw/zinc/29/72/59/795297259.db2.gz LURLXDBFDLFHNQ-MRXNPFEDSA-N 1 0 319.401 2.353 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2C)c(O)c1OC ZINC001119940759 795376447 /nfs/dbraw/zinc/37/64/47/795376447.db2.gz LTOIZNBRHHSUHO-JTQLQIEISA-N 1 0 305.378 2.302 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001120555351 795484086 /nfs/dbraw/zinc/48/40/86/795484086.db2.gz WWGAGOLGJASXIB-CXAGYDPISA-N 1 0 316.449 2.035 20 10 DECDRO C[C@@H](CCNC(=O)NCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC001120620279 795499424 /nfs/dbraw/zinc/49/94/24/795499424.db2.gz ZXXGURYRXZRIRQ-AWEZNQCLSA-N 1 0 304.438 2.333 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001121991551 795714209 /nfs/dbraw/zinc/71/42/09/795714209.db2.gz TZXRUVCAGFEQEJ-GDBMZVCRSA-N 1 0 303.450 2.395 20 10 DECDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC001122334557 795748228 /nfs/dbraw/zinc/74/82/28/795748228.db2.gz CGZHFLSZRGMUBP-VBROQKIQSA-N 1 0 308.385 2.044 20 10 DECDRO O=C(NCc1cccc(O)c1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001123888712 795993355 /nfs/dbraw/zinc/99/33/55/795993355.db2.gz JVHAWVPEYHZNEV-CQSZACIVSA-N 1 0 304.390 2.121 20 10 DECDRO CCSCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124135502 796040276 /nfs/dbraw/zinc/04/02/76/796040276.db2.gz QPCZTSRPHBVWMX-UHFFFAOYSA-N 1 0 310.463 2.353 20 10 DECDRO COC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC001184411079 796060843 /nfs/dbraw/zinc/06/08/43/796060843.db2.gz QYSCJXFUYUSZBN-OAHLLOKOSA-N 1 0 313.781 2.023 20 10 DECDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC001203595827 796112875 /nfs/dbraw/zinc/11/28/75/796112875.db2.gz PXKSLDNTRHBIJW-AWEZNQCLSA-N 1 0 306.406 2.282 20 10 DECDRO Oc1c(C[NH+]2CCC(O)CC2)cc2c3c1CCCN3CCC2 ZINC001138336115 796198586 /nfs/dbraw/zinc/19/85/86/796198586.db2.gz KXDQQFWZVMPJFT-UHFFFAOYSA-N 1 0 302.418 2.048 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358442 796205765 /nfs/dbraw/zinc/20/57/65/796205765.db2.gz RSJGTJZUWKYFBH-QGZVFWFLSA-N 1 0 315.461 2.369 20 10 DECDRO COc1cc(CN2CCC(=O)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256318 796349692 /nfs/dbraw/zinc/34/96/92/796349692.db2.gz YPVQSMNZMWKGMR-GFCCVEGCSA-N 1 0 306.406 2.016 20 10 DECDRO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140185473 796488321 /nfs/dbraw/zinc/48/83/21/796488321.db2.gz WLPUXNXOMSBTBI-CQSZACIVSA-N 1 0 307.390 2.163 20 10 DECDRO Cc1ccnc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)n1 ZINC001140185468 796488690 /nfs/dbraw/zinc/48/86/90/796488690.db2.gz WHXWTGXKIXGVJI-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140285469 796501437 /nfs/dbraw/zinc/50/14/37/796501437.db2.gz LBPHSTKVNZYCEI-QGZVFWFLSA-N 1 0 316.445 2.449 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCO4)C3)cc2)CC1 ZINC001140285984 796501553 /nfs/dbraw/zinc/50/15/53/796501553.db2.gz WTQYGVPJPIJNIV-LJQANCHMSA-N 1 0 316.445 2.403 20 10 DECDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282537 796501582 /nfs/dbraw/zinc/50/15/82/796501582.db2.gz CTYYENJSFCIZHC-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)cc2)CC1 ZINC001140284670 796501779 /nfs/dbraw/zinc/50/17/79/796501779.db2.gz XEGGCCQXEILGQM-JCGIZDLHSA-N 1 0 304.409 2.438 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)O ZINC001140287873 796502493 /nfs/dbraw/zinc/50/24/93/796502493.db2.gz IXYYAXYJJRVJOK-UHFFFAOYSA-N 1 0 306.450 2.241 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[NH+]3CC4(CSC4)C3)cc2)CC1 ZINC001140309590 796505075 /nfs/dbraw/zinc/50/50/75/796505075.db2.gz MXKNSSURTTULTJ-UHFFFAOYSA-N 1 0 317.502 2.377 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c1 ZINC001140622743 796547163 /nfs/dbraw/zinc/54/71/63/796547163.db2.gz FKLNFZQHTNNWFV-UHFFFAOYSA-N 1 0 316.323 2.344 20 10 DECDRO C[C@@H]1COCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660284 796552572 /nfs/dbraw/zinc/55/25/72/796552572.db2.gz MYZNHOUJRPXCPV-AWEZNQCLSA-N 1 0 308.397 2.131 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@]1(C)O ZINC001140660598 796552705 /nfs/dbraw/zinc/55/27/05/796552705.db2.gz XNEKBFFHPCMPTM-KDOFPFPSSA-N 1 0 322.424 2.255 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(Cl)c1 ZINC001140922423 796597287 /nfs/dbraw/zinc/59/72/87/796597287.db2.gz QNASVNYONVWQHE-INIZCTEOSA-N 1 0 307.825 2.118 20 10 DECDRO Cc1ccc(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001140950917 796606485 /nfs/dbraw/zinc/60/64/85/796606485.db2.gz OYSWKPYHJQXKEC-UHFFFAOYSA-N 1 0 316.323 2.344 20 10 DECDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(OC)c1 ZINC001141029305 796621014 /nfs/dbraw/zinc/62/10/14/796621014.db2.gz OWJSFYGRBOHDCB-CRJCFHLZSA-N 1 0 305.374 2.019 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029325 796621101 /nfs/dbraw/zinc/62/11/01/796621101.db2.gz PRFLWHLODVBAPH-RYUDHWBXSA-N 1 0 323.389 2.040 20 10 DECDRO CC[N@H+](C)C1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032964 796622539 /nfs/dbraw/zinc/62/25/39/796622539.db2.gz VCGVOQVVMXPCNW-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143898 796639189 /nfs/dbraw/zinc/63/91/89/796639189.db2.gz MYWRJMYVDMKSAA-AWEZNQCLSA-N 1 0 318.417 2.290 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@@]1(O)C(F)(F)F ZINC001141156649 796642232 /nfs/dbraw/zinc/64/22/32/796642232.db2.gz PSGCYIRTKHPKJZ-RNCFNFMXSA-N 1 0 305.296 2.233 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]([NH2+]CCCF)C2)cc1 ZINC001188252082 796649643 /nfs/dbraw/zinc/64/96/43/796649643.db2.gz WNOTYQUELLVNCH-CYBMUJFWSA-N 1 0 321.356 2.013 20 10 DECDRO COCCCC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142530299 796748262 /nfs/dbraw/zinc/74/82/62/796748262.db2.gz CESIVXVOPSGXFV-UHFFFAOYSA-N 1 0 314.376 2.215 20 10 DECDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1ccc(O)c(O)c1Cl)C2 ZINC001193247022 797529738 /nfs/dbraw/zinc/52/97/38/797529738.db2.gz IDPLBRIHSFDHNG-RTCCRHLQSA-N 1 0 324.808 2.496 20 10 DECDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC001156651315 798053079 /nfs/dbraw/zinc/05/30/79/798053079.db2.gz KDJWMJSOYLBWLD-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO Cc1cnc(C)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655494 798054077 /nfs/dbraw/zinc/05/40/77/798054077.db2.gz FDYBKHOEZNGGJF-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC001161022103 798781965 /nfs/dbraw/zinc/78/19/65/798781965.db2.gz JMQHZBVQDABDJP-GFCCVEGCSA-N 1 0 313.401 2.234 20 10 DECDRO Oc1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203551862 800079343 /nfs/dbraw/zinc/07/93/43/800079343.db2.gz RCIRBXYEFKTNLG-CALCHBBNSA-N 1 0 309.413 2.351 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c1O ZINC001203601587 800088105 /nfs/dbraw/zinc/08/81/05/800088105.db2.gz BLYJLWYKFCPRAS-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001203614081 800089806 /nfs/dbraw/zinc/08/98/06/800089806.db2.gz NRNYCEZQCKNCMZ-UHFFFAOYSA-N 1 0 308.397 2.409 20 10 DECDRO COc1ccc(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001203634396 800095031 /nfs/dbraw/zinc/09/50/31/800095031.db2.gz CYTBSWGFQAHJLR-OAHLLOKOSA-N 1 0 306.406 2.232 20 10 DECDRO COc1ccc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001203634882 800097516 /nfs/dbraw/zinc/09/75/16/800097516.db2.gz ZNUFJZULSPPHIJ-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3ncccc3C)CC2)c1 ZINC001203665685 800103234 /nfs/dbraw/zinc/10/32/34/800103234.db2.gz UIGSXBLYAFBPNY-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203883747 800139311 /nfs/dbraw/zinc/13/93/11/800139311.db2.gz NKYVFAQAOSXFCE-UHFFFAOYSA-N 1 0 318.417 2.321 20 10 DECDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203883121 800139527 /nfs/dbraw/zinc/13/95/27/800139527.db2.gz FGUAOFZUBKSSTA-CQSZACIVSA-N 1 0 315.373 2.240 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203934117 800147732 /nfs/dbraw/zinc/14/77/32/800147732.db2.gz VFKSXIMURKGIHQ-MRXNPFEDSA-N 1 0 314.433 2.228 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)cc1 ZINC001203940715 800149091 /nfs/dbraw/zinc/14/90/91/800149091.db2.gz WRZPGESYKDOKIR-SFHVURJKSA-N 1 0 301.434 2.245 20 10 DECDRO CN(C)C(=O)C1C[NH+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204243348 800193690 /nfs/dbraw/zinc/19/36/90/800193690.db2.gz YACCDTHDACNGRI-UHFFFAOYSA-N 1 0 311.429 2.426 20 10 DECDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)n1 ZINC001204277642 800198948 /nfs/dbraw/zinc/19/89/48/800198948.db2.gz HSBUDMJKKDCDPO-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204278041 800199587 /nfs/dbraw/zinc/19/95/87/800199587.db2.gz QLOINCOPJNVECJ-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327289 800205200 /nfs/dbraw/zinc/20/52/00/800205200.db2.gz PJJGXPHNKLZQAM-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc(O)c1O ZINC001204342550 800206561 /nfs/dbraw/zinc/20/65/61/800206561.db2.gz NFNILKZYSXWFAS-AWEZNQCLSA-N 1 0 300.358 2.491 20 10 DECDRO [NH3+][C@@H]1CCCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001205123432 800301228 /nfs/dbraw/zinc/30/12/28/800301228.db2.gz AWRJQISTIYNTAU-SNVBAGLBSA-N 1 0 315.211 2.174 20 10 DECDRO [NH3+][C@@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1O ZINC001206109746 800474845 /nfs/dbraw/zinc/47/48/45/800474845.db2.gz GDVXBSLECZSMAD-SJLPKXTDSA-N 1 0 316.376 2.092 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206425980 800530000 /nfs/dbraw/zinc/53/00/00/800530000.db2.gz YEOCGDMMGVQEAA-DLBZAZTESA-N 1 0 303.425 2.257 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206674037 800571979 /nfs/dbraw/zinc/57/19/79/800571979.db2.gz COFNODNQQHZZLZ-HNNXBMFYSA-N 1 0 313.392 2.407 20 10 DECDRO Cc1cccc(C[NH+]2CCN(CCc3ccccn3)CC2)c1O ZINC001231593352 801691742 /nfs/dbraw/zinc/69/17/42/801691742.db2.gz UVXIZSYOTCPUJH-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c(O)c1 ZINC001231848286 801736954 /nfs/dbraw/zinc/73/69/54/801736954.db2.gz FJKAWLXWOLHEMQ-DLBZAZTESA-N 1 0 322.424 2.254 20 10 DECDRO Cc1cc(C)c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC001231848896 801737252 /nfs/dbraw/zinc/73/72/52/801737252.db2.gz KDAFIGGHSNOTQQ-CQSZACIVSA-N 1 0 305.422 2.245 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)C[C@@H]1C ZINC001231856675 801738419 /nfs/dbraw/zinc/73/84/19/801738419.db2.gz PGYYEALSFRFVOM-WFASDCNBSA-N 1 0 306.406 2.002 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1Cl ZINC001231870181 801742731 /nfs/dbraw/zinc/74/27/31/801742731.db2.gz MNUUKYMIQKZKHQ-OAHLLOKOSA-N 1 0 310.781 2.428 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCCO1 ZINC001231869918 801742759 /nfs/dbraw/zinc/74/27/59/801742759.db2.gz AGSYGTZBZGLFHQ-AWEZNQCLSA-N 1 0 313.781 2.118 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@](C)(CO)C2)c2ccccc2n1C ZINC001232402371 801870044 /nfs/dbraw/zinc/87/00/44/801870044.db2.gz MFHZUNSJTXZGEG-SFHVURJKSA-N 1 0 316.401 2.169 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001232402237 801870464 /nfs/dbraw/zinc/87/04/64/801870464.db2.gz JNRMTDRFKKTVSJ-MLGOLLRUSA-N 1 0 316.401 2.168 20 10 DECDRO CCOC(=O)c1c(CN2CC([NH+](C)C)C2)c2ccccc2n1C ZINC001233270522 802059688 /nfs/dbraw/zinc/05/96/88/802059688.db2.gz QIJGHEWACNIXIJ-UHFFFAOYSA-N 1 0 315.417 2.101 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](CO)C2)c2ccccc2n1C ZINC001233272338 802059702 /nfs/dbraw/zinc/05/97/02/802059702.db2.gz HKOWUHQEJQPCDR-ZDUSSCGKSA-N 1 0 316.401 2.169 20 10 DECDRO CCOC(=O)c1c(C[NH+]2CCC(O)CC2)c2ccccc2n1C ZINC001233270474 802059778 /nfs/dbraw/zinc/05/97/78/802059778.db2.gz PDUZKXAUVGUJGH-UHFFFAOYSA-N 1 0 316.401 2.312 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2CC[C@](C)(O)C2)c2ccccc2n1C ZINC001233270563 802060337 /nfs/dbraw/zinc/06/03/37/802060337.db2.gz RPYNEHRKZZQKRI-SFHVURJKSA-N 1 0 316.401 2.312 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(NC(N)=O)CC2)c1 ZINC001233284053 802063931 /nfs/dbraw/zinc/06/39/31/802063931.db2.gz GKYZOYBGVFBZNH-UHFFFAOYSA-N 1 0 305.422 2.322 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001233289698 802064571 /nfs/dbraw/zinc/06/45/71/802064571.db2.gz IEXQIIMMCFKOHS-UHFFFAOYSA-N 1 0 312.797 2.142 20 10 DECDRO NC1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC[NH2+]CC1 ZINC001217710104 802104627 /nfs/dbraw/zinc/10/46/27/802104627.db2.gz SMYBREKCIAYURQ-UHFFFAOYSA-N 1 0 309.373 2.065 20 10 DECDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482863 802126162 /nfs/dbraw/zinc/12/61/62/802126162.db2.gz FOLSVVOAGHTDAL-KRWDZBQOSA-N 1 0 323.389 2.359 20 10 DECDRO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001233487409 802129009 /nfs/dbraw/zinc/12/90/09/802129009.db2.gz CDFYZCVUYCQRDB-ZDUSSCGKSA-N 1 0 301.342 2.239 20 10 DECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768542 802204344 /nfs/dbraw/zinc/20/43/44/802204344.db2.gz TZFSZUXBBUMAKT-LLVKDONJSA-N 1 0 318.295 2.001 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948375 802249667 /nfs/dbraw/zinc/24/96/67/802249667.db2.gz GHZLBYMNZDJUMZ-NSHDSACASA-N 1 0 303.362 2.293 20 10 DECDRO C[NH+](C)[C@H]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233948873 802250620 /nfs/dbraw/zinc/25/06/20/802250620.db2.gz OZUCXLXWKOBSAS-XYPYZODXSA-N 1 0 303.362 2.293 20 10 DECDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000315929836 802491639 /nfs/dbraw/zinc/49/16/39/802491639.db2.gz VLBWGTDRWRYYNX-CQSZACIVSA-N 1 0 321.808 2.402 20 10 DECDRO Cc1cc(C)c(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c(O)c1 ZINC001220825300 802501967 /nfs/dbraw/zinc/50/19/67/802501967.db2.gz BJSBVYVKFRQIEW-QGZVFWFLSA-N 1 0 310.397 2.340 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCn3ccnc3C2)cc1F ZINC001331277799 1149409611 /nfs/dbraw/zinc/40/96/11/1149409611.db2.gz RFKPFFDGCKJHLZ-LBPRGKRZSA-N 1 0 306.360 2.332 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)c(O)c1OC ZINC001335443581 1150418543 /nfs/dbraw/zinc/41/85/43/1150418543.db2.gz HSOFBBZXUHKRRY-KGLIPLIRSA-N 1 0 308.422 2.372 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335697763 1150503659 /nfs/dbraw/zinc/50/36/59/1150503659.db2.gz ZVDLXJPCPUHEIZ-USXIJHARSA-N 1 0 316.449 2.177 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001346418295 1150983626 /nfs/dbraw/zinc/98/36/26/1150983626.db2.gz QVNBYCDLFSEXRE-UMVBOHGHSA-N 1 0 304.438 2.050 20 10 DECDRO C[C@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC001328556763 1148810300 /nfs/dbraw/zinc/81/03/00/1148810300.db2.gz MTPSQRMRJXVYNT-GFCCVEGCSA-N 1 0 310.417 2.031 20 10 DECDRO C[C@@H]([NH2+]CCOCCCO)c1cc(Br)ccc1O ZINC001325888399 1148014547 /nfs/dbraw/zinc/01/45/47/1148014547.db2.gz RWBHFRQPBLDDOC-SNVBAGLBSA-N 1 0 318.211 2.204 20 10 DECDRO Cc1cc(C[NH+]2CCN(Cc3cn[nH]c3)CC2)ccc1N(C)C ZINC001328875701 1148844069 /nfs/dbraw/zinc/84/40/69/1148844069.db2.gz CYKOUBDVJISADY-UHFFFAOYSA-N 1 0 313.449 2.102 20 10 DECDRO C[NH+](C)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCCC1 ZINC001618782611 1078158453 /nfs/dbraw/zinc/15/84/53/1078158453.db2.gz NZJSECDDSATONJ-UHFFFAOYSA-N 1 0 320.433 2.411 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC001621160279 1078170830 /nfs/dbraw/zinc/17/08/30/1078170830.db2.gz UUAZRVITBFXQFS-AWEZNQCLSA-N 1 0 316.405 2.213 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001624630563 1078226592 /nfs/dbraw/zinc/22/65/92/1078226592.db2.gz VKOYXLYDNHTWMV-UHFFFAOYSA-N 1 0 313.445 2.341 20 10 DECDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001576382797 1066582477 /nfs/dbraw/zinc/58/24/77/1066582477.db2.gz DPSUROAXCWCXFZ-METHFUCDSA-N 1 0 316.401 2.004 20 10 DECDRO CC[C@@](C)(C[NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001576948077 1066728909 /nfs/dbraw/zinc/72/89/09/1066728909.db2.gz GEIBJQPIZQRHSW-KSSFIOAISA-N 1 0 319.449 2.013 20 10 DECDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC001633435515 1078405257 /nfs/dbraw/zinc/40/52/57/1078405257.db2.gz VUFDXRGHMCEEJF-HNNXBMFYSA-N 1 0 308.422 2.123 20 10 DECDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N)cc1)CCO2 ZINC001579061771 1067227095 /nfs/dbraw/zinc/22/70/95/1067227095.db2.gz UCMSZGNBUHNDAV-IAGOWNOFSA-N 1 0 306.406 2.061 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001579616620 1067385128 /nfs/dbraw/zinc/38/51/28/1067385128.db2.gz CHUQCYIKJPXWIB-KDOFPFPSSA-N 1 0 318.465 2.043 20 10 DECDRO C[NH+](C)Cc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001644752518 1078860114 /nfs/dbraw/zinc/86/01/14/1078860114.db2.gz IYOAMIPBNWTVKT-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)SC)CC2)cc1C ZINC001483720005 1078865750 /nfs/dbraw/zinc/86/57/50/1078865750.db2.gz UGSYTDBAOFTPMM-CYBMUJFWSA-N 1 0 322.474 2.494 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001540488250 1072414159 /nfs/dbraw/zinc/41/41/59/1072414159.db2.gz KCWRAZKMUCBHRD-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO C[NH+](C)[C@H](CC(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001645363143 1078897818 /nfs/dbraw/zinc/89/78/18/1078897818.db2.gz NMXOXMGWKFKOAO-OAHLLOKOSA-N 1 0 314.385 2.407 20 10 DECDRO CC(C)CN1CC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272618514 1079014953 /nfs/dbraw/zinc/01/49/53/1079014953.db2.gz KESUHALTURUALM-SFHVURJKSA-N 1 0 302.418 2.473 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c1O ZINC001272625564 1079019657 /nfs/dbraw/zinc/01/96/57/1079019657.db2.gz MBMUJHDHBYHIFR-CQSZACIVSA-N 1 0 318.417 2.139 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCOCC3)cc2F)CC1 ZINC001560418163 1075140014 /nfs/dbraw/zinc/14/00/14/1075140014.db2.gz VGWBLBKTCQQHQJ-INIZCTEOSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccccc1O ZINC001560575964 1075142108 /nfs/dbraw/zinc/14/21/08/1075142108.db2.gz XEUWMIDRCGRFHR-GFCCVEGCSA-N 1 0 300.358 2.107 20 10 DECDRO C[C@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(N(C)C)cc1 ZINC001564597401 1075173254 /nfs/dbraw/zinc/17/32/54/1075173254.db2.gz MKKQAFKHWPNGNI-LXZKKBNFSA-N 1 0 316.449 2.159 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)SC)C2)cc1C ZINC001566782488 1075343058 /nfs/dbraw/zinc/34/30/58/1075343058.db2.gz ACUWFNSNFMSJKA-BPLDGKMQSA-N 1 0 322.474 2.492 20 10 DECDRO Nc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC001580445434 1075925066 /nfs/dbraw/zinc/92/50/66/1075925066.db2.gz CVBLOLPXQQJNGR-GFCCVEGCSA-N 1 0 321.222 2.332 20 10 DECDRO O=C([C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001580805815 1075999217 /nfs/dbraw/zinc/99/92/17/1075999217.db2.gz ZIFYVXOJVMGWNO-IAGOWNOFSA-N 1 0 322.408 2.313 20 10 DECDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001583350016 1076256063 /nfs/dbraw/zinc/25/60/63/1076256063.db2.gz XRNXSVKPCFQMAV-CYBMUJFWSA-N 1 0 305.382 2.165 20 10 DECDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001585125641 1076339524 /nfs/dbraw/zinc/33/95/24/1076339524.db2.gz OYPBAJKMHOKKFH-UKRRQHHQSA-N 1 0 320.433 2.362 20 10 DECDRO CC[N@@H+]1CC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001587551857 1076421421 /nfs/dbraw/zinc/42/14/21/1076421421.db2.gz GNVKKZQUOUURCS-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)c(O)c1 ZINC001592165902 1076864776 /nfs/dbraw/zinc/86/47/76/1076864776.db2.gz NFJHUHRAEATURG-UHFFFAOYSA-N 1 0 313.336 2.310 20 10 DECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655597112 1080007988 /nfs/dbraw/zinc/00/79/88/1080007988.db2.gz KNHJHYQYLBJUHD-KSSFIOAISA-N 1 0 323.456 2.074 20 10 DECDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655688264 1080011690 /nfs/dbraw/zinc/01/16/90/1080011690.db2.gz WEWJCHSYKLYQQY-HUUCEWRRSA-N 1 0 323.456 2.074 20 10 DECDRO CCOCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656181972 1080059860 /nfs/dbraw/zinc/05/98/60/1080059860.db2.gz CWRBFFCKSMGAGZ-WKILWMFISA-N 1 0 320.433 2.025 20 10 DECDRO CCc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC001656458818 1080095501 /nfs/dbraw/zinc/09/55/01/1080095501.db2.gz WBKUUVUEAXGSMO-UHFFFAOYSA-N 1 0 318.396 2.238 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)Cn2cncn2)ccc1OC ZINC001656971817 1080143827 /nfs/dbraw/zinc/14/38/27/1080143827.db2.gz CLPVVAVYWPENPA-CYBMUJFWSA-N 1 0 304.394 2.002 20 10 DECDRO C[NH+](C)CCN(Cc1cc(F)c(F)cc1O)C[C@H]1CCCO1 ZINC001658006205 1080192730 /nfs/dbraw/zinc/19/27/30/1080192730.db2.gz LHBQSSJDWJZYEO-CYBMUJFWSA-N 1 0 314.376 2.213 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3COC(C)(C)O3)C2)cc1 ZINC001658537725 1080210679 /nfs/dbraw/zinc/21/06/79/1080210679.db2.gz KIAXUBGPWQBMDV-CKEIUWERSA-N 1 0 320.433 2.404 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2c(C)cc(OC)cc2O)on1 ZINC001658748498 1080216005 /nfs/dbraw/zinc/21/60/05/1080216005.db2.gz KRTHNBFGEHZINH-UHFFFAOYSA-N 1 0 320.345 2.164 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC001662318866 1080595615 /nfs/dbraw/zinc/59/56/15/1080595615.db2.gz HSDMTYDHOOBMRP-GJZGRUSLSA-N 1 0 302.418 2.221 20 10 DECDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001663562005 1080775154 /nfs/dbraw/zinc/77/51/54/1080775154.db2.gz JHXNDJSKKSOVSP-UHFFFAOYSA-N 1 0 323.824 2.425 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC001664746921 1080953996 /nfs/dbraw/zinc/95/39/96/1080953996.db2.gz QLLJITRJTGKRCW-SUMWQHHRSA-N 1 0 317.389 2.144 20 10 DECDRO COC[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666865226 1081188252 /nfs/dbraw/zinc/18/82/52/1081188252.db2.gz RALPNCUKWSQCGD-CABCVRRESA-N 1 0 322.449 2.223 20 10 DECDRO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCF ZINC001269515393 1081272464 /nfs/dbraw/zinc/27/24/64/1081272464.db2.gz GUWZWUNZGMRALI-LBPRGKRZSA-N 1 0 323.372 2.307 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccn2C)cc1C ZINC001266923503 1082455836 /nfs/dbraw/zinc/45/58/36/1082455836.db2.gz ISDSEUZQXKITAV-CQSZACIVSA-N 1 0 315.417 2.250 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccncc2)cc1C ZINC001483105543 1082710980 /nfs/dbraw/zinc/71/09/80/1082710980.db2.gz YYSGXBUNMKVCEN-CQSZACIVSA-N 1 0 313.401 2.307 20 10 DECDRO CCc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276805547 1083623359 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300.402 2.001 20 10 DECDRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC001235674079 1084496377 /nfs/dbraw/zinc/49/63/77/1084496377.db2.gz DJQKTKGXEXYQHD-UHFFFAOYSA-N 1 0 305.422 2.322 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001143104346 1085696475 /nfs/dbraw/zinc/69/64/75/1085696475.db2.gz SBNDZLRHEMRYNH-QAPCUYQASA-N 1 0 307.434 2.255 20 10 DECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706834237 1086651860 /nfs/dbraw/zinc/65/18/60/1086651860.db2.gz PPMVQQLGXGCLGJ-PELKAZGASA-N 1 0 320.252 2.357 20 10 DECDRO CNC(=O)C(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706807798 1086652165 /nfs/dbraw/zinc/65/21/65/1086652165.db2.gz FUSVZQZKBNWUHL-UHFFFAOYSA-N 1 0 315.211 2.017 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c(O)c1 ZINC001274653920 1091353104 /nfs/dbraw/zinc/35/31/04/1091353104.db2.gz BFGKFROUZNMKGP-OAHLLOKOSA-N 1 0 302.418 2.303 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CCCO2)cc1C ZINC001275085787 1091548164 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SNUQLXXGYPRFRP-HOTGVXAUSA-N 1 0 321.852 2.065 20 10 DECDRO CN1CCCc2cc(CN3CC[NH2+]C[C@@H]3C(F)(F)F)ccc21 ZINC001236977761 1138473919 /nfs/dbraw/zinc/47/39/19/1138473919.db2.gz VYAXEOYHCLHALY-OAHLLOKOSA-N 1 0 313.367 2.405 20 10 DECDRO CCOc1ccc(CN2CCc3c(ncnc3OC)C2)c(O)c1 ZINC001237041500 1138486378 /nfs/dbraw/zinc/48/63/78/1138486378.db2.gz MLXMESRPRRKSQB-UHFFFAOYSA-N 1 0 315.373 2.148 20 10 DECDRO CCOc1ccc(CN2CC[N@@H+]3C[C@H](OCC)C[C@H]3C2)c(O)c1 ZINC001237042261 1138486819 /nfs/dbraw/zinc/48/68/19/1138486819.db2.gz ZFTBWURHAIHAFG-DOTOQJQBSA-N 1 0 320.433 2.086 20 10 DECDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237056817 1138492247 /nfs/dbraw/zinc/49/22/47/1138492247.db2.gz OQEUURQPOKJODG-GFCCVEGCSA-N 1 0 318.339 2.469 20 10 DECDRO CC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C1CN(C)C1 ZINC001237116043 1138506941 /nfs/dbraw/zinc/50/69/41/1138506941.db2.gz WPKMLDUCECUMKF-UHFFFAOYSA-N 1 0 304.312 2.427 20 10 DECDRO CC(C)C[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237203614 1138529917 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CCCC[C@H](C)NC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239222787 1138995068 /nfs/dbraw/zinc/99/50/68/1138995068.db2.gz JSQUAGWHRNRMHR-HNNXBMFYSA-N 1 0 318.465 2.474 20 10 DECDRO O=c1cc(-c2cnn(C3C[NH2+]C3)c2)ccn1Cc1ccc(F)cc1 ZINC001241613757 1139835223 /nfs/dbraw/zinc/83/52/23/1139835223.db2.gz ALWZHVQAOUXKFX-UHFFFAOYSA-N 1 0 324.359 2.044 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1O ZINC001318835089 1140431671 /nfs/dbraw/zinc/43/16/71/1140431671.db2.gz BKQJHDCZZZQZBR-ZIAGYGMSSA-N 1 0 321.421 2.073 20 10 DECDRO CCOc1ccc(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)cc1 ZINC001319624860 1140627551 /nfs/dbraw/zinc/62/75/51/1140627551.db2.gz ZTLQFFPXMFGOFJ-QGZVFWFLSA-N 1 0 319.449 2.074 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC001319731602 1140697958 /nfs/dbraw/zinc/69/79/58/1140697958.db2.gz SPFPJHDLTJWUTH-UHFFFAOYSA-N 1 0 300.406 2.104 20 10 DECDRO CNC(=O)C1([NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001320486889 1140870865 /nfs/dbraw/zinc/87/08/65/1140870865.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001338766430 1142877208 /nfs/dbraw/zinc/87/72/08/1142877208.db2.gz NTGNOXQTVGBBIY-SHTZXODSSA-N 1 0 304.438 2.021 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001254815600 1143327330 /nfs/dbraw/zinc/32/73/30/1143327330.db2.gz ZIIUXYSCIWJXGW-UHFFFAOYSA-N 1 0 323.780 2.456 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](N)C(F)F)cc1 ZINC001341641874 1143645971 /nfs/dbraw/zinc/64/59/71/1143645971.db2.gz AHYMWHZGKUNEKB-CQSZACIVSA-N 1 0 313.392 2.474 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001261560382 1144256835 /nfs/dbraw/zinc/25/68/35/1144256835.db2.gz PIHMFCDQFMGKBJ-OAHLLOKOSA-N 1 0 307.434 2.469 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001353404287 1151828764 /nfs/dbraw/zinc/82/87/64/1151828764.db2.gz WUSFRMZBOUKPRO-HNNXBMFYSA-N 1 0 304.438 2.188 20 10 DECDRO Cc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+](C)C(C)C ZINC001290719470 1146840708 /nfs/dbraw/zinc/84/07/08/1146840708.db2.gz 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C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286986901 131259194 /nfs/dbraw/zinc/25/91/94/131259194.db2.gz GWOUIDNCIOTARM-HSRYQADGSA-N 1 0 316.401 2.196 20 10 DECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccccc1 ZINC000288549179 131330189 /nfs/dbraw/zinc/33/01/89/131330189.db2.gz LIJQTXXCTJEEOJ-PIGZYNQJSA-N 1 0 301.342 2.333 20 10 DECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290055031 131449774 /nfs/dbraw/zinc/44/97/74/131449774.db2.gz UIJUGIKPQIRGNR-IAGOWNOFSA-N 1 0 301.434 2.291 20 10 DECDRO C[C@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCC[C@H](C)C1 ZINC000299517329 132109608 /nfs/dbraw/zinc/10/96/08/132109608.db2.gz PKOJICTWEXZNDD-UONOGXRCSA-N 1 0 305.422 2.312 20 10 DECDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000114508536 401802530 /nfs/dbraw/zinc/80/25/30/401802530.db2.gz MBGYJUSSZVYMQQ-KRWDZBQOSA-N 1 0 301.342 2.118 20 10 DECDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000078640213 401859625 /nfs/dbraw/zinc/85/96/25/401859625.db2.gz ZOXQQJGIMCLBHR-AWEZNQCLSA-N 1 0 310.463 2.200 20 10 DECDRO Cc1nsc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000093663594 402018386 /nfs/dbraw/zinc/01/83/86/402018386.db2.gz ZENCPJZISDLMQF-UHFFFAOYSA-N 1 0 304.419 2.183 20 10 DECDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000184921106 402309846 /nfs/dbraw/zinc/30/98/46/402309846.db2.gz CDYCTCUMXDQEAQ-LBPRGKRZSA-N 1 0 322.430 2.135 20 10 DECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345082 402346176 /nfs/dbraw/zinc/34/61/76/402346176.db2.gz BWASJZQMCQFWHE-GJZGRUSLSA-N 1 0 323.456 2.456 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452423 402346360 /nfs/dbraw/zinc/34/63/60/402346360.db2.gz IKCDQLQXEOJXHN-IUODEOHRSA-N 1 0 307.390 2.410 20 10 DECDRO COCCOCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185136941 402327073 /nfs/dbraw/zinc/32/70/73/402327073.db2.gz HEDLDIRKSPFDHQ-SNVBAGLBSA-N 1 0 318.211 2.468 20 10 DECDRO COCCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185144871 402328115 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COc1cc(N2CC[NH+](CC3CC3)CC2)cc(OC)c1OC ZINC000183697614 402789771 /nfs/dbraw/zinc/78/97/71/402789771.db2.gz QFOJWIPGPPXPGE-UHFFFAOYSA-N 1 0 306.406 2.244 20 10 DECDRO NC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271415935 402868656 /nfs/dbraw/zinc/86/86/56/402868656.db2.gz YMRBMQAFUCALPI-INIZCTEOSA-N 1 0 311.385 2.302 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000280863028 403044468 /nfs/dbraw/zinc/04/44/68/403044468.db2.gz CHPQZTQHAGCABC-CYBMUJFWSA-N 1 0 310.463 2.371 20 10 DECDRO Oc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281700897 403082998 /nfs/dbraw/zinc/08/29/98/403082998.db2.gz COGRHEWDSJLQFZ-QUCCMNQESA-N 1 0 324.424 2.477 20 10 DECDRO CCCC[N@H+](CCCOC(=O)NC(N)=O)Cc1ccccc1O ZINC000282492346 403155685 /nfs/dbraw/zinc/15/56/85/403155685.db2.gz PXHAXFRHKCATEI-UHFFFAOYSA-N 1 0 323.393 2.189 20 10 DECDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1(CO)CCC1 ZINC000292871161 403380884 /nfs/dbraw/zinc/38/08/84/403380884.db2.gz WKZCULIPMUVXNX-MRXNPFEDSA-N 1 0 307.390 2.398 20 10 DECDRO CCCOc1ccc(C[NH2+]CCCc2cnn(C)n2)c(O)c1 ZINC000292952328 403384038 /nfs/dbraw/zinc/38/40/38/403384038.db2.gz KSJOEQWBOIRHLQ-UHFFFAOYSA-N 1 0 304.394 2.032 20 10 DECDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293408615 403464590 /nfs/dbraw/zinc/46/45/90/403464590.db2.gz HZFBMTPWAUFWRM-KRWDZBQOSA-N 1 0 303.450 2.409 20 10 DECDRO COc1ccncc1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000293936759 403604452 /nfs/dbraw/zinc/60/44/52/403604452.db2.gz NYGLUOREZFFYFV-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO Oc1cc2c(cc1CN1C[C@@]3(CCCO3)[C@@H]1C1CC1)OCO2 ZINC000294214150 403674334 /nfs/dbraw/zinc/67/43/34/403674334.db2.gz YKKVJJKJILCEOQ-IRXDYDNUSA-N 1 0 303.358 2.264 20 10 DECDRO Oc1ccccc1C[N@H+](CCc1cn[nH]c1)C[C@@H]1CCCO1 ZINC000290055959 404023906 /nfs/dbraw/zinc/02/39/06/404023906.db2.gz PBPGQBZMBFDDOZ-INIZCTEOSA-N 1 0 301.390 2.339 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000290430567 404165425 /nfs/dbraw/zinc/16/54/25/404165425.db2.gz LHEFPYXFEUCTAC-OAHLLOKOSA-N 1 0 319.424 2.336 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1O ZINC000363870475 404232191 /nfs/dbraw/zinc/23/21/91/404232191.db2.gz VRRFZXUJEWDDAR-AAEUAGOBSA-N 1 0 304.369 2.194 20 10 DECDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000368134014 405229861 /nfs/dbraw/zinc/22/98/61/405229861.db2.gz LFWDYJFGJLTSKF-MRXNPFEDSA-N 1 0 301.434 2.374 20 10 DECDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2O)C[C@H](C)O1 ZINC000245589072 225220525 /nfs/dbraw/zinc/22/05/25/225220525.db2.gz FUXUZJBDJDRDCR-HLLBOEOZSA-N 1 0 304.434 2.466 20 10 DECDRO Nc1ccc(CC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000261915437 225258106 /nfs/dbraw/zinc/25/81/06/225258106.db2.gz GVRICQUWPYLKJF-UHFFFAOYSA-N 1 0 301.434 2.288 20 10 DECDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000374901691 227141692 /nfs/dbraw/zinc/14/16/92/227141692.db2.gz WXVABGXNLCFOGJ-NVXWUHKLSA-N 1 0 319.380 2.353 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423083695 230344634 /nfs/dbraw/zinc/34/46/34/230344634.db2.gz GISHGMGDTBUDET-RBUKOAKNSA-N 1 0 313.445 2.343 20 10 DECDRO OC[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2O1 ZINC000662259065 425603800 /nfs/dbraw/zinc/60/38/00/425603800.db2.gz PKRDXFGLRCBPKS-INIZCTEOSA-N 1 0 310.397 2.092 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000269955944 276883966 /nfs/dbraw/zinc/88/39/66/276883966.db2.gz SSZYLZQTUDWKBL-PKOBYXMFSA-N 1 0 314.429 2.327 20 10 DECDRO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000185366794 333207776 /nfs/dbraw/zinc/20/77/76/333207776.db2.gz LVLCIVBALZTVFJ-AWEZNQCLSA-N 1 0 309.429 2.210 20 10 DECDRO CC[NH2+]CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000563335204 333592731 /nfs/dbraw/zinc/59/27/31/333592731.db2.gz VBHSUGKLIJJMEX-UHFFFAOYSA-N 1 0 317.433 2.244 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181186028 519730911 /nfs/dbraw/zinc/73/09/11/519730911.db2.gz BWFBRBAQVFSKHF-CSPWOOARSA-N 1 0 318.417 2.205 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)OCO2 ZINC000372212250 534448520 /nfs/dbraw/zinc/44/85/20/534448520.db2.gz OVVUCKHLWIFQHC-CYBMUJFWSA-N 1 0 305.374 2.369 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000093614048 520554485 /nfs/dbraw/zinc/55/44/85/520554485.db2.gz BCDRZFMYILVYSD-CVEARBPZSA-N 1 0 321.417 2.153 20 10 DECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181139113 521494916 /nfs/dbraw/zinc/49/49/16/521494916.db2.gz WHLAUNKWBOGAGV-KEDPEKRHSA-N 1 0 318.417 2.301 20 10 DECDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000237334251 522069167 /nfs/dbraw/zinc/06/91/67/522069167.db2.gz WSAXPWRUWSUWGE-HNNXBMFYSA-N 1 0 303.450 2.395 20 10 DECDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000264821050 522854681 /nfs/dbraw/zinc/85/46/81/522854681.db2.gz HNUOTIGTMWTCMH-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)CN1CCOCC1 ZINC000180223895 523182673 /nfs/dbraw/zinc/18/26/73/523182673.db2.gz CZRDQNHZGXGYCP-UHFFFAOYSA-N 1 0 310.413 2.322 20 10 DECDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000134005996 524779990 /nfs/dbraw/zinc/77/99/90/524779990.db2.gz GQCJQKUPXQWRBZ-CVEARBPZSA-N 1 0 314.433 2.459 20 10 DECDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180276602 527456996 /nfs/dbraw/zinc/45/69/96/527456996.db2.gz ODLUAIZFHJZUOW-WBMJQRKESA-N 1 0 319.380 2.210 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000371262583 528266124 /nfs/dbraw/zinc/26/61/24/528266124.db2.gz NYSIZMQWSXLKSX-GOSISDBHSA-N 1 0 319.424 2.241 20 10 DECDRO CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000273153555 535424998 /nfs/dbraw/zinc/42/49/98/535424998.db2.gz IJRVKZCLCQGZFQ-OCCSQVGLSA-N 1 0 308.422 2.265 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000280863030 535765696 /nfs/dbraw/zinc/76/56/96/535765696.db2.gz CHPQZTQHAGCABC-ZDUSSCGKSA-N 1 0 310.463 2.371 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000835043244 649870680 /nfs/dbraw/zinc/87/06/80/649870680.db2.gz OEWDNDHPUKYTOT-SNAWJCMRSA-N 1 0 322.474 2.180 20 10 DECDRO COC1(CO)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835051809 649872502 /nfs/dbraw/zinc/87/25/02/649872502.db2.gz JYJNICNFISEKDF-PLNGDYQASA-N 1 0 304.434 2.239 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000835055571 649872935 /nfs/dbraw/zinc/87/29/35/649872935.db2.gz WPCRBOWWRLRREA-PXPSOEEZSA-N 1 0 317.477 2.202 20 10 DECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC001327702293 1148627987 /nfs/dbraw/zinc/62/79/87/1148627987.db2.gz IQBOUTZISPLASM-UHFFFAOYSA-N 1 0 306.406 2.401 20 10 DECDRO CC[N@H+]1[C@H](C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000930883384 625454513 /nfs/dbraw/zinc/45/45/13/625454513.db2.gz RHLIXVCEFDEDMB-CALCHBBNSA-N 1 0 317.477 2.438 20 10 DECDRO COc1cc(C(=O)NC2CCC([NH2+]C(C)C)CC2)cc(OC)n1 ZINC001026522171 625497317 /nfs/dbraw/zinc/49/73/17/625497317.db2.gz SLCKDZJNSXAZKC-UHFFFAOYSA-N 1 0 321.421 2.138 20 10 DECDRO COc1ccc(C[NH2+]CCCn2nc(C)cc2C)c(O)c1OC ZINC000892413065 625509409 /nfs/dbraw/zinc/50/94/09/625509409.db2.gz CVMPZQFJEYQRHC-UHFFFAOYSA-N 1 0 319.405 2.403 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[NH2+]C(C)(C)C)ccc21 ZINC000931152153 625569774 /nfs/dbraw/zinc/56/97/74/625569774.db2.gz IPTYTIMNIUYHRN-UHFFFAOYSA-N 1 0 303.450 2.463 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC000969901890 622984085 /nfs/dbraw/zinc/98/40/85/622984085.db2.gz CWNWHVFEWSRNDR-OAHLLOKOSA-N 1 0 320.408 2.444 20 10 DECDRO Cc1cc(N(C)C)ccc1CN(CCS(C)(=O)=O)C(C)C ZINC000840918005 625688338 /nfs/dbraw/zinc/68/83/38/625688338.db2.gz XWMCDCGAIWOJGT-UHFFFAOYSA-N 1 0 312.479 2.316 20 10 DECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891389027 624136535 /nfs/dbraw/zinc/13/65/35/624136535.db2.gz AFHUWGVYQBCVNU-ZDUSSCGKSA-N 1 0 323.389 2.185 20 10 DECDRO CCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891423230 624159335 /nfs/dbraw/zinc/15/93/35/624159335.db2.gz JZUHZSDZIOYCKQ-INIZCTEOSA-N 1 0 306.454 2.455 20 10 DECDRO CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000891812315 624611828 /nfs/dbraw/zinc/61/18/28/624611828.db2.gz AFBFMSJEUFMRKC-CZUORRHYSA-N 1 0 304.438 2.207 20 10 DECDRO Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(O)c1O ZINC000177675765 625056214 /nfs/dbraw/zinc/05/62/14/625056214.db2.gz OJLSIFWDTLRUPL-WCQYABFASA-N 1 0 306.406 2.256 20 10 DECDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)N1CCCC1 ZINC000892556034 625145654 /nfs/dbraw/zinc/14/56/54/625145654.db2.gz ZLISCFISVHSDMB-CQSZACIVSA-N 1 0 308.422 2.373 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2O ZINC000840884607 625192997 /nfs/dbraw/zinc/19/29/97/625192997.db2.gz RWDDMPYLTDKYEQ-SKDRFNHKSA-N 1 0 313.394 2.246 20 10 DECDRO CC1(C)OC[C@H](C[NH2+]Cc2ccc(N3CCSCC3)cc2)O1 ZINC000892611920 625193912 /nfs/dbraw/zinc/19/39/12/625193912.db2.gz CKZRMAZNKLUBPW-INIZCTEOSA-N 1 0 322.474 2.481 20 10 DECDRO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000182357016 625255022 /nfs/dbraw/zinc/25/50/22/625255022.db2.gz APFWLKPRQZFRSU-JTQLQIEISA-N 1 0 303.362 2.310 20 10 DECDRO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000308616579 625776529 /nfs/dbraw/zinc/77/65/29/625776529.db2.gz XRPROWFEGLDYDH-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c(O)c1OC ZINC000892510718 625955494 /nfs/dbraw/zinc/95/54/94/625955494.db2.gz SBBIEDYHMAQLIM-LBPRGKRZSA-N 1 0 319.405 2.340 20 10 DECDRO CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671905 633810625 /nfs/dbraw/zinc/81/06/25/633810625.db2.gz LADZZPAYFIBXII-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009678915 633825122 /nfs/dbraw/zinc/82/51/22/633825122.db2.gz ZTDPFDRATRRDRY-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO COc1ccc(C[NH+]2CCC(CCCO)CC2)c(O)c1OC ZINC000893503899 633984768 /nfs/dbraw/zinc/98/47/68/633984768.db2.gz WDLQKCGDTXCQDT-UHFFFAOYSA-N 1 0 309.406 2.394 20 10 DECDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784811 635222722 /nfs/dbraw/zinc/22/27/22/635222722.db2.gz SKYCPMBMXVUNQZ-VHSXEESVSA-N 1 0 315.320 2.196 20 10 DECDRO CCOC(=O)CN(Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000893641503 635626538 /nfs/dbraw/zinc/62/65/38/635626538.db2.gz WEECSZRCQVMDRL-UHFFFAOYSA-N 1 0 323.389 2.327 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccco2)c(O)c1OC ZINC000893645191 635669473 /nfs/dbraw/zinc/66/94/73/635669473.db2.gz IATCBZFSOCCRMN-LBPRGKRZSA-N 1 0 307.346 2.216 20 10 DECDRO COc1ccc(N2CCC([NH2+]C3(CC(N)=O)CCC3)CC2)cc1 ZINC000921970104 635772934 /nfs/dbraw/zinc/77/29/34/635772934.db2.gz DRBBAIALNAVGNE-UHFFFAOYSA-N 1 0 317.433 2.052 20 10 DECDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc2ccccc2c1O ZINC000186511215 635845677 /nfs/dbraw/zinc/84/56/77/635845677.db2.gz UHLQKIRJEMDLER-GFCCVEGCSA-N 1 0 324.384 2.349 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1O ZINC000840974690 635985626 /nfs/dbraw/zinc/98/56/26/635985626.db2.gz MWYIWWZCVPRRDD-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c(O)c1OC ZINC000893912839 636063840 /nfs/dbraw/zinc/06/38/40/636063840.db2.gz KIYICQQNKPIYEY-SCRDCRAPSA-N 1 0 309.406 2.391 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)C(OC)OC)cc1Cn1cccn1 ZINC000922314130 636079752 /nfs/dbraw/zinc/07/97/52/636079752.db2.gz VEEZHQWYRGDLCA-ZDUSSCGKSA-N 1 0 319.405 2.037 20 10 DECDRO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3[O-])CC2)C1 ZINC000841104068 636153422 /nfs/dbraw/zinc/15/34/22/636153422.db2.gz MYFDALYZQBWBIF-ZBFHGGJFSA-N 1 0 308.397 2.250 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000178755510 636229679 /nfs/dbraw/zinc/22/96/79/636229679.db2.gz ZZRQFAJPMYUMJP-OAHLLOKOSA-N 1 0 321.490 2.244 20 10 DECDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000922574773 636246683 /nfs/dbraw/zinc/24/66/83/636246683.db2.gz SWDGUBUYZNYTHZ-OAHLLOKOSA-N 1 0 318.421 2.379 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922588752 636260921 /nfs/dbraw/zinc/26/09/21/636260921.db2.gz AGBRPJFNEQXZBV-OAHLLOKOSA-N 1 0 309.429 2.092 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000923008918 636909137 /nfs/dbraw/zinc/90/91/37/636909137.db2.gz ZPXFGLOGQBVPRW-JLIMDTESSA-N 1 0 316.195 2.024 20 10 DECDRO COc1ccc(C[NH2+]Cc2c3c(nn2C)CCSC3)c(O)c1 ZINC000894640503 637145067 /nfs/dbraw/zinc/14/50/67/637145067.db2.gz ZADSWPBGFWYTRZ-UHFFFAOYSA-N 1 0 319.430 2.213 20 10 DECDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894782103 637209499 /nfs/dbraw/zinc/20/94/99/637209499.db2.gz VTMHGIJAWJDGGV-GFCCVEGCSA-N 1 0 312.360 2.409 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NCCCCF)[NH+](C)C)cc1 ZINC000894996820 637369352 /nfs/dbraw/zinc/36/93/52/637369352.db2.gz ICYCLPYCTXEEJY-INIZCTEOSA-N 1 0 324.444 2.404 20 10 DECDRO CCn1nncc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841887102 637957243 /nfs/dbraw/zinc/95/72/43/637957243.db2.gz FEHOAXBGKUDVGJ-CQSZACIVSA-N 1 0 301.438 2.393 20 10 DECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840921254 650383498 /nfs/dbraw/zinc/38/34/98/650383498.db2.gz PROODLBRNXZNDW-INIZCTEOSA-N 1 0 303.450 2.361 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCOCC1(C)C ZINC000840936087 650389120 /nfs/dbraw/zinc/38/91/20/650389120.db2.gz GRSUUCLEKLHBEK-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000840938063 650390296 /nfs/dbraw/zinc/39/02/96/650390296.db2.gz CKRLYWIIKVBWAJ-INIZCTEOSA-N 1 0 319.493 2.338 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840945360 650392781 /nfs/dbraw/zinc/39/27/81/650392781.db2.gz LGEYCPQXFFAMGU-HNNXBMFYSA-N 1 0 309.479 2.018 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)OCO2 ZINC000840956171 650394896 /nfs/dbraw/zinc/39/48/96/650394896.db2.gz KGOGOPZMVVOEDI-CABCVRRESA-N 1 0 313.353 2.429 20 10 DECDRO C/C=C/CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896018497 638312955 /nfs/dbraw/zinc/31/29/55/638312955.db2.gz OOFSPBAFIGNRRD-MOEXGYKKSA-N 1 0 304.438 2.231 20 10 DECDRO COc1cc(Br)cc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841041654 650411667 /nfs/dbraw/zinc/41/16/67/650411667.db2.gz CVWSESZWYRTGDP-LLVKDONJSA-N 1 0 315.211 2.005 20 10 DECDRO COc1cc(Cl)cc(CN[C@@H](CC[NH3+])C(F)(F)F)c1O ZINC000841090254 650428743 /nfs/dbraw/zinc/42/87/43/650428743.db2.gz HJTYNGGMVZRAHS-JTQLQIEISA-N 1 0 312.719 2.424 20 10 DECDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H]1C ZINC000896471810 638531651 /nfs/dbraw/zinc/53/16/51/638531651.db2.gz UGGNOGCRHHDWQY-DGCLKSJQSA-N 1 0 323.389 2.040 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)c1 ZINC000896471854 638531970 /nfs/dbraw/zinc/53/19/70/638531970.db2.gz FEPZJZGIOSFQGZ-CHWSQXEVSA-N 1 0 307.390 2.422 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1 ZINC000896460441 638534256 /nfs/dbraw/zinc/53/42/56/638534256.db2.gz LBNOTPDSEHRZDI-QGZVFWFLSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000896955122 639097195 /nfs/dbraw/zinc/09/71/95/639097195.db2.gz XFKLWHRUFAVNNA-ZXFUBFMLSA-N 1 0 322.474 2.259 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000897261925 639294882 /nfs/dbraw/zinc/29/48/82/639294882.db2.gz ONWNGUBESKNQOJ-OAHLLOKOSA-N 1 0 321.417 2.297 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000754085701 639384486 /nfs/dbraw/zinc/38/44/86/639384486.db2.gz OMZIUFWBTCUBQO-AWEZNQCLSA-N 1 0 310.463 2.200 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCc2nncn2CC)cc1 ZINC000754347998 639419030 /nfs/dbraw/zinc/41/90/30/639419030.db2.gz CBJCYEYLSPTPQN-UHFFFAOYSA-N 1 0 301.438 2.477 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000304489623 639456934 /nfs/dbraw/zinc/45/69/34/639456934.db2.gz CTMCXRULFQEGAS-INIZCTEOSA-N 1 0 320.364 2.079 20 10 DECDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305121568 639461533 /nfs/dbraw/zinc/46/15/33/639461533.db2.gz JSQWYUYYCDDPIT-UKRRQHHQSA-N 1 0 310.413 2.474 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000754732486 639466389 /nfs/dbraw/zinc/46/63/89/639466389.db2.gz NSPLXWSFXUQPDW-CQSZACIVSA-N 1 0 307.390 2.437 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC2(CC)CC)c1 ZINC000897344714 639523851 /nfs/dbraw/zinc/52/38/51/639523851.db2.gz GPSFNPRAJMQFBT-HNNXBMFYSA-N 1 0 306.406 2.185 20 10 DECDRO CC(C)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000755995796 639613136 /nfs/dbraw/zinc/61/31/36/639613136.db2.gz NLZKDWBFZFMEER-MRXNPFEDSA-N 1 0 303.450 2.347 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000756112729 639626801 /nfs/dbraw/zinc/62/68/01/639626801.db2.gz GZWYYMKLIGMSFG-KDOFPFPSSA-N 1 0 303.450 2.204 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000756481636 639665115 /nfs/dbraw/zinc/66/51/15/639665115.db2.gz FBWZVKNTPJGSKV-LBPRGKRZSA-N 1 0 314.451 2.069 20 10 DECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756573588 639676985 /nfs/dbraw/zinc/67/69/85/639676985.db2.gz BHHJCZDBCWZLSH-ZANVPECISA-N 1 0 318.211 2.203 20 10 DECDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839564347 639755238 /nfs/dbraw/zinc/75/52/38/639755238.db2.gz QIXGJUJZSOJWRQ-PBHICJAKSA-N 1 0 303.450 2.489 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1F ZINC000841761324 650558509 /nfs/dbraw/zinc/55/85/09/650558509.db2.gz OVJUFSNXVOYJDE-CYBMUJFWSA-N 1 0 322.428 2.162 20 10 DECDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762113 650559303 /nfs/dbraw/zinc/55/93/03/650559303.db2.gz VFVABCLBEIMYTK-CYBMUJFWSA-N 1 0 310.417 2.208 20 10 DECDRO C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841762615 650559378 /nfs/dbraw/zinc/55/93/78/650559378.db2.gz YUBXVZIMTLTGDR-GXTWGEPZSA-N 1 0 322.428 2.018 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841825017 650571767 /nfs/dbraw/zinc/57/17/67/650571767.db2.gz WNFBGYZEDMBMNA-CABCVRRESA-N 1 0 304.438 2.130 20 10 DECDRO CCOc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1 ZINC000762484812 640431439 /nfs/dbraw/zinc/43/14/39/640431439.db2.gz WJGDMSNNLCITHS-OAHLLOKOSA-N 1 0 322.449 2.381 20 10 DECDRO [NH3+]C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000841856072 650581418 /nfs/dbraw/zinc/58/14/18/650581418.db2.gz GDPTYHFLOOWTPD-NSHDSACASA-N 1 0 314.480 2.006 20 10 DECDRO CN(C)c1ccc([C@H](CNc2cc(F)ncn2)[NH+](C)C)cc1 ZINC000897523926 640543087 /nfs/dbraw/zinc/54/30/87/640543087.db2.gz ZQOBDNXJCDXMNC-AWEZNQCLSA-N 1 0 303.385 2.397 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881554 650591054 /nfs/dbraw/zinc/59/10/54/650591054.db2.gz SFNOXECPPWAKSC-OFQRWUPVSA-N 1 0 318.465 2.440 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841880529 650591329 /nfs/dbraw/zinc/59/13/29/650591329.db2.gz BVZMLQZWDKWOGV-DZGCQCFKSA-N 1 0 306.454 2.486 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1 ZINC000841891376 650594385 /nfs/dbraw/zinc/59/43/85/650594385.db2.gz YCNHVSJFWZOPQV-UHFFFAOYSA-N 1 0 309.406 2.058 20 10 DECDRO Cc1cc(Cl)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841890578 650594486 /nfs/dbraw/zinc/59/44/86/650594486.db2.gz CUVBUOXYDAWTHC-CHWSQXEVSA-N 1 0 312.841 2.241 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)NCC1CC[NH2+]CC1 ZINC000841924136 650603565 /nfs/dbraw/zinc/60/35/65/650603565.db2.gz UQNIIEIRYGGGAB-UHFFFAOYSA-N 1 0 317.433 2.070 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000765289691 640762201 /nfs/dbraw/zinc/76/22/01/640762201.db2.gz FKIXTLDVZWHMQS-CQSZACIVSA-N 1 0 318.339 2.177 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH2+]C(C)C ZINC000841933750 650605752 /nfs/dbraw/zinc/60/57/52/650605752.db2.gz HSCFPKQPCAYFKF-UHFFFAOYSA-N 1 0 306.454 2.248 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000841941018 650607062 /nfs/dbraw/zinc/60/70/62/650607062.db2.gz VXFSITONEUXUFL-HNNXBMFYSA-N 1 0 305.422 2.441 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925313808 640811970 /nfs/dbraw/zinc/81/19/70/640811970.db2.gz PNVPMXDJSIVUEZ-WMLDXEAASA-N 1 0 318.465 2.377 20 10 DECDRO O=C1NCCN1CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000897581700 640822501 /nfs/dbraw/zinc/82/25/01/640822501.db2.gz HEACDGBUFLRNTI-UHFFFAOYSA-N 1 0 323.824 2.283 20 10 DECDRO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000729681402 640825695 /nfs/dbraw/zinc/82/56/95/640825695.db2.gz ACWGUYWIRKEESA-HNNXBMFYSA-N 1 0 318.421 2.379 20 10 DECDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765934038 640829633 /nfs/dbraw/zinc/82/96/33/640829633.db2.gz GEVBOSIJLBFWNE-FZKQIMNGSA-N 1 0 322.424 2.474 20 10 DECDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979457 640836537 /nfs/dbraw/zinc/83/65/37/640836537.db2.gz UHPBXAAFPZFQBL-CABCVRRESA-N 1 0 324.490 2.446 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000841958791 650612672 /nfs/dbraw/zinc/61/26/72/650612672.db2.gz SWBUAFMHKMFZHA-PBHICJAKSA-N 1 0 318.465 2.326 20 10 DECDRO CCCN(CCC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841957507 650612736 /nfs/dbraw/zinc/61/27/36/650612736.db2.gz CDNQEHIRFZQKNV-UHFFFAOYSA-N 1 0 306.454 2.185 20 10 DECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961972 650614321 /nfs/dbraw/zinc/61/43/21/650614321.db2.gz JAHJEXQVYHQSEA-PBHICJAKSA-N 1 0 316.449 2.080 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CC[NH3+] ZINC000841966856 650615310 /nfs/dbraw/zinc/61/53/10/650615310.db2.gz GVTUGQVWOYCUMZ-CQSZACIVSA-N 1 0 306.454 2.410 20 10 DECDRO COc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c(O)c1OC ZINC000897774986 640922155 /nfs/dbraw/zinc/92/21/55/640922155.db2.gz WYXTUNZWXPOADA-BLQFLSLASA-N 1 0 307.390 2.457 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841977625 650618053 /nfs/dbraw/zinc/61/80/53/650618053.db2.gz NPALRYFHBXIAOX-HIFRSBDPSA-N 1 0 305.422 2.312 20 10 DECDRO C[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841982536 650618948 /nfs/dbraw/zinc/61/89/48/650618948.db2.gz OGXLKTHTXUSXKN-AWEZNQCLSA-N 1 0 304.438 2.166 20 10 DECDRO C[C@@H]([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841989621 650621068 /nfs/dbraw/zinc/62/10/68/650621068.db2.gz VUCSEADPFDBHDR-GFCCVEGCSA-N 1 0 303.362 2.044 20 10 DECDRO COc1ccc(C[NH2+]C2CC(CCO)C2)cc1Cn1cccn1 ZINC000898015917 641001528 /nfs/dbraw/zinc/00/15/28/641001528.db2.gz UOQNMJDMBCXKKL-UHFFFAOYSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000898114243 641024984 /nfs/dbraw/zinc/02/49/84/641024984.db2.gz BDCHNKIWVDIJNG-LRDDRELGSA-N 1 0 307.390 2.390 20 10 DECDRO Cn1nc(Br)cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841038153 641025850 /nfs/dbraw/zinc/02/58/50/641025850.db2.gz GNPHFVFTTJNBCQ-UHFFFAOYSA-N 1 0 309.211 2.097 20 10 DECDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000842009518 650627256 /nfs/dbraw/zinc/62/72/56/650627256.db2.gz BTMZVYQQIHNNSN-JSGCOSHPSA-N 1 0 317.433 2.198 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCc3ccccc3CC1)[C@@H](O)CO2 ZINC000768444715 641082386 /nfs/dbraw/zinc/08/23/86/641082386.db2.gz BPEMNSLYTCEUFY-SFHVURJKSA-N 1 0 311.381 2.419 20 10 DECDRO CN(c1cccc(C[NH2+]Cc2ccccc2O)c1)S(C)(=O)=O ZINC000898286127 641084814 /nfs/dbraw/zinc/08/48/14/641084814.db2.gz CEPVZVGMIXBIOH-UHFFFAOYSA-N 1 0 320.414 2.078 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768467065 641085660 /nfs/dbraw/zinc/08/56/60/641085660.db2.gz WVBGYTJGYIOYDF-MRXNPFEDSA-N 1 0 319.401 2.353 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000769381378 641229960 /nfs/dbraw/zinc/22/99/60/641229960.db2.gz OPJRBEZSVUHLGX-GXFFZTMASA-N 1 0 305.296 2.288 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(C[NH3+])c1 ZINC000322846876 641238671 /nfs/dbraw/zinc/23/86/71/641238671.db2.gz NEFOECAXPGDFQR-UHFFFAOYSA-N 1 0 312.417 2.269 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c(O)c1 ZINC000769468732 641245933 /nfs/dbraw/zinc/24/59/33/641245933.db2.gz OXPWZYMBCRUNHL-UHFFFAOYSA-N 1 0 306.406 2.268 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838076 641246634 /nfs/dbraw/zinc/24/66/34/641246634.db2.gz JNYCHDVOOGNUOS-MFKMUULPSA-N 1 0 321.356 2.011 20 10 DECDRO CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989839269 641247641 /nfs/dbraw/zinc/24/76/41/641247641.db2.gz XGPVFCAVGYPTQK-GWCFXTLKSA-N 1 0 303.366 2.062 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000769508493 641252771 /nfs/dbraw/zinc/25/27/71/641252771.db2.gz QWPGPYUJXAGMEV-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000770752327 641416258 /nfs/dbraw/zinc/41/62/58/641416258.db2.gz MHVPCAMJTCQCRU-YOEHRIQHSA-N 1 0 307.390 2.219 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H]2CCCOC2)N(C)C)cc1 ZINC000898449453 641660589 /nfs/dbraw/zinc/66/05/89/641660589.db2.gz GEMQQZLVFSKMRO-QAPCUYQASA-N 1 0 305.466 2.372 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898450951 641662028 /nfs/dbraw/zinc/66/20/28/641662028.db2.gz WHJHZUOCDDGUHC-SFHVURJKSA-N 1 0 313.449 2.244 20 10 DECDRO Cc1nocc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449678 641662101 /nfs/dbraw/zinc/66/21/01/641662101.db2.gz IVRDCQLRXKIQFM-QGZVFWFLSA-N 1 0 302.422 2.442 20 10 DECDRO Cc1c[nH]c(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000898447393 641665070 /nfs/dbraw/zinc/66/50/70/641665070.db2.gz JBTIPQGOOBXPAD-INIZCTEOSA-N 1 0 301.438 2.177 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c(O)c1C ZINC000927143766 641763804 /nfs/dbraw/zinc/76/38/04/641763804.db2.gz HBEWNVUTXBTIJP-CHWSQXEVSA-N 1 0 300.406 2.346 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000773752120 641820082 /nfs/dbraw/zinc/82/00/82/641820082.db2.gz HYSHIFBLVMDIAO-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257990 642022360 /nfs/dbraw/zinc/02/23/60/642022360.db2.gz NYIASANYIWMYJA-AWEZNQCLSA-N 1 0 306.406 2.127 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000775382366 642036724 /nfs/dbraw/zinc/03/67/24/642036724.db2.gz VVMRTKOQZXBJHU-GOEBONIOSA-N 1 0 309.431 2.067 20 10 DECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C)c2O)C1 ZINC000775663566 642075383 /nfs/dbraw/zinc/07/53/83/642075383.db2.gz NMKPESDRQNXYFO-HOCLYGCPSA-N 1 0 320.433 2.064 20 10 DECDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775984946 642118891 /nfs/dbraw/zinc/11/88/91/642118891.db2.gz IPWFFVCXDDHMGK-GJZGRUSLSA-N 1 0 321.440 2.187 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000776865996 642213915 /nfs/dbraw/zinc/21/39/15/642213915.db2.gz CEXRQPUFOPKESI-HYVNUMGLSA-N 1 0 323.433 2.480 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000776865994 642214107 /nfs/dbraw/zinc/21/41/07/642214107.db2.gz CEXRQPUFOPKESI-DJIMGWMZSA-N 1 0 323.433 2.480 20 10 DECDRO O=C1N[C@@H](C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)CO1 ZINC000902514629 643061719 /nfs/dbraw/zinc/06/17/19/643061719.db2.gz SYPPLSIIQWHXSE-MRXNPFEDSA-N 1 0 316.401 2.201 20 10 DECDRO Cn1nccc1[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000902576619 643076898 /nfs/dbraw/zinc/07/68/98/643076898.db2.gz VNNUVBVXOZKPIR-SFHVURJKSA-N 1 0 324.384 2.247 20 10 DECDRO Cn1nccc1[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000902576618 643077015 /nfs/dbraw/zinc/07/70/15/643077015.db2.gz VNNUVBVXOZKPIR-GOSISDBHSA-N 1 0 324.384 2.247 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)c1O ZINC000902605673 643083110 /nfs/dbraw/zinc/08/31/10/643083110.db2.gz FGFLUDHHUMARRF-HZPDHXFCSA-N 1 0 321.417 2.479 20 10 DECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000842753025 650817294 /nfs/dbraw/zinc/81/72/94/650817294.db2.gz BGLCNIDGQFIDSJ-RDJZCZTQSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCc2nnnn2C)c1O ZINC000903348431 643322359 /nfs/dbraw/zinc/32/23/59/643322359.db2.gz CDPFIJGJADVDML-JTQLQIEISA-N 1 0 309.801 2.161 20 10 DECDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903404099 643345997 /nfs/dbraw/zinc/34/59/97/643345997.db2.gz ICJPESMRFKZLJM-ACJLOTCBSA-N 1 0 322.424 2.474 20 10 DECDRO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCOC1 ZINC000787335927 643483412 /nfs/dbraw/zinc/48/34/12/643483412.db2.gz VQQQTLFYWNDARZ-ZDUSSCGKSA-N 1 0 315.797 2.292 20 10 DECDRO COc1ccc(N(C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1F ZINC000903902258 643502298 /nfs/dbraw/zinc/50/22/98/643502298.db2.gz FHZIEMWKFLDFRY-ZDUSSCGKSA-N 1 0 320.412 2.130 20 10 DECDRO COc1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000903974241 643531896 /nfs/dbraw/zinc/53/18/96/643531896.db2.gz MXFMNVNHYRSQQN-MRXNPFEDSA-N 1 0 304.434 2.252 20 10 DECDRO COc1ccc(N2CCN(C[C@]3(C)CCC[NH2+]C3)CC2)cc1F ZINC000904346409 643640992 /nfs/dbraw/zinc/64/09/92/643640992.db2.gz TYBXZCQRSSCVDS-GOSISDBHSA-N 1 0 321.440 2.346 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)cc1 ZINC000905024103 643774231 /nfs/dbraw/zinc/77/42/31/643774231.db2.gz IHJMJFSRAPMFRF-OALUTQOASA-N 1 0 314.429 2.327 20 10 DECDRO OCC1(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000905090963 643781208 /nfs/dbraw/zinc/78/12/08/643781208.db2.gz WKAQUYKNSCMYPH-MRXNPFEDSA-N 1 0 305.418 2.015 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790396410 643847397 /nfs/dbraw/zinc/84/73/97/643847397.db2.gz SFDSZVSFCGXKIE-PMUMKWKESA-N 1 0 321.417 2.478 20 10 DECDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000790458196 643855208 /nfs/dbraw/zinc/85/52/08/643855208.db2.gz JFKQVUTZNXWXFC-INIZCTEOSA-N 1 0 300.402 2.078 20 10 DECDRO COCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CC[C@H](C)C1 ZINC000790481644 643858033 /nfs/dbraw/zinc/85/80/33/643858033.db2.gz YABNFBGRFXNXQQ-QEORTHHSSA-N 1 0 321.417 2.455 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CCc1ccc3c[nH]nc3c1)OCO2 ZINC000790620089 643873962 /nfs/dbraw/zinc/87/39/62/643873962.db2.gz VEZJGZOVSIZYCO-UHFFFAOYSA-N 1 0 311.341 2.330 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790932341 643910773 /nfs/dbraw/zinc/91/07/73/643910773.db2.gz NTNOEKDGGWOYCP-OGHNNQOOSA-N 1 0 307.390 2.169 20 10 DECDRO C[C@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000794658623 644455615 /nfs/dbraw/zinc/45/56/15/644455615.db2.gz CKRHVYJMWDHGNY-ACJLOTCBSA-N 1 0 314.385 2.320 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)c(O)c1 ZINC000796455488 644740102 /nfs/dbraw/zinc/74/01/02/644740102.db2.gz XTVASZMKSQPVKD-HNNXBMFYSA-N 1 0 304.394 2.406 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000796515385 644748268 /nfs/dbraw/zinc/74/82/68/644748268.db2.gz SQHQNUWORPPROB-UHFFFAOYSA-N 1 0 310.463 2.200 20 10 DECDRO COc1cc(Br)cc(C[NH2+]Cc2ccno2)c1O ZINC000843402973 650967174 /nfs/dbraw/zinc/96/71/74/650967174.db2.gz SGQXLSCJIFECFI-UHFFFAOYSA-N 1 0 313.151 2.441 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(OC)nc2C)c1 ZINC000799154122 645134455 /nfs/dbraw/zinc/13/44/55/645134455.db2.gz BQAFENHLWHOOLM-NSHDSACASA-N 1 0 303.362 2.359 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000843486389 650983020 /nfs/dbraw/zinc/98/30/20/650983020.db2.gz 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ZINC000808778287 646140453 /nfs/dbraw/zinc/14/04/53/646140453.db2.gz QYUQQUAAYLWIRT-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000809785388 646283712 /nfs/dbraw/zinc/28/37/12/646283712.db2.gz VUSJBSNKOXTKCR-LBPRGKRZSA-N 1 0 316.854 2.311 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1ccc(C(F)(F)F)cc1O ZINC000810241011 646343176 /nfs/dbraw/zinc/34/31/76/646343176.db2.gz KVWDJLAYTSXMOA-CMPLNLGQSA-N 1 0 307.312 2.459 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000164597067 646453087 /nfs/dbraw/zinc/45/30/87/646453087.db2.gz KJJFRWWBAVSWCP-AWEZNQCLSA-N 1 0 316.405 2.213 20 10 DECDRO COc1ccc(N2CCC(NC(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000167241473 646551732 /nfs/dbraw/zinc/55/17/32/646551732.db2.gz HNNQKQIJYRVTBE-KRWDZBQOSA-N 1 0 319.449 2.154 20 10 DECDRO CCN(CC)C(=O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228672554 646636697 /nfs/dbraw/zinc/63/66/97/646636697.db2.gz JXALDUXZMWTUKF-UHFFFAOYSA-N 1 0 300.786 2.012 20 10 DECDRO 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COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000828667803 649207893 /nfs/dbraw/zinc/20/78/93/649207893.db2.gz UXEFOXVSGRRGGF-PZSREKOKSA-N 1 0 306.406 2.486 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000828667650 649208082 /nfs/dbraw/zinc/20/80/82/649208082.db2.gz STYZUYXLVPBRFS-XFBWCDHKSA-N 1 0 318.417 2.214 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000831186063 649550242 /nfs/dbraw/zinc/55/02/42/649550242.db2.gz IPFOPIWAMOHFIR-CZUORRHYSA-N 1 0 316.449 2.255 20 10 DECDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(F)ccc1O ZINC000185578320 649563062 /nfs/dbraw/zinc/56/30/62/649563062.db2.gz HUXYEQSQCQPWLI-NSHDSACASA-N 1 0 318.348 2.246 20 10 DECDRO COc1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)c(O)c1 ZINC000832178058 649681703 /nfs/dbraw/zinc/68/17/03/649681703.db2.gz LVYUYJKAMHEPTO-UHFFFAOYSA-N 1 0 306.406 2.316 20 10 DECDRO CCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCOCC1 ZINC000832267043 649690541 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COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@H]1C1CC1 ZINC000844765448 651167679 /nfs/dbraw/zinc/16/76/79/651167679.db2.gz SCBLQDZHOXSXRL-LSDHHAIUSA-N 1 0 319.401 2.340 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@]2(O)CCCOC2)cc1 ZINC000846106961 651307981 /nfs/dbraw/zinc/30/79/81/651307981.db2.gz MPNWSVOSSWEAPQ-AJNOYIKESA-N 1 0 304.434 2.287 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@@]2(O)CCCOC2)ccc1OC ZINC000846110356 651308308 /nfs/dbraw/zinc/30/83/08/651308308.db2.gz LVYRHIVGSKUMKC-SFHVURJKSA-N 1 0 323.433 2.253 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC000846138997 651310492 /nfs/dbraw/zinc/31/04/92/651310492.db2.gz NVPMOTJNVUPAMR-UONOGXRCSA-N 1 0 317.385 2.491 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1O ZINC000846144275 651310828 /nfs/dbraw/zinc/31/08/28/651310828.db2.gz KCFLNGDBCAZUMN-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846163803 651312240 /nfs/dbraw/zinc/31/22/40/651312240.db2.gz LGSKRNIVSLBLBF-VXGBXAGGSA-N 1 0 308.378 2.282 20 10 DECDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846989635 651367251 /nfs/dbraw/zinc/36/72/51/651367251.db2.gz SYEPIEFALBXKPN-IQCBXXCUSA-N 1 0 304.390 2.054 20 10 DECDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556903 651470458 /nfs/dbraw/zinc/47/04/58/651470458.db2.gz DBMRNURJUGAWDL-HGTKMLMNSA-N 1 0 304.434 2.467 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848576256 651473510 /nfs/dbraw/zinc/47/35/10/651473510.db2.gz LFQLUIVTWHGVMA-CWIOURORSA-N 1 0 315.417 2.339 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1O ZINC000848891646 651547586 /nfs/dbraw/zinc/54/75/86/651547586.db2.gz WNZQUYPZZHVFRT-QGZVFWFLSA-N 1 0 306.450 2.401 20 10 DECDRO CCc1cccc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)c1O ZINC000848903387 651552531 /nfs/dbraw/zinc/55/25/31/651552531.db2.gz REHJNMLPNHSRHB-QGZVFWFLSA-N 1 0 307.390 2.157 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1O ZINC000848913657 651558793 /nfs/dbraw/zinc/55/87/93/651558793.db2.gz ASQZJCNVBDZGOH-HNNXBMFYSA-N 1 0 311.447 2.354 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000848914708 651559699 /nfs/dbraw/zinc/55/96/99/651559699.db2.gz RJYJESQBAKJNRS-ZWKOTPCHSA-N 1 0 305.418 2.364 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000848914705 651560171 /nfs/dbraw/zinc/56/01/71/651560171.db2.gz RJYJESQBAKJNRS-ROUUACIJSA-N 1 0 305.418 2.364 20 10 DECDRO CCc1cccc(C[N@H+](CCOC)C[C@@H](O)C(F)(F)F)c1O ZINC000848922246 651562138 /nfs/dbraw/zinc/56/21/38/651562138.db2.gz OILMFDHMPTUMSL-CYBMUJFWSA-N 1 0 321.339 2.326 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848926758 651564873 /nfs/dbraw/zinc/56/48/73/651564873.db2.gz YGBIHMAABRMYPT-GFCCVEGCSA-N 1 0 306.797 2.130 20 10 DECDRO C[C@H]1CN(C(=[NH2+])NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000849011087 651581596 /nfs/dbraw/zinc/58/15/96/651581596.db2.gz ORGSIBJMIPNHKT-LBPRGKRZSA-N 1 0 303.406 2.016 20 10 DECDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(O)c1O ZINC000855897516 651803037 /nfs/dbraw/zinc/80/30/37/651803037.db2.gz DNBHZECOWFHQFT-CYBMUJFWSA-N 1 0 306.406 2.256 20 10 DECDRO COc1cc(C[NH2+]CCC(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850101790 651828186 /nfs/dbraw/zinc/82/81/86/651828186.db2.gz CZYABIGGNGYFGQ-UHFFFAOYSA-N 1 0 308.422 2.266 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3nc(C)c[nH]3)CC2)cc1 ZINC000850115637 651833491 /nfs/dbraw/zinc/83/34/91/651833491.db2.gz JDHWTOKDELWERO-UHFFFAOYSA-N 1 0 300.406 2.485 20 10 DECDRO COc1cc(C[NH2+]C[C@](C)(CO)OC)c(O)c(C(C)(C)C)c1 ZINC000850338446 651902900 /nfs/dbraw/zinc/90/29/00/651902900.db2.gz HSNBCSYHYHUKRY-QGZVFWFLSA-N 1 0 311.422 2.185 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 ZINC000850346320 651904971 /nfs/dbraw/zinc/90/49/71/651904971.db2.gz FCVCCPVFGRGYEM-HRCADAONSA-N 1 0 315.461 2.489 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)cc1 ZINC000850347629 651905723 /nfs/dbraw/zinc/90/57/23/651905723.db2.gz VCHYGOLYMXDOJW-LBPRGKRZSA-N 1 0 320.824 2.451 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000850353961 651908950 /nfs/dbraw/zinc/90/89/50/651908950.db2.gz QYOZQTABVXTUHU-YSVLISHTSA-N 1 0 323.433 2.447 20 10 DECDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000850354080 651908987 /nfs/dbraw/zinc/90/89/87/651908987.db2.gz UYJUPZYXBXUAIP-NXHRZFHOSA-N 1 0 306.450 2.408 20 10 DECDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850385893 651916729 /nfs/dbraw/zinc/91/67/29/651916729.db2.gz CLWOXVMIKQDSRX-CYBMUJFWSA-N 1 0 306.406 2.331 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000850396644 651920363 /nfs/dbraw/zinc/92/03/63/651920363.db2.gz MLWCNGNPIPTNBV-MRXNPFEDSA-N 1 0 320.433 2.134 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000850406753 651922858 /nfs/dbraw/zinc/92/28/58/651922858.db2.gz SCKRUAQRPZMIAI-HNNXBMFYSA-N 1 0 306.475 2.490 20 10 DECDRO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000850485883 651937720 /nfs/dbraw/zinc/93/77/20/651937720.db2.gz OQFWPBDDQLYHCG-CYBMUJFWSA-N 1 0 309.431 2.184 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[C@H]3CCC[NH2+]C3)ccc21 ZINC000857003216 652025147 /nfs/dbraw/zinc/02/51/47/652025147.db2.gz STVRXUYPBHPWEY-OAHLLOKOSA-N 1 0 315.461 2.465 20 10 DECDRO CC(C)COC[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858106722 652256068 /nfs/dbraw/zinc/25/60/68/652256068.db2.gz PQZVSYPAXWOGQL-ZDUSSCGKSA-N 1 0 316.392 2.154 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCNc2cnccn2)cc1F ZINC000858149998 652267148 /nfs/dbraw/zinc/26/71/48/652267148.db2.gz CIUINHXRZTYWDY-UHFFFAOYSA-N 1 0 307.348 2.023 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000858209837 652279501 /nfs/dbraw/zinc/27/95/01/652279501.db2.gz WCPVLUIJQOGCFT-ZDUSSCGKSA-N 1 0 315.295 2.491 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1C ZINC000858327619 652307601 /nfs/dbraw/zinc/30/76/01/652307601.db2.gz VKUZGRLIMCJKPT-HIFRSBDPSA-N 1 0 303.362 2.315 20 10 DECDRO OCc1cc(NCc2ccc(N3CCOCC3)c(F)c2)cc[nH+]1 ZINC000858353947 652315613 /nfs/dbraw/zinc/31/56/13/652315613.db2.gz FHIUGFDXLHTJDI-UHFFFAOYSA-N 1 0 317.364 2.162 20 10 DECDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(O)c1 ZINC000852412938 652397938 /nfs/dbraw/zinc/39/79/38/652397938.db2.gz MAAFHVMXRBGSEQ-ZDUSSCGKSA-N 1 0 321.421 2.073 20 10 DECDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000853538636 652565296 /nfs/dbraw/zinc/56/52/96/652565296.db2.gz ICUCLJHXNYTKKB-MRXNPFEDSA-N 1 0 316.401 2.298 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1C ZINC000853582478 652573142 /nfs/dbraw/zinc/57/31/42/652573142.db2.gz IDKYCKMNJWQCEY-HNNXBMFYSA-N 1 0 305.422 2.197 20 10 DECDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305125465 685276530 /nfs/dbraw/zinc/27/65/30/685276530.db2.gz LADLHALRTFEQLO-ZDUSSCGKSA-N 1 0 308.397 2.228 20 10 DECDRO CCN1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000391576233 685446632 /nfs/dbraw/zinc/44/66/32/685446632.db2.gz YPCAOCJZABGSTM-INIZCTEOSA-N 1 0 301.434 2.387 20 10 DECDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000858580010 685560685 /nfs/dbraw/zinc/56/06/85/685560685.db2.gz JFKFBUAURTVNDU-ZJUUUORDSA-N 1 0 300.786 2.413 20 10 DECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000858591723 685564891 /nfs/dbraw/zinc/56/48/91/685564891.db2.gz IFIYDTMVFBVPIB-RGZBUGHASA-N 1 0 307.325 2.404 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000928457446 693785831 /nfs/dbraw/zinc/78/58/31/693785831.db2.gz XEXWXBXWFBACIS-ZBFHGGJFSA-N 1 0 312.417 2.312 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000074334855 683930206 /nfs/dbraw/zinc/93/02/06/683930206.db2.gz RYJZFSHXYBOIHF-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092938485 684047303 /nfs/dbraw/zinc/04/73/03/684047303.db2.gz DUKCPFLXENGUNC-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO Oc1ccc(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119521395 684082700 /nfs/dbraw/zinc/08/27/00/684082700.db2.gz MVTKHOSPQAYZPJ-UHFFFAOYSA-N 1 0 323.868 2.259 20 10 DECDRO CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1O ZINC000121095312 684105609 /nfs/dbraw/zinc/10/56/09/684105609.db2.gz JJMLQWNHWKYDRC-MRXNPFEDSA-N 1 0 314.385 2.497 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000129487456 684179983 /nfs/dbraw/zinc/17/99/83/684179983.db2.gz UZKIVOOFQKRCFD-KRWDZBQOSA-N 1 0 308.397 2.009 20 10 DECDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130598317 684190740 /nfs/dbraw/zinc/19/07/40/684190740.db2.gz MZFQXEUKSTZLJV-MFKMUULPSA-N 1 0 305.330 2.316 20 10 DECDRO CCOC(=O)/C=C/C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185651 693912994 /nfs/dbraw/zinc/91/29/94/693912994.db2.gz QNOKZCRLJPODAO-SNAWJCMRSA-N 1 0 318.417 2.074 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000246561538 685132031 /nfs/dbraw/zinc/13/20/31/685132031.db2.gz ULRZFRYYHMIMGH-HZPDHXFCSA-N 1 0 301.434 2.203 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861556706 686145047 /nfs/dbraw/zinc/14/50/47/686145047.db2.gz FRMRUYFPTLDECP-DLBZAZTESA-N 1 0 316.449 2.227 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000861621149 686160556 /nfs/dbraw/zinc/16/05/56/686160556.db2.gz YCDZQRBGTRFUHZ-XJKSGUPXSA-N 1 0 316.449 2.397 20 10 DECDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000861700604 686171861 /nfs/dbraw/zinc/17/18/61/686171861.db2.gz GZZJPHLLGKYWLB-SUMWQHHRSA-N 1 0 316.449 2.177 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC000862337954 686278769 /nfs/dbraw/zinc/27/87/69/686278769.db2.gz DQBHZXWLQCPPJF-CMPLNLGQSA-N 1 0 312.360 2.414 20 10 DECDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@H](O)C1CC1 ZINC000862367882 686284297 /nfs/dbraw/zinc/28/42/97/686284297.db2.gz YJMHVVNACJRIJZ-ZDUSSCGKSA-N 1 0 300.196 2.357 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428441 686301248 /nfs/dbraw/zinc/30/12/48/686301248.db2.gz QIFZNLHKTRUULL-OSJSJHBBSA-N 1 0 301.434 2.318 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862475815 686308292 /nfs/dbraw/zinc/30/82/92/686308292.db2.gz YCAZKSIKERRUFB-XFHJGTJQSA-N 1 0 318.417 2.030 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865693943 687303749 /nfs/dbraw/zinc/30/37/49/687303749.db2.gz OULPNDSSIGMLPT-BSWVEEBUSA-N 1 0 314.429 2.036 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000865780635 687332134 /nfs/dbraw/zinc/33/21/34/687332134.db2.gz ONDZFTZMFXOYIR-MRXNPFEDSA-N 1 0 321.417 2.466 20 10 DECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865873294 687363170 /nfs/dbraw/zinc/36/31/70/687363170.db2.gz VZRKOFXWQAVDRN-UKRRQHHQSA-N 1 0 310.413 2.301 20 10 DECDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866497329 687591440 /nfs/dbraw/zinc/59/14/40/687591440.db2.gz FJYXMHDNCBAVNZ-BMGDILEWSA-N 1 0 304.434 2.477 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)NC2CCCCC2)cc1 ZINC000866757560 687677621 /nfs/dbraw/zinc/67/76/21/687677621.db2.gz YQRSFCKTVGRGBZ-MRXNPFEDSA-N 1 0 304.438 2.384 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000868209977 687947663 /nfs/dbraw/zinc/94/76/63/687947663.db2.gz IUNVFMBDNIXPAU-SNPRPXQTSA-N 1 0 303.406 2.379 20 10 DECDRO C[NH+](C)C1(C)CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000871359896 688780003 /nfs/dbraw/zinc/78/00/03/688780003.db2.gz YXGVAPLIBJMRHX-FNORWQNLSA-N 1 0 318.417 2.490 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc1F ZINC000872200519 688949924 /nfs/dbraw/zinc/94/99/24/688949924.db2.gz JKIHFXZMFUZFAT-AWEZNQCLSA-N 1 0 312.429 2.283 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872201461 688950670 /nfs/dbraw/zinc/95/06/70/688950670.db2.gz BMBBUDCQXFRIFJ-QZTJIDSGSA-N 1 0 306.450 2.063 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1Cn1cccn1 ZINC000873020210 689142541 /nfs/dbraw/zinc/14/25/41/689142541.db2.gz JXYCXZOXPSRWER-QGZVFWFLSA-N 1 0 314.433 2.124 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)OC)cc1Cn1cccn1 ZINC000873034938 689145295 /nfs/dbraw/zinc/14/52/95/689145295.db2.gz CUHYLDUOANLNQN-CQSZACIVSA-N 1 0 303.406 2.455 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)OC)cc1Cn1cccn1 ZINC000873034937 689145460 /nfs/dbraw/zinc/14/54/60/689145460.db2.gz CUHYLDUOANLNQN-AWEZNQCLSA-N 1 0 303.406 2.455 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1C ZINC000873059928 689151246 /nfs/dbraw/zinc/15/12/46/689151246.db2.gz BHLFOVFDUKWBFZ-INIZCTEOSA-N 1 0 303.406 2.341 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCCO)cc1Cn1cccn1 ZINC000873075276 689154508 /nfs/dbraw/zinc/15/45/08/689154508.db2.gz WMDWPUQTZXXVLV-AWEZNQCLSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+]CC2=CCCOC2)cc1Cn1cccn1 ZINC000873127826 689165155 /nfs/dbraw/zinc/16/51/55/689165155.db2.gz XYGWSWVSBSYNIU-UHFFFAOYSA-N 1 0 313.401 2.376 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CC2)cc1Cn1cccn1 ZINC000873128629 689165326 /nfs/dbraw/zinc/16/53/26/689165326.db2.gz YBKQTUJTBXMBSW-GOSISDBHSA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1Cn1cccn1 ZINC000873129459 689165438 /nfs/dbraw/zinc/16/54/38/689165438.db2.gz MWVLZFDZRLDFCY-QGZVFWFLSA-N 1 0 315.417 2.191 20 10 DECDRO Oc1ccccc1CN(C[C@@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000873209791 689184568 /nfs/dbraw/zinc/18/45/68/689184568.db2.gz RPHGXTOZCQPINB-HQVVEAJESA-N 1 0 302.418 2.125 20 10 DECDRO O=C(C[NH+]1CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000874241113 689374261 /nfs/dbraw/zinc/37/42/61/689374261.db2.gz LESMJGADGINOJW-UHFFFAOYSA-N 1 0 301.434 2.389 20 10 DECDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825553 689500506 /nfs/dbraw/zinc/50/05/06/689500506.db2.gz PZVJXPLQDXNALI-UONOGXRCSA-N 1 0 315.377 2.158 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875142289 689578389 /nfs/dbraw/zinc/57/83/89/689578389.db2.gz ISHNPRWOIUCBQR-ZDUSSCGKSA-N 1 0 303.406 2.149 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875714423 689681421 /nfs/dbraw/zinc/68/14/21/689681421.db2.gz WOFANKOFFHKGPJ-CYBMUJFWSA-N 1 0 303.406 2.290 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)CO1 ZINC000876597737 689870542 /nfs/dbraw/zinc/87/05/42/689870542.db2.gz QWDXIVUFENSONJ-GJZGRUSLSA-N 1 0 304.434 2.257 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000876613645 689876805 /nfs/dbraw/zinc/87/68/05/689876805.db2.gz SADQBBLHRQZZNY-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(O)c1 ZINC000876935588 689976829 /nfs/dbraw/zinc/97/68/29/689976829.db2.gz CFCXPINNTTYCLW-UHFFFAOYSA-N 1 0 320.414 2.362 20 10 DECDRO CCN(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000876996682 689993282 /nfs/dbraw/zinc/99/32/82/689993282.db2.gz ZJDYGSRFWSLWCY-UHFFFAOYSA-N 1 0 319.493 2.468 20 10 DECDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877170244 690036217 /nfs/dbraw/zinc/03/62/17/690036217.db2.gz KTKBPHKUZQHKRC-RDJZCZTQSA-N 1 0 318.461 2.241 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCC34CCOCC4)cc2)CC1 ZINC000877478443 690125387 /nfs/dbraw/zinc/12/53/87/690125387.db2.gz GTRAONIDDXOOPG-UHFFFAOYSA-N 1 0 316.445 2.403 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCn1cc(Br)cn1 ZINC000877520136 690139009 /nfs/dbraw/zinc/13/90/09/690139009.db2.gz ZWTMULOXCMOGDC-UHFFFAOYSA-N 1 0 310.195 2.449 20 10 DECDRO Cc1nnsc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877545276 690147082 /nfs/dbraw/zinc/14/70/82/690147082.db2.gz DYUKHYZUQTYDRF-UHFFFAOYSA-N 1 0 318.446 2.097 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000877565095 690153829 /nfs/dbraw/zinc/15/38/29/690153829.db2.gz BSRVNIPOVOWMBJ-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)O1 ZINC000877578454 690157696 /nfs/dbraw/zinc/15/76/96/690157696.db2.gz FDAFJPPDBKTNOR-RDTXWAMCSA-N 1 0 304.434 2.305 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CC4(C3)CCOCC4)cc2)CC1 ZINC000877581157 690158303 /nfs/dbraw/zinc/15/83/03/690158303.db2.gz OKGYUEVYRZAABS-UHFFFAOYSA-N 1 0 316.445 2.260 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)n1C ZINC000877612596 690167712 /nfs/dbraw/zinc/16/77/12/690167712.db2.gz MAPDFSCOZZBZFN-UHFFFAOYSA-N 1 0 308.765 2.461 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(C)CO ZINC000877639747 690176214 /nfs/dbraw/zinc/17/62/14/690176214.db2.gz DVKKTDADMYWLRZ-BEFAXECRSA-N 1 0 318.461 2.098 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877652881 690180509 /nfs/dbraw/zinc/18/05/09/690180509.db2.gz OWURJBGXXPJPHL-UHFFFAOYSA-N 1 0 302.334 2.299 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(O)c1 ZINC000877656306 690181289 /nfs/dbraw/zinc/18/12/89/690181289.db2.gz DMVQNWIVPRFBOF-PBHICJAKSA-N 1 0 300.358 2.421 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC000877782079 690226156 /nfs/dbraw/zinc/22/61/56/690226156.db2.gz KALTWQQVGAMMOD-ONEGZZNKSA-N 1 0 313.445 2.368 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccn2)c1 ZINC000878360310 690388085 /nfs/dbraw/zinc/38/80/85/690388085.db2.gz KCEJYOXQFOYRAM-NSHDSACASA-N 1 0 301.346 2.085 20 10 DECDRO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879650730 690699452 /nfs/dbraw/zinc/69/94/52/690699452.db2.gz PQUCZLGDNXZEDL-SJCJKPOMSA-N 1 0 324.421 2.319 20 10 DECDRO CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059303 691006255 /nfs/dbraw/zinc/00/62/55/691006255.db2.gz FVAJFRJWOHPBJQ-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO CC[C@H](SC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852316 691173862 /nfs/dbraw/zinc/17/38/62/691173862.db2.gz LUPPJKWYQZMFKJ-INIZCTEOSA-N 1 0 321.490 2.196 20 10 DECDRO CC[C@@H](SC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852317 691174016 /nfs/dbraw/zinc/17/40/16/691174016.db2.gz LUPPJKWYQZMFKJ-MRXNPFEDSA-N 1 0 321.490 2.196 20 10 DECDRO CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853644 691174537 /nfs/dbraw/zinc/17/45/37/691174537.db2.gz DVFKYFNMUJXECJ-ZWKOTPCHSA-N 1 0 315.461 2.347 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2c3c(nn2C)CCSC3)c1 ZINC000883000295 691407049 /nfs/dbraw/zinc/40/70/49/691407049.db2.gz WBJWRIXJWRJZGD-UHFFFAOYSA-N 1 0 319.430 2.213 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCOC1 ZINC000883182046 691450941 /nfs/dbraw/zinc/45/09/41/691450941.db2.gz QMNWJMBOZGPVIF-GDBMZVCRSA-N 1 0 310.413 2.423 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883374145 691492522 /nfs/dbraw/zinc/49/25/22/691492522.db2.gz READEELJXMHLOA-NOLJZWGESA-N 1 0 310.463 2.369 20 10 DECDRO CC/C=C\CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883722653 691572726 /nfs/dbraw/zinc/57/27/26/691572726.db2.gz AUWVSNRYOCZWQY-PLNGDYQASA-N 1 0 316.449 2.204 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1F ZINC000886231398 692031152 /nfs/dbraw/zinc/03/11/52/692031152.db2.gz CXQLTQAIMZCXOJ-INIZCTEOSA-N 1 0 301.361 2.454 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@](C)(O)C(F)F)cc1 ZINC000886267009 692039960 /nfs/dbraw/zinc/03/99/60/692039960.db2.gz CZYZWNKMYGQDBT-OAHLLOKOSA-N 1 0 302.365 2.079 20 10 DECDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC000894764819 692987752 /nfs/dbraw/zinc/98/77/52/692987752.db2.gz VRFCZXWZDKGMKD-NSHDSACASA-N 1 0 305.378 2.477 20 10 DECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759586 693182168 /nfs/dbraw/zinc/18/21/68/693182168.db2.gz KJUAPUSWGCTHRG-WMLDXEAASA-N 1 0 322.424 2.301 20 10 DECDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924864323 693195075 /nfs/dbraw/zinc/19/50/75/693195075.db2.gz AAIBUPGMVZLOIR-BBRMVZONSA-N 1 0 301.434 2.216 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@H]3CCOC34CCOCC4)ccc21 ZINC000924873507 693195530 /nfs/dbraw/zinc/19/55/30/693195530.db2.gz XHYMFLJYBMICEY-SFHVURJKSA-N 1 0 316.445 2.497 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CNOC1)c1cc(Br)ccc1O ZINC000925868603 693357064 /nfs/dbraw/zinc/35/70/64/693357064.db2.gz DZHRCVZOHRYDOK-GXSJLCMTSA-N 1 0 301.184 2.099 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000927104239 693555724 /nfs/dbraw/zinc/55/57/24/693555724.db2.gz KMFFMPHBVVOHOT-DZGCQCFKSA-N 1 0 320.433 2.305 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)cc2)CC1 ZINC001332237248 1149838965 /nfs/dbraw/zinc/83/89/65/1149838965.db2.gz JIUPNBFGGFILKP-RYQLBKOJSA-N 1 0 313.445 2.147 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(CF)CCC3)cc2)CC1 ZINC001333132980 1150004840 /nfs/dbraw/zinc/00/48/40/1150004840.db2.gz CELVJXMLFCRFKB-UHFFFAOYSA-N 1 0 319.424 2.194 20 10 DECDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCCCC1 ZINC001335368659 1150400293 /nfs/dbraw/zinc/40/02/93/1150400293.db2.gz RIFVAAKAXCAFFQ-CQSZACIVSA-N 1 0 304.438 2.190 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@]23CC[NH2+]C3)c(C)n1-c1ccccn1 ZINC001343148405 1150696225 /nfs/dbraw/zinc/69/62/25/1150696225.db2.gz YFLQSFMZWRVZOA-LJQANCHMSA-N 1 0 324.428 2.457 20 10 DECDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446054 1150742686 /nfs/dbraw/zinc/74/26/86/1150742686.db2.gz ZEHAQHOBGICHIF-OCCSQVGLSA-N 1 0 305.422 2.242 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001346207591 1150951436 /nfs/dbraw/zinc/95/14/36/1150951436.db2.gz LCJVIMSEBKBZAB-QWHCGFSZSA-N 1 0 316.405 2.064 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1O ZINC001347233644 1151050043 /nfs/dbraw/zinc/05/00/43/1151050043.db2.gz OPGJECSRYNGTLL-PAPYEOQZSA-N 1 0 303.406 2.093 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC001350319369 1151344036 /nfs/dbraw/zinc/34/40/36/1151344036.db2.gz GTIODKHXOHDYCQ-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO CC1(C)CN(C(=O)NCCCSc2nccs2)C[C@H]1[NH3+] ZINC001353378030 1151827321 /nfs/dbraw/zinc/82/73/21/1151827321.db2.gz NOGSJGZUUVLGBJ-SNVBAGLBSA-N 1 0 314.480 2.004 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncc(CF)cn3)cc2)CC1 ZINC001167431074 777025753 /nfs/dbraw/zinc/02/57/53/777025753.db2.gz FSNPOBLMAJHMSI-UHFFFAOYSA-N 1 0 315.396 2.310 20 10 DECDRO CN(C)c1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(Cl)c1 ZINC001140924419 778021336 /nfs/dbraw/zinc/02/13/36/778021336.db2.gz JOOAAEARCZYBAM-HNNXBMFYSA-N 1 0 311.857 2.168 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)c1 ZINC001144508907 790940472 /nfs/dbraw/zinc/94/04/72/790940472.db2.gz CRINFQAWAXPBBF-UHFFFAOYSA-N 1 0 316.357 2.242 20 10 DECDRO CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994340 784294448 /nfs/dbraw/zinc/29/44/48/784294448.db2.gz JFIDLQMQJUJLOK-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ocnc2C)cc1C ZINC001156234630 784979419 /nfs/dbraw/zinc/97/94/19/784979419.db2.gz VUHQVMUYSBKMGB-UHFFFAOYSA-N 1 0 317.389 2.210 20 10 DECDRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001169485852 785199803 /nfs/dbraw/zinc/19/98/03/785199803.db2.gz CIYCYTAUJHZMTG-CYBMUJFWSA-N 1 0 320.433 2.493 20 10 DECDRO C[C@H](CC[NH2+]Cc1ccc(Br)cc1O)[S@@](C)=O ZINC000691440283 785539981 /nfs/dbraw/zinc/53/99/81/785539981.db2.gz POEPBEQDZULWSS-VVVCHXIZSA-N 1 0 320.252 2.401 20 10 DECDRO COCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133492965 788451655 /nfs/dbraw/zinc/45/16/55/788451655.db2.gz YVOITSIQRSOKGT-LSDHHAIUSA-N 1 0 322.449 2.413 20 10 DECDRO CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001171676955 793167740 /nfs/dbraw/zinc/16/77/40/793167740.db2.gz REUXJNHVLQMDLZ-ZDUSSCGKSA-N 1 0 323.437 2.387 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@H]2Cc3cccc(F)c3C2)cc1O ZINC001171769997 793200558 /nfs/dbraw/zinc/20/05/58/793200558.db2.gz XHSJONVYDHWMOE-YVEFUNNKSA-N 1 0 303.333 2.027 20 10 DECDRO Oc1cc(O)c(CC[NH2+][C@H]2Cc3cccc(F)c3C2)cc1O ZINC001171775118 793202766 /nfs/dbraw/zinc/20/27/66/793202766.db2.gz HNHWPTIMDORATC-LBPRGKRZSA-N 1 0 303.333 2.242 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216102 793367661 /nfs/dbraw/zinc/36/76/61/793367661.db2.gz CJGHQEWVVGVFBS-ZNXRZULTSA-N 1 0 302.418 2.323 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1OC ZINC001333896491 1150119429 /nfs/dbraw/zinc/11/94/29/1150119429.db2.gz WIZCGFQFMLGZLZ-SUMWQHHRSA-N 1 0 319.401 2.458 20 10 DECDRO CC[N@@H+]1CC[C@@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001173375062 793709485 /nfs/dbraw/zinc/70/94/85/793709485.db2.gz QIEDYWVVNDEGET-MRXNPFEDSA-N 1 0 303.450 2.220 20 10 DECDRO COCC[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176461728 794432586 /nfs/dbraw/zinc/43/25/86/794432586.db2.gz KRZNQKRMMWXUGW-AWEZNQCLSA-N 1 0 322.449 2.272 20 10 DECDRO CCc1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC001177913020 794774213 /nfs/dbraw/zinc/77/42/13/794774213.db2.gz UBJNCIZBYNZBGF-UHFFFAOYSA-N 1 0 314.433 2.279 20 10 DECDRO COCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178015232 794795675 /nfs/dbraw/zinc/79/56/75/794795675.db2.gz NYIBARNOEPDRDX-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001177976445 794797149 /nfs/dbraw/zinc/79/71/49/794797149.db2.gz DUQLXTLDXUWPSC-MRXNPFEDSA-N 1 0 316.449 2.180 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2CCCC[C@H]2N(C)C)cc1OC ZINC001116487686 794959223 /nfs/dbraw/zinc/95/92/23/794959223.db2.gz IUANCVAKFPOBBD-UONOGXRCSA-N 1 0 308.422 2.372 20 10 DECDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689629 795153722 /nfs/dbraw/zinc/15/37/22/795153722.db2.gz UYEUMLICXFJWNI-KGXGESDWSA-N 1 0 318.417 2.492 20 10 DECDRO CCOCCOCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001119689094 795339719 /nfs/dbraw/zinc/33/97/19/795339719.db2.gz BFYVVZGOTAYTLX-UHFFFAOYSA-N 1 0 322.449 2.260 20 10 DECDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(N)cc1 ZINC001120263292 795431929 /nfs/dbraw/zinc/43/19/29/795431929.db2.gz MSIJNJNDVYSUQG-LBPRGKRZSA-N 1 0 319.430 2.109 20 10 DECDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2cccc(OC)c2O)o1 ZINC001181485869 795485016 /nfs/dbraw/zinc/48/50/16/795485016.db2.gz KUMAUBVZRZMMKY-CMDGGOBGSA-N 1 0 317.341 2.470 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc(O)c(O)c1 ZINC001182155652 795615946 /nfs/dbraw/zinc/61/59/46/795615946.db2.gz LHCYSZXIHBIILY-KBPBESRZSA-N 1 0 306.406 2.019 20 10 DECDRO C[C@H](CC(F)(F)F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001121809490 795689971 /nfs/dbraw/zinc/68/99/71/795689971.db2.gz FFNQKBJTPARHGI-ZWNOBZJWSA-N 1 0 317.355 2.457 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C23CC(C2)C[NH2+]3)cc1F ZINC001121919110 795704042 /nfs/dbraw/zinc/70/40/42/795704042.db2.gz ABHNEJBGMUMPAL-UHFFFAOYSA-N 1 0 305.397 2.040 20 10 DECDRO COCCCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124578029 796076299 /nfs/dbraw/zinc/07/62/99/796076299.db2.gz RHFMDCHRETWPKJ-UHFFFAOYSA-N 1 0 308.422 2.026 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127108 796168203 /nfs/dbraw/zinc/16/82/03/796168203.db2.gz PDMKSPKKHNNTIQ-GFCCVEGCSA-N 1 0 305.353 2.006 20 10 DECDRO Cc1c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c2ccccc2n1C ZINC001138253032 796187842 /nfs/dbraw/zinc/18/78/42/796187842.db2.gz ZLQVGUXDLYEDMX-GOSISDBHSA-N 1 0 300.402 2.478 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1O ZINC001138338709 796199922 /nfs/dbraw/zinc/19/99/22/796199922.db2.gz UIXMYGTZSPJYMU-DYVFJYSZSA-N 1 0 316.445 2.294 20 10 DECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138357726 796204218 /nfs/dbraw/zinc/20/42/18/796204218.db2.gz WKYNUJXUXSIGFY-IEBWSBKVSA-N 1 0 316.445 2.164 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H](F)C[C@H]2CO)c(OC)c1 ZINC001138386576 796209138 /nfs/dbraw/zinc/20/91/38/796209138.db2.gz RXLLSOLCSULMIW-HOCLYGCPSA-N 1 0 310.413 2.446 20 10 DECDRO CCN(CC)c1ccc(CN2CCC3(C2)OCCO3)c(OC)c1 ZINC001138389904 796211109 /nfs/dbraw/zinc/21/11/09/796211109.db2.gz UBPGEGRBSJQACX-UHFFFAOYSA-N 1 0 320.433 2.490 20 10 DECDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499162 796227488 /nfs/dbraw/zinc/22/74/88/796227488.db2.gz APKYBHVBNWMHNT-LJQANCHMSA-N 1 0 315.461 2.192 20 10 DECDRO COc1cc(CN(C)Cc2ccccn2)cc(C[NH+](C)C)c1O ZINC001139253053 796348697 /nfs/dbraw/zinc/34/86/97/796348697.db2.gz KAGQJDSFLLZCOZ-UHFFFAOYSA-N 1 0 315.417 2.489 20 10 DECDRO COc1cc(CN2CCOC(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139253324 796348917 /nfs/dbraw/zinc/34/89/17/796348917.db2.gz QVMFOPMSMGGYMJ-UHFFFAOYSA-N 1 0 308.422 2.073 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139258813 796349780 /nfs/dbraw/zinc/34/97/80/796349780.db2.gz XCPCVGYKDFGLQO-SFHVURJKSA-N 1 0 320.433 2.217 20 10 DECDRO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)ccc1N(C)C ZINC001139672363 796407684 /nfs/dbraw/zinc/40/76/84/796407684.db2.gz VWKBLJFGXANWQQ-VQFNDLOPSA-N 1 0 315.461 2.263 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCC[NH+](C)C)c1 ZINC001186827291 796449146 /nfs/dbraw/zinc/44/91/46/796449146.db2.gz UUZSEGCXVFTLCG-UHFFFAOYSA-N 1 0 301.390 2.091 20 10 DECDRO Oc1cc(Cl)ccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140464375 796526195 /nfs/dbraw/zinc/52/61/95/796526195.db2.gz NAPAWZNACIDXLR-HNNXBMFYSA-N 1 0 310.825 2.342 20 10 DECDRO Cc1ccc(O)c(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001140622052 796546389 /nfs/dbraw/zinc/54/63/89/796546389.db2.gz WDNXKDXOCBJJLE-OAHLLOKOSA-N 1 0 314.433 2.091 20 10 DECDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662464 796553399 /nfs/dbraw/zinc/55/33/99/796553399.db2.gz VOIPENFLRSMUIA-INIZCTEOSA-N 1 0 308.397 2.009 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1C ZINC001140667583 796554333 /nfs/dbraw/zinc/55/43/33/796554333.db2.gz YQXFIBRCURTPNL-OAHLLOKOSA-N 1 0 321.440 2.188 20 10 DECDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749975 796567329 /nfs/dbraw/zinc/56/73/29/796567329.db2.gz QTNZGSWRRPZRQN-AWEZNQCLSA-N 1 0 315.373 2.158 20 10 DECDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC001140750264 796567455 /nfs/dbraw/zinc/56/74/55/796567455.db2.gz ZOIBHPIOYFIMRP-CQSZACIVSA-N 1 0 306.406 2.143 20 10 DECDRO CCC(=O)N1CC[NH+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140851881 796584495 /nfs/dbraw/zinc/58/44/95/796584495.db2.gz SKLJOOMQWNUUFJ-UHFFFAOYSA-N 1 0 319.449 2.293 20 10 DECDRO Cc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001140949459 796605158 /nfs/dbraw/zinc/60/51/58/796605158.db2.gz CIMIDAZCLHJMIL-HZPDHXFCSA-N 1 0 310.401 2.059 20 10 DECDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c(O)c1 ZINC001140949919 796606188 /nfs/dbraw/zinc/60/61/88/796606188.db2.gz KMFFZLBGNKZAJW-HNNXBMFYSA-N 1 0 302.418 2.391 20 10 DECDRO CCOCc1nnn2c1C[N@H+](Cc1ccc(C)cc1O)CCC2 ZINC001140950498 796606753 /nfs/dbraw/zinc/60/67/53/796606753.db2.gz VVZHNIQPRUTRTE-UHFFFAOYSA-N 1 0 316.405 2.235 20 10 DECDRO COC[C@H]1COCCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141158779 796642061 /nfs/dbraw/zinc/64/20/61/796642061.db2.gz NCRNXADQRNFIIP-HNNXBMFYSA-N 1 0 321.417 2.363 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143117237 796803704 /nfs/dbraw/zinc/80/37/04/796803704.db2.gz ZAYLWYBYROOVAH-OAHLLOKOSA-N 1 0 321.417 2.454 20 10 DECDRO CCCCNC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001190641156 797047370 /nfs/dbraw/zinc/04/73/70/797047370.db2.gz WBMOAFOHRDDOLS-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO CC(C)CC[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037765 797273891 /nfs/dbraw/zinc/27/38/91/797273891.db2.gz TZLGXQFMZCJBCS-UHFFFAOYSA-N 1 0 305.382 2.215 20 10 DECDRO CC[C@@H](C)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037305 797274043 /nfs/dbraw/zinc/27/40/43/797274043.db2.gz LFSBDKKXHZAWLR-LLVKDONJSA-N 1 0 305.382 2.215 20 10 DECDRO CCO[C@H]1C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155081165 797676885 /nfs/dbraw/zinc/67/68/85/797676885.db2.gz DILKIJVOESHHPB-RDJZCZTQSA-N 1 0 320.433 2.025 20 10 DECDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCCC[C@@H]1O ZINC001195359256 797886598 /nfs/dbraw/zinc/88/65/98/797886598.db2.gz UJVRFRYCUKANQB-WBVHZDCISA-N 1 0 321.417 2.308 20 10 DECDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1F ZINC001156655803 798054481 /nfs/dbraw/zinc/05/44/81/798054481.db2.gz LCEOISLQDKKNLN-UHFFFAOYSA-N 1 0 315.396 2.288 20 10 DECDRO COCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199065346 798434672 /nfs/dbraw/zinc/43/46/72/798434672.db2.gz NUHOVDULOSQWOM-UHFFFAOYSA-N 1 0 320.433 2.121 20 10 DECDRO Oc1cccc2c1CN(C(=S)NCC[NH+]1CCCCC1)CC2 ZINC001200430961 798636640 /nfs/dbraw/zinc/63/66/40/798636640.db2.gz RKFUCNQBXGQFSU-UHFFFAOYSA-N 1 0 319.474 2.111 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](O)C(C)C)cc1Cn1cccn1 ZINC001200581464 798652886 /nfs/dbraw/zinc/65/28/86/798652886.db2.gz SDPSBTGYJAZSIP-KRWDZBQOSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H](C)CO2)cc1C ZINC001162851270 799189303 /nfs/dbraw/zinc/18/93/03/799189303.db2.gz NHMVMHCBROCAGP-GUYCJALGSA-N 1 0 320.433 2.025 20 10 DECDRO CCC[C@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001163846523 799444787 /nfs/dbraw/zinc/44/47/87/799444787.db2.gz UVLAUHOAJYCXBI-KRWDZBQOSA-N 1 0 322.449 2.415 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CN(c2ccncn2)C1 ZINC001203434261 800047508 /nfs/dbraw/zinc/04/75/08/800047508.db2.gz PSFZZNNSJMYYAM-UHFFFAOYSA-N 1 0 307.401 2.255 20 10 DECDRO O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552056 800078892 /nfs/dbraw/zinc/07/88/92/800078892.db2.gz YPYMIGVHZDOTHM-LJQANCHMSA-N 1 0 323.396 2.416 20 10 DECDRO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552919 800079287 /nfs/dbraw/zinc/07/92/87/800079287.db2.gz VKMWMRSSICYDHF-GASCZTMLSA-N 1 0 312.369 2.189 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c1O ZINC001203601861 800087784 /nfs/dbraw/zinc/08/77/84/800087784.db2.gz OOMFSBUIOLRZHZ-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO CCC(=O)N(C)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203601902 800088346 /nfs/dbraw/zinc/08/83/46/800088346.db2.gz QEAKVWDDBNFACB-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO COC(C[N@H+](C)Cc1cc(Br)ccc1O)OC ZINC001203645346 800099749 /nfs/dbraw/zinc/09/97/49/800099749.db2.gz BZDXWPYFIZAJHA-UHFFFAOYSA-N 1 0 304.184 2.205 20 10 DECDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879798 800139620 /nfs/dbraw/zinc/13/96/20/800139620.db2.gz FFJSUHROLFRICN-UHFFFAOYSA-N 1 0 306.406 2.321 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c2ccccc21 ZINC001204232339 800191931 /nfs/dbraw/zinc/19/19/31/800191931.db2.gz ARSDPOJOFOINTA-BEFAXECRSA-N 1 0 314.429 2.081 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c2ccccc21 ZINC001204232446 800192129 /nfs/dbraw/zinc/19/21/29/800192129.db2.gz DHGFSAPWDFVISB-HNAYVOBHSA-N 1 0 314.429 2.081 20 10 DECDRO CC[C@H]1[N@H+](Cc2ccc(O)cc2O)CCC[C@]12CCC(=O)N2 ZINC001204273751 800197958 /nfs/dbraw/zinc/19/79/58/800197958.db2.gz GZBVGCRARJEYEH-WBVHZDCISA-N 1 0 304.390 2.121 20 10 DECDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204277289 800199553 /nfs/dbraw/zinc/19/95/53/800199553.db2.gz XXWRUVLZHUMZHK-VXGBXAGGSA-N 1 0 305.296 2.233 20 10 DECDRO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204323846 800204739 /nfs/dbraw/zinc/20/47/39/800204739.db2.gz JHRBBNBPWHLNFB-UHOSZYNNSA-N 1 0 316.445 2.259 20 10 DECDRO CSCC(C)(C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934672230 800420341 /nfs/dbraw/zinc/42/03/41/800420341.db2.gz HJZCRYPWIJBIIT-UHFFFAOYSA-N 1 0 309.479 2.100 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c(O)cccc1OC(F)(F)F ZINC001209885854 801302076 /nfs/dbraw/zinc/30/20/76/801302076.db2.gz JEBFKZOQKIFTFK-AOOOYVTPSA-N 1 0 304.312 2.473 20 10 DECDRO CN(C1C[NH+](Cc2c(O)ccc3ccccc32)C1)[C@@H]1CCOC1 ZINC001231590330 801690595 /nfs/dbraw/zinc/69/05/95/801690595.db2.gz UKQRTKQVSLLWIJ-OAHLLOKOSA-N 1 0 312.413 2.450 20 10 DECDRO Cc1cccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1O ZINC001231591825 801691274 /nfs/dbraw/zinc/69/12/74/801691274.db2.gz LLJNAXWIRQBPBQ-HOTGVXAUSA-N 1 0 300.402 2.001 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1c(O)ccc2ccccc21 ZINC001231590444 801691334 /nfs/dbraw/zinc/69/13/34/801691334.db2.gz AYCOVQPOMAMKTD-HNNXBMFYSA-N 1 0 300.402 2.308 20 10 DECDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)cc1O ZINC001231637220 801700425 /nfs/dbraw/zinc/70/04/25/801700425.db2.gz AUCLFDVYQMPUNJ-KBPBESRZSA-N 1 0 324.396 2.115 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001231852505 801737238 /nfs/dbraw/zinc/73/72/38/801737238.db2.gz WVKNRUSGSKHASJ-HIFRSBDPSA-N 1 0 312.360 2.227 20 10 DECDRO CC[N@H+]1C[C@H]2CN(Cc3ccc(N(C)C)cc3OC)C[C@H]2C1 ZINC001231854499 801738365 /nfs/dbraw/zinc/73/83/65/801738365.db2.gz BENFDHBTZBOASK-IYBDPMFKSA-N 1 0 303.450 2.145 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001231854161 801738690 /nfs/dbraw/zinc/73/86/90/801738690.db2.gz AIZHOGOUGUSWDY-UHFFFAOYSA-N 1 0 315.421 2.190 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001231855591 801739235 /nfs/dbraw/zinc/73/92/35/801739235.db2.gz WPFJGIVHTCSBSB-UHFFFAOYSA-N 1 0 319.449 2.204 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001231854268 801739324 /nfs/dbraw/zinc/73/93/24/801739324.db2.gz DOVFOUAJROPFAA-AWEZNQCLSA-N 1 0 316.405 2.442 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1Cl ZINC001232271249 801835256 /nfs/dbraw/zinc/83/52/56/801835256.db2.gz SUIPYIFQGKVMHO-LBPRGKRZSA-N 1 0 322.796 2.483 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(c3cccnc3)CC2)c(O)c1 ZINC001232835390 801967319 /nfs/dbraw/zinc/96/73/19/801967319.db2.gz BOFGNMWCDOZVPO-UHFFFAOYSA-N 1 0 312.417 2.175 20 10 DECDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233011003 802002335 /nfs/dbraw/zinc/00/23/35/802002335.db2.gz XMTFFQVHYFOSMO-UHFFFAOYSA-N 1 0 316.401 2.367 20 10 DECDRO COc1cc(O)c(CN(C)C2(C)COC2)cc1Br ZINC001233140227 802034536 /nfs/dbraw/zinc/03/45/36/802034536.db2.gz ACVOWAPOFQWGRT-UHFFFAOYSA-N 1 0 316.195 2.384 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001233286180 802063816 /nfs/dbraw/zinc/06/38/16/802063816.db2.gz IWEUNAIUCZTCEG-CQSZACIVSA-N 1 0 304.390 2.326 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cccnc3)CC2)cc1O ZINC001233484907 802127045 /nfs/dbraw/zinc/12/70/45/802127045.db2.gz BVXBYMNOFOTSTL-UHFFFAOYSA-N 1 0 316.357 2.242 20 10 DECDRO c1ccc(CN2CC(Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001218043055 802136332 /nfs/dbraw/zinc/13/63/32/802136332.db2.gz VVLPTDKTSWDSBU-UHFFFAOYSA-N 1 0 323.440 2.359 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC001220894824 802510136 /nfs/dbraw/zinc/51/01/36/802510136.db2.gz LPDBHGMPPJZUGM-AWEZNQCLSA-N 1 0 313.401 2.282 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@H](O)C(C)C)c2cc(F)ccc2n1C ZINC001331531845 1149512582 /nfs/dbraw/zinc/51/25/82/1149512582.db2.gz DTZAZJBIIDBONH-HNNXBMFYSA-N 1 0 322.380 2.211 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c(O)c1 ZINC001331549151 1149527510 /nfs/dbraw/zinc/52/75/10/1149527510.db2.gz QENIIBNJNKVDRU-IBGZPJMESA-N 1 0 310.397 2.330 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001331550046 1149527620 /nfs/dbraw/zinc/52/76/20/1149527620.db2.gz SQKOMEOZYHHMGD-OAHLLOKOSA-N 1 0 323.433 2.224 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCCO[C@@H]2CCOC2)cc1F ZINC001331693075 1149609278 /nfs/dbraw/zinc/60/92/78/1149609278.db2.gz GVFACAKRCCLGIM-CYBMUJFWSA-N 1 0 314.376 2.316 20 10 DECDRO C/C(=C/C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)c1cnccn1 ZINC001574971466 1069314237 /nfs/dbraw/zinc/31/42/37/1069314237.db2.gz DIUCIRMTUIRLOF-MQJVFOOVSA-N 1 0 308.385 2.044 20 10 DECDRO Nc1ccc(CC(=O)N2CCCc3cc(CC[NH3+])ccc32)cc1 ZINC001523571844 1069681369 /nfs/dbraw/zinc/68/13/69/1069681369.db2.gz KWZGIAYKQYBVDR-UHFFFAOYSA-N 1 0 309.413 2.292 20 10 DECDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461234241 1058617137 /nfs/dbraw/zinc/61/71/37/1058617137.db2.gz VIASUGQJLWZYBL-INIZCTEOSA-N 1 0 323.456 2.074 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001462260633 1058791206 /nfs/dbraw/zinc/79/12/06/1058791206.db2.gz CJLFXBRXZZCIHO-GFCCVEGCSA-N 1 0 308.422 2.351 20 10 DECDRO Cn1c(=O)oc2ccc(C[NH2+]Cc3cc(F)ccc3O)cc21 ZINC001462491444 1058839709 /nfs/dbraw/zinc/83/97/09/1058839709.db2.gz OAGQFDIORCKGOL-UHFFFAOYSA-N 1 0 302.305 2.266 20 10 DECDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001474297048 1060846152 /nfs/dbraw/zinc/84/61/52/1060846152.db2.gz MHYBWCWHEZJRSC-INIZCTEOSA-N 1 0 320.412 2.065 20 10 DECDRO CNc1cc(CNC(=O)NCc2cccc(Cl)c2O)ccn1 ZINC001479595325 1061514450 /nfs/dbraw/zinc/51/44/50/1061514450.db2.gz BZPNJMRXHAJJAI-UHFFFAOYSA-N 1 0 320.780 2.482 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC001611939622 1078106566 /nfs/dbraw/zinc/10/65/66/1078106566.db2.gz HXGYVEIQPRPNIB-NSHDSACASA-N 1 0 309.366 2.142 20 10 DECDRO CCC[NH2+][C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001495119943 1064708674 /nfs/dbraw/zinc/70/86/74/1064708674.db2.gz ZTTIPBXGTJLLNF-LBPRGKRZSA-N 1 0 305.382 2.357 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCO2)cc1C ZINC001495613197 1065006487 /nfs/dbraw/zinc/00/64/87/1065006487.db2.gz RJSXPVHKINEMES-SUMWQHHRSA-N 1 0 320.433 2.025 20 10 DECDRO CCN(C)c1ccc(CN2C[C@@H](C)O[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001577657511 1066898617 /nfs/dbraw/zinc/89/86/17/1066898617.db2.gz MFZWWTQAFUCWAP-CRAIPNDOSA-N 1 0 303.450 2.096 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001577883716 1066940556 /nfs/dbraw/zinc/94/05/56/1066940556.db2.gz GRCUPKONULZXOP-LSDHHAIUSA-N 1 0 320.481 2.289 20 10 DECDRO CC[C@H](F)C[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996391 1078487780 /nfs/dbraw/zinc/48/77/80/1078487780.db2.gz OXYBUNKWYZISMJ-PWSUYJOCSA-N 1 0 323.372 2.305 20 10 DECDRO Cc1cc(CC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001579589169 1067376780 /nfs/dbraw/zinc/37/67/80/1067376780.db2.gz CKIMDHGHUBVHNX-FZKQIMNGSA-N 1 0 311.429 2.442 20 10 DECDRO CCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001571419027 1068285535 /nfs/dbraw/zinc/28/55/35/1068285535.db2.gz JICIXUOLNDHQKV-LLVKDONJSA-N 1 0 305.382 2.309 20 10 DECDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272385799 1078844906 /nfs/dbraw/zinc/84/49/06/1078844906.db2.gz FMBMMALOHMLFLY-SCLBCKFNSA-N 1 0 318.417 2.321 20 10 DECDRO CN(CC[NH2+]CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267476744 1078898199 /nfs/dbraw/zinc/89/81/99/1078898199.db2.gz NCZSDXAPXISNIH-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001544952523 1072555096 /nfs/dbraw/zinc/55/50/96/1072555096.db2.gz BZPZMVLDMSXMOK-LLVKDONJSA-N 1 0 315.377 2.063 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001649897361 1079292916 /nfs/dbraw/zinc/29/29/16/1079292916.db2.gz MWIMOADJTPBCJZ-CVEARBPZSA-N 1 0 302.418 2.358 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001580885492 1076013579 /nfs/dbraw/zinc/01/35/79/1076013579.db2.gz AHUZJVODNVPHDB-ZDUSSCGKSA-N 1 0 310.825 2.436 20 10 DECDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001585125639 1076339821 /nfs/dbraw/zinc/33/98/21/1076339821.db2.gz OYPBAJKMHOKKFH-DZGCQCFKSA-N 1 0 320.433 2.362 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001587223278 1076414498 /nfs/dbraw/zinc/41/44/98/1076414498.db2.gz JGVVTRIOOKAMIO-ZWNOBZJWSA-N 1 0 303.366 2.062 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2csc(-c3nn[nH]n3)c2)cc1 ZINC001591031857 1076703879 /nfs/dbraw/zinc/70/38/79/1076703879.db2.gz YCPATPNKMQURBP-UHFFFAOYSA-N 1 0 314.418 2.284 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000067252508 1079883010 /nfs/dbraw/zinc/88/30/10/1079883010.db2.gz UTJWSWWWLZWQIE-QGZVFWFLSA-N 1 0 318.392 2.421 20 10 DECDRO CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001652551536 1079883521 /nfs/dbraw/zinc/88/35/21/1079883521.db2.gz GBHQWABTXQGEQG-LLVKDONJSA-N 1 0 317.838 2.302 20 10 DECDRO CCOCc1cc(C[NH2+]CC(=O)NC2CCCC2)ccc1OC ZINC001657123344 1080157754 /nfs/dbraw/zinc/15/77/54/1080157754.db2.gz AGDRQRKEBSPTRJ-UHFFFAOYSA-N 1 0 320.433 2.380 20 10 DECDRO O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CN1c1ccccc1 ZINC001659447281 1080240771 /nfs/dbraw/zinc/24/07/71/1080240771.db2.gz UJOIGXFGMSYDTJ-CQSZACIVSA-N 1 0 300.333 2.426 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C)CCN2C)cc1Cl ZINC001660047244 1080259973 /nfs/dbraw/zinc/25/99/73/1080259973.db2.gz HMOWUXZTAPESSE-SWLSCSKDSA-N 1 0 311.857 2.078 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CSC)cc1C ZINC001124855901 1080505575 /nfs/dbraw/zinc/50/55/75/1080505575.db2.gz NSIIXHFQHGLHDD-ZDUSSCGKSA-N 1 0 310.463 2.209 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]CC(=O)N(C)OC)cc1 ZINC001663237637 1080721925 /nfs/dbraw/zinc/72/19/25/1080721925.db2.gz NWFPAMMNLZGVCE-UHFFFAOYSA-N 1 0 307.438 2.422 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](OC)C(C)C)cc1C ZINC001664165215 1080869025 /nfs/dbraw/zinc/86/90/25/1080869025.db2.gz NEMLKRJJQGMKEJ-KRWDZBQOSA-N 1 0 322.449 2.223 20 10 DECDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001664486873 1080916165 /nfs/dbraw/zinc/91/61/65/1080916165.db2.gz AUXGKJVWNCSBJW-VHSXEESVSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1cc(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)ccc1N(C)C ZINC001276929207 1083685842 /nfs/dbraw/zinc/68/58/42/1083685842.db2.gz OWBMHPZBVDXCIR-UHFFFAOYSA-N 1 0 301.434 2.162 20 10 DECDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O)C(C)C ZINC001277659720 1084081410 /nfs/dbraw/zinc/08/14/10/1084081410.db2.gz FBJSGXWNQNWQRT-KBXCAEBGSA-N 1 0 318.417 2.319 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)SC)cc1C ZINC001491397503 1084280343 /nfs/dbraw/zinc/28/03/43/1084280343.db2.gz BAYTXLPVPASCQC-OLZOCXBDSA-N 1 0 310.463 2.349 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235048873 1084286828 /nfs/dbraw/zinc/28/68/28/1084286828.db2.gz LCLKDRXDDADVOF-DLBZAZTESA-N 1 0 321.852 2.113 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054367 1084289772 /nfs/dbraw/zinc/28/97/72/1084289772.db2.gz WURRSKINRFSIJK-HXUWFJFHSA-N 1 0 324.472 2.231 20 10 DECDRO CCN(CC)c1ccc(CN2CCC[C@H]3[NH2+]C[C@@H]32)c(OC)c1 ZINC001235295259 1084376315 /nfs/dbraw/zinc/37/63/15/1084376315.db2.gz JEYSOGXUAIUVSK-SJORKVTESA-N 1 0 303.450 2.478 20 10 DECDRO COc1cc(O)c(CN2CC[NH2+][C@@H](CC(C)C)C2)c(OC)c1 ZINC001235881688 1084557543 /nfs/dbraw/zinc/55/75/43/1084557543.db2.gz PSIVLFPIYIYYJV-ZDUSSCGKSA-N 1 0 308.422 2.229 20 10 DECDRO COC(=O)c1c(CN(C)C[C@@H]2CCC[NH2+]2)c2ccccc2n1C ZINC001236122097 1084617470 /nfs/dbraw/zinc/61/74/70/1084617470.db2.gz LLVGZRGCBVIZLZ-ZDUSSCGKSA-N 1 0 315.417 2.149 20 10 DECDRO CCO[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CN(C)C ZINC001119614495 1090452869 /nfs/dbraw/zinc/45/28/69/1090452869.db2.gz BRIBZFAFMXMCPO-SFHVURJKSA-N 1 0 305.466 2.343 20 10 DECDRO COc1cc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c(O)cc1O ZINC001276092757 1091541580 /nfs/dbraw/zinc/54/15/80/1091541580.db2.gz OYICZMKWRZMQIJ-UHFFFAOYSA-N 1 0 318.417 2.167 20 10 DECDRO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1O)C2 ZINC001275267334 1091645182 /nfs/dbraw/zinc/64/51/82/1091645182.db2.gz LTXBPKJSKNAZOB-UHFFFAOYSA-N 1 0 317.433 2.408 20 10 DECDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Br)ccc1O)C2 ZINC001275276383 1091648223 /nfs/dbraw/zinc/64/82/23/1091648223.db2.gz WXZPTXLQAQTVBW-MFKMUULPSA-N 1 0 311.223 2.291 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001274214551 1093853653 /nfs/dbraw/zinc/85/36/53/1093853653.db2.gz YKINFUFQDQSADP-OAHLLOKOSA-N 1 0 302.418 2.357 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)CS(C)(=O)=O ZINC001352033683 1151662444 /nfs/dbraw/zinc/66/24/44/1151662444.db2.gz ILWUUGWUBRSBDR-UHFFFAOYSA-N 1 0 324.490 2.447 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1OC ZINC001236749549 1138407700 /nfs/dbraw/zinc/40/77/00/1138407700.db2.gz GTVXJOMCECCEBB-YVEFUNNKSA-N 1 0 309.406 2.392 20 10 DECDRO COc1cc(C[N@H+](C)[C@@H]2CCOC2)c(O)cc1Br ZINC001236753234 1138409327 /nfs/dbraw/zinc/40/93/27/1138409327.db2.gz KXMSGDOQRXXNCP-SNVBAGLBSA-N 1 0 316.195 2.384 20 10 DECDRO COc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc1OC ZINC001236755604 1138409900 /nfs/dbraw/zinc/40/99/00/1138409900.db2.gz FDKGRTFRZMRSMK-YPMHNXCESA-N 1 0 305.374 2.210 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(O)c1 ZINC001236812118 1138436925 /nfs/dbraw/zinc/43/69/25/1138436925.db2.gz WETZPRIRQSXFPV-UHFFFAOYSA-N 1 0 318.417 2.344 20 10 DECDRO CN(C)C(=O)N1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236841231 1138442610 /nfs/dbraw/zinc/44/26/10/1138442610.db2.gz WVPMEWABXKMQEM-UHFFFAOYSA-N 1 0 313.401 2.345 20 10 DECDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920986 1138457061 /nfs/dbraw/zinc/45/70/61/1138457061.db2.gz BNGVJVDUUCKAKR-HNNXBMFYSA-N 1 0 310.825 2.133 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC001237041135 1138486099 /nfs/dbraw/zinc/48/60/99/1138486099.db2.gz GIDCTXIHKVBLMQ-AWEZNQCLSA-N 1 0 306.406 2.091 20 10 DECDRO Cc1cccc(O)c1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001237486891 1138654185 /nfs/dbraw/zinc/65/41/85/1138654185.db2.gz VFKMUWGQQIGLOM-HUUCEWRRSA-N 1 0 310.401 2.059 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)cccc2O)CC1 ZINC001237490626 1138655498 /nfs/dbraw/zinc/65/54/98/1138655498.db2.gz YAAJJSYOTOFIQJ-CYBMUJFWSA-N 1 0 305.374 2.045 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1Br ZINC001237677475 1138753478 /nfs/dbraw/zinc/75/34/78/1138753478.db2.gz NMKWDCJTESTZTQ-YPMHNXCESA-N 1 0 318.186 2.368 20 10 DECDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)cc(OC)n1 ZINC001237568698 1138689201 /nfs/dbraw/zinc/68/92/01/1138689201.db2.gz NMKJLZPOVXQDOB-UHFFFAOYSA-N 1 0 300.358 2.363 20 10 DECDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237676446 1138750699 /nfs/dbraw/zinc/75/06/99/1138750699.db2.gz OICYPSXJBPNTQN-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Br ZINC001237678432 1138752982 /nfs/dbraw/zinc/75/29/82/1138752982.db2.gz YZWPYVRHTADOHG-CYBMUJFWSA-N 1 0 300.196 2.420 20 10 DECDRO COc1cc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237686181 1138758002 /nfs/dbraw/zinc/75/80/02/1138758002.db2.gz XYEUGVDZAAWYPD-ZDUSSCGKSA-N 1 0 308.422 2.324 20 10 DECDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC001237687264 1138758446 /nfs/dbraw/zinc/75/84/46/1138758446.db2.gz WHRDKNAAYRENMV-UHFFFAOYSA-N 1 0 310.781 2.428 20 10 DECDRO [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001237934715 1138811213 /nfs/dbraw/zinc/81/12/13/1138811213.db2.gz NISXIBHDZPYPLA-LLVKDONJSA-N 1 0 315.772 2.301 20 10 DECDRO Cc1cc(F)cc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1O ZINC001238067323 1138819784 /nfs/dbraw/zinc/81/97/84/1138819784.db2.gz 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ZINC001353073233 1151808036 /nfs/dbraw/zinc/80/80/36/1151808036.db2.gz QCYCPXCICCIPHU-QGZVFWFLSA-N 1 0 313.445 2.217 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]CCN3)n2)cc1 ZINC001247715978 1141460184 /nfs/dbraw/zinc/46/01/84/1141460184.db2.gz HRMYQFJOPQORCL-INIZCTEOSA-N 1 0 323.400 2.378 20 10 DECDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)cn1 ZINC001322962188 1141783789 /nfs/dbraw/zinc/78/37/89/1141783789.db2.gz RMYXXJXYBOYELP-LLVKDONJSA-N 1 0 306.797 2.148 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC001323207370 1141827191 /nfs/dbraw/zinc/82/71/91/1141827191.db2.gz SZGCAWHETHKTTH-UHFFFAOYSA-N 1 0 300.406 2.104 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)CC1 ZINC001323385295 1141848209 /nfs/dbraw/zinc/84/82/09/1141848209.db2.gz OYVUHHUVLBRAOR-UHFFFAOYSA-N 1 0 319.424 2.014 20 10 DECDRO COC(=O)Cc1ccc(CN2CC[NH+](C(C)(C)C)CC2)c(O)c1 ZINC001249201326 1141858980 /nfs/dbraw/zinc/85/89/80/1141858980.db2.gz ORTIHTLKRBQBGJ-UHFFFAOYSA-N 1 0 320.433 2.024 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001336819526 1142585260 /nfs/dbraw/zinc/58/52/60/1142585260.db2.gz NSHBPMOWZWWYNY-YJBOKZPZSA-N 1 0 316.449 2.002 20 10 DECDRO CC1([NH+]2CCC2)CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001338744626 1142875128 /nfs/dbraw/zinc/87/51/28/1142875128.db2.gz BWPZPTPXFKRDKI-UHFFFAOYSA-N 1 0 316.449 2.475 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CCSCCC[NH3+])c1 ZINC001340338391 1143326387 /nfs/dbraw/zinc/32/63/87/1143326387.db2.gz AVEVXPFDFRFUMX-NSHDSACASA-N 1 0 312.435 2.050 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]([NH3+])CCSC)c1 ZINC001341823024 1143719928 /nfs/dbraw/zinc/71/99/28/1143719928.db2.gz FQUNXDFZIZEDMO-MNOVXSKESA-N 1 0 312.435 2.049 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC001261676978 1144265863 /nfs/dbraw/zinc/26/58/63/1144265863.db2.gz AXGGLTFGCSBVAR-SFHVURJKSA-N 1 0 323.433 2.018 20 10 DECDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)CC1 ZINC001262603764 1144322644 /nfs/dbraw/zinc/32/26/44/1144322644.db2.gz UNOPDDKOSHMNJY-INIZCTEOSA-N 1 0 316.449 2.142 20 10 DECDRO CC1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC(C)(C)[NH2+]1 ZINC001263994134 1144438966 /nfs/dbraw/zinc/43/89/66/1144438966.db2.gz HCIRKVQFTCFLSN-VURMDHGXSA-N 1 0 318.417 2.490 20 10 DECDRO CC1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)[NH2+]1 ZINC001263994133 1144439029 /nfs/dbraw/zinc/43/90/29/1144439029.db2.gz HCIRKVQFTCFLSN-SOFGYWHQSA-N 1 0 318.417 2.490 20 10 DECDRO CC[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC001311745301 1147540953 /nfs/dbraw/zinc/54/09/53/1147540953.db2.gz VCXJMPMOCWWLCR-ZDUSSCGKSA-N 1 0 322.428 2.127 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000375690407 529780405 /nfs/dbraw/zinc/78/04/05/529780405.db2.gz HDJWQZLHWNHECB-KRWDZBQOSA-N 1 0 314.433 2.421 20 10 DECDRO C[NH2+]C[C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418096066 529996728 /nfs/dbraw/zinc/99/67/28/529996728.db2.gz HRZSSKBBNMSOHD-LBPRGKRZSA-N 1 0 302.422 2.141 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000053753539 354443384 /nfs/dbraw/zinc/44/33/84/354443384.db2.gz NIAWZWYDXDCVCC-INIZCTEOSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000076111471 355127264 /nfs/dbraw/zinc/12/72/64/355127264.db2.gz CZUANBKTYVDYEG-HUUCEWRRSA-N 1 0 303.450 2.299 20 10 DECDRO Cc1ccc2c(c1)N(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)CC2 ZINC000592516623 357891664 /nfs/dbraw/zinc/89/16/64/357891664.db2.gz RIJWHNJJCJFWDG-AWEZNQCLSA-N 1 0 310.401 2.231 20 10 DECDRO CCCOc1ccc(C[N@H+](C)CCNC(=O)C(C)C)c(O)c1 ZINC000092104263 193159516 /nfs/dbraw/zinc/15/95/16/193159516.db2.gz KTWKKARXWRYTCR-UHFFFAOYSA-N 1 0 308.422 2.385 20 10 DECDRO Cc1cccc(N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)c1 ZINC000521394878 257241207 /nfs/dbraw/zinc/24/12/07/257241207.db2.gz NXMSCMVDNRJGRC-AWEZNQCLSA-N 1 0 312.417 2.472 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1O ZINC000271859828 129974250 /nfs/dbraw/zinc/97/42/50/129974250.db2.gz 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COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CC2 ZINC000186103219 402401894 /nfs/dbraw/zinc/40/18/94/402401894.db2.gz KCRIIOFTVVVEBZ-QWHCGFSZSA-N 1 0 316.405 2.104 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000186127991 402403706 /nfs/dbraw/zinc/40/37/06/402403706.db2.gz FNEUDZOTPXCKBA-AWEZNQCLSA-N 1 0 320.433 2.379 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000186375631 402426234 /nfs/dbraw/zinc/42/62/34/402426234.db2.gz PFVNZPFDYRRECQ-KGLIPLIRSA-N 1 0 307.390 2.273 20 10 DECDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000177880604 402442153 /nfs/dbraw/zinc/44/21/53/402442153.db2.gz PAVCMGJZHXCCBV-LSDHHAIUSA-N 1 0 303.450 2.441 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699971 402480826 /nfs/dbraw/zinc/48/08/26/402480826.db2.gz CWHLQFMQHFXNSS-LSDHHAIUSA-N 1 0 322.449 2.068 20 10 DECDRO COc1cc(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)cc1OC ZINC000179443729 402589996 /nfs/dbraw/zinc/58/99/96/402589996.db2.gz HGURVHZKTCVECD-HNNXBMFYSA-N 1 0 320.433 2.470 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC000179947514 402604466 /nfs/dbraw/zinc/60/44/66/402604466.db2.gz GLRFTNWMBHRWFL-UHFFFAOYSA-N 1 0 306.406 2.235 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263706886 402793956 /nfs/dbraw/zinc/79/39/56/402793956.db2.gz JJXRXVWRLGHMRT-UONOGXRCSA-N 1 0 305.422 2.312 20 10 DECDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278197561 402861838 /nfs/dbraw/zinc/86/18/38/402861838.db2.gz IOYQEKPDHQINBD-NSHDSACASA-N 1 0 310.350 2.167 20 10 DECDRO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000278808687 402873238 /nfs/dbraw/zinc/87/32/38/402873238.db2.gz YLKZCMUJWJJHTB-UHFFFAOYSA-N 1 0 315.797 2.074 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000272108264 402898131 /nfs/dbraw/zinc/89/81/31/402898131.db2.gz GCGJWXATOUZABL-LLVKDONJSA-N 1 0 313.781 2.057 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc2ccccc2c1O ZINC000273365589 402998271 /nfs/dbraw/zinc/99/82/71/402998271.db2.gz BJFVIMUJTBWMNI-ZBFHGGJFSA-N 1 0 313.445 2.442 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280565715 403013394 /nfs/dbraw/zinc/01/33/94/403013394.db2.gz VIZFMDFZFYYISG-AHIWAGSCSA-N 1 0 307.390 2.169 20 10 DECDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268998924 403122486 /nfs/dbraw/zinc/12/24/86/403122486.db2.gz IRGLILDNCYYUAL-KGLIPLIRSA-N 1 0 310.413 2.474 20 10 DECDRO CC1CC[NH+](CCCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276500994 403181358 /nfs/dbraw/zinc/18/13/58/403181358.db2.gz CCQAULVYOTWJLL-UHFFFAOYSA-N 1 0 310.369 2.089 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000271157267 403270802 /nfs/dbraw/zinc/27/08/02/403270802.db2.gz JPKDZKHEASFEBY-UHFFFAOYSA-N 1 0 320.414 2.193 20 10 DECDRO CCOC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000285703574 403361433 /nfs/dbraw/zinc/36/14/33/403361433.db2.gz 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404004079 /nfs/dbraw/zinc/00/40/79/404004079.db2.gz UUMQXFSYURVDTN-CHWSQXEVSA-N 1 0 310.825 2.341 20 10 DECDRO COc1cccc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000290525536 404205417 /nfs/dbraw/zinc/20/54/17/404205417.db2.gz QHBCMBSSWRXORT-UHFFFAOYSA-N 1 0 300.349 2.174 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869454 404232012 /nfs/dbraw/zinc/23/20/12/404232012.db2.gz RBUKLGVQPOSYPQ-KGLIPLIRSA-N 1 0 300.406 2.364 20 10 DECDRO COCCOCCOCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296579707 404309962 /nfs/dbraw/zinc/30/99/62/404309962.db2.gz VWEKGVFNAWCJIQ-HNNXBMFYSA-N 1 0 309.406 2.039 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297257439 404523382 /nfs/dbraw/zinc/52/33/82/404523382.db2.gz UMBUHFSXQFYRCZ-FNORWQNLSA-N 1 0 316.401 2.244 20 10 DECDRO c1cnn([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365829839 404727514 /nfs/dbraw/zinc/72/75/14/404727514.db2.gz CXVSVMKWTOKVTR-GOSISDBHSA-N 1 0 312.417 2.167 20 10 DECDRO COc1cc(OC)c2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CCC2 ZINC000638530991 405529907 /nfs/dbraw/zinc/52/99/07/405529907.db2.gz QKIQADBSWJROKR-GFCCVEGCSA-N 1 0 302.374 2.031 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000373516078 227114014 /nfs/dbraw/zinc/11/40/14/227114014.db2.gz NGWUPESLYQMAGB-QGZVFWFLSA-N 1 0 301.434 2.435 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3NC2=O)c1 ZINC000527801214 337764881 /nfs/dbraw/zinc/76/48/81/337764881.db2.gz RDEITZXECNKVRK-MRXNPFEDSA-N 1 0 312.369 2.444 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001357427125 1152296951 /nfs/dbraw/zinc/29/69/51/1152296951.db2.gz ARTQXAWRNGPCAF-OAHLLOKOSA-N 1 0 305.422 2.242 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](O)C3(C)C)CC2)cc1 ZINC000361125896 533999817 /nfs/dbraw/zinc/99/98/17/533999817.db2.gz UQERSOYMAZTYJV-DLBZAZTESA-N 1 0 304.434 2.413 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000372045443 534005093 /nfs/dbraw/zinc/00/50/93/534005093.db2.gz CLGIFZANNKSGIO-HOCLYGCPSA-N 1 0 313.449 2.416 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000181113510 518283235 /nfs/dbraw/zinc/28/32/35/518283235.db2.gz MBPGXPISWGBACJ-UHFFFAOYSA-N 1 0 305.353 2.453 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180991969 519674652 /nfs/dbraw/zinc/67/46/52/519674652.db2.gz YCKXQWBGSFBOAF-VFADXPBXSA-N 1 0 318.417 2.348 20 10 DECDRO CC(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCOCC1 ZINC000113317084 519794982 /nfs/dbraw/zinc/79/49/82/519794982.db2.gz MMVWCXCXVALPOA-OAHLLOKOSA-N 1 0 312.841 2.492 20 10 DECDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181138014 520725653 /nfs/dbraw/zinc/72/56/53/520725653.db2.gz OOSLVYAHEHMFCE-VFADXPBXSA-N 1 0 318.417 2.301 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c1 ZINC000188120911 521149351 /nfs/dbraw/zinc/14/93/51/521149351.db2.gz UELUDJIGTJYSCI-DOMZBBRYSA-N 1 0 307.390 2.422 20 10 DECDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000237217665 522028021 /nfs/dbraw/zinc/02/80/21/522028021.db2.gz WSAXPWRUWSUWGE-OAHLLOKOSA-N 1 0 303.450 2.395 20 10 DECDRO CN(C)c1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000237120439 522188352 /nfs/dbraw/zinc/18/83/52/522188352.db2.gz QGPULRKGZGSFQP-GOOCMWNKSA-N 1 0 319.424 2.429 20 10 DECDRO COc1cc(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1OC ZINC000159830893 522771648 /nfs/dbraw/zinc/77/16/48/522771648.db2.gz GFIOMXZLAUUMQS-GFCCVEGCSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1OC ZINC000182218329 522781937 /nfs/dbraw/zinc/78/19/37/522781937.db2.gz VXMKBUQDEBCHQX-GOSISDBHSA-N 1 0 317.385 2.407 20 10 DECDRO COc1cccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1O ZINC000176627094 525991682 /nfs/dbraw/zinc/99/16/82/525991682.db2.gz BTNWCZIKIICHSF-KBPBESRZSA-N 1 0 321.421 2.073 20 10 DECDRO Nc1ccc(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000237891440 527475863 /nfs/dbraw/zinc/47/58/63/527475863.db2.gz 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20 10 DECDRO CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970953549 623830247 /nfs/dbraw/zinc/83/02/47/623830247.db2.gz FSQDXOBXLKLYQN-LLVKDONJSA-N 1 0 317.393 2.309 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccon3)C2)cc1C ZINC001021872111 624127697 /nfs/dbraw/zinc/12/76/97/624127697.db2.gz WTNKULYQZCCYJA-OKILXGFUSA-N 1 0 315.373 2.042 20 10 DECDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161009395 624199449 /nfs/dbraw/zinc/19/94/49/624199449.db2.gz WJZRUCMPRGMYTQ-CQSZACIVSA-N 1 0 314.433 2.416 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NCC2CC2)[NH+](C)C)cc1 ZINC000891727680 624562579 /nfs/dbraw/zinc/56/25/79/624562579.db2.gz FADSDJWIYMKOGD-INIZCTEOSA-N 1 0 304.438 2.065 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000893054454 625081359 /nfs/dbraw/zinc/08/13/59/625081359.db2.gz XPXZUBZJHYEAGU-CQSZACIVSA-N 1 0 318.465 2.202 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c(O)c1OC ZINC000892590940 625176811 /nfs/dbraw/zinc/17/68/11/625176811.db2.gz ZFTHCOUMLVBCNO-ZIAGYGMSSA-N 1 0 306.406 2.126 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCc1ccco1 ZINC000921727739 634811339 /nfs/dbraw/zinc/81/13/39/634811339.db2.gz RGYLPJHRFIYOIJ-CYBMUJFWSA-N 1 0 314.385 2.399 20 10 DECDRO COc1ccc(O)c(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000734065949 633328745 /nfs/dbraw/zinc/32/87/45/633328745.db2.gz LIFQYSPANSHDTD-ZDUSSCGKSA-N 1 0 321.421 2.074 20 10 DECDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Cl)c2[O-])N1 ZINC000124702979 633403786 /nfs/dbraw/zinc/40/37/86/633403786.db2.gz HBEQGFBFYDABCC-ZDUSSCGKSA-N 1 0 313.748 2.492 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000756336899 635180930 /nfs/dbraw/zinc/18/09/30/635180930.db2.gz CURNREPFUFGDSP-MRXNPFEDSA-N 1 0 319.449 2.027 20 10 DECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922076143 635848960 /nfs/dbraw/zinc/84/89/60/635848960.db2.gz OWSVFOXAEDSUKH-INIZCTEOSA-N 1 0 302.418 2.360 20 10 DECDRO COC(=O)c1c(C[N@H+](CCO)C2CC2)c2cc(F)ccc2n1C ZINC000893944194 636071753 /nfs/dbraw/zinc/07/17/53/636071753.db2.gz USTIUJBPPMRRAM-UHFFFAOYSA-N 1 0 320.364 2.061 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1 ZINC000922523882 636217818 /nfs/dbraw/zinc/21/78/18/636217818.db2.gz GJZJXQUHMFOYGJ-DLBZAZTESA-N 1 0 305.491 2.422 20 10 DECDRO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c(O)c1OC ZINC000894136149 636267370 /nfs/dbraw/zinc/26/73/70/636267370.db2.gz CIYBHUUFLLXLLQ-XHDPSFHLSA-N 1 0 307.390 2.409 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841828113 636328176 /nfs/dbraw/zinc/32/81/76/636328176.db2.gz REDLJYOVRATFLN-UHFFFAOYSA-N 1 0 306.454 2.378 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000922736339 636356689 /nfs/dbraw/zinc/35/66/89/636356689.db2.gz KBZHUUHYDNSFGP-SREVYHEPSA-N 1 0 324.490 2.426 20 10 DECDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209163 636449018 /nfs/dbraw/zinc/44/90/18/636449018.db2.gz 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ZINC000894770750 637199464 /nfs/dbraw/zinc/19/94/64/637199464.db2.gz QKSHRCXYOTZIHQ-UHFFFAOYSA-N 1 0 308.328 2.450 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894854013 637258255 /nfs/dbraw/zinc/25/82/55/637258255.db2.gz BEWKXMRIOXPSDZ-CYBMUJFWSA-N 1 0 308.422 2.351 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000895015054 637377008 /nfs/dbraw/zinc/37/70/08/637377008.db2.gz COHZLWPIYSLCGE-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO C[C@@H](F)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895052151 637422836 /nfs/dbraw/zinc/42/28/36/637422836.db2.gz SKDUUZLSCRMGHU-CJNGLKHVSA-N 1 0 324.444 2.403 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[NH2+]C1CC1 ZINC000237217580 637562793 /nfs/dbraw/zinc/56/27/93/637562793.db2.gz UKIAHWQEBSOLHN-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO COc1ccc([C@H](CO)C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000839185714 637813302 /nfs/dbraw/zinc/81/33/02/637813302.db2.gz XXHLAELTIAMKKO-HNNXBMFYSA-N 1 0 317.385 2.275 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1O ZINC000895237843 637828324 /nfs/dbraw/zinc/82/83/24/637828324.db2.gz VBVUWKLUGZQEEH-YPENRWOSSA-N 1 0 311.447 2.489 20 10 DECDRO COc1ccc(CNCC[C@H](C)[NH+](C)C)cc1Cn1cccn1 ZINC000895290722 637894280 /nfs/dbraw/zinc/89/42/80/637894280.db2.gz SDCRLVGSPSOBTB-HNNXBMFYSA-N 1 0 316.449 2.370 20 10 DECDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839499479 637897359 /nfs/dbraw/zinc/89/73/59/637897359.db2.gz VVPCZBNWJAPGRG-LSDHHAIUSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(O)c1OC ZINC000895366873 637971343 /nfs/dbraw/zinc/97/13/43/637971343.db2.gz PSHSYAFIFINXIN-QGZVFWFLSA-N 1 0 307.390 2.146 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000840931134 650387557 /nfs/dbraw/zinc/38/75/57/650387557.db2.gz IYQAXMCLEJCBQZ-UHFFFAOYSA-N 1 0 311.429 2.492 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNC(=O)C1CCC1 ZINC000840935053 650388804 /nfs/dbraw/zinc/38/88/04/650388804.db2.gz CVIVOCULORJWDE-UHFFFAOYSA-N 1 0 303.450 2.457 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000840935837 650389089 /nfs/dbraw/zinc/38/90/89/650389089.db2.gz AFWIIFXDEOPBFF-MRXNPFEDSA-N 1 0 310.463 2.118 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000895535594 638075450 /nfs/dbraw/zinc/07/54/50/638075450.db2.gz APICRPLUNCOWJZ-INIZCTEOSA-N 1 0 321.417 2.466 20 10 DECDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC000895575903 638089017 /nfs/dbraw/zinc/08/90/17/638089017.db2.gz KSQWUUFSMBDTDI-OKILXGFUSA-N 1 0 308.809 2.264 20 10 DECDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895588856 638099320 /nfs/dbraw/zinc/09/93/20/638099320.db2.gz QOZJZJOOQIAELS-UHFFFAOYSA-N 1 0 308.403 2.383 20 10 DECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(Cl)c1 ZINC000840948395 650393279 /nfs/dbraw/zinc/39/32/79/650393279.db2.gz DTKDSYOYFZPTNY-ZBFHGGJFSA-N 1 0 310.825 2.259 20 10 DECDRO COCCOC[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743379713 638142358 /nfs/dbraw/zinc/14/23/58/638142358.db2.gz IJDWFVCWVFEBMH-AWEZNQCLSA-N 1 0 316.401 2.425 20 10 DECDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000895786449 638196200 /nfs/dbraw/zinc/19/62/00/638196200.db2.gz TYIZQXGFGLMTNU-QGZVFWFLSA-N 1 0 323.389 2.231 20 10 DECDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895819464 638215598 /nfs/dbraw/zinc/21/55/98/638215598.db2.gz JUGRTZPSAQKVME-JTQLQIEISA-N 1 0 320.414 2.384 20 10 DECDRO COc1c(O)c(C[N@@H+]2C[C@H](OC)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000895927083 638269783 /nfs/dbraw/zinc/26/97/83/638269783.db2.gz LVJSQGABOUWFLF-ZYHUDNBSSA-N 1 0 310.350 2.308 20 10 DECDRO COc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)c1O ZINC000745699645 638284478 /nfs/dbraw/zinc/28/44/78/638284478.db2.gz XDMAQQPGWLNFQX-ZDUSSCGKSA-N 1 0 321.421 2.074 20 10 DECDRO Nc1ccc(CC[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000841034194 650409999 /nfs/dbraw/zinc/40/99/99/650409999.db2.gz GLBRPCYUVMYSSJ-UHFFFAOYSA-N 1 0 310.445 2.461 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000841044741 650412506 /nfs/dbraw/zinc/41/25/06/650412506.db2.gz YPRPKABZMLAPMZ-MRXNPFEDSA-N 1 0 314.389 2.450 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000841044587 650412511 /nfs/dbraw/zinc/41/25/11/650412511.db2.gz WNCMHPPCRWOXOR-KRWDZBQOSA-N 1 0 309.417 2.419 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000896164930 638389151 /nfs/dbraw/zinc/38/91/51/638389151.db2.gz UIZAEVURHSMNFF-SMDDNHRTSA-N 1 0 306.406 2.451 20 10 DECDRO COc1cccc(CNc2ccc3c(c2)C[NH2+]CCO3)c1O ZINC000841076649 650423891 /nfs/dbraw/zinc/42/38/91/650423891.db2.gz KUZJDVKIXIAOHA-UHFFFAOYSA-N 1 0 300.358 2.495 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395975 638501719 /nfs/dbraw/zinc/50/17/19/638501719.db2.gz WVLHXVWLCHZDKV-DYVFJYSZSA-N 1 0 304.390 2.411 20 10 DECDRO COc1cccc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000896461443 638535066 /nfs/dbraw/zinc/53/50/66/638535066.db2.gz WJVUXVUOJWAQJN-QGZVFWFLSA-N 1 0 320.389 2.111 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000896585658 638594645 /nfs/dbraw/zinc/59/46/45/638594645.db2.gz WGVCHNMEPHSDAA-CQSZACIVSA-N 1 0 308.397 2.273 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000896709617 638649281 /nfs/dbraw/zinc/64/92/81/638649281.db2.gz FRJRXJJCNLOKAW-UHFFFAOYSA-N 1 0 317.355 2.469 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897200834 639236508 /nfs/dbraw/zinc/23/65/08/639236508.db2.gz CQJVLZMLHDZRKC-LBPRGKRZSA-N 1 0 316.195 2.050 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897200833 639236680 /nfs/dbraw/zinc/23/66/80/639236680.db2.gz CQJVLZMLHDZRKC-GFCCVEGCSA-N 1 0 316.195 2.050 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1F ZINC000897261271 639294145 /nfs/dbraw/zinc/29/41/45/639294145.db2.gz ZALVLNWLVLCVRU-HNNXBMFYSA-N 1 0 322.424 2.398 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000754732820 639466975 /nfs/dbraw/zinc/46/69/75/639466975.db2.gz UWNDEOVDACMSRS-UHFFFAOYSA-N 1 0 307.390 2.294 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000756370154 639655471 /nfs/dbraw/zinc/65/54/71/639655471.db2.gz IGXKOUDMUZIZSK-ZJUUUORDSA-N 1 0 303.811 2.131 20 10 DECDRO CCC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000756618149 639679676 /nfs/dbraw/zinc/67/96/76/639679676.db2.gz RHVCXRRZOFTDOK-LBPRGKRZSA-N 1 0 306.406 2.452 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756735973 639691323 /nfs/dbraw/zinc/69/13/23/639691323.db2.gz JWNJEBIVCANPNP-BREBYQMCSA-N 1 0 304.365 2.433 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000756789669 639694800 /nfs/dbraw/zinc/69/48/00/639694800.db2.gz HYKDEIRMWDEPJC-LLVKDONJSA-N 1 0 302.378 2.108 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000756864337 639706808 /nfs/dbraw/zinc/70/68/08/639706808.db2.gz XKGKMGUZGKCBTL-ROUUACIJSA-N 1 0 314.385 2.320 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000757658651 639866100 /nfs/dbraw/zinc/86/61/00/639866100.db2.gz YXAAWKCUAOPDSA-DGCLKSJQSA-N 1 0 313.419 2.019 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000841719260 650551460 /nfs/dbraw/zinc/55/14/60/650551460.db2.gz HGYKVEAIZXFFJB-OAHLLOKOSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709774 650547065 /nfs/dbraw/zinc/54/70/65/650547065.db2.gz MIMXGMUAALCCAP-YOEHRIQHSA-N 1 0 316.449 2.084 20 10 DECDRO C[NH+](C)CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCC1 ZINC000760137766 640159007 /nfs/dbraw/zinc/15/90/07/640159007.db2.gz QFTYAWXUJXCSIJ-VURMDHGXSA-N 1 0 318.417 2.349 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759827 650558581 /nfs/dbraw/zinc/55/85/81/650558581.db2.gz IQUAUBCHZVAOTK-CYBMUJFWSA-N 1 0 310.417 2.064 20 10 DECDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987583958 640228769 /nfs/dbraw/zinc/22/87/69/640228769.db2.gz HMIOTBLZDPXROS-GWCFXTLKSA-N 1 0 303.366 2.062 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C3CC3)C2)cc1C ZINC000987713647 640266566 /nfs/dbraw/zinc/26/65/66/640266566.db2.gz KDAUORMDJUAHSH-XJKSGUPXSA-N 1 0 302.418 2.493 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000841852220 650580374 /nfs/dbraw/zinc/58/03/74/650580374.db2.gz ILLFYTTYBFUNDS-JKSUJKDBSA-N 1 0 301.434 2.050 20 10 DECDRO CN(C)c1ccc([C@H](CNc2ccc(F)nn2)[NH+](C)C)cc1 ZINC000897521781 640537799 /nfs/dbraw/zinc/53/77/99/640537799.db2.gz IYQKHVZJDPHKLE-AWEZNQCLSA-N 1 0 303.385 2.397 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000763496633 640548283 /nfs/dbraw/zinc/54/82/83/640548283.db2.gz UJIWXLOPMRYDQU-RTBURBONSA-N 1 0 317.477 2.486 20 10 DECDRO C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882968 650592343 /nfs/dbraw/zinc/59/23/43/650592343.db2.gz QBGQWLROJJDXEU-CJNGLKHVSA-N 1 0 304.438 2.336 20 10 DECDRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841883221 650593631 /nfs/dbraw/zinc/59/36/31/650593631.db2.gz SGOGMYZASJFODE-UONOGXRCSA-N 1 0 304.438 2.112 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1F ZINC000841893753 650595718 /nfs/dbraw/zinc/59/57/18/650595718.db2.gz IINKEFPMAOZCBO-LBPRGKRZSA-N 1 0 301.356 2.321 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841921817 650603360 /nfs/dbraw/zinc/60/33/60/650603360.db2.gz LTWSZGDCQFZNEZ-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000841942014 650607337 /nfs/dbraw/zinc/60/73/37/650607337.db2.gz REYOPYKYACRVCK-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841947493 650608896 /nfs/dbraw/zinc/60/88/96/650608896.db2.gz PHVUZZQIASYVJM-INIZCTEOSA-N 1 0 304.438 2.021 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCCN1C1CC1)OCO2 ZINC000766223826 640860827 /nfs/dbraw/zinc/86/08/27/640860827.db2.gz JNECYHYBENTMIA-AWEZNQCLSA-N 1 0 304.390 2.227 20 10 DECDRO CCCN(CC[NH+]1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841961179 650614369 /nfs/dbraw/zinc/61/43/69/650614369.db2.gz AUTNNQKCVNUBBQ-UHFFFAOYSA-N 1 0 318.465 2.329 20 10 DECDRO CC[N@H+](CCC(=O)NC)Cc1c(O)cccc1Br ZINC000897710116 640907780 /nfs/dbraw/zinc/90/77/80/640907780.db2.gz YNGVTLAOFYXWQZ-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[NH2+]CC1 ZINC000841977723 650617801 /nfs/dbraw/zinc/61/78/01/650617801.db2.gz ISMPXSCDKFLBNR-CQSZACIVSA-N 1 0 317.433 2.212 20 10 DECDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000897826211 640945987 /nfs/dbraw/zinc/94/59/87/640945987.db2.gz VONHAOMUETVSRF-GXSJLCMTSA-N 1 0 318.398 2.089 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1c(C)cccc1O ZINC000897988154 640996740 /nfs/dbraw/zinc/99/67/40/640996740.db2.gz XNEMCMWPRHVCBU-CYBMUJFWSA-N 1 0 315.373 2.308 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2ccc3nonc3c2)cc1OC ZINC000897991740 640997799 /nfs/dbraw/zinc/99/77/99/640997799.db2.gz SBAFWOZOBHEWLE-UHFFFAOYSA-N 1 0 315.329 2.235 20 10 DECDRO CC[N@H+](Cc1ccccn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464202 641084421 /nfs/dbraw/zinc/08/44/21/641084421.db2.gz OLWIOAHHXWQVNC-INIZCTEOSA-N 1 0 300.358 2.235 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](CC(C)C)CN(C)C)cc1OC ZINC000898316218 641099355 /nfs/dbraw/zinc/09/93/55/641099355.db2.gz LQZQUAPTLOGRRH-AWEZNQCLSA-N 1 0 310.438 2.475 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)cccc1OC)CC2 ZINC000769478489 641247838 /nfs/dbraw/zinc/24/78/38/641247838.db2.gz DUYIHJAAISZNGE-SJORKVTESA-N 1 0 321.417 2.153 20 10 DECDRO COC(=O)CN(Cc1cc(Br)ccc1O)C1CC1 ZINC000770281865 641353618 /nfs/dbraw/zinc/35/36/18/641353618.db2.gz XVTBDNZTTIOPKS-UHFFFAOYSA-N 1 0 314.179 2.292 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(OC)c(C)c2)CCCOC1 ZINC000770677997 641406623 /nfs/dbraw/zinc/40/66/23/641406623.db2.gz XPVLHFGUIHPPNN-KRWDZBQOSA-N 1 0 307.390 2.206 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCCOC1 ZINC000770678686 641406892 /nfs/dbraw/zinc/40/68/92/641406892.db2.gz NLSAHRYPZYCXOU-HNNXBMFYSA-N 1 0 313.781 2.248 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(F)ccc1O ZINC000927104220 641630066 /nfs/dbraw/zinc/63/00/66/641630066.db2.gz KFWRHTQTNRPPER-DOMZBBRYSA-N 1 0 308.397 2.435 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H]2CCCOC2)N(C)C)cc1 ZINC000898449452 641660676 /nfs/dbraw/zinc/66/06/76/641660676.db2.gz GEMQQZLVFSKMRO-MAUKXSAKSA-N 1 0 305.466 2.372 20 10 DECDRO Cc1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000898448444 641660810 /nfs/dbraw/zinc/66/08/10/641660810.db2.gz SKDWTXZMILCQNA-SFHVURJKSA-N 1 0 315.465 2.187 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c(O)c1C ZINC000927143770 641763662 /nfs/dbraw/zinc/76/36/62/641763662.db2.gz HBEWNVUTXBTIJP-OLZOCXBDSA-N 1 0 300.406 2.346 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773372246 641766209 /nfs/dbraw/zinc/76/62/09/641766209.db2.gz QMTQAKNHTGKBGD-KGLIPLIRSA-N 1 0 306.454 2.453 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c(O)c1 ZINC000927145988 641776034 /nfs/dbraw/zinc/77/60/34/641776034.db2.gz MIHWUJMMHRTHET-CHWSQXEVSA-N 1 0 300.406 2.346 20 10 DECDRO COc1c(O)c(C[NH2+]Cc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000774974986 641989255 /nfs/dbraw/zinc/98/92/55/641989255.db2.gz IFDKCWFXXCDSCH-UHFFFAOYSA-N 1 0 303.318 2.302 20 10 DECDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000775347761 642033877 /nfs/dbraw/zinc/03/38/77/642033877.db2.gz FZKIDKQIWMWFHS-JSGCOSHPSA-N 1 0 322.405 2.357 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(O)cc2)c1 ZINC000775374765 642036576 /nfs/dbraw/zinc/03/65/76/642036576.db2.gz DRCPFDMGTQPVPK-LLVKDONJSA-N 1 0 316.357 2.396 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000775834326 642102942 /nfs/dbraw/zinc/10/29/42/642102942.db2.gz RLYZEJWSGKYYQT-AWEZNQCLSA-N 1 0 312.417 2.115 20 10 DECDRO C[C@H]1[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C ZINC000775984556 642119249 /nfs/dbraw/zinc/11/92/49/642119249.db2.gz GWFTXTUGSGBCQT-HOTGVXAUSA-N 1 0 303.450 2.048 20 10 DECDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C ZINC000775984557 642119545 /nfs/dbraw/zinc/11/95/45/642119545.db2.gz GWFTXTUGSGBCQT-HZPDHXFCSA-N 1 0 303.450 2.048 20 10 DECDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775986921 642120140 /nfs/dbraw/zinc/12/01/40/642120140.db2.gz SQWAGVFQJIKJCB-LSDHHAIUSA-N 1 0 321.440 2.187 20 10 DECDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000924760112 642121509 /nfs/dbraw/zinc/12/15/09/642121509.db2.gz OHPIZVCRJBFBLI-VCBZYWHSSA-N 1 0 318.461 2.408 20 10 DECDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000776000165 642121575 /nfs/dbraw/zinc/12/15/75/642121575.db2.gz LDTKMLULZIOVAU-OLZOCXBDSA-N 1 0 322.405 2.357 20 10 DECDRO C[C@@H](CCO)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339212 642488654 /nfs/dbraw/zinc/48/86/54/642488654.db2.gz AINJLLTXNJXJMM-WFASDCNBSA-N 1 0 312.841 2.371 20 10 DECDRO CCOCc1cc(C[NH2+]CCCc2ncn(C)n2)ccc1OC ZINC000842736730 650814100 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CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000788383949 643603122 /nfs/dbraw/zinc/60/31/22/643603122.db2.gz UNGIJJSDTLEPQS-SFHVURJKSA-N 1 0 318.417 2.107 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1F ZINC000788534677 643621010 /nfs/dbraw/zinc/62/10/10/643621010.db2.gz IBZWWDHGVGSNMA-CXAGYDPISA-N 1 0 310.413 2.301 20 10 DECDRO [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccc(Cl)c1[O-])CC2 ZINC000904392466 643652506 /nfs/dbraw/zinc/65/25/06/643652506.db2.gz RJHORHNFXFKPJP-CYBMUJFWSA-N 1 0 310.825 2.375 20 10 DECDRO c1cc2c(cc1CN[C@@H]1C[NH2+]CC3(CCOCC3)C1)CCCO2 ZINC000904388260 643657813 /nfs/dbraw/zinc/65/78/13/643657813.db2.gz GURMHVBIPQJXJA-KRWDZBQOSA-N 1 0 316.445 2.260 20 10 DECDRO CCOCc1cc(C[NH2+]C2(CC(N)=O)CCC2)ccc1OC ZINC000789555693 643748674 /nfs/dbraw/zinc/74/86/74/643748674.db2.gz XNIMVOHUKQSUCK-UHFFFAOYSA-N 1 0 306.406 2.119 20 10 DECDRO CC[C@@H](C)NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905528588 643945893 /nfs/dbraw/zinc/94/58/93/643945893.db2.gz 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000839918540 645297302 /nfs/dbraw/zinc/29/73/02/645297302.db2.gz MPWZEXPWWUPVNP-HOCLYGCPSA-N 1 0 303.450 2.060 20 10 DECDRO CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[NH+](C)C ZINC000839918956 645299614 /nfs/dbraw/zinc/29/96/14/645299614.db2.gz DUPMJUZIWPLBGI-YOEHRIQHSA-N 1 0 305.466 2.448 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1)[C@H](O)CO2 ZINC000840092291 645943984 /nfs/dbraw/zinc/94/39/84/645943984.db2.gz ATZNMCIOCXZPMF-WMLDXEAASA-N 1 0 319.401 2.209 20 10 DECDRO C[C@@]12C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114660 645986420 /nfs/dbraw/zinc/98/64/20/645986420.db2.gz HSACNEDFKUXTGA-ZAPVWNLVSA-N 1 0 313.397 2.462 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c(O)c1 ZINC000808454278 646088137 /nfs/dbraw/zinc/08/81/37/646088137.db2.gz OCRQYGSHNRSVBZ-YJBOKZPZSA-N 1 0 315.369 2.375 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000808708715 646131359 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COc1ccc(C[NH2+]Cc2c(O)cccc2OC)c(OC)n1 ZINC000810176922 646335776 /nfs/dbraw/zinc/33/57/76/646335776.db2.gz BZASCXKGFXZBBR-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO COc1ccc(N2CCC(NC(=O)CC[NH2+]C(C)C)CC2)cc1 ZINC000167238149 646551638 /nfs/dbraw/zinc/55/16/38/646551638.db2.gz BBOBQCDQXYNCHH-UHFFFAOYSA-N 1 0 319.449 2.168 20 10 DECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000811974234 646597874 /nfs/dbraw/zinc/59/78/74/646597874.db2.gz PSRQKUXZFWXTIT-CYBMUJFWSA-N 1 0 323.437 2.320 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)CC[S@@](C)=O)CC2)cc1 ZINC000812836994 646703749 /nfs/dbraw/zinc/70/37/49/646703749.db2.gz ICNGVRBATDLPQZ-RCDICMHDSA-N 1 0 324.490 2.411 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1 ZINC000815601574 647034336 /nfs/dbraw/zinc/03/43/36/647034336.db2.gz ZDFQAKRIQZPFJE-LZWOXQAQSA-N 1 0 320.433 2.295 20 10 DECDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816532099 647147700 /nfs/dbraw/zinc/14/77/00/647147700.db2.gz QVEIGCYFGQSAKE-LBPRGKRZSA-N 1 0 305.399 2.070 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)ccc1N1CCOCC1 ZINC000152829331 647286388 /nfs/dbraw/zinc/28/63/88/647286388.db2.gz AJNRBROZYORUPD-UNEWFSDZSA-N 1 0 306.381 2.072 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCC[N@@H+]1C ZINC000817417334 647290034 /nfs/dbraw/zinc/29/00/34/647290034.db2.gz JYDCRKOGCLGWKJ-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](O)CO)C(C)C)cc1F ZINC000817417948 647291341 /nfs/dbraw/zinc/29/13/41/647291341.db2.gz VKSSZBZCMGYIOB-OAHLLOKOSA-N 1 0 312.429 2.236 20 10 DECDRO COc1c([O-])c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865069 647368462 /nfs/dbraw/zinc/36/84/62/647368462.db2.gz NWEWEIXIIKHAIE-MDZLAQPJSA-N 1 0 323.393 2.114 20 10 DECDRO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000817892848 647374065 /nfs/dbraw/zinc/37/40/65/647374065.db2.gz WERZZUVMYDRIFX-VKJFTORMSA-N 1 0 303.450 2.314 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000817934997 647386826 /nfs/dbraw/zinc/38/68/26/647386826.db2.gz SCLVUURAFUEALC-LZLYRXPVSA-N 1 0 319.493 2.349 20 10 DECDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2n(n1)CCC2 ZINC000817941868 647388908 /nfs/dbraw/zinc/38/89/08/647388908.db2.gz SMXCLJPWQXEHPG-DYVFJYSZSA-N 1 0 313.449 2.246 20 10 DECDRO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817943333 647390093 /nfs/dbraw/zinc/39/00/93/647390093.db2.gz UNYRWZLWVHAERJ-CVEARBPZSA-N 1 0 301.438 2.227 20 10 DECDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817952015 647391573 /nfs/dbraw/zinc/39/15/73/647391573.db2.gz MTSRSXHHDWOCAZ-ZFWWWQNUSA-N 1 0 307.413 2.065 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N2CCCCC2)cc1 ZINC000817984476 647400416 /nfs/dbraw/zinc/40/04/16/647400416.db2.gz YMAUAOLEAVTZNP-CRAIPNDOSA-N 1 0 303.450 2.316 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N2CCCCC2)cc1 ZINC000817984478 647400423 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Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(O)c1O ZINC000820441004 647845589 /nfs/dbraw/zinc/84/55/89/647845589.db2.gz QLJSSDHAQVIEHN-UHFFFAOYSA-N 1 0 306.406 2.445 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000821442720 648064286 /nfs/dbraw/zinc/06/42/86/648064286.db2.gz KFOXFHZMXCVNOG-NEPJUHHUSA-N 1 0 317.393 2.404 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921330105 648289590 /nfs/dbraw/zinc/28/95/90/648289590.db2.gz CLKJEYKQGZBZOM-RYUDHWBXSA-N 1 0 309.385 2.203 20 10 DECDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823161406 648365108 /nfs/dbraw/zinc/36/51/08/648365108.db2.gz QYGYCXJNKNOYCH-GXFFZTMASA-N 1 0 303.366 2.014 20 10 DECDRO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000824020974 648513297 /nfs/dbraw/zinc/51/32/97/648513297.db2.gz DYBFVOWJWABGIX-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000824261409 648554527 /nfs/dbraw/zinc/55/45/27/648554527.db2.gz COEHVJWVLPZKBS-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000824844811 648660825 /nfs/dbraw/zinc/66/08/25/648660825.db2.gz CZRNLXGYQKZTMJ-GUYCJALGSA-N 1 0 309.406 2.500 20 10 DECDRO CCc1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)co1 ZINC000825057405 648693822 /nfs/dbraw/zinc/69/38/22/648693822.db2.gz MUFNCTPJUZKAIQ-UHFFFAOYSA-N 1 0 314.433 2.279 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825337360 648744707 /nfs/dbraw/zinc/74/47/07/648744707.db2.gz KSDWKXGERQFEFB-LBPRGKRZSA-N 1 0 311.813 2.247 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825504650 648772234 /nfs/dbraw/zinc/77/22/34/648772234.db2.gz AQDVZOKSWKPIIF-HNNXBMFYSA-N 1 0 315.797 2.412 20 10 DECDRO CN(Cc1cnc2n1CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509139 648772629 /nfs/dbraw/zinc/77/26/29/648772629.db2.gz FTYATNNLMFMHOT-UHFFFAOYSA-N 1 0 314.433 2.406 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@@H]1CO ZINC000825634226 648791624 /nfs/dbraw/zinc/79/16/24/648791624.db2.gz JXNLKZJEJRIYAY-JOYOIKCWSA-N 1 0 300.196 2.357 20 10 DECDRO COc1cc(CN2C[C@@H](C)O[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825651712 648793914 /nfs/dbraw/zinc/79/39/14/648793914.db2.gz KFWCXYSOJPXGHL-IUODEOHRSA-N 1 0 323.433 2.280 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000827000969 648959439 /nfs/dbraw/zinc/95/94/39/648959439.db2.gz QSXNWFAWSCOUMV-INIZCTEOSA-N 1 0 303.406 2.088 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000827131728 648978323 /nfs/dbraw/zinc/97/83/23/648978323.db2.gz ASRMIGNPOLVLGV-RDJZCZTQSA-N 1 0 301.434 2.162 20 10 DECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000827500944 649044219 /nfs/dbraw/zinc/04/42/19/649044219.db2.gz ONPJEXWFTQHTEQ-JGZJWPJOSA-N 1 0 314.179 2.196 20 10 DECDRO Cc1cc(Cl)cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827698902 649071378 /nfs/dbraw/zinc/07/13/78/649071378.db2.gz CRTMGQQKEGBGTP-INIZCTEOSA-N 1 0 324.852 2.385 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3C)cc2)CC1 ZINC000828538096 649192264 /nfs/dbraw/zinc/19/22/64/649192264.db2.gz GINPYJPCSIYMKY-WMLDXEAASA-N 1 0 304.434 2.257 20 10 DECDRO [NH3+]CCCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003954 649258055 /nfs/dbraw/zinc/25/80/55/649258055.db2.gz VRKQGFQNDRZYSF-MRXNPFEDSA-N 1 0 320.433 2.419 20 10 DECDRO O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829004023 649258114 /nfs/dbraw/zinc/25/81/14/649258114.db2.gz XYWNYANSXQUZBD-HOTGVXAUSA-N 1 0 318.417 2.042 20 10 DECDRO C[N@H+](CCCNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000184770710 649370801 /nfs/dbraw/zinc/37/08/01/649370801.db2.gz OUIOVCVDXMXXGL-UHFFFAOYSA-N 1 0 314.385 2.350 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000831186062 649550141 /nfs/dbraw/zinc/55/01/41/649550141.db2.gz IPFOPIWAMOHFIR-CJNGLKHVSA-N 1 0 316.449 2.255 20 10 DECDRO Cc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000832267580 649690411 /nfs/dbraw/zinc/69/04/11/649690411.db2.gz WMBSLGLFUANZLP-OAHLLOKOSA-N 1 0 301.390 2.392 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C2CC2)C2CC2)cc1 ZINC000832267746 649690845 /nfs/dbraw/zinc/69/08/45/649690845.db2.gz ZYMRAVSPQODBCH-INIZCTEOSA-N 1 0 301.434 2.305 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COC2CCCCC2)cc1 ZINC000832272068 649690955 /nfs/dbraw/zinc/69/09/55/649690955.db2.gz CNANKESMOVPRNE-KRWDZBQOSA-N 1 0 319.449 2.218 20 10 DECDRO COc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832286019 649692323 /nfs/dbraw/zinc/69/23/23/649692323.db2.gz VKXKKHNOXIUEQV-QGZVFWFLSA-N 1 0 313.401 2.191 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000832292307 649693163 /nfs/dbraw/zinc/69/31/63/649693163.db2.gz FLUUWDUPNNFPEN-INIZCTEOSA-N 1 0 301.390 2.392 20 10 DECDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000844200988 651090834 /nfs/dbraw/zinc/09/08/34/651090834.db2.gz JOKDKNRGAKFIIW-NWDGAFQWSA-N 1 0 300.406 2.345 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000844400291 651122748 /nfs/dbraw/zinc/12/27/48/651122748.db2.gz ZNVJPQLOTGRWHB-AWEZNQCLSA-N 1 0 321.465 2.366 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCOCC(F)F)cc1 ZINC000844400848 651123267 /nfs/dbraw/zinc/12/32/67/651123267.db2.gz FUXIJICZPPXHGL-UHFFFAOYSA-N 1 0 302.365 2.345 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000844401813 651123417 /nfs/dbraw/zinc/12/34/17/651123417.db2.gz RIUMYLLYDVODFU-CQSZACIVSA-N 1 0 306.406 2.016 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)C[N@@H+]1C1CC1 ZINC000845030196 651195366 /nfs/dbraw/zinc/19/53/66/651195366.db2.gz UUXDUDUVMJTVTJ-GWCFXTLKSA-N 1 0 323.824 2.470 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000846010905 651301181 /nfs/dbraw/zinc/30/11/81/651301181.db2.gz KDRRADYNVOGBLT-IBGZPJMESA-N 1 0 313.397 2.367 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000846153975 651311656 /nfs/dbraw/zinc/31/16/56/651311656.db2.gz KXHWHJZJTGYURI-NWDGAFQWSA-N 1 0 306.406 2.451 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000846175360 651313552 /nfs/dbraw/zinc/31/35/52/651313552.db2.gz YTPXWBIASMBRKT-LLVKDONJSA-N 1 0 315.435 2.265 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)oc1C ZINC000846662935 651343840 /nfs/dbraw/zinc/34/38/40/651343840.db2.gz BPSKAQZKKWFPFU-OAHLLOKOSA-N 1 0 301.390 2.392 20 10 DECDRO C/C(=C\c1cccnc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394089 651455704 /nfs/dbraw/zinc/45/57/04/651455704.db2.gz MVXXFHNPHWXKNU-GPZRYRNASA-N 1 0 324.428 2.367 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)C)c1O ZINC000848550954 651469719 /nfs/dbraw/zinc/46/97/19/651469719.db2.gz ZUJQTWAAHRXDAJ-SECBINFHSA-N 1 0 317.227 2.376 20 10 DECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000848558079 651470513 /nfs/dbraw/zinc/47/05/13/651470513.db2.gz JOZAHFJXEZQQGY-ZANVPECISA-N 1 0 318.211 2.203 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1 ZINC000848566378 651472139 /nfs/dbraw/zinc/47/21/39/651472139.db2.gz WDZODYKBDHBNCN-RGDDUWESSA-N 1 0 311.433 2.041 20 10 DECDRO CCc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1O ZINC000848888433 651546127 /nfs/dbraw/zinc/54/61/27/651546127.db2.gz BAPJKNSIRPNQNN-UHFFFAOYSA-N 1 0 300.406 2.458 20 10 DECDRO CCc1cccc(C[N@@H+]2CCSC[C@@H]2CC(=O)OC)c1O ZINC000848888029 651546143 /nfs/dbraw/zinc/54/61/43/651546143.db2.gz KVQDVJJFFUIJEZ-AWEZNQCLSA-N 1 0 309.431 2.435 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000848891522 651548026 /nfs/dbraw/zinc/54/80/26/651548026.db2.gz ZRJMUXBKYILZND-CQSZACIVSA-N 1 0 300.406 2.458 20 10 DECDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(CC)c1O ZINC000848904299 651554009 /nfs/dbraw/zinc/55/40/09/651554009.db2.gz PPXHLOFILGKLHD-JKSUJKDBSA-N 1 0 321.417 2.497 20 10 DECDRO CCc1cccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1O ZINC000848912685 651557103 /nfs/dbraw/zinc/55/71/03/651557103.db2.gz IQTOVZPKQMGKRX-UHFFFAOYSA-N 1 0 306.406 2.186 20 10 DECDRO COCC[N@@H+](Cc1cc(C)c(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000848921851 651562067 /nfs/dbraw/zinc/56/20/67/651562067.db2.gz IHBWSWZPXTXHTN-CQSZACIVSA-N 1 0 321.339 2.381 20 10 DECDRO [NH2+]=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCCO1 ZINC000849010963 651581653 /nfs/dbraw/zinc/58/16/53/651581653.db2.gz FHHUFYTXUNRUSW-ZDUSSCGKSA-N 1 0 303.406 2.064 20 10 DECDRO COc1cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850338184 651903008 /nfs/dbraw/zinc/90/30/08/651903008.db2.gz FSVJQPSWYPAGOE-KLPPZKSPSA-N 1 0 306.406 2.052 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(CO)o3)C2)cc1 ZINC000850346249 651904954 /nfs/dbraw/zinc/90/49/54/651904954.db2.gz DDEUWFNLQNJWMZ-ZDUSSCGKSA-N 1 0 302.374 2.149 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1C ZINC000850348148 651905709 /nfs/dbraw/zinc/90/57/09/651905709.db2.gz GFMOJNOOBUPPHL-HXUWFJFHSA-N 1 0 309.353 2.410 20 10 DECDRO OC1CCC(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850394858 651919800 /nfs/dbraw/zinc/91/98/00/651919800.db2.gz GQGVAGZZMLQRJN-UHFFFAOYSA-N 1 0 322.424 2.303 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000850397825 651920231 /nfs/dbraw/zinc/92/02/31/651920231.db2.gz LJJJCUPLICPCND-AATRIKPKSA-N 1 0 322.474 2.323 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000850406187 651921339 /nfs/dbraw/zinc/92/13/39/651921339.db2.gz WDKZKGZWZLNQRS-UHFFFAOYSA-N 1 0 302.418 2.084 20 10 DECDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850411530 651923175 /nfs/dbraw/zinc/92/31/75/651923175.db2.gz DWBVGHAIIQIYKY-LRDDRELGSA-N 1 0 315.369 2.375 20 10 DECDRO CON(C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000850478935 651935869 /nfs/dbraw/zinc/93/58/69/651935869.db2.gz HTTSYULFZGPMER-SECBINFHSA-N 1 0 303.200 2.299 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccn(C)n3)C2)cc1 ZINC000850487599 651937912 /nfs/dbraw/zinc/93/79/12/651937912.db2.gz OEPHGDDQCRBVTO-KBPBESRZSA-N 1 0 300.406 2.358 20 10 DECDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850514349 651942388 /nfs/dbraw/zinc/94/23/88/651942388.db2.gz FDCVGMPPBKFBNN-KBPBESRZSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850514354 651942664 /nfs/dbraw/zinc/94/26/64/651942664.db2.gz FDCVGMPPBKFBNN-KGLIPLIRSA-N 1 0 322.424 2.474 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(C)n1-c1ccccn1 ZINC000857009270 652026171 /nfs/dbraw/zinc/02/61/71/652026171.db2.gz XRTNOLRZPPZPDC-KXBFYZLASA-N 1 0 324.428 2.443 20 10 DECDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000857060685 652043072 /nfs/dbraw/zinc/04/30/72/652043072.db2.gz DRHSQKZVWQZXHD-KRWDZBQOSA-N 1 0 301.390 2.071 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH3+])CCCC2)c1 ZINC000851671234 652204172 /nfs/dbraw/zinc/20/41/72/652204172.db2.gz JEUHGKYOLQBOQN-NSHDSACASA-N 1 0 307.394 2.033 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1O ZINC000858232437 652285319 /nfs/dbraw/zinc/28/53/19/652285319.db2.gz XVRHFQYAPHNYDS-LBPRGKRZSA-N 1 0 300.349 2.220 20 10 DECDRO COc1cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000858246782 652288326 /nfs/dbraw/zinc/28/83/26/652288326.db2.gz FSVJQPSWYPAGOE-UMSPYCQHSA-N 1 0 306.406 2.052 20 10 DECDRO CN(CC[NH2+]Cc1cc(Br)ccc1O)CC(F)F ZINC000858336227 652310734 /nfs/dbraw/zinc/31/07/34/652310734.db2.gz AJBCAKQSJVOXIS-UHFFFAOYSA-N 1 0 323.181 2.441 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000858398791 652327385 /nfs/dbraw/zinc/32/73/85/652327385.db2.gz IFQUBEANVORFKS-UHFFFAOYSA-N 1 0 317.433 2.374 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccnn2C)c2c1c(F)ccc2O ZINC000858435150 652336611 /nfs/dbraw/zinc/33/66/11/652336611.db2.gz XDRMZDHIULDKKF-YUSALJHKSA-N 1 0 305.353 2.136 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000852631040 652430504 /nfs/dbraw/zinc/43/05/04/652430504.db2.gz GBFKWAHHPFOGQN-STQMWFEESA-N 1 0 321.421 2.245 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H]2CC2(C)C)cc1 ZINC000852773053 652454400 /nfs/dbraw/zinc/45/44/00/652454400.db2.gz VDTCLLFBCPKUJC-OAHLLOKOSA-N 1 0 303.450 2.347 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3([NH3+])CC4(CCC4)C3)ccc21 ZINC000852864181 652471918 /nfs/dbraw/zinc/47/19/18/652471918.db2.gz YNYFXOZLILESGE-UHFFFAOYSA-N 1 0 313.445 2.347 20 10 DECDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000854231403 652662721 /nfs/dbraw/zinc/66/27/21/652662721.db2.gz HIBZFMGELIQFMM-QWHCGFSZSA-N 1 0 311.857 2.435 20 10 DECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000854231404 652662926 /nfs/dbraw/zinc/66/29/26/652662926.db2.gz HIBZFMGELIQFMM-STQMWFEESA-N 1 0 311.857 2.435 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000388998465 685431429 /nfs/dbraw/zinc/43/14/29/685431429.db2.gz QGGGDKXLPGASOD-WBVHZDCISA-N 1 0 304.434 2.428 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1C ZINC000391552783 685446582 /nfs/dbraw/zinc/44/65/82/685446582.db2.gz UNQZSUNDQAHNIV-MRXNPFEDSA-N 1 0 315.417 2.360 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000858552360 685556532 /nfs/dbraw/zinc/55/65/32/685556532.db2.gz GOVRSHSHPDUVOU-BMGDILEWSA-N 1 0 304.434 2.477 20 10 DECDRO Cn1cc(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000859060642 685646336 /nfs/dbraw/zinc/64/63/36/685646336.db2.gz VFDNGEMRQVLWCB-UHFFFAOYSA-N 1 0 313.449 2.480 20 10 DECDRO CCOC(C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OCC ZINC000123655473 684127071 /nfs/dbraw/zinc/12/70/71/684127071.db2.gz OGVZHWMRBBIOSE-UHFFFAOYSA-N 1 0 322.449 2.354 20 10 DECDRO C[C@H](NC(=O)CCCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000155540066 684275751 /nfs/dbraw/zinc/27/57/51/684275751.db2.gz AVVGNJOLUAJVPY-HNNXBMFYSA-N 1 0 319.449 2.220 20 10 DECDRO C[N@@H+](Cc1cc(Br)ccc1O)CC1CC(O)C1 ZINC000191155798 684422085 /nfs/dbraw/zinc/42/20/85/684422085.db2.gz FREAFFPVEZSDKS-UHFFFAOYSA-N 1 0 300.196 2.357 20 10 DECDRO CCN(CC[NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000861574621 686148280 /nfs/dbraw/zinc/14/82/80/686148280.db2.gz WQAWURGAQSJBQW-UHFFFAOYSA-N 1 0 318.465 2.413 20 10 DECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1O ZINC000862332181 686277490 /nfs/dbraw/zinc/27/74/90/686277490.db2.gz GFIXLNKXONCKIR-BXKDBHETSA-N 1 0 300.196 2.357 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1 ZINC000862432588 686302557 /nfs/dbraw/zinc/30/25/57/686302557.db2.gz JOMSQBAHOAVRCH-GOSISDBHSA-N 1 0 317.385 2.494 20 10 DECDRO C[C@]1(CO)C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@]1(C)CO ZINC000862518255 686312915 /nfs/dbraw/zinc/31/29/15/686312915.db2.gz ALZAMHFFDFIWFI-KDURUIRLSA-N 1 0 315.413 2.358 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000862513495 686313468 /nfs/dbraw/zinc/31/34/68/686313468.db2.gz HVJCAXCSNDFGBW-BXKDBHETSA-N 1 0 303.811 2.019 20 10 DECDRO [NH3+]C[C@H]1CN(Cc2cccc(F)c2O)CC[C@@H]1C(F)(F)F ZINC000863645471 686538887 /nfs/dbraw/zinc/53/88/87/686538887.db2.gz IBWCUICTILEQQO-QWRGUYRKSA-N 1 0 306.303 2.490 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000865780798 687331838 /nfs/dbraw/zinc/33/18/38/687331838.db2.gz ARKAXTVRSLYDLM-QGZVFWFLSA-N 1 0 304.434 2.428 20 10 DECDRO Cc1cn(C)nc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210465 694113485 /nfs/dbraw/zinc/11/34/85/694113485.db2.gz MTMGRNUTXRHWEA-HNNXBMFYSA-N 1 0 314.433 2.416 20 10 DECDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000866418122 687566473 /nfs/dbraw/zinc/56/64/73/687566473.db2.gz DZCJOWDLHHUYLP-VMGRFDJRSA-N 1 0 308.397 2.226 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1O ZINC000868282467 687968865 /nfs/dbraw/zinc/96/88/65/687968865.db2.gz BWBCQFXCAJHUSI-TZMCWYRMSA-N 1 0 303.406 2.237 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc3cccnc3c2O)CC[N@@H+]1C ZINC000868937748 688183993 /nfs/dbraw/zinc/18/39/93/688183993.db2.gz MRXRQPHLANHAOX-LSDHHAIUSA-N 1 0 313.401 2.287 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1C ZINC000873148288 689170710 /nfs/dbraw/zinc/17/07/10/689170710.db2.gz KTGQNPYXUXFJOD-UKRRQHHQSA-N 1 0 311.447 2.449 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ocnc2C(F)F)cc1 ZINC000876505710 689841946 /nfs/dbraw/zinc/84/19/46/689841946.db2.gz AQDHBQFARJBXTI-NSHDSACASA-N 1 0 324.331 2.108 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(O)c1 ZINC000876583164 689865782 /nfs/dbraw/zinc/86/57/82/689865782.db2.gz GGVFNCDEXQTSPO-INIZCTEOSA-N 1 0 302.418 2.439 20 10 DECDRO COCCCNC(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876630183 689882295 /nfs/dbraw/zinc/88/22/95/689882295.db2.gz SCRGIFWHLKMTSP-UHFFFAOYSA-N 1 0 320.433 2.065 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876728120 689917865 /nfs/dbraw/zinc/91/78/65/689917865.db2.gz GFPZBCOCKZIESU-HOCLYGCPSA-N 1 0 307.413 2.097 20 10 DECDRO CN1CCCc2cc(CNC(=O)/C=C\[C@H]3CCC[NH2+]C3)ccc21 ZINC000876740391 689922995 /nfs/dbraw/zinc/92/29/95/689922995.db2.gz MXQFKAIVQDSRSR-SOIVGHGOSA-N 1 0 313.445 2.241 20 10 DECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000876766795 689931109 /nfs/dbraw/zinc/93/11/09/689931109.db2.gz SGLQDIZQSQUVGH-ZBFHGGJFSA-N 1 0 311.447 2.488 20 10 DECDRO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(O)c1 ZINC000876810322 689943741 /nfs/dbraw/zinc/94/37/41/689943741.db2.gz RLUATJPWDFOAHM-WBVHZDCISA-N 1 0 315.417 2.380 20 10 DECDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876886491 689964172 /nfs/dbraw/zinc/96/41/72/689964172.db2.gz XXUTZSBFQPMVJB-ZBFHGGJFSA-N 1 0 302.418 2.261 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2)[nH]c1C ZINC000876905446 689969500 /nfs/dbraw/zinc/96/95/00/689969500.db2.gz HQLUPAFWEDLYTK-UHFFFAOYSA-N 1 0 301.390 2.466 20 10 DECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877025191 690000523 /nfs/dbraw/zinc/00/05/23/690000523.db2.gz ZEQWHJYMDVTMAV-KDOFPFPSSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000877031006 690001849 /nfs/dbraw/zinc/00/18/49/690001849.db2.gz LANHMZUGJVFMQR-MRXNPFEDSA-N 1 0 304.434 2.434 20 10 DECDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877089251 690016312 /nfs/dbraw/zinc/01/63/12/690016312.db2.gz LPPOMVAXHVKYHD-SFHVURJKSA-N 1 0 306.450 2.288 20 10 DECDRO CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877332476 690078275 /nfs/dbraw/zinc/07/82/75/690078275.db2.gz BRDXAWFJDIBAQB-UHFFFAOYSA-N 1 0 302.365 2.118 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1O ZINC000877462015 690120277 /nfs/dbraw/zinc/12/02/77/690120277.db2.gz MLJDUCMTJZAJSP-SFHVURJKSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(O)c1 ZINC000877502262 690133621 /nfs/dbraw/zinc/13/36/21/690133621.db2.gz DEKJADXYPILPTE-MRXNPFEDSA-N 1 0 304.434 2.245 20 10 DECDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877523071 690140107 /nfs/dbraw/zinc/14/01/07/690140107.db2.gz SNJJGAWQDTYDCM-INIZCTEOSA-N 1 0 306.450 2.002 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000877536183 690144824 /nfs/dbraw/zinc/14/48/24/690144824.db2.gz KJXSBDCBWUBGMB-GVDBMIGSSA-N 1 0 302.418 2.437 20 10 DECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877553365 690149604 /nfs/dbraw/zinc/14/96/04/690149604.db2.gz PFHKEWSYPZNMFB-KRWDZBQOSA-N 1 0 317.477 2.174 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(O)c1 ZINC000877553270 690149620 /nfs/dbraw/zinc/14/96/20/690149620.db2.gz MKMFUUBUHNFNQQ-KRWDZBQOSA-N 1 0 305.418 2.358 20 10 DECDRO Cc1cccc(O)c1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000877635815 690174205 /nfs/dbraw/zinc/17/42/05/690174205.db2.gz FSIRIFLCMSWQOW-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO C[C@]12C[NH+](Cc3ccc4ccccc4c3O)C[C@]1(C)C(=O)NC2=O ZINC000877667695 690184502 /nfs/dbraw/zinc/18/45/02/690184502.db2.gz JDTVAQKZZOMEIL-RTBURBONSA-N 1 0 324.380 2.030 20 10 DECDRO C[C@@](CO)([NH2+]Cc1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000877692165 690193014 /nfs/dbraw/zinc/19/30/14/690193014.db2.gz VALADCNLIJKQKO-INIZCTEOSA-N 1 0 320.320 2.437 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)c(OC)c1 ZINC000877708718 690199357 /nfs/dbraw/zinc/19/93/57/690199357.db2.gz UTLATAMABKFRFH-INIZCTEOSA-N 1 0 320.433 2.395 20 10 DECDRO OC[C@@H]1CSCCN1Cc1c(O)cccc1Br ZINC000877780505 690225391 /nfs/dbraw/zinc/22/53/91/690225391.db2.gz STGDYFXYIKPCGK-SECBINFHSA-N 1 0 318.236 2.064 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CCNC3=O)CC2)cc1Cl ZINC000877782068 690226031 /nfs/dbraw/zinc/22/60/31/690226031.db2.gz JXKSOYUIFIVDBF-UHFFFAOYSA-N 1 0 308.809 2.456 20 10 DECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cccc(OCC)c2O)C1 ZINC000877828755 690244100 /nfs/dbraw/zinc/24/41/00/690244100.db2.gz KIBXOAWLJMGMPS-GFCCVEGCSA-N 1 0 307.390 2.422 20 10 DECDRO COC(=O)c1cc(C(=O)C[NH2+][C@H](C)c2ccccc2O)c(C)[nH]1 ZINC000879649648 690699004 /nfs/dbraw/zinc/69/90/04/690699004.db2.gz APRDCIFGSYIZOS-SNVBAGLBSA-N 1 0 316.357 2.349 20 10 DECDRO CCc1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879591 691377884 /nfs/dbraw/zinc/37/78/84/691377884.db2.gz DFTWFYWHDFHIGL-UHFFFAOYSA-N 1 0 317.462 2.464 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCCC3)cc2)CC1 ZINC000883030776 691415154 /nfs/dbraw/zinc/41/51/54/691415154.db2.gz WYGHHUCSQHFFHV-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCC23OCCO3)cc1F ZINC000883178391 691449884 /nfs/dbraw/zinc/44/98/84/691449884.db2.gz VPFNYPZOFUPZCO-HNNXBMFYSA-N 1 0 312.360 2.416 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883269181 691468974 /nfs/dbraw/zinc/46/89/74/691468974.db2.gz AXOJINRMSKXPCA-CQSZACIVSA-N 1 0 305.374 2.325 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1 ZINC000883296890 691475896 /nfs/dbraw/zinc/47/58/96/691475896.db2.gz ABZXKBJQHXUBNX-RCFWFJCLSA-N 1 0 322.474 2.323 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402833 691498911 /nfs/dbraw/zinc/49/89/11/691498911.db2.gz BPNPQYVDPQNCDX-IDOMTICXSA-N 1 0 313.445 2.366 20 10 DECDRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000883581779 691544416 /nfs/dbraw/zinc/54/44/16/691544416.db2.gz GFQWQBMPWZGICC-BBRMVZONSA-N 1 0 304.438 2.207 20 10 DECDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044879469 691901688 /nfs/dbraw/zinc/90/16/88/691901688.db2.gz PDMYWIVHEOAJKY-RISCZKNCSA-N 1 0 317.393 2.452 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886262303 692038168 /nfs/dbraw/zinc/03/81/68/692038168.db2.gz OHOKHMYMFRZFJO-BWUUDZLXSA-N 1 0 304.434 2.020 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C)CCC3)cc2)CC1 ZINC000889666359 692756882 /nfs/dbraw/zinc/75/68/82/692756882.db2.gz KMVSHPLIMCDERS-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000890073771 692853015 /nfs/dbraw/zinc/85/30/15/692853015.db2.gz SFLSNIGJPUREIZ-KRWDZBQOSA-N 1 0 318.465 2.378 20 10 DECDRO COC(=O)c1c(CN(C)CC[NH+](C)C)c2cc(F)ccc2n1C ZINC000894763604 692988120 /nfs/dbraw/zinc/98/81/20/692988120.db2.gz NGWFAXHBSVXHPM-UHFFFAOYSA-N 1 0 321.396 2.097 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2CC[N@@H+]2C)C2CC2)cc1 ZINC000925403652 693267984 /nfs/dbraw/zinc/26/79/84/693267984.db2.gz NIXVMEMHRGZZOL-KRWDZBQOSA-N 1 0 316.449 2.131 20 10 DECDRO COc1ccc(N2CC[C@@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925710040 693328312 /nfs/dbraw/zinc/32/83/12/693328312.db2.gz BGXVUYDFVBGTJG-PBHICJAKSA-N 1 0 301.434 2.148 20 10 DECDRO C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000925844922 693351813 /nfs/dbraw/zinc/35/18/13/693351813.db2.gz NMWMEBFSSGPBQI-CQSZACIVSA-N 1 0 309.429 2.257 20 10 DECDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)ccc1O ZINC000927038140 693544321 /nfs/dbraw/zinc/54/43/21/693544321.db2.gz CJNRUCWPZDDEOD-NSNUZPRRSA-N 1 0 313.394 2.290 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1(O)CCCC1 ZINC001335360762 1150399602 /nfs/dbraw/zinc/39/96/02/1150399602.db2.gz LRWHWWNOWOKTBY-GOSISDBHSA-N 1 0 318.461 2.433 20 10 DECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001343395881 1150739029 /nfs/dbraw/zinc/73/90/29/1150739029.db2.gz YFQMMPQJJFSONJ-UONOGXRCSA-N 1 0 309.429 2.091 20 10 DECDRO O[C@@]1(C2CC2)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001343994838 1150790876 /nfs/dbraw/zinc/79/08/76/1150790876.db2.gz QXIAGOXIBIUULR-SFHVURJKSA-N 1 0 320.408 2.009 20 10 DECDRO C[C@@H](NC(=O)c1ncoc1C1CC[NH2+]CC1)c1ccccc1O ZINC001344462398 1150823609 /nfs/dbraw/zinc/82/36/09/1150823609.db2.gz MSRBTIIVUFGMEM-LLVKDONJSA-N 1 0 315.373 2.338 20 10 DECDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001346123932 1150943038 /nfs/dbraw/zinc/94/30/38/1150943038.db2.gz XLVOUSDYPLARFP-UHFFFAOYSA-N 1 0 305.422 2.176 20 10 DECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001348329713 1151145297 /nfs/dbraw/zinc/14/52/97/1151145297.db2.gz RLRHCJFLKNMKRG-BUUCAEBMSA-N 1 0 306.406 2.348 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1O ZINC000398975087 790301430 /nfs/dbraw/zinc/30/14/30/790301430.db2.gz BMPQUTMGQPUZAD-ZOWXZIJZSA-N 1 0 307.365 2.327 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001332649500 1149876434 /nfs/dbraw/zinc/87/64/34/1149876434.db2.gz GZDFDPGPCCVUCF-AWEZNQCLSA-N 1 0 305.422 2.232 20 10 DECDRO C[NH+](C)CCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001208133052 776556766 /nfs/dbraw/zinc/55/67/66/776556766.db2.gz ZCCQUWAUYKGVKG-UHFFFAOYSA-N 1 0 317.355 2.269 20 10 DECDRO CCc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167427061 777020125 /nfs/dbraw/zinc/02/01/25/777020125.db2.gz WBCRQIZOAXWTOP-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000694553049 777875769 /nfs/dbraw/zinc/87/57/69/777875769.db2.gz CSDWTIJZAJCMLE-GFCCVEGCSA-N 1 0 303.811 2.103 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)sn2)cc1C ZINC001126378900 778887697 /nfs/dbraw/zinc/88/76/97/778887697.db2.gz UREBGFXZEXXJJO-UHFFFAOYSA-N 1 0 319.430 2.288 20 10 DECDRO Oc1cc(O)c(CCNc2cc[nH+]cc2C(F)(F)F)cc1O ZINC001168005263 779270194 /nfs/dbraw/zinc/27/01/94/779270194.db2.gz CFCBOUPGQZKZCL-UHFFFAOYSA-N 1 0 314.263 2.294 20 10 DECDRO CCOC(=O)CCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509338 790940657 /nfs/dbraw/zinc/94/06/57/790940657.db2.gz TXCBKXKCDZBJFS-UHFFFAOYSA-N 1 0 323.389 2.359 20 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COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001203684244 800106704 /nfs/dbraw/zinc/10/67/04/800106704.db2.gz PTIDANUNKQIZDQ-HNNXBMFYSA-N 1 0 315.373 2.153 20 10 DECDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877305 800138748 /nfs/dbraw/zinc/13/87/48/800138748.db2.gz PKHVMADVGKHFRS-IRXDYDNUSA-N 1 0 307.390 2.115 20 10 DECDRO O=C(NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1)C1CCCC1 ZINC001203878680 800139442 /nfs/dbraw/zinc/13/94/42/800139442.db2.gz KDXUVPNNPFCOKO-UHFFFAOYSA-N 1 0 318.417 2.369 20 10 DECDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879140 800140017 /nfs/dbraw/zinc/14/00/17/800140017.db2.gz MEOCBEGUHMVYTB-QGZVFWFLSA-N 1 0 304.390 2.075 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC001205943390 800448722 /nfs/dbraw/zinc/44/87/22/800448722.db2.gz QJGXDTKKBICGFQ-AEFFLSMTSA-N 1 0 304.434 2.421 20 10 DECDRO COc1cc(O)c(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1Cl ZINC001206139724 800479447 /nfs/dbraw/zinc/47/94/47/800479447.db2.gz OHXWXZOILSTOHC-SECBINFHSA-N 1 0 306.740 2.223 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)cc1OC ZINC001206371774 800519707 /nfs/dbraw/zinc/51/97/07/800519707.db2.gz WBDYRUIJYIOSSE-MRXNPFEDSA-N 1 0 312.385 2.062 20 10 DECDRO COCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207032112 800662677 /nfs/dbraw/zinc/66/26/77/800662677.db2.gz NEHFSELXRVAWAS-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO CC[N@H+](C)[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001207866549 800853912 /nfs/dbraw/zinc/85/39/12/800853912.db2.gz UMDMLAFXSKDQPO-GOSISDBHSA-N 1 0 317.477 2.174 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001209874331 801299837 /nfs/dbraw/zinc/29/98/37/801299837.db2.gz NRCAAPBDKASSIO-OKILXGFUSA-N 1 0 323.868 2.359 20 10 DECDRO COc1ccc(Br)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC001231547835 801684766 /nfs/dbraw/zinc/68/47/66/801684766.db2.gz KELCPUXJFVSCPX-RKDXNWHRSA-N 1 0 316.195 2.118 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589297 801691215 /nfs/dbraw/zinc/69/12/15/801691215.db2.gz FZKAGHLQYPAQHI-UHFFFAOYSA-N 1 0 313.401 2.439 20 10 DECDRO Cc1cccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001231593773 801691690 /nfs/dbraw/zinc/69/16/90/801691690.db2.gz UPAQHDMQTYBBEK-GVDBMIGSSA-N 1 0 303.402 2.326 20 10 DECDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N(C)C)cc1OC ZINC001231858430 801738788 /nfs/dbraw/zinc/73/87/88/801738788.db2.gz WCBKPYWAAQGMNH-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001231857418 801739354 /nfs/dbraw/zinc/73/93/54/801739354.db2.gz JNBMSFSAYRNVSI-MRXNPFEDSA-N 1 0 315.421 2.190 20 10 DECDRO COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232263928 801832576 /nfs/dbraw/zinc/83/25/76/801832576.db2.gz BOTPWVRFRNFDHA-CQSZACIVSA-N 1 0 317.744 2.141 20 10 DECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270853 801836023 /nfs/dbraw/zinc/83/60/23/801836023.db2.gz KKXSFEASXGMITB-HNNXBMFYSA-N 1 0 313.781 2.439 20 10 DECDRO Oc1cc2c(cc1O)C[N@H+](Cc1c[nH]c3ncncc13)CCC2 ZINC001232657976 801935913 /nfs/dbraw/zinc/93/59/13/801935913.db2.gz JNPJEFWZZZWQBB-UHFFFAOYSA-N 1 0 310.357 2.269 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c1 ZINC001232838885 801969368 /nfs/dbraw/zinc/96/93/68/801969368.db2.gz DTBYROMTEBHQPR-UHFFFAOYSA-N 1 0 307.413 2.076 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c(O)c1 ZINC001232840498 801969610 /nfs/dbraw/zinc/96/96/10/801969610.db2.gz YNEDMRZDWBJTBF-BETUJISGSA-N 1 0 312.360 2.172 20 10 DECDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001232842217 801970989 /nfs/dbraw/zinc/97/09/89/801970989.db2.gz OKZQVQVFOVOKAI-IRXDYDNUSA-N 1 0 321.440 2.466 20 10 DECDRO C[N@@H+]1CCN(Cc2cc(O)c(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001233012047 802002359 /nfs/dbraw/zinc/00/23/59/802002359.db2.gz IBRKOZGGJAIVGD-HNNXBMFYSA-N 1 0 314.385 2.292 20 10 DECDRO CC[NH+](CC)C[C@@H]1CN(Cc2c(O)ccc(F)c2F)CCO1 ZINC001233336525 802080980 /nfs/dbraw/zinc/08/09/80/802080980.db2.gz OPDXYLMQLKNEKF-GFCCVEGCSA-N 1 0 314.376 2.213 20 10 DECDRO c1ccn(-c2ccc(-c3nnc([C@@H]4C[C@H]5C[NH2+]C[C@H]5N4)o3)cc2)c1 ZINC001217709906 802104288 /nfs/dbraw/zinc/10/42/88/802104288.db2.gz YGMORLUYGPTLSN-CWRNSKLLSA-N 1 0 321.384 2.150 20 10 DECDRO CN1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1=O ZINC001233456017 802123199 /nfs/dbraw/zinc/12/31/99/802123199.db2.gz IOHKNJDOYONOJI-UHFFFAOYSA-N 1 0 314.307 2.075 20 10 DECDRO O=C1c2cccc(OC3CC[NH2+]CC3)c2C(=O)c2cccc(O)c21 ZINC001217964308 802124808 /nfs/dbraw/zinc/12/48/08/802124808.db2.gz SNIWTJMUISLDMM-UHFFFAOYSA-N 1 0 323.348 2.298 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218036281 802135718 /nfs/dbraw/zinc/13/57/18/802135718.db2.gz WGSAQKAGPLFVIF-MEBBXXQBSA-N 1 0 323.348 2.154 20 10 DECDRO CCN1CCc2cc(O[C@@H]3C[C@@H]4CC(=O)C[C@H]3[N@@H+]4C)ccc21 ZINC001233608255 802163781 /nfs/dbraw/zinc/16/37/81/802163781.db2.gz SWRMCQUWKOHJTF-MORSLUCNSA-N 1 0 300.402 2.252 20 10 DECDRO CC(C)[NH+]1CCC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233950478 802251343 /nfs/dbraw/zinc/25/13/43/802251343.db2.gz XQRLGPAJLAOAQN-UHFFFAOYSA-N 1 0 303.362 2.293 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C(C)C)CC2)cc1 ZINC000315909149 802490653 /nfs/dbraw/zinc/49/06/53/802490653.db2.gz MYYDOWYCOAGDPU-MRXNPFEDSA-N 1 0 305.466 2.451 20 10 DECDRO CCCC(C[NH3+])(CCC)NC(=O)c1cc(O)c(O)c(OC)c1 ZINC001221375483 802561447 /nfs/dbraw/zinc/56/14/47/802561447.db2.gz KNTPNJDFVPTYBW-UHFFFAOYSA-N 1 0 310.394 2.134 20 10 DECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001343395878 1150739092 /nfs/dbraw/zinc/73/90/92/1150739092.db2.gz YFQMMPQJJFSONJ-KBPBESRZSA-N 1 0 309.429 2.091 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001343557612 1150752307 /nfs/dbraw/zinc/75/23/07/1150752307.db2.gz MOSAPAOYJFHLON-TZMCWYRMSA-N 1 0 302.418 2.133 20 10 DECDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001345159974 1150869690 /nfs/dbraw/zinc/86/96/90/1150869690.db2.gz PGLCBNOANKPPTK-IAGOWNOFSA-N 1 0 316.493 2.259 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC001345411089 1150888454 /nfs/dbraw/zinc/88/84/54/1150888454.db2.gz JJWZBJRPKNPVEO-AWEZNQCLSA-N 1 0 322.474 2.342 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593256295 994520056 /nfs/dbraw/zinc/52/00/56/994520056.db2.gz HEKPNVDLTMTDAY-VXGBXAGGSA-N 1 0 304.390 2.225 20 10 DECDRO C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[NH+](C)C ZINC001450708265 1056460290 /nfs/dbraw/zinc/46/02/90/1056460290.db2.gz PSMSWRZZBIYHFR-LBPRGKRZSA-N 1 0 309.373 2.285 20 10 DECDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001469333252 1059937443 /nfs/dbraw/zinc/93/74/43/1059937443.db2.gz POGYNCWGYSJTCK-OLZOCXBDSA-N 1 0 317.393 2.308 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CCOCC3CC3)cc2F)CC1 ZINC001473994843 1060791202 /nfs/dbraw/zinc/79/12/02/1060791202.db2.gz HFQFXRNIAZSSCI-UHFFFAOYSA-N 1 0 321.440 2.094 20 10 DECDRO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC001474099219 1060816449 /nfs/dbraw/zinc/81/64/49/1060816449.db2.gz HGBURZZTORLIQY-GOSISDBHSA-N 1 0 314.433 2.234 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CCC(F)F)cc2F)CC1 ZINC001474296452 1060844704 /nfs/dbraw/zinc/84/47/04/1060844704.db2.gz BNTVAJFFXRGAPA-UHFFFAOYSA-N 1 0 301.356 2.322 20 10 DECDRO COCCCNC(=O)C[N@H+](C)Cc1cc(C(C)C)ccc1O ZINC001474405730 1060865347 /nfs/dbraw/zinc/86/53/47/1060865347.db2.gz BLPOXFVMVBUNOO-UHFFFAOYSA-N 1 0 308.422 2.100 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(OCCO)CCOC1 ZINC001327265808 1148505803 /nfs/dbraw/zinc/50/58/03/1148505803.db2.gz FJGRXNNASQWODF-GLJUWKHASA-N 1 0 321.417 2.007 20 10 DECDRO CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507052406 1062741027 /nfs/dbraw/zinc/74/10/27/1062741027.db2.gz PPKUNFAGMSRISO-GJZGRUSLSA-N 1 0 322.449 2.365 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2=COCCC2)cc1C ZINC001480430907 1062854833 /nfs/dbraw/zinc/85/48/33/1062854833.db2.gz BHQISFBDUZBBKY-CQSZACIVSA-N 1 0 318.417 2.292 20 10 DECDRO CC[C@H](F)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809498 1063970464 /nfs/dbraw/zinc/97/04/64/1063970464.db2.gz IZDSMGXVTQGMDZ-LBPRGKRZSA-N 1 0 323.372 2.259 20 10 DECDRO COc1cc(C)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001621448407 1078174868 /nfs/dbraw/zinc/17/48/68/1078174868.db2.gz WMTFQJHYRKIDFL-HNNXBMFYSA-N 1 0 320.433 2.052 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038082925 1078216640 /nfs/dbraw/zinc/21/66/40/1078216640.db2.gz OPAWOUABKJIQJA-AGIUHOORSA-N 1 0 309.431 2.273 20 10 DECDRO C[NH+](C)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001625728360 1078249767 /nfs/dbraw/zinc/24/97/67/1078249767.db2.gz ZVEZWSFURASJBP-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575512169 1066329041 /nfs/dbraw/zinc/32/90/41/1066329041.db2.gz XXTNHAKUJGEXSV-LLVKDONJSA-N 1 0 320.414 2.383 20 10 DECDRO COc1cccc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)c1O ZINC001579278032 1067286034 /nfs/dbraw/zinc/28/60/34/1067286034.db2.gz SZIRNWJSQZGUKW-UHFFFAOYSA-N 1 0 315.373 2.490 20 10 DECDRO [NH3+]CC[C@@H](NCc1c(O)cccc1Br)C(F)F ZINC001580284669 1067550843 /nfs/dbraw/zinc/55/08/43/1067550843.db2.gz NXXJTZCIILRASS-SECBINFHSA-N 1 0 309.154 2.227 20 10 DECDRO COCCC(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001570553479 1068002387 /nfs/dbraw/zinc/00/23/87/1068002387.db2.gz QPTDPOKLHPEHSD-UHFFFAOYSA-N 1 0 320.433 2.025 20 10 DECDRO CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CC)C[NH2+]1 ZINC001573717705 1069077041 /nfs/dbraw/zinc/07/70/41/1069077041.db2.gz HAPJPLOAAQVHHJ-RNUUNTDPSA-N 1 0 304.390 2.100 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)Cc3ccccc3O)C[N@@H+]2C1 ZINC001521256180 1069225047 /nfs/dbraw/zinc/22/50/47/1069225047.db2.gz XKHWOWXQBXQHDY-FVQBIDKESA-N 1 0 302.418 2.471 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC001521929501 1069283528 /nfs/dbraw/zinc/28/35/28/1069283528.db2.gz CSHAYGZSUQXUOX-LSDHHAIUSA-N 1 0 319.449 2.154 20 10 DECDRO CCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001483794091 1079125835 /nfs/dbraw/zinc/12/58/35/1079125835.db2.gz HSCGEZZWAGDDCF-UHFFFAOYSA-N 1 0 303.366 2.111 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC001560385215 1075139048 /nfs/dbraw/zinc/13/90/48/1075139048.db2.gz QQOZFOAIDUKDQI-KBXCAEBGSA-N 1 0 301.434 2.295 20 10 DECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC001560645900 1075144851 /nfs/dbraw/zinc/14/48/51/1075144851.db2.gz IRABYCJXSCUNNQ-HNNXBMFYSA-N 1 0 310.825 2.342 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC001560840820 1075146879 /nfs/dbraw/zinc/14/68/79/1075146879.db2.gz BPBSUNQYLXLGMV-QGZVFWFLSA-N 1 0 306.450 2.452 20 10 DECDRO O=C1N(CC[NH2+]Cc2ccc(Cl)cc2O)C[C@H]2CCCCN12 ZINC001560939718 1075148653 /nfs/dbraw/zinc/14/86/53/1075148653.db2.gz OOMWIBAOPXKBAL-CQSZACIVSA-N 1 0 323.824 2.425 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ncoc2C)cc1C ZINC001567002234 1075413513 /nfs/dbraw/zinc/41/35/13/1075413513.db2.gz PBBYNDUXGIAIPQ-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO [NH3+]Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)CCO2 ZINC001580340352 1075906731 /nfs/dbraw/zinc/90/67/31/1075906731.db2.gz WTFJYDKRDWXNPH-DUXPYHPUSA-N 1 0 313.332 2.118 20 10 DECDRO [NH3+]Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCO2 ZINC001580340353 1075906964 /nfs/dbraw/zinc/90/69/64/1075906964.db2.gz WTFJYDKRDWXNPH-RQOWECAXSA-N 1 0 313.332 2.118 20 10 DECDRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001580713570 1075981484 /nfs/dbraw/zinc/98/14/84/1075981484.db2.gz CJKKMIJQCZKCIX-RDJZCZTQSA-N 1 0 319.424 2.241 20 10 DECDRO COCCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001620724088 1076093920 /nfs/dbraw/zinc/09/39/20/1076093920.db2.gz HEDDWNBMOMLIDW-UHFFFAOYSA-N 1 0 309.429 2.094 20 10 DECDRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1cc(F)ccc1O ZINC001591131404 1076710993 /nfs/dbraw/zinc/71/09/93/1076710993.db2.gz RFEFYDNSZJRWTP-UHFFFAOYSA-N 1 0 319.365 2.405 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCS(=O)(=O)C1CC1 ZINC001620971169 1077085044 /nfs/dbraw/zinc/08/50/44/1077085044.db2.gz DXWQFHZLDDTREX-UHFFFAOYSA-N 1 0 306.431 2.154 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(C(=O)[O-])ccc1O ZINC001609778484 1077921536 /nfs/dbraw/zinc/92/15/36/1077921536.db2.gz NQHXZJORYMRQLV-AHLTXXRQSA-N 1 0 304.390 2.129 20 10 DECDRO C[C@@H](CS(C)(=O)=O)N(Cc1cc(F)c(F)cc1O)C1CC1 ZINC001651952306 1079842396 /nfs/dbraw/zinc/84/23/96/1079842396.db2.gz LBPXBILSUIOXFG-VIFPVBQESA-N 1 0 319.373 2.068 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC001653069719 1079911742 /nfs/dbraw/zinc/91/17/42/1079911742.db2.gz RYVPPXSVNXBOPR-GOEBONIOSA-N 1 0 323.458 2.382 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001658502612 1080210670 /nfs/dbraw/zinc/21/06/70/1080210670.db2.gz IAAQMRBBBUSTJC-HUUCEWRRSA-N 1 0 310.825 2.077 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCN(C)C2)N(C)C)cc1 ZINC001659060537 1080228775 /nfs/dbraw/zinc/22/87/75/1080228775.db2.gz QWUOHDCCWPIQTQ-AEFFLSMTSA-N 1 0 304.482 2.039 20 10 DECDRO COc1cc(C)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c(O)c1 ZINC001660462483 1080335373 /nfs/dbraw/zinc/33/53/73/1080335373.db2.gz HEVPKVPXJHISCY-UHFFFAOYSA-N 1 0 320.433 2.447 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(F)F)cc1C ZINC001662147491 1080573461 /nfs/dbraw/zinc/57/34/61/1080573461.db2.gz XHTQAOZOYSOZMF-LLVKDONJSA-N 1 0 300.349 2.253 20 10 DECDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc[nH]c2)cc1C ZINC001268539367 1080733856 /nfs/dbraw/zinc/73/38/56/1080733856.db2.gz HUTMRKGHGAFFJW-ONEGZZNKSA-N 1 0 313.401 2.408 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@]23CCC[C@]2(OC)OCC3)c1O ZINC001665634758 1081052637 /nfs/dbraw/zinc/05/26/37/1081052637.db2.gz QGWXXYAEEOIHFK-SJORKVTESA-N 1 0 307.390 2.485 20 10 DECDRO CC[C@@H](CNC(=O)c1cnco1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269441970 1081248447 /nfs/dbraw/zinc/24/84/47/1081248447.db2.gz CPMKRSFLVJKIQJ-AWEZNQCLSA-N 1 0 317.389 2.290 20 10 DECDRO O=C(c1ccc(O)c(O)c1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001270038536 1081434841 /nfs/dbraw/zinc/43/48/41/1081434841.db2.gz ZHPSZBSPHQCKEK-UHFFFAOYSA-N 1 0 316.401 2.188 20 10 DECDRO Cc1cc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)ccc1N(C)C ZINC001276929460 1083685715 /nfs/dbraw/zinc/68/57/15/1083685715.db2.gz YAHTYSZMBGUDLM-HNNXBMFYSA-N 1 0 301.434 2.148 20 10 DECDRO COc1cccc(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)c1O ZINC001277452023 1083977910 /nfs/dbraw/zinc/97/79/10/1083977910.db2.gz NOBCABJFXXBSEJ-ZDUSSCGKSA-N 1 0 318.417 2.268 20 10 DECDRO O=C(N1CC=CC1)C12CC([NH2+]Cc3ccc4c(c3)CCCO4)(C1)C2 ZINC001277507359 1084008884 /nfs/dbraw/zinc/00/88/84/1084008884.db2.gz WUXHXFKWRQLSPJ-UHFFFAOYSA-N 1 0 324.424 2.422 20 10 DECDRO CCOC(=O)[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657964 1084189956 /nfs/dbraw/zinc/18/99/56/1084189956.db2.gz OJEWVQJPJLHXNH-AWEZNQCLSA-N 1 0 306.406 2.159 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)SC)cc1C ZINC001491397504 1084280059 /nfs/dbraw/zinc/28/00/59/1084280059.db2.gz BAYTXLPVPASCQC-QWHCGFSZSA-N 1 0 310.463 2.349 20 10 DECDRO CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[NH2+]1 ZINC001235730072 1084512401 /nfs/dbraw/zinc/51/24/01/1084512401.db2.gz IKFBAXPYNFBMOD-HNNXBMFYSA-N 1 0 323.868 2.360 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)C[C@@H]1CCC[NH2+]1 ZINC001236122364 1084617480 /nfs/dbraw/zinc/61/74/80/1084617480.db2.gz RHGJGHXCESQTIY-HNNXBMFYSA-N 1 0 323.868 2.360 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC001626080152 1085987737 /nfs/dbraw/zinc/98/77/37/1085987737.db2.gz YAYIRZZDKCSWNG-TZMCWYRMSA-N 1 0 306.406 2.137 20 10 DECDRO C[S@@](=O)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706821858 1086651984 /nfs/dbraw/zinc/65/19/84/1086651984.db2.gz RVDVIKUVODZZPX-QGZVFWFLSA-N 1 0 318.236 2.155 20 10 DECDRO Oc1ccccc1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275267026 1091645499 /nfs/dbraw/zinc/64/54/99/1091645499.db2.gz JHMKGLBPXYEWFA-CALCHBBNSA-N 1 0 302.418 2.220 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c1 ZINC001275419377 1091732330 /nfs/dbraw/zinc/73/23/30/1091732330.db2.gz WWUVWQNRQOESJF-IRXDYDNUSA-N 1 0 313.401 2.275 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CO)c(O)cc1Br ZINC001250120665 1091874120 /nfs/dbraw/zinc/87/41/20/1091874120.db2.gz MAAKEKJXVWGANR-LLVKDONJSA-N 1 0 300.196 2.420 20 10 DECDRO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275909414 1092292373 /nfs/dbraw/zinc/29/23/73/1092292373.db2.gz YASVMFYXGAJOQF-IYBDPMFKSA-N 1 0 316.380 2.103 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001276009078 1092501731 /nfs/dbraw/zinc/50/17/31/1092501731.db2.gz GOERRBVNZBYDII-GOSISDBHSA-N 1 0 318.417 2.398 20 10 DECDRO COc1cc(N(C)C)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236239854 1138342730 /nfs/dbraw/zinc/34/27/30/1138342730.db2.gz INOJRFDXHHVBRQ-KRWDZBQOSA-N 1 0 303.450 2.478 20 10 DECDRO COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1Cl ZINC001236321955 1138352092 /nfs/dbraw/zinc/35/20/92/1138352092.db2.gz XOGJKTSIBINZRQ-TXEJJXNPSA-N 1 0 310.825 2.486 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c1 ZINC001236670380 1138392666 /nfs/dbraw/zinc/39/26/66/1138392666.db2.gz XLSBPQAWWMTVDD-RYUDHWBXSA-N 1 0 311.223 2.351 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H]1C ZINC001236751514 1138407555 /nfs/dbraw/zinc/40/75/55/1138407555.db2.gz GPVNGEWZHYIALH-AAEUAGOBSA-N 1 0 323.389 2.183 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236753328 1138410848 /nfs/dbraw/zinc/41/08/48/1138410848.db2.gz LUTNDYOYVXGEFA-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO Oc1cc(CN2CC[C@@]23CCOC3)c(O)cc1Br ZINC001236765611 1138418165 /nfs/dbraw/zinc/41/81/65/1138418165.db2.gz QDMVOJCHWCPOGM-ZDUSSCGKSA-N 1 0 314.179 2.225 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236773017 1138424583 /nfs/dbraw/zinc/42/45/83/1138424583.db2.gz NCGDQUNDRPHNAX-VIFPVBQESA-N 1 0 316.195 2.065 20 10 DECDRO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236786334 1138427177 /nfs/dbraw/zinc/42/71/77/1138427177.db2.gz AROHXSKEQWYSBQ-GOEBONIOSA-N 1 0 302.418 2.397 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(CC)cc2O)CC1 ZINC001236788833 1138428784 /nfs/dbraw/zinc/42/87/84/1138428784.db2.gz PHYDILLYAMHIRJ-HNNXBMFYSA-N 1 0 319.401 2.299 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c(O)c1 ZINC001236795674 1138430477 /nfs/dbraw/zinc/43/04/77/1138430477.db2.gz YPXNDJOUSKVTFK-UHFFFAOYSA-N 1 0 302.418 2.447 20 10 DECDRO COC(=O)CC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236807336 1138435170 /nfs/dbraw/zinc/43/51/70/1138435170.db2.gz GCOCJLVGRDLELY-UHFFFAOYSA-N 1 0 307.390 2.484 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC001236812116 1138436621 /nfs/dbraw/zinc/43/66/21/1138436621.db2.gz ZPHQUHHLGIEGQO-CYBMUJFWSA-N 1 0 302.378 2.138 20 10 DECDRO COc1cc(C)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001236816030 1138438225 /nfs/dbraw/zinc/43/82/25/1138438225.db2.gz QDYIUBVPAYKCPS-INIZCTEOSA-N 1 0 320.433 2.006 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC001237050478 1138489998 /nfs/dbraw/zinc/48/99/98/1138489998.db2.gz BTROXJVVOYYWDK-NSHDSACASA-N 1 0 305.296 2.290 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c(Br)c1 ZINC001237062774 1138492457 /nfs/dbraw/zinc/49/24/57/1138492457.db2.gz OOFQLGQOYNPRCJ-SECBINFHSA-N 1 0 316.195 2.120 20 10 DECDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(Cl)c(Cl)cc1O ZINC001237172696 1138513208 /nfs/dbraw/zinc/51/32/08/1138513208.db2.gz KAMFFOKSRAKLNJ-AAEUAGOBSA-N 1 0 305.205 2.118 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237672852 1138745327 /nfs/dbraw/zinc/74/53/27/1138745327.db2.gz AZIPIQKJPOKADB-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO Cc1cc(Cl)cc(CN2CCN(CC[NH+](C)C)CC2)c1O ZINC001237682187 1138755445 /nfs/dbraw/zinc/75/54/45/1138755445.db2.gz ZVUHATVUXKFFFT-UHFFFAOYSA-N 1 0 311.857 2.033 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1O ZINC001238060275 1138819258 /nfs/dbraw/zinc/81/92/58/1138819258.db2.gz GKHRCDJHVOAUNL-UHFFFAOYSA-N 1 0 306.381 2.474 20 10 DECDRO CC1=NC2(CC[NH+](Cc3cc(F)cc(C)c3O)CC2)C(=O)N1C ZINC001238064307 1138819540 /nfs/dbraw/zinc/81/95/40/1138819540.db2.gz AIGBNYXUTXAAJI-UHFFFAOYSA-N 1 0 319.380 2.065 20 10 DECDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(F)cc(C)c2O)CCO1 ZINC001238067264 1138819579 /nfs/dbraw/zinc/81/95/79/1138819579.db2.gz QUPJXAWPOYQDQK-MRXNPFEDSA-N 1 0 310.413 2.382 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c1O ZINC001278354146 1140043477 /nfs/dbraw/zinc/04/34/77/1140043477.db2.gz GIMAMYDSAXZVHB-QAPCUYQASA-N 1 0 302.418 2.487 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c1O ZINC001278354147 1140044072 /nfs/dbraw/zinc/04/40/72/1140044072.db2.gz GIMAMYDSAXZVHB-YJBOKZPZSA-N 1 0 302.418 2.487 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2O ZINC001320244095 1140841063 /nfs/dbraw/zinc/84/10/63/1140841063.db2.gz AIBCXBFTGXBIAW-WFASDCNBSA-N 1 0 322.424 2.374 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC/C=C\C[NH2+]CC2CC2)cc1 ZINC001321430211 1141251222 /nfs/dbraw/zinc/25/12/22/1141251222.db2.gz QCBVMRAGGNXHEL-NNTZTVAXSA-N 1 0 315.377 2.135 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(O)c1 ZINC001249178752 1141857494 /nfs/dbraw/zinc/85/74/94/1141857494.db2.gz VITJPERACSKFDU-GOSISDBHSA-N 1 0 321.417 2.092 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)c(O)c1 ZINC001249215046 1141859620 /nfs/dbraw/zinc/85/96/20/1141859620.db2.gz VHQPHSUQWIHDMY-OAHLLOKOSA-N 1 0 305.374 2.051 20 10 DECDRO Oc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1O ZINC001250686572 1142266873 /nfs/dbraw/zinc/26/68/73/1142266873.db2.gz VSYAVYVUDIGZNF-CYBMUJFWSA-N 1 0 323.776 2.281 20 10 DECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001336289993 1142396534 /nfs/dbraw/zinc/39/65/34/1142396534.db2.gz FEBDIMZUMGBJHS-BBRMVZONSA-N 1 0 302.422 2.037 20 10 DECDRO COCCn1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC001336776424 1142569252 /nfs/dbraw/zinc/56/92/52/1142569252.db2.gz DAUJXYMMDOBXLM-UHFFFAOYSA-N 1 0 301.390 2.144 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccccc2)c1O ZINC001252306499 1142680240 /nfs/dbraw/zinc/68/02/40/1142680240.db2.gz JSUQEXVZHNIGGR-QGZVFWFLSA-N 1 0 301.386 2.368 20 10 DECDRO Nc1ccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC001338791825 1142879221 /nfs/dbraw/zinc/87/92/21/1142879221.db2.gz ABCKIOFVXXRBNQ-UHFFFAOYSA-N 1 0 304.438 2.319 20 10 DECDRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2O)c1 ZINC001253957523 1143012135 /nfs/dbraw/zinc/01/21/35/1143012135.db2.gz IJXGSCFDUNYHFP-OAHLLOKOSA-N 1 0 317.385 2.273 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001339835047 1143125200 /nfs/dbraw/zinc/12/52/00/1143125200.db2.gz IXFVNHDVAGMGMO-KGLIPLIRSA-N 1 0 309.385 2.203 20 10 DECDRO OCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001255474305 1143653614 /nfs/dbraw/zinc/65/36/14/1143653614.db2.gz PFEHUNGSIZOQDV-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677390 1143662196 /nfs/dbraw/zinc/66/21/96/1143662196.db2.gz NGZWCSFEHBXMLE-BBRMVZONSA-N 1 0 303.450 2.449 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001341983251 1143760613 /nfs/dbraw/zinc/76/06/13/1143760613.db2.gz IOFXPNHFXFENIN-CABCVRRESA-N 1 0 312.417 2.346 20 10 DECDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N2CCCC2)cc1 ZINC001261376499 1144239598 /nfs/dbraw/zinc/23/95/98/1144239598.db2.gz PZZCEICWLCIAQO-DLBZAZTESA-N 1 0 317.477 2.174 20 10 DECDRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001262558443 1144318722 /nfs/dbraw/zinc/31/87/22/1144318722.db2.gz GAXZTSBCQULJRJ-KRWDZBQOSA-N 1 0 306.450 2.288 20 10 DECDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC001262584912 1144321288 /nfs/dbraw/zinc/32/12/88/1144321288.db2.gz NUMGKQMDQYWULK-KRWDZBQOSA-N 1 0 318.465 2.183 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001262618374 1144323200 /nfs/dbraw/zinc/32/32/00/1144323200.db2.gz VDGUYUBWXBTPRJ-DZGCQCFKSA-N 1 0 320.433 2.265 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001353404288 1151828564 /nfs/dbraw/zinc/82/85/64/1151828564.db2.gz WUSFRMZBOUKPRO-OAHLLOKOSA-N 1 0 304.438 2.188 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001290290462 1146834651 /nfs/dbraw/zinc/83/46/51/1146834651.db2.gz KTDXWEFDBPORNW-OAHLLOKOSA-N 1 0 307.413 2.145 20 10 DECDRO COc1cc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC001306961081 1146844504 /nfs/dbraw/zinc/84/45/04/1146844504.db2.gz VMMSVYBGTSUDNQ-UHFFFAOYSA-N 1 0 309.366 2.144 20 10 DECDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001301481530 1147292594 /nfs/dbraw/zinc/29/25/94/1147292594.db2.gz NUXPVPNHZWBXHQ-ZFWWWQNUSA-N 1 0 320.433 2.219 20 10 DECDRO CC[N@H+](CCCF)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317492276 1147715010 /nfs/dbraw/zinc/71/50/10/1147715010.db2.gz KEGNHEBVMGNKCH-UHFFFAOYSA-N 1 0 323.372 2.260 20 10 DECDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1c(F)ccc(O)c1O ZINC001325220746 1147885480 /nfs/dbraw/zinc/88/54/80/1147885480.db2.gz ULCJKJFGJKCBPG-LBPRGKRZSA-N 1 0 324.396 2.477 20 10 DECDRO COCCNC(=O)C1([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575154 1147953812 /nfs/dbraw/zinc/95/38/12/1147953812.db2.gz VZPUNGKAGIDGED-QWHCGFSZSA-N 1 0 318.417 2.134 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325740677 1147993782 /nfs/dbraw/zinc/99/37/82/1147993782.db2.gz WPZPHMCRQUYOSD-INIZCTEOSA-N 1 0 321.490 2.244 20 10 DECDRO C[NH2+][C@H](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001326133978 1148043841 /nfs/dbraw/zinc/04/38/41/1148043841.db2.gz SAPRJXPUPQPPNX-MRVPVSSYSA-N 1 0 320.220 2.496 20 10 DECDRO C[NH2+][C@@H](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001326133980 1148044237 /nfs/dbraw/zinc/04/42/37/1148044237.db2.gz SAPRJXPUPQPPNX-QMMMGPOBSA-N 1 0 320.220 2.496 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1cc(Br)ccc1O ZINC000071266125 190949558 /nfs/dbraw/zinc/94/95/58/190949558.db2.gz WJNQKPKCPAGMKR-CMPLNLGQSA-N 1 0 318.211 2.203 20 10 DECDRO CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000043293161 354217797 /nfs/dbraw/zinc/21/77/97/354217797.db2.gz LMWZBXJMLWEVJA-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000062506652 354636397 /nfs/dbraw/zinc/63/63/97/354636397.db2.gz ZAYFOBSQDSVQFV-CQSZACIVSA-N 1 0 306.454 2.234 20 10 DECDRO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccc(F)c(F)c1 ZINC000592503509 357888271 /nfs/dbraw/zinc/88/82/71/357888271.db2.gz AKXHVYWLJUYXLE-SNVBAGLBSA-N 1 0 320.343 2.274 20 10 DECDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC4(CC4)c4ccccc43)c21 ZINC000592536626 357899301 /nfs/dbraw/zinc/89/93/01/357899301.db2.gz YKWVRNKYELINOB-CYBMUJFWSA-N 1 0 322.412 2.411 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621652617 364489269 /nfs/dbraw/zinc/48/92/69/364489269.db2.gz AQVOJPAEUULKIM-AWEZNQCLSA-N 1 0 317.433 2.258 20 10 DECDRO COCCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000530095597 284339799 /nfs/dbraw/zinc/33/97/99/284339799.db2.gz OURAPFUXADASHF-MRXNPFEDSA-N 1 0 307.390 2.067 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000273533145 130133695 /nfs/dbraw/zinc/13/36/95/130133695.db2.gz WTIWINHFDXGHES-JQWIXIFHSA-N 1 0 317.389 2.492 20 10 DECDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273562932 130136432 /nfs/dbraw/zinc/13/64/32/130136432.db2.gz IPOVIYGONZPTRV-SECBINFHSA-N 1 0 315.211 2.332 20 10 DECDRO CCOC(=O)[C@@](C)(O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274680468 130253343 /nfs/dbraw/zinc/25/33/43/130253343.db2.gz WUEATIFXZIDZLB-SFHVURJKSA-N 1 0 320.433 2.031 20 10 DECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274911257 130272677 /nfs/dbraw/zinc/27/26/77/130272677.db2.gz IZLWAIWPIZCWMT-NWDGAFQWSA-N 1 0 308.422 2.312 20 10 DECDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000275593873 130345776 /nfs/dbraw/zinc/34/57/76/130345776.db2.gz PXOJRHRSWDVNSC-BBRMVZONSA-N 1 0 317.389 2.237 20 10 DECDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000289190977 131364286 /nfs/dbraw/zinc/36/42/86/131364286.db2.gz AVEOZYSEEWCMGP-HNNXBMFYSA-N 1 0 321.396 2.301 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000273439621 292014095 /nfs/dbraw/zinc/01/40/95/292014095.db2.gz YBCPTAHUCDUOLY-CHWSQXEVSA-N 1 0 318.417 2.314 20 10 DECDRO CC(C)C[N@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000132901050 401876053 /nfs/dbraw/zinc/87/60/53/401876053.db2.gz BQTYZUAZIXSQOE-UHFFFAOYSA-N 1 0 315.211 2.098 20 10 DECDRO O=C1OCC[C@@H]1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120529849 401993065 /nfs/dbraw/zinc/99/30/65/401993065.db2.gz AQBXFLOIKJPVES-HOCLYGCPSA-N 1 0 319.401 2.326 20 10 DECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000152462164 402096957 /nfs/dbraw/zinc/09/69/57/402096957.db2.gz SGNSKCFUMNACLD-PRHODGIISA-N 1 0 320.252 2.357 20 10 DECDRO CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccccc1O ZINC000155166003 402246734 /nfs/dbraw/zinc/24/67/34/402246734.db2.gz YHVBNEMFFXYJSZ-AWEZNQCLSA-N 1 0 314.451 2.105 20 10 DECDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000184921125 402309626 /nfs/dbraw/zinc/30/96/26/402309626.db2.gz CDYCTCUMXDQEAQ-GFCCVEGCSA-N 1 0 322.430 2.135 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1F ZINC000185291772 402341544 /nfs/dbraw/zinc/34/15/44/402341544.db2.gz FAXJADXQPGQYJE-UHFFFAOYSA-N 1 0 322.428 2.127 20 10 DECDRO Cc1cc(Br)cc(CN(C)CC[NH+](C)C)c1O ZINC000160967923 402367716 /nfs/dbraw/zinc/36/77/16/402367716.db2.gz CJTILCAIEDUSFU-UHFFFAOYSA-N 1 0 301.228 2.457 20 10 DECDRO C[C@H]([NH2+]CCCOCCO)c1ccc(Br)cc1O ZINC000186514509 402438138 /nfs/dbraw/zinc/43/81/38/402438138.db2.gz HCNBMTLJCJXORW-JTQLQIEISA-N 1 0 318.211 2.204 20 10 DECDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000248357053 402587497 /nfs/dbraw/zinc/58/74/97/402587497.db2.gz PAVCMGJZHXCCBV-GJZGRUSLSA-N 1 0 303.450 2.441 20 10 DECDRO Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(O)c1O ZINC000179441585 402590354 /nfs/dbraw/zinc/59/03/54/402590354.db2.gz XEOOBEKZEZEKRL-UHFFFAOYSA-N 1 0 306.406 2.399 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179488206 402591934 /nfs/dbraw/zinc/59/19/34/402591934.db2.gz XEBCDRXUXJUVSV-AWEZNQCLSA-N 1 0 304.390 2.034 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179702424 402598334 /nfs/dbraw/zinc/59/83/34/402598334.db2.gz ZUQMULRRVLLKCA-CQSZACIVSA-N 1 0 318.417 2.139 20 10 DECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCS1 ZINC000192183892 402716580 /nfs/dbraw/zinc/71/65/80/402716580.db2.gz ASJPNEYODZASCR-CQSZACIVSA-N 1 0 321.490 2.196 20 10 DECDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc3c(cc2O)OCO3)c(C)o1 ZINC000174440175 402741099 /nfs/dbraw/zinc/74/10/99/402741099.db2.gz AQNVARHSIUDZDA-KRWDZBQOSA-N 1 0 319.357 2.328 20 10 DECDRO C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158269 402767155 /nfs/dbraw/zinc/76/71/55/402767155.db2.gz UCIAJSUSIFLMDU-OLZOCXBDSA-N 1 0 318.417 2.481 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CCN(CCOC)C2)ccc1OC ZINC000264590676 402890844 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OC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOc2ccccc21 ZINC000282490945 403155420 /nfs/dbraw/zinc/15/54/20/403155420.db2.gz XMMGPBPICWAZAW-KRWDZBQOSA-N 1 0 303.333 2.291 20 10 DECDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000270656192 403209512 /nfs/dbraw/zinc/20/95/12/403209512.db2.gz RXUSQJUQUCBVGA-UHFFFAOYSA-N 1 0 317.408 2.415 20 10 DECDRO COc1cc(O)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000293692126 403538964 /nfs/dbraw/zinc/53/89/64/403538964.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 1 0 320.433 2.327 20 10 DECDRO Cc1cccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000294225926 403677317 /nfs/dbraw/zinc/67/73/17/403677317.db2.gz ZBRCGWTURQBUSD-KRWDZBQOSA-N 1 0 305.418 2.358 20 10 DECDRO COc1ncc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1Cl ZINC000295136389 403771474 /nfs/dbraw/zinc/77/14/74/403771474.db2.gz ZBOQFXOZMLPNNJ-UHFFFAOYSA-N 1 0 322.748 2.468 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000294828459 403735427 /nfs/dbraw/zinc/73/54/27/403735427.db2.gz PTSFNBUCQRGGNF-HNNXBMFYSA-N 1 0 322.405 2.454 20 10 DECDRO C[C@@H]([NH2+]C1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294978935 403738844 /nfs/dbraw/zinc/73/88/44/403738844.db2.gz GTROANAIMXDIRC-CZUORRHYSA-N 1 0 318.417 2.040 20 10 DECDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295069319 403749329 /nfs/dbraw/zinc/74/93/29/403749329.db2.gz HGMIATGCUPICQY-SNVBAGLBSA-N 1 0 316.760 2.457 20 10 DECDRO CCOCc1cc(C[NH2+]CC(C)(C)OCCO)ccc1OC ZINC000288497103 403755570 /nfs/dbraw/zinc/75/55/70/403755570.db2.gz RNJWEBXICOULNS-UHFFFAOYSA-N 1 0 311.422 2.109 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000288471942 403755820 /nfs/dbraw/zinc/75/58/20/403755820.db2.gz FUVVCYLADFEAJI-QAPCUYQASA-N 1 0 316.376 2.476 20 10 DECDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000362045173 403919849 /nfs/dbraw/zinc/91/98/49/403919849.db2.gz KMEIBFRKSXIOQR-LBPRGKRZSA-N 1 0 309.797 2.035 20 10 DECDRO Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1O ZINC000295768706 404012826 /nfs/dbraw/zinc/01/28/26/404012826.db2.gz CLDOSSDVJVXFLB-AWEZNQCLSA-N 1 0 315.373 2.363 20 10 DECDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3O)CC2)C1 ZINC000367472809 405061107 /nfs/dbraw/zinc/06/11/07/405061107.db2.gz WFMLLHNNGLXXIO-MRXNPFEDSA-N 1 0 323.868 2.257 20 10 DECDRO Nc1ccc(CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237931123 225212638 /nfs/dbraw/zinc/21/26/38/225212638.db2.gz GIFIYGWFUSNCKM-UHFFFAOYSA-N 1 0 323.440 2.249 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000834899808 649858832 /nfs/dbraw/zinc/85/88/32/649858832.db2.gz KQDBIONIHPAUMD-DTWKUNHWSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000834906394 649858962 /nfs/dbraw/zinc/85/89/62/649858962.db2.gz PYHCDDKNHGOHLJ-DHSIGJKJSA-N 1 0 322.424 2.474 20 10 DECDRO CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000662530472 425676523 /nfs/dbraw/zinc/67/65/23/425676523.db2.gz ATKKSQNZOSHIIM-VIFPVBQESA-N 1 0 306.316 2.041 20 10 DECDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271071709 276073562 /nfs/dbraw/zinc/07/35/62/276073562.db2.gz VXTYNEGBXZTUHM-LBPRGKRZSA-N 1 0 323.393 2.390 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286323389 280189576 /nfs/dbraw/zinc/18/95/76/280189576.db2.gz XQRXDSDKSRMYDR-WMLDXEAASA-N 1 0 323.456 2.456 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001349878005 1151301959 /nfs/dbraw/zinc/30/19/59/1151301959.db2.gz MVPVXUCHXFYXEL-OAHLLOKOSA-N 1 0 300.406 2.057 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000583014032 337229075 /nfs/dbraw/zinc/22/90/75/337229075.db2.gz BMDDWHBRUCXIEX-UHFFFAOYSA-N 1 0 312.417 2.206 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc1 ZINC001357361208 1152293055 /nfs/dbraw/zinc/29/30/55/1152293055.db2.gz FJBLLUAOHGTQNA-QAPCUYQASA-N 1 0 301.434 2.291 20 10 DECDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001357791410 1152339102 /nfs/dbraw/zinc/33/91/02/1152339102.db2.gz LOLLOEKOTJAIJK-MRXNPFEDSA-N 1 0 316.449 2.188 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCCC(=O)N(C)C)CC2)cc1 ZINC001329870438 1149006770 /nfs/dbraw/zinc/00/67/70/1149006770.db2.gz LIVBIKHLFVTPLG-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025545 649867903 /nfs/dbraw/zinc/86/79/03/649867903.db2.gz KSAPAYJDACSERS-PJFORWJISA-N 1 0 301.434 2.352 20 10 DECDRO COCC1(O)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026923 649868246 /nfs/dbraw/zinc/86/82/46/649868246.db2.gz YYBICNPHTDBTCO-PLNGDYQASA-N 1 0 304.434 2.239 20 10 DECDRO COC(=O)C[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000377174399 533735030 /nfs/dbraw/zinc/73/50/30/533735030.db2.gz FRXJGHIDIAXBLE-AWEZNQCLSA-N 1 0 315.369 2.309 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCN2CCCC2=O)cc1 ZINC000835027522 649868652 /nfs/dbraw/zinc/86/86/52/649868652.db2.gz FVKFXFAAAUCIJE-GQCTYLIASA-N 1 0 301.434 2.320 20 10 DECDRO C[C@H]([C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000835038378 649870021 /nfs/dbraw/zinc/87/00/21/649870021.db2.gz QICBKHAQRVBQOO-JOGGYFKDSA-N 1 0 317.477 2.465 20 10 DECDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265466778 519605875 /nfs/dbraw/zinc/60/58/75/519605875.db2.gz ZSZYJZXTISFSOM-INIZCTEOSA-N 1 0 320.433 2.240 20 10 DECDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000265466779 519606312 /nfs/dbraw/zinc/60/63/12/519606312.db2.gz ZSZYJZXTISFSOM-MRXNPFEDSA-N 1 0 320.433 2.240 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)CCOC)ccc1OC ZINC000265211726 520185303 /nfs/dbraw/zinc/18/53/03/520185303.db2.gz DQXBVKZLJCRSPO-KRWDZBQOSA-N 1 0 311.422 2.109 20 10 DECDRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181138028 520737255 /nfs/dbraw/zinc/73/72/55/520737255.db2.gz OOSLVYAHEHMFCE-PMGBHYCQSA-N 1 0 318.417 2.301 20 10 DECDRO CCN(CC)c1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1F ZINC000131415792 520908718 /nfs/dbraw/zinc/90/87/18/520908718.db2.gz GVOYZGJCFNGBJH-KRWDZBQOSA-N 1 0 311.445 2.074 20 10 DECDRO CCOc1cccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1O ZINC000188889117 521339685 /nfs/dbraw/zinc/33/96/85/521339685.db2.gz XLMBSXAUUOYGFH-CQSZACIVSA-N 1 0 322.449 2.068 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000182053144 522179282 /nfs/dbraw/zinc/17/92/82/522179282.db2.gz ACMPJUNSNXNZPD-UHFFFAOYSA-N 1 0 310.445 2.465 20 10 DECDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000157499720 522867059 /nfs/dbraw/zinc/86/70/59/522867059.db2.gz ZTXUJQQAFCNOTH-DZGCQCFKSA-N 1 0 307.390 2.355 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c(C)n1-c1ccccn1 ZINC000193568640 524150858 /nfs/dbraw/zinc/15/08/58/524150858.db2.gz PKXFSOAWZLVAGL-BBRMVZONSA-N 1 0 312.417 2.359 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]CC3CC3)CC2)cc1 ZINC000237270653 524422986 /nfs/dbraw/zinc/42/29/86/524422986.db2.gz BLOBJKZXMNLAKJ-UHFFFAOYSA-N 1 0 303.450 2.207 20 10 DECDRO O=C1N[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]2CO1 ZINC000374229553 534800734 /nfs/dbraw/zinc/80/07/34/534800734.db2.gz KJAXJTQTUDXWTL-CJNGLKHVSA-N 1 0 312.369 2.476 20 10 DECDRO COCCCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327486862 1148566267 /nfs/dbraw/zinc/56/62/67/1148566267.db2.gz OXOARMPGWVVCNW-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000189837778 525356583 /nfs/dbraw/zinc/35/65/83/525356583.db2.gz CTWJGINYKZNVDX-ZDUSSCGKSA-N 1 0 314.376 2.456 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000189278652 525421829 /nfs/dbraw/zinc/42/18/29/525421829.db2.gz BRIUSTXNFHHJRY-DZKIICNBSA-N 1 0 322.424 2.474 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000180633951 526157761 /nfs/dbraw/zinc/15/77/61/526157761.db2.gz UONZPZKGSWHVED-CYBMUJFWSA-N 1 0 300.196 2.420 20 10 DECDRO Cc1cc(C(=O)N(C)CC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000267144089 526219743 /nfs/dbraw/zinc/21/97/43/526219743.db2.gz UYSSFAHUPYONRV-UHFFFAOYSA-N 1 0 300.406 2.123 20 10 DECDRO O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179918049 527279029 /nfs/dbraw/zinc/27/90/29/527279029.db2.gz FEUFXVXSVPVFCV-UHFFFAOYSA-N 1 0 310.397 2.279 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@]12CCCO2 ZINC000378582557 527836715 /nfs/dbraw/zinc/83/67/15/527836715.db2.gz XLBHMPHQQGKIOU-KURKYZTESA-N 1 0 303.402 2.438 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]CC2CC2)cc1F ZINC000269266376 528300929 /nfs/dbraw/zinc/30/09/29/528300929.db2.gz PJMZLDXEAQXXNZ-UHFFFAOYSA-N 1 0 307.413 2.288 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000272510050 535757726 /nfs/dbraw/zinc/75/77/26/535757726.db2.gz XEUCFJSCGIWYNV-KRWDZBQOSA-N 1 0 323.412 2.000 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCC(C(N)=O)CC2)cc1 ZINC000835040397 649870249 /nfs/dbraw/zinc/87/02/49/649870249.db2.gz OXSGWLSEWALZNU-ARJAWSKDSA-N 1 0 301.434 2.400 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835042099 649870648 /nfs/dbraw/zinc/87/06/48/649870648.db2.gz GUSMCKMUWNTGBJ-SQRWCISFSA-N 1 0 316.449 2.159 20 10 DECDRO CCC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835043147 649870674 /nfs/dbraw/zinc/87/06/74/649870674.db2.gz NKYTZXTXUSLAKY-SQRWCISFSA-N 1 0 301.434 2.366 20 10 DECDRO COC[C@@]1(CO)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055514 649872670 /nfs/dbraw/zinc/87/26/70/649872670.db2.gz VKIVVQQVWZEFRT-WRFKIARRSA-N 1 0 304.434 2.097 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1F ZINC000835072727 649875256 /nfs/dbraw/zinc/87/52/56/649875256.db2.gz IPVQDMKQISBLFL-HIFRSBDPSA-N 1 0 305.397 2.135 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236681709 625323294 /nfs/dbraw/zinc/32/32/94/625323294.db2.gz KMGBZWVOBOPIKZ-MOPGFXCFSA-N 1 0 315.461 2.240 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1 ZINC000184103029 625327141 /nfs/dbraw/zinc/32/71/41/625327141.db2.gz ARTQLKAQRNFJSI-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306076736 623110165 /nfs/dbraw/zinc/11/01/65/623110165.db2.gz GNVZBSPXJRJEDF-CQSZACIVSA-N 1 0 311.223 2.340 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000804775663 623237162 /nfs/dbraw/zinc/23/71/62/623237162.db2.gz LFWQJVNSIOKRPP-OWNNVSBGSA-N 1 0 304.390 2.102 20 10 DECDRO CNC(=O)CC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000160339718 623587416 /nfs/dbraw/zinc/58/74/16/623587416.db2.gz PWXIKICGJYVJHR-UHFFFAOYSA-N 1 0 306.406 2.057 20 10 DECDRO CO[C@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247569 623791427 /nfs/dbraw/zinc/79/14/27/623791427.db2.gz IGJHHZZLCLAZTI-PBHICJAKSA-N 1 0 321.465 2.287 20 10 DECDRO CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC000891248354 623792505 /nfs/dbraw/zinc/79/25/05/623792505.db2.gz KYHJESYIYKCQKN-SJORKVTESA-N 1 0 321.465 2.143 20 10 DECDRO CC[C@](C)(OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248776 623794826 /nfs/dbraw/zinc/79/48/26/623794826.db2.gz NVGYMOOFHBYYSB-WMZOPIPTSA-N 1 0 321.465 2.287 20 10 DECDRO CCCCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252690 623798047 /nfs/dbraw/zinc/79/80/47/623798047.db2.gz MKXUPNRPHXBCSH-KRWDZBQOSA-N 1 0 321.465 2.288 20 10 DECDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000891251656 623798425 /nfs/dbraw/zinc/79/84/25/623798425.db2.gz DBQXUTGABYRTRX-OAHLLOKOSA-N 1 0 316.405 2.082 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891253097 623799164 /nfs/dbraw/zinc/79/91/64/623799164.db2.gz QLYSPUDUVVSWMT-SJORKVTESA-N 1 0 319.449 2.041 20 10 DECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000933288707 624146689 /nfs/dbraw/zinc/14/66/89/624146689.db2.gz JTUFLJASFZRGII-HNNXBMFYSA-N 1 0 322.380 2.128 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000176220462 624698783 /nfs/dbraw/zinc/69/87/83/624698783.db2.gz NYPZGVXQTBKMLJ-KBPBESRZSA-N 1 0 321.421 2.073 20 10 DECDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925502468 625100740 /nfs/dbraw/zinc/10/07/40/625100740.db2.gz LJKJCAHAXQLMMG-KRWDZBQOSA-N 1 0 321.440 2.017 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCCC(=O)N(C)C)CC2)cc1 ZINC000161846343 625205942 /nfs/dbraw/zinc/20/59/42/625205942.db2.gz BJXFWHUGKAAWOT-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](C)[NH3+])c2C)cc1 ZINC000194894617 625753155 /nfs/dbraw/zinc/75/31/55/625753155.db2.gz ZPVUTWYQSRXNKN-NSHDSACASA-N 1 0 301.390 2.180 20 10 DECDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001019845918 625841744 /nfs/dbraw/zinc/84/17/44/625841744.db2.gz IJUQZRXCRUZFPW-ZDUSSCGKSA-N 1 0 303.366 2.062 20 10 DECDRO CC(C)[NH2+]C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179834003 625868482 /nfs/dbraw/zinc/86/84/82/625868482.db2.gz QXWWCQNBLSWJGW-UHFFFAOYSA-N 1 0 317.477 2.486 20 10 DECDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893556500 634657025 /nfs/dbraw/zinc/65/70/25/634657025.db2.gz RJIDDXOWQYXKDG-MRXNPFEDSA-N 1 0 311.378 2.231 20 10 DECDRO Cc1nnc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000893571861 634777491 /nfs/dbraw/zinc/77/74/91/634777491.db2.gz CIMAYQFAHUOZIA-UHFFFAOYSA-N 1 0 306.435 2.423 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=S)NC1CC[NH+](C)CC1 ZINC000734383319 633368321 /nfs/dbraw/zinc/36/83/21/633368321.db2.gz CDDWUYUNDIEFEQ-UHFFFAOYSA-N 1 0 320.506 2.119 20 10 DECDRO Oc1cc2c(cc1CN1CC[NH+](C3CCCC3)CC1)OCO2 ZINC000026627377 633397472 /nfs/dbraw/zinc/39/74/72/633397472.db2.gz WUGIHGBPMJVWPG-UHFFFAOYSA-N 1 0 304.390 2.181 20 10 DECDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc(F)ccc1O ZINC000186185634 633892743 /nfs/dbraw/zinc/89/27/43/633892743.db2.gz XUGOPVKBMCNJBI-SNVBAGLBSA-N 1 0 301.383 2.007 20 10 DECDRO C[N@H+](CCCCNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000837224181 650176492 /nfs/dbraw/zinc/17/64/92/650176492.db2.gz BEZHVZQWXXEMGL-UITAMQMPSA-N 1 0 304.390 2.102 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000186466769 635185884 /nfs/dbraw/zinc/18/58/84/635185884.db2.gz FQDLFKOOXGTIRL-NWDGAFQWSA-N 1 0 308.378 2.282 20 10 DECDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921801223 635280333 /nfs/dbraw/zinc/28/03/33/635280333.db2.gz RFTULDWOLCAYAN-GUYCJALGSA-N 1 0 302.418 2.358 20 10 DECDRO Oc1cccc2c1[C@H](N[C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925796127 635365619 /nfs/dbraw/zinc/36/56/19/635365619.db2.gz KSPOMKKTLAEJSC-LSDHHAIUSA-N 1 0 302.418 2.128 20 10 DECDRO c1cc2c(cc1C[NH2+]C[C@@H]1COC3(CCOCC3)O1)CCCO2 ZINC000921974350 635779344 /nfs/dbraw/zinc/77/93/44/635779344.db2.gz OGGJXODATGUPQA-MRXNPFEDSA-N 1 0 319.401 2.023 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]c(=O)c3)C2)cc1 ZINC000922196981 635986271 /nfs/dbraw/zinc/98/62/71/635986271.db2.gz PSSMLSBOZSVKBK-OAHLLOKOSA-N 1 0 313.401 2.412 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@H]([C@@H](C)O)C2)cc1F ZINC000840976570 636005290 /nfs/dbraw/zinc/00/52/90/636005290.db2.gz DQCORGICZKLBTJ-DYVFJYSZSA-N 1 0 310.413 2.254 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1O ZINC000922525043 636218372 /nfs/dbraw/zinc/21/83/72/636218372.db2.gz ODNMRNZVDYYEGP-CABCVRRESA-N 1 0 322.474 2.460 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922723926 636355887 /nfs/dbraw/zinc/35/58/87/636355887.db2.gz QTLKEHYNULPJEW-SCTDSRPQSA-N 1 0 314.429 2.204 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480775 636818643 /nfs/dbraw/zinc/81/86/43/636818643.db2.gz ZOLLUTVZJFBVDS-RKDXNWHRSA-N 1 0 320.311 2.118 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922950473 636879809 /nfs/dbraw/zinc/87/98/09/636879809.db2.gz LUFNTXXUJUKULG-OAHLLOKOSA-N 1 0 310.825 2.389 20 10 DECDRO COc1ccc(N(C)CCN(C)c2cc[nH+]cc2CO)cc1 ZINC000894388478 636980248 /nfs/dbraw/zinc/98/02/48/636980248.db2.gz DRULXPDFXFENNN-UHFFFAOYSA-N 1 0 301.390 2.155 20 10 DECDRO COC(=O)c1c(CNC[C@@H](C)[NH+](C)C)c2cc(F)ccc2n1C ZINC000894391459 636988683 /nfs/dbraw/zinc/98/86/83/636988683.db2.gz IECKAZYTUIORDV-LLVKDONJSA-N 1 0 321.396 2.144 20 10 DECDRO COC(=O)c1c(C[NH2+]CCCCCO)c2cc(F)ccc2n1C ZINC000894598391 637127375 /nfs/dbraw/zinc/12/73/75/637127375.db2.gz VXRXUPWMJHPQCU-UHFFFAOYSA-N 1 0 322.380 2.356 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894940043 637340386 /nfs/dbraw/zinc/34/03/86/637340386.db2.gz QIMCKNVGKPWNOV-KRWDZBQOSA-N 1 0 323.389 2.185 20 10 DECDRO CN1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1=O ZINC000738267050 637409614 /nfs/dbraw/zinc/40/96/14/637409614.db2.gz MGTJCCLXZYVYOS-CYBMUJFWSA-N 1 0 306.406 2.058 20 10 DECDRO CC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C(=O)OC ZINC000895121460 637601780 /nfs/dbraw/zinc/60/17/80/637601780.db2.gz XJFAUFKIMDJSJB-VIFPVBQESA-N 1 0 316.195 2.444 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCc3cnn(C)c3)CC2)cc1 ZINC000740875189 637914346 /nfs/dbraw/zinc/91/43/46/637914346.db2.gz KKEUNKJWRRKQDA-UHFFFAOYSA-N 1 0 314.433 2.184 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000840912022 650377666 /nfs/dbraw/zinc/37/76/66/650377666.db2.gz XPEWPRWCKFXILT-QGZVFWFLSA-N 1 0 316.449 2.051 20 10 DECDRO O=C1N(CC[NH2+]Cc2cc(Cl)ccc2O)C[C@@H]2CCCCN12 ZINC000895344725 637950586 /nfs/dbraw/zinc/95/05/86/637950586.db2.gz WLMDRTSVUPRLKT-AWEZNQCLSA-N 1 0 323.824 2.425 20 10 DECDRO COc1ccc(C[NH2+]CC2SCCS2)c(O)c1OC ZINC000895447697 638028794 /nfs/dbraw/zinc/02/87/94/638028794.db2.gz HRBABFHHMRNUIA-UHFFFAOYSA-N 1 0 301.433 2.305 20 10 DECDRO Cc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000840939753 650390504 /nfs/dbraw/zinc/39/05/04/650390504.db2.gz PTUYARWWKPZYSM-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840931964 650387843 /nfs/dbraw/zinc/38/78/43/650387843.db2.gz ASPOVIKYDSMHQK-OAHLLOKOSA-N 1 0 305.422 2.381 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840963668 650395729 /nfs/dbraw/zinc/39/57/29/650395729.db2.gz DAEZWCGJZTWATM-UHFFFAOYSA-N 1 0 310.463 2.200 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000895753798 638181437 /nfs/dbraw/zinc/18/14/37/638181437.db2.gz VGAYHVQFDALPIL-OAHLLOKOSA-N 1 0 305.349 2.233 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1 ZINC000895818034 638214683 /nfs/dbraw/zinc/21/46/83/638214683.db2.gz AUMVWORYYLCXMZ-YLQAJVPDSA-N 1 0 307.390 2.217 20 10 DECDRO COc1ccc(CN2CCC(C)([NH+]3CCC3)CC2)c(O)c1OC ZINC000896026040 638315454 /nfs/dbraw/zinc/31/54/54/638315454.db2.gz XNOZNZYGFHNYDQ-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1NCCc3ccccc31)OCO2 ZINC000841069309 650422133 /nfs/dbraw/zinc/42/21/33/650422133.db2.gz SYGOCGPYAFYDCJ-HNNXBMFYSA-N 1 0 312.369 2.098 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000896164925 638389188 /nfs/dbraw/zinc/38/91/88/638389188.db2.gz UIZAEVURHSMNFF-BXUZGUMPSA-N 1 0 306.406 2.451 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN[C@@H]3C)CC2)cc1 ZINC000841063137 650418687 /nfs/dbraw/zinc/41/86/87/650418687.db2.gz ILTPUYXBORIGQY-KDOFPFPSSA-N 1 0 303.450 2.394 20 10 DECDRO CCOCc1cc(CNC[C@]2(COC)CCC[NH2+]2)ccc1OC ZINC000841066709 650421050 /nfs/dbraw/zinc/42/10/50/650421050.db2.gz FJVHRMHKDIRLKX-SFHVURJKSA-N 1 0 322.449 2.090 20 10 DECDRO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1=O ZINC000896733320 638655722 /nfs/dbraw/zinc/65/57/22/638655722.db2.gz JOYDWETXWWRWDN-GFCCVEGCSA-N 1 0 312.797 2.155 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000840717090 639278600 /nfs/dbraw/zinc/27/86/00/639278600.db2.gz QSMUPHYXCOPPSK-GPMSIDNRSA-N 1 0 317.477 2.451 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000754738358 639467055 /nfs/dbraw/zinc/46/70/55/639467055.db2.gz ZYFFEVBXBWYUJU-INIZCTEOSA-N 1 0 321.417 2.479 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000320780190 639625244 /nfs/dbraw/zinc/62/52/44/639625244.db2.gz GRFOJWMOELBZPR-KRWDZBQOSA-N 1 0 315.461 2.491 20 10 DECDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756355345 639653185 /nfs/dbraw/zinc/65/31/85/639653185.db2.gz MURVFYIIDSJTQY-BDAKNGLRSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756659274 639683513 /nfs/dbraw/zinc/68/35/13/639683513.db2.gz CFAMQQWZUPKJEL-YUMQZZPRSA-N 1 0 301.184 2.069 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)cc1 ZINC000839669665 639798146 /nfs/dbraw/zinc/79/81/46/639798146.db2.gz AABGAWMYKCYTDD-HNNXBMFYSA-N 1 0 322.474 2.481 20 10 DECDRO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(Br)cc1O ZINC000757653906 639865226 /nfs/dbraw/zinc/86/52/26/639865226.db2.gz BMKSFHQYLPXVHK-QMMMGPOBSA-N 1 0 311.183 2.134 20 10 DECDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841656146 650531229 /nfs/dbraw/zinc/53/12/29/650531229.db2.gz WTVHLQOOWDGNHS-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000841716630 650549631 /nfs/dbraw/zinc/54/96/31/650549631.db2.gz CDSICORMEVLGDL-WMLDXEAASA-N 1 0 318.465 2.330 20 10 DECDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709069 650546894 /nfs/dbraw/zinc/54/68/94/650546894.db2.gz AEJVWOYUINGOET-UHFFFAOYSA-N 1 0 318.465 2.413 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709364 650547083 /nfs/dbraw/zinc/54/70/83/650547083.db2.gz DUCNRTDPECITKK-ZBFHGGJFSA-N 1 0 316.449 2.166 20 10 DECDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841759516 650558487 /nfs/dbraw/zinc/55/84/87/650558487.db2.gz HCDWJAWMIHUCLV-CQSZACIVSA-N 1 0 322.428 2.033 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841757735 650557850 /nfs/dbraw/zinc/55/78/50/650557850.db2.gz ADTLWRTVUNCMIC-RVSPLBMKSA-N 1 0 308.397 2.226 20 10 DECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841755547 650557999 /nfs/dbraw/zinc/55/79/99/650557999.db2.gz IXDSBXGNACTRGD-GXSJLCMTSA-N 1 0 320.842 2.024 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC3(N(C)C)CC3)CC2)cc1 ZINC000841763910 650559326 /nfs/dbraw/zinc/55/93/26/650559326.db2.gz SIJBUZQIOLXODD-UHFFFAOYSA-N 1 0 303.450 2.348 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841823673 650571004 /nfs/dbraw/zinc/57/10/04/650571004.db2.gz GILWCWFFRMMCAR-KRWDZBQOSA-N 1 0 318.465 2.378 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@@H]1[NH3+] ZINC000841825249 650571692 /nfs/dbraw/zinc/57/16/92/650571692.db2.gz ZXQRABOCFNFRIA-PBHICJAKSA-N 1 0 318.465 2.330 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]1 ZINC000841831149 650574785 /nfs/dbraw/zinc/57/47/85/650574785.db2.gz CLJINHLANHHHAR-GDBMZVCRSA-N 1 0 314.433 2.003 20 10 DECDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000841832887 650574871 /nfs/dbraw/zinc/57/48/71/650574871.db2.gz WIVLTCNKMJYDCU-INIZCTEOSA-N 1 0 314.433 2.004 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1 ZINC000762555286 640438048 /nfs/dbraw/zinc/43/80/48/640438048.db2.gz DHIJMKGTNWVUBZ-LJQANCHMSA-N 1 0 319.493 2.469 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000762623410 640445151 /nfs/dbraw/zinc/44/51/51/640445151.db2.gz AVHRVTLMNQIKFA-MRVPVSSYSA-N 1 0 318.211 2.412 20 10 DECDRO COc1cccc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763621327 640556364 /nfs/dbraw/zinc/55/63/64/640556364.db2.gz CHNRDOPLDZOWPF-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO CN(CC[NH2+]C(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000841003718 640557164 /nfs/dbraw/zinc/55/71/64/640557164.db2.gz AVYJDENVKYVIPD-UHFFFAOYSA-N 1 0 305.466 2.343 20 10 DECDRO C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000841880461 650591028 /nfs/dbraw/zinc/59/10/28/650591028.db2.gz AEBHFFQIWPWWBA-ZDUSSCGKSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841882196 650592179 /nfs/dbraw/zinc/59/21/79/650592179.db2.gz XLJLPBHAFJBEOB-HEHGZKQESA-N 1 0 304.438 2.192 20 10 DECDRO O=C(NCCC[NH2+]C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000841918730 650602729 /nfs/dbraw/zinc/60/27/29/650602729.db2.gz VYBPEPHIVSNTQZ-UHFFFAOYSA-N 1 0 317.433 2.212 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000841919487 650602817 /nfs/dbraw/zinc/60/28/17/650602817.db2.gz ALKRPKZUDFVFBT-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO Nc1ccc(CCNC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000841917942 650602834 /nfs/dbraw/zinc/60/28/34/650602834.db2.gz XYEIZOYUERBTFT-UHFFFAOYSA-N 1 0 304.438 2.162 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000841954834 650611324 /nfs/dbraw/zinc/61/13/24/650611324.db2.gz WKUFSEKARXEMOO-NWDGAFQWSA-N 1 0 309.410 2.134 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@]2(CC(=O)OC)CCOC2)cc1 ZINC000766467401 640885262 /nfs/dbraw/zinc/88/52/62/640885262.db2.gz JBVMEJPRXMITIF-SFHVURJKSA-N 1 0 320.433 2.345 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841976781 650617868 /nfs/dbraw/zinc/61/78/68/650617868.db2.gz NYBDKPDKRCDGSA-WMLDXEAASA-N 1 0 318.465 2.282 20 10 DECDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000841980745 650618880 /nfs/dbraw/zinc/61/88/80/650618880.db2.gz FEZHYLQWXTZPCU-KGLIPLIRSA-N 1 0 317.433 2.340 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]1 ZINC000841984662 650619665 /nfs/dbraw/zinc/61/96/65/650619665.db2.gz CQXCOKBXDSHEBX-GXTWGEPZSA-N 1 0 317.433 2.211 20 10 DECDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc2nonc12 ZINC000897994414 640986971 /nfs/dbraw/zinc/98/69/71/640986971.db2.gz OTDXJMAWBAFWEK-UHFFFAOYSA-N 1 0 324.384 2.349 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc3nonc3c2)c(O)c1OC ZINC000897989704 640996905 /nfs/dbraw/zinc/99/69/05/640996905.db2.gz JCCCRACQCLTXHJ-UHFFFAOYSA-N 1 0 315.329 2.235 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000842003708 650625264 /nfs/dbraw/zinc/62/52/64/650625264.db2.gz JLKMNMGFERDDPZ-QWHCGFSZSA-N 1 0 321.421 2.293 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000842009006 650627349 /nfs/dbraw/zinc/62/73/49/650627349.db2.gz YWYBNXZWAXSYBT-UONOGXRCSA-N 1 0 306.454 2.410 20 10 DECDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000842009516 650627561 /nfs/dbraw/zinc/62/75/61/650627561.db2.gz BTMZVYQQIHNNSN-GXTWGEPZSA-N 1 0 317.433 2.198 20 10 DECDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)on1 ZINC000768440817 641080668 /nfs/dbraw/zinc/08/06/68/641080668.db2.gz ZFLBOBPQRJNMPJ-ZFWWWQNUSA-N 1 0 316.357 2.452 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(O)cc1C ZINC000768464515 641084549 /nfs/dbraw/zinc/08/45/49/641084549.db2.gz ASCPJWLLSSDIIO-ZDUSSCGKSA-N 1 0 301.390 2.432 20 10 DECDRO COCC1(O)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768465458 641085060 /nfs/dbraw/zinc/08/50/60/641085060.db2.gz NEYUDGIUMIYXQZ-UHFFFAOYSA-N 1 0 305.418 2.244 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768461865 641085117 /nfs/dbraw/zinc/08/51/17/641085117.db2.gz GQTSOKSVXDHWBT-OGHNNQOOSA-N 1 0 319.401 2.067 20 10 DECDRO CC[N@H+](Cc1ccccn1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464204 641085208 /nfs/dbraw/zinc/08/52/08/641085208.db2.gz OLWIOAHHXWQVNC-MRXNPFEDSA-N 1 0 300.358 2.235 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2ccc(OCC)cc2O)CC1 ZINC000769201507 641193533 /nfs/dbraw/zinc/19/35/33/641193533.db2.gz VRWNRYKETVHFKG-UHFFFAOYSA-N 1 0 322.405 2.455 20 10 DECDRO CC(C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989837482 641247008 /nfs/dbraw/zinc/24/70/08/641247008.db2.gz CXGYMBVZRVBEBS-BXUZGUMPSA-N 1 0 317.393 2.450 20 10 DECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(O)cccc1OC)CC2 ZINC000769478479 641247738 /nfs/dbraw/zinc/24/77/38/641247738.db2.gz DUYIHJAAISZNGE-DLBZAZTESA-N 1 0 321.417 2.153 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000769528274 641255710 /nfs/dbraw/zinc/25/57/10/641255710.db2.gz UCAHFPWGTITNRJ-AWEZNQCLSA-N 1 0 307.390 2.171 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000770303763 641354438 /nfs/dbraw/zinc/35/44/38/641354438.db2.gz IWTDFTCHXMFLAW-IRXDYDNUSA-N 1 0 307.390 2.171 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000770665583 641404330 /nfs/dbraw/zinc/40/43/30/641404330.db2.gz KIIOUBJXUPJOOM-UHFFFAOYSA-N 1 0 309.431 2.499 20 10 DECDRO CC[C@H](C)C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000771818946 641554805 /nfs/dbraw/zinc/55/48/05/641554805.db2.gz NYEVBKGWSVXQLR-INIZCTEOSA-N 1 0 305.466 2.453 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(F)ccc1O ZINC000927104222 641629604 /nfs/dbraw/zinc/62/96/04/641629604.db2.gz KFWRHTQTNRPPER-SWLSCSKDSA-N 1 0 308.397 2.435 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1OC ZINC000898389177 641644286 /nfs/dbraw/zinc/64/42/86/641644286.db2.gz XNHBTDHJHJFYTF-RHSMWYFYSA-N 1 0 315.369 2.157 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccnn2C)c2c1c(F)ccc2O ZINC000927137263 641708709 /nfs/dbraw/zinc/70/87/09/641708709.db2.gz VELPFTBTXTYOKN-UDZFHETQSA-N 1 0 305.353 2.136 20 10 DECDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773103667 641728890 /nfs/dbraw/zinc/72/88/90/641728890.db2.gz JSBPCMYCBJWXQB-BBRMVZONSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372413 641765925 /nfs/dbraw/zinc/76/59/25/641765925.db2.gz SPLYEYXNINERCT-UKRRQHHQSA-N 1 0 316.449 2.350 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904715 641978962 /nfs/dbraw/zinc/97/89/62/641978962.db2.gz JXDCNNSVCFCSSC-NWDGAFQWSA-N 1 0 323.393 2.224 20 10 DECDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000775136571 642010687 /nfs/dbraw/zinc/01/06/87/642010687.db2.gz LGPUCBZIQUQLER-ZDUSSCGKSA-N 1 0 320.414 2.021 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1 ZINC000775673560 642076543 /nfs/dbraw/zinc/07/65/43/642076543.db2.gz WSGQNYNUXPWMRN-GFCCVEGCSA-N 1 0 303.362 2.472 20 10 DECDRO C[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000775832998 642102903 /nfs/dbraw/zinc/10/29/03/642102903.db2.gz DWTDYNZAXQQEAU-ZIAGYGMSSA-N 1 0 310.463 2.228 20 10 DECDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000776000166 642121726 /nfs/dbraw/zinc/12/17/26/642121726.db2.gz LDTKMLULZIOVAU-QWHCGFSZSA-N 1 0 322.405 2.357 20 10 DECDRO COc1ccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1C ZINC000776520759 642180293 /nfs/dbraw/zinc/18/02/93/642180293.db2.gz QDXFQBNJIPETCF-KRWDZBQOSA-N 1 0 309.406 2.186 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000776865908 642214434 /nfs/dbraw/zinc/21/44/34/642214434.db2.gz AQRSXOOYIITHJT-BMGDILEWSA-N 1 0 322.449 2.224 20 10 DECDRO C[C@@H](CCO)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339210 642488618 /nfs/dbraw/zinc/48/86/18/642488618.db2.gz AINJLLTXNJXJMM-SWLSCSKDSA-N 1 0 312.841 2.371 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1)OCO2 ZINC000781150080 642719532 /nfs/dbraw/zinc/71/95/32/642719532.db2.gz BKCHYUHGIYWZTJ-SNVBAGLBSA-N 1 0 301.289 2.325 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCON)c1O ZINC000902426392 643034828 /nfs/dbraw/zinc/03/48/28/643034828.db2.gz SBEFKXONAKUJOX-VIFPVBQESA-N 1 0 303.200 2.394 20 10 DECDRO COc1cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c(O)cc1C ZINC000902514844 643061703 /nfs/dbraw/zinc/06/17/03/643061703.db2.gz RCLGGSPXZVKHHY-AWEZNQCLSA-N 1 0 320.389 2.030 20 10 DECDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000784624486 643158956 /nfs/dbraw/zinc/15/89/56/643158956.db2.gz CZJBROGVECYIDI-ZDUSSCGKSA-N 1 0 319.357 2.451 20 10 DECDRO CC1(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000785431990 643234731 /nfs/dbraw/zinc/23/47/31/643234731.db2.gz NLYMAOCIZCUOPQ-OAHLLOKOSA-N 1 0 301.434 2.278 20 10 DECDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903400761 643344652 /nfs/dbraw/zinc/34/46/52/643344652.db2.gz WJLIWBHACVDIEF-XEZPLFJOSA-N 1 0 308.397 2.348 20 10 DECDRO COc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903982891 643536908 /nfs/dbraw/zinc/53/69/08/643536908.db2.gz ZBZURFPXVAGEQU-GHMZBOCLSA-N 1 0 304.312 2.112 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCO1 ZINC000789777526 643774983 /nfs/dbraw/zinc/77/49/83/643774983.db2.gz WMMQCUSCIZVFDZ-CHWSQXEVSA-N 1 0 315.797 2.338 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCO1 ZINC000789777529 643775077 /nfs/dbraw/zinc/77/50/77/643775077.db2.gz WMMQCUSCIZVFDZ-STQMWFEESA-N 1 0 315.797 2.338 20 10 DECDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCC[C@H](C)C1 ZINC000790069195 643812665 /nfs/dbraw/zinc/81/26/65/643812665.db2.gz NMDWKVYRGOWGAZ-QWRGUYRKSA-N 1 0 310.369 2.087 20 10 DECDRO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Cl)ccc1O ZINC000790740004 643887842 /nfs/dbraw/zinc/88/78/42/643887842.db2.gz UYENZMQIQABTTL-LBPRGKRZSA-N 1 0 322.796 2.408 20 10 DECDRO C[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1nnnn1C1CC1 ZINC000790758131 643889168 /nfs/dbraw/zinc/88/91/68/643889168.db2.gz XGFGURMEDPOMSG-HTQZYQBOSA-N 1 0 309.320 2.404 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000790758794 643889965 /nfs/dbraw/zinc/88/99/65/643889965.db2.gz GDIYEPOHFOWAQN-LSDHHAIUSA-N 1 0 311.422 2.074 20 10 DECDRO Oc1ccc(Br)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843056345 650879165 /nfs/dbraw/zinc/87/91/65/650879165.db2.gz YLPSWGFBDRUKPJ-ZDUSSCGKSA-N 1 0 311.223 2.481 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccnn2C)cc1OC ZINC000905740460 644027000 /nfs/dbraw/zinc/02/70/00/644027000.db2.gz JNMXQWXGAQRSNO-CQSZACIVSA-N 1 0 317.389 2.480 20 10 DECDRO COc1cccc(CN(CC[NH3+])CCc2ccccc2)c1O ZINC000843123055 650900282 /nfs/dbraw/zinc/90/02/82/650900282.db2.gz YMOLIXCAXSAXNI-UHFFFAOYSA-N 1 0 300.402 2.404 20 10 DECDRO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000843124639 650900893 /nfs/dbraw/zinc/90/08/93/650900893.db2.gz DZNZKOBWPNDEIS-ZBFHGGJFSA-N 1 0 310.825 2.374 20 10 DECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2O)[C@@H]1C ZINC000793387275 644243841 /nfs/dbraw/zinc/24/38/41/644243841.db2.gz BQSMKGCTXBYOJM-TYNCELHUSA-N 1 0 307.390 2.468 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000794207097 644376797 /nfs/dbraw/zinc/37/67/97/644376797.db2.gz SSVNGMXLDLZBNF-ALCCZGGFSA-N 1 0 316.401 2.244 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907274999 644489056 /nfs/dbraw/zinc/48/90/56/644489056.db2.gz UKSQZOWWONMNPY-YUELXQCFSA-N 1 0 318.417 2.162 20 10 DECDRO CNC(=O)C[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000795599740 644604102 /nfs/dbraw/zinc/60/41/02/644604102.db2.gz BICULPODKSDRSB-HNNXBMFYSA-N 1 0 314.385 2.368 20 10 DECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795703384 644621927 /nfs/dbraw/zinc/62/19/27/644621927.db2.gz RTBHFJQVTROQJB-RDTXWAMCSA-N 1 0 316.445 2.176 20 10 DECDRO COc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)c(O)c1 ZINC000907926784 644691867 /nfs/dbraw/zinc/69/18/67/644691867.db2.gz PWMXLLWTAADSCZ-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnnn1-c1ccccc1 ZINC000843350243 650954966 /nfs/dbraw/zinc/95/49/66/650954966.db2.gz QPTXAOMLNLVYGZ-UHFFFAOYSA-N 1 0 320.400 2.074 20 10 DECDRO COC[C@@H](C)OC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459806 644867404 /nfs/dbraw/zinc/86/74/04/644867404.db2.gz LIMHONBWWFWYOW-CJNGLKHVSA-N 1 0 323.437 2.116 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843380120 650962785 /nfs/dbraw/zinc/96/27/85/650962785.db2.gz PIIWGZTVMOXCOT-QGZVFWFLSA-N 1 0 306.381 2.309 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1F ZINC000800291564 645251222 /nfs/dbraw/zinc/25/12/22/645251222.db2.gz CGOLVDQGUUIXHZ-GFCCVEGCSA-N 1 0 313.392 2.236 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843777013 651028343 /nfs/dbraw/zinc/02/83/43/651028343.db2.gz YQGCJHVMBQOZMV-RHSMWYFYSA-N 1 0 303.450 2.441 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CNc3ccccc32)cc1 ZINC000911668552 645770566 /nfs/dbraw/zinc/77/05/66/645770566.db2.gz ZNZYXGTXFMGMTG-IRXDYDNUSA-N 1 0 324.428 2.078 20 10 DECDRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840093981 645947634 /nfs/dbraw/zinc/94/76/34/645947634.db2.gz DPRUDTWIBCRIDR-CYBMUJFWSA-N 1 0 316.401 2.155 20 10 DECDRO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(N2CCOCC2)cc1 ZINC000808383842 646077154 /nfs/dbraw/zinc/07/71/54/646077154.db2.gz SLTCMNNVPQGCTE-AWEZNQCLSA-N 1 0 300.406 2.108 20 10 DECDRO CCN(C(=O)C1=CCC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000912496571 646081587 /nfs/dbraw/zinc/08/15/87/646081587.db2.gz ZMKUNIDKXYWALU-UHFFFAOYSA-N 1 0 304.390 2.367 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C)n1-c1ccccn1 ZINC000912923343 646214214 /nfs/dbraw/zinc/21/42/14/646214214.db2.gz WCHJMXAAXCIFRT-INIZCTEOSA-N 1 0 324.428 2.409 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1C ZINC000809618393 646248193 /nfs/dbraw/zinc/24/81/93/646248193.db2.gz HUQURMKGCUJPRA-UHFFFAOYSA-N 1 0 315.417 2.476 20 10 DECDRO CC[C@H]([NH2+]C[C@H](O)COC)c1ccc(C(F)(F)F)cc1O ZINC000810241012 646343331 /nfs/dbraw/zinc/34/33/31/646343331.db2.gz KVWDJLAYTSXMOA-JQWIXIFHSA-N 1 0 307.312 2.459 20 10 DECDRO Cc1cc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1N(C)C ZINC000815098447 646968547 /nfs/dbraw/zinc/96/85/47/646968547.db2.gz GRDVFVOTGATGAR-MRXNPFEDSA-N 1 0 319.493 2.338 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1F ZINC000817412255 647287752 /nfs/dbraw/zinc/28/77/52/647287752.db2.gz HDTXCYTUUCCOGZ-HNNXBMFYSA-N 1 0 307.413 2.382 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000817419335 647291627 /nfs/dbraw/zinc/29/16/27/647291627.db2.gz UDBNCMWEQYMIBZ-OAHLLOKOSA-N 1 0 314.437 2.014 20 10 DECDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817973225 647397914 /nfs/dbraw/zinc/39/79/14/647397914.db2.gz RBYAASRYGQLBBU-ZIAGYGMSSA-N 1 0 309.429 2.311 20 10 DECDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000817997805 647403251 /nfs/dbraw/zinc/40/32/51/647403251.db2.gz XRSUPOKSQZGQHO-LRDDRELGSA-N 1 0 302.418 2.275 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000818222227 647436025 /nfs/dbraw/zinc/43/60/25/647436025.db2.gz RNZMXZFNCLRJBQ-HNNXBMFYSA-N 1 0 302.418 2.458 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000818431498 647464805 /nfs/dbraw/zinc/46/48/05/647464805.db2.gz OLZRMHRUVIZHLR-SWLSCSKDSA-N 1 0 320.824 2.014 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678765 647501546 /nfs/dbraw/zinc/50/15/46/647501546.db2.gz PHGPUTDQHAHCHN-QGZVFWFLSA-N 1 0 315.373 2.484 20 10 DECDRO Oc1ccccc1C[N@H+](CCN1CCOCC1)C1CCCC1 ZINC000732205079 647549780 /nfs/dbraw/zinc/54/97/80/647549780.db2.gz ZZRPKARIYDTXRB-UHFFFAOYSA-N 1 0 304.434 2.469 20 10 DECDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039796 647570387 /nfs/dbraw/zinc/57/03/87/647570387.db2.gz SYOJDQBKXILTSK-UHFFFAOYSA-N 1 0 319.449 2.422 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377959 647647422 /nfs/dbraw/zinc/64/74/22/647647422.db2.gz XNKKVKPHGYCTCH-CQSZACIVSA-N 1 0 312.479 2.016 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCN2C(=O)CCC2=O)cc1 ZINC000917020670 647955893 /nfs/dbraw/zinc/95/58/93/647955893.db2.gz UQNOPGIVZVLPKG-UHFFFAOYSA-N 1 0 317.433 2.114 20 10 DECDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000917140386 647975861 /nfs/dbraw/zinc/97/58/61/647975861.db2.gz QTDRDXGICDLEFN-UHFFFAOYSA-N 1 0 316.380 2.051 20 10 DECDRO Cc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000824620607 648624836 /nfs/dbraw/zinc/62/48/36/648624836.db2.gz WBQZVBFOZFAGJB-GOEBONIOSA-N 1 0 310.397 2.482 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824810563 648655621 /nfs/dbraw/zinc/65/56/21/648655621.db2.gz KAKIFEKFUQWBSJ-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](CO)C(C)C ZINC000824844812 648660623 /nfs/dbraw/zinc/66/06/23/648660623.db2.gz CZRNLXGYQKZTMJ-SUMWQHHRSA-N 1 0 309.406 2.500 20 10 DECDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000825098646 648702952 /nfs/dbraw/zinc/70/29/52/648702952.db2.gz MAHHJBMHQBNOPR-KRWDZBQOSA-N 1 0 317.477 2.439 20 10 DECDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000825197589 648724094 /nfs/dbraw/zinc/72/40/94/648724094.db2.gz ZWMIFFFVJCOUOU-DGCLKSJQSA-N 1 0 316.195 2.048 20 10 DECDRO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(=O)NC ZINC000825315509 648740618 /nfs/dbraw/zinc/74/06/18/648740618.db2.gz CMXHXAGKJVLNLS-NSHDSACASA-N 1 0 315.211 2.077 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1Cl ZINC000825745032 648808222 /nfs/dbraw/zinc/80/82/22/648808222.db2.gz UDQRFVNWTRVVBT-UHFFFAOYSA-N 1 0 317.838 2.411 20 10 DECDRO C/C(=C\C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21)c1cnccn1 ZINC000825805632 648813323 /nfs/dbraw/zinc/81/33/23/648813323.db2.gz KYBJFVSJSDLCQQ-HFQYIWAZSA-N 1 0 322.412 2.399 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000826020320 648838756 /nfs/dbraw/zinc/83/87/56/648838756.db2.gz RCFGXIKPULAEFP-YOEHRIQHSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000826846675 648935930 /nfs/dbraw/zinc/93/59/30/648935930.db2.gz XHZPQPVAMOZLHE-CQSZACIVSA-N 1 0 323.400 2.106 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000827152355 648982718 /nfs/dbraw/zinc/98/27/18/648982718.db2.gz SLPCQBDDMKDFEA-MRXNPFEDSA-N 1 0 322.361 2.046 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cccnc3N)CC2)cc1 ZINC000827468209 649039598 /nfs/dbraw/zinc/03/95/98/649039598.db2.gz OBKPYZMATLBTLC-UHFFFAOYSA-N 1 0 312.417 2.385 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725229 649075472 /nfs/dbraw/zinc/07/54/72/649075472.db2.gz CLDPKZVOGOWDFI-KDOFPFPSSA-N 1 0 319.449 2.218 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)c1 ZINC000827740817 649079409 /nfs/dbraw/zinc/07/94/09/649079409.db2.gz HWNZXUNGLKMACE-UHFFFAOYSA-N 1 0 320.389 2.208 20 10 DECDRO CN1CCCc2cc(CNC(=O)c3cccc(C[NH3+])c3)ccc21 ZINC000827913683 649104652 /nfs/dbraw/zinc/10/46/52/649104652.db2.gz GUXONLVPZQJCCA-UHFFFAOYSA-N 1 0 309.413 2.458 20 10 DECDRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ccccc2O)cc(Cl)n1 ZINC000828015569 649121200 /nfs/dbraw/zinc/12/12/00/649121200.db2.gz JBKOHRALUZKJGG-CYBMUJFWSA-N 1 0 319.792 2.455 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353660 649169192 /nfs/dbraw/zinc/16/91/92/649169192.db2.gz VTJCEUMICSYBSG-AWEZNQCLSA-N 1 0 319.449 2.168 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC000828538097 649192302 /nfs/dbraw/zinc/19/23/02/649192302.db2.gz GINPYJPCSIYMKY-YOEHRIQHSA-N 1 0 304.434 2.257 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331268 649546376 /nfs/dbraw/zinc/54/63/76/649546376.db2.gz ITAJSZMFLIGQRY-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nc(Cl)cs2)cc1 ZINC000832283789 649692371 /nfs/dbraw/zinc/69/23/71/649692371.db2.gz CATLNWKEVVXGGQ-NSHDSACASA-N 1 0 324.837 2.292 20 10 DECDRO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)cn1 ZINC000834602024 649822360 /nfs/dbraw/zinc/82/23/60/649822360.db2.gz HMWDMOMTYMCKCB-GOEBONIOSA-N 1 0 312.417 2.372 20 10 DECDRO O=C(NCCC[NH+]1CCCC1)NCc1cc(Cl)ccc1O ZINC000844282739 651103816 /nfs/dbraw/zinc/10/38/16/651103816.db2.gz XOYDWDCWKFTJLM-UHFFFAOYSA-N 1 0 311.813 2.331 20 10 DECDRO COC(=O)/C(C)=C/C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401366 651123424 /nfs/dbraw/zinc/12/34/24/651123424.db2.gz MQESZRJEPCCLNK-GXDHUFHOSA-N 1 0 306.406 2.183 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(O)c(C(C)(C)C)c1 ZINC000844741949 651163116 /nfs/dbraw/zinc/16/31/16/651163116.db2.gz QMDKUVJZPAMOHQ-RGDDPNHNSA-N 1 0 323.458 2.404 20 10 DECDRO CCO[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)C[C@H]1C[NH3+] ZINC000844904567 651181257 /nfs/dbraw/zinc/18/12/57/651181257.db2.gz CRDXKELBTBEZGI-SJLPKXTDSA-N 1 0 305.466 2.328 20 10 DECDRO C[C@@H](O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000846016016 651301712 /nfs/dbraw/zinc/30/17/12/651301712.db2.gz FKERUEKJRATOLL-QGHHPUGFSA-N 1 0 319.332 2.472 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)ccc1OC ZINC000846092224 651307084 /nfs/dbraw/zinc/30/70/84/651307084.db2.gz AHGCUVJEBXIYIS-OAHLLOKOSA-N 1 0 320.433 2.190 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@]2(O)CCCOC2)cc1 ZINC000846106963 651307913 /nfs/dbraw/zinc/30/79/13/651307913.db2.gz MPNWSVOSSWEAPQ-LKIHTYOGSA-N 1 0 304.434 2.287 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000846206248 651315124 /nfs/dbraw/zinc/31/51/24/651315124.db2.gz OMQLMRUBXSGASG-UONOGXRCSA-N 1 0 301.434 2.414 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846209925 651315493 /nfs/dbraw/zinc/31/54/93/651315493.db2.gz IWOVVBZLKLQCQB-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846477158 651332734 /nfs/dbraw/zinc/33/27/34/651332734.db2.gz QDQVQLHXZSTWGX-UHFFFAOYSA-N 1 0 319.792 2.432 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846672586 651344655 /nfs/dbraw/zinc/34/46/55/651344655.db2.gz INJNBYOKPSGZCY-DLBZAZTESA-N 1 0 301.434 2.208 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672591 651344778 /nfs/dbraw/zinc/34/47/78/651344778.db2.gz INJNBYOKPSGZCY-SJORKVTESA-N 1 0 301.434 2.208 20 10 DECDRO CCN(C)C[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846804618 651353179 /nfs/dbraw/zinc/35/31/79/651353179.db2.gz NTAATSDWSJGPCO-KRWDZBQOSA-N 1 0 306.450 2.449 20 10 DECDRO O=C(NCc1ccccc1O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847303610 651387774 /nfs/dbraw/zinc/38/77/74/651387774.db2.gz XTCTUYUXWWNXOR-GJZGRUSLSA-N 1 0 303.406 2.208 20 10 DECDRO CCC(C)(C)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000848496329 651463857 /nfs/dbraw/zinc/46/38/57/651463857.db2.gz BUOKOSYPXPLTTC-MRXNPFEDSA-N 1 0 320.433 2.124 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848563923 651471595 /nfs/dbraw/zinc/47/15/95/651471595.db2.gz ZDWWEVMITMEDBZ-KFWWJZLASA-N 1 0 322.449 2.378 20 10 DECDRO Cc1cc(CC(=O)NOCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000854689221 651537103 /nfs/dbraw/zinc/53/71/03/651537103.db2.gz AVAXJDGMRFRWDJ-UHFFFAOYSA-N 1 0 315.417 2.246 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000848891521 651548322 /nfs/dbraw/zinc/54/83/22/651548322.db2.gz ZRJMUXBKYILZND-AWEZNQCLSA-N 1 0 300.406 2.458 20 10 DECDRO CCc1cccc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c1O ZINC000848917727 651561450 /nfs/dbraw/zinc/56/14/50/651561450.db2.gz KDEANHYZWNLUCO-CQSZACIVSA-N 1 0 309.431 2.293 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848929472 651565910 /nfs/dbraw/zinc/56/59/10/651565910.db2.gz FJFSDKWZBAIYKJ-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO Cc1cc(C(=O)N(C)CC2C[NH+](C)C2)c(C)n1-c1ccccn1 ZINC000855640130 651743417 /nfs/dbraw/zinc/74/34/17/651743417.db2.gz UGICBACUZGGCNQ-UHFFFAOYSA-N 1 0 312.417 2.123 20 10 DECDRO COc1cc(C[NH2+]C[C@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000850038283 651810213 /nfs/dbraw/zinc/81/02/13/651810213.db2.gz LZXFZRMXYHZDGN-AWEZNQCLSA-N 1 0 309.406 2.203 20 10 DECDRO COc1cc(C[NH2+][C@H]2CCCN(C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850172035 651850735 /nfs/dbraw/zinc/85/07/35/651850735.db2.gz WKGCGXQVUYTCSK-HNNXBMFYSA-N 1 0 320.433 2.409 20 10 DECDRO COc1cc(C[NH2+][C@@H](C)C(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850274979 651884199 /nfs/dbraw/zinc/88/41/99/651884199.db2.gz ORHLOJLKMFOMFD-NSHDSACASA-N 1 0 308.422 2.265 20 10 DECDRO COc1cc(C[NH2+][C@H]2COC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850325243 651898526 /nfs/dbraw/zinc/89/85/26/651898526.db2.gz YJEXFPCXJWPMET-LSDHHAIUSA-N 1 0 309.406 2.202 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)CS1(=O)=O ZINC000850369322 651913334 /nfs/dbraw/zinc/91/33/34/651913334.db2.gz VJGNGQCKCTUFSU-NXEZZACHSA-N 1 0 303.811 2.101 20 10 DECDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1O ZINC000850400243 651920895 /nfs/dbraw/zinc/92/08/95/651920895.db2.gz CIPJHZZHAXOLSH-GOSISDBHSA-N 1 0 323.433 2.448 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406325 651922929 /nfs/dbraw/zinc/92/29/29/651922929.db2.gz BJGCESWCINMLDT-HOCLYGCPSA-N 1 0 304.434 2.305 20 10 DECDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000850493369 651938862 /nfs/dbraw/zinc/93/88/62/651938862.db2.gz GLGSIZWEPSVGHZ-DOMZBBRYSA-N 1 0 309.406 2.493 20 10 DECDRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)ccc1O ZINC000850497947 651939704 /nfs/dbraw/zinc/93/97/04/651939704.db2.gz XHDAJWYSQCNHRP-ZPWHCFADSA-N 1 0 313.316 2.493 20 10 DECDRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)ccc1O ZINC000850497938 651939832 /nfs/dbraw/zinc/93/98/32/651939832.db2.gz XHDAJWYSQCNHRP-FFVOIRBGSA-N 1 0 313.316 2.493 20 10 DECDRO CCOC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000850568482 651954672 /nfs/dbraw/zinc/95/46/72/651954672.db2.gz YMGHLLTXCFZOFW-UHFFFAOYSA-N 1 0 304.434 2.305 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000114598336 651975670 /nfs/dbraw/zinc/97/56/70/651975670.db2.gz WWPBEWDBIQPSCN-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000857327365 652105817 /nfs/dbraw/zinc/10/58/17/652105817.db2.gz OCCIATLVXSCEEF-LLVKDONJSA-N 1 0 310.369 2.087 20 10 DECDRO CC(C)OC[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851637928 652195128 /nfs/dbraw/zinc/19/51/28/652195128.db2.gz ROAVGMJTVUNUPW-KRWDZBQOSA-N 1 0 321.465 2.242 20 10 DECDRO C[C@H](NC(=O)NCC1([NH3+])CCCC1)c1ccc(N(C)C)cc1 ZINC000851659725 652200795 /nfs/dbraw/zinc/20/07/95/652200795.db2.gz VLMGHBWIMBQPIB-ZDUSSCGKSA-N 1 0 304.438 2.384 20 10 DECDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000857931076 652208530 /nfs/dbraw/zinc/20/85/30/652208530.db2.gz UXLGOFBJLOCAAS-VMSUTVGLSA-N 1 0 322.412 2.399 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCC(=O)NC(C)(C)C)cc1F ZINC000858129474 652260606 /nfs/dbraw/zinc/26/06/06/652260606.db2.gz KNAVZKMHVBCMEQ-UHFFFAOYSA-N 1 0 313.392 2.425 20 10 DECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143693 652264914 /nfs/dbraw/zinc/26/49/14/652264914.db2.gz RTTMPWBCXUYWNF-OTYXRUKQSA-N 1 0 304.406 2.233 20 10 DECDRO COCC[C@H](COC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858165336 652269556 /nfs/dbraw/zinc/26/95/56/652269556.db2.gz FTASKJBRIMUAMR-GFCCVEGCSA-N 1 0 302.365 2.172 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2([S@@](C)=O)CC2)cc1F ZINC000858162040 652269738 /nfs/dbraw/zinc/26/97/38/652269738.db2.gz MGEIABNMPLLXRP-HXUWFJFHSA-N 1 0 302.390 2.032 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(C)ccc2O)C1 ZINC000858282203 652295691 /nfs/dbraw/zinc/29/56/91/652295691.db2.gz UJNYMHLHYKMMJM-CQSZACIVSA-N 1 0 305.422 2.232 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000852219969 652366139 /nfs/dbraw/zinc/36/61/39/652366139.db2.gz GHYMHNNCMOFRPD-RDJZCZTQSA-N 1 0 301.434 2.243 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000852466952 652405235 /nfs/dbraw/zinc/40/52/35/652405235.db2.gz YQQUJSFPGBAGAP-HNNXBMFYSA-N 1 0 318.465 2.425 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC000852720861 652444326 /nfs/dbraw/zinc/44/43/26/652444326.db2.gz XJNRWUDJHMPBAJ-UHFFFAOYSA-N 1 0 303.406 2.169 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC3CC2(C)C3)cc1 ZINC000852786000 652456560 /nfs/dbraw/zinc/45/65/60/652456560.db2.gz SKUIYKQVPCQJSA-UHFFFAOYSA-N 1 0 301.434 2.195 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000852883246 652474876 /nfs/dbraw/zinc/47/48/76/652474876.db2.gz VWDDXFNCFVLKEX-UHFFFAOYSA-N 1 0 316.405 2.207 20 10 DECDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000853736909 652595771 /nfs/dbraw/zinc/59/57/71/652595771.db2.gz SSVMNACZEVYXPT-ZDUSSCGKSA-N 1 0 321.421 2.073 20 10 DECDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001356596411 1152094171 /nfs/dbraw/zinc/09/41/71/1152094171.db2.gz NAOHILTWLIEDTN-RBSFLKMASA-N 1 0 318.465 2.434 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC000862254292 686266936 /nfs/dbraw/zinc/26/69/36/686266936.db2.gz XSHJEAKDURXVLW-NOZJJQNGSA-N 1 0 300.196 2.357 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000391379603 685445485 /nfs/dbraw/zinc/44/54/85/685445485.db2.gz OUQQGNQHFCSGKA-UHFFFAOYSA-N 1 0 309.413 2.328 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1 ZINC000858592342 685564874 /nfs/dbraw/zinc/56/48/74/685564874.db2.gz ZHXIOPWLIXOVBK-PKPZWWHKSA-N 1 0 319.361 2.273 20 10 DECDRO CCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000028064691 683874174 /nfs/dbraw/zinc/87/41/74/683874174.db2.gz YQXVGJBFVVJRSH-UHFFFAOYSA-N 1 0 319.449 2.124 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(OCCOC)CC2)c1O ZINC000093339474 684049301 /nfs/dbraw/zinc/04/93/01/684049301.db2.gz LLTQVTSPMTYRGQ-UHFFFAOYSA-N 1 0 309.406 2.418 20 10 DECDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000130975857 684194769 /nfs/dbraw/zinc/19/47/69/684194769.db2.gz AAQNXZLLFORWPR-HUTHGQBESA-N 1 0 320.252 2.354 20 10 DECDRO COc1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c(O)cc1C ZINC000160052268 684325234 /nfs/dbraw/zinc/32/52/34/684325234.db2.gz IDUZFPQCUFQQKH-UHFFFAOYSA-N 1 0 306.406 2.152 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000859922046 685853837 /nfs/dbraw/zinc/85/38/37/685853837.db2.gz QKMGSIKUECUEKP-SUMWQHHRSA-N 1 0 307.365 2.328 20 10 DECDRO OCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862216978 686257352 /nfs/dbraw/zinc/25/73/52/686257352.db2.gz VCRBBMIZLOOCLU-UHFFFAOYSA-N 1 0 300.196 2.359 20 10 DECDRO CN(C)c1cc(F)c(C[N@H+](C)C2(CO)CCOCC2)cc1F ZINC000862419032 686298025 /nfs/dbraw/zinc/29/80/25/686298025.db2.gz UYFPHAJYPKFJRL-UHFFFAOYSA-N 1 0 314.376 2.004 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1O ZINC000862525704 686313499 /nfs/dbraw/zinc/31/34/99/686313499.db2.gz GUVDZBGSARFQNP-PBHICJAKSA-N 1 0 300.358 2.421 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000863325031 686477628 /nfs/dbraw/zinc/47/76/28/686477628.db2.gz QPCJHXFYLXPDFI-AWEZNQCLSA-N 1 0 320.433 2.074 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2COCCN2)cc1 ZINC000863482971 686507988 /nfs/dbraw/zinc/50/79/88/686507988.db2.gz JNIPDCLMYMTQCM-KRWDZBQOSA-N 1 0 305.466 2.391 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](C)NC3)CC2)cc1 ZINC000863484006 686509147 /nfs/dbraw/zinc/50/91/47/686509147.db2.gz GIXHWPWLDGGLMA-HOCLYGCPSA-N 1 0 303.450 2.394 20 10 DECDRO C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000863544474 686518768 /nfs/dbraw/zinc/51/87/68/686518768.db2.gz VEXFSJJAFPAMDQ-JTQLQIEISA-N 1 0 306.328 2.298 20 10 DECDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863651696 686540836 /nfs/dbraw/zinc/54/08/36/686540836.db2.gz KZKCOYLPSZDOFK-CYBMUJFWSA-N 1 0 306.410 2.364 20 10 DECDRO CC1(C)CC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[NH2+]C1 ZINC000864059096 686608963 /nfs/dbraw/zinc/60/89/63/686608963.db2.gz XVAFICZUPKHABW-ZDUSSCGKSA-N 1 0 303.406 2.196 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000865432308 687209127 /nfs/dbraw/zinc/20/91/27/687209127.db2.gz VOSHRFFDKLUBCK-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)cc1 ZINC000865687694 687302384 /nfs/dbraw/zinc/30/23/84/687302384.db2.gz KSJMLLJUXPNRMT-HNNXBMFYSA-N 1 0 314.376 2.270 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865693945 687303805 /nfs/dbraw/zinc/30/38/05/687303805.db2.gz OULPNDSSIGMLPT-JAQSECSASA-N 1 0 314.429 2.036 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2[nH]nc3c2COCC3)c1 ZINC000930216634 694114147 /nfs/dbraw/zinc/11/41/47/694114147.db2.gz MKNXFTLFPROZGX-SNVBAGLBSA-N 1 0 303.362 2.047 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)on1 ZINC000866515565 687596449 /nfs/dbraw/zinc/59/64/49/687596449.db2.gz KHEASTKNYSSXMB-SNVBAGLBSA-N 1 0 320.345 2.416 20 10 DECDRO COC(=O)c1coc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000866659829 687643073 /nfs/dbraw/zinc/64/30/73/687643073.db2.gz VPMPXTIDIQYJPG-LLVKDONJSA-N 1 0 315.373 2.434 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1O ZINC000866716496 687663688 /nfs/dbraw/zinc/66/36/88/687663688.db2.gz PFXJPXDJCRWBND-WBMJQRKESA-N 1 0 306.381 2.308 20 10 DECDRO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C[NH+]1CCCC1 ZINC000868357817 687989406 /nfs/dbraw/zinc/98/94/06/687989406.db2.gz HKJLIGSTHQSUCS-KGLIPLIRSA-N 1 0 305.422 2.484 20 10 DECDRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868364795 687991816 /nfs/dbraw/zinc/99/18/16/687991816.db2.gz VMAPMYJXCQMMBM-ZDUSSCGKSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C)CC3)C2)cc1C ZINC001018882585 688246142 /nfs/dbraw/zinc/24/61/42/688246142.db2.gz BXMTURPZVVPHNV-HNNXBMFYSA-N 1 0 302.418 2.494 20 10 DECDRO O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc(N2CCCC2)cc1 ZINC000870865894 688671779 /nfs/dbraw/zinc/67/17/79/688671779.db2.gz MYNBDVHUBUCUKP-UHFFFAOYSA-N 1 0 313.445 2.435 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000872807621 689098426 /nfs/dbraw/zinc/09/84/26/689098426.db2.gz XAVWKJYTUODYMF-CALCHBBNSA-N 1 0 323.458 2.266 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873013242 689140675 /nfs/dbraw/zinc/14/06/75/689140675.db2.gz XTKGENVBRDNIBT-OAHLLOKOSA-N 1 0 301.390 2.066 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1C ZINC000873051054 689148438 /nfs/dbraw/zinc/14/84/38/689148438.db2.gz ARPMZMODATZJCB-KRWDZBQOSA-N 1 0 305.466 2.119 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873271748 689199330 /nfs/dbraw/zinc/19/93/30/689199330.db2.gz KKCBLBPZSRUWEQ-NWDGAFQWSA-N 1 0 306.406 2.218 20 10 DECDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825552 689500402 /nfs/dbraw/zinc/50/04/02/689500402.db2.gz PZVJXPLQDXNALI-KGLIPLIRSA-N 1 0 315.377 2.158 20 10 DECDRO c1cnn(C2CC([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000876963642 689984205 /nfs/dbraw/zinc/98/42/05/689984205.db2.gz HBBTUXFAPSGKIL-UHFFFAOYSA-N 1 0 312.417 2.213 20 10 DECDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876974299 689987314 /nfs/dbraw/zinc/98/73/14/689987314.db2.gz CDACURYUWUHSDD-ZWKOTPCHSA-N 1 0 304.434 2.305 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000877056771 690009539 /nfs/dbraw/zinc/00/95/39/690009539.db2.gz WPGSJQLKYQJRQB-QFBILLFUSA-N 1 0 318.461 2.288 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000877117101 690021650 /nfs/dbraw/zinc/02/16/50/690021650.db2.gz INVCPSNNEMGVGY-GFCCVEGCSA-N 1 0 316.323 2.344 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c(C)n1-c1ccccn1 ZINC000877293034 690068475 /nfs/dbraw/zinc/06/84/75/690068475.db2.gz XKLWKJLQDVPHJG-SHTZXODSSA-N 1 0 312.417 2.489 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCOC1 ZINC000877515767 690137815 /nfs/dbraw/zinc/13/78/15/690137815.db2.gz ORJYYURHODXTEA-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CC4(C3)CCCOC4)cc2)CC1 ZINC000877580254 690157491 /nfs/dbraw/zinc/15/74/91/690157491.db2.gz JCBUWOTZUOWGRJ-UHFFFAOYSA-N 1 0 316.445 2.260 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCCC3(O)CCC3)cc2)CC1 ZINC000877595623 690161859 /nfs/dbraw/zinc/16/18/59/690161859.db2.gz GIOXEWOMAUZTEX-UHFFFAOYSA-N 1 0 318.461 2.433 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(C)CO ZINC000877639750 690176060 /nfs/dbraw/zinc/17/60/60/690176060.db2.gz DVKKTDADMYWLRZ-KXBFYZLASA-N 1 0 318.461 2.098 20 10 DECDRO COc1ccc(N2CC[NH+](CC3=CCCOC3)CC2)c(OC)c1 ZINC000877708380 690198944 /nfs/dbraw/zinc/19/89/44/690198944.db2.gz KGAQKNVUUGVWHD-UHFFFAOYSA-N 1 0 318.417 2.173 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=O)OC)cc1C ZINC000877723149 690204649 /nfs/dbraw/zinc/20/46/49/690204649.db2.gz VXQYWMAVPFQFPC-RDJZCZTQSA-N 1 0 321.417 2.452 20 10 DECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C2 ZINC000877723648 690204714 /nfs/dbraw/zinc/20/47/14/690204714.db2.gz NKXGJBWCWPZFPG-PEBVRCNWSA-N 1 0 324.371 2.462 20 10 DECDRO Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1 ZINC000877807018 690236716 /nfs/dbraw/zinc/23/67/16/690236716.db2.gz NHEBXYZGINYHGL-LQDVMPOASA-N 1 0 309.431 2.146 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC000878728269 690487084 /nfs/dbraw/zinc/48/70/84/690487084.db2.gz LAHKXVYMOZPOPE-UONOGXRCSA-N 1 0 307.390 2.182 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)cc1 ZINC000879486290 690651933 /nfs/dbraw/zinc/65/19/33/690651933.db2.gz KWDCHMMQDJPSJD-QGZVFWFLSA-N 1 0 301.434 2.229 20 10 DECDRO CCN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1 ZINC000880312440 690867657 /nfs/dbraw/zinc/86/76/57/690867657.db2.gz NBVGGDBWAGHKKJ-CALCHBBNSA-N 1 0 301.434 2.053 20 10 DECDRO CC[C@@](C)([NH3+])c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999303 691010745 /nfs/dbraw/zinc/01/07/45/691010745.db2.gz JZVXIPLZQLOWBX-OAHLLOKOSA-N 1 0 322.796 2.472 20 10 DECDRO CC[C@@H]([NH3+])c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000881000015 691011168 /nfs/dbraw/zinc/01/11/68/691011168.db2.gz YGCDPUBOYICCHE-GFCCVEGCSA-N 1 0 308.769 2.298 20 10 DECDRO CN(C)c1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000881271020 691059916 /nfs/dbraw/zinc/05/99/16/691059916.db2.gz FIJXIYRSZOJNHQ-UHFFFAOYSA-N 1 0 313.449 2.421 20 10 DECDRO Cc1cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)ccc1N(C)C ZINC000881377897 691084894 /nfs/dbraw/zinc/08/48/94/691084894.db2.gz XNFNQGYZJPUFGY-HNNXBMFYSA-N 1 0 313.449 2.243 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CC(C)(C)C3)cc2)CC1 ZINC000881853613 691173932 /nfs/dbraw/zinc/17/39/32/691173932.db2.gz CIIVQBAKRCUCHR-UHFFFAOYSA-N 1 0 315.461 2.491 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883130116 691435705 /nfs/dbraw/zinc/43/57/05/691435705.db2.gz RGTITHIFOYXLII-SNVBAGLBSA-N 1 0 300.349 2.312 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2CC)cc1 ZINC000883157934 691443542 /nfs/dbraw/zinc/44/35/42/691443542.db2.gz OWLGSHJWUDSIDF-QGZVFWFLSA-N 1 0 318.465 2.426 20 10 DECDRO CC/C=C/CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883722654 691572666 /nfs/dbraw/zinc/57/26/66/691572666.db2.gz AUWVSNRYOCZWQY-SNAWJCMRSA-N 1 0 316.449 2.204 20 10 DECDRO Cc1cnc(F)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010951 691632570 /nfs/dbraw/zinc/63/25/70/691632570.db2.gz PDKFSBPFKCCPHA-OAHLLOKOSA-N 1 0 316.380 2.025 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(O)c1OC ZINC000894924660 692990405 /nfs/dbraw/zinc/99/04/05/692990405.db2.gz XSSUEQKLTAHARO-YGRLFVJLSA-N 1 0 317.332 2.048 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896385609 693001007 /nfs/dbraw/zinc/00/10/07/693001007.db2.gz HJOIRGGIODUEHC-SNVBAGLBSA-N 1 0 313.781 2.249 20 10 DECDRO CN(C)c1cc[nH+]c(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000924652683 693165545 /nfs/dbraw/zinc/16/55/45/693165545.db2.gz JFDLGAAZNWXOJH-UHFFFAOYSA-N 1 0 314.389 2.195 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)CO ZINC000924759898 693181907 /nfs/dbraw/zinc/18/19/07/693181907.db2.gz NWFRORKIRIFBMB-ZDUSSCGKSA-N 1 0 324.440 2.283 20 10 DECDRO CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000925757177 693336936 /nfs/dbraw/zinc/33/69/36/693336936.db2.gz DSQIKVPREOTPDK-LBPRGKRZSA-N 1 0 306.406 2.443 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000927136701 693559562 /nfs/dbraw/zinc/55/95/62/693559562.db2.gz RVSVVVBEWSMSDG-SGTLLEGYSA-N 1 0 315.417 2.389 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)c1ccnn1C ZINC001332440164 1149860482 /nfs/dbraw/zinc/86/04/82/1149860482.db2.gz HJFVUIPKXUTKQO-JMSVASOKSA-N 1 0 301.390 2.306 20 10 DECDRO COc1ccc(C[NH2+]CC2(CO)CCCCC2)c(O)c1OC ZINC001333697163 1150080531 /nfs/dbraw/zinc/08/05/31/1150080531.db2.gz GFKWWIJJYMNJSU-UHFFFAOYSA-N 1 0 309.406 2.442 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001331931706 1149782386 /nfs/dbraw/zinc/78/23/86/1149782386.db2.gz ANAKFXSUXMLPLY-FDYHWXHSSA-N 1 0 309.431 2.414 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727364 782315124 /nfs/dbraw/zinc/31/51/24/782315124.db2.gz MIXWLWFKXPUIAZ-CYBMUJFWSA-N 1 0 305.296 2.495 20 10 DECDRO O=C1NCCC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001333386543 1150043434 /nfs/dbraw/zinc/04/34/34/1150043434.db2.gz PJLDJYFGJDADSJ-UHFFFAOYSA-N 1 0 313.445 2.389 20 10 DECDRO CCOc1ccc(N2CC[NH+](C[C@](C)(O)C(F)F)CC2)cc1 ZINC001333466904 1150054348 /nfs/dbraw/zinc/05/43/48/1150054348.db2.gz OFNBWJVHXXGCAN-INIZCTEOSA-N 1 0 314.376 2.223 20 10 DECDRO CCOc1ccc(N2CC[NH+](C[C@@](C)(O)C(F)F)CC2)cc1 ZINC001333466907 1150054489 /nfs/dbraw/zinc/05/44/89/1150054489.db2.gz OFNBWJVHXXGCAN-MRXNPFEDSA-N 1 0 314.376 2.223 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cn4ccnc4cn3)cc2)CC1 ZINC001167434863 777034530 /nfs/dbraw/zinc/03/45/30/777034530.db2.gz WVTSIGBFEQIBDI-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO Oc1cc(O)c(CCNc2ccc([C@H]3CCC[NH2+]3)cn2)cc1O ZINC001168009279 779294857 /nfs/dbraw/zinc/29/48/57/779294857.db2.gz FZUJUEPNRMEGRV-CYBMUJFWSA-N 1 0 315.373 2.278 20 10 DECDRO COc1ccc2c(c1)C[C@H]([NH2+]CC(=O)c1ccc(O)c(O)c1)C2 ZINC001168242450 780489272 /nfs/dbraw/zinc/48/92/72/780489272.db2.gz ZNPMDKMEBMCICB-CQSZACIVSA-N 1 0 313.353 2.046 20 10 DECDRO Oc1cc(F)c(F)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001142502559 780777753 /nfs/dbraw/zinc/77/77/53/780777753.db2.gz SMVWGTRQFNFUST-UHFFFAOYSA-N 1 0 305.328 2.388 20 10 DECDRO [O-]c1cc(F)c(Br)cc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001144308643 790855815 /nfs/dbraw/zinc/85/58/15/790855815.db2.gz RYCKDYOIRMIHJB-SNVBAGLBSA-N 1 0 315.186 2.184 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(O)c1 ZINC001144515430 790941871 /nfs/dbraw/zinc/94/18/71/790941871.db2.gz OMHMXEWDYOGXHW-UHFFFAOYSA-N 1 0 317.341 2.163 20 10 DECDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515990 790944183 /nfs/dbraw/zinc/94/41/83/790944183.db2.gz MALSGPDFJGMSRJ-ZDUSSCGKSA-N 1 0 316.357 2.160 20 10 DECDRO Oc1ccc(CNc2cc(O[C@H]3CCOC3)cc[nH+]2)cc1O ZINC001169996640 785836190 /nfs/dbraw/zinc/83/61/90/785836190.db2.gz DQDDJBSKRCGNEB-ZDUSSCGKSA-N 1 0 302.330 2.273 20 10 DECDRO C[S@](=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691489133 786085532 /nfs/dbraw/zinc/08/55/32/786085532.db2.gz PWOULOQTLWBJPQ-KRWDZBQOSA-N 1 0 318.236 2.155 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C2(C3CC3)CC2)cc1C ZINC001130029572 787276674 /nfs/dbraw/zinc/27/66/74/787276674.db2.gz XYDBIKZNRCODDN-UHFFFAOYSA-N 1 0 302.418 2.400 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3c(C)n[nH]c3C)CC2)cc1 ZINC001139094308 787583321 /nfs/dbraw/zinc/58/33/21/787583321.db2.gz DHHKFPYXQZCGBC-UHFFFAOYSA-N 1 0 300.406 2.357 20 10 DECDRO COCCC(C)(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001146231581 791249331 /nfs/dbraw/zinc/24/93/31/791249331.db2.gz SNVQGDQDJOHAEK-UHFFFAOYSA-N 1 0 322.449 2.272 20 10 DECDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333865253 1150106897 /nfs/dbraw/zinc/10/68/97/1150106897.db2.gz SNWBPXPLLVCHCV-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001175362223 794190170 /nfs/dbraw/zinc/19/01/70/794190170.db2.gz SJFLQWPOCSASTI-INIZCTEOSA-N 1 0 318.465 2.345 20 10 DECDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117137717 795027706 /nfs/dbraw/zinc/02/77/06/795027706.db2.gz MPVMLAIDJBXFDS-CZUORRHYSA-N 1 0 323.481 2.419 20 10 DECDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001118326897 795177814 /nfs/dbraw/zinc/17/78/14/795177814.db2.gz YYRJJLXWMQUOAS-OAHLLOKOSA-N 1 0 311.433 2.062 20 10 DECDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3O)CC2)C1 ZINC001180262568 795267588 /nfs/dbraw/zinc/26/75/88/795267588.db2.gz ZLSHVAYXMQFTPH-INIZCTEOSA-N 1 0 323.868 2.257 20 10 DECDRO CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001119471325 795307211 /nfs/dbraw/zinc/30/72/11/795307211.db2.gz HFHAIGRVDFMKFK-KRWDZBQOSA-N 1 0 316.449 2.180 20 10 DECDRO CCOC(=O)[C@H](C)N(Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC001120040534 795396497 /nfs/dbraw/zinc/39/64/97/795396497.db2.gz ZPAKQAHVKQBQGT-NSHDSACASA-N 1 0 323.389 2.325 20 10 DECDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001206445080 795438684 /nfs/dbraw/zinc/43/86/84/795438684.db2.gz MYOBMLFTAAHGKF-NXEZZACHSA-N 1 0 321.165 2.165 20 10 DECDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206445132 795441216 /nfs/dbraw/zinc/44/12/16/795441216.db2.gz NHQJKQLFEONXHR-BDAKNGLRSA-N 1 0 308.275 2.162 20 10 DECDRO C[C@H](NC(=O)NC1CC2(CC([NH3+])C2)C1)c1ccc(N(C)C)cc1 ZINC001120660996 795508719 /nfs/dbraw/zinc/50/87/19/795508719.db2.gz XVDLWUKRHKGCLX-VOZVFBJVSA-N 1 0 316.449 2.383 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c(O)c1 ZINC001120731051 795520451 /nfs/dbraw/zinc/52/04/51/795520451.db2.gz RWDIUVLHGJEYQW-HNNXBMFYSA-N 1 0 306.406 2.137 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c(O)c1 ZINC001120731052 795520918 /nfs/dbraw/zinc/52/09/18/795520918.db2.gz RWDIUVLHGJEYQW-OAHLLOKOSA-N 1 0 306.406 2.137 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181994127 795577572 /nfs/dbraw/zinc/57/75/72/795577572.db2.gz HCZMGJWKKVQULB-HNNXBMFYSA-N 1 0 318.417 2.247 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\c2nccs2)cc1 ZINC001121712198 795677263 /nfs/dbraw/zinc/67/72/63/795677263.db2.gz IIJZCQOZGPAJKD-DANTVBBOSA-N 1 0 316.430 2.039 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]CC23CCCC3)cc1 ZINC001121905906 795702062 /nfs/dbraw/zinc/70/20/62/795702062.db2.gz NDKYUAXNQNAMCX-INIZCTEOSA-N 1 0 301.434 2.243 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc(O)c1O ZINC001204345392 795704452 /nfs/dbraw/zinc/70/44/52/795704452.db2.gz QHQJSTDAOLPTKQ-CYBMUJFWSA-N 1 0 300.358 2.491 20 10 DECDRO COc1ccc(CNC(=O)[C@H]([NH3+])C2CCCCCC2)c(O)c1 ZINC001121986169 795712136 /nfs/dbraw/zinc/71/21/36/795712136.db2.gz YTSNXEOTKVSXSS-MRXNPFEDSA-N 1 0 306.406 2.315 20 10 DECDRO C[C@H](N)c1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC001121997702 795714978 /nfs/dbraw/zinc/71/49/78/795714978.db2.gz YOZSMLGUNMSCCC-VIFPVBQESA-N 1 0 322.409 2.298 20 10 DECDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 ZINC001122334554 795748464 /nfs/dbraw/zinc/74/84/64/795748464.db2.gz CGZHFLSZRGMUBP-GEXIGZQTSA-N 1 0 308.385 2.044 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1 ZINC001182872126 795770912 /nfs/dbraw/zinc/77/09/12/795770912.db2.gz BEGMGKKYBXNXEJ-BRZCCTTDSA-N 1 0 311.447 2.489 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccnc(F)c2)cc1C ZINC001124532719 796073907 /nfs/dbraw/zinc/07/39/07/796073907.db2.gz OHCUEFJQDJRKRJ-UHFFFAOYSA-N 1 0 317.364 2.057 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccncc2F)cc1C ZINC001125180610 796105387 /nfs/dbraw/zinc/10/53/87/796105387.db2.gz JPTJDJVBBAEDQH-UHFFFAOYSA-N 1 0 317.364 2.057 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 ZINC001138153108 796172374 /nfs/dbraw/zinc/17/23/74/796172374.db2.gz XXRPTKFAIOYZJR-HIFRSBDPSA-N 1 0 320.433 2.265 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@@H](O)[C@H](F)C2)c(OC)c1 ZINC001138386836 796209014 /nfs/dbraw/zinc/20/90/14/796209014.db2.gz XTLFHWJTBVWKQW-HZPDHXFCSA-N 1 0 310.413 2.446 20 10 DECDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO ZINC001138496458 796227088 /nfs/dbraw/zinc/22/70/88/796227088.db2.gz PYSMESXXGSRMCV-MAUKXSAKSA-N 1 0 304.434 2.116 20 10 DECDRO CC[N@H+](CCn1cccn1)Cc1ccc(N2CCOCC2)cc1 ZINC001138498842 796227575 /nfs/dbraw/zinc/22/75/75/796227575.db2.gz IBFKAXCLUWDDHK-UHFFFAOYSA-N 1 0 314.433 2.242 20 10 DECDRO COc1cc(CN2Cc3ccncc3C2)cc(C[NH+](C)C)c1O ZINC001139257116 796349685 /nfs/dbraw/zinc/34/96/85/796349685.db2.gz RTTFYUVFCXCVTL-UHFFFAOYSA-N 1 0 313.401 2.373 20 10 DECDRO C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC001139404739 796371454 /nfs/dbraw/zinc/37/14/54/796371454.db2.gz YIEFJCMPCCJMIN-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC001140184530 796487539 /nfs/dbraw/zinc/48/75/39/796487539.db2.gz YIGVWKSZSVZZHY-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCCO4)C3)cc2)CC1 ZINC001140282483 796501533 /nfs/dbraw/zinc/50/15/33/796501533.db2.gz AJVKCZUIBDIBND-LJQANCHMSA-N 1 0 316.445 2.403 20 10 DECDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285844 796501637 /nfs/dbraw/zinc/50/16/37/796501637.db2.gz SBSWQBMTHTZUNV-SFHVURJKSA-N 1 0 317.477 2.174 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccncn1 ZINC001140288567 796502680 /nfs/dbraw/zinc/50/26/80/796502680.db2.gz QBERWINELCNCEX-UHFFFAOYSA-N 1 0 312.417 2.070 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCOC[C@H]3C)cc2)CC1 ZINC001140302353 796503319 /nfs/dbraw/zinc/50/33/19/796503319.db2.gz PDEQBAMXRVONIQ-MRXNPFEDSA-N 1 0 303.450 2.049 20 10 DECDRO Oc1cccc(Cl)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001140342333 796509507 /nfs/dbraw/zinc/50/95/07/796509507.db2.gz DUJHNHXJZAJINK-CYBMUJFWSA-N 1 0 310.825 2.342 20 10 DECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c1 ZINC001140624090 796546379 /nfs/dbraw/zinc/54/63/79/796546379.db2.gz FSTZEERYSNOHKN-HNNXBMFYSA-N 1 0 305.422 2.373 20 10 DECDRO CCN1CC[C@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001140748506 796567495 /nfs/dbraw/zinc/56/74/95/796567495.db2.gz MAZHMRXECOFMJT-SFHVURJKSA-N 1 0 318.417 2.241 20 10 DECDRO COc1cccnc1N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140958159 796607824 /nfs/dbraw/zinc/60/78/24/796607824.db2.gz SUORIGKQTSPEGC-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC001141028381 796619936 /nfs/dbraw/zinc/61/99/36/796619936.db2.gz MQGGDUBCWXQSCQ-CYBMUJFWSA-N 1 0 306.406 2.080 20 10 DECDRO CCC[N@H+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3OC)C[C@H]2C1 ZINC001141030933 796620950 /nfs/dbraw/zinc/62/09/50/796620950.db2.gz RFHZNWBQWKBRSB-OKILXGFUSA-N 1 0 320.433 2.183 20 10 DECDRO CN1CCOc2cc(C[N@H+](C)[C@@H]3CCC4(C3)OCCO4)ccc21 ZINC001141145394 796639950 /nfs/dbraw/zinc/63/99/50/796639950.db2.gz BMEWBMFXCKXFOE-OAHLLOKOSA-N 1 0 318.417 2.243 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC001141158848 796641761 /nfs/dbraw/zinc/64/17/61/796641761.db2.gz PAIKSHSJUHJGIV-SJLPKXTDSA-N 1 0 319.401 2.258 20 10 DECDRO CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001188251715 796649675 /nfs/dbraw/zinc/64/96/75/796649675.db2.gz NWFYRIXYEQOPTM-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO CCCCOC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001193714051 797617893 /nfs/dbraw/zinc/61/78/93/797617893.db2.gz IWNUNMAVDFDTPU-UHFFFAOYSA-N 1 0 305.422 2.465 20 10 DECDRO CCN(CC)c1ccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)cc1 ZINC001203942876 798552665 /nfs/dbraw/zinc/55/26/65/798552665.db2.gz WNTLXSFRNXMVHU-GOSISDBHSA-N 1 0 317.477 2.438 20 10 DECDRO Cc1cc(C)c(CNc2ccc(N3CC[NH2+]CC3)cn2)c(O)c1 ZINC001160810087 798744706 /nfs/dbraw/zinc/74/47/06/798744706.db2.gz IVCFVUYPLFKLBO-UHFFFAOYSA-N 1 0 312.417 2.426 20 10 DECDRO [NH3+]CCN(CCO)c1ccc(OCc2ccccc2F)cc1 ZINC001163837095 799443156 /nfs/dbraw/zinc/44/31/56/799443156.db2.gz PSEUKCBSFRUPBF-UHFFFAOYSA-N 1 0 304.365 2.162 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C2(CF)CC2)cc1C ZINC001166361576 799862463 /nfs/dbraw/zinc/86/24/63/799862463.db2.gz GQBGPANQLJVXQF-UHFFFAOYSA-N 1 0 308.397 2.349 20 10 DECDRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@H]2C1 ZINC001203552920 800077927 /nfs/dbraw/zinc/07/79/27/800077927.db2.gz VKMWMRSSICYDHF-GJZGRUSLSA-N 1 0 312.369 2.189 20 10 DECDRO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccccc1O)C2 ZINC001203551679 800079864 /nfs/dbraw/zinc/07/98/64/800079864.db2.gz KJNVREDZZLEEKP-HNNXBMFYSA-N 1 0 301.390 2.354 20 10 DECDRO CCOc1cccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1O ZINC001203617363 800091480 /nfs/dbraw/zinc/09/14/80/800091480.db2.gz OTLKGEFQCVEQFM-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645882 800099400 /nfs/dbraw/zinc/09/94/00/800099400.db2.gz VGEHDNXMWAWENO-BXKDBHETSA-N 1 0 300.196 2.500 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001203673338 800103828 /nfs/dbraw/zinc/10/38/28/800103828.db2.gz VQERMTWHDSWHSH-OAHLLOKOSA-N 1 0 318.417 2.091 20 10 DECDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673317 800103873 /nfs/dbraw/zinc/10/38/73/800103873.db2.gz UYRIQLGUNCQMHY-ROUUACIJSA-N 1 0 321.417 2.418 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1O ZINC001203878601 800138405 /nfs/dbraw/zinc/13/84/05/800138405.db2.gz HSKJNHNQRFVXAK-MAUKXSAKSA-N 1 0 319.401 2.258 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cc1 ZINC001203930621 800147800 /nfs/dbraw/zinc/14/78/00/800147800.db2.gz AYZZZLLHVXTUJD-WMZOPIPTSA-N 1 0 313.445 2.053 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(C(N)=O)CC2)c2ccccc21 ZINC001204242856 800193567 /nfs/dbraw/zinc/19/35/67/800193567.db2.gz SSRKUVYCOODYFK-UHFFFAOYSA-N 1 0 312.417 2.102 20 10 DECDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204273702 800198074 /nfs/dbraw/zinc/19/80/74/800198074.db2.gz FWWOBMIDRDKMKO-GOSISDBHSA-N 1 0 318.417 2.465 20 10 DECDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274100 800198372 /nfs/dbraw/zinc/19/83/72/800198372.db2.gz IKSDCEYMZGNLDV-GOSISDBHSA-N 1 0 310.353 2.194 20 10 DECDRO CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001204274977 800198582 /nfs/dbraw/zinc/19/85/82/800198582.db2.gz WFVGDUGFITVXID-LJQANCHMSA-N 1 0 324.380 2.218 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001204280684 800200591 /nfs/dbraw/zinc/20/05/91/800200591.db2.gz MJZZETHKWYXITR-RISCZKNCSA-N 1 0 322.405 2.443 20 10 DECDRO O[C@@H]1COC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204325696 800205145 /nfs/dbraw/zinc/20/51/45/800205145.db2.gz UCVBCWJTGVMKFZ-SFHVURJKSA-N 1 0 316.445 2.403 20 10 DECDRO CN(C)c1ccc(CN2CCCC[C@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205681309 800401335 /nfs/dbraw/zinc/40/13/35/800401335.db2.gz HYQSQWZKYPLJIE-INIZCTEOSA-N 1 0 311.857 2.082 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3C[C@H]([NH3+])C[C@H](F)C3)ccc2O1 ZINC001206457970 800536832 /nfs/dbraw/zinc/53/68/32/800536832.db2.gz VYXODVQGLILUDQ-QWHCGFSZSA-N 1 0 306.381 2.448 20 10 DECDRO COC(=O)[C@@]1(C[NH2+]Cc2cc(C(C)C)ccc2O)CCOC1 ZINC001207855347 800849140 /nfs/dbraw/zinc/84/91/40/800849140.db2.gz WUEDFZSHIDSZHU-QGZVFWFLSA-N 1 0 307.390 2.185 20 10 DECDRO CC[N@H+](C)[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001207866550 800853259 /nfs/dbraw/zinc/85/32/59/800853259.db2.gz UMDMLAFXSKDQPO-SFHVURJKSA-N 1 0 317.477 2.174 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H](F)C2)c(OC)c1 ZINC001210579817 801425133 /nfs/dbraw/zinc/42/51/33/801425133.db2.gz AZBTUGIFYXECLP-HNNXBMFYSA-N 1 0 309.429 2.285 20 10 DECDRO C[C@]1(CO)C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1O ZINC001231587015 801690804 /nfs/dbraw/zinc/69/08/04/801690804.db2.gz POANRMMZOVRUTP-ZWKOTPCHSA-N 1 0 301.386 2.111 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231849572 801736714 /nfs/dbraw/zinc/73/67/14/801736714.db2.gz WJRRVRPEIPFFBX-AWEZNQCLSA-N 1 0 306.406 2.146 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001231858761 801738143 /nfs/dbraw/zinc/73/81/43/801738143.db2.gz ZHDWUORXMOGECO-UHFFFAOYSA-N 1 0 317.433 2.006 20 10 DECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854107 801738776 /nfs/dbraw/zinc/73/87/76/801738776.db2.gz ZEACAUVYDFKWRJ-AWEZNQCLSA-N 1 0 306.406 2.146 20 10 DECDRO CN(C1C[NH+](Cc2ccc3ccccc3c2O)C1)[C@@H]1CCOC1 ZINC001231880820 801743420 /nfs/dbraw/zinc/74/34/20/801743420.db2.gz LBQWYHBXOHBZDO-MRXNPFEDSA-N 1 0 312.413 2.450 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c2ccccc2n1C ZINC001232406103 801872693 /nfs/dbraw/zinc/87/26/93/801872693.db2.gz UPGFIMRHZXJMKV-CHWSQXEVSA-N 1 0 316.401 2.310 20 10 DECDRO COC(=O)c1c(CN(C)[C@@H]2CC[N@H+](C)C2)c2ccccc2n1C ZINC001232407136 801872901 /nfs/dbraw/zinc/87/29/01/801872901.db2.gz LCJVRQMDICMIBI-CYBMUJFWSA-N 1 0 315.417 2.101 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(O)c1 ZINC001232833595 801968157 /nfs/dbraw/zinc/96/81/57/801968157.db2.gz BDTHUUIMBMUIGN-UHFFFAOYSA-N 1 0 312.417 2.175 20 10 DECDRO CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451566 802120578 /nfs/dbraw/zinc/12/05/78/802120578.db2.gz PMXWZZLHCXVUIB-UHFFFAOYSA-N 1 0 316.323 2.465 20 10 DECDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484010 802127056 /nfs/dbraw/zinc/12/70/56/802127056.db2.gz UWKFVLAILGMNAG-DYVFJYSZSA-N 1 0 307.390 2.442 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cccc21 ZINC001218327912 802168960 /nfs/dbraw/zinc/16/89/60/802168960.db2.gz VCVJEMNZZVSJNL-RGYTYGDFSA-N 1 0 319.360 2.449 20 10 DECDRO O=C1c2cccc(O[C@@H]3C=CC[NH2+]C3)c2C(=O)c2cccc(O)c21 ZINC001218332063 802169044 /nfs/dbraw/zinc/16/90/44/802169044.db2.gz BPSNEWSNHMKRDE-LLVKDONJSA-N 1 0 321.332 2.074 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCN1C ZINC001233760070 802199674 /nfs/dbraw/zinc/19/96/74/802199674.db2.gz BBIOZGBNSREJEM-SNVBAGLBSA-N 1 0 304.312 2.427 20 10 DECDRO CC(=O)c1cc(O)c(O)cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001234476469 802389907 /nfs/dbraw/zinc/38/99/07/802389907.db2.gz MPIHNKGNBVZHIK-DPIQGUFMSA-N 1 0 305.374 2.410 20 10 DECDRO CN1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937568 803297386 /nfs/dbraw/zinc/29/73/86/803297386.db2.gz MKVZEEBKPBPBED-CYBMUJFWSA-N 1 0 313.353 2.412 20 10 DECDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335167020 1150380727 /nfs/dbraw/zinc/38/07/27/1150380727.db2.gz NDKSIYIVDJBZFN-AWEZNQCLSA-N 1 0 323.456 2.481 20 10 DECDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335727109 1150512242 /nfs/dbraw/zinc/51/22/42/1150512242.db2.gz ZFYHEOLOQUXBKS-QGZVFWFLSA-N 1 0 304.438 2.175 20 10 DECDRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335737666 1150515613 /nfs/dbraw/zinc/51/56/13/1150515613.db2.gz RHQKTWGPESHQKX-UHFFFAOYSA-N 1 0 304.438 2.142 20 10 DECDRO CN(C(=O)COc1ccc(CCC[NH3+])cc1)c1ccc(N)cc1 ZINC001522216114 1069325727 /nfs/dbraw/zinc/32/57/27/1069325727.db2.gz HLYNGEAHBRPHTI-UHFFFAOYSA-N 1 0 313.401 2.202 20 10 DECDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC001346739951 1151019546 /nfs/dbraw/zinc/01/95/46/1151019546.db2.gz VTNJFYDOQNFCLZ-UHFFFAOYSA-N 1 0 304.438 2.286 20 10 DECDRO C[N@@H+]1C[C@@]23CN(C(=O)Cc4ccc(N)cc4)C[C@]2(C1)CCCC3 ZINC001523972612 1069780595 /nfs/dbraw/zinc/78/05/95/1069780595.db2.gz UIFIRLLUHASGIN-KDURUIRLSA-N 1 0 313.445 2.146 20 10 DECDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001453496322 1057298491 /nfs/dbraw/zinc/29/84/91/1057298491.db2.gz WABSJFQCQVZRKX-LBPRGKRZSA-N 1 0 317.393 2.311 20 10 DECDRO COC(=O)C[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001462591092 1058856542 /nfs/dbraw/zinc/85/65/42/1058856542.db2.gz NZJGIAHNVQPSME-CHWSQXEVSA-N 1 0 307.390 2.340 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001463721083 1059013902 /nfs/dbraw/zinc/01/39/02/1059013902.db2.gz CIIFRZGWFHVNHV-NVXWUHKLSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC001472331241 1060476965 /nfs/dbraw/zinc/47/69/65/1060476965.db2.gz PQOGAGPUOONKIH-DZGCQCFKSA-N 1 0 318.417 2.433 20 10 DECDRO CC(C)[NH2+]CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568715426 1065070768 /nfs/dbraw/zinc/07/07/68/1065070768.db2.gz QSOFOCRJLSKKDU-LLVKDONJSA-N 1 0 305.382 2.355 20 10 DECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001621235005 1078171413 /nfs/dbraw/zinc/17/14/13/1078171413.db2.gz NBNIVGGVSOMBCT-WDEREUQCSA-N 1 0 311.378 2.087 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 ZINC001625125953 1078238950 /nfs/dbraw/zinc/23/89/50/1078238950.db2.gz XHXKWAHYOALTJJ-CYBMUJFWSA-N 1 0 320.414 2.121 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]CC2)cc1 ZINC001578425397 1067095931 /nfs/dbraw/zinc/09/59/31/1067095931.db2.gz BUDWRVFPEZLDBC-OAHLLOKOSA-N 1 0 318.465 2.332 20 10 DECDRO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)OCO2 ZINC001578448535 1067105777 /nfs/dbraw/zinc/10/57/77/1067105777.db2.gz SYEYPNIUTAGMLH-AWEZNQCLSA-N 1 0 304.390 2.010 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC001579589882 1067378468 /nfs/dbraw/zinc/37/84/68/1067378468.db2.gz PGGMHNIZYOBLEH-STQMWFEESA-N 1 0 313.401 2.372 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c1 ZINC001272638715 1079028545 /nfs/dbraw/zinc/02/85/45/1079028545.db2.gz SZYYYBUEMYEYAY-SFHVURJKSA-N 1 0 318.417 2.235 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c(O)c1 ZINC001329307403 1148883275 /nfs/dbraw/zinc/88/32/75/1148883275.db2.gz PUDHVPVCLHOGQF-LLVKDONJSA-N 1 0 315.373 2.120 20 10 DECDRO CN(Cc1cc(O)c(Br)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122184 1079087372 /nfs/dbraw/zinc/08/73/72/1079087372.db2.gz LZDVXLLIDOVWAG-JTQLQIEISA-N 1 0 315.211 2.044 20 10 DECDRO CC(C)C[NH+]1CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC001557085219 1075054861 /nfs/dbraw/zinc/05/48/61/1075054861.db2.gz FOOZBCLQCCYBQH-UHFFFAOYSA-N 1 0 306.406 2.082 20 10 DECDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001560341151 1075138079 /nfs/dbraw/zinc/13/80/79/1075138079.db2.gz YFROLPJNLHEDIL-SFHVURJKSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC001560550907 1075142118 /nfs/dbraw/zinc/14/21/18/1075142118.db2.gz OTFJEMQSWQDYEY-DZGCQCFKSA-N 1 0 320.368 2.203 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC001560800130 1075146413 /nfs/dbraw/zinc/14/64/13/1075146413.db2.gz GCLDBOXXCCETEX-CABCVRRESA-N 1 0 306.450 2.403 20 10 DECDRO O=C(NCc1c(O)ccc2ccccc21)[C@H]1C[NH2+]CCC1(F)F ZINC001580708390 1075979688 /nfs/dbraw/zinc/97/96/88/1075979688.db2.gz OLMRPMSPZOHCAI-CQSZACIVSA-N 1 0 320.339 2.406 20 10 DECDRO Oc1cccc(Br)c1CNc1cc2n(n1)CC[NH2+]C2 ZINC001580888715 1076015608 /nfs/dbraw/zinc/01/56/08/1076015608.db2.gz WSWJRZCZYZLKNF-UHFFFAOYSA-N 1 0 323.194 2.067 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@]3(CCOC3=O)C2)cc1 ZINC001653268839 1079923296 /nfs/dbraw/zinc/92/32/96/1079923296.db2.gz BMBFVFJNKLSYHI-WHLIDYPQSA-N 1 0 300.402 2.405 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccccc1O ZINC001654532512 1079969868 /nfs/dbraw/zinc/96/98/68/1079969868.db2.gz VEBWKDKQHJDESI-LBPRGKRZSA-N 1 0 302.349 2.498 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1c1cnccn1 ZINC001655144678 1079988023 /nfs/dbraw/zinc/98/80/23/1079988023.db2.gz BQRIKMVFEAHECC-OAHLLOKOSA-N 1 0 311.433 2.253 20 10 DECDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001655734459 1080014730 /nfs/dbraw/zinc/01/47/30/1080014730.db2.gz JWWKEYICJPXNNS-OAHLLOKOSA-N 1 0 321.440 2.236 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)Cn2cncn2)ccc1OC ZINC001656971818 1080143731 /nfs/dbraw/zinc/14/37/31/1080143731.db2.gz CLPVVAVYWPENPA-ZDUSSCGKSA-N 1 0 304.394 2.002 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(Cc3cccnc3)nn2)c1 ZINC001658588054 1080211238 /nfs/dbraw/zinc/21/12/38/1080211238.db2.gz PWFIDDROLSKRPY-UHFFFAOYSA-N 1 0 309.373 2.025 20 10 DECDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC001659583859 1080245166 /nfs/dbraw/zinc/24/51/66/1080245166.db2.gz PEBZSNNEGZVQTR-BQYQJAHWSA-N 1 0 317.341 2.470 20 10 DECDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001661788216 1080522903 /nfs/dbraw/zinc/52/29/03/1080522903.db2.gz ZIQZNOWYUZVJJX-UHFFFAOYSA-N 1 0 315.377 2.181 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(O)c1 ZINC001665036440 1080985140 /nfs/dbraw/zinc/98/51/40/1080985140.db2.gz DFEHASOSWOEKGW-JOCQHMNTSA-N 1 0 306.406 2.091 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]([S@@](C)=O)C2)c1O ZINC001665837438 1081089812 /nfs/dbraw/zinc/08/98/12/1081089812.db2.gz PHRMLYBXKLHYJT-FKANQGBASA-N 1 0 317.838 2.443 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccn2C)cc1C ZINC001483109080 1082714287 /nfs/dbraw/zinc/71/42/87/1082714287.db2.gz KKPAEEIMAMCUGI-CQSZACIVSA-N 1 0 315.417 2.250 20 10 DECDRO COc1ccc(N2CC3(C2)CC[N@H+](CCN(C)C)C3)c(C)c1 ZINC001277023274 1083735318 /nfs/dbraw/zinc/73/53/18/1083735318.db2.gz WTCPYVBJCMYZNI-UHFFFAOYSA-N 1 0 303.450 2.077 20 10 DECDRO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2O)N1CC1CC1 ZINC001203551777 1084087896 /nfs/dbraw/zinc/08/78/96/1084087896.db2.gz NJPFLNMLOLSXIJ-HOTGVXAUSA-N 1 0 300.402 2.368 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCOC[C@@H]3F)cc2)CC1 ZINC001234661617 1084191959 /nfs/dbraw/zinc/19/19/59/1084191959.db2.gz VVDYVOJAVKZQCJ-IRXDYDNUSA-N 1 0 308.397 2.334 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]32)c(OC)c1 ZINC001235005378 1084268686 /nfs/dbraw/zinc/26/86/86/1084268686.db2.gz GRYHFVWXYXDEOV-WMLDXEAASA-N 1 0 303.450 2.335 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2coc(C)n2)cc1C ZINC001491436400 1084312416 /nfs/dbraw/zinc/31/24/16/1084312416.db2.gz XWTPQKOXSNXFCW-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO Cc1cc(CN2CCCC23C[NH2+]C3)c(O)cc1Br ZINC001235103847 1084312839 /nfs/dbraw/zinc/31/28/39/1084312839.db2.gz XVFKVKLHQYEOOF-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO Cc1cc(Br)cc(CN2CC3(C2)CCC[NH2+]3)c1O ZINC001235202033 1084343007 /nfs/dbraw/zinc/34/30/07/1084343007.db2.gz KMYNUEQWPUYBST-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO CC(C)c1ccc(CN2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235509491 1084451940 /nfs/dbraw/zinc/45/19/40/1084451940.db2.gz YZLYUEYGMRKBJY-UHFFFAOYSA-N 1 0 301.390 2.220 20 10 DECDRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308685455 1126168347 /nfs/dbraw/zinc/16/83/47/1126168347.db2.gz JKXQIDKGJUBOGE-QGZVFWFLSA-N 1 0 313.397 2.410 20 10 DECDRO COCC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706834330 1086652377 /nfs/dbraw/zinc/65/23/77/1086652377.db2.gz WPEPALBLUXRBRK-CYBMUJFWSA-N 1 0 318.211 2.032 20 10 DECDRO COCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000958814814 1089200703 /nfs/dbraw/zinc/20/07/03/1089200703.db2.gz LJLFZIRANDBFOJ-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2O)CS1(=O)=O ZINC001308854833 1092035477 /nfs/dbraw/zinc/03/54/77/1092035477.db2.gz RDVGRVLBPRTMJP-SKDRFNHKSA-N 1 0 303.811 2.101 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001273769512 1092041003 /nfs/dbraw/zinc/04/10/03/1092041003.db2.gz KJTXMHAOOYAXDP-QGZVFWFLSA-N 1 0 324.371 2.390 20 10 DECDRO COc1cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc(O)c1O ZINC001275963582 1092383702 /nfs/dbraw/zinc/38/37/02/1092383702.db2.gz ZLJHQAXCIVFCIP-GOSISDBHSA-N 1 0 320.433 2.414 20 10 DECDRO COc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc(O)c1O ZINC001275963115 1092388677 /nfs/dbraw/zinc/38/86/77/1092388677.db2.gz OODZDBHXJLOUFF-KRWDZBQOSA-N 1 0 306.406 2.024 20 10 DECDRO C[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001236579094 1138378016 /nfs/dbraw/zinc/37/80/16/1138378016.db2.gz KYFZXZLIUYPECY-NXEZZACHSA-N 1 0 304.312 2.473 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)cc1Br ZINC001236748572 1138406144 /nfs/dbraw/zinc/40/61/44/1138406144.db2.gz RQKYAGMCCMHRML-CYBMUJFWSA-N 1 0 316.195 2.120 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)cc1OC ZINC001236750285 1138407055 /nfs/dbraw/zinc/40/70/55/1138407055.db2.gz KHNDJOUBZCKYID-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C(C)(C)C1 ZINC001236751302 1138407279 /nfs/dbraw/zinc/40/72/79/1138407279.db2.gz FELLOXVBUNLVDM-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)cc1OC ZINC001236750555 1138407356 /nfs/dbraw/zinc/40/73/56/1138407356.db2.gz RYTWJHZREPBGJX-PXAZEXFGSA-N 1 0 309.406 2.392 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H]1C ZINC001236751516 1138408236 /nfs/dbraw/zinc/40/82/36/1138408236.db2.gz GPVNGEWZHYIALH-WCQYABFASA-N 1 0 323.389 2.183 20 10 DECDRO COc1cc(O)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1OC ZINC001236755434 1138410908 /nfs/dbraw/zinc/41/09/08/1138410908.db2.gz DJMXAAXIQWGZAW-LLVKDONJSA-N 1 0 313.394 2.439 20 10 DECDRO CCc1ccc(CN2CC[NH+](CCCCOC)CC2)c(O)c1 ZINC001236786908 1138427359 /nfs/dbraw/zinc/42/73/59/1138427359.db2.gz FMDZFCNCAQWQFU-UHFFFAOYSA-N 1 0 306.450 2.499 20 10 DECDRO CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(OC)cc3O)C[C@@H]2C1 ZINC001236816956 1138438619 /nfs/dbraw/zinc/43/86/19/1138438619.db2.gz 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Cc1ccc(C)c(C[NH+]2CC3(C[C@@H]3C(=O)NCC(F)F)C2)c1O ZINC001278354117 1140043582 /nfs/dbraw/zinc/04/35/82/1140043582.db2.gz FRZDPDKQAPFTQR-CYBMUJFWSA-N 1 0 324.371 2.212 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2O ZINC001320244093 1140840768 /nfs/dbraw/zinc/84/07/68/1140840768.db2.gz AIBCXBFTGXBIAW-IUODEOHRSA-N 1 0 322.424 2.374 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccn[nH]2)cc1C ZINC001320356232 1140854225 /nfs/dbraw/zinc/85/42/25/1140854225.db2.gz IKNXKFRUDVKCDW-CYBMUJFWSA-N 1 0 316.405 2.025 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1O ZINC001320713635 1140897328 /nfs/dbraw/zinc/89/73/28/1140897328.db2.gz YWCSORMRIWBDNY-ONGXEEELSA-N 1 0 304.312 2.500 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@]2(C)CCOC2)cc1C ZINC001322032737 1141384024 /nfs/dbraw/zinc/38/40/24/1141384024.db2.gz KAPDNORGVOZHBQ-KBXCAEBGSA-N 1 0 320.433 2.025 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c(O)c1 ZINC001249214157 1141860195 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CO[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001254005172 1143022474 /nfs/dbraw/zinc/02/24/74/1143022474.db2.gz TVTUSOSUWIAWJP-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO CC(C)[N@@H+]1CCCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339573658 1143056882 /nfs/dbraw/zinc/05/68/82/1143056882.db2.gz QTKLNAHSDPFWHG-UHFFFAOYSA-N 1 0 321.450 2.170 20 10 DECDRO CCOC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC001254395098 1143099747 /nfs/dbraw/zinc/09/97/47/1143099747.db2.gz CDEAIVAJPMXRGP-ZDUSSCGKSA-N 1 0 306.406 2.070 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001254574401 1143256802 /nfs/dbraw/zinc/25/68/02/1143256802.db2.gz GSZKDWJUECAEFY-ZDUSSCGKSA-N 1 0 300.314 2.263 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2([NH2+]C)CCC2)cc1F ZINC001340217893 1143303480 /nfs/dbraw/zinc/30/34/80/1143303480.db2.gz HFHLJTZBXWKTSW-UHFFFAOYSA-N 1 0 307.413 2.430 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254852226 1143337224 /nfs/dbraw/zinc/33/72/24/1143337224.db2.gz 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ZINC001491979058 1147028785 /nfs/dbraw/zinc/02/87/85/1147028785.db2.gz GFJVYKZXJVZHFG-YOEHRIQHSA-N 1 0 320.433 2.167 20 10 DECDRO CN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001308541329 1147479642 /nfs/dbraw/zinc/47/96/42/1147479642.db2.gz QCRZVWJZZDMASY-INIZCTEOSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)O1 ZINC001324849337 1147852785 /nfs/dbraw/zinc/85/27/85/1147852785.db2.gz RIHMMEMLEZNNDF-GOEBONIOSA-N 1 0 321.440 2.235 20 10 DECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001325382850 1147898084 /nfs/dbraw/zinc/89/80/84/1147898084.db2.gz HBDDYFUHHWORDU-IYBDPMFKSA-N 1 0 321.440 2.235 20 10 DECDRO CCCN1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC001326587128 1148153920 /nfs/dbraw/zinc/15/39/20/1148153920.db2.gz JKVBZZFFRVWHGD-ZDUSSCGKSA-N 1 0 321.373 2.088 20 10 DECDRO COC1(CO)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327141576 1148334594 /nfs/dbraw/zinc/33/45/94/1148334594.db2.gz RBEOVQCOPPBJFC-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000092706404 185334607 /nfs/dbraw/zinc/33/46/07/185334607.db2.gz JVNNZSOVOLTZRD-CQSZACIVSA-N 1 0 320.433 2.385 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175163318 282290183 /nfs/dbraw/zinc/29/01/83/282290183.db2.gz YFCYJIFVWZJFMG-NVXWUHKLSA-N 1 0 318.465 2.425 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC001353604364 1151841572 /nfs/dbraw/zinc/84/15/72/1151841572.db2.gz BIUIYNDGYRWZMD-MRXNPFEDSA-N 1 0 310.463 2.118 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218393 193174342 /nfs/dbraw/zinc/17/43/42/193174342.db2.gz VZJCSYNTJYWLOY-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000093611798 193273534 /nfs/dbraw/zinc/27/35/34/193273534.db2.gz UFBHFPYUSUOXJF-CYBMUJFWSA-N 1 0 305.296 2.290 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000471737290 248708937 /nfs/dbraw/zinc/70/89/37/248708937.db2.gz PATBLNPASSIVRA-AWEZNQCLSA-N 1 0 314.433 2.380 20 10 DECDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@H+](C)C1CC1 ZINC000105269164 194090644 /nfs/dbraw/zinc/09/06/44/194090644.db2.gz XSDZUMIOCNIPNU-AWEZNQCLSA-N 1 0 318.465 2.377 20 10 DECDRO CCN(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106584839 194234105 /nfs/dbraw/zinc/23/41/05/194234105.db2.gz VRJJJJAUQSNCSK-UHFFFAOYSA-N 1 0 322.428 2.129 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1 ZINC000273582549 130140046 /nfs/dbraw/zinc/14/00/46/130140046.db2.gz NBHIOGTUZMWPER-DYEKYZERSA-N 1 0 323.389 2.023 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1F ZINC000275648272 130353488 /nfs/dbraw/zinc/35/34/88/130353488.db2.gz UDNHXWXFGTZJOX-HOCLYGCPSA-N 1 0 318.396 2.245 20 10 DECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000279944448 130772056 /nfs/dbraw/zinc/77/20/56/130772056.db2.gz RQDZFRBVUKRBEQ-HOCLYGCPSA-N 1 0 301.434 2.291 20 10 DECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1ccccc1 ZINC000288549169 131330453 /nfs/dbraw/zinc/33/04/53/131330453.db2.gz LIJQTXXCTJEEOJ-APPDUMDISA-N 1 0 301.342 2.333 20 10 DECDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000289275274 131370329 /nfs/dbraw/zinc/37/03/29/131370329.db2.gz GRPWMBBGDBUDGI-ZDUSSCGKSA-N 1 0 321.270 2.459 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000289540372 131394374 /nfs/dbraw/zinc/39/43/74/131394374.db2.gz IAHKYHWGNJGMRI-UHFFFAOYSA-N 1 0 314.158 2.280 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000273439625 292013910 /nfs/dbraw/zinc/01/39/10/292013910.db2.gz YBCPTAHUCDUOLY-OLZOCXBDSA-N 1 0 318.417 2.314 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000273439629 292014364 /nfs/dbraw/zinc/01/43/64/292014364.db2.gz YBCPTAHUCDUOLY-QWHCGFSZSA-N 1 0 318.417 2.314 20 10 DECDRO CCOC(=O)N1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000076272144 401788564 /nfs/dbraw/zinc/78/85/64/401788564.db2.gz LZTPFVWZVLRIKO-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO Oc1ccccc1C[N@H+](CCn1ccnc1)C[C@@H]1CCCO1 ZINC000123510204 402131806 /nfs/dbraw/zinc/13/18/06/402131806.db2.gz DWNUEXNLURBWFZ-INIZCTEOSA-N 1 0 301.390 2.270 20 10 DECDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1O ZINC000154031102 402187885 /nfs/dbraw/zinc/18/78/85/402187885.db2.gz PJWFHDVWZVAFPD-AWEZNQCLSA-N 1 0 313.401 2.475 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103503692 402191461 /nfs/dbraw/zinc/19/14/61/402191461.db2.gz WXBCVCDPQWFPOL-UHFFFAOYSA-N 1 0 318.465 2.236 20 10 DECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700678 402293300 /nfs/dbraw/zinc/29/33/00/402293300.db2.gz CCRCRLGNKHLFMK-HNNXBMFYSA-N 1 0 313.781 2.439 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000186505451 402437581 /nfs/dbraw/zinc/43/75/81/402437581.db2.gz RVHMNHIXPZAGMW-LBPRGKRZSA-N 1 0 302.418 2.448 20 10 DECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000186584786 402444501 /nfs/dbraw/zinc/44/45/01/402444501.db2.gz 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CN(C)c1ccc(/C=C/C[NH2+]CCN2CCOCC2(C)C)cc1 ZINC000835043308 649870864 /nfs/dbraw/zinc/87/08/64/649870864.db2.gz SFROHVKSRHUJGY-AATRIKPKSA-N 1 0 317.477 2.466 20 10 DECDRO CNC(=O)C1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCCC1 ZINC000835046320 649871386 /nfs/dbraw/zinc/87/13/86/649871386.db2.gz QNCPHZKRPXOBNB-VOTSOKGWSA-N 1 0 301.434 2.414 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054997 649873042 /nfs/dbraw/zinc/87/30/42/649873042.db2.gz PBTBCTFMTXXJJQ-OJBOGMDESA-N 1 0 315.461 2.171 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c(O)c1 ZINC000835075037 649875934 /nfs/dbraw/zinc/87/59/34/649875934.db2.gz UUOSQJDWCCEJJV-DZGCQCFKSA-N 1 0 304.390 2.034 20 10 DECDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000166249915 625353124 /nfs/dbraw/zinc/35/31/24/625353124.db2.gz GIWNTNCELDYYBJ-HNNXBMFYSA-N 1 0 319.449 2.089 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC000970081375 623100326 /nfs/dbraw/zinc/10/03/26/623100326.db2.gz GISGTXBPQMMPCY-HZPDHXFCSA-N 1 0 314.429 2.494 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)cc1 ZINC001021116830 623356313 /nfs/dbraw/zinc/35/63/13/623356313.db2.gz RVGDKZVYNFLLEI-HDJSIYSDSA-N 1 0 315.377 2.109 20 10 DECDRO CCOC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000179424644 625647940 /nfs/dbraw/zinc/64/79/40/625647940.db2.gz OWGOVVSFTHVLOO-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO CCC[C@@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251066 623797703 /nfs/dbraw/zinc/79/77/03/623797703.db2.gz CUXVOBBFESLMRC-SJLPKXTDSA-N 1 0 321.465 2.023 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCCC(C)(C)[NH3+])cc1 ZINC000891390317 624138012 /nfs/dbraw/zinc/13/80/12/624138012.db2.gz HIGYTSPDPVCQHG-UHFFFAOYSA-N 1 0 306.454 2.459 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2C3CCC2(C[NH3+])CC3)cc1F ZINC000891455570 624205792 /nfs/dbraw/zinc/20/57/92/624205792.db2.gz DPVZLNIWNMCCFW-UHFFFAOYSA-N 1 0 320.412 2.057 20 10 DECDRO CC[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891547613 624474072 /nfs/dbraw/zinc/47/40/72/624474072.db2.gz FBCYOPLWHHWKNX-UHFFFAOYSA-N 1 0 311.813 2.329 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000892069438 624768658 /nfs/dbraw/zinc/76/86/58/624768658.db2.gz KOIYFLRCNSJXQF-KGLIPLIRSA-N 1 0 323.824 2.472 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1O ZINC000892189539 624832708 /nfs/dbraw/zinc/83/27/08/624832708.db2.gz YISBUAFCLFZPMH-AAVRWANBSA-N 1 0 303.406 2.141 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)c(O)c1OC ZINC000892555531 625145814 /nfs/dbraw/zinc/14/58/14/625145814.db2.gz HYIUPWZUVWLVQH-ZDUSSCGKSA-N 1 0 317.389 2.310 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892564458 625153874 /nfs/dbraw/zinc/15/38/74/625153874.db2.gz FZDTXMIRKLLYCG-GASCZTMLSA-N 1 0 304.438 2.021 20 10 DECDRO CN1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC000775205555 625167117 /nfs/dbraw/zinc/16/71/17/625167117.db2.gz ZVKPLSMJYKBHLQ-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO COc1cccc(CNC(=O)NCCC[NH+]2CCCCC2)c1O ZINC000073536613 634142139 /nfs/dbraw/zinc/14/21/39/634142139.db2.gz IMDDSRRHQDHGEQ-UHFFFAOYSA-N 1 0 321.421 2.076 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000125603374 634261517 /nfs/dbraw/zinc/26/15/17/634261517.db2.gz IVKRODDOSGVIED-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CSC)C2)cc1C ZINC000998469924 634283944 /nfs/dbraw/zinc/28/39/44/634283944.db2.gz LLTLJZOKDUFXPA-OAHLLOKOSA-N 1 0 322.474 2.447 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000921746926 634833554 /nfs/dbraw/zinc/83/35/54/634833554.db2.gz OUOKBZUJKCEQGX-UHFFFAOYSA-N 1 0 300.406 2.078 20 10 DECDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922113068 635875144 /nfs/dbraw/zinc/87/51/44/635875144.db2.gz JCXPHKOFPYQGPE-NVXWUHKLSA-N 1 0 307.434 2.259 20 10 DECDRO COc1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c(O)c1OC ZINC000893715102 635988574 /nfs/dbraw/zinc/98/85/74/635988574.db2.gz BZYVZNCFTQVDJC-UHFFFAOYSA-N 1 0 317.332 2.001 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1F ZINC000924860265 636114363 /nfs/dbraw/zinc/11/43/63/636114363.db2.gz BPQSHNPQWFHUDD-MRXNPFEDSA-N 1 0 308.397 2.319 20 10 DECDRO Oc1cc2c(cc1C[NH2+]Cc1nc3c(s1)CCC3)OCO2 ZINC000922471601 636190975 /nfs/dbraw/zinc/19/09/75/636190975.db2.gz XCZUZKHUZLFFGY-UHFFFAOYSA-N 1 0 304.371 2.356 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1C ZINC000922623069 636283000 /nfs/dbraw/zinc/28/30/00/636283000.db2.gz GSGACHRSNGOUQB-UHFFFAOYSA-N 1 0 321.417 2.147 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2C)cc1Cn1cccn1 ZINC000922637726 636289604 /nfs/dbraw/zinc/28/96/04/636289604.db2.gz BHPZVLUSTMPIQP-CZUORRHYSA-N 1 0 301.390 2.065 20 10 DECDRO COc1ccc(C[N@H+](CCO)Cc2ccc(C)o2)c(O)c1OC ZINC000894182372 636395943 /nfs/dbraw/zinc/39/59/43/636395943.db2.gz LICZTXILSPLXNA-UHFFFAOYSA-N 1 0 321.373 2.305 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1C ZINC000922950298 636879731 /nfs/dbraw/zinc/87/97/31/636879731.db2.gz HKXMBKRCCWFMPV-KRWDZBQOSA-N 1 0 304.434 2.352 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1O ZINC000894459022 637050235 /nfs/dbraw/zinc/05/02/35/637050235.db2.gz ZXPYPLSYZXSVCQ-STQMWFEESA-N 1 0 311.353 2.124 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1ccc(N2CCOCC2)cc1 ZINC000923436193 637179234 /nfs/dbraw/zinc/17/92/34/637179234.db2.gz OJOQONUQNOZAGG-OWCLPIDISA-N 1 0 303.450 2.094 20 10 DECDRO COc1cc(O)c(C[NH2+]CCO[C@H]2CCCCO2)cc1OC ZINC000894798538 637213581 /nfs/dbraw/zinc/21/35/81/637213581.db2.gz FRANZFRBLKQYFK-INIZCTEOSA-N 1 0 311.378 2.042 20 10 DECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894854014 637258296 /nfs/dbraw/zinc/25/82/96/637258296.db2.gz BEWKXMRIOXPSDZ-ZDUSSCGKSA-N 1 0 308.422 2.351 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCCF)[NH+](C)C)cc1 ZINC000894996821 637369781 /nfs/dbraw/zinc/36/97/81/637369781.db2.gz ICYCLPYCTXEEJY-MRXNPFEDSA-N 1 0 324.444 2.404 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NOC2CCC2)[NH+](C)C)cc1 ZINC000895136423 637645730 /nfs/dbraw/zinc/64/57/30/637645730.db2.gz UYZJISNAWGUFQL-MRXNPFEDSA-N 1 0 320.437 2.139 20 10 DECDRO Cc1cc(O)c(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000840890793 650371582 /nfs/dbraw/zinc/37/15/82/650371582.db2.gz RJFJNEARDNOVAR-STQMWFEESA-N 1 0 310.825 2.307 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c(O)c1OC ZINC000895305337 637905853 /nfs/dbraw/zinc/90/58/53/637905853.db2.gz WPPPBGVSPBAZQJ-CYBMUJFWSA-N 1 0 308.422 2.372 20 10 DECDRO COc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1C ZINC000895344735 637950524 /nfs/dbraw/zinc/95/05/24/637950524.db2.gz WPRJMSAABHIKEL-INIZCTEOSA-N 1 0 317.433 2.383 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000840937801 650390536 /nfs/dbraw/zinc/39/05/36/650390536.db2.gz YAJVYRQUTHQUJP-AEFFLSMTSA-N 1 0 304.434 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000840937807 650390583 /nfs/dbraw/zinc/39/05/83/650390583.db2.gz YAJVYRQUTHQUJP-WMZOPIPTSA-N 1 0 304.434 2.489 20 10 DECDRO CC[NH+](CC)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895582927 638095851 /nfs/dbraw/zinc/09/58/51/638095851.db2.gz UOFHPXHMLICVAO-UHFFFAOYSA-N 1 0 308.403 2.384 20 10 DECDRO O=S(=O)(CC[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000840965264 650396224 /nfs/dbraw/zinc/39/62/24/650396224.db2.gz AWANYEVCRBMAAL-UHFFFAOYSA-N 1 0 305.399 2.212 20 10 DECDRO CCCC[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841029872 650408694 /nfs/dbraw/zinc/40/86/94/650408694.db2.gz SZNHOOPZWKBKBK-HNNXBMFYSA-N 1 0 309.429 2.269 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000841045641 650413770 /nfs/dbraw/zinc/41/37/70/650413770.db2.gz NNHGOWQAWIHWPR-KRWDZBQOSA-N 1 0 323.444 2.429 20 10 DECDRO CC[C@@H]([NH3+])CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841072950 650422343 /nfs/dbraw/zinc/42/23/43/650422343.db2.gz SUYHMWAMPGVJRD-CQSZACIVSA-N 1 0 306.410 2.412 20 10 DECDRO CCOCc1cc(CN[C@H](CC[NH3+])C(F)F)ccc1OC ZINC000841073148 650423229 /nfs/dbraw/zinc/42/32/29/650423229.db2.gz DPOISXSIDSFCGW-CYBMUJFWSA-N 1 0 302.365 2.304 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000751154526 639061850 /nfs/dbraw/zinc/06/18/50/639061850.db2.gz WYPORZGIPSFIDF-OAQYLSRUSA-N 1 0 305.399 2.428 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1O ZINC000751154452 639061957 /nfs/dbraw/zinc/06/19/57/639061957.db2.gz VGKLKGDWMBGFHJ-NRFANRHFSA-N 1 0 305.399 2.428 20 10 DECDRO CCc1cccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897009552 639129920 /nfs/dbraw/zinc/12/99/20/639129920.db2.gz ARHXPVMMFWCERN-UHFFFAOYSA-N 1 0 304.390 2.419 20 10 DECDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000751935205 639137845 /nfs/dbraw/zinc/13/78/45/639137845.db2.gz ABLSWEAXIPPPGD-MRXNPFEDSA-N 1 0 304.321 2.027 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1OC ZINC000897232436 639262471 /nfs/dbraw/zinc/26/24/71/639262471.db2.gz UDAQOYVFLHZXFJ-UHFFFAOYSA-N 1 0 317.389 2.310 20 10 DECDRO CCc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897260077 639292923 /nfs/dbraw/zinc/29/29/23/639292923.db2.gz XSFWOTMQARVHBB-INIZCTEOSA-N 1 0 305.418 2.461 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1 ZINC000753625390 639322625 /nfs/dbraw/zinc/32/26/25/639322625.db2.gz QAJPCQSXCGNJSV-FZKQIMNGSA-N 1 0 322.424 2.444 20 10 DECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000754143038 639393806 /nfs/dbraw/zinc/39/38/06/639393806.db2.gz HVEIMPRIPWRZOC-KBMXLJTQSA-N 1 0 301.434 2.134 20 10 DECDRO Oc1ccccc1CN(CC[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000756334857 639651042 /nfs/dbraw/zinc/65/10/42/639651042.db2.gz CZIPHYNLIQBXRJ-KRWDZBQOSA-N 1 0 304.434 2.469 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1 ZINC000756481575 639665005 /nfs/dbraw/zinc/66/50/05/639665005.db2.gz CNVICUBOHPYUCT-GFCCVEGCSA-N 1 0 314.451 2.069 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756608436 639678952 /nfs/dbraw/zinc/67/89/52/639678952.db2.gz BMJHMLHMOWVIMU-LQJRIPTKSA-N 1 0 305.353 2.136 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2O ZINC000756641829 639680780 /nfs/dbraw/zinc/68/07/80/639680780.db2.gz YLUXRAKTJSWGBG-ZANVPECISA-N 1 0 315.348 2.363 20 10 DECDRO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)S(C)(=O)=O ZINC000756770724 639693669 /nfs/dbraw/zinc/69/36/69/639693669.db2.gz ZVDSHJPITHRPIZ-VXGBXAGGSA-N 1 0 311.447 2.355 20 10 DECDRO COCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228670049 639790509 /nfs/dbraw/zinc/79/05/09/639790509.db2.gz DQNMVLVDTKZSAO-UHFFFAOYSA-N 1 0 303.786 2.197 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000841654028 650530474 /nfs/dbraw/zinc/53/04/74/650530474.db2.gz LVOANYFTHTVHGN-MRXNPFEDSA-N 1 0 304.438 2.069 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1F ZINC000841759387 650558749 /nfs/dbraw/zinc/55/87/49/650558749.db2.gz FMLYJTATFAXXRE-QGZVFWFLSA-N 1 0 322.428 2.081 20 10 DECDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793634 650565481 /nfs/dbraw/zinc/56/54/81/650565481.db2.gz OBOLQTNXAUBEEL-HNNXBMFYSA-N 1 0 318.465 2.459 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C3CC3)C2)cc1C ZINC000987713644 640266698 /nfs/dbraw/zinc/26/66/98/640266698.db2.gz KDAUORMDJUAHSH-CJNGLKHVSA-N 1 0 302.418 2.493 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841790262 650564839 /nfs/dbraw/zinc/56/48/39/650564839.db2.gz BHSHPKUZQIMYHJ-INIZCTEOSA-N 1 0 318.465 2.231 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000762623413 640445282 /nfs/dbraw/zinc/44/52/82/640445282.db2.gz AVHRVTLMNQIKFA-QMMMGPOBSA-N 1 0 318.211 2.412 20 10 DECDRO C[C@H]1[NH2+]CCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000841856399 650581424 /nfs/dbraw/zinc/58/14/24/650581424.db2.gz JETHIAZYXNSTCN-MNOVXSKESA-N 1 0 314.480 2.017 20 10 DECDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857673 650582215 /nfs/dbraw/zinc/58/22/15/650582215.db2.gz QMENMCANJDGWGQ-QWRGUYRKSA-N 1 0 314.480 2.052 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841943008 650607989 /nfs/dbraw/zinc/60/79/89/650607989.db2.gz ATABOHGJXLNELJ-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925313809 640811898 /nfs/dbraw/zinc/81/18/98/640811898.db2.gz PNVPMXDJSIVUEZ-YOEHRIQHSA-N 1 0 318.465 2.377 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000841946491 650608918 /nfs/dbraw/zinc/60/89/18/650608918.db2.gz ATSOVEIPOLFHMS-DOTOQJQBSA-N 1 0 318.465 2.412 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(=O)N1CCc2ccccc21 ZINC000729685218 640825722 /nfs/dbraw/zinc/82/57/22/640825722.db2.gz YNWDSFPPZYPKPT-UHFFFAOYSA-N 1 0 312.369 2.080 20 10 DECDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977369 640835721 /nfs/dbraw/zinc/83/57/21/640835721.db2.gz GSDIQGUKCBIDDG-AWEZNQCLSA-N 1 0 322.474 2.200 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cnn(C)c3C)CC2)cc1 ZINC000766019192 640840202 /nfs/dbraw/zinc/84/02/02/640840202.db2.gz RZCKTPXAWZKMPQ-UHFFFAOYSA-N 1 0 314.433 2.449 20 10 DECDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958640 650612771 /nfs/dbraw/zinc/61/27/71/650612771.db2.gz GWDFRZOKCKCRKI-CQSZACIVSA-N 1 0 318.465 2.183 20 10 DECDRO C[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841969698 650616447 /nfs/dbraw/zinc/61/64/47/650616447.db2.gz OGXLKTHTXUSXKN-CQSZACIVSA-N 1 0 304.438 2.166 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000841986048 650620361 /nfs/dbraw/zinc/62/03/61/650620361.db2.gz LIBNSNUHISLDNS-HIFRSBDPSA-N 1 0 305.422 2.312 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000841980690 650618916 /nfs/dbraw/zinc/61/89/16/650618916.db2.gz YZCNEMISFPVEKK-UHFFFAOYSA-N 1 0 311.385 2.337 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000841989200 650620860 /nfs/dbraw/zinc/62/08/60/650620860.db2.gz OLBZUXNBWAXUPD-LBPRGKRZSA-N 1 0 319.405 2.071 20 10 DECDRO Oc1cc2c(cc1CN1CCC([NH2+]C3CCC3)CC1)OCO2 ZINC000897981387 640994109 /nfs/dbraw/zinc/99/41/09/640994109.db2.gz 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Cn1cc([C@@]2(C[NH2+][C@H]3CCc4cccc(O)c43)CCCO2)cn1 ZINC000903359041 643326307 /nfs/dbraw/zinc/32/63/07/643326307.db2.gz CGORPFRLKRCNAO-YJBOKZPZSA-N 1 0 313.401 2.409 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c1 ZINC000903372663 643330618 /nfs/dbraw/zinc/33/06/18/643330618.db2.gz NKEIXFBYRBGGRD-AWEZNQCLSA-N 1 0 321.417 2.399 20 10 DECDRO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncc[nH]1 ZINC000903448191 643354796 /nfs/dbraw/zinc/35/47/96/643354796.db2.gz LWAOQEKCENEUQK-CZUORRHYSA-N 1 0 301.438 2.429 20 10 DECDRO COc1ccc(N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903732584 643442913 /nfs/dbraw/zinc/44/29/13/643442913.db2.gz GNIJAEVKPURSTK-AWEZNQCLSA-N 1 0 308.397 2.429 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3CC[C@]32C[NH3+])c1O ZINC000903796072 643465552 /nfs/dbraw/zinc/46/55/52/643465552.db2.gz RYRJEPUCPZDXBO-GUYCJALGSA-N 1 0 306.381 2.437 20 10 DECDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)F ZINC000787490190 643499647 /nfs/dbraw/zinc/49/96/47/643499647.db2.gz 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ZINC000843422764 650971733 /nfs/dbraw/zinc/97/17/33/650971733.db2.gz XHQZCCHMUBFMHB-LJQANCHMSA-N 1 0 324.424 2.310 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000910268419 645377666 /nfs/dbraw/zinc/37/76/66/645377666.db2.gz WWCWFIHSQKRKPU-LBPRGKRZSA-N 1 0 317.393 2.405 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN1CCCC1 ZINC000801599252 645421089 /nfs/dbraw/zinc/42/10/89/645421089.db2.gz HHTNAUOXWSHETJ-KRWDZBQOSA-N 1 0 306.450 2.451 20 10 DECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NCC ZINC000801595318 645421453 /nfs/dbraw/zinc/42/14/53/645421453.db2.gz LTUGTOONEQILGZ-CYBMUJFWSA-N 1 0 321.421 2.229 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OCCOC)C2)c(O)c1 ZINC000802653029 645539573 /nfs/dbraw/zinc/53/95/73/645539573.db2.gz NKWMCRNUPXUHCV-INIZCTEOSA-N 1 0 309.406 2.418 20 10 DECDRO Cc1cnc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000911666359 645769910 /nfs/dbraw/zinc/76/99/10/645769910.db2.gz IGMHWCJBXIHFJK-MRXNPFEDSA-N 1 0 312.417 2.194 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC1CCC1)[C@H](O)CO2 ZINC000840092289 645943776 /nfs/dbraw/zinc/94/37/76/645943776.db2.gz ATZNMCIOCXZPMF-RHSMWYFYSA-N 1 0 319.401 2.209 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC1CCC1)[C@@H](O)CO2 ZINC000840092287 645944158 /nfs/dbraw/zinc/94/41/58/645944158.db2.gz ATZNMCIOCXZPMF-PBHICJAKSA-N 1 0 319.401 2.209 20 10 DECDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808421590 646082911 /nfs/dbraw/zinc/08/29/11/646082911.db2.gz OCMXSJSXXHPSAY-HNNXBMFYSA-N 1 0 310.413 2.016 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000809700713 646266227 /nfs/dbraw/zinc/26/62/27/646266227.db2.gz MZZIYBHJWDVJQI-GOEBONIOSA-N 1 0 320.433 2.086 20 10 DECDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(F)ccc1O ZINC000809741013 646273912 /nfs/dbraw/zinc/27/39/12/646273912.db2.gz NKOWHLKELSNICI-UHFFFAOYSA-N 1 0 303.381 2.490 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c1 ZINC000809778522 646282855 /nfs/dbraw/zinc/28/28/55/646282855.db2.gz 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C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000090538925 647473712 /nfs/dbraw/zinc/47/37/12/647473712.db2.gz YYDHSZNHIGRYBI-LBPRGKRZSA-N 1 0 303.366 2.208 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COC(C)C)CC2)cc1 ZINC000819002387 647562106 /nfs/dbraw/zinc/56/21/06/647562106.db2.gz KYGMZRCXONKPGM-KRWDZBQOSA-N 1 0 322.449 2.040 20 10 DECDRO CCOCC[C@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819374641 647646463 /nfs/dbraw/zinc/64/64/63/647646463.db2.gz GTCZCKBHLMGVCD-QAPCUYQASA-N 1 0 308.466 2.369 20 10 DECDRO CCC/C=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838916 648109867 /nfs/dbraw/zinc/10/98/67/648109867.db2.gz NMPBMCWWBSTMBZ-AATRIKPKSA-N 1 0 301.434 2.411 20 10 DECDRO OCCN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000033882924 648200341 /nfs/dbraw/zinc/20/03/41/648200341.db2.gz SLMYWOCLHRDYQX-UHFFFAOYSA-N 1 0 312.413 2.169 20 10 DECDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000925479448 648220552 /nfs/dbraw/zinc/22/05/52/648220552.db2.gz 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651905831 /nfs/dbraw/zinc/90/58/31/651905831.db2.gz VCHYGOLYMXDOJW-GFCCVEGCSA-N 1 0 320.824 2.451 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)cc1 ZINC000850347674 651905850 /nfs/dbraw/zinc/90/58/50/651905850.db2.gz VSWUCRKOMQWZAA-CQSZACIVSA-N 1 0 312.417 2.206 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347496 651906054 /nfs/dbraw/zinc/90/60/54/651906054.db2.gz SMWIVFVCDKZGQJ-WRFANHODSA-N 1 0 318.417 2.061 20 10 DECDRO C[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)CS1(=O)=O ZINC000850369324 651913425 /nfs/dbraw/zinc/91/34/25/651913425.db2.gz VJGNGQCKCTUFSU-VHSXEESVSA-N 1 0 303.811 2.101 20 10 DECDRO COc1cccc(C[NH2+]CC2(O)CCC(F)(F)CC2)c1O ZINC000850404370 651921917 /nfs/dbraw/zinc/92/19/17/651921917.db2.gz KFBQQSHQZABLNK-UHFFFAOYSA-N 1 0 301.333 2.431 20 10 DECDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406269 651922589 /nfs/dbraw/zinc/92/25/89/651922589.db2.gz ZLYRFQBGTVBCPE-UHFFFAOYSA-N 1 0 312.417 2.036 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000851655735 652200019 /nfs/dbraw/zinc/20/00/19/652200019.db2.gz VPYSQMQKKXRBAU-UHFFFAOYSA-N 1 0 316.449 2.166 20 10 DECDRO CN(CC(C)(C)[NH3+])C(=O)NCCCSc1nccs1 ZINC000851657884 652200272 /nfs/dbraw/zinc/20/02/72/652200272.db2.gz PXMHNZXSBVWLIS-UHFFFAOYSA-N 1 0 302.469 2.004 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCCc2cnn(C)c2)cc1F ZINC000858122937 652259774 /nfs/dbraw/zinc/25/97/74/652259774.db2.gz LGLPHGSOJRMWEZ-UHFFFAOYSA-N 1 0 308.376 2.487 20 10 DECDRO CSC[C@](C)(O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142967 652263778 /nfs/dbraw/zinc/26/37/78/652263778.db2.gz BSAVFWCLCOFWSC-CQSZACIVSA-N 1 0 304.406 2.234 20 10 DECDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149603 652267127 /nfs/dbraw/zinc/26/71/27/652267127.db2.gz PNWDGZIYXCMTNJ-CFMSYZGJSA-N 1 0 304.406 2.278 20 10 DECDRO COC[C@@](C)(O)CC[NH2+]Cc1c(O)cccc1Br ZINC000858170765 652271462 /nfs/dbraw/zinc/27/14/62/652271462.db2.gz OEXXGGJLGXGQGR-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@]2(O)CCCOC2)cc1F ZINC000858184229 652273785 /nfs/dbraw/zinc/27/37/85/652273785.db2.gz NPZNQMTVBIYYIY-INIZCTEOSA-N 1 0 314.376 2.052 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000858288562 652297131 /nfs/dbraw/zinc/29/71/31/652297131.db2.gz KYLJSTRUTQXVEG-GXTWGEPZSA-N 1 0 303.406 2.125 20 10 DECDRO COc1cc(C[NH2+][C@@H](C)C(=O)N(C)OC)c(O)c(C(C)(C)C)c1 ZINC000858319689 652304132 /nfs/dbraw/zinc/30/41/32/652304132.db2.gz POGWNOLUMOTMFG-NSHDSACASA-N 1 0 324.421 2.196 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccccn2)cc1 ZINC000852210893 652364300 /nfs/dbraw/zinc/36/43/00/652364300.db2.gz BVUQUALTDLWQTK-SFHVURJKSA-N 1 0 315.417 2.192 20 10 DECDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1C[NH2+]CCO1 ZINC000852751879 652449424 /nfs/dbraw/zinc/44/94/24/652449424.db2.gz JHTRKKONRQNTBY-WBVHZDCISA-N 1 0 304.434 2.318 20 10 DECDRO Nc1ccc(CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000852837037 652466509 /nfs/dbraw/zinc/46/65/09/652466509.db2.gz PBCLFRMXHLOHGG-INIZCTEOSA-N 1 0 301.434 2.050 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1F ZINC000852863978 652472190 /nfs/dbraw/zinc/47/21/90/652472190.db2.gz VIXSRCIXWOIVTB-UHFFFAOYSA-N 1 0 320.368 2.004 20 10 DECDRO [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230202 652661808 /nfs/dbraw/zinc/66/18/08/652661808.db2.gz JKSZIFWPJMNDNM-RBUKOAKNSA-N 1 0 317.477 2.397 20 10 DECDRO C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000854230591 652662714 /nfs/dbraw/zinc/66/27/14/652662714.db2.gz VFDSGORCCKRRGM-BEFAXECRSA-N 1 0 317.477 2.268 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119003 685276091 /nfs/dbraw/zinc/27/60/91/685276091.db2.gz IXZJXJIZROVLGE-MAUKXSAKSA-N 1 0 305.466 2.250 20 10 DECDRO Cc1cc(C[NH2+]CCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000037740703 683883713 /nfs/dbraw/zinc/88/37/13/683883713.db2.gz PVDCCGVMYKIRAI-UHFFFAOYSA-N 1 0 306.431 2.228 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000092660236 684044069 /nfs/dbraw/zinc/04/40/69/684044069.db2.gz DTANZKIMOCXVHI-CYBMUJFWSA-N 1 0 306.406 2.268 20 10 DECDRO CC[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](C)C ZINC000126444533 684154658 /nfs/dbraw/zinc/15/46/58/684154658.db2.gz YACUHVRGCJCWOQ-MRXNPFEDSA-N 1 0 321.490 2.196 20 10 DECDRO COc1cccc(C[NH2+]CC2CCC3(CC2)OCCO3)c1O ZINC000193159497 685033948 /nfs/dbraw/zinc/03/39/48/685033948.db2.gz IGCFPYPKBIDAOM-UHFFFAOYSA-N 1 0 307.390 2.424 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000861677020 686168609 /nfs/dbraw/zinc/16/86/09/686168609.db2.gz PWTFTYMYVCADPB-DLBZAZTESA-N 1 0 318.465 2.425 20 10 DECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862310602 686276653 /nfs/dbraw/zinc/27/66/53/686276653.db2.gz ZRKWMKFNQQAHMB-UWVGGRQHSA-N 1 0 300.196 2.357 20 10 DECDRO COc1cc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000863322585 686477006 /nfs/dbraw/zinc/47/70/06/686477006.db2.gz ZSWHYKUERJCNRG-BJHJDKERSA-N 1 0 320.433 2.394 20 10 DECDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000863540211 686517503 /nfs/dbraw/zinc/51/75/03/686517503.db2.gz CITGBLJWXLXWKX-YJBOKZPZSA-N 1 0 315.461 2.458 20 10 DECDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000863541235 686518139 /nfs/dbraw/zinc/51/81/39/686518139.db2.gz HPOMYOHJHQIZCN-ABAIWWIYSA-N 1 0 304.390 2.114 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(Cl)c1 ZINC000865660241 687294070 /nfs/dbraw/zinc/29/40/70/687294070.db2.gz QVLDWRORGAGWRL-LBPRGKRZSA-N 1 0 312.841 2.289 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCC2(O)CCC2)c1 ZINC000930217557 694114074 /nfs/dbraw/zinc/11/40/74/694114074.db2.gz XJCYQBWZDUACBQ-OLZOCXBDSA-N 1 0 309.406 2.108 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000866206904 687491732 /nfs/dbraw/zinc/49/17/32/687491732.db2.gz GHKDLNCEBOWWLM-NEPJUHHUSA-N 1 0 321.377 2.142 20 10 DECDRO C[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868698938 688108999 /nfs/dbraw/zinc/10/89/99/688108999.db2.gz ZRFBQIQUVNKFFK-ZIAGYGMSSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3CC3)C2)cc1C ZINC001018406983 688127102 /nfs/dbraw/zinc/12/71/02/688127102.db2.gz WYIJQCDHFCWJSV-INIZCTEOSA-N 1 0 302.418 2.494 20 10 DECDRO CC[C@H](OC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018604898 688184214 /nfs/dbraw/zinc/18/42/14/688184214.db2.gz JJXWEHVBPGBWCT-HOTGVXAUSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc[nH]3)C2)cc1C ZINC001019985670 688435952 /nfs/dbraw/zinc/43/59/52/688435952.db2.gz ICZBUMBHHMSMCS-SHTZXODSSA-N 1 0 313.401 2.382 20 10 DECDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988721 688704871 /nfs/dbraw/zinc/70/48/71/688704871.db2.gz XUJGFGZDDDFKJU-JDSLSITLSA-N 1 0 306.406 2.102 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)[C@@H](O)CO2 ZINC000872721480 689074330 /nfs/dbraw/zinc/07/43/30/689074330.db2.gz JDPJRALDKJUNJM-GMXABZIVSA-N 1 0 307.415 2.003 20 10 DECDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873052202 689149139 /nfs/dbraw/zinc/14/91/39/689149139.db2.gz SISMESFYAWFTOD-RHSMWYFYSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1Cn1cccn1 ZINC000873094321 689157842 /nfs/dbraw/zinc/15/78/42/689157842.db2.gz BBZIMABHHBVGTA-QGZVFWFLSA-N 1 0 315.417 2.191 20 10 DECDRO CCCOc1ccc(C[NH2+]CC(=O)NCC(F)F)cc1C ZINC000873119913 689161465 /nfs/dbraw/zinc/16/14/65/689161465.db2.gz ROVMFGAYBPTRIF-UHFFFAOYSA-N 1 0 300.349 2.255 20 10 DECDRO COc1ccc(C[NH2+]CC2(N(C)C)CC2)cc1Cn1cccn1 ZINC000873132090 689166106 /nfs/dbraw/zinc/16/61/06/689166106.db2.gz GRUQFNAMHUGZNP-UHFFFAOYSA-N 1 0 314.433 2.124 20 10 DECDRO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000873215809 689185914 /nfs/dbraw/zinc/18/59/14/689185914.db2.gz HOWWHGMFXTXUHF-CMPLNLGQSA-N 1 0 313.239 2.490 20 10 DECDRO CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810292 689267597 /nfs/dbraw/zinc/26/75/97/689267597.db2.gz ZRCYVFFUFUOEDC-KBPBESRZSA-N 1 0 315.377 2.156 20 10 DECDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874353540 689391754 /nfs/dbraw/zinc/39/17/54/689391754.db2.gz WXYZZZMHIOMXQD-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000874457308 689418256 /nfs/dbraw/zinc/41/82/56/689418256.db2.gz SNLPDXLLEJSODM-CQSZACIVSA-N 1 0 315.377 2.015 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000875019612 689558577 /nfs/dbraw/zinc/55/85/77/689558577.db2.gz UFVIEDQEOPUBGE-UHFFFAOYSA-N 1 0 305.422 2.376 20 10 DECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875075372 689567835 /nfs/dbraw/zinc/56/78/35/689567835.db2.gz ZDRJJWDRKVEHQU-CYBMUJFWSA-N 1 0 303.406 2.292 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1O ZINC000875094112 689570815 /nfs/dbraw/zinc/57/08/15/689570815.db2.gz YBINRKISBVKZTL-MJBXVCDLSA-N 1 0 303.406 2.379 20 10 DECDRO C[N@H+](CCNC(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000875240684 689593825 /nfs/dbraw/zinc/59/38/25/689593825.db2.gz FFBONCRJHFKFCJ-UHFFFAOYSA-N 1 0 303.406 2.292 20 10 DECDRO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1=CC[N@H+](C)CC1 ZINC000875474505 689631987 /nfs/dbraw/zinc/63/19/87/689631987.db2.gz ALTGTQUFKDOXSI-GFCCVEGCSA-N 1 0 301.390 2.068 20 10 DECDRO CNc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506865 689841922 /nfs/dbraw/zinc/84/19/22/689841922.db2.gz PNNVYEZZCKFZOU-INIZCTEOSA-N 1 0 312.417 2.224 20 10 DECDRO CCCC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876536227 689850258 /nfs/dbraw/zinc/85/02/58/689850258.db2.gz WTHUZJVTKWXYLF-OAHLLOKOSA-N 1 0 311.447 2.490 20 10 DECDRO CCC[N@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccccc1O ZINC000876655047 689890591 /nfs/dbraw/zinc/89/05/91/689890591.db2.gz UXADNHWEGIMSAA-UHFFFAOYSA-N 1 0 324.402 2.045 20 10 DECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876666315 689894466 /nfs/dbraw/zinc/89/44/66/689894466.db2.gz HPHOZQUHSCWXNV-ZHRWSRJISA-N 1 0 301.346 2.040 20 10 DECDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876678686 689898921 /nfs/dbraw/zinc/89/89/21/689898921.db2.gz JFMWFLIIUYFOMK-SFHVURJKSA-N 1 0 317.477 2.174 20 10 DECDRO CN(C)c1ccc(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1F ZINC000876739817 689922636 /nfs/dbraw/zinc/92/26/36/689922636.db2.gz IXZHTYCZAYHSHD-FWPCIQOSSA-N 1 0 305.397 2.064 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCOC1 ZINC000876788964 689937544 /nfs/dbraw/zinc/93/75/44/689937544.db2.gz OQOVXJXEVMJWJT-INIZCTEOSA-N 1 0 304.434 2.116 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876875745 689960652 /nfs/dbraw/zinc/96/06/52/689960652.db2.gz YYYHBEKRUIMLLK-NVXWUHKLSA-N 1 0 321.440 2.437 20 10 DECDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876886486 689964366 /nfs/dbraw/zinc/96/43/66/689964366.db2.gz XXUTZSBFQPMVJB-GOEBONIOSA-N 1 0 302.418 2.261 20 10 DECDRO Cc1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000876907795 689970075 /nfs/dbraw/zinc/97/00/75/689970075.db2.gz WHCSXLNMRVAHDC-UHFFFAOYSA-N 1 0 320.414 2.362 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000876916984 689972265 /nfs/dbraw/zinc/97/22/65/689972265.db2.gz KXLQHHCNPUQXRJ-QGZVFWFLSA-N 1 0 316.401 2.064 20 10 DECDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964537 689984009 /nfs/dbraw/zinc/98/40/09/689984009.db2.gz INJGATSXOSWXLP-MRXNPFEDSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000876971542 689986811 /nfs/dbraw/zinc/98/68/11/689986811.db2.gz JMVUDMDVXGYPGY-HNNXBMFYSA-N 1 0 305.349 2.369 20 10 DECDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877025190 690000507 /nfs/dbraw/zinc/00/05/07/690000507.db2.gz ZEQWHJYMDVTMAV-KBXCAEBGSA-N 1 0 306.450 2.144 20 10 DECDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111948 690020519 /nfs/dbraw/zinc/02/05/19/690020519.db2.gz PEWMAJKGWMJMAT-HNNXBMFYSA-N 1 0 306.450 2.146 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2)CC1 ZINC000877194245 690042519 /nfs/dbraw/zinc/04/25/19/690042519.db2.gz FGBJTBCUQBUOKI-UHFFFAOYSA-N 1 0 316.445 2.260 20 10 DECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877465017 690121143 /nfs/dbraw/zinc/12/11/43/690121143.db2.gz QPJOAXOKTJXUBJ-LJQANCHMSA-N 1 0 318.461 2.385 20 10 DECDRO COC(=O)c1[nH]c(C[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000877527437 690141391 /nfs/dbraw/zinc/14/13/91/690141391.db2.gz ZUPKSGFCMIAWMK-UHFFFAOYSA-N 1 0 304.346 2.114 20 10 DECDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877539957 690145542 /nfs/dbraw/zinc/14/55/42/690145542.db2.gz QZQPFTVRWAAMPB-INIZCTEOSA-N 1 0 319.493 2.466 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000877576722 690156630 /nfs/dbraw/zinc/15/66/30/690156630.db2.gz OTLKSWUYIJZKDY-CZUORRHYSA-N 1 0 301.390 2.444 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000877637366 690175402 /nfs/dbraw/zinc/17/54/02/690175402.db2.gz SOJGCKSUAWFVSB-GOSISDBHSA-N 1 0 304.434 2.306 20 10 DECDRO COC(=O)C1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000877721216 690203724 /nfs/dbraw/zinc/20/37/24/690203724.db2.gz JQYIAGVUGCNZCU-UHFFFAOYSA-N 1 0 314.179 2.196 20 10 DECDRO C[NH+]1CCN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000877746128 690213344 /nfs/dbraw/zinc/21/33/44/690213344.db2.gz ISSBKNXDLYDKRR-UHFFFAOYSA-N 1 0 323.868 2.257 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000877774916 690222238 /nfs/dbraw/zinc/22/22/38/690222238.db2.gz QWYXXFHCRQWGBG-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCn3nccc32)cc1OC ZINC000877778821 690225171 /nfs/dbraw/zinc/22/51/71/690225171.db2.gz UXHBNIUMMPHJQX-GFCCVEGCSA-N 1 0 303.362 2.231 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CC2(O)CCCC2)c1 ZINC000878360320 690388119 /nfs/dbraw/zinc/38/81/19/690388119.db2.gz KOABAWWQCBCONU-QWHCGFSZSA-N 1 0 309.406 2.108 20 10 DECDRO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879649391 690699456 /nfs/dbraw/zinc/69/94/56/690699456.db2.gz PQUCZLGDNXZEDL-PXAZEXFGSA-N 1 0 324.421 2.319 20 10 DECDRO C/C=C(\CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854031 691174548 /nfs/dbraw/zinc/17/45/48/691174548.db2.gz SHSNXQAKGFSWBZ-AYSLTRBKSA-N 1 0 301.434 2.411 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883421669 691504811 /nfs/dbraw/zinc/50/48/11/691504811.db2.gz RTBZDXGMMJSOIG-UHFFFAOYSA-N 1 0 318.465 2.297 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)c(C)n1-c1ccccn1 ZINC000884356502 691717746 /nfs/dbraw/zinc/71/77/46/691717746.db2.gz GYJHNZFGOJXLBU-GJZGRUSLSA-N 1 0 312.417 2.345 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)c(C)n1-c1ccccn1 ZINC000884356501 691717828 /nfs/dbraw/zinc/71/78/28/691717828.db2.gz GYJHNZFGOJXLBU-CABCVRRESA-N 1 0 312.417 2.345 20 10 DECDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000886788573 692190733 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CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N(C)C)c(OC)c1 ZINC001138389266 796211234 /nfs/dbraw/zinc/21/12/34/796211234.db2.gz HTJWIWNEGRDVQO-UHFFFAOYSA-N 1 0 321.465 2.452 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1=O ZINC001138496058 796227294 /nfs/dbraw/zinc/22/72/94/796227294.db2.gz OFVSKXUXICTQKH-OAHLLOKOSA-N 1 0 302.418 2.324 20 10 DECDRO COc1cc(CN2CCC(F)(F)C2)cc(C[NH+](C)C)c1O ZINC001139253411 796348963 /nfs/dbraw/zinc/34/89/63/796348963.db2.gz UUYWXBUJDDEQFS-UHFFFAOYSA-N 1 0 300.349 2.303 20 10 DECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140098416 796476764 /nfs/dbraw/zinc/47/67/64/796476764.db2.gz AUXGKJVWNCSBJW-ZJUUUORDSA-N 1 0 300.196 2.357 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140098599 796477196 /nfs/dbraw/zinc/47/71/96/796477196.db2.gz HBEBFRYDADIYBW-ZDUSSCGKSA-N 1 0 300.196 2.359 20 10 DECDRO Cc1ccc(C)c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1O ZINC001140178934 796486820 /nfs/dbraw/zinc/48/68/20/796486820.db2.gz DDANMDWQCOSTCN-CALCHBBNSA-N 1 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CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001203550185 800077113 /nfs/dbraw/zinc/07/71/13/800077113.db2.gz KOZKCTNIMQYETI-GUYCJALGSA-N 1 0 304.390 2.491 20 10 DECDRO COc1ccc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c(O)c1 ZINC001203623522 800093318 /nfs/dbraw/zinc/09/33/18/800093318.db2.gz SZLLAGFLKILYHP-UHFFFAOYSA-N 1 0 302.418 2.319 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001203635189 800097657 /nfs/dbraw/zinc/09/76/57/800097657.db2.gz OAQAIQXHNPJGIW-HNNXBMFYSA-N 1 0 315.373 2.153 20 10 DECDRO O=C1CC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC(=O)N1 ZINC001203663706 800102220 /nfs/dbraw/zinc/10/22/20/800102220.db2.gz DRQXWCXRFNTXFA-UHFFFAOYSA-N 1 0 322.792 2.064 20 10 DECDRO CCN1CC[C@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001203672737 800103421 /nfs/dbraw/zinc/10/34/21/800103421.db2.gz CSEREXFOEXRFQC-SFHVURJKSA-N 1 0 318.417 2.235 20 10 DECDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)ncn1 ZINC001203882253 800140048 /nfs/dbraw/zinc/14/00/48/800140048.db2.gz ALLXIPLHQGJKRX-CQSZACIVSA-N 1 0 315.373 2.240 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC)C2)cc1 ZINC001203945782 800149811 /nfs/dbraw/zinc/14/98/11/800149811.db2.gz ODUPXZHBJJTZFK-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c2ccccc21 ZINC001204235202 800192769 /nfs/dbraw/zinc/19/27/69/800192769.db2.gz JROXPDMQJPFNPN-LJQANCHMSA-N 1 0 314.429 2.489 20 10 DECDRO O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204275818 800199105 /nfs/dbraw/zinc/19/91/05/800199105.db2.gz CCTWAHCOSXWQMH-CABCVRRESA-N 1 0 310.353 2.266 20 10 DECDRO COc1cc(C[NH+]2CCC(n3nccc3C)CC2)cc(O)c1O ZINC001204348305 800207192 /nfs/dbraw/zinc/20/71/92/800207192.db2.gz BJVWGHGACLZTML-UHFFFAOYSA-N 1 0 317.389 2.448 20 10 DECDRO CCCCC[NH+]1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204343806 800207273 /nfs/dbraw/zinc/20/72/73/800207273.db2.gz ASDZWYGRWPFOMU-UHFFFAOYSA-N 1 0 308.422 2.414 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206244756 800496264 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COc1cc(C[N@H+](CCO)Cc2ccccc2)c(O)cc1O ZINC001231632895 801700279 /nfs/dbraw/zinc/70/02/79/801700279.db2.gz JKEQCXOMGDPWMK-UHFFFAOYSA-N 1 0 303.358 2.101 20 10 DECDRO COc1cc(C[NH+]2CCC(c3ncccn3)CC2)c(O)cc1O ZINC001231635317 801701044 /nfs/dbraw/zinc/70/10/44/801701044.db2.gz GNZXGIFCXVKDTO-UHFFFAOYSA-N 1 0 315.373 2.276 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)cc1Cl ZINC001232266994 801832707 /nfs/dbraw/zinc/83/27/07/801832707.db2.gz HGUZISZJQSQPCR-UHFFFAOYSA-N 1 0 314.788 2.369 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc1Cl ZINC001232264598 801833481 /nfs/dbraw/zinc/83/34/81/801833481.db2.gz JOBPCCYGRJIPMO-NSHDSACASA-N 1 0 321.764 2.195 20 10 DECDRO COc1cc(O)c(CN2C[C@H](F)C[C@H](CO)C2)cc1Cl ZINC001232266069 801833653 /nfs/dbraw/zinc/83/36/53/801833653.db2.gz IJDKZZZFIMMIAZ-GXSJLCMTSA-N 1 0 303.761 2.207 20 10 DECDRO CCN(CC[NH+](C)C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401088 801870003 /nfs/dbraw/zinc/87/00/03/801870003.db2.gz FFMXWNJIHHGQCC-UHFFFAOYSA-N 1 0 317.433 2.348 20 10 DECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232839968 801969813 /nfs/dbraw/zinc/96/98/13/801969813.db2.gz YWFMANLKIBJYKA-OCCSQVGLSA-N 1 0 306.406 2.232 20 10 DECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232840660 801969821 /nfs/dbraw/zinc/96/98/21/801969821.db2.gz FPXYRRBDNIVZLF-NOLJZWGESA-N 1 0 318.417 2.232 20 10 DECDRO CCNC(=O)OC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840685 801970008 /nfs/dbraw/zinc/97/00/08/801970008.db2.gz GWKLTPBRVFZBTC-UHFFFAOYSA-N 1 0 321.421 2.169 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC001232840991 801971158 /nfs/dbraw/zinc/97/11/58/801971158.db2.gz PIUUYUQXRVOTFV-GOSISDBHSA-N 1 0 313.401 2.427 20 10 DECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455789 802121068 /nfs/dbraw/zinc/12/10/68/802121068.db2.gz YSEWIELOLFMLQE-GFCCVEGCSA-N 1 0 302.296 2.121 20 10 DECDRO COCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233453122 802121764 /nfs/dbraw/zinc/12/17/64/802121764.db2.gz WDKOUBFFMAEKQB-UHFFFAOYSA-N 1 0 318.339 2.175 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)ccc21 ZINC001218149709 802147501 /nfs/dbraw/zinc/14/75/01/802147501.db2.gz UAEMIIATNMUHGN-HRBWSGTNSA-N 1 0 319.360 2.449 20 10 DECDRO COC(=O)N(C)CC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC001328027607 1148702426 /nfs/dbraw/zinc/70/24/26/1148702426.db2.gz WQAGDEVTCIZJML-UHFFFAOYSA-N 1 0 303.362 2.070 20 10 DECDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC001331502945 1149489641 /nfs/dbraw/zinc/48/96/41/1149489641.db2.gz WPHOAMHZJONSJW-ZDUSSCGKSA-N 1 0 319.279 2.274 20 10 DECDRO C[C@@H]1CC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001335542805 1150447947 /nfs/dbraw/zinc/44/79/47/1150447947.db2.gz IMDSCOWWWVKALL-COXVUDFISA-N 1 0 318.465 2.453 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H]([NH3+])C3)ccc21 ZINC001346419708 1150984175 /nfs/dbraw/zinc/98/41/75/1150984175.db2.gz VAPOELGBBHQGRN-GASCZTMLSA-N 1 0 315.417 2.124 20 10 DECDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001604339605 1070339615 /nfs/dbraw/zinc/33/96/15/1070339615.db2.gz ZYZBWFYMQXMCHH-LBPRGKRZSA-N 1 0 306.406 2.473 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725221 1148828825 /nfs/dbraw/zinc/82/88/25/1148828825.db2.gz ALCOHVHYIOOWIF-BDAKNGLRSA-N 1 0 320.311 2.118 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC001462598854 1058859275 /nfs/dbraw/zinc/85/92/75/1058859275.db2.gz YOJWYIAANBFLCW-YOEHRIQHSA-N 1 0 305.466 2.240 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCN(C)CC(F)(F)F)cc1F ZINC001473995672 1060792266 /nfs/dbraw/zinc/79/22/66/1060792266.db2.gz RCVASXIGYVBKOH-UHFFFAOYSA-N 1 0 307.335 2.475 20 10 DECDRO CN1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001329065984 1148862378 /nfs/dbraw/zinc/86/23/78/1148862378.db2.gz CLJLRKOJNQWEGB-QGZVFWFLSA-N 1 0 301.434 2.339 20 10 DECDRO C[N@H+](CCCF)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001479815632 1061831084 /nfs/dbraw/zinc/83/10/84/1061831084.db2.gz HASAYCFFRRRMOQ-UHFFFAOYSA-N 1 0 323.372 2.260 20 10 DECDRO CC[C@H](OC)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507055297 1062748369 /nfs/dbraw/zinc/74/83/69/1062748369.db2.gz FNJIYDQACMBBIU-HOCLYGCPSA-N 1 0 322.449 2.365 20 10 DECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001621235003 1078171581 /nfs/dbraw/zinc/17/15/81/1078171581.db2.gz NBNIVGGVSOMBCT-MNOVXSKESA-N 1 0 311.378 2.087 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001630224346 1078335686 /nfs/dbraw/zinc/33/56/86/1078335686.db2.gz XYOSYOOCFJYXNY-ZIAGYGMSSA-N 1 0 315.377 2.206 20 10 DECDRO C[C@H]1CN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001620780669 1066674270 /nfs/dbraw/zinc/67/42/70/1066674270.db2.gz VZHLLMHTVDOBGY-INIZCTEOSA-N 1 0 303.450 2.097 20 10 DECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](C)[NH2+]1 ZINC001576771438 1066685802 /nfs/dbraw/zinc/68/58/02/1066685802.db2.gz DNVFXMQWKYLMGW-PHIMTYICSA-N 1 0 314.480 2.017 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC001577699689 1066908254 /nfs/dbraw/zinc/90/82/54/1066908254.db2.gz UHZZAVRHENHNBD-CJNGLKHVSA-N 1 0 304.438 2.082 20 10 DECDRO COc1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1Cn1cccn1 ZINC001579216307 1067261525 /nfs/dbraw/zinc/26/15/25/1067261525.db2.gz NJHIVDVICHGPRE-AWEZNQCLSA-N 1 0 324.375 2.012 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001579230278 1067265785 /nfs/dbraw/zinc/26/57/85/1067265785.db2.gz DDMIWAACAXJITF-SRVKXCTJSA-N 1 0 307.394 2.031 20 10 DECDRO [NH3+]C1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001580190138 1067519806 /nfs/dbraw/zinc/51/98/06/1067519806.db2.gz VYCUYRCDJZZAAR-UHFFFAOYSA-N 1 0 318.248 2.212 20 10 DECDRO Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c(O)c1O ZINC001642418394 1078754126 /nfs/dbraw/zinc/75/41/26/1078754126.db2.gz YYRPEFZGKYSNGH-CHWSQXEVSA-N 1 0 304.390 2.009 20 10 DECDRO COc1cc(N(C)CCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC001643129741 1078786303 /nfs/dbraw/zinc/78/63/03/1078786303.db2.gz GPQHWRKKOCAJBT-UHFFFAOYSA-N 1 0 311.382 2.390 20 10 DECDRO [NH3+]Cc1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC001515608412 1068887374 /nfs/dbraw/zinc/88/73/74/1068887374.db2.gz ZGWOSKVZHNOKNS-UHFFFAOYSA-N 1 0 301.781 2.277 20 10 DECDRO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001573719943 1069080509 /nfs/dbraw/zinc/08/05/09/1069080509.db2.gz QPNCDYIMVAYJMY-JKSUJKDBSA-N 1 0 318.465 2.425 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001521687198 1069262920 /nfs/dbraw/zinc/26/29/20/1069262920.db2.gz SBBYDCMRPHNSHJ-ISTRZQFTSA-N 1 0 318.417 2.185 20 10 DECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001648725505 1075007881 /nfs/dbraw/zinc/00/78/81/1075007881.db2.gz SXXWZTCSXBVZMI-LLVKDONJSA-N 1 0 303.366 2.063 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001556122235 1075018920 /nfs/dbraw/zinc/01/89/20/1075018920.db2.gz GOHUPOICAVYJRO-OWNNVSBGSA-N 1 0 304.390 2.100 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(C(N)=O)nc2)cc1 ZINC001560393235 1075139289 /nfs/dbraw/zinc/13/92/89/1075139289.db2.gz QFCDURXIOWMXIF-ONEGZZNKSA-N 1 0 310.401 2.050 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCCC2)c(O)c1OC ZINC001560788184 1075146434 /nfs/dbraw/zinc/14/64/34/1075146434.db2.gz MPMJAZBAMOXITG-CQSZACIVSA-N 1 0 309.406 2.440 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](OC)C(C)C)cc1C ZINC001567050533 1075422782 /nfs/dbraw/zinc/42/27/82/1075422782.db2.gz BQSCCZPRCDTJBL-YOEHRIQHSA-N 1 0 322.449 2.269 20 10 DECDRO C[C@@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589970262 1076539754 /nfs/dbraw/zinc/53/97/54/1076539754.db2.gz KAIATYARKISOLW-GFCCVEGCSA-N 1 0 323.404 2.179 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC001591600468 1076763170 /nfs/dbraw/zinc/76/31/70/1076763170.db2.gz PVEMQFBESCCZDA-UHFFFAOYSA-N 1 0 309.373 2.474 20 10 DECDRO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)ccc1-c1nn[nH]n1 ZINC001591965463 1076818487 /nfs/dbraw/zinc/81/84/87/1076818487.db2.gz TZBYBLKWKFCVAQ-UHFFFAOYSA-N 1 0 307.357 2.397 20 10 DECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001652110630 1079852393 /nfs/dbraw/zinc/85/23/93/1079852393.db2.gz GTHQYYCEPFNWSX-HNNXBMFYSA-N 1 0 315.797 2.228 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@H]2C(=O)OC)cc1C ZINC001652793319 1079897417 /nfs/dbraw/zinc/89/74/17/1079897417.db2.gz BSTMALQAKOVBGO-GOEBONIOSA-N 1 0 307.390 2.204 20 10 DECDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001655899057 1080025171 /nfs/dbraw/zinc/02/51/71/1080025171.db2.gz SAJCFDXAITXGHV-WBVHZDCISA-N 1 0 304.434 2.428 20 10 DECDRO CCOCc1cc(C[NH2+]CCC2(C)OCCO2)ccc1OC ZINC001656066112 1080032744 /nfs/dbraw/zinc/03/27/44/1080032744.db2.gz JKAXAANOXVEIAY-UHFFFAOYSA-N 1 0 309.406 2.474 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCCN2CCCCC2=O)cc1F ZINC001656384721 1080082851 /nfs/dbraw/zinc/08/28/51/1080082851.db2.gz ABMWOPYHNMFKBV-UHFFFAOYSA-N 1 0 307.413 2.384 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(CO)cs3)C2)cc1 ZINC001656609969 1080106712 /nfs/dbraw/zinc/10/67/12/1080106712.db2.gz CFOQYFPGDPUHHL-GFCCVEGCSA-N 1 0 319.430 2.013 20 10 DECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001656891447 1080135212 /nfs/dbraw/zinc/13/52/12/1080135212.db2.gz PQLHBGFLDZDYGV-MRXNPFEDSA-N 1 0 301.434 2.387 20 10 DECDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657043363 1080149562 /nfs/dbraw/zinc/14/95/62/1080149562.db2.gz RCCXXPLUAKOAAK-AWEZNQCLSA-N 1 0 309.429 2.092 20 10 DECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001658078232 1080195310 /nfs/dbraw/zinc/19/53/10/1080195310.db2.gz YXVWRDBQEPDVKM-SWLSCSKDSA-N 1 0 310.825 2.341 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CC(=O)N(C)C1=O ZINC001658980961 1080225101 /nfs/dbraw/zinc/22/51/01/1080225101.db2.gz OVGGUNVPMCWPQM-INIZCTEOSA-N 1 0 317.433 2.030 20 10 DECDRO COc1cc(C)c(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001659053957 1080228516 /nfs/dbraw/zinc/22/85/16/1080228516.db2.gz MLKYIWLIYYJXGD-GASCZTMLSA-N 1 0 322.449 2.250 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@H]2CCO[C@H]2C(=O)OC)cc1C ZINC001660513949 1080349060 /nfs/dbraw/zinc/34/90/60/1080349060.db2.gz VXQYWMAVPFQFPC-NVXWUHKLSA-N 1 0 321.417 2.452 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ocnc2C)cc1C ZINC001662189224 1080579217 /nfs/dbraw/zinc/57/92/17/1080579217.db2.gz BBLNRFCURUFLBO-GFCCVEGCSA-N 1 0 317.389 2.208 20 10 DECDRO CC[C@H](CNC(=O)[C@H]1CCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665765921 1081079292 /nfs/dbraw/zinc/07/92/92/1081079292.db2.gz QJEKIVFYRAHVKA-JKSUJKDBSA-N 1 0 320.433 2.025 20 10 DECDRO CC[C@H](CNC(=O)CC(C)(C)O)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665782865 1081081504 /nfs/dbraw/zinc/08/15/04/1081081504.db2.gz WBOLJNYOEDSEHQ-OAHLLOKOSA-N 1 0 322.449 2.149 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCO2)cc1C ZINC001482253239 1081405899 /nfs/dbraw/zinc/40/58/99/1081405899.db2.gz KMSMTFGPBGUHLW-YOEHRIQHSA-N 1 0 320.433 2.119 20 10 DECDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477132 /nfs/dbraw/zinc/47/71/32/1083477132.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 1 0 306.406 2.111 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@@H](C[N+](=O)[O-])C3CC3)cc2)CC1 ZINC001234658086 1084190752 /nfs/dbraw/zinc/19/07/52/1084190752.db2.gz TVXCDDRFQYXWKR-KRWDZBQOSA-N 1 0 319.405 2.263 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCOC[C@H]3F)cc2)CC1 ZINC001234661619 1084191637 /nfs/dbraw/zinc/19/16/37/1084191637.db2.gz VVDYVOJAVKZQCJ-SJORKVTESA-N 1 0 308.397 2.334 20 10 DECDRO CN(C)c1ccc(CN2CCNC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001234980620 1084259303 /nfs/dbraw/zinc/25/93/03/1084259303.db2.gz HCAIXINLWQRTMU-HXUWFJFHSA-N 1 0 324.472 2.043 20 10 DECDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(O)cc1Br ZINC001235394082 1084416897 /nfs/dbraw/zinc/41/68/97/1084416897.db2.gz WTFLWZVXZFMNQO-TXEJJXNPSA-N 1 0 311.223 2.399 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CCOCC1 ZINC001116707016 1084493227 /nfs/dbraw/zinc/49/32/27/1084493227.db2.gz RETKSGRQPWDCEN-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO CC1(C)C[NH2+]CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001235827015 1084540994 /nfs/dbraw/zinc/54/09/94/1084540994.db2.gz GYYIJGRDDHLFCA-UHFFFAOYSA-N 1 0 304.312 2.475 20 10 DECDRO [NH3+][C@]12CC[C@H]1CN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001235991392 1084583570 /nfs/dbraw/zinc/58/35/70/1084583570.db2.gz PDCARJGODQKENY-YOEHRIQHSA-N 1 0 321.852 2.100 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3C[C@H]4CC[C@@]4([NH3+])C3)ccc2O1 ZINC001235994107 1084584059 /nfs/dbraw/zinc/58/40/59/1084584059.db2.gz NHEDQGWAQXKBIL-FZKQIMNGSA-N 1 0 300.402 2.500 20 10 DECDRO Cc1cc(O)c(CN(C2CC2)C2C[NH2+]C2)cc1Br ZINC001236064024 1084601380 /nfs/dbraw/zinc/60/13/80/1084601380.db2.gz OHRQHZJXIZHKIG-UHFFFAOYSA-N 1 0 311.223 2.399 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)C[C@@H]1CCC[NH2+]1 ZINC001236122671 1084617258 /nfs/dbraw/zinc/61/72/58/1084617258.db2.gz XPRGMPQYXHOADX-HNNXBMFYSA-N 1 0 323.868 2.360 20 10 DECDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001272981896 1085775543 /nfs/dbraw/zinc/77/55/43/1085775543.db2.gz BHCHZAPNFBPEGC-GOSISDBHSA-N 1 0 318.417 2.178 20 10 DECDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001626112001 1091560185 /nfs/dbraw/zinc/56/01/85/1091560185.db2.gz VLJVBXSXZHBDLV-LBPRGKRZSA-N 1 0 317.393 2.311 20 10 DECDRO Cc1cc(Cl)cc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c1O ZINC001236168778 1138336747 /nfs/dbraw/zinc/33/67/47/1138336747.db2.gz XJTCSQRITALSFM-CQSZACIVSA-N 1 0 310.825 2.043 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1OC ZINC001236749546 1138408062 /nfs/dbraw/zinc/40/80/62/1138408062.db2.gz GTVXJOMCECCEBB-SJKOYZFVSA-N 1 0 309.406 2.392 20 10 DECDRO CO[C@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236768568 1138420880 /nfs/dbraw/zinc/42/08/80/1138420880.db2.gz QQNZDSYXLAEYSU-VIFPVBQESA-N 1 0 302.168 2.081 20 10 DECDRO COC[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236769770 1138423245 /nfs/dbraw/zinc/42/32/45/1138423245.db2.gz YRKKNFCCRNKWQW-SECBINFHSA-N 1 0 316.195 2.329 20 10 DECDRO CCc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c(O)c1 ZINC001236788150 1138428818 /nfs/dbraw/zinc/42/88/18/1138428818.db2.gz SEAAZZNTYUHJGM-IRXDYDNUSA-N 1 0 324.428 2.313 20 10 DECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236822227 1138440112 /nfs/dbraw/zinc/44/01/12/1138440112.db2.gz YSHUMZARCGYOLY-CYBMUJFWSA-N 1 0 307.390 2.484 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236838677 1138442817 /nfs/dbraw/zinc/44/28/17/1138442817.db2.gz ZHMTWCYFROHBHK-UHFFFAOYSA-N 1 0 315.369 2.045 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c1 ZINC001237042973 1138487145 /nfs/dbraw/zinc/48/71/45/1138487145.db2.gz LOONTAPCDVGZQL-UHFFFAOYSA-N 1 0 308.397 2.409 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(O)CC1 ZINC001237051780 1138490640 /nfs/dbraw/zinc/49/06/40/1138490640.db2.gz QOFONJZCRVITRX-UHFFFAOYSA-N 1 0 305.296 2.290 20 10 DECDRO CC1(C)CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237205273 1138533595 /nfs/dbraw/zinc/53/35/95/1138533595.db2.gz HUIGGUNDMXFUGG-UHFFFAOYSA-N 1 0 322.474 2.153 20 10 DECDRO CCn1nnc2c1CCN(Cc1c(C)cccc1O)[C@@H]2COC ZINC001237486176 1138654292 /nfs/dbraw/zinc/65/42/92/1138654292.db2.gz OXRFWPWDCLYAGL-OAHLLOKOSA-N 1 0 316.405 2.058 20 10 DECDRO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001237675737 1138747905 /nfs/dbraw/zinc/74/79/05/1138747905.db2.gz GBDFJSKKOKXZOO-AWEZNQCLSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(O)c(OC)c1 ZINC001237684769 1138755921 /nfs/dbraw/zinc/75/59/21/1138755921.db2.gz QNUVQWSWXHVHAC-ZDUSSCGKSA-N 1 0 323.389 2.137 20 10 DECDRO CC(C)(O)C[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237940514 1138811549 /nfs/dbraw/zinc/81/15/49/1138811549.db2.gz AAVQLQRZAYSDBK-UHFFFAOYSA-N 1 0 316.804 2.073 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001238067287 1138819526 /nfs/dbraw/zinc/81/95/26/1138819526.db2.gz RHABDEQTASGNKB-CQSZACIVSA-N 1 0 303.337 2.283 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1cn[nH]c1 ZINC001319732813 1140698310 /nfs/dbraw/zinc/69/83/10/1140698310.db2.gz KGVUOLBVCXPCIT-CYBMUJFWSA-N 1 0 317.412 2.151 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(O)cc1C ZINC001319798518 1140722117 /nfs/dbraw/zinc/72/21/17/1140722117.db2.gz IOBWWNHUHUMBHA-ZDUSSCGKSA-N 1 0 318.417 2.200 20 10 DECDRO Cc1ccc(NC[C@]2(O)CC[NH2+]C2)c(C(=O)c2ccccc2)c1 ZINC001245977839 1140840764 /nfs/dbraw/zinc/84/07/64/1140840764.db2.gz KEZZNAXVEIFLJU-IBGZPJMESA-N 1 0 310.397 2.362 20 10 DECDRO CCN(CC[NH+]1CCCC1)Cc1ccc(CC(=O)OC)cc1O ZINC001249201097 1141858958 /nfs/dbraw/zinc/85/89/58/1141858958.db2.gz FFWRTZPIMHALRX-UHFFFAOYSA-N 1 0 320.433 2.025 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249208107 1141859961 /nfs/dbraw/zinc/85/99/61/1141859961.db2.gz MTPWPLCTZKNKJI-INIZCTEOSA-N 1 0 320.433 2.024 20 10 DECDRO COC(=O)C1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249224262 1141862086 /nfs/dbraw/zinc/86/20/86/1141862086.db2.gz WSMPMMNGKZOPRJ-UHFFFAOYSA-N 1 0 303.358 2.181 20 10 DECDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252886 1141865110 /nfs/dbraw/zinc/86/51/10/1141865110.db2.gz ZFKVXFYONPMCBA-KBPBESRZSA-N 1 0 300.402 2.465 20 10 DECDRO Cc1cc(CN(C)CC[NH+](C)C)c(O)cc1Br ZINC001250117814 1142083311 /nfs/dbraw/zinc/08/33/11/1142083311.db2.gz RZIACCIHCLIHDM-UHFFFAOYSA-N 1 0 301.228 2.457 20 10 DECDRO Nc1ccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC001336755369 1142560718 /nfs/dbraw/zinc/56/07/18/1142560718.db2.gz IFFJHRRFFTUBDB-UHFFFAOYSA-N 1 0 324.428 2.126 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC001336878678 1142611298 /nfs/dbraw/zinc/61/12/98/1142611298.db2.gz DNMPBWXBFJXCCE-DOMZBBRYSA-N 1 0 304.438 2.111 20 10 DECDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(N)cc2)c1 ZINC001337838735 1142804581 /nfs/dbraw/zinc/80/45/81/1142804581.db2.gz RSWAESDHRRKPDN-UHFFFAOYSA-N 1 0 316.401 2.281 20 10 DECDRO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC001252904902 1142828665 /nfs/dbraw/zinc/82/86/65/1142828665.db2.gz IHAJGDUCVSQISN-KBPBESRZSA-N 1 0 317.385 2.491 20 10 DECDRO C[NH2+]CCN(C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC001338492593 1142859340 /nfs/dbraw/zinc/85/93/40/1142859340.db2.gz VBPJQACBPSIYBV-UHFFFAOYSA-N 1 0 318.465 2.208 20 10 DECDRO Oc1ccccc1C[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253291911 1142861457 /nfs/dbraw/zinc/86/14/57/1142861457.db2.gz OHAIEOWYELEGPQ-KRWDZBQOSA-N 1 0 301.386 2.450 20 10 DECDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253699269 1142893402 /nfs/dbraw/zinc/89/34/02/1142893402.db2.gz JYWGAGVGWUXWAZ-INIZCTEOSA-N 1 0 320.433 2.079 20 10 DECDRO OCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001255461096 1143642707 /nfs/dbraw/zinc/64/27/07/1143642707.db2.gz OBKTUMAFYZKYQS-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCC(CO)CC2)cc1 ZINC001261365888 1144238811 /nfs/dbraw/zinc/23/88/11/1144238811.db2.gz BDVBAIFELLBIKO-ONEGZZNKSA-N 1 0 317.477 2.060 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC001261763696 1144275229 /nfs/dbraw/zinc/27/52/29/1144275229.db2.gz KQIYTXRUKQJKJD-OLZOCXBDSA-N 1 0 306.406 2.358 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001262591044 1144322068 /nfs/dbraw/zinc/32/20/68/1144322068.db2.gz DKPPUMYRMXLVJZ-FRRDWIJNSA-N 1 0 321.421 2.007 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC1CCOCC1 ZINC001324670637 1147828676 /nfs/dbraw/zinc/82/86/76/1147828676.db2.gz YAANNWASEZLLMA-INIZCTEOSA-N 1 0 305.418 2.136 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CN(C)C(=O)O2)C2CC2)cc1 ZINC001324926829 1147858850 /nfs/dbraw/zinc/85/88/50/1147858850.db2.gz BBFCFRHCPQSXKQ-INIZCTEOSA-N 1 0 303.406 2.168 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000090885698 355569092 /nfs/dbraw/zinc/56/90/92/355569092.db2.gz XBTBMRQICZAPSS-GUYCJALGSA-N 1 0 302.422 2.260 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000093454971 355682712 /nfs/dbraw/zinc/68/27/12/355682712.db2.gz FQXPVSDEKGRSIG-KRWDZBQOSA-N 1 0 315.417 2.380 20 10 DECDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183414473 283368768 /nfs/dbraw/zinc/36/87/68/283368768.db2.gz HXKRCYUXRNHZAD-CQSZACIVSA-N 1 0 319.449 2.033 20 10 DECDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183248 299280619 /nfs/dbraw/zinc/28/06/19/299280619.db2.gz GRMHJRAKSCJPJM-ZDUSSCGKSA-N 1 0 310.463 2.228 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000093614047 193273576 /nfs/dbraw/zinc/27/35/76/193273576.db2.gz BCDRZFMYILVYSD-HZPDHXFCSA-N 1 0 321.417 2.153 20 10 DECDRO COC[C@@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294930612 224319430 /nfs/dbraw/zinc/31/94/30/224319430.db2.gz BGNFWYFBTZXCMH-INIZCTEOSA-N 1 0 320.458 2.481 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(O)c1C ZINC000273297341 130103869 /nfs/dbraw/zinc/10/38/69/130103869.db2.gz AKMONKDIDDXFKR-SNVBAGLBSA-N 1 0 304.312 2.338 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273550460 130135493 /nfs/dbraw/zinc/13/54/93/130135493.db2.gz FVURMRDBVTUVGF-KPZWWZAWSA-N 1 0 315.417 2.389 20 10 DECDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279265317 130741075 /nfs/dbraw/zinc/74/10/75/130741075.db2.gz MTNRHWWRCSQZKL-YOEHRIQHSA-N 1 0 303.450 2.489 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c(O)c1 ZINC000284311221 131068240 /nfs/dbraw/zinc/06/82/40/131068240.db2.gz JLKXPDHFOWVVBK-AEFFLSMTSA-N 1 0 320.433 2.086 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c1C ZINC000286924680 131255689 /nfs/dbraw/zinc/25/56/89/131255689.db2.gz FVNLKZURFWSVIA-KBPBESRZSA-N 1 0 311.447 2.484 20 10 DECDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000085354920 401914330 /nfs/dbraw/zinc/91/43/30/401914330.db2.gz BCPSZTRGVVEBDH-YOEHRIQHSA-N 1 0 318.465 2.234 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)cc1F ZINC000093899027 402021254 /nfs/dbraw/zinc/02/12/54/402021254.db2.gz DCVNLXCABRJLNX-CYBMUJFWSA-N 1 0 309.429 2.486 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(N(C)C(C)=O)CC2)c1 ZINC000092538808 402006073 /nfs/dbraw/zinc/00/60/73/402006073.db2.gz OFZWIVGRWFATFK-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)OCO2 ZINC000123744543 402143949 /nfs/dbraw/zinc/14/39/49/402143949.db2.gz AQMCJECYQYNFRB-RNCFNFMXSA-N 1 0 319.279 2.009 20 10 DECDRO CCC(=O)N1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000124260380 402171473 /nfs/dbraw/zinc/17/14/73/402171473.db2.gz KWNDKAUKCUWPKO-UHFFFAOYSA-N 1 0 307.413 2.336 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000177676793 402425800 /nfs/dbraw/zinc/42/58/00/402425800.db2.gz ZHKOKINLVQBWGQ-UHFFFAOYSA-N 1 0 306.406 2.401 20 10 DECDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178269587 402478112 /nfs/dbraw/zinc/47/81/12/402478112.db2.gz TVSRHRFGYQRPKW-CYBMUJFWSA-N 1 0 308.397 2.492 20 10 DECDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1O ZINC000179564093 402594170 /nfs/dbraw/zinc/59/41/70/402594170.db2.gz CXBNIPIOERCVKF-LBPRGKRZSA-N 1 0 320.414 2.233 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1C ZINC000174378987 402738489 /nfs/dbraw/zinc/73/84/89/402738489.db2.gz NZANDOSAEOQJSP-ZDUSSCGKSA-N 1 0 302.374 2.397 20 10 DECDRO COCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278468195 402866500 /nfs/dbraw/zinc/86/65/00/402866500.db2.gz GNMDWRUENQLIIS-UHFFFAOYSA-N 1 0 308.334 2.088 20 10 DECDRO COc1c([O-])c(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278530540 402867484 /nfs/dbraw/zinc/86/74/84/402867484.db2.gz VCFDLMIJODCAPV-UHFFFAOYSA-N 1 0 323.393 2.131 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC000278786240 402870938 /nfs/dbraw/zinc/87/09/38/402870938.db2.gz YBIQWIKEILREIU-UHFFFAOYSA-N 1 0 301.434 2.339 20 10 DECDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000281195244 403060297 /nfs/dbraw/zinc/06/02/97/403060297.db2.gz RNNRJSSCQFHJSF-HNNXBMFYSA-N 1 0 310.463 2.371 20 10 DECDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268821626 403117377 /nfs/dbraw/zinc/11/73/77/403117377.db2.gz PJMVSAIACYVZLX-HNNXBMFYSA-N 1 0 314.433 2.379 20 10 DECDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268858138 403120355 /nfs/dbraw/zinc/12/03/55/403120355.db2.gz RJGHXROXSSEKNY-OAHLLOKOSA-N 1 0 305.466 2.250 20 10 DECDRO C[S@@](=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000282347268 403145528 /nfs/dbraw/zinc/14/55/28/403145528.db2.gz MQHXUEPIRLUDHQ-QGZVFWFLSA-N 1 0 318.236 2.155 20 10 DECDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+]1CCCCC1 ZINC000276618968 403191799 /nfs/dbraw/zinc/19/17/99/403191799.db2.gz QNPZXAQHMCPTEF-LLVKDONJSA-N 1 0 310.369 2.089 20 10 DECDRO COC(=O)CC[N@@H+](Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000271102558 403264236 /nfs/dbraw/zinc/26/42/36/403264236.db2.gz RTTOKAMPAGUWJQ-UHFFFAOYSA-N 1 0 309.362 2.142 20 10 DECDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000292483082 403362042 /nfs/dbraw/zinc/36/20/42/403362042.db2.gz VYFIKUSQZADZSS-CYBMUJFWSA-N 1 0 314.433 2.417 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298759233 403457657 /nfs/dbraw/zinc/45/76/57/403457657.db2.gz UMRVKUFTVJFDCG-CABCVRRESA-N 1 0 303.406 2.160 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293540734 403499514 /nfs/dbraw/zinc/49/95/14/403499514.db2.gz KDXQWYQLXFMMHF-UHFFFAOYSA-N 1 0 319.449 2.293 20 10 DECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293864208 403585570 /nfs/dbraw/zinc/58/55/70/403585570.db2.gz UQIBGNDANYGZNC-KRWDZBQOSA-N 1 0 322.424 2.444 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1 ZINC000293897221 403593658 /nfs/dbraw/zinc/59/36/58/403593658.db2.gz KUNBDMKRBCMQKM-BBRMVZONSA-N 1 0 310.463 2.198 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000294191402 403669807 /nfs/dbraw/zinc/66/98/07/403669807.db2.gz XKMGMMAYEQTGPF-QGZVFWFLSA-N 1 0 321.417 2.058 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289832390 404002104 /nfs/dbraw/zinc/00/21/04/404002104.db2.gz UJBXQJXMEPJZRC-AAEUAGOBSA-N 1 0 319.323 2.394 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290207622 404081308 /nfs/dbraw/zinc/08/13/08/404081308.db2.gz VLMJZOISYRYBHF-INIZCTEOSA-N 1 0 324.490 2.447 20 10 DECDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+](C2CC2)C1 ZINC000296098488 404092365 /nfs/dbraw/zinc/09/23/65/404092365.db2.gz RRGRJLSBXZVKKK-GFCCVEGCSA-N 1 0 304.390 2.037 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000317390720 404036759 /nfs/dbraw/zinc/03/67/59/404036759.db2.gz VTMGLCCLRHFEJH-AWEZNQCLSA-N 1 0 321.808 2.402 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000290356988 404139266 /nfs/dbraw/zinc/13/92/66/404139266.db2.gz JFGCYRBWQMBMMO-HOTGVXAUSA-N 1 0 324.428 2.171 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000290430565 404166028 /nfs/dbraw/zinc/16/60/28/404166028.db2.gz LHEFPYXFEUCTAC-HNNXBMFYSA-N 1 0 319.424 2.336 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(F)ccc(O)c1O ZINC000296322825 404194487 /nfs/dbraw/zinc/19/44/87/404194487.db2.gz HFSSFDJOUGHIHY-LLVKDONJSA-N 1 0 310.369 2.231 20 10 DECDRO COCCOCCOCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296579708 404309236 /nfs/dbraw/zinc/30/92/36/404309236.db2.gz VWEKGVFNAWCJIQ-OAHLLOKOSA-N 1 0 309.406 2.039 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000261960025 225259041 /nfs/dbraw/zinc/25/90/41/225259041.db2.gz MJCJJMGXOQYCGO-IUODEOHRSA-N 1 0 312.417 2.298 20 10 DECDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000278606844 225479633 /nfs/dbraw/zinc/47/96/33/225479633.db2.gz IIHNQAYIZQTUOD-QAPCUYQASA-N 1 0 304.434 2.306 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000296574300 226009396 /nfs/dbraw/zinc/00/93/96/226009396.db2.gz QQSOTAFLEZPTTP-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000369139699 227026097 /nfs/dbraw/zinc/02/60/97/227026097.db2.gz KMDQVLIJWZLNQF-MRXNPFEDSA-N 1 0 301.390 2.369 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297404107 227119850 /nfs/dbraw/zinc/11/98/50/227119850.db2.gz SRVHRVREVWGNGS-DOTOQJQBSA-N 1 0 305.466 2.250 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000834901907 649858698 /nfs/dbraw/zinc/85/86/98/649858698.db2.gz BEPMGHHOUXYDBA-GFCCVEGCSA-N 1 0 312.841 2.461 20 10 DECDRO CCN(C)C(=O)[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000364769751 276068138 /nfs/dbraw/zinc/06/81/38/276068138.db2.gz MDLNFLBFKQAPFR-AWEZNQCLSA-N 1 0 319.449 2.120 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347694414 276804218 /nfs/dbraw/zinc/80/42/18/276804218.db2.gz UBIYBQSBLGISAJ-UHFFFAOYSA-N 1 0 323.396 2.395 20 10 DECDRO COc1cccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)c1O ZINC000263650404 333947039 /nfs/dbraw/zinc/94/70/39/333947039.db2.gz DDSKUXHVYHRKJN-UHFFFAOYSA-N 1 0 312.373 2.281 20 10 DECDRO CC(C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](C)[NH3+] ZINC000567052036 341576992 /nfs/dbraw/zinc/57/69/92/341576992.db2.gz KRONGJODHGSEMA-BLLLJJGKSA-N 1 0 305.422 2.097 20 10 DECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000377721187 533903299 /nfs/dbraw/zinc/90/32/99/533903299.db2.gz SRRGRMLUELJSBX-DOMZBBRYSA-N 1 0 310.825 2.341 20 10 DECDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@H+](C)Cc1ccccc1 ZINC000193062504 534045029 /nfs/dbraw/zinc/04/50/29/534045029.db2.gz OETRRZFFQOULAC-ZDUSSCGKSA-N 1 0 314.385 2.348 20 10 DECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(OC)ccc2O)C1(C)C ZINC000188900339 520392893 /nfs/dbraw/zinc/39/28/93/520392893.db2.gz GJPIPJBRGUDMFK-WBVHZDCISA-N 1 0 309.406 2.057 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000236674736 521040973 /nfs/dbraw/zinc/04/09/73/521040973.db2.gz RHLOYAFUFUZWNQ-MRXNPFEDSA-N 1 0 301.434 2.149 20 10 DECDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185029333 521658545 /nfs/dbraw/zinc/65/85/45/521658545.db2.gz DOYNUYZJKOBWAM-CYBMUJFWSA-N 1 0 314.451 2.023 20 10 DECDRO Cc1cccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1O ZINC000180465915 524387519 /nfs/dbraw/zinc/38/75/19/524387519.db2.gz RDKQHEYTINZPON-UHFFFAOYSA-N 1 0 303.406 2.080 20 10 DECDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000182909310 524836828 /nfs/dbraw/zinc/83/68/28/524836828.db2.gz OATMKVWCCFAGJQ-HNNXBMFYSA-N 1 0 324.490 2.446 20 10 DECDRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1O ZINC000370892245 526025810 /nfs/dbraw/zinc/02/58/10/526025810.db2.gz OFRVIOBBZQYISI-UHFFFAOYSA-N 1 0 324.384 2.486 20 10 DECDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273562934 536490117 /nfs/dbraw/zinc/49/01/17/536490117.db2.gz IPOVIYGONZPTRV-VIFPVBQESA-N 1 0 315.211 2.332 20 10 DECDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000290047222 535289371 /nfs/dbraw/zinc/28/93/71/535289371.db2.gz DXKQKLDCLLMEHS-CJNGLKHVSA-N 1 0 307.413 2.142 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(N(C)C)CCOCC2)cc1 ZINC000835041740 649870677 /nfs/dbraw/zinc/87/06/77/649870677.db2.gz ZYFMXBDGLRJTPF-AATRIKPKSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(C(N)=O)CCCC2)cc1 ZINC000835043646 649870890 /nfs/dbraw/zinc/87/08/90/649870890.db2.gz WZNXPLLYTHIACW-AATRIKPKSA-N 1 0 301.434 2.401 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000835043340 649870901 /nfs/dbraw/zinc/87/09/01/649870901.db2.gz PEICIXVVISYUJV-JXCVUKRWSA-N 1 0 304.434 2.145 20 10 DECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330534154 1149181461 /nfs/dbraw/zinc/18/14/61/1149181461.db2.gz VXHBOAIIJLCEKL-FUHWJXTLSA-N 1 0 304.434 2.428 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1 ZINC000841719714 623218259 /nfs/dbraw/zinc/21/82/59/623218259.db2.gz PBOVTRZSPCZEMY-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO Cc1[nH]ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250647 623795251 /nfs/dbraw/zinc/79/52/51/623795251.db2.gz BHBXTYZJFVXXCD-QGZVFWFLSA-N 1 0 314.433 2.422 20 10 DECDRO CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970953550 623831418 /nfs/dbraw/zinc/83/14/18/623831418.db2.gz FSQDXOBXLKLYQN-NSHDSACASA-N 1 0 317.393 2.309 20 10 DECDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000891567087 624479987 /nfs/dbraw/zinc/47/99/87/624479987.db2.gz VMOPSGNUEOSCMI-QGZVFWFLSA-N 1 0 318.465 2.345 20 10 DECDRO CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000891812316 624611634 /nfs/dbraw/zinc/61/16/34/624611634.db2.gz AFBFMSJEUFMRKC-XJKSGUPXSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(N(C)C)cc1 ZINC000891813892 624612801 /nfs/dbraw/zinc/61/28/01/624612801.db2.gz MYZPRLCMPPMCIP-QIIPPGSGSA-N 1 0 316.449 2.065 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000933816129 624627467 /nfs/dbraw/zinc/62/74/67/624627467.db2.gz URYZIFAGDJPWDQ-MRXNPFEDSA-N 1 0 317.433 2.351 20 10 DECDRO CCn1cc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cn1 ZINC000892048717 624760834 /nfs/dbraw/zinc/76/08/34/624760834.db2.gz AVLYVFJVWOJBAQ-UHFFFAOYSA-N 1 0 305.378 2.258 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCC[C@H](C)C2)c(O)c1OC ZINC000892574488 625161908 /nfs/dbraw/zinc/16/19/08/625161908.db2.gz KRVOMUOREYCGDF-ZDUSSCGKSA-N 1 0 308.422 2.231 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1F ZINC000892485759 625873748 /nfs/dbraw/zinc/87/37/48/625873748.db2.gz NISWRHNMCCMTMO-AWEZNQCLSA-N 1 0 322.428 2.127 20 10 DECDRO C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000836622770 650112843 /nfs/dbraw/zinc/11/28/43/650112843.db2.gz FWASXVWTTHCYDD-LBPRGKRZSA-N 1 0 305.422 2.020 20 10 DECDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000312877231 633230034 /nfs/dbraw/zinc/23/00/34/633230034.db2.gz KRJXEUJHKJFLDZ-UHFFFAOYSA-N 1 0 300.786 2.059 20 10 DECDRO O=C1CCC(=O)N1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613402 633246349 /nfs/dbraw/zinc/24/63/49/633246349.db2.gz RQTUAQCWLILTOE-UHFFFAOYSA-N 1 0 316.401 2.286 20 10 DECDRO COCCCNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733614126 633246371 /nfs/dbraw/zinc/24/63/71/633246371.db2.gz YSIFTOFZBBSKDU-UHFFFAOYSA-N 1 0 320.433 2.290 20 10 DECDRO CC(C)[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997392523 633752647 /nfs/dbraw/zinc/75/26/47/633752647.db2.gz SMGSNOPVHBPTMX-UHFFFAOYSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C3CC3)C2)cc1C ZINC000998341964 634221913 /nfs/dbraw/zinc/22/19/13/634221913.db2.gz BGXIQNKQRNFESO-UHFFFAOYSA-N 1 0 302.418 2.493 20 10 DECDRO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c(O)c1OC ZINC000893700581 635894187 /nfs/dbraw/zinc/89/41/87/635894187.db2.gz DPAJUBYVQHNXLE-LLVKDONJSA-N 1 0 324.421 2.144 20 10 DECDRO CCCN(Cc1cnc2n1CCOC2)c1ccc(C[NH3+])cc1 ZINC000894047320 636098565 /nfs/dbraw/zinc/09/85/65/636098565.db2.gz SCXFJUUJIBKYKV-UHFFFAOYSA-N 1 0 300.406 2.289 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1OC ZINC000894051825 636100442 /nfs/dbraw/zinc/10/04/42/636100442.db2.gz UPJHLWTZXCNKCJ-CQSZACIVSA-N 1 0 321.348 2.372 20 10 DECDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922544737 636232606 /nfs/dbraw/zinc/23/26/06/636232606.db2.gz UIFXQSFFBJKDCJ-HNNXBMFYSA-N 1 0 315.369 2.204 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CCc1nc3c(s1)CCC3)OCO2 ZINC000922718297 636345291 /nfs/dbraw/zinc/34/52/91/636345291.db2.gz RQTGQTPJXUABKX-UHFFFAOYSA-N 1 0 318.398 2.398 20 10 DECDRO COc1cc(C)cc(CNc2cnn(CC[NH+](C)C)c2)c1O ZINC000894220448 636488065 /nfs/dbraw/zinc/48/80/65/636488065.db2.gz JRPMFOBCJUUVQM-UHFFFAOYSA-N 1 0 304.394 2.079 20 10 DECDRO COc1cc(C)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1O ZINC000894313459 636813586 /nfs/dbraw/zinc/81/35/86/636813586.db2.gz UFQQYPPTFNLMAQ-UHFFFAOYSA-N 1 0 315.435 2.012 20 10 DECDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(OC)c(OC)c1O ZINC000894743423 637192715 /nfs/dbraw/zinc/19/27/15/637192715.db2.gz HKWDJPZPYHXSAQ-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(O)c1OC ZINC000894792753 637216309 /nfs/dbraw/zinc/21/63/09/637216309.db2.gz DDKABUQXTQCBOR-OLZOCXBDSA-N 1 0 307.390 2.266 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1F ZINC000838029821 637385615 /nfs/dbraw/zinc/38/56/15/637385615.db2.gz RIYWCNOIMRHZGK-UHFFFAOYSA-N 1 0 310.417 2.031 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H]2C[C@@](C)(O)C2)c2cc(F)ccc2n1C ZINC000895025187 637392673 /nfs/dbraw/zinc/39/26/73/637392673.db2.gz PUHJZIXJHXFEBZ-OYHSWFHJSA-N 1 0 320.364 2.107 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000838685895 637621396 /nfs/dbraw/zinc/62/13/96/637621396.db2.gz YBVVSOIMBPGKJF-AWEZNQCLSA-N 1 0 306.454 2.234 20 10 DECDRO COc1c([O-])c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182350 637811688 /nfs/dbraw/zinc/81/16/88/637811688.db2.gz MTEIICRRHMYGIQ-GFCCVEGCSA-N 1 0 323.393 2.131 20 10 DECDRO Oc1cc2c(cc1C[N@H+]1CC[C@@H](O)[C@H](C3CCCC3)C1)OCO2 ZINC000839191681 637815440 /nfs/dbraw/zinc/81/54/40/637815440.db2.gz JKUPVHDYMLVTJY-LSDHHAIUSA-N 1 0 319.401 2.494 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000840889449 650371936 /nfs/dbraw/zinc/37/19/36/650371936.db2.gz GJYFZDWQQYYBSC-ZDUSSCGKSA-N 1 0 309.431 2.184 20 10 DECDRO COc1ccc(N2CC[NH+](CCC3(O)CCC3)CC2)cc1F ZINC000839503628 637898565 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C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000745786079 638289882 /nfs/dbraw/zinc/28/98/82/638289882.db2.gz DOHFIDRYENXQPQ-GXTWGEPZSA-N 1 0 322.428 2.174 20 10 DECDRO CC1(C)[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CS1(=O)=O ZINC000895982471 638296197 /nfs/dbraw/zinc/29/61/97/638296197.db2.gz AMWXOVNRARNMAS-AWEZNQCLSA-N 1 0 305.399 2.211 20 10 DECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000841081181 650424976 /nfs/dbraw/zinc/42/49/76/650424976.db2.gz XRHXXCZUVXOBEZ-LBPRGKRZSA-N 1 0 311.769 2.186 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)c1O ZINC000896411681 638509514 /nfs/dbraw/zinc/50/95/14/638509514.db2.gz QGWXXYAEEOIHFK-DLBZAZTESA-N 1 0 307.390 2.485 20 10 DECDRO C[C@]1(C2CC[NH+](Cc3cc(F)ccc3O)CC2)COC(=O)N1 ZINC000896461065 638535031 /nfs/dbraw/zinc/53/50/31/638535031.db2.gz NDFGIOQWNRVCLQ-MRXNPFEDSA-N 1 0 308.353 2.242 20 10 DECDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000896653309 638626002 /nfs/dbraw/zinc/62/60/02/638626002.db2.gz AIHQVOVMUZZXIN-UHFFFAOYSA-N 1 0 315.377 2.159 20 10 DECDRO CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCC[N@H+](C)C1 ZINC000896673372 638631248 /nfs/dbraw/zinc/63/12/48/638631248.db2.gz QVCHUKQALYXILM-LLVKDONJSA-N 1 0 320.414 2.479 20 10 DECDRO COc1cccc(O)c1C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000753588997 639317383 /nfs/dbraw/zinc/31/73/83/639317383.db2.gz HLYQVQLRHUQEPF-UHFFFAOYSA-N 1 0 306.406 2.280 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2(C3CC3)CC2)cc1 ZINC000754357498 639420331 /nfs/dbraw/zinc/42/03/31/639420331.db2.gz HVJVYNQVBAABRC-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1O ZINC000754724155 639465103 /nfs/dbraw/zinc/46/51/03/639465103.db2.gz ZFOCHVTXCPKOJU-UHFFFAOYSA-N 1 0 314.385 2.440 20 10 DECDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756118610 639627188 /nfs/dbraw/zinc/62/71/88/639627188.db2.gz DXNBTNLGMUFXGT-YOEHRIQHSA-N 1 0 322.474 2.200 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000756478977 639664918 /nfs/dbraw/zinc/66/49/18/639664918.db2.gz KJJFQWNNQXKQKJ-GFCCVEGCSA-N 1 0 315.373 2.475 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756659217 639683595 /nfs/dbraw/zinc/68/35/95/639683595.db2.gz PMGIUZZVYACBAE-UMNHJUIQSA-N 1 0 315.410 2.492 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000756759547 639692008 /nfs/dbraw/zinc/69/20/08/639692008.db2.gz KSRXFUDHPHQDDL-ZIAGYGMSSA-N 1 0 305.422 2.463 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000756864332 639706935 /nfs/dbraw/zinc/70/69/35/639706935.db2.gz XKGKMGUZGKCBTL-QZTJIDSGSA-N 1 0 314.385 2.320 20 10 DECDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000163336652 639736185 /nfs/dbraw/zinc/73/61/85/639736185.db2.gz WLRVIVVUCLASBR-UHFFFAOYSA-N 1 0 306.454 2.234 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCCC[C@@H]2C)c1 ZINC000839538795 639752601 /nfs/dbraw/zinc/75/26/01/639752601.db2.gz GPQSFUHETLVIKX-QWHCGFSZSA-N 1 0 306.406 2.452 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000841656129 650530960 /nfs/dbraw/zinc/53/09/60/650530960.db2.gz WRNXONWBLHSVAX-HOCLYGCPSA-N 1 0 304.438 2.069 20 10 DECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000757919922 639896114 /nfs/dbraw/zinc/89/61/14/639896114.db2.gz NCJZKHSZANGTKT-INIZCTEOSA-N 1 0 311.378 2.231 20 10 DECDRO COc1cc(O)c(C[N@H+](C)Cc2cccc(=O)[nH]2)cc1OC ZINC000897392226 639946462 /nfs/dbraw/zinc/94/64/62/639946462.db2.gz SEACENJHXYGJGM-UHFFFAOYSA-N 1 0 304.346 2.142 20 10 DECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000759294605 640048972 /nfs/dbraw/zinc/04/89/72/640048972.db2.gz VUHIFRZLVZJGEH-KOMQPUFPSA-N 1 0 322.424 2.303 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000841719259 650551411 /nfs/dbraw/zinc/55/14/11/650551411.db2.gz HGYKVEAIZXFFJB-HNNXBMFYSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000841762616 650559439 /nfs/dbraw/zinc/55/94/39/650559439.db2.gz YUBXVZIMTLTGDR-JSGCOSHPSA-N 1 0 322.428 2.018 20 10 DECDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987585247 640229509 /nfs/dbraw/zinc/22/95/09/640229509.db2.gz NURVHUOFZZTRMC-RISCZKNCSA-N 1 0 317.393 2.452 20 10 DECDRO C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593937 640230966 /nfs/dbraw/zinc/23/09/66/640230966.db2.gz HGEOQCKVVZVTDX-ZWNOBZJWSA-N 1 0 321.356 2.011 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCC3(C)OCCO3)CC2)cc1 ZINC000760892116 640240649 /nfs/dbraw/zinc/24/06/49/640240649.db2.gz SVTQBYXMAPNATL-UHFFFAOYSA-N 1 0 320.433 2.407 20 10 DECDRO C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000841793408 650565658 /nfs/dbraw/zinc/56/56/58/650565658.db2.gz KCQQJHLHLWALDT-LSDHHAIUSA-N 1 0 318.465 2.458 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841825183 650571691 /nfs/dbraw/zinc/57/16/91/650571691.db2.gz YHMRPNJOHAKPIR-SFHVURJKSA-N 1 0 318.465 2.250 20 10 DECDRO CC1([NH3+])CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000841831786 650574731 /nfs/dbraw/zinc/57/47/31/650574731.db2.gz FOAVPOFWPPWIPS-UHFFFAOYSA-N 1 0 314.433 2.086 20 10 DECDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000897465846 640432327 /nfs/dbraw/zinc/43/23/27/640432327.db2.gz JBQOPZKRPGZTNQ-LLVKDONJSA-N 1 0 311.813 2.187 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)CCC2)CC(C)(C)S(C)(=O)=O ZINC000763320466 640530424 /nfs/dbraw/zinc/53/04/24/640530424.db2.gz VZFHGYIOGDNPSY-UHFFFAOYSA-N 1 0 311.447 2.136 20 10 DECDRO CN(C)c1ccc([C@H](CNc2cnc(F)cn2)[NH+](C)C)cc1 ZINC000897520929 640536268 /nfs/dbraw/zinc/53/62/68/640536268.db2.gz AQNNJXJVERZIPI-AWEZNQCLSA-N 1 0 303.385 2.397 20 10 DECDRO Cc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n(C)n1 ZINC000841873622 650587875 /nfs/dbraw/zinc/58/78/75/650587875.db2.gz DRZGVNXRHFHTNE-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881669 650591071 /nfs/dbraw/zinc/59/10/71/650591071.db2.gz BKXYFDBNSVNLNX-RDBSUJKOSA-N 1 0 304.438 2.205 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882667 650592132 /nfs/dbraw/zinc/59/21/32/650592132.db2.gz MHHFAYLRFGZMHY-UONOGXRCSA-N 1 0 304.438 2.112 20 10 DECDRO COc1cccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1O ZINC000841890937 650594455 /nfs/dbraw/zinc/59/44/55/650594455.db2.gz UDRZQYAOWHMIOU-UHFFFAOYSA-N 1 0 309.406 2.058 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000765289690 640762261 /nfs/dbraw/zinc/76/22/61/640762261.db2.gz FKIXTLDVZWHMQS-AWEZNQCLSA-N 1 0 318.339 2.177 20 10 DECDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841944504 650607944 /nfs/dbraw/zinc/60/79/44/650607944.db2.gz JNCSVDLZSKNCCS-OAHLLOKOSA-N 1 0 305.422 2.054 20 10 DECDRO CCc1cccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897563831 640804735 /nfs/dbraw/zinc/80/47/35/640804735.db2.gz YCXYYZMCMVCYTM-MRXNPFEDSA-N 1 0 301.390 2.262 20 10 DECDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979459 640836382 /nfs/dbraw/zinc/83/63/82/640836382.db2.gz UHPBXAAFPZFQBL-HUUCEWRRSA-N 1 0 324.490 2.446 20 10 DECDRO [NH3+]C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000841967601 650615281 /nfs/dbraw/zinc/61/52/81/650615281.db2.gz WKOKHAXYWKRVII-UHFFFAOYSA-N 1 0 318.204 2.380 20 10 DECDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841978618 650617940 /nfs/dbraw/zinc/61/79/40/650617940.db2.gz STJNUMXJAJMSSQ-WBMJQRKESA-N 1 0 317.433 2.068 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]Cc2cn(C)cn2)c1O ZINC000898044895 640998762 /nfs/dbraw/zinc/99/87/62/640998762.db2.gz DKJKNMWEULMEDO-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000842009308 650627239 /nfs/dbraw/zinc/62/72/39/650627239.db2.gz AIUORXOCSRAWQU-CABCVRRESA-N 1 0 304.438 2.021 20 10 DECDRO COc1cccc(O)c1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000768251132 641062333 /nfs/dbraw/zinc/06/23/33/641062333.db2.gz GVWDCJDQDOTQGU-OAHLLOKOSA-N 1 0 320.433 2.088 20 10 DECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000768338034 641069618 /nfs/dbraw/zinc/06/96/18/641069618.db2.gz SUPWMLLHHUHZMN-GFCCVEGCSA-N 1 0 308.378 2.111 20 10 DECDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768465376 641085190 /nfs/dbraw/zinc/08/51/90/641085190.db2.gz HNYSIJXHIAZERU-ZBFHGGJFSA-N 1 0 309.431 2.391 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(O)cc1C ZINC000768466223 641086152 /nfs/dbraw/zinc/08/61/52/641086152.db2.gz PKRPYUZQJQVNQH-INIZCTEOSA-N 1 0 320.433 2.006 20 10 DECDRO O=C1CC2(CN1)CC[NH+](Cc1cc3c(cc1O)CCCC3)CC2 ZINC000768467068 641086354 /nfs/dbraw/zinc/08/63/54/641086354.db2.gz WXDIZERYEXXJNF-UHFFFAOYSA-N 1 0 314.429 2.373 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000768921060 641144140 /nfs/dbraw/zinc/14/41/40/641144140.db2.gz WVLZZSURBHAZEE-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO COc1ccc(N2CCC([NH2+]C3CCS(=O)CC3)CC2)cc1 ZINC000769131369 641181617 /nfs/dbraw/zinc/18/16/17/641181617.db2.gz DOXWOBWTORRHFN-UHFFFAOYSA-N 1 0 322.474 2.165 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000769405939 641235112 /nfs/dbraw/zinc/23/51/12/641235112.db2.gz YRCHBLQRVXNJSU-OAHLLOKOSA-N 1 0 318.417 2.235 20 10 DECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769934404 641310144 /nfs/dbraw/zinc/31/01/44/641310144.db2.gz CWFYTQZVLFAXBC-GWQWAINWSA-N 1 0 308.397 2.079 20 10 DECDRO Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C ZINC000898450096 641662052 /nfs/dbraw/zinc/66/20/52/641662052.db2.gz NHJVXBZVCQECBP-GOSISDBHSA-N 1 0 315.465 2.187 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CCOC1CCSCC1)OCO2 ZINC000898441706 641662958 /nfs/dbraw/zinc/66/29/58/641662958.db2.gz CHYHHNHHBWAHOV-UHFFFAOYSA-N 1 0 311.403 2.123 20 10 DECDRO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013864 641717430 /nfs/dbraw/zinc/71/74/30/641717430.db2.gz GBNQWGGOOJJNQA-LLVKDONJSA-N 1 0 317.355 2.424 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000773804591 641825027 /nfs/dbraw/zinc/82/50/27/641825027.db2.gz RVWWFXFZCFSPCI-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098198 641939989 /nfs/dbraw/zinc/93/99/89/641939989.db2.gz LZVVCAXNQNZNET-CZUORRHYSA-N 1 0 304.438 2.159 20 10 DECDRO C[C@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098196 641940493 /nfs/dbraw/zinc/94/04/93/641940493.db2.gz LZVVCAXNQNZNET-BBRMVZONSA-N 1 0 304.438 2.159 20 10 DECDRO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000775410366 642040029 /nfs/dbraw/zinc/04/00/29/642040029.db2.gz KOPBVDCQXBKYCO-CZUORRHYSA-N 1 0 321.490 2.367 20 10 DECDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000775503617 642052766 /nfs/dbraw/zinc/05/27/66/642052766.db2.gz KXBPHOAFAATVAI-DZGCQCFKSA-N 1 0 311.857 2.332 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000128529093 642072602 /nfs/dbraw/zinc/07/26/02/642072602.db2.gz NAMKRQPZWMZIEH-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO CCCC(=O)NC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000775656576 642074027 /nfs/dbraw/zinc/07/40/27/642074027.db2.gz WJENERSPQQOQBA-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCOC1 ZINC000775680401 642078112 /nfs/dbraw/zinc/07/81/12/642078112.db2.gz BXXKOXGZLFCRGF-GOSISDBHSA-N 1 0 317.477 2.297 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000775747747 642089098 /nfs/dbraw/zinc/08/90/98/642089098.db2.gz MYWSAKOMPSUEKQ-VXGBXAGGSA-N 1 0 311.223 2.114 20 10 DECDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833800 642102874 /nfs/dbraw/zinc/10/28/74/642102874.db2.gz MTXWUNDJHRVZDZ-KFWWJZLASA-N 1 0 319.449 2.039 20 10 DECDRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)c(C)n1-c1ccccn1 ZINC000775884170 642109260 /nfs/dbraw/zinc/10/92/60/642109260.db2.gz GLKNIWRDJIMQME-UHFFFAOYSA-N 1 0 324.428 2.481 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]CC(=O)NCc2ccco2)c1O ZINC000775934112 642114580 /nfs/dbraw/zinc/11/45/80/642114580.db2.gz XEXZDBDSOKFHTH-UHFFFAOYSA-N 1 0 308.765 2.353 20 10 DECDRO COc1cc(O)c(C[NH2+][C@](C)(CO)c2ccccc2)cc1OC ZINC000776175801 642139085 /nfs/dbraw/zinc/13/90/85/642139085.db2.gz SGCZZNNEHCLMMW-GOSISDBHSA-N 1 0 317.385 2.407 20 10 DECDRO Cc1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000777505247 642274308 /nfs/dbraw/zinc/27/43/08/642274308.db2.gz OTHFNBBDUBSTKD-UHFFFAOYSA-N 1 0 303.435 2.210 20 10 DECDRO C[NH+](C)CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900688760 642445357 /nfs/dbraw/zinc/44/53/57/642445357.db2.gz DMFYFGHJKGFKKW-UHFFFAOYSA-N 1 0 308.403 2.384 20 10 DECDRO CCOCc1cc(C[NH2+]C2(C(=O)NC)CCCC2)ccc1OC ZINC000779176056 642469564 /nfs/dbraw/zinc/46/95/64/642469564.db2.gz ZLVBPMAHZLQJDO-UHFFFAOYSA-N 1 0 320.433 2.380 20 10 DECDRO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000779190226 642469595 /nfs/dbraw/zinc/46/95/95/642469595.db2.gz DMCWCTUOZDWFPG-UHFFFAOYSA-N 1 0 320.433 2.078 20 10 DECDRO C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@@H+]1CCCC[C@H]1C ZINC000779497679 642505324 /nfs/dbraw/zinc/50/53/24/642505324.db2.gz OJRPTCALXIBMPW-TXKQXAOOSA-N 1 0 318.417 2.490 20 10 DECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779506607 642506483 /nfs/dbraw/zinc/50/64/83/642506483.db2.gz REBBYHRXULTWQZ-SOFGYWHQSA-N 1 0 318.417 2.444 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000779515058 642506915 /nfs/dbraw/zinc/50/69/15/642506915.db2.gz SAMBCZFHQRLEPX-RQOWECAXSA-N 1 0 322.324 2.330 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C ZINC000780951551 642694385 /nfs/dbraw/zinc/69/43/85/642694385.db2.gz ZBHVBRFKCLBWPE-QWHCGFSZSA-N 1 0 306.406 2.351 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000842625829 650786031 /nfs/dbraw/zinc/78/60/31/650786031.db2.gz SSGLTZRMXTVIIM-MRXNPFEDSA-N 1 0 309.431 2.417 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000782633784 642910087 /nfs/dbraw/zinc/91/00/87/642910087.db2.gz JSUKHRCCDFIGQF-LBPRGKRZSA-N 1 0 321.421 2.245 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)cc1F ZINC000783577014 643022440 /nfs/dbraw/zinc/02/24/40/643022440.db2.gz WLLQSHNYULGICF-CQSZACIVSA-N 1 0 308.397 2.383 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783598923 643025454 /nfs/dbraw/zinc/02/54/54/643025454.db2.gz GPLXUBPBNWFYFD-UHFFFAOYSA-N 1 0 302.418 2.136 20 10 DECDRO C[C@@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)c1ccccc1O ZINC000903355817 643325930 /nfs/dbraw/zinc/32/59/30/643325930.db2.gz KJRWEBMLBNYFHB-DYVFJYSZSA-N 1 0 301.390 2.482 20 10 DECDRO COC1(OC)CC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448777 643354778 /nfs/dbraw/zinc/35/47/78/643354778.db2.gz SLIWETMHHAMBNP-IRXDYDNUSA-N 1 0 321.465 2.096 20 10 DECDRO [NH3+][C@@H](CC(F)F)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000903905480 643503219 /nfs/dbraw/zinc/50/32/19/643503219.db2.gz GTZGMJAIATUQMA-UONOGXRCSA-N 1 0 314.376 2.356 20 10 DECDRO CN(C)c1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954523 643529387 /nfs/dbraw/zinc/52/93/87/643529387.db2.gz DIYHRJMMJFQOES-GFCCVEGCSA-N 1 0 301.356 2.226 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2O ZINC000842899979 650848082 /nfs/dbraw/zinc/84/80/82/650848082.db2.gz CVIROGVPNHHPML-ZYHUDNBSSA-N 1 0 304.369 2.431 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2O ZINC000842899975 650848099 /nfs/dbraw/zinc/84/80/99/650848099.db2.gz CVIROGVPNHHPML-JQWIXIFHSA-N 1 0 304.369 2.431 20 10 DECDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926681 650853486 /nfs/dbraw/zinc/85/34/86/650853486.db2.gz ARVPUWYKAXVBEA-UMVBOHGHSA-N 1 0 308.397 2.490 20 10 DECDRO CCOc1cccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789766190 643772038 /nfs/dbraw/zinc/77/20/38/643772038.db2.gz XXKUACYFLSZTCZ-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC000905024105 643774554 /nfs/dbraw/zinc/77/45/54/643774554.db2.gz IHJMJFSRAPMFRF-RTBURBONSA-N 1 0 314.429 2.327 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)cc1 ZINC000905024102 643774588 /nfs/dbraw/zinc/77/45/88/643774588.db2.gz IHJMJFSRAPMFRF-MOPGFXCFSA-N 1 0 314.429 2.327 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843046478 650876308 /nfs/dbraw/zinc/87/63/08/650876308.db2.gz WVXFCBGKABDRNM-RHSMWYFYSA-N 1 0 321.440 2.364 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000790761882 643889958 /nfs/dbraw/zinc/88/99/58/643889958.db2.gz ZGNVSFGQKCXHLD-AAEUAGOBSA-N 1 0 317.813 2.110 20 10 DECDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843051462 650877719 /nfs/dbraw/zinc/87/77/19/650877719.db2.gz IPAJKXSXUDPEDG-ZDUSSCGKSA-N 1 0 306.410 2.364 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3ccc(N)nc3)CC2)cc1 ZINC000843060887 650881046 /nfs/dbraw/zinc/88/10/46/650881046.db2.gz QXOVOQLTQHBKEV-UHFFFAOYSA-N 1 0 312.417 2.385 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC000792271398 644098719 /nfs/dbraw/zinc/09/87/19/644098719.db2.gz JMUKDUOTADWSIB-GFCCVEGCSA-N 1 0 315.373 2.475 20 10 DECDRO Fc1cc(C[NH+]2CC([C@@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000793256391 644216917 /nfs/dbraw/zinc/21/69/17/644216917.db2.gz VGWQQXIVCWRWEL-OAHLLOKOSA-N 1 0 320.408 2.131 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843124674 650900906 /nfs/dbraw/zinc/90/09/06/650900906.db2.gz JLMRDQHVKLUXSB-JTQLQIEISA-N 1 0 321.165 2.194 20 10 DECDRO OC[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793319957 644232977 /nfs/dbraw/zinc/23/29/77/644232977.db2.gz ABNREDKFMZZMLS-KRWDZBQOSA-N 1 0 304.434 2.164 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000793366788 644240674 /nfs/dbraw/zinc/24/06/74/644240674.db2.gz TXDDPKJNSOHVAF-QGZVFWFLSA-N 1 0 307.390 2.171 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000793591008 644276845 /nfs/dbraw/zinc/27/68/45/644276845.db2.gz QKJRSBKOOFZQJA-DLBZAZTESA-N 1 0 319.493 2.420 20 10 DECDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657772 644455201 /nfs/dbraw/zinc/45/52/01/644455201.db2.gz HNFPVKWHLGQVCL-SCLBCKFNSA-N 1 0 303.402 2.261 20 10 DECDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000794710697 644464724 /nfs/dbraw/zinc/46/47/24/644464724.db2.gz HWLOFRVAZUSTFY-QGZVFWFLSA-N 1 0 306.406 2.093 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907271660 644487169 /nfs/dbraw/zinc/48/71/69/644487169.db2.gz BRUSCOZOGRMMBX-ZDUSSCGKSA-N 1 0 320.433 2.410 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000795693321 644620394 /nfs/dbraw/zinc/62/03/94/644620394.db2.gz SMBCOLPWRCBEFN-NVXWUHKLSA-N 1 0 304.434 2.304 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796036567 644677629 /nfs/dbraw/zinc/67/76/29/644677629.db2.gz OHVPHHGXFBYMJS-SUMWQHHRSA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1F ZINC000843414833 650969988 /nfs/dbraw/zinc/96/99/88/650969988.db2.gz OKMXQWCWXVGCKU-AWEZNQCLSA-N 1 0 315.396 2.368 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000843428045 650973090 /nfs/dbraw/zinc/97/30/90/650973090.db2.gz CTMIEUPNJQLAQA-SFHVURJKSA-N 1 0 306.450 2.328 20 10 DECDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000843504449 650986540 /nfs/dbraw/zinc/98/65/40/650986540.db2.gz AFSJCQIJGOQWSL-GHMZBOCLSA-N 1 0 318.446 2.172 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000839919104 645299978 /nfs/dbraw/zinc/29/99/78/645299978.db2.gz PLPQADBRQVCCRB-WMLDXEAASA-N 1 0 303.450 2.202 20 10 DECDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000808435937 646084962 /nfs/dbraw/zinc/08/49/62/646084962.db2.gz DRXHJPYNPDNALW-LBPRGKRZSA-N 1 0 301.356 2.479 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000808674058 646125514 /nfs/dbraw/zinc/12/55/14/646125514.db2.gz MTURCCGKAPEFLJ-MNOVXSKESA-N 1 0 317.838 2.439 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000808674059 646126186 /nfs/dbraw/zinc/12/61/86/646126186.db2.gz MTURCCGKAPEFLJ-QWRGUYRKSA-N 1 0 317.838 2.439 20 10 DECDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000808725790 646132962 /nfs/dbraw/zinc/13/29/62/646132962.db2.gz FEJJWOWRXLVOJR-ZYHUDNBSSA-N 1 0 315.410 2.492 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC000809787500 646283547 /nfs/dbraw/zinc/28/35/47/646283547.db2.gz FZJNALXKIAYWCR-XOKHGSTOSA-N 1 0 318.417 2.137 20 10 DECDRO CCN(CC)c1ccc(CN(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809932995 646301620 /nfs/dbraw/zinc/30/16/20/646301620.db2.gz MHOMKYUAVDDDBI-LJQANCHMSA-N 1 0 319.493 2.420 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1N(C)C ZINC000815060884 646961116 /nfs/dbraw/zinc/96/11/16/646961116.db2.gz DRQFKAISPOWVTI-ZWKOTPCHSA-N 1 0 304.434 2.441 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)ccc1N(C)C ZINC000815116143 646972247 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C[C@@H]1CCC[C@@](CNC(=O)c2c(F)ccc(O)c2O)([NH+](C)C)C1 ZINC000825516862 648774057 /nfs/dbraw/zinc/77/40/57/648774057.db2.gz DRAQZDPOUPJDID-PIGZYNQJSA-N 1 0 324.396 2.477 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CC2)cc1Cl ZINC000825710395 648803280 /nfs/dbraw/zinc/80/32/80/648803280.db2.gz OAJNJHVHONFCJK-UHFFFAOYSA-N 1 0 310.825 2.308 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c(O)c1 ZINC000825752592 648809409 /nfs/dbraw/zinc/80/94/09/648809409.db2.gz FHSDHDHNIPSOAA-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000182337897 648879576 /nfs/dbraw/zinc/87/95/76/648879576.db2.gz PZRZECXYUHQSTQ-NSHDSACASA-N 1 0 319.361 2.377 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827132410 648978712 /nfs/dbraw/zinc/97/87/12/648978712.db2.gz MHPYBWLPGWYPBC-FZMZJTMJSA-N 1 0 308.809 2.455 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000827142400 648980544 /nfs/dbraw/zinc/98/05/44/648980544.db2.gz FMSMMJNUTRYCBS-GFCCVEGCSA-N 1 0 324.396 2.335 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1Cl ZINC000827164762 648984634 /nfs/dbraw/zinc/98/46/34/648984634.db2.gz MOVDWAKBXKZISF-PWSUYJOCSA-N 1 0 317.838 2.409 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+](CCOCCO)C1CCC1 ZINC000827204498 648992167 /nfs/dbraw/zinc/99/21/67/648992167.db2.gz WKFBDRCGNAXOEA-UHFFFAOYSA-N 1 0 306.450 2.424 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC000827837870 649093206 /nfs/dbraw/zinc/09/32/06/649093206.db2.gz GNAYMJARPABMKZ-UHFFFAOYSA-N 1 0 312.369 2.058 20 10 DECDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000829004043 649258370 /nfs/dbraw/zinc/25/83/70/649258370.db2.gz YLPXLECEJZJZLF-CVEARBPZSA-N 1 0 318.417 2.027 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000829038976 649263769 /nfs/dbraw/zinc/26/37/69/649263769.db2.gz RNVAVBLAHSJYRY-GXTWGEPZSA-N 1 0 307.413 2.286 20 10 DECDRO CCc1cnccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266416 649690425 /nfs/dbraw/zinc/69/04/25/649690425.db2.gz FRPMTPGUYSKAAS-KRWDZBQOSA-N 1 0 312.417 2.140 20 10 DECDRO CSCCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272627 649691397 /nfs/dbraw/zinc/69/13/97/649691397.db2.gz HUCNDNMPSVYRJG-OAHLLOKOSA-N 1 0 309.479 2.402 20 10 DECDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834668381 649828127 /nfs/dbraw/zinc/82/81/27/649828127.db2.gz LHIQLXHZGSBDJG-BFHYXJOUSA-N 1 0 309.431 2.325 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844162462 651084807 /nfs/dbraw/zinc/08/48/07/651084807.db2.gz SADAUMYPYQINHM-PIIMJCKOSA-N 1 0 313.445 2.101 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844751838 651165267 /nfs/dbraw/zinc/16/52/67/651165267.db2.gz WBQYRYQFIXRGNO-DZGCQCFKSA-N 1 0 311.328 2.439 20 10 DECDRO CCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1=O ZINC000846097527 651307547 /nfs/dbraw/zinc/30/75/47/651307547.db2.gz QVDOWZTXDONFKI-JTQLQIEISA-N 1 0 312.797 2.012 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846108116 651307971 /nfs/dbraw/zinc/30/79/71/651307971.db2.gz NYRNQRRCURRZQW-OAHLLOKOSA-N 1 0 315.797 2.075 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1O ZINC000846145320 651310830 /nfs/dbraw/zinc/31/08/30/651310830.db2.gz NYXYQWTYSZCECQ-KBPBESRZSA-N 1 0 309.406 2.495 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCN2CCC(OC)CC2)c1O ZINC000846148485 651311037 /nfs/dbraw/zinc/31/10/37/651311037.db2.gz FEHYJVBNDXCMEJ-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO O=C(NCCCSc1nccs1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846671477 651344458 /nfs/dbraw/zinc/34/44/58/651344458.db2.gz UFNURZLCXWKTME-NEPJUHHUSA-N 1 0 311.476 2.272 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2CC[NH3+])c1 ZINC000846676387 651344935 /nfs/dbraw/zinc/34/49/35/651344935.db2.gz DOIGFNGEIHAMEL-GFCCVEGCSA-N 1 0 314.385 2.393 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000847409236 651394515 /nfs/dbraw/zinc/39/45/15/651394515.db2.gz LAPIKRMGSLKOBF-UPJWGTAASA-N 1 0 321.421 2.101 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCO)c1O ZINC000848514009 651465377 /nfs/dbraw/zinc/46/53/77/651465377.db2.gz KIANBPVLLDDSQR-QMMMGPOBSA-N 1 0 304.184 2.196 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1C ZINC000848564386 651471716 /nfs/dbraw/zinc/47/17/16/651471716.db2.gz MNBPBCHDBYFMQX-CHWSQXEVSA-N 1 0 300.406 2.346 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000848567181 651472294 /nfs/dbraw/zinc/47/22/94/651472294.db2.gz QICYASZDNKSRKY-OAHLLOKOSA-N 1 0 313.449 2.308 20 10 DECDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000112466415 651525321 /nfs/dbraw/zinc/52/53/21/651525321.db2.gz NMTVVPKAYDGGEX-ZDUSSCGKSA-N 1 0 323.437 2.493 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000848909127 651555921 /nfs/dbraw/zinc/55/59/21/651555921.db2.gz LQYIRNBUNWHMFP-INIZCTEOSA-N 1 0 318.461 2.499 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848928440 651563885 /nfs/dbraw/zinc/56/38/85/651563885.db2.gz DITWHOLDVWAJDS-ZDUSSCGKSA-N 1 0 310.781 2.427 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])NC3CCC3)C2)cc1 ZINC000849044187 651593373 /nfs/dbraw/zinc/59/33/73/651593373.db2.gz YEWRFIACRCHINX-CYBMUJFWSA-N 1 0 302.422 2.188 20 10 DECDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044086 651593757 /nfs/dbraw/zinc/59/37/57/651593757.db2.gz SVYMPXMTXVFDRT-KBPBESRZSA-N 1 0 304.438 2.434 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N(C)C3CC3)C2)cc1 ZINC000849043950 651593803 /nfs/dbraw/zinc/59/38/03/651593803.db2.gz MPIPVZMOUQVECS-CYBMUJFWSA-N 1 0 302.422 2.140 20 10 DECDRO CC(C)NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000849069019 651597110 /nfs/dbraw/zinc/59/71/10/651597110.db2.gz HDZVJJIHUQIWKR-BETUJISGSA-N 1 0 322.428 2.462 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855161623 651636809 /nfs/dbraw/zinc/63/68/09/651636809.db2.gz AKYHAVPMBZYBFI-VGVVRCBHSA-N 1 0 304.390 2.100 20 10 DECDRO COc1cc(C[NH2+]C2(CO)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850139744 651839897 /nfs/dbraw/zinc/83/98/97/651839897.db2.gz RQZZZDQTLKGDRQ-UHFFFAOYSA-N 1 0 323.433 2.329 20 10 DECDRO CCN1C[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O ZINC000850315657 651896712 /nfs/dbraw/zinc/89/67/12/651896712.db2.gz IJYNYTOJEMWATP-CYBMUJFWSA-N 1 0 320.433 2.409 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)nn3C)C2)cc1 ZINC000850347418 651905510 /nfs/dbraw/zinc/90/55/10/651905510.db2.gz RWWXJQDJGSDCAN-AWEZNQCLSA-N 1 0 300.406 2.106 20 10 DECDRO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000850560108 651952901 /nfs/dbraw/zinc/95/29/01/651952901.db2.gz BRZGBOPYKREXLG-OCCSQVGLSA-N 1 0 321.396 2.472 20 10 DECDRO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000850560102 651953016 /nfs/dbraw/zinc/95/30/16/651953016.db2.gz BRZGBOPYKREXLG-GXTWGEPZSA-N 1 0 321.396 2.472 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c1 ZINC000857061047 652043279 /nfs/dbraw/zinc/04/32/79/652043279.db2.gz ILLRLIVVHOOLJU-SFHVURJKSA-N 1 0 315.417 2.380 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1F ZINC000858141434 652263301 /nfs/dbraw/zinc/26/33/01/652263301.db2.gz ONFJTLUJXREWRR-LBPRGKRZSA-N 1 0 306.360 2.401 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]CC2COC2)ccc1N1CCCCC1 ZINC000858301052 652299616 /nfs/dbraw/zinc/29/96/16/652299616.db2.gz PZTWZHQSBUIVIT-UHFFFAOYSA-N 1 0 305.378 2.321 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000852680183 652438180 /nfs/dbraw/zinc/43/81/80/652438180.db2.gz NQBFDLHAZISCGG-INIZCTEOSA-N 1 0 301.434 2.197 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000853748856 652598080 /nfs/dbraw/zinc/59/80/80/652598080.db2.gz JURVZQXYPVIFOY-AWEZNQCLSA-N 1 0 306.454 2.200 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000388998464 685430823 /nfs/dbraw/zinc/43/08/23/685430823.db2.gz QGGGDKXLPGASOD-RDJZCZTQSA-N 1 0 304.434 2.428 20 10 DECDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000858546865 685556083 /nfs/dbraw/zinc/55/60/83/685556083.db2.gz AQWKQTBKLZTCLV-QFBILLFUSA-N 1 0 317.477 2.394 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000858579859 685560849 /nfs/dbraw/zinc/56/08/49/685560849.db2.gz HUHPLKQRYBNODC-UHFFFAOYSA-N 1 0 307.438 2.478 20 10 DECDRO COCC[N@H+]1[C@H](C)CN(Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000093478648 684049737 /nfs/dbraw/zinc/04/97/37/684049737.db2.gz JYUNRSWOYFBTFB-IYBDPMFKSA-N 1 0 305.466 2.294 20 10 DECDRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1cc(Br)ccc1O ZINC000136092981 684238152 /nfs/dbraw/zinc/23/81/52/684238152.db2.gz HNELCAQCZVKBNY-LDYMZIIASA-N 1 0 315.211 2.459 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCN(c3ncccn3)CC1)CCCC2 ZINC000159472417 684315812 /nfs/dbraw/zinc/31/58/12/684315812.db2.gz IPFLVELCNXHGKE-UHFFFAOYSA-N 1 0 324.428 2.383 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(O)cc1C ZINC000160114618 684327307 /nfs/dbraw/zinc/32/73/07/684327307.db2.gz RJQXGGUSZJLDJH-CYBMUJFWSA-N 1 0 306.406 2.187 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000245729332 685117215 /nfs/dbraw/zinc/11/72/15/685117215.db2.gz PXSHLORMOZNSBM-RNUUNTDPSA-N 1 0 318.417 2.348 20 10 DECDRO C[NH+](C)CCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862028345 686226327 /nfs/dbraw/zinc/22/63/27/686226327.db2.gz VXHAQDCDWCOIMG-UHFFFAOYSA-N 1 0 301.390 2.289 20 10 DECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000862467262 686306344 /nfs/dbraw/zinc/30/63/44/686306344.db2.gz UNDAQQWAHBIQTR-GFCCVEGCSA-N 1 0 311.765 2.406 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](C)O1 ZINC000862487077 686309651 /nfs/dbraw/zinc/30/96/51/686309651.db2.gz LKBZVMLUALQVPM-WBMJQRKESA-N 1 0 315.369 2.308 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545370 686519216 /nfs/dbraw/zinc/51/92/16/686519216.db2.gz PVKRVZYFUVRQLV-GDBMZVCRSA-N 1 0 321.440 2.455 20 10 DECDRO C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000863544932 686519421 /nfs/dbraw/zinc/51/94/21/686519421.db2.gz FKPOJDCSWFRTDZ-JTQLQIEISA-N 1 0 306.328 2.427 20 10 DECDRO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646407 686539289 /nfs/dbraw/zinc/53/92/89/686539289.db2.gz SERFQLMFWVXEKA-ZYHUDNBSSA-N 1 0 306.303 2.490 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(N(C)C)cc1 ZINC000866411461 687564175 /nfs/dbraw/zinc/56/41/75/687564175.db2.gz MNQKTQWRGKFSKY-HOCLYGCPSA-N 1 0 305.466 2.248 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868363175 687990872 /nfs/dbraw/zinc/99/08/72/687990872.db2.gz KCICWJUCIUBDQQ-UONOGXRCSA-N 1 0 305.422 2.483 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000871763493 688862739 /nfs/dbraw/zinc/86/27/39/688862739.db2.gz JAZKESOMELSURJ-SJORKVTESA-N 1 0 316.449 2.131 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c1O ZINC000872673590 689062453 /nfs/dbraw/zinc/06/24/53/689062453.db2.gz OAJBMSIMPYBQSV-CQSZACIVSA-N 1 0 306.406 2.152 20 10 DECDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1Cn1cccn1 ZINC000873097274 689158656 /nfs/dbraw/zinc/15/86/56/689158656.db2.gz MOBSLROJAWCCOK-CYBMUJFWSA-N 1 0 303.406 2.189 20 10 DECDRO CCCOc1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1C ZINC000873113099 689160281 /nfs/dbraw/zinc/16/02/81/689160281.db2.gz PWFGIDCVRQAPQW-UHFFFAOYSA-N 1 0 311.447 2.308 20 10 DECDRO COc1ccc(C[NH2+]CCC(C)(C)CO)cc1Cn1cccn1 ZINC000873129579 689165261 /nfs/dbraw/zinc/16/52/61/689165261.db2.gz SAKXXLSFHPKYOZ-UHFFFAOYSA-N 1 0 317.433 2.438 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CCCO)cc1Cn1cccn1 ZINC000873130177 689166108 /nfs/dbraw/zinc/16/61/08/689166108.db2.gz ZXVMNFNXHJCPGO-HNNXBMFYSA-N 1 0 317.433 2.438 20 10 DECDRO COc1cccc(C[N@@H+]2CCOc3cc(N)ccc3C2)c1O ZINC000873219576 689186874 /nfs/dbraw/zinc/18/68/74/689186874.db2.gz LKOUNYOEZQEIFX-UHFFFAOYSA-N 1 0 300.358 2.378 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000873829533 689315126 /nfs/dbraw/zinc/31/51/26/689315126.db2.gz RZOAGQZKJWLJGB-QGZVFWFLSA-N 1 0 301.434 2.386 20 10 DECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCCSc1nccs1 ZINC000876661067 689893224 /nfs/dbraw/zinc/89/32/24/689893224.db2.gz ASPUUAVENHOTLU-QMAVJUDZSA-N 1 0 311.476 2.297 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCCO1 ZINC000876684061 689901651 /nfs/dbraw/zinc/90/16/51/689901651.db2.gz IIPQXOZSSXQQCY-HNNXBMFYSA-N 1 0 304.434 2.259 20 10 DECDRO CN(C)c1ccc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1F ZINC000876739816 689923084 /nfs/dbraw/zinc/92/30/84/689923084.db2.gz IXZHTYCZAYHSHD-CFNZNRNTSA-N 1 0 305.397 2.064 20 10 DECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000876809745 689944255 /nfs/dbraw/zinc/94/42/55/689944255.db2.gz IVLAQQQGFQAYMX-WMLDXEAASA-N 1 0 315.417 2.380 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876873332 689960228 /nfs/dbraw/zinc/96/02/28/689960228.db2.gz CUFZPCQCKMNGHM-HOCLYGCPSA-N 1 0 307.413 2.049 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCO3)cc2)CC1 ZINC000876971226 689986842 /nfs/dbraw/zinc/98/68/42/689986842.db2.gz DGXQSWZTBHPPLW-SFHVURJKSA-N 1 0 304.434 2.306 20 10 DECDRO COC(=O)c1[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1C ZINC000876996047 689993429 /nfs/dbraw/zinc/99/34/29/689993429.db2.gz MFFZQWYSPSHFJT-UHFFFAOYSA-N 1 0 300.358 2.334 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C)n1-c1ccccn1 ZINC000877052845 690008081 /nfs/dbraw/zinc/00/80/81/690008081.db2.gz XKFXGVJSIBSAKE-IUODEOHRSA-N 1 0 312.417 2.359 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCOC3CCC3)cc2)CC1 ZINC000877071734 690012764 /nfs/dbraw/zinc/01/27/64/690012764.db2.gz SHJIWLZLOFOSHH-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](O)CC3)cc2)CC1 ZINC000877120583 690023289 /nfs/dbraw/zinc/02/32/89/690023289.db2.gz IHHAJOZLONXOEE-JCNLHEQBSA-N 1 0 304.434 2.041 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000877479941 690125978 /nfs/dbraw/zinc/12/59/78/690125978.db2.gz YWBNDBNWVDIYBX-INIZCTEOSA-N 1 0 301.390 2.369 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000877505814 690134080 /nfs/dbraw/zinc/13/40/80/690134080.db2.gz ZOLDGGWBVGWIHY-WMLDXEAASA-N 1 0 305.418 2.358 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(CCO)(CCO)CC2)cc1C ZINC000877691099 690192591 /nfs/dbraw/zinc/19/25/91/690192591.db2.gz IIPZHOYMLRIBHO-UHFFFAOYSA-N 1 0 307.434 2.356 20 10 DECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000877691502 690193328 /nfs/dbraw/zinc/19/33/28/690193328.db2.gz PAIYQNWTHKRQFE-HNNXBMFYSA-N 1 0 310.350 2.046 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCOC1 ZINC000877697945 690195415 /nfs/dbraw/zinc/19/54/15/690195415.db2.gz DCJHOIZOQWHSFJ-SFHVURJKSA-N 1 0 321.417 2.453 20 10 DECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(OCC)cc2O)C1 ZINC000877829583 690244523 /nfs/dbraw/zinc/24/45/23/690244523.db2.gz XGCDUUXEGWXAKP-GFCCVEGCSA-N 1 0 307.390 2.422 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCc3ncnn32)C2CC2)cc1 ZINC000877976341 690275420 /nfs/dbraw/zinc/27/54/20/690275420.db2.gz IDTBJDPOUQUJSO-KRWDZBQOSA-N 1 0 311.433 2.496 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)cc1 ZINC000878945698 690534993 /nfs/dbraw/zinc/53/49/93/690534993.db2.gz PADCZQBWFFQABU-CQSZACIVSA-N 1 0 315.421 2.488 20 10 DECDRO C[NH2+]C(C)(C)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999356 691010565 /nfs/dbraw/zinc/01/05/65/691010565.db2.gz LZKLPBAQPSPPOA-UHFFFAOYSA-N 1 0 322.796 2.343 20 10 DECDRO CCC[C@@H]([NH3+])c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996094 691010815 /nfs/dbraw/zinc/01/08/15/691010815.db2.gz OKVDCEVEUWEUMR-CYBMUJFWSA-N 1 0 306.341 2.174 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)CC1 ZINC000883283867 691471515 /nfs/dbraw/zinc/47/15/15/691471515.db2.gz WKOXLWISIMETNT-UHFFFAOYSA-N 1 0 314.408 2.262 20 10 DECDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398052 691729148 /nfs/dbraw/zinc/72/91/48/691729148.db2.gz UYPPBOSERVAGDE-YOEHRIQHSA-N 1 0 319.449 2.024 20 10 DECDRO CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001045327552 691963849 /nfs/dbraw/zinc/96/38/49/691963849.db2.gz JIURWZFFFQSJJK-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000886341403 692061521 /nfs/dbraw/zinc/06/15/21/692061521.db2.gz UQXNNPTVPHTXPN-MOROJQBDSA-N 1 0 321.417 2.463 20 10 DECDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749079 692182058 /nfs/dbraw/zinc/18/20/58/692182058.db2.gz IXPGENYNYCRVRC-SUMWQHHRSA-N 1 0 301.434 2.276 20 10 DECDRO CN1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000895564795 692997711 /nfs/dbraw/zinc/99/77/11/692997711.db2.gz MTIWIUIDFRYCLI-UHFFFAOYSA-N 1 0 317.477 2.174 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000927042381 693545041 /nfs/dbraw/zinc/54/50/41/693545041.db2.gz YILLTGCUFFSBMA-FUDCBSFHSA-N 1 0 309.431 2.459 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(N(C)C)cc1 ZINC000927152860 693562007 /nfs/dbraw/zinc/56/20/07/693562007.db2.gz VZPHHFMOTYZZRX-ZBFHGGJFSA-N 1 0 313.449 2.479 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NC2CCC2)[NH+](C)C)cc1 ZINC001333807334 1150094020 /nfs/dbraw/zinc/09/40/20/1150094020.db2.gz IDLSXBZOYCHTDV-INIZCTEOSA-N 1 0 304.438 2.207 20 10 DECDRO COc1ccc(C[NH2+][C@](C)(CO)c2ccccc2)c(O)c1OC ZINC001334955921 1150360103 /nfs/dbraw/zinc/36/01/03/1150360103.db2.gz LZSZYPKOSADYEO-GOSISDBHSA-N 1 0 317.385 2.407 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2N(C)C)c(O)c1OC ZINC001335443583 1150418291 /nfs/dbraw/zinc/41/82/91/1150418291.db2.gz HSOFBBZXUHKRRY-UONOGXRCSA-N 1 0 308.422 2.372 20 10 DECDRO COc1nn(C)cc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001343317571 1150733695 /nfs/dbraw/zinc/73/36/95/1150733695.db2.gz COSQMVGVMCIHBK-UHFFFAOYSA-N 1 0 300.406 2.319 20 10 DECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001354604123 1151907418 /nfs/dbraw/zinc/90/74/18/1151907418.db2.gz OKYDWFVINQNMGD-HUUCEWRRSA-N 1 0 320.433 2.201 20 10 DECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331955291 1149800068 /nfs/dbraw/zinc/80/00/68/1149800068.db2.gz UHKIIRDGJYXUDC-MRXNPFEDSA-N 1 0 323.456 2.218 20 10 DECDRO C[NH+]1CCC(CCNC(=O)NCc2c(O)cccc2F)CC1 ZINC001332285607 1149844322 /nfs/dbraw/zinc/84/43/22/1149844322.db2.gz UZSAIJCQFHVQID-UHFFFAOYSA-N 1 0 309.385 2.062 20 10 DECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140100900 776794629 /nfs/dbraw/zinc/79/46/29/776794629.db2.gz FNSLOAPHAFVNIW-UWVGGRQHSA-N 1 0 300.196 2.500 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cc[nH]c2C)cc1C ZINC001125467785 777027120 /nfs/dbraw/zinc/02/71/20/777027120.db2.gz QVGCMXUWFRNQCC-UHFFFAOYSA-N 1 0 301.390 2.160 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724919807 777521463 /nfs/dbraw/zinc/52/14/63/777521463.db2.gz AWADRAQSTSGDJQ-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000694557006 777875359 /nfs/dbraw/zinc/87/53/59/777875359.db2.gz SNCBCALDMCFIGL-SNVBAGLBSA-N 1 0 303.811 2.103 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2csnc2C)cc1C ZINC001125935320 778420258 /nfs/dbraw/zinc/42/02/58/778420258.db2.gz WLOISXPQKANYSQ-UHFFFAOYSA-N 1 0 319.430 2.288 20 10 DECDRO C[C@@]1([NH3+])CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001204801347 779941032 /nfs/dbraw/zinc/94/10/32/779941032.db2.gz NXUXXDXTCGIEAK-CYBMUJFWSA-N 1 0 304.312 2.256 20 10 DECDRO CC[N@H+](Cc1cc(Br)c(F)cc1[O-])C1CN(C)C1 ZINC001144308233 790856530 /nfs/dbraw/zinc/85/65/30/790856530.db2.gz UEKQIRAPVSIGJI-UHFFFAOYSA-N 1 0 317.202 2.430 20 10 DECDRO COC(=O)c1cccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)c1 ZINC001144515399 790942669 /nfs/dbraw/zinc/94/26/69/790942669.db2.gz NBHPLTZAVUHREU-UHFFFAOYSA-N 1 0 317.341 2.222 20 10 DECDRO O=C(C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1)C(F)(F)F ZINC001144509101 790940341 /nfs/dbraw/zinc/94/03/41/790940341.db2.gz LBKRFIPYNYRXFD-UHFFFAOYSA-N 1 0 319.279 2.147 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c(O)c1 ZINC001144509284 790941304 /nfs/dbraw/zinc/94/13/04/790941304.db2.gz RUGROHFKEBCQIH-ZDUSSCGKSA-N 1 0 306.406 2.254 20 10 DECDRO CCC[N@H+](Cc1c(O)cc(O)cc1O)C1CCN(C(C)=O)CC1 ZINC001144515006 790942314 /nfs/dbraw/zinc/94/23/14/790942314.db2.gz AWLKRGPCPXEATA-UHFFFAOYSA-N 1 0 322.405 2.026 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001144515948 790943261 /nfs/dbraw/zinc/94/32/61/790943261.db2.gz KCTRGALMPOUYEL-AWEZNQCLSA-N 1 0 316.357 2.242 20 10 DECDRO COC(OC)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691430073 785359365 /nfs/dbraw/zinc/35/93/65/785359365.db2.gz RJEWTRPCNONPHS-QMMMGPOBSA-N 1 0 304.184 2.252 20 10 DECDRO COC[C@H](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169791374 785370509 /nfs/dbraw/zinc/37/05/09/785370509.db2.gz TVUQBSXTAYTCIU-CQSZACIVSA-N 1 0 322.449 2.272 20 10 DECDRO Cc1cccc(CNc2nc(Cl)nc3c2C[NH2+]CC3)c1O ZINC001160764072 791145235 /nfs/dbraw/zinc/14/52/35/791145235.db2.gz ACMIFEOABUVCKO-UHFFFAOYSA-N 1 0 304.781 2.402 20 10 DECDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691468074 785911792 /nfs/dbraw/zinc/91/17/92/785911792.db2.gz SKICFOXUIYJPKI-BCTVWOGZSA-N 1 0 306.225 2.011 20 10 DECDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)cc(OC)n1 ZINC001171676671 793166720 /nfs/dbraw/zinc/16/67/20/793166720.db2.gz MAJXTQISOLRBCH-ZDUSSCGKSA-N 1 0 323.437 2.385 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H](n3ncnn3)C2)cc1 ZINC001173771589 793845814 /nfs/dbraw/zinc/84/58/14/793845814.db2.gz VFZUGFJHGOELKH-IAGOWNOFSA-N 1 0 314.437 2.355 20 10 DECDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444273 794956772 /nfs/dbraw/zinc/95/67/72/794956772.db2.gz VNRMTSUWFZBILH-INIZCTEOSA-N 1 0 321.440 2.046 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1 ZINC001116589262 794972147 /nfs/dbraw/zinc/97/21/47/794972147.db2.gz SGQSXUNFYWVCLR-LLVKDONJSA-N 1 0 303.362 2.364 20 10 DECDRO C[C@@H](C(=O)NCc1cccc(Br)c1O)n1ccnc1 ZINC001116778452 794986135 /nfs/dbraw/zinc/98/61/35/794986135.db2.gz JFQSKFNZYCPZOR-VIFPVBQESA-N 1 0 324.178 2.229 20 10 DECDRO C[NH2+]C[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001118031988 795142939 /nfs/dbraw/zinc/14/29/39/795142939.db2.gz GLNRFKUKRIMVEM-AWEZNQCLSA-N 1 0 318.465 2.282 20 10 DECDRO COc1cc(C)cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001119510617 795315163 /nfs/dbraw/zinc/31/51/63/795315163.db2.gz VODUBPCTHQCFLR-UHFFFAOYSA-N 1 0 303.362 2.111 20 10 DECDRO Cc1cncnc1OC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277395 795358968 /nfs/dbraw/zinc/35/89/68/795358968.db2.gz CKAZUJIDTRJJPZ-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206445133 795440956 /nfs/dbraw/zinc/44/09/56/795440956.db2.gz NHQJKQLFEONXHR-DTWKUNHWSA-N 1 0 308.275 2.162 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001204328264 795633975 /nfs/dbraw/zinc/63/39/75/795633975.db2.gz FIFVRJREIMDTBU-KRWDZBQOSA-N 1 0 318.417 2.051 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC001121900875 795701817 /nfs/dbraw/zinc/70/18/17/795701817.db2.gz KZSPVYIDNHXZQT-LPHOPBHVSA-N 1 0 315.461 2.491 20 10 DECDRO O=C(NCc1cccc(O)c1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001123888710 795993450 /nfs/dbraw/zinc/99/34/50/795993450.db2.gz JVHAWVPEYHZNEV-AWEZNQCLSA-N 1 0 304.390 2.121 20 10 DECDRO COCCN1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138253926 796188301 /nfs/dbraw/zinc/18/83/01/796188301.db2.gz KUZGWWDCFLXWEF-UHFFFAOYSA-N 1 0 301.434 2.251 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259730 796189473 /nfs/dbraw/zinc/18/94/73/796189473.db2.gz NAECZYVJYRIXIP-AWEZNQCLSA-N 1 0 314.433 2.380 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337444 796199021 /nfs/dbraw/zinc/19/90/21/796199021.db2.gz PRMAAURJTSUIRR-LJQANCHMSA-N 1 0 316.445 2.438 20 10 DECDRO CN1CC[C@H]([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337029 796199254 /nfs/dbraw/zinc/19/92/54/796199254.db2.gz JBUJQPMBUIYQCS-INIZCTEOSA-N 1 0 315.461 2.227 20 10 DECDRO COC[C@@H]1CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341539 796199835 /nfs/dbraw/zinc/19/98/35/796199835.db2.gz RFPGXLGYKSPVCU-HNNXBMFYSA-N 1 0 302.418 2.312 20 10 DECDRO COc1cc(CN2CC3(CSC3)C2)cc(C[NH+](C)C)c1O ZINC001139260290 796351072 /nfs/dbraw/zinc/35/10/72/796351072.db2.gz KVMPXEZOBDCYJL-UHFFFAOYSA-N 1 0 308.447 2.011 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)ccc1N(C)C ZINC001139670367 796407757 /nfs/dbraw/zinc/40/77/57/796407757.db2.gz LJYSZFSTOOSELI-SFHVURJKSA-N 1 0 301.434 2.163 20 10 DECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC001139674398 796408900 /nfs/dbraw/zinc/40/89/00/796408900.db2.gz YBWBLNDYQBAEKZ-QLPKVWCKSA-N 1 0 302.418 2.302 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001140056108 796470791 /nfs/dbraw/zinc/47/07/91/796470791.db2.gz IJWJRUOLBFYZKZ-CYBMUJFWSA-N 1 0 307.300 2.114 20 10 DECDRO CN(C)C(=O)CC[N@H+](C)Cc1c(O)cccc1Br ZINC001140101084 796477429 /nfs/dbraw/zinc/47/74/29/796477429.db2.gz JMYHDYSXLROZCM-UHFFFAOYSA-N 1 0 315.211 2.065 20 10 DECDRO Cc1ccc(C)c(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1O ZINC001140180504 796487587 /nfs/dbraw/zinc/48/75/87/796487587.db2.gz HYPKBAYWFPPNJQ-HZPDHXFCSA-N 1 0 324.428 2.367 20 10 DECDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1CO ZINC001140660540 796552180 /nfs/dbraw/zinc/55/21/80/796552180.db2.gz VMRCTPFMJBHTSB-KDOFPFPSSA-N 1 0 322.424 2.255 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001140660675 796552210 /nfs/dbraw/zinc/55/22/10/796552210.db2.gz ZYUMRUZRMFYKPQ-SFHVURJKSA-N 1 0 320.408 2.417 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@H]1O ZINC001140660135 796552262 /nfs/dbraw/zinc/55/22/62/796552262.db2.gz HEYNMFFWNPKIAV-KBXCAEBGSA-N 1 0 322.424 2.255 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC001140744083 796566833 /nfs/dbraw/zinc/56/68/33/796566833.db2.gz LFROJFCKLXQQIF-CYBMUJFWSA-N 1 0 305.296 2.153 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(Cl)c1 ZINC001140922658 796597740 /nfs/dbraw/zinc/59/77/40/796597740.db2.gz YGWZOVZEDKJMJG-CQSZACIVSA-N 1 0 314.857 2.360 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026253 796620610 /nfs/dbraw/zinc/62/06/10/796620610.db2.gz JGJDDEOYCWDUBM-SJKOYZFVSA-N 1 0 307.390 2.410 20 10 DECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078522 796633073 /nfs/dbraw/zinc/63/30/73/796633073.db2.gz ZEKIQMUESMMEPF-GOSISDBHSA-N 1 0 313.445 2.096 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143977 796638911 /nfs/dbraw/zinc/63/89/11/796638911.db2.gz QPYPLXSBBLNLSL-INIZCTEOSA-N 1 0 303.450 2.431 20 10 DECDRO CC[N@H+](CCn1cccn1)Cc1ccc2c(c1)OCCN2C ZINC001141143503 796638941 /nfs/dbraw/zinc/63/89/41/796638941.db2.gz BIRJUGXFGYLDBO-UHFFFAOYSA-N 1 0 300.406 2.234 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116664 796803544 /nfs/dbraw/zinc/80/35/44/796803544.db2.gz IEGHQFDNRCDCFD-AWEZNQCLSA-N 1 0 321.417 2.454 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236697 797528563 /nfs/dbraw/zinc/52/85/63/797528563.db2.gz NNTHVPOECOGRGF-QWRGUYRKSA-N 1 0 312.797 2.354 20 10 DECDRO C[NH+](C)CCCCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236920 797528756 /nfs/dbraw/zinc/52/87/56/797528756.db2.gz UFKNMFKTTIUJBH-UHFFFAOYSA-N 1 0 300.786 2.213 20 10 DECDRO [NH3+]C[C@]1(O)CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205725911 797957174 /nfs/dbraw/zinc/95/71/74/797957174.db2.gz NEJKJZKBWXYXMA-CQSZACIVSA-N 1 0 319.232 2.375 20 10 DECDRO CC[C@H]1[N@H+](Cc2ccc(O)c(O)c2)CCC[C@]12CCC(=O)N2 ZINC001203877124 798185151 /nfs/dbraw/zinc/18/51/51/798185151.db2.gz MJZJYNJIMPNRJZ-WBVHZDCISA-N 1 0 304.390 2.121 20 10 DECDRO COC1CC[NH+](C2CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203878830 798201887 /nfs/dbraw/zinc/20/18/87/798201887.db2.gz DEHZTLIVNJBYMY-UHFFFAOYSA-N 1 0 320.433 2.173 20 10 DECDRO [NH3+]Cc1cccc(C(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001160924509 798763013 /nfs/dbraw/zinc/76/30/13/798763013.db2.gz LOXGCDAOKPEENR-UHFFFAOYSA-N 1 0 312.369 2.145 20 10 DECDRO [NH3+][C@@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)c1ccccc1 ZINC001160924863 798763593 /nfs/dbraw/zinc/76/35/93/798763593.db2.gz QVAXAJSLRARLOA-QGZVFWFLSA-N 1 0 312.369 2.073 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC001202264386 798848195 /nfs/dbraw/zinc/84/81/95/798848195.db2.gz UVFOORDKAZEAKW-UHFFFAOYSA-N 1 0 306.406 2.161 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](OC)C(C)C)cc1C ZINC001165867292 799784405 /nfs/dbraw/zinc/78/44/05/799784405.db2.gz CYRCDSYKVJHFSE-QGZVFWFLSA-N 1 0 322.449 2.271 20 10 DECDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccccc2O)C1 ZINC001203552137 800077982 /nfs/dbraw/zinc/07/79/82/800077982.db2.gz BVMCZXYJABBKRN-CQSZACIVSA-N 1 0 301.390 2.257 20 10 DECDRO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC001203561676 800081070 /nfs/dbraw/zinc/08/10/70/800081070.db2.gz XXFOKHBEXYNIOV-ZDUSSCGKSA-N 1 0 320.389 2.408 20 10 DECDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203561291 800081421 /nfs/dbraw/zinc/08/14/21/800081421.db2.gz PJOJZWIOYLOBRU-HNNXBMFYSA-N 1 0 300.358 2.449 20 10 DECDRO CCOC(=O)C1(F)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203593650 800087063 /nfs/dbraw/zinc/08/70/63/800087063.db2.gz PBZAFUBCBYEHPE-UHFFFAOYSA-N 1 0 311.353 2.268 20 10 DECDRO COc1ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c(O)c1 ZINC001203621521 800090954 /nfs/dbraw/zinc/09/09/54/800090954.db2.gz WQYAUCYIVNYSFT-UHFFFAOYSA-N 1 0 310.394 2.357 20 10 DECDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c(O)c1 ZINC001203630945 800095341 /nfs/dbraw/zinc/09/53/41/800095341.db2.gz YDHLALVOZUCYBK-OAHLLOKOSA-N 1 0 318.417 2.091 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001203635050 800096755 /nfs/dbraw/zinc/09/67/55/800096755.db2.gz HPZAVUIVXQYJOE-OAHLLOKOSA-N 1 0 315.373 2.153 20 10 DECDRO Oc1ccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1O ZINC001203881020 800139187 /nfs/dbraw/zinc/13/91/87/800139187.db2.gz CYDJBDUAAAHTMC-UHFFFAOYSA-N 1 0 310.397 2.416 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H](F)C[C@H]2C(N)=O)c2ccccc21 ZINC001204243342 800193486 /nfs/dbraw/zinc/19/34/86/800193486.db2.gz XRNFKIZGTVOTIZ-GUYCJALGSA-N 1 0 315.392 2.304 20 10 DECDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204275286 800198397 /nfs/dbraw/zinc/19/83/97/800198397.db2.gz NRXYBIGRRVNTQG-UHFFFAOYSA-N 1 0 318.417 2.465 20 10 DECDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1)N1CCCCC1 ZINC001204275613 800199262 /nfs/dbraw/zinc/19/92/62/800199262.db2.gz XAWKLGCITYQMGJ-OAHLLOKOSA-N 1 0 318.417 2.322 20 10 DECDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204275784 800199423 /nfs/dbraw/zinc/19/94/23/800199423.db2.gz AWTVOSUJGLXORB-NHAGDIPZSA-N 1 0 320.389 2.053 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)ccc1N(C)C ZINC000934268189 800305201 /nfs/dbraw/zinc/30/52/01/800305201.db2.gz HWMKOWSXZFCHDK-OALUTQOASA-N 1 0 317.477 2.092 20 10 DECDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001205829519 800428233 /nfs/dbraw/zinc/42/82/33/800428233.db2.gz PAGRBNNJGHOUMW-PBHICJAKSA-N 1 0 321.440 2.222 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(OC)c1 ZINC001206416269 800526971 /nfs/dbraw/zinc/52/69/71/800526971.db2.gz YPTCPGSETUHVIA-HUUCEWRRSA-N 1 0 309.429 2.413 20 10 DECDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206425986 800530469 /nfs/dbraw/zinc/53/04/69/800530469.db2.gz YEOCGDMMGVQEAA-SJORKVTESA-N 1 0 303.425 2.257 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCCC3OCCO3)CC2)cc1 ZINC001209308972 801168111 /nfs/dbraw/zinc/16/81/11/801168111.db2.gz MGDOMOSRGFRCSA-UHFFFAOYSA-N 1 0 320.433 2.360 20 10 DECDRO Cc1cccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1O ZINC001231592045 801691540 /nfs/dbraw/zinc/69/15/40/801691540.db2.gz KDBHDNSCTXQPMK-HZPDHXFCSA-N 1 0 310.401 2.059 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cccc(C)c2O)CC1 ZINC001231593106 801692207 /nfs/dbraw/zinc/69/22/07/801692207.db2.gz NAMHYCIKHGZZPV-CQSZACIVSA-N 1 0 305.374 2.045 20 10 DECDRO Cc1cccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1O ZINC001231592046 801692353 /nfs/dbraw/zinc/69/23/53/801692353.db2.gz KDBHDNSCTXQPMK-IYBDPMFKSA-N 1 0 310.401 2.059 20 10 DECDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001231847522 801735941 /nfs/dbraw/zinc/73/59/41/801735941.db2.gz AINQMLBLHVFSSB-OAHLLOKOSA-N 1 0 302.418 2.500 20 10 DECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3OC)C[C@@H]21 ZINC001231854718 801739128 /nfs/dbraw/zinc/73/91/28/801739128.db2.gz LFQCKVZIWWKPQP-QLPKVWCKSA-N 1 0 318.417 2.002 20 10 DECDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194261 801813228 /nfs/dbraw/zinc/81/32/28/801813228.db2.gz GXCAOIAETDGUHL-MRXNPFEDSA-N 1 0 310.825 2.133 20 10 DECDRO Clc1cc(C[NH+]2CC(C3COC3)C2)ccc1N1CCOCC1 ZINC001232198633 801814407 /nfs/dbraw/zinc/81/44/07/801814407.db2.gz YRHIMXDGXRPUCK-UHFFFAOYSA-N 1 0 322.836 2.255 20 10 DECDRO C[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198483 801815102 /nfs/dbraw/zinc/81/51/02/801815102.db2.gz UIRYURKOHMVEMN-UHFFFAOYSA-N 1 0 323.868 2.314 20 10 DECDRO O=C1CCCN1C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262721 801830734 /nfs/dbraw/zinc/83/07/34/801830734.db2.gz NOCXVYPMVVHUIP-UHFFFAOYSA-N 1 0 324.808 2.338 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC12CC2 ZINC001232263857 801833011 /nfs/dbraw/zinc/83/30/11/801833011.db2.gz DWNLEDMCZBAORQ-JTQLQIEISA-N 1 0 311.765 2.136 20 10 DECDRO C[N@H+](CCF)Cc1ccc(I)cc1O ZINC001232980886 801994803 /nfs/dbraw/zinc/99/48/03/801994803.db2.gz SCTKGYVEVMAHCG-UHFFFAOYSA-N 1 0 309.122 2.398 20 10 DECDRO CCOC(=O)c1c(CN(C)CC[NH+](C)C)c2ccccc2n1C ZINC001233270698 802059983 /nfs/dbraw/zinc/05/99/83/802059983.db2.gz WZOXRRVDFUQHLN-UHFFFAOYSA-N 1 0 317.433 2.348 20 10 DECDRO C[C@H](Oc1cccc2c1C(=O)c1cccc(O)c1C2=O)C1C[NH2+]C1 ZINC001218197120 802154392 /nfs/dbraw/zinc/15/43/92/802154392.db2.gz YRGMIVKTWAOACO-JTQLQIEISA-N 1 0 323.348 2.154 20 10 DECDRO Oc1c(C[N@@H+]2CCC3(C2)OCCO3)cccc1OC(F)(F)F ZINC001233754845 802196996 /nfs/dbraw/zinc/19/69/96/802196996.db2.gz MWLVKKCBJCHIJE-UHFFFAOYSA-N 1 0 319.279 2.240 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)c2c1 ZINC001234525860 802403418 /nfs/dbraw/zinc/40/34/18/802403418.db2.gz LSWVQBLWLAMMQK-WBVHZDCISA-N 1 0 305.349 2.459 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCNC2=O)c(C(F)(F)F)c1 ZINC001335132390 1150378258 /nfs/dbraw/zinc/37/82/58/1150378258.db2.gz NUQLBSAOEUPWIR-CQSZACIVSA-N 1 0 315.339 2.140 20 10 DECDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001345390765 1150886285 /nfs/dbraw/zinc/88/62/85/1150886285.db2.gz FUMRBLFOFLCWLS-ZDUSSCGKSA-N 1 0 311.813 2.329 20 10 DECDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001346253123 1150960376 /nfs/dbraw/zinc/96/03/76/1150960376.db2.gz ZCYYRZYXBOCQSE-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[N@@H+](C2CCC2)C1 ZINC001346739342 1151019514 /nfs/dbraw/zinc/01/95/14/1151019514.db2.gz PXUVHVFMYLVTHH-CQSZACIVSA-N 1 0 316.449 2.285 20 10 DECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC001524020144 1069795544 /nfs/dbraw/zinc/79/55/44/1069795544.db2.gz XDEQOHGBSMWNDU-CYBMUJFWSA-N 1 0 323.437 2.320 20 10 DECDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001604339604 1070339553 /nfs/dbraw/zinc/33/95/53/1070339553.db2.gz ZYZBWFYMQXMCHH-GFCCVEGCSA-N 1 0 306.406 2.473 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001464233959 1059097585 /nfs/dbraw/zinc/09/75/85/1059097585.db2.gz KMJUZKAMCLOEAV-KGLIPLIRSA-N 1 0 315.377 2.206 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[N@@H+]3CC[C@@H](F)C3)ccc21 ZINC001464522944 1059148640 /nfs/dbraw/zinc/14/86/40/1059148640.db2.gz XKQMLNOBRNPSEI-MRXNPFEDSA-N 1 0 319.424 2.119 20 10 DECDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC001472331243 1060476709 /nfs/dbraw/zinc/47/67/09/1060476709.db2.gz PQOGAGPUOONKIH-UKRRQHHQSA-N 1 0 318.417 2.433 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)c2c(C)nn(C)c2C)cc1C ZINC001474296892 1060844634 /nfs/dbraw/zinc/84/46/34/1060844634.db2.gz KRPPUGAHJQKOFJ-OAHLLOKOSA-N 1 0 303.406 2.177 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2nccs2)cc1C ZINC001480559896 1063034264 /nfs/dbraw/zinc/03/42/64/1063034264.db2.gz QFORYFPTWWTKJI-LBPRGKRZSA-N 1 0 319.430 2.368 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCOC2)cc1C ZINC001568611995 1064990837 /nfs/dbraw/zinc/99/08/37/1064990837.db2.gz LRFXAPDIOGRPPE-ZBFHGGJFSA-N 1 0 320.433 2.025 20 10 DECDRO CCC(=O)N1CCC[N@H+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001621168952 1078170817 /nfs/dbraw/zinc/17/08/17/1078170817.db2.gz QDFBUKLMARAHNH-UHFFFAOYSA-N 1 0 306.406 2.154 20 10 DECDRO C[C@@H](C[N@H+](C)CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569153042 1065324834 /nfs/dbraw/zinc/32/48/34/1065324834.db2.gz OHPYDYSJHNVXAI-NSHDSACASA-N 1 0 317.393 2.309 20 10 DECDRO CC(C)C[NH2+]CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001575600351 1066366338 /nfs/dbraw/zinc/36/63/38/1066366338.db2.gz MYWXFFPXPQHZIQ-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001497853794 1066366403 /nfs/dbraw/zinc/36/64/03/1066366403.db2.gz UNZVDQXNIBDGCP-CQSZACIVSA-N 1 0 322.449 2.271 20 10 DECDRO C[NH+](C)CCc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001635850507 1078460366 /nfs/dbraw/zinc/46/03/66/1078460366.db2.gz NZKAPHDHGFEXEC-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO COc1ccc(CN[C@H](C[NH3+])CC(C)C)cc1Cn1cccn1 ZINC001579216106 1067261534 /nfs/dbraw/zinc/26/15/34/1067261534.db2.gz CJLKBKCTHPVJBI-KRWDZBQOSA-N 1 0 316.449 2.403 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001579230277 1067265503 /nfs/dbraw/zinc/26/55/03/1067265503.db2.gz DDMIWAACAXJITF-IJLUTSLNSA-N 1 0 307.394 2.031 20 10 DECDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001637200033 1078508055 /nfs/dbraw/zinc/50/80/55/1078508055.db2.gz ASKDEDVSXYDCHH-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1COC(C)(C)[NH2+]1 ZINC001579616895 1067387165 /nfs/dbraw/zinc/38/71/65/1067387165.db2.gz IJXVXBXCGLPNTE-OAHLLOKOSA-N 1 0 319.449 2.182 20 10 DECDRO [NH3+]C1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC001580152903 1067510957 /nfs/dbraw/zinc/51/09/57/1067510957.db2.gz XIMGXINECKTYNM-UHFFFAOYSA-N 1 0 303.175 2.265 20 10 DECDRO [NH3+][C@H]1CC=C(C(=O)N2CCOc3c(Br)cccc32)C1 ZINC001580171808 1067516981 /nfs/dbraw/zinc/51/69/81/1067516981.db2.gz XNKWJNIOOQPQBS-JTQLQIEISA-N 1 0 323.190 2.222 20 10 DECDRO [NH3+]CC[C@H](NCc1ccc(Br)cc1O)C(F)F ZINC001580284598 1067550961 /nfs/dbraw/zinc/55/09/61/1067550961.db2.gz KVMPWESZOLYRFQ-VIFPVBQESA-N 1 0 309.154 2.227 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2(F)F)cc1C ZINC001267370795 1078800054 /nfs/dbraw/zinc/80/00/54/1078800054.db2.gz QZBVRDCXNWWNDB-ZDUSSCGKSA-N 1 0 312.360 2.207 20 10 DECDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272385801 1078845687 /nfs/dbraw/zinc/84/56/87/1078845687.db2.gz FMBMMALOHMLFLY-UGSOOPFHSA-N 1 0 318.417 2.321 20 10 DECDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001272387266 1078847084 /nfs/dbraw/zinc/84/70/84/1078847084.db2.gz VIVBUQLWZKHGPQ-HZPDHXFCSA-N 1 0 318.417 2.463 20 10 DECDRO COCC[C@H]([NH3+])C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001573975452 1069138679 /nfs/dbraw/zinc/13/86/79/1069138679.db2.gz LLJKFCHLWDXRMA-KRWDZBQOSA-N 1 0 315.417 2.074 20 10 DECDRO c1c(CNCc2ccc3c(c2)CCO3)nnn1-c1ccccc1 ZINC001620760559 1069153810 /nfs/dbraw/zinc/15/38/10/1069153810.db2.gz IIVFZAYONQWQAS-UHFFFAOYSA-N 1 0 306.369 2.492 20 10 DECDRO CC(C)C[NH+]1CCC(C(=O)NCc2cc(O)ccc2O)CC1 ZINC001558175593 1075084764 /nfs/dbraw/zinc/08/47/64/1075084764.db2.gz WWXXYMUMICZFLJ-UHFFFAOYSA-N 1 0 306.406 2.082 20 10 DECDRO COc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001559110107 1075113263 /nfs/dbraw/zinc/11/32/63/1075113263.db2.gz QEDSJPUOZRMZJE-GFCCVEGCSA-N 1 0 323.393 2.390 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC001560385218 1075139298 /nfs/dbraw/zinc/13/92/98/1075139298.db2.gz QQOZFOAIDUKDQI-RDTXWAMCSA-N 1 0 301.434 2.295 20 10 DECDRO O=C(NCCC[NH2+]C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001580683722 1075976224 /nfs/dbraw/zinc/97/62/24/1075976224.db2.gz ALYHTCBGTYIHOT-UHFFFAOYSA-N 1 0 306.387 2.184 20 10 DECDRO O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001580708949 1075979592 /nfs/dbraw/zinc/97/95/92/1075979592.db2.gz ZOIDNERXAPDUKT-XBFCOCLRSA-N 1 0 304.390 2.025 20 10 DECDRO C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001587223276 1076414236 /nfs/dbraw/zinc/41/42/36/1076414236.db2.gz JGVVTRIOOKAMIO-GXFFZTMASA-N 1 0 303.366 2.062 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1O ZINC001591730373 1076779827 /nfs/dbraw/zinc/77/98/27/1076779827.db2.gz JQGJRYKZBXVUAS-SECBINFHSA-N 1 0 301.375 2.485 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC001653047437 1079910734 /nfs/dbraw/zinc/91/07/34/1079910734.db2.gz FZVBDILSAISLMD-LIMHQNJXSA-N 1 0 319.424 2.301 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001653069720 1079912172 /nfs/dbraw/zinc/91/21/72/1079912172.db2.gz RYVPPXSVNXBOPR-HOCLYGCPSA-N 1 0 323.458 2.382 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c(O)c1 ZINC001653180815 1079916433 /nfs/dbraw/zinc/91/64/33/1079916433.db2.gz DFUXYDWMZVRHCJ-OAHLLOKOSA-N 1 0 320.389 2.030 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC001654734890 1079975465 /nfs/dbraw/zinc/97/54/65/1079975465.db2.gz LBQZKVZFJWPBAD-AWEZNQCLSA-N 1 0 311.385 2.238 20 10 DECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655597111 1080007845 /nfs/dbraw/zinc/00/78/45/1080007845.db2.gz KNHJHYQYLBJUHD-KDOFPFPSSA-N 1 0 323.456 2.074 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001656290998 1080076835 /nfs/dbraw/zinc/07/68/35/1080076835.db2.gz XNQVUFARDRNHJP-CYBMUJFWSA-N 1 0 309.385 2.212 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCN2CCOCC2(C)C)cc1F ZINC001657088580 1080155405 /nfs/dbraw/zinc/15/54/05/1080155405.db2.gz XJZGKLVVQUJQNR-UHFFFAOYSA-N 1 0 309.429 2.092 20 10 DECDRO COc1cc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)ccn1 ZINC001658688858 1080215397 /nfs/dbraw/zinc/21/53/97/1080215397.db2.gz IGAQHYJUFRCEEM-UHFFFAOYSA-N 1 0 318.373 2.145 20 10 DECDRO 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DECDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235681110 1084496172 /nfs/dbraw/zinc/49/61/72/1084496172.db2.gz YFSRMLNBTQWDTH-INIZCTEOSA-N 1 0 306.450 2.452 20 10 DECDRO c1ccc(OC2CN(Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235705690 1084508269 /nfs/dbraw/zinc/50/82/69/1084508269.db2.gz NJQCUGZGYWRTCM-UHFFFAOYSA-N 1 0 323.440 2.359 20 10 DECDRO COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001235781594 1084527927 /nfs/dbraw/zinc/52/79/27/1084527927.db2.gz WBVNCJXZDKVGGB-DZGCQCFKSA-N 1 0 320.433 2.012 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH2+]C3(CC3)C2)c(OC)c1 ZINC001235931486 1084567068 /nfs/dbraw/zinc/56/70/68/1084567068.db2.gz BDIVEDGZZKMESI-UHFFFAOYSA-N 1 0 303.450 2.479 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(O)c1 ZINC001236061506 1084600717 /nfs/dbraw/zinc/60/07/17/1084600717.db2.gz UNIYYDDGZVJDAI-HOCLYGCPSA-N 1 0 303.450 2.422 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+][C@@H](CCO)C2)cc1 ZINC001236085934 1084610324 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CCOc1cccc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)c1O ZINC000886360466 1093744785 /nfs/dbraw/zinc/74/47/85/1093744785.db2.gz WPIXKEJLWMNUGH-GJZGRUSLSA-N 1 0 309.406 2.322 20 10 DECDRO CN1CCOc2cc(CN(C3CC3)[C@H]3CCC[NH2+]C3)ccc21 ZINC001236239320 1138342841 /nfs/dbraw/zinc/34/28/41/1138342841.db2.gz JTIMHWCZSWKERP-INIZCTEOSA-N 1 0 301.434 2.232 20 10 DECDRO COCCN(Cc1cccc(C(C)(C)C)c1O)[C@H]1CC[NH2+]C1 ZINC001236333939 1138353461 /nfs/dbraw/zinc/35/34/61/1138353461.db2.gz MLNBKIRVZUMHCW-HNNXBMFYSA-N 1 0 306.450 2.500 20 10 DECDRO COC(=O)c1c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c2ccccc2n1C ZINC001236424624 1138360650 /nfs/dbraw/zinc/36/06/50/1138360650.db2.gz OXZGWQIROMSSSY-STQMWFEESA-N 1 0 315.417 2.147 20 10 DECDRO C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@H](C)[NH2+]1 ZINC001236424521 1138360880 /nfs/dbraw/zinc/36/08/80/1138360880.db2.gz KYFZXZLIUYPECY-UWVGGRQHSA-N 1 0 304.312 2.473 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)cc1OC ZINC001236751199 1138408076 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Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001338751776 1142875947 /nfs/dbraw/zinc/87/59/47/1142875947.db2.gz QZKKKMUJKDBLKT-AWEZNQCLSA-N 1 0 300.406 2.406 20 10 DECDRO COc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC001253975652 1143015324 /nfs/dbraw/zinc/01/53/24/1143015324.db2.gz KZQYBJBHXAVQDW-ZIAGYGMSSA-N 1 0 317.385 2.491 20 10 DECDRO COc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(C)c2O)c1 ZINC001253978214 1143017159 /nfs/dbraw/zinc/01/71/59/1143017159.db2.gz NOQXBMXEWOAMQC-HNNXBMFYSA-N 1 0 317.385 2.239 20 10 DECDRO C[NH2+]CCCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001340064787 1143250744 /nfs/dbraw/zinc/25/07/44/1143250744.db2.gz UVSMDKURJIPSDU-HNNXBMFYSA-N 1 0 319.449 2.090 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NOC[C@@H](C)[NH3+])c2C)cc1 ZINC001341404886 1143596466 /nfs/dbraw/zinc/59/64/66/1143596466.db2.gz LVLLSNIWOONVSC-LLVKDONJSA-N 1 0 317.389 2.111 20 10 DECDRO COc1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001255496327 1143712276 /nfs/dbraw/zinc/71/22/76/1143712276.db2.gz ZZMUZUKUDLRFKT-INIZCTEOSA-N 1 0 303.450 2.220 20 10 DECDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001255856785 1143810972 /nfs/dbraw/zinc/81/09/72/1143810972.db2.gz XIOKUIKSSMQLMY-DIFFPNOSSA-N 1 0 305.349 2.491 20 10 DECDRO CC[C@](C)(C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001261256389 1144228327 /nfs/dbraw/zinc/22/83/27/1144228327.db2.gz FSNZJROCKYRXPM-GOSISDBHSA-N 1 0 323.456 2.482 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCCS(C)(=O)=O ZINC001308442901 1147473669 /nfs/dbraw/zinc/47/36/69/1147473669.db2.gz ZRIIJYLXDAZPAI-UHFFFAOYSA-N 1 0 308.447 2.401 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cscn2)cc1C ZINC001317228161 1147679675 /nfs/dbraw/zinc/67/96/75/1147679675.db2.gz GFQZTWVZOCHBTI-LBPRGKRZSA-N 1 0 319.430 2.368 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2F)CC1 ZINC001324919927 1147857966 /nfs/dbraw/zinc/85/79/66/1147857966.db2.gz IBFZYFXEEHBNBR-HNNXBMFYSA-N 1 0 323.481 2.420 20 10 DECDRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325300530 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ZINC000106702055 194245183 /nfs/dbraw/zinc/24/51/83/194245183.db2.gz OIOXUDMIGZDXBW-UHFFFAOYSA-N 1 0 319.424 2.384 20 10 DECDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccc1O ZINC000183448167 533426652 /nfs/dbraw/zinc/42/66/52/533426652.db2.gz OGBKDVIVOINDKK-PBHICJAKSA-N 1 0 322.474 2.251 20 10 DECDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273621560 130146445 /nfs/dbraw/zinc/14/64/45/130146445.db2.gz ZFVLBVMRKVJKHC-KOLCDFICSA-N 1 0 318.211 2.203 20 10 DECDRO COCCOCCOCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000274376670 130229497 /nfs/dbraw/zinc/22/94/97/130229497.db2.gz HUYBRCLTVJKPNO-UHFFFAOYSA-N 1 0 311.422 2.163 20 10 DECDRO CS(=O)(=O)CCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000274717757 130256399 /nfs/dbraw/zinc/25/63/99/130256399.db2.gz CVPFGMNEKFDOAL-UHFFFAOYSA-N 1 0 305.827 2.350 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285488650 131173203 /nfs/dbraw/zinc/17/32/03/131173203.db2.gz LWLRQIXNDKVOAU-INIZCTEOSA-N 1 0 317.433 2.470 20 10 DECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000289079361 131356200 /nfs/dbraw/zinc/35/62/00/131356200.db2.gz OAHQUZALSWOWCS-TZMCWYRMSA-N 1 0 304.390 2.180 20 10 DECDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000131041996 401843468 /nfs/dbraw/zinc/84/34/68/401843468.db2.gz SLXVGCXGNJOBEI-VVVCHXIZSA-N 1 0 320.252 2.354 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000078643804 401859824 /nfs/dbraw/zinc/85/98/24/401859824.db2.gz JCKDXOHEYWFRTH-OAHLLOKOSA-N 1 0 316.449 2.036 20 10 DECDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000133581834 401891056 /nfs/dbraw/zinc/89/10/56/401891056.db2.gz LOPCEJRUWXYPDF-QGZVFWFLSA-N 1 0 301.434 2.339 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000093645467 402017434 /nfs/dbraw/zinc/01/74/34/402017434.db2.gz SEJRFIDWELBWPK-SFHVURJKSA-N 1 0 302.418 2.134 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664486 402018620 /nfs/dbraw/zinc/01/86/20/402018620.db2.gz HOUALGJWABUOMO-ZDUSSCGKSA-N 1 0 310.825 2.200 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCOC1 ZINC000151519964 402041473 /nfs/dbraw/zinc/04/14/73/402041473.db2.gz HTYKPNXPYPWXJN-HIFRSBDPSA-N 1 0 322.424 2.301 20 10 DECDRO C[C@H](NCCC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151921068 402065820 /nfs/dbraw/zinc/06/58/20/402065820.db2.gz ZILKOZMTFOOIMV-AWEZNQCLSA-N 1 0 309.429 2.265 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000054511045 402068289 /nfs/dbraw/zinc/06/82/89/402068289.db2.gz HMZOFNPBOCIGEF-CQSZACIVSA-N 1 0 305.422 2.266 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000184703834 402293063 /nfs/dbraw/zinc/29/30/63/402293063.db2.gz QUOMLYVJBILHCE-UHFFFAOYSA-N 1 0 314.813 2.258 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186128558 402403676 /nfs/dbraw/zinc/40/36/76/402403676.db2.gz CNXRDPYCYKQBMW-GFCCVEGCSA-N 1 0 324.396 2.209 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000186868906 402468383 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/nfs/dbraw/zinc/15/14/82/403151482.db2.gz IOULCIRAMNBGAZ-QGZVFWFLSA-N 1 0 309.406 2.308 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000285387080 403285123 /nfs/dbraw/zinc/28/51/23/403285123.db2.gz CYYKLMYIZZWGDA-UHFFFAOYSA-N 1 0 310.195 2.449 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1OC ZINC000295185131 403787041 /nfs/dbraw/zinc/78/70/41/403787041.db2.gz IDGRKCSXRKWCFF-ZDUSSCGKSA-N 1 0 309.406 2.392 20 10 DECDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000290055124 404021188 /nfs/dbraw/zinc/02/11/88/404021188.db2.gz FHXWTNPHUJXHNA-QWRKXWFKSA-N 1 0 316.195 2.219 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290207626 404081899 /nfs/dbraw/zinc/08/18/99/404081899.db2.gz VLMJZOISYRYBHF-MRXNPFEDSA-N 1 0 324.490 2.447 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)cc1 ZINC000296009787 404051378 /nfs/dbraw/zinc/05/13/78/404051378.db2.gz RAELKLJADMULGM-OAHLLOKOSA-N 1 0 305.466 2.250 20 10 DECDRO CS[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000296467443 404262156 /nfs/dbraw/zinc/26/21/56/404262156.db2.gz XRADXOUAPOHMNU-INIZCTEOSA-N 1 0 321.490 2.148 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000364069000 404305805 /nfs/dbraw/zinc/30/58/05/404305805.db2.gz FKMUCTQTAUACIQ-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296626101 404311248 /nfs/dbraw/zinc/31/12/48/404311248.db2.gz ZNWJNLXQMBREPW-CABCVRRESA-N 1 0 312.417 2.372 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000366253625 404780448 /nfs/dbraw/zinc/78/04/48/404780448.db2.gz VYOXBMUYYMESON-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(C(F)(F)F)cc1O ZINC000530220043 405776964 /nfs/dbraw/zinc/77/69/64/405776964.db2.gz BDPWGIBUEHXQOZ-WCQYABFASA-N 1 0 318.339 2.440 20 10 DECDRO Cn1cc(C(=O)N2CCc3ccccc32)c([C@H]2CCC[NH2+]C2)n1 ZINC000333811388 226110826 /nfs/dbraw/zinc/11/08/26/226110826.db2.gz JJIWZMPEHLWHGU-AWEZNQCLSA-N 1 0 310.401 2.090 20 10 DECDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)cn1 ZINC000374247725 227130497 /nfs/dbraw/zinc/13/04/97/227130497.db2.gz OUWJYTFWFXSLAL-ZDUSSCGKSA-N 1 0 306.797 2.148 20 10 DECDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000374901693 227140747 /nfs/dbraw/zinc/14/07/47/227140747.db2.gz WXVABGXNLCFOGJ-RDJZCZTQSA-N 1 0 319.380 2.353 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377400774 227190371 /nfs/dbraw/zinc/19/03/71/227190371.db2.gz GYQZLTHDNFMGFX-YJBOKZPZSA-N 1 0 315.369 2.375 20 10 DECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000347727195 300064506 /nfs/dbraw/zinc/06/45/06/300064506.db2.gz RTRVHUYEGQORDN-KBPBESRZSA-N 1 0 317.433 2.351 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000368460749 534198209 /nfs/dbraw/zinc/19/82/09/534198209.db2.gz CBXGWULVSZQGNS-MRXNPFEDSA-N 1 0 318.417 2.378 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCCCNC2=O)cc1 ZINC000835029396 649869136 /nfs/dbraw/zinc/86/91/36/649869136.db2.gz XKVWESYRRSTUDM-LXXRFIIISA-N 1 0 301.434 2.366 20 10 DECDRO COCCN1CCC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036105 649869952 /nfs/dbraw/zinc/86/99/52/649869952.db2.gz HSSZLNOKHVLBMT-UTSMFGRCSA-N 1 0 317.477 2.466 20 10 DECDRO CCCOc1ccc(C[NH+]2CCN(CCOCC)CC2)c(O)c1 ZINC000127467683 520348155 /nfs/dbraw/zinc/34/81/55/520348155.db2.gz GKXWGLPUEZTSSY-UHFFFAOYSA-N 1 0 322.449 2.335 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000188722038 520892587 /nfs/dbraw/zinc/89/25/87/520892587.db2.gz DWZKAYJHZIGELL-MRXNPFEDSA-N 1 0 305.466 2.031 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1 ZINC000237139413 522015508 /nfs/dbraw/zinc/01/55/08/522015508.db2.gz KOZGWXUJNDXUHG-KRWDZBQOSA-N 1 0 315.392 2.370 20 10 DECDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000180324413 523973800 /nfs/dbraw/zinc/97/38/00/523973800.db2.gz IWNHOBNETZGWJF-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172705 524022295 /nfs/dbraw/zinc/02/22/95/524022295.db2.gz FZSUGYJAKGKOTN-OAHLLOKOSA-N 1 0 310.413 2.377 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000157550263 524893419 /nfs/dbraw/zinc/89/34/19/524893419.db2.gz ZXCPKFMKZSKMBH-DGAVXFQQSA-N 1 0 320.433 2.406 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188898637 524995968 /nfs/dbraw/zinc/99/59/68/524995968.db2.gz LSWCDBJKWYRADK-OAHLLOKOSA-N 1 0 305.466 2.030 20 10 DECDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000127779800 525374080 /nfs/dbraw/zinc/37/40/80/525374080.db2.gz RAHPBGCOHRCDIU-HNNXBMFYSA-N 1 0 314.433 2.150 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000179954017 526156833 /nfs/dbraw/zinc/15/68/33/526156833.db2.gz UWHXMTVYIYHLTC-JTQLQIEISA-N 1 0 300.196 2.277 20 10 DECDRO Cc1cc(C(=O)NC2(C[NH3+])CCCC2)c(C)n1-c1ccccn1 ZINC000237713919 526263739 /nfs/dbraw/zinc/26/37/39/526263739.db2.gz CRKJBPXKXJRASI-UHFFFAOYSA-N 1 0 312.417 2.490 20 10 DECDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000179934484 527596822 /nfs/dbraw/zinc/59/68/22/527596822.db2.gz PPUFRNDHCIFKAS-CYBMUJFWSA-N 1 0 306.381 2.270 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](c2nncn2C)C(C)C)cc1OC ZINC000289076985 536856414 /nfs/dbraw/zinc/85/64/14/536856414.db2.gz AQBDBNBLDXYNNF-HNNXBMFYSA-N 1 0 320.393 2.025 20 10 DECDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000835071701 649874916 /nfs/dbraw/zinc/87/49/16/649874916.db2.gz SUBLKOJUHPISGH-ZDUSSCGKSA-N 1 0 311.385 2.442 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000840894136 625653144 /nfs/dbraw/zinc/65/31/44/625653144.db2.gz PISGRIVPABIMSN-ZIAGYGMSSA-N 1 0 312.479 2.015 20 10 DECDRO CO[C@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247572 623792628 /nfs/dbraw/zinc/79/26/28/623792628.db2.gz IGJHHZZLCLAZTI-RHSMWYFYSA-N 1 0 321.465 2.287 20 10 DECDRO CCC[C@@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251065 623797290 /nfs/dbraw/zinc/79/72/90/623797290.db2.gz CUXVOBBFESLMRC-FUHWJXTLSA-N 1 0 321.465 2.023 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc[nH]2)[NH+](C)C)cc1 ZINC000891254743 623800197 /nfs/dbraw/zinc/80/01/97/623800197.db2.gz IUFFSMHVUAGKRG-INIZCTEOSA-N 1 0 300.406 2.113 20 10 DECDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000178306771 624572143 /nfs/dbraw/zinc/57/21/43/624572143.db2.gz VIZRAFQVGFZZJZ-INIZCTEOSA-N 1 0 303.450 2.270 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(N(C)C)cc1 ZINC000891813891 624612551 /nfs/dbraw/zinc/61/25/51/624612551.db2.gz MYZPRLCMPPMCIP-DHSIGJKJSA-N 1 0 316.449 2.065 20 10 DECDRO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065619650 625126544 /nfs/dbraw/zinc/12/65/44/625126544.db2.gz HRXCDYYCHVGREV-OAHLLOKOSA-N 1 0 319.449 2.042 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000892614958 625196491 /nfs/dbraw/zinc/19/64/91/625196491.db2.gz OWYGGQGVKNQRJG-HOCLYGCPSA-N 1 0 324.490 2.446 20 10 DECDRO CSCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892655501 625230133 /nfs/dbraw/zinc/23/01/33/625230133.db2.gz RYZATJFZUIZFKY-OAHLLOKOSA-N 1 0 324.494 2.018 20 10 DECDRO COc1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c1OC ZINC000893002697 625877653 /nfs/dbraw/zinc/87/76/53/625877653.db2.gz AYAKWHNBYARFOZ-OAQYLSRUSA-N 1 0 315.435 2.046 20 10 DECDRO CN(Cc1cc[nH]c(=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893570691 634771488 /nfs/dbraw/zinc/77/14/88/634771488.db2.gz GVYXJLPMZDMNHN-UHFFFAOYSA-N 1 0 301.390 2.364 20 10 DECDRO CC(=O)N1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921698244 634780720 /nfs/dbraw/zinc/78/07/20/634780720.db2.gz LSBQXHCOCCOYQG-UHFFFAOYSA-N 1 0 302.418 2.360 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000893626728 635288818 /nfs/dbraw/zinc/28/88/18/635288818.db2.gz UXJRRRDYCDYBMT-QMTHXVAHSA-N 1 0 323.824 2.328 20 10 DECDRO c1cc2c(cc1C[NH2+]C[C@H]1COC3(CCOCC3)O1)CCCO2 ZINC000921974348 635779723 /nfs/dbraw/zinc/77/97/23/635779723.db2.gz OGGJXODATGUPQA-INIZCTEOSA-N 1 0 319.401 2.023 20 10 DECDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]2CCCCN12 ZINC000922171902 635964618 /nfs/dbraw/zinc/96/46/18/635964618.db2.gz KWFDFSAFIGTZHX-JKSUJKDBSA-N 1 0 300.402 2.255 20 10 DECDRO CNC(=O)NC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000840974235 635977333 /nfs/dbraw/zinc/97/73/33/635977333.db2.gz BYVITINVKHASAJ-PLNGDYQASA-N 1 0 316.449 2.159 20 10 DECDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893717148 635994843 /nfs/dbraw/zinc/99/48/43/635994843.db2.gz NVHBKWKHROOIMY-QGZVFWFLSA-N 1 0 309.406 2.394 20 10 DECDRO COC(=O)c1c(C[N@H+](C)[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894002938 636088339 /nfs/dbraw/zinc/08/83/39/636088339.db2.gz YTHMAPKSYPZFJH-GFCCVEGCSA-N 1 0 320.364 2.325 20 10 DECDRO C[NH+](C)CCOC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894016326 636093253 /nfs/dbraw/zinc/09/32/53/636093253.db2.gz BCDSOMBRLJALPS-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO COC(=O)c1c(C[N@H+](C)CC[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894034640 636094455 /nfs/dbraw/zinc/09/44/55/636094455.db2.gz TYGPFIIBMNXSBA-LLVKDONJSA-N 1 0 322.380 2.307 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922592545 636267497 /nfs/dbraw/zinc/26/74/97/636267497.db2.gz RKZWOLPKFLFUJM-OOFWQKGWSA-N 1 0 317.477 2.466 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1 ZINC000922612105 636281668 /nfs/dbraw/zinc/28/16/68/636281668.db2.gz VTVBVKUSNUMIPO-KRWDZBQOSA-N 1 0 309.406 2.465 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2cccs2)c1O ZINC000894188490 636401033 /nfs/dbraw/zinc/40/10/33/636401033.db2.gz ZPMCLUDSCYJPPP-UHFFFAOYSA-N 1 0 320.414 2.290 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000894212008 636476911 /nfs/dbraw/zinc/47/69/11/636476911.db2.gz VWOCTJILHVVZQY-UHFFFAOYSA-N 1 0 314.385 2.115 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000894236762 636519468 /nfs/dbraw/zinc/51/94/68/636519468.db2.gz XLULMYOMCJASSN-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000319728285 636682991 /nfs/dbraw/zinc/68/29/91/636682991.db2.gz BQVJLSWWHFIEOL-LBPRGKRZSA-N 1 0 318.417 2.452 20 10 DECDRO C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000894287529 636700112 /nfs/dbraw/zinc/70/01/12/636700112.db2.gz VMZNQPXWYVYDHQ-GJZGRUSLSA-N 1 0 318.465 2.455 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)OCO2 ZINC000922895181 636781124 /nfs/dbraw/zinc/78/11/24/636781124.db2.gz CUSAUWIBKRLVPO-SJKOYZFVSA-N 1 0 305.374 2.416 20 10 DECDRO C[NH+](C)C1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000922937188 636867873 /nfs/dbraw/zinc/86/78/73/636867873.db2.gz MIXZECZYOZYXFI-UHFFFAOYSA-N 1 0 309.385 2.203 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC000922950781 636880129 /nfs/dbraw/zinc/88/01/29/636880129.db2.gz DFAJMVMQSYLLOE-SFHVURJKSA-N 1 0 303.450 2.096 20 10 DECDRO O=C(NCc1c(O)cccc1F)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000923128977 636984199 /nfs/dbraw/zinc/98/41/99/636984199.db2.gz OTFQUWPWUAFSQW-LSDHHAIUSA-N 1 0 321.396 2.347 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)o1 ZINC000894463899 637051741 /nfs/dbraw/zinc/05/17/41/637051741.db2.gz KRFVAKYANYEPBF-UHFFFAOYSA-N 1 0 321.329 2.079 20 10 DECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894604766 637123338 /nfs/dbraw/zinc/12/33/38/637123338.db2.gz FTPCDVWNEROMKT-LBPRGKRZSA-N 1 0 324.421 2.051 20 10 DECDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425524 637171315 /nfs/dbraw/zinc/17/13/15/637171315.db2.gz ZTLNPZLGLRTBLZ-GJYPPUQNSA-N 1 0 317.477 2.471 20 10 DECDRO Cc1cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923432217 637177566 /nfs/dbraw/zinc/17/75/66/637177566.db2.gz YEBVGZXCWKVQIC-CHWSQXEVSA-N 1 0 301.356 2.382 20 10 DECDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1ccc(N2CCOCC2)cc1 ZINC000923436191 637179132 /nfs/dbraw/zinc/17/91/32/637179132.db2.gz OJOQONUQNOZAGG-HRCADAONSA-N 1 0 303.450 2.094 20 10 DECDRO O=C(NCc1c(O)cccc1F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000923450170 637188481 /nfs/dbraw/zinc/18/84/81/637188481.db2.gz FSPAJQLOKXQFMO-CYBMUJFWSA-N 1 0 321.396 2.347 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000067449701 637589372 /nfs/dbraw/zinc/58/93/72/637589372.db2.gz UATBIRVGVYEJCE-UHFFFAOYSA-N 1 0 318.442 2.316 20 10 DECDRO CC[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)OC ZINC000895140606 637656246 /nfs/dbraw/zinc/65/62/46/637656246.db2.gz UZXZGBKAPXJPJS-JTQLQIEISA-N 1 0 300.349 2.320 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nccn4ccnc34)cc2)CC1 ZINC000895144465 637660879 /nfs/dbraw/zinc/66/08/79/637660879.db2.gz KKIOOLMHHGXPNB-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO COC[C@H](C)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143578 637804115 /nfs/dbraw/zinc/80/41/15/637804115.db2.gz ALYFXLGTHLMJLP-GFCCVEGCSA-N 1 0 314.376 2.174 20 10 DECDRO Cc1ncc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000839169744 637808592 /nfs/dbraw/zinc/80/85/92/637808592.db2.gz IUCRXHOPGZSBGZ-UHFFFAOYSA-N 1 0 300.406 2.025 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)cc1OC ZINC000839180501 637812052 /nfs/dbraw/zinc/81/20/52/637812052.db2.gz DOOZIXQVMQZIHI-HZPDHXFCSA-N 1 0 307.390 2.457 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COCC(C)C)c(Cl)c1 ZINC000840885019 650371243 /nfs/dbraw/zinc/37/12/43/650371243.db2.gz SRYVRHUYGBYKDF-LBPRGKRZSA-N 1 0 301.814 2.477 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000840897531 650372550 /nfs/dbraw/zinc/37/25/50/650372550.db2.gz LQAAWKTWBHXWKJ-UHFFFAOYSA-N 1 0 301.438 2.150 20 10 DECDRO CN(C)c1ncc(C[NH2+]CCCSc2nccs2)n1C ZINC000840900894 650374276 /nfs/dbraw/zinc/37/42/76/650374276.db2.gz YNTDBNHAUABOAU-UHFFFAOYSA-N 1 0 311.480 2.215 20 10 DECDRO O=C1N(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12 ZINC000895343420 637948906 /nfs/dbraw/zinc/94/89/06/637948906.db2.gz RGSYEUDCTOMTRW-INIZCTEOSA-N 1 0 315.417 2.001 20 10 DECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727468220 637954398 /nfs/dbraw/zinc/95/43/98/637954398.db2.gz HGYFBYOLUHRWOU-NVXWUHKLSA-N 1 0 308.397 2.319 20 10 DECDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)CC1 ZINC000841297124 638018896 /nfs/dbraw/zinc/01/88/96/638018896.db2.gz AMEOGPYEVWSLJP-AWEZNQCLSA-N 1 0 302.422 2.464 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000840933127 650389176 /nfs/dbraw/zinc/38/91/76/650389176.db2.gz XRVFDIRQOADCPG-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370640 638064881 /nfs/dbraw/zinc/06/48/81/638064881.db2.gz GHMUTNHPQKPHET-GDBMZVCRSA-N 1 0 322.474 2.200 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000840973828 650397906 /nfs/dbraw/zinc/39/79/06/650397906.db2.gz WFVDNFMCFIHXIA-UHFFFAOYSA-N 1 0 305.827 2.268 20 10 DECDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000743812532 638175909 /nfs/dbraw/zinc/17/59/09/638175909.db2.gz AJTFFMXRAWZCCF-AWEZNQCLSA-N 1 0 304.438 2.036 20 10 DECDRO O=[N+]([O-])c1cc(CNC2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841028469 650408170 /nfs/dbraw/zinc/40/81/70/650408170.db2.gz GOESSEPSGCXNTB-UHFFFAOYSA-N 1 0 318.421 2.427 20 10 DECDRO COc1cccc(C[NH2+]CCCNCc2cccnc2)c1O ZINC000841042159 650411566 /nfs/dbraw/zinc/41/15/66/650411566.db2.gz MASXOQIIJLHZPF-UHFFFAOYSA-N 1 0 301.390 2.065 20 10 DECDRO [NH3+]C1(CNCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000841039435 650411901 /nfs/dbraw/zinc/41/19/01/650411901.db2.gz OVEGETIYYDMAID-UHFFFAOYSA-N 1 0 321.440 2.414 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(O)c1OC ZINC000896060541 638332117 /nfs/dbraw/zinc/33/21/17/638332117.db2.gz KNXXWVNFPQOYER-GXTWGEPZSA-N 1 0 307.390 2.410 20 10 DECDRO CC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]CC1 ZINC000841058645 650416889 /nfs/dbraw/zinc/41/68/89/650416889.db2.gz ZVCGQDFRISFJHJ-UHFFFAOYSA-N 1 0 313.785 2.433 20 10 DECDRO NC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000841086289 650426929 /nfs/dbraw/zinc/42/69/29/650426929.db2.gz HRWKDLKWYIWIND-SFHVURJKSA-N 1 0 303.450 2.130 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1O ZINC000896426207 638517134 /nfs/dbraw/zinc/51/71/34/638517134.db2.gz CBYUGVFPYQKOIU-LSDHHAIUSA-N 1 0 322.474 2.379 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCCC[C@@H]1C ZINC000748458670 638558060 /nfs/dbraw/zinc/55/80/60/638558060.db2.gz AKPHBPCSVUGKQR-KBPBESRZSA-N 1 0 305.422 2.454 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCCC[C@H]1C ZINC000748458671 638558471 /nfs/dbraw/zinc/55/84/71/638558471.db2.gz AKPHBPCSVUGKQR-KGLIPLIRSA-N 1 0 305.422 2.454 20 10 DECDRO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3[O-])CC2)C1 ZINC000841104063 650432321 /nfs/dbraw/zinc/43/23/21/650432321.db2.gz MYFDALYZQBWBIF-GDBMZVCRSA-N 1 0 308.397 2.250 20 10 DECDRO CCO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)CN(C)C ZINC000896876222 638748305 /nfs/dbraw/zinc/74/83/05/638748305.db2.gz CFQLWAYPCULQTN-ZDUSSCGKSA-N 1 0 300.830 2.410 20 10 DECDRO CCc1cccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000897021057 639134850 /nfs/dbraw/zinc/13/48/50/639134850.db2.gz RTQWKLRKPPCHJI-HNNXBMFYSA-N 1 0 304.390 2.275 20 10 DECDRO CCO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000897067919 639155443 /nfs/dbraw/zinc/15/54/43/639155443.db2.gz DVAGIAAHKMKGSV-HNNXBMFYSA-N 1 0 308.397 2.273 20 10 DECDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(C)cc(OC)c1O ZINC000754726905 639465088 /nfs/dbraw/zinc/46/50/88/639465088.db2.gz APWNYNWJPCYRSO-UHFFFAOYSA-N 1 0 308.422 2.447 20 10 DECDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897354079 639562788 /nfs/dbraw/zinc/56/27/88/639562788.db2.gz RZBDIEODMCPFHH-JTQLQIEISA-N 1 0 320.414 2.336 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)ccc1O ZINC000756433252 639661949 /nfs/dbraw/zinc/66/19/49/639661949.db2.gz CJOQCWGDCVPWEO-ONGXEEELSA-N 1 0 316.195 2.221 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCN2CCOC[C@@H]2C)c2c1c(F)ccc2O ZINC000756536841 639670468 /nfs/dbraw/zinc/67/04/68/639670468.db2.gz VZJQQAISWNVENH-DYEKYZERSA-N 1 0 308.397 2.390 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCOCC2)c2c1c(F)ccc2O ZINC000756762088 639692932 /nfs/dbraw/zinc/69/29/32/639692932.db2.gz SSZCJBOCXJKSLD-DGCLKSJQSA-N 1 0 309.381 2.458 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(O)c1C ZINC000756775637 639693853 /nfs/dbraw/zinc/69/38/53/639693853.db2.gz JWLFSQDMCWWPEU-CYBMUJFWSA-N 1 0 311.447 2.484 20 10 DECDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)nc1 ZINC000839539103 639752762 /nfs/dbraw/zinc/75/27/62/639752762.db2.gz JGSKGVGMDFPPSJ-NSHDSACASA-N 1 0 316.357 2.433 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1O ZINC000757926503 639896064 /nfs/dbraw/zinc/89/60/64/639896064.db2.gz MDAKIMODYXSDAA-AWEZNQCLSA-N 1 0 301.770 2.103 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000757941371 639898632 /nfs/dbraw/zinc/89/86/32/639898632.db2.gz UEJOQHLGAVMQPM-UHFFFAOYSA-N 1 0 309.413 2.328 20 10 DECDRO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000841692257 650541871 /nfs/dbraw/zinc/54/18/71/650541871.db2.gz FTRPTSZGCAXKPV-CABCVRRESA-N 1 0 318.465 2.231 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1 ZINC000841717976 650550491 /nfs/dbraw/zinc/55/04/91/650550491.db2.gz OYDJGVDDQABYEE-GJZGRUSLSA-N 1 0 318.465 2.425 20 10 DECDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897418223 640077557 /nfs/dbraw/zinc/07/75/57/640077557.db2.gz FSWUWIMHEZSEPM-UHFFFAOYSA-N 1 0 320.414 2.479 20 10 DECDRO O=C(NCCC[NH2+]C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000841709412 650546924 /nfs/dbraw/zinc/54/69/24/650546924.db2.gz FOFRTJMBGBERAW-UHFFFAOYSA-N 1 0 316.449 2.228 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1F ZINC000841761314 650558671 /nfs/dbraw/zinc/55/86/71/650558671.db2.gz OSYCMHLUKVKSKP-OAHLLOKOSA-N 1 0 322.428 2.208 20 10 DECDRO CN(Cc1cnc(N)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223332 640287485 /nfs/dbraw/zinc/28/74/85/640287485.db2.gz PKZZWZGOBRDDSH-UHFFFAOYSA-N 1 0 306.435 2.302 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000841824182 650571024 /nfs/dbraw/zinc/57/10/24/650571024.db2.gz MTBSLFWDERXUCF-UHFFFAOYSA-N 1 0 304.438 2.002 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000841794532 650566307 /nfs/dbraw/zinc/56/63/07/650566307.db2.gz YUKUBJUCWRWDAV-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO [NH3+]C1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000841833070 650574821 /nfs/dbraw/zinc/57/48/21/650574821.db2.gz ZABDREQVEQHHRU-UHFFFAOYSA-N 1 0 314.433 2.132 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1N ZINC000841845653 650577758 /nfs/dbraw/zinc/57/77/58/650577758.db2.gz CMRRHJIHNAKGLN-KRWDZBQOSA-N 1 0 312.417 2.073 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c(O)c1 ZINC000763467887 640545574 /nfs/dbraw/zinc/54/55/74/640545574.db2.gz VAHWYWCHUJCSNB-MRXNPFEDSA-N 1 0 309.406 2.058 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841880581 650590888 /nfs/dbraw/zinc/59/08/88/650590888.db2.gz DCYFURMTRBDYJB-ZFWWWQNUSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@@H](NC(=O)NCCC[NH2+]C1CC1)c1ccc(N(C)C)cc1 ZINC000841880547 650591113 /nfs/dbraw/zinc/59/11/13/650591113.db2.gz CFGKENDMJGVIIP-CYBMUJFWSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841880648 650591233 /nfs/dbraw/zinc/59/12/33/650591233.db2.gz FLMUSIOKLGBROB-XEZPLFJOSA-N 1 0 304.438 2.111 20 10 DECDRO C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841881950 650592197 /nfs/dbraw/zinc/59/21/97/650592197.db2.gz FOFDHSGOXQJPMR-CYBMUJFWSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882960 650592232 /nfs/dbraw/zinc/59/22/32/650592232.db2.gz PYPBNISGGNGGQX-ZIAGYGMSSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000841882070 650592402 /nfs/dbraw/zinc/59/24/02/650592402.db2.gz VXFCOKKAWJHWIR-KDOFPFPSSA-N 1 0 316.449 2.209 20 10 DECDRO COc1cccc(CNC(=O)NCC2([NH3+])CCCCCC2)c1O ZINC000841917340 650602753 /nfs/dbraw/zinc/60/27/53/650602753.db2.gz LCEXYLVXZNSLNY-UHFFFAOYSA-N 1 0 321.421 2.252 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(Cl)cc1O ZINC000841755644 640798331 /nfs/dbraw/zinc/79/83/31/640798331.db2.gz KVGKXKIOINDFCO-SECBINFHSA-N 1 0 303.811 2.273 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841960552 650613711 /nfs/dbraw/zinc/61/37/11/650613711.db2.gz SJMVOPYPWPBMTA-RHSMWYFYSA-N 1 0 318.465 2.183 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841951329 650610528 /nfs/dbraw/zinc/61/05/28/650610528.db2.gz HTMMSQOXUZBCDI-LLVKDONJSA-N 1 0 309.410 2.279 20 10 DECDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841961185 650614199 /nfs/dbraw/zinc/61/41/99/650614199.db2.gz BARROVJNZDCVHQ-UHFFFAOYSA-N 1 0 306.454 2.041 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000841962509 650614179 /nfs/dbraw/zinc/61/41/79/650614179.db2.gz JSZZDAGNRXUESU-CQSZACIVSA-N 1 0 306.454 2.269 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978667 650617977 /nfs/dbraw/zinc/61/79/77/650617977.db2.gz NWDGEUOSYIYERY-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000841982110 650618884 /nfs/dbraw/zinc/61/88/84/650618884.db2.gz OTSPFASGJFDBSL-LSDHHAIUSA-N 1 0 304.438 2.164 20 10 DECDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(C)ccc1O)CCO2 ZINC000898002028 640990077 /nfs/dbraw/zinc/99/00/77/640990077.db2.gz XVPYTLIGMCLZMW-QZTJIDSGSA-N 1 0 321.417 2.493 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842004015 650625383 /nfs/dbraw/zinc/62/53/83/650625383.db2.gz DSXTUUMNIZOOTM-CQSZACIVSA-N 1 0 317.389 2.434 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000842003700 650625393 /nfs/dbraw/zinc/62/53/93/650625393.db2.gz JLKMNMGFERDDPZ-CHWSQXEVSA-N 1 0 321.421 2.293 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000768138261 641054222 /nfs/dbraw/zinc/05/42/22/641054222.db2.gz SHZYIEWGGAIJHH-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO COc1cccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000768230453 641061310 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Cc1nocc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449677 641662066 /nfs/dbraw/zinc/66/20/66/641662066.db2.gz IVRDCQLRXKIQFM-KRWDZBQOSA-N 1 0 302.422 2.442 20 10 DECDRO CC[C@@H]1C(=O)NCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000898547615 641700652 /nfs/dbraw/zinc/70/06/52/641700652.db2.gz ILJNWXBEQDYVLW-QQOXCAACSA-N 1 0 301.434 2.366 20 10 DECDRO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000898550003 641701713 /nfs/dbraw/zinc/70/17/13/641701713.db2.gz BVTKGSGWXHOULB-OWCLPIDISA-N 1 0 320.408 2.008 20 10 DECDRO Cc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000898613893 641727829 /nfs/dbraw/zinc/72/78/29/641727829.db2.gz YDVKUQPDUBJRTJ-UHFFFAOYSA-N 1 0 324.428 2.409 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000773757569 641821446 /nfs/dbraw/zinc/82/14/46/641821446.db2.gz ZXOWMYIODHPMDH-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO C[C@H]1CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098199 641940483 /nfs/dbraw/zinc/94/04/83/641940483.db2.gz 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DECDRO CC(C)CN(C(=O)Cc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000843486318 650982717 /nfs/dbraw/zinc/98/27/17/650982717.db2.gz GIFHFCCRFLWGPJ-UHFFFAOYSA-N 1 0 303.450 2.390 20 10 DECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NCC ZINC000801595336 645421215 /nfs/dbraw/zinc/42/12/15/645421215.db2.gz LTUGTOONEQILGZ-ZDUSSCGKSA-N 1 0 321.421 2.229 20 10 DECDRO O=C(NCc1ccc2cccnc2c1O)[C@@]12CC[N@H+](C1)CCC2 ZINC000911263309 645668879 /nfs/dbraw/zinc/66/88/79/645668879.db2.gz XZMZBZWHCAVTSG-SFHVURJKSA-N 1 0 311.385 2.043 20 10 DECDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000840098926 645960727 /nfs/dbraw/zinc/96/07/27/645960727.db2.gz XSRRIZRIYSCXRY-WBVHZDCISA-N 1 0 307.390 2.065 20 10 DECDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000807564637 645963526 /nfs/dbraw/zinc/96/35/26/645963526.db2.gz WATFVYHOFXYNAA-AWEZNQCLSA-N 1 0 320.414 2.495 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000808206740 646056691 /nfs/dbraw/zinc/05/66/91/646056691.db2.gz 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BNZIMOXHVIURJA-RDJZCZTQSA-N 1 0 314.433 2.496 20 10 DECDRO Cc1cc(O)c(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1Cl ZINC000825520295 648775018 /nfs/dbraw/zinc/77/50/18/648775018.db2.gz ZOWHROQVIGTHKS-UHFFFAOYSA-N 1 0 305.827 2.267 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826511518 648870428 /nfs/dbraw/zinc/87/04/28/648870428.db2.gz SSQSRBJJJBVYIT-UHFFFAOYSA-N 1 0 317.299 2.140 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1 ZINC000182318857 648873749 /nfs/dbraw/zinc/87/37/49/648873749.db2.gz UCIMRECJYJMZMT-LLVKDONJSA-N 1 0 300.358 2.351 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC(C)CC2)c1 ZINC000182342585 648879432 /nfs/dbraw/zinc/87/94/32/648879432.db2.gz LRLRBTCBWZGTRB-CYBMUJFWSA-N 1 0 306.406 2.310 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1OC ZINC000826790485 648927930 /nfs/dbraw/zinc/92/79/30/648927930.db2.gz JDCUVFITXSZVEZ-ZDUSSCGKSA-N 1 0 308.422 2.372 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(Cl)c1 ZINC000827001405 648959342 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COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000831753635 649638612 /nfs/dbraw/zinc/63/86/12/649638612.db2.gz ONOSIBWQOQXRAB-YOEHRIQHSA-N 1 0 319.449 2.011 20 10 DECDRO COc1ccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000832178086 649682206 /nfs/dbraw/zinc/68/22/06/649682206.db2.gz NCYZYKJCTFSOTJ-STQMWFEESA-N 1 0 306.406 2.043 20 10 DECDRO Cc1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000832267579 649690547 /nfs/dbraw/zinc/69/05/47/649690547.db2.gz WMBSLGLFUANZLP-HNNXBMFYSA-N 1 0 301.390 2.392 20 10 DECDRO O=S1(=O)CCC(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834696871 649832602 /nfs/dbraw/zinc/83/26/02/649832602.db2.gz AGCKNBKMRNULOQ-AWEZNQCLSA-N 1 0 309.431 2.184 20 10 DECDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000844200987 651090936 /nfs/dbraw/zinc/09/09/36/651090936.db2.gz JOKDKNRGAKFIIW-NEPJUHHUSA-N 1 0 300.406 2.345 20 10 DECDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000844200990 651090946 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CN(C)c1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)cc1F ZINC000846057123 651304979 /nfs/dbraw/zinc/30/49/79/651304979.db2.gz SDVKFKCDHJNEEO-UHFFFAOYSA-N 1 0 317.412 2.395 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1O ZINC000846145326 651310694 /nfs/dbraw/zinc/31/06/94/651310694.db2.gz NYXYQWTYSZCECQ-UONOGXRCSA-N 1 0 309.406 2.495 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1O ZINC000846146057 651310777 /nfs/dbraw/zinc/31/07/77/651310777.db2.gz PQEGWBJRXKTXHC-LBPRGKRZSA-N 1 0 306.406 2.310 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000846189419 651314330 /nfs/dbraw/zinc/31/43/30/651314330.db2.gz LCFJWEGGHIFGTI-OYNCUSHFSA-N 1 0 313.195 2.069 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000846664183 651343921 /nfs/dbraw/zinc/34/39/21/651343921.db2.gz WKGLYIBNGVHVCR-INIZCTEOSA-N 1 0 313.401 2.196 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000846673974 651345008 /nfs/dbraw/zinc/34/50/08/651345008.db2.gz YURYCWHPMLYZSO-INIZCTEOSA-N 1 0 301.434 2.293 20 10 DECDRO C/C(=C/c1cccnc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394090 651455678 /nfs/dbraw/zinc/45/56/78/651455678.db2.gz MVXXFHNPHWXKNU-RMHQSFGDSA-N 1 0 324.428 2.367 20 10 DECDRO CCC(C)(C)[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000848495991 651463597 /nfs/dbraw/zinc/46/35/97/651463597.db2.gz STOFPZYWBQBLPI-UHFFFAOYSA-N 1 0 306.406 2.427 20 10 DECDRO COc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000848526374 651467022 /nfs/dbraw/zinc/46/70/22/651467022.db2.gz YCEIDTLLJPBYCZ-QGZVFWFLSA-N 1 0 304.434 2.347 20 10 DECDRO CCC[N@H+](Cc1cccc(CC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000848880190 651542510 /nfs/dbraw/zinc/54/25/10/651542510.db2.gz LHMVWQQUWNCNQT-OAHLLOKOSA-N 1 0 311.447 2.354 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)c1O ZINC000848892972 651548889 /nfs/dbraw/zinc/54/88/89/651548889.db2.gz LQJIDZLLNJDHDH-QGZVFWFLSA-N 1 0 306.450 2.401 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])NC3CCC3)C2)cc1 ZINC000849044188 651593455 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O=[S@](CC[NH2+]Cc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000850348270 651905523 /nfs/dbraw/zinc/90/55/23/651905523.db2.gz IMGADHFUGKGFHG-HXUWFJFHSA-N 1 0 307.337 2.022 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)C2CCOCC2)c1 ZINC000850350457 651907100 /nfs/dbraw/zinc/90/71/00/651907100.db2.gz CBASUKVNNMBRHO-INIZCTEOSA-N 1 0 309.406 2.322 20 10 DECDRO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC000850397428 651920427 /nfs/dbraw/zinc/92/04/27/651920427.db2.gz XNZBPCUMFDYBAL-MRXNPFEDSA-N 1 0 320.433 2.134 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1 ZINC000850400786 651921466 /nfs/dbraw/zinc/92/14/66/651921466.db2.gz NYIHWEQLYUCENI-SFHVURJKSA-N 1 0 306.450 2.410 20 10 DECDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850424407 651925599 /nfs/dbraw/zinc/92/55/99/651925599.db2.gz JURRGFUSHJERBI-CQSZACIVSA-N 1 0 317.462 2.010 20 10 DECDRO COC(=O)CC1CC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000850487439 651937830 /nfs/dbraw/zinc/93/78/30/651937830.db2.gz NBPLOGSFCOFKCC-SHARSMKWSA-N 1 0 318.417 2.205 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(O)c1O ZINC000856480093 651938908 /nfs/dbraw/zinc/93/89/08/651938908.db2.gz QLWUBGPTBOYSKB-AWEZNQCLSA-N 1 0 318.417 2.258 20 10 DECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567865 651953919 /nfs/dbraw/zinc/95/39/19/651953919.db2.gz LBCWWBYLWDKUBF-RDTXWAMCSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000857061272 652043674 /nfs/dbraw/zinc/04/36/74/652043674.db2.gz NKBIFRMFZOJOMA-INIZCTEOSA-N 1 0 317.410 2.460 20 10 DECDRO Cc1ccccc1CCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772414 652072367 /nfs/dbraw/zinc/07/23/67/652072367.db2.gz PLEFQOAGDKOJFP-UHFFFAOYSA-N 1 0 312.413 2.491 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000851657297 652200076 /nfs/dbraw/zinc/20/00/76/652200076.db2.gz WRVHGXGZXNPFOV-MRXNPFEDSA-N 1 0 318.465 2.242 20 10 DECDRO C[NH2+]C[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000851679543 652205366 /nfs/dbraw/zinc/20/53/66/652205366.db2.gz BQCLHUJRIXZEJZ-ZDUSSCGKSA-N 1 0 317.389 2.305 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000115822412 652245367 /nfs/dbraw/zinc/24/53/67/652245367.db2.gz KOJANTLPGBXTCS-UHFFFAOYSA-N 1 0 318.465 2.202 20 10 DECDRO COC(CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000851899196 652273953 /nfs/dbraw/zinc/27/39/53/652273953.db2.gz ZCZCGMHYYLIHSY-AWEZNQCLSA-N 1 0 308.422 2.183 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cc(Br)nn2C)c1 ZINC000858238864 652286673 /nfs/dbraw/zinc/28/66/73/652286673.db2.gz DPTPUJNYDYXXRF-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cnn(CCF)c3)cc2)CC1 ZINC000858246615 652288311 /nfs/dbraw/zinc/28/83/11/652288311.db2.gz YWRNADMMGPDDRU-UHFFFAOYSA-N 1 0 317.412 2.217 20 10 DECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccccc1O ZINC000852603012 652427129 /nfs/dbraw/zinc/42/71/29/652427129.db2.gz QFWMFWYIJMVQPD-AWEZNQCLSA-N 1 0 305.422 2.312 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000852631039 652429768 /nfs/dbraw/zinc/42/97/68/652429768.db2.gz GBFKWAHHPFOGQN-QWHCGFSZSA-N 1 0 321.421 2.245 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000852632428 652430737 /nfs/dbraw/zinc/43/07/37/652430737.db2.gz XCWULOOVDGPVRA-INIZCTEOSA-N 1 0 318.465 2.345 20 10 DECDRO O=C(NCc1ccccc1O)NCC1CC[NH+](CC2CC2)CC1 ZINC000852704723 652442635 /nfs/dbraw/zinc/44/26/35/652442635.db2.gz HFXXLWJOVWBPDZ-UHFFFAOYSA-N 1 0 317.433 2.313 20 10 DECDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000852790764 652457476 /nfs/dbraw/zinc/45/74/76/652457476.db2.gz BDRNZDLAJGDFFF-XOKHGSTOSA-N 1 0 319.449 2.074 20 10 DECDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1COCCO1 ZINC000853558875 652568331 /nfs/dbraw/zinc/56/83/31/652568331.db2.gz KVECFKOBXMUEJP-CQSZACIVSA-N 1 0 309.406 2.243 20 10 DECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853583887 652572787 /nfs/dbraw/zinc/57/27/87/652572787.db2.gz YEMLYLBUDJKWDI-MRXNPFEDSA-N 1 0 317.433 2.069 20 10 DECDRO COc1cc(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)cc1C ZINC000853611261 652578520 /nfs/dbraw/zinc/57/85/20/652578520.db2.gz WXWAMEKFRUNPOW-UHFFFAOYSA-N 1 0 320.389 2.126 20 10 DECDRO CCn1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000112096911 652671476 /nfs/dbraw/zinc/67/14/76/652671476.db2.gz QTAPBYHLZPUHCU-UHFFFAOYSA-N 1 0 318.396 2.169 20 10 DECDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000305125462 685276368 /nfs/dbraw/zinc/27/63/68/685276368.db2.gz LADLHALRTFEQLO-CYBMUJFWSA-N 1 0 308.397 2.228 20 10 DECDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000858601328 685566088 /nfs/dbraw/zinc/56/60/88/685566088.db2.gz FEPCYZRLDRJLDS-HIFRSBDPSA-N 1 0 300.402 2.263 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000928457444 693785726 /nfs/dbraw/zinc/78/57/26/693785726.db2.gz XEXWXBXWFBACIS-HOCLYGCPSA-N 1 0 312.417 2.312 20 10 DECDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)c1 ZINC000093479224 684050338 /nfs/dbraw/zinc/05/03/38/684050338.db2.gz WDUFLSYPHJLLSC-GASCZTMLSA-N 1 0 322.449 2.332 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1c(F)cccc1F)OCO2 ZINC000123988074 684130073 /nfs/dbraw/zinc/13/00/73/684130073.db2.gz YMKJSDWVQSHTHB-CYBMUJFWSA-N 1 0 323.295 2.222 20 10 DECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159471962 684315362 /nfs/dbraw/zinc/31/53/62/684315362.db2.gz PFDBSMIYYNANSH-CYBMUJFWSA-N 1 0 307.390 2.484 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c(O)cc1C ZINC000159987463 684324025 /nfs/dbraw/zinc/32/40/25/684324025.db2.gz QDBUQKAZTZXVTN-AWEZNQCLSA-N 1 0 306.406 2.057 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C1(O)CCC1 ZINC000929185712 693912974 /nfs/dbraw/zinc/91/29/74/693912974.db2.gz SIWHTAOBIHSLEQ-SFHVURJKSA-N 1 0 318.461 2.385 20 10 DECDRO Cc1cc(C)c(O)c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249094149 685174788 /nfs/dbraw/zinc/17/47/88/685174788.db2.gz HWECGWLHAZBZDL-HNNXBMFYSA-N 1 0 306.450 2.286 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000861674042 686167830 /nfs/dbraw/zinc/16/78/30/686167830.db2.gz JWFQOBKXDGHILT-JKSUJKDBSA-N 1 0 317.433 2.211 20 10 DECDRO CC(C)[C@H](C(=O)NCc1ccc2cccnc2c1O)[NH+](C)C ZINC000862027063 686225720 /nfs/dbraw/zinc/22/57/20/686225720.db2.gz IHWSESNDWBXGBU-OAHLLOKOSA-N 1 0 301.390 2.143 20 10 DECDRO CN(C)c1cc(F)c(C[N@H+](CCO)C2CCOCC2)cc1F ZINC000862335351 686277680 /nfs/dbraw/zinc/27/76/80/686277680.db2.gz FEYWLAGCHWDTSI-UHFFFAOYSA-N 1 0 314.376 2.004 20 10 DECDRO C[N@@H+]1C[C@H]2CCN(Cc3c(O)cccc3Br)[C@H]2C1 ZINC000862372764 686285002 /nfs/dbraw/zinc/28/50/02/686285002.db2.gz AFEJPMYHKNKNGR-MFKMUULPSA-N 1 0 311.223 2.291 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862475812 686308026 /nfs/dbraw/zinc/30/80/26/686308026.db2.gz YCAZKSIKERRUFB-DUMMIQTOSA-N 1 0 318.417 2.030 20 10 DECDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000929917983 694054431 /nfs/dbraw/zinc/05/44/31/694054431.db2.gz RDISQGAMXJTZQY-SUMWQHHRSA-N 1 0 318.465 2.453 20 10 DECDRO Cc1cn(C)nc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210467 694113480 /nfs/dbraw/zinc/11/34/80/694113480.db2.gz MTMGRNUTXRHWEA-OAHLLOKOSA-N 1 0 314.433 2.416 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000866420018 687568193 /nfs/dbraw/zinc/56/81/93/687568193.db2.gz LXMCZFJOPJQHRA-WZRBSPASSA-N 1 0 305.296 2.211 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccccc1O ZINC000866434974 687571730 /nfs/dbraw/zinc/57/17/30/687571730.db2.gz TUZYFKMCNWPZAJ-BXKDBHETSA-N 1 0 300.284 2.438 20 10 DECDRO C[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccccc1O ZINC000866439966 687574029 /nfs/dbraw/zinc/57/40/29/687574029.db2.gz BXRGNJFCMPMWQP-LLVKDONJSA-N 1 0 302.378 2.255 20 10 DECDRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1O ZINC000868356041 687988588 /nfs/dbraw/zinc/98/85/88/687988588.db2.gz RNKFMHGPFDIIRK-MLGOLLRUSA-N 1 0 323.462 2.190 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868363171 687990854 /nfs/dbraw/zinc/99/08/54/687990854.db2.gz KCICWJUCIUBDQQ-KBPBESRZSA-N 1 0 305.422 2.483 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205748 688749256 /nfs/dbraw/zinc/74/92/56/688749256.db2.gz XQOCTJDQMUSEAG-KRWDZBQOSA-N 1 0 306.381 2.447 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1Cn1cccn1 ZINC000873059158 689150330 /nfs/dbraw/zinc/15/03/30/689150330.db2.gz XPKWWBIRXGZWAA-KGLIPLIRSA-N 1 0 303.406 2.047 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000874097328 689356959 /nfs/dbraw/zinc/35/69/59/689356959.db2.gz HZZCBKMERFIASS-UHFFFAOYSA-N 1 0 315.377 2.017 20 10 DECDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874379613 689396100 /nfs/dbraw/zinc/39/61/00/689396100.db2.gz QIHPSUILMNVPGN-UHFFFAOYSA-N 1 0 305.382 2.263 20 10 DECDRO O=C(NC1CC[NH+](C2CCC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875649139 689666832 /nfs/dbraw/zinc/66/68/32/689666832.db2.gz CFBNVZSOWCRSDU-UHFFFAOYSA-N 1 0 315.417 2.434 20 10 DECDRO CNc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876506989 689841937 /nfs/dbraw/zinc/84/19/37/689841937.db2.gz SKFNBYCBMRPURV-KRWDZBQOSA-N 1 0 312.417 2.224 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1OC ZINC000876623823 689879799 /nfs/dbraw/zinc/87/97/99/689879799.db2.gz VZEURIBOXRIKEB-YSKGHYERSA-N 1 0 304.390 2.222 20 10 DECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876632136 689882966 /nfs/dbraw/zinc/88/29/66/689882966.db2.gz HOEHKWYUXSETPH-GDBMZVCRSA-N 1 0 320.433 2.064 20 10 DECDRO OCC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876694134 689905279 /nfs/dbraw/zinc/90/52/79/689905279.db2.gz MZGCYJUHWUEKLU-MRXNPFEDSA-N 1 0 318.461 2.242 20 10 DECDRO CC1(C)[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000876728502 689918649 /nfs/dbraw/zinc/91/86/49/689918649.db2.gz OHHWIRFPJJSIBV-HOTGVXAUSA-N 1 0 301.434 2.276 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1C[NH2+]C1 ZINC000876875739 689960967 /nfs/dbraw/zinc/96/09/67/689960967.db2.gz YQVVIJKSFSXXLF-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876873691 689961029 /nfs/dbraw/zinc/96/10/29/689961029.db2.gz OCIKTGYFDODXMG-HZPDHXFCSA-N 1 0 303.450 2.475 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc(F)c2)c(O)c1 ZINC000876966134 689984787 /nfs/dbraw/zinc/98/47/87/689984787.db2.gz NTTNNQMCWIPZKV-HNNXBMFYSA-N 1 0 305.349 2.369 20 10 DECDRO CCCN(CC1CCS(=O)(=O)CC1)c1ccc(C[NH3+])cc1 ZINC000877477542 690125642 /nfs/dbraw/zinc/12/56/42/690125642.db2.gz DLTXPNANJZEERG-UHFFFAOYSA-N 1 0 310.463 2.187 20 10 DECDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877530968 690143552 /nfs/dbraw/zinc/14/35/52/690143552.db2.gz GZPQUHPIPGQKIL-SFHVURJKSA-N 1 0 320.477 2.487 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(=O)[nH]c2)cc1 ZINC000877610977 690166414 /nfs/dbraw/zinc/16/64/14/690166414.db2.gz UOCXZWCBZPUDRZ-UHFFFAOYSA-N 1 0 301.390 2.364 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1CO ZINC000877646628 690178925 /nfs/dbraw/zinc/17/89/25/690178925.db2.gz JZTGHUDBSKHFKI-NVXWUHKLSA-N 1 0 318.461 2.098 20 10 DECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877691519 690193396 /nfs/dbraw/zinc/19/33/96/690193396.db2.gz PKEISWVSCIBENO-GOSISDBHSA-N 1 0 322.424 2.399 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2cccc(CC)c2O)CCCOC1 ZINC000877698982 690195555 /nfs/dbraw/zinc/19/55/55/690195555.db2.gz TZHCSMTYRJJOGJ-GOSISDBHSA-N 1 0 321.417 2.404 20 10 DECDRO COC(=O)C[C@](C)([NH2+]Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000877707275 690198908 /nfs/dbraw/zinc/19/89/08/690198908.db2.gz OXSIYZCLQLDSPG-KRWDZBQOSA-N 1 0 323.389 2.231 20 10 DECDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877752696 690216034 /nfs/dbraw/zinc/21/60/34/690216034.db2.gz ICGHVMIKECNIMG-OAHLLOKOSA-N 1 0 322.424 2.255 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCCC2)c1 ZINC000878360319 690388074 /nfs/dbraw/zinc/38/80/74/690388074.db2.gz KOABAWWQCBCONU-OLZOCXBDSA-N 1 0 309.406 2.108 20 10 DECDRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1O ZINC000878848023 690512948 /nfs/dbraw/zinc/51/29/48/690512948.db2.gz DWYMRHBNFCIIEA-GFCCVEGCSA-N 1 0 317.393 2.033 20 10 DECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1C ZINC000879132645 690574846 /nfs/dbraw/zinc/57/48/46/690574846.db2.gz DPNHOUMVLIMGKZ-BTDLBPIBSA-N 1 0 323.364 2.365 20 10 DECDRO CC(=O)c1cc(F)cc(Cn2cc([C@@H]([NH3+])C(C)C)nn2)c1O ZINC000880995924 691010712 /nfs/dbraw/zinc/01/07/12/691010712.db2.gz IPBZQKYKZJYBBZ-AWEZNQCLSA-N 1 0 306.341 2.030 20 10 DECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000881440613 691098322 /nfs/dbraw/zinc/09/83/22/691098322.db2.gz IEDQPUBUIXFGDI-SUMWQHHRSA-N 1 0 320.433 2.363 20 10 DECDRO Cc1ccncc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851468 691173882 /nfs/dbraw/zinc/17/38/82/691173882.db2.gz VJAINSDQICDKQW-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO Cc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881850589 691173928 /nfs/dbraw/zinc/17/39/28/691173928.db2.gz ZCNGIXMHJBFBIF-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C)(F)F)cc2)CC1 ZINC000881853847 691174465 /nfs/dbraw/zinc/17/44/65/691174465.db2.gz LYKRBKSURXHLRA-UHFFFAOYSA-N 1 0 311.376 2.100 20 10 DECDRO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883033820 691416317 /nfs/dbraw/zinc/41/63/17/691416317.db2.gz DXXABDODJDXRFO-ZDUSSCGKSA-N 1 0 302.365 2.117 20 10 DECDRO CCC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883045370 691419072 /nfs/dbraw/zinc/41/90/72/691419072.db2.gz VTZLCTDBSPEFFH-HNNXBMFYSA-N 1 0 318.465 2.426 20 10 DECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC000883283947 691471773 /nfs/dbraw/zinc/47/17/73/691471773.db2.gz ZQJIQTLECBRSMJ-SJLPKXTDSA-N 1 0 303.450 2.096 20 10 DECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883353677 691486763 /nfs/dbraw/zinc/48/67/63/691486763.db2.gz AGDISCVECQDHET-ZBFHGGJFSA-N 1 0 321.440 2.407 20 10 DECDRO C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1c1cc[nH+]cc1 ZINC000883570271 691541691 /nfs/dbraw/zinc/54/16/91/691541691.db2.gz YRJLNNBWMIRCGZ-ZDUSSCGKSA-N 1 0 311.389 2.406 20 10 DECDRO C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1c1cc[nH+]cc1 ZINC000883570270 691541772 /nfs/dbraw/zinc/54/17/72/691541772.db2.gz YRJLNNBWMIRCGZ-CYBMUJFWSA-N 1 0 311.389 2.406 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH]cc2C2CC2)cc1 ZINC000884010886 691632750 /nfs/dbraw/zinc/63/27/50/691632750.db2.gz NWNRUBSGJXWFHB-KRWDZBQOSA-N 1 0 312.417 2.388 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000885935619 691966178 /nfs/dbraw/zinc/96/61/78/691966178.db2.gz ONUDNWAPQQSUMJ-CRAIPNDOSA-N 1 0 302.418 2.244 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)cc1F ZINC000886037547 691989503 /nfs/dbraw/zinc/98/95/03/691989503.db2.gz MEVWZZBBBVGBAW-KBXCAEBGSA-N 1 0 320.408 2.383 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1c([O-])cccc1F ZINC000886636299 692143101 /nfs/dbraw/zinc/14/31/01/692143101.db2.gz KNBZWGCBPXJHIE-UONOGXRCSA-N 1 0 311.445 2.454 20 10 DECDRO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)NCC1CC1 ZINC000887350060 692341239 /nfs/dbraw/zinc/34/12/39/692341239.db2.gz SIQHIPYYKYYVRW-UHFFFAOYSA-N 1 0 304.463 2.264 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cnnn3C)CC2)cc1 ZINC000924908837 693200487 /nfs/dbraw/zinc/20/04/87/693200487.db2.gz ZDUAVHOZCAGUHE-ZDUSSCGKSA-N 1 0 315.421 2.143 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC000926597517 693476889 /nfs/dbraw/zinc/47/68/89/693476889.db2.gz YMTBNCGBYZPSAZ-KGLIPLIRSA-N 1 0 301.438 2.471 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccnnc1 ZINC000926726289 693500734 /nfs/dbraw/zinc/50/07/34/693500734.db2.gz ZSSCXLZRGZVDFS-CQSZACIVSA-N 1 0 312.417 2.289 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000927042383 693545310 /nfs/dbraw/zinc/54/53/10/693545310.db2.gz YILLTGCUFFSBMA-RLAWYHOSSA-N 1 0 309.431 2.459 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCO[C@H]3CCOC3)CC2)cc1 ZINC001332684135 1149880241 /nfs/dbraw/zinc/88/02/41/1149880241.db2.gz KFHVAVAVUDKOQY-SFHVURJKSA-N 1 0 320.433 2.013 20 10 DECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001348329715 1151145414 /nfs/dbraw/zinc/14/54/14/1151145414.db2.gz RLRHCJFLKNMKRG-FNOHHLHBSA-N 1 0 306.406 2.348 20 10 DECDRO COC(=O)c1ccc2c(c1)OCCN(Cc1ccc(N)cc1)C2 ZINC001352790044 1151779679 /nfs/dbraw/zinc/77/96/79/1151779679.db2.gz NTNBADOZJXJEIU-UHFFFAOYSA-N 1 0 312.369 2.450 20 10 DECDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001356596413 1152093824 /nfs/dbraw/zinc/09/38/24/1152093824.db2.gz NAOHILTWLIEDTN-ZNMIVQPWSA-N 1 0 318.465 2.434 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001233106630 782215093 /nfs/dbraw/zinc/21/50/93/782215093.db2.gz KAOBMZHTVFGZOT-NWDGAFQWSA-N 1 0 318.186 2.368 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCC(F)(F)F ZINC001332780903 1149891315 /nfs/dbraw/zinc/89/13/15/1149891315.db2.gz JJPNVSBPWBMPGU-JTQLQIEISA-N 1 0 316.323 2.168 20 10 DECDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)CCC(C)(C)O2 ZINC001170996460 790405934 /nfs/dbraw/zinc/40/59/34/790405934.db2.gz SZUNSTKJOGJCHI-UHFFFAOYSA-N 1 0 306.406 2.118 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001217964984 777752942 /nfs/dbraw/zinc/75/29/42/777752942.db2.gz KKLHZRRHUYFOBS-BMIGLBTASA-N 1 0 323.348 2.154 20 10 DECDRO CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001071646436 789838852 /nfs/dbraw/zinc/83/88/52/789838852.db2.gz YKSUCUUTFFIRFG-JSGCOSHPSA-N 1 0 321.421 2.092 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)OC)[C@H]2C)cc1C ZINC001074553126 791229889 /nfs/dbraw/zinc/22/98/89/791229889.db2.gz STNUKWQTWJJFAL-LZWOXQAQSA-N 1 0 320.433 2.118 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC001172181955 793364271 /nfs/dbraw/zinc/36/42/71/793364271.db2.gz JALYNYUZWGXBGE-IAGOWNOFSA-N 1 0 301.434 2.338 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173471 793477675 /nfs/dbraw/zinc/47/76/75/793477675.db2.gz HMIVRQOYTCOZQI-KBPBESRZSA-N 1 0 320.364 2.068 20 10 DECDRO C[NH+](C)Cc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001176293727 794392886 /nfs/dbraw/zinc/39/28/86/794392886.db2.gz RMDBGZMAYMXOBN-UHFFFAOYSA-N 1 0 319.430 2.428 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)CN2CCCC2=O)ccc1OC ZINC001177437258 794677981 /nfs/dbraw/zinc/67/79/81/794677981.db2.gz NLXOGGFCGYHOIB-AWEZNQCLSA-N 1 0 320.433 2.332 20 10 DECDRO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(O)c1O ZINC001116512140 794962174 /nfs/dbraw/zinc/96/21/74/794962174.db2.gz IHWGCJUAZMTSOJ-ZDUSSCGKSA-N 1 0 306.406 2.401 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCCOC1 ZINC001117948178 795129884 /nfs/dbraw/zinc/12/98/84/795129884.db2.gz NYYITIMNZGMUBJ-SJLPKXTDSA-N 1 0 304.434 2.164 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C[NH2+]C ZINC001118032435 795143739 /nfs/dbraw/zinc/14/37/39/795143739.db2.gz OVLKQINAFYYLGU-CQSZACIVSA-N 1 0 306.454 2.140 20 10 DECDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001118286489 795173178 /nfs/dbraw/zinc/17/31/78/795173178.db2.gz GCJSXPRSKHNUKM-IAGOWNOFSA-N 1 0 301.434 2.421 20 10 DECDRO C[NH+]1CCC(C)(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001181984595 795574315 /nfs/dbraw/zinc/57/43/15/795574315.db2.gz KIMZQYUPFGSGQO-UHFFFAOYSA-N 1 0 318.417 2.105 20 10 DECDRO NC(=[NH2+])N(C(=O)CCc1ccc(O)c(O)c1)c1ccccc1F ZINC001182155673 795615155 /nfs/dbraw/zinc/61/51/55/795615155.db2.gz MCGWRVCHDWWWMQ-UHFFFAOYSA-N 1 0 317.320 2.096 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\c2nccs2)cc1 ZINC001121712301 795678401 /nfs/dbraw/zinc/67/84/01/795678401.db2.gz IIJZCQOZGPAJKD-WBTMPAOCSA-N 1 0 316.430 2.039 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2coc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC001121900746 795701569 /nfs/dbraw/zinc/70/15/69/795701569.db2.gz IPSHZXVMWXLVEU-AWEZNQCLSA-N 1 0 314.389 2.095 20 10 DECDRO O=C1NC[C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138220854 796184804 /nfs/dbraw/zinc/18/48/04/796184804.db2.gz QDPDFDLOJSZJMI-WMZOPIPTSA-N 1 0 313.445 2.245 20 10 DECDRO CN1C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1=O ZINC001138218749 796184882 /nfs/dbraw/zinc/18/48/82/796184882.db2.gz SHGYJDQFQNNYIC-AEFFLSMTSA-N 1 0 313.445 2.197 20 10 DECDRO O=C1NCC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]12 ZINC001138220860 796184986 /nfs/dbraw/zinc/18/49/86/796184986.db2.gz QNFGUUZXGVFLSF-FUHWJXTLSA-N 1 0 313.445 2.245 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259594 796189120 /nfs/dbraw/zinc/18/91/20/796189120.db2.gz KIKSQDUYUNCNGZ-AWEZNQCLSA-N 1 0 316.401 2.251 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001138499592 796227356 /nfs/dbraw/zinc/22/73/56/796227356.db2.gz UHCNTOJDJHFTJY-WMZOPIPTSA-N 1 0 302.418 2.134 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001138498835 796227463 /nfs/dbraw/zinc/22/74/63/796227463.db2.gz HMBLGZNDVZWQPO-GOSISDBHSA-N 1 0 302.418 2.278 20 10 DECDRO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 ZINC001138501373 796228043 /nfs/dbraw/zinc/22/80/43/796228043.db2.gz RQANNIGWJSWWQC-SJLPKXTDSA-N 1 0 314.429 2.324 20 10 DECDRO COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253471 796348663 /nfs/dbraw/zinc/34/86/63/796348663.db2.gz VNLWAVCTBQIGAK-BETUJISGSA-N 1 0 308.422 2.072 20 10 DECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCC1 ZINC001140060192 796471859 /nfs/dbraw/zinc/47/18/59/796471859.db2.gz OSKKCVNLXNSKNY-OAHLLOKOSA-N 1 0 321.396 2.301 20 10 DECDRO C[N@@H+]1CC[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]21 ZINC001140100981 796476659 /nfs/dbraw/zinc/47/66/59/796476659.db2.gz GONBXJUWDNOMQG-GXFFZTMASA-N 1 0 311.223 2.291 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2cn(C)nc21 ZINC001140179504 796486791 /nfs/dbraw/zinc/48/67/91/796486791.db2.gz FQLWVWRFYSFHBG-HNNXBMFYSA-N 1 0 315.417 2.488 20 10 DECDRO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140185471 796488753 /nfs/dbraw/zinc/48/87/53/796488753.db2.gz WLPUXNXOMSBTBI-AWEZNQCLSA-N 1 0 307.390 2.163 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1O ZINC001140283217 796501317 /nfs/dbraw/zinc/50/13/17/796501317.db2.gz PDCJMTMEXQRBBM-HNAYVOBHSA-N 1 0 318.461 2.241 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1O ZINC001140283213 796501518 /nfs/dbraw/zinc/50/15/18/796501518.db2.gz PDCJMTMEXQRBBM-BEFAXECRSA-N 1 0 318.461 2.241 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140288538 796502327 /nfs/dbraw/zinc/50/23/27/796502327.db2.gz VTTWOQVEWNHKNG-VQIMIIECSA-N 1 0 316.445 2.259 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CC(OC(C)C)C3)cc2)CC1 ZINC001140306066 796504613 /nfs/dbraw/zinc/50/46/13/796504613.db2.gz MYTVCKFBTNRYIW-UHFFFAOYSA-N 1 0 317.477 2.438 20 10 DECDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140620107 796546544 /nfs/dbraw/zinc/54/65/44/796546544.db2.gz CJVTZCACRNPWKR-AWEZNQCLSA-N 1 0 301.390 2.176 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)c1 ZINC001140620972 796547042 /nfs/dbraw/zinc/54/70/42/796547042.db2.gz FHRAPWFBTFJAAQ-UHFFFAOYSA-N 1 0 324.384 2.492 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661812 796552059 /nfs/dbraw/zinc/55/20/59/796552059.db2.gz TXBRUSCYIAZZOS-QGZVFWFLSA-N 1 0 321.440 2.188 20 10 DECDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660633 796552068 /nfs/dbraw/zinc/55/20/68/796552068.db2.gz YUJWLGXHGNIZQN-CQSZACIVSA-N 1 0 308.397 2.131 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661570 796552192 /nfs/dbraw/zinc/55/21/92/796552192.db2.gz JSHCEPQSDVBTFK-QGZVFWFLSA-N 1 0 308.397 2.009 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140660651 796552415 /nfs/dbraw/zinc/55/24/15/796552415.db2.gz ZDUVIZYFMPELSG-KDOFPFPSSA-N 1 0 320.408 2.273 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001140850417 796582778 /nfs/dbraw/zinc/58/27/78/796582778.db2.gz KTKWATIUJQKESL-UKRRQHHQSA-N 1 0 310.413 2.391 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)c(O)c1 ZINC001140850225 796583346 /nfs/dbraw/zinc/58/33/46/796583346.db2.gz HCEGQLKOTJPULF-HNNXBMFYSA-N 1 0 306.406 2.376 20 10 DECDRO CC[N@H+](Cc1c(O)cc(OC)cc1OC)C1CCN(C)CC1 ZINC001141028466 796620255 /nfs/dbraw/zinc/62/02/55/796620255.db2.gz PRJWNVOZHCEDQK-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@]1(C)O ZINC001141140115 796638146 /nfs/dbraw/zinc/63/81/46/796638146.db2.gz INPLREWRZSEFFH-RDTXWAMCSA-N 1 0 304.434 2.498 20 10 DECDRO CN1CCOc2cc(C[NH+]3CCC(N4CC(F)C4)CC3)ccc21 ZINC001141143765 796638990 /nfs/dbraw/zinc/63/89/90/796638990.db2.gz JLVFELONVQQKIY-UHFFFAOYSA-N 1 0 319.424 2.133 20 10 DECDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141161889 796642677 /nfs/dbraw/zinc/64/26/77/796642677.db2.gz HGIBUIRAARQVIZ-UHFFFAOYSA-N 1 0 313.353 2.484 20 10 DECDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162985 796643834 /nfs/dbraw/zinc/64/38/34/796643834.db2.gz NKWWZDCZQKUSDP-OAHLLOKOSA-N 1 0 316.357 2.155 20 10 DECDRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(F)c1 ZINC001142143523 796716770 /nfs/dbraw/zinc/71/67/70/796716770.db2.gz UXFWOZURJCCPBB-UHFFFAOYSA-N 1 0 318.348 2.480 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccccn2)cc1C ZINC001154136356 797470779 /nfs/dbraw/zinc/47/07/79/797470779.db2.gz FGOKOHHNNVJFAP-UHFFFAOYSA-N 1 0 313.401 2.308 20 10 DECDRO COc1cc2c(c(OC)c1)N(CCN1CCOC[C@H]1C)CCC2 ZINC001195181056 797844647 /nfs/dbraw/zinc/84/46/47/797844647.db2.gz VTZAPTVUHZUUMY-CQSZACIVSA-N 1 0 320.433 2.177 20 10 DECDRO Oc1ccc(CNc2cc(Cl)nc3c2CC[NH2+]C3)cc1O ZINC001158997815 798501804 /nfs/dbraw/zinc/50/18/04/798501804.db2.gz PHUDMJIIIKQBPY-UHFFFAOYSA-N 1 0 305.765 2.404 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1C ZINC001201676987 798781688 /nfs/dbraw/zinc/78/16/88/798781688.db2.gz WYAHGGFBCXTHCF-HNNXBMFYSA-N 1 0 307.390 2.015 20 10 DECDRO COC1CC[NH+](C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001203561667 800080985 /nfs/dbraw/zinc/08/09/85/800080985.db2.gz XRSXFEJVVDNOHE-UHFFFAOYSA-N 1 0 304.434 2.467 20 10 DECDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC001203616997 800091351 /nfs/dbraw/zinc/09/13/51/800091351.db2.gz FNTMUUNIBILPQB-OAHLLOKOSA-N 1 0 320.433 2.481 20 10 DECDRO CCOc1cccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1O ZINC001203617362 800091912 /nfs/dbraw/zinc/09/19/12/800091912.db2.gz OTLKGEFQCVEQFM-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO COc1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)c(O)c1 ZINC001203635428 800097499 /nfs/dbraw/zinc/09/74/99/800097499.db2.gz UHSNWXJUNHEQHA-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccc(O)c(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c1 ZINC001203670357 800103129 /nfs/dbraw/zinc/10/31/29/800103129.db2.gz OTABNSPODYIJTO-UHFFFAOYSA-N 1 0 322.405 2.357 20 10 DECDRO CC[C@@H]1[N@H+](Cc2cc(OC)ccc2O)CCC[C@]12CCC(=O)N2 ZINC001203672793 800103557 /nfs/dbraw/zinc/10/35/57/800103557.db2.gz DQMVKKUNFMNILM-WMZOPIPTSA-N 1 0 318.417 2.424 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC001203680117 800104967 /nfs/dbraw/zinc/10/49/67/800104967.db2.gz FNAJQHGAOYJYRA-INIZCTEOSA-N 1 0 300.358 2.449 20 10 DECDRO O=C(C1CC[NH+](Cc2ccc(O)c(O)c2)CC1)N1CCCCC1 ZINC001203882436 800139145 /nfs/dbraw/zinc/13/91/45/800139145.db2.gz JBRHNYCFZBTLCX-UHFFFAOYSA-N 1 0 318.417 2.322 20 10 DECDRO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883740 800139939 /nfs/dbraw/zinc/13/99/39/800139939.db2.gz NGCODHAAPZYNBX-CQSZACIVSA-N 1 0 300.358 2.455 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)cc1 ZINC001203945907 800149497 /nfs/dbraw/zinc/14/94/97/800149497.db2.gz PDSITXQEXHPMBP-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[NH2+]C(C)(C)C ZINC000933814088 800190121 /nfs/dbraw/zinc/19/01/21/800190121.db2.gz CJASUPHEXZTHQT-UHFFFAOYSA-N 1 0 305.422 2.256 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204277867 800199455 /nfs/dbraw/zinc/19/94/55/800199455.db2.gz MYTZZQXKADTXST-JSGCOSHPSA-N 1 0 320.389 2.149 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204277866 800199461 /nfs/dbraw/zinc/19/94/61/800199461.db2.gz MYTZZQXKADTXST-GXTWGEPZSA-N 1 0 320.389 2.149 20 10 DECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204322780 800204238 /nfs/dbraw/zinc/20/42/38/800204238.db2.gz MYXBBQHDUXEVDW-IEBWSBKVSA-N 1 0 316.445 2.382 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc(O)c1O ZINC001204342559 800206539 /nfs/dbraw/zinc/20/65/39/800206539.db2.gz NFNILKZYSXWFAS-CQSZACIVSA-N 1 0 300.358 2.491 20 10 DECDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204349711 800207419 /nfs/dbraw/zinc/20/74/19/800207419.db2.gz ACFVDPPXQUBPRL-CYBMUJFWSA-N 1 0 323.389 2.272 20 10 DECDRO COc1cc(O)c(CN2CC[C@@](C)([NH3+])C2)cc1Br ZINC001204791366 800257758 /nfs/dbraw/zinc/25/77/58/800257758.db2.gz PUMJYWLNGPDOHK-CYBMUJFWSA-N 1 0 315.211 2.086 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2C[C@H]([NH3+])C[C@H](O)C2)cc1Cl ZINC001204954919 800277713 /nfs/dbraw/zinc/27/77/13/800277713.db2.gz IKSLSUSSUDISPK-NEPJUHHUSA-N 1 0 312.841 2.237 20 10 DECDRO [NH3+]CC1CC[NH+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001205053092 800290239 /nfs/dbraw/zinc/29/02/39/800290239.db2.gz KOKVPXLSWBVZLG-UHFFFAOYSA-N 1 0 317.202 2.465 20 10 DECDRO CCOc1ccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205788977 800421022 /nfs/dbraw/zinc/42/10/22/800421022.db2.gz UPINZCSJCXSRIA-LBPRGKRZSA-N 1 0 300.349 2.207 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206222238 800492919 /nfs/dbraw/zinc/49/29/19/800492919.db2.gz NAJDDSFNOSXLIG-CYBMUJFWSA-N 1 0 304.312 2.256 20 10 DECDRO COc1ccc(N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001208617109 801035740 /nfs/dbraw/zinc/03/57/40/801035740.db2.gz MHKZOMGLKYBOJU-KRWDZBQOSA-N 1 0 317.477 2.467 20 10 DECDRO CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001208977409 801106480 /nfs/dbraw/zinc/10/64/80/801106480.db2.gz VVZTYXUHTIHRSD-QGZVFWFLSA-N 1 0 303.450 2.443 20 10 DECDRO Cc1cccc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)c1O ZINC001231593379 801692213 /nfs/dbraw/zinc/69/22/13/801692213.db2.gz VMLANZPHEDJCJI-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(C)c2O)C1 ZINC001231592271 801692249 /nfs/dbraw/zinc/69/22/49/801692249.db2.gz GHXFYAQHIHNYSD-AWEZNQCLSA-N 1 0 301.390 2.176 20 10 DECDRO COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c(C)cc(C)cc1O ZINC001231845493 801735519 /nfs/dbraw/zinc/73/55/19/801735519.db2.gz NFBQMCKTXNEXQP-UHFFFAOYSA-N 1 0 322.449 2.326 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1OC)C1CC1 ZINC001231854559 801739416 /nfs/dbraw/zinc/73/94/16/801739416.db2.gz FMEFZTXFTVDCSE-UHFFFAOYSA-N 1 0 306.406 2.289 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882965 801744003 /nfs/dbraw/zinc/74/40/03/801744003.db2.gz FBWKLAYKNRBMMS-HNNXBMFYSA-N 1 0 315.369 2.309 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269330 801836008 /nfs/dbraw/zinc/83/60/08/801836008.db2.gz ZQHFAIBCCRCFNK-SNVBAGLBSA-N 1 0 312.797 2.051 20 10 DECDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1C ZINC001233014951 802002957 /nfs/dbraw/zinc/00/29/57/802002957.db2.gz CCAHFWAUJCHARD-YPMHNXCESA-N 1 0 323.389 2.215 20 10 DECDRO COC(=O)[C@]1(F)CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416087 802111418 /nfs/dbraw/zinc/11/14/18/802111418.db2.gz WARVGLPFFGTSRC-ZDUSSCGKSA-N 1 0 321.270 2.498 20 10 DECDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416198 802112353 /nfs/dbraw/zinc/11/23/53/802112353.db2.gz ZIKBWSLWGINSOT-JTQLQIEISA-N 1 0 302.296 2.108 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1O ZINC001233482943 802127295 /nfs/dbraw/zinc/12/72/95/802127295.db2.gz IKNHLJMEVSPNMA-RKDXNWHRSA-N 1 0 309.259 2.383 20 10 DECDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948246 802249224 /nfs/dbraw/zinc/24/92/24/802249224.db2.gz DPJMYYBIAAUFTO-CDMJZVDBSA-N 1 0 315.373 2.150 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC001234519265 802401306 /nfs/dbraw/zinc/40/13/06/802401306.db2.gz VENWVQHFKAWDCY-HNNXBMFYSA-N 1 0 300.358 2.004 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(C)C(=O)C3)c2c1 ZINC001234552634 802413191 /nfs/dbraw/zinc/41/31/91/802413191.db2.gz CYMZCZLXZKXMCL-UHFFFAOYSA-N 1 0 314.385 2.218 20 10 DECDRO CCCC(C[NH3+])(CCC)NC(=O)CCc1ccc(O)c(O)c1 ZINC001221374036 802561663 /nfs/dbraw/zinc/56/16/63/802561663.db2.gz SZEFZXLWSLKNPP-UHFFFAOYSA-N 1 0 308.422 2.444 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222248289 802660682 /nfs/dbraw/zinc/66/06/82/802660682.db2.gz KKURILBDJJFVTG-SFHVURJKSA-N 1 0 303.450 2.479 20 10 DECDRO Cn1c(=O)cc(-c2cnn(CC[NH+]3CCCC3)c2)c2ccccc21 ZINC001222505681 802697466 /nfs/dbraw/zinc/69/74/66/802697466.db2.gz RCEQSNZKASSTBA-UHFFFAOYSA-N 1 0 322.412 2.498 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccs3)C1)[C@@H](O)CO2 ZINC001331047564 1149369177 /nfs/dbraw/zinc/36/91/77/1149369177.db2.gz YBIJTSRUTQIBEM-YGRLFVJLSA-N 1 0 318.398 2.264 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)O1 ZINC001335507285 1150438603 /nfs/dbraw/zinc/43/86/03/1150438603.db2.gz OTKCGBWHFAKKIB-JKIFEVAISA-N 1 0 321.440 2.233 20 10 DECDRO CCn1cccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001343019111 1150656530 /nfs/dbraw/zinc/65/65/30/1150656530.db2.gz CGEHDYQMENDTFO-OAHLLOKOSA-N 1 0 300.406 2.004 20 10 DECDRO C[C@H]([NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)c1ccccc1O ZINC001599902132 984856651 /nfs/dbraw/zinc/85/66/51/984856651.db2.gz LZJSWZZOSLJSJS-ZDUSSCGKSA-N 1 0 306.406 2.372 20 10 DECDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCC1 ZINC001457536768 1057996136 /nfs/dbraw/zinc/99/61/36/1057996136.db2.gz USMOIGDLFVDFBK-NSHDSACASA-N 1 0 303.366 2.063 20 10 DECDRO CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474197918 1060830182 /nfs/dbraw/zinc/83/01/82/1060830182.db2.gz QHSNJMMBNWWUNI-CYBMUJFWSA-N 1 0 318.820 2.367 20 10 DECDRO CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474197919 1060831397 /nfs/dbraw/zinc/83/13/97/1060831397.db2.gz QHSNJMMBNWWUNI-ZDUSSCGKSA-N 1 0 318.820 2.367 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H]4COC[C@@H]43)C2)cc1 ZINC001474592946 1060900795 /nfs/dbraw/zinc/90/07/95/1060900795.db2.gz YBNWLUWUGCCREY-KNCCTNLNSA-N 1 0 302.418 2.146 20 10 DECDRO COCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC(=O)OC ZINC001621182931 1078170811 /nfs/dbraw/zinc/17/08/11/1078170811.db2.gz PSTSRUZPYABNHU-AATRIKPKSA-N 1 0 320.433 2.277 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001628981513 1078307636 /nfs/dbraw/zinc/30/76/36/1078307636.db2.gz FEXPGKYZVIUOOZ-UONOGXRCSA-N 1 0 317.393 2.452 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001630286774 1078336469 /nfs/dbraw/zinc/33/64/69/1078336469.db2.gz YVWBEEYIYGVNCX-HNNXBMFYSA-N 1 0 318.417 2.021 20 10 DECDRO C[C@@H](NC(=O)N1CC2(C1)CCC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001576199152 1066518483 /nfs/dbraw/zinc/51/84/83/1066518483.db2.gz UXBGQGPIOLXPJM-CQSZACIVSA-N 1 0 316.449 2.209 20 10 DECDRO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2ccc(N)cc2)C1 ZINC001576553444 1066634521 /nfs/dbraw/zinc/63/45/21/1066634521.db2.gz MBRHKRRGHLTMJT-UHFFFAOYSA-N 1 0 321.384 2.487 20 10 DECDRO Cc1cc(CNC(=O)N(C)C2C[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579600818 1067381519 /nfs/dbraw/zinc/38/15/19/1067381519.db2.gz AEJFMIUQYRDPQD-UHFFFAOYSA-N 1 0 312.417 2.207 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC001579616624 1067386178 /nfs/dbraw/zinc/38/61/78/1067386178.db2.gz CHUQCYIKJPXWIB-RDTXWAMCSA-N 1 0 318.465 2.043 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001560274654 1075135382 /nfs/dbraw/zinc/13/53/82/1075135382.db2.gz MKNCQGLEXUXXHJ-ZFWWWQNUSA-N 1 0 308.397 2.319 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560936830 1075148346 /nfs/dbraw/zinc/14/83/46/1075148346.db2.gz KSKQURYDCZEBFT-KRWDZBQOSA-N 1 0 307.390 2.280 20 10 DECDRO c1cc(N2CC([NH2+]Cc3ccc(N4CCCC4)cc3)C2)ncn1 ZINC001651456148 1079812786 /nfs/dbraw/zinc/81/27/86/1079812786.db2.gz SHKZOIBIXRRHPO-UHFFFAOYSA-N 1 0 309.417 2.055 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2O)n1 ZINC001652918058 1079904364 /nfs/dbraw/zinc/90/43/64/1079904364.db2.gz UIEWPTUTZCLRAM-WCQYABFASA-N 1 0 309.753 2.357 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3COC(C)(C)O3)C2)cc1 ZINC001658537730 1080212105 /nfs/dbraw/zinc/21/21/05/1080212105.db2.gz KIAXUBGPWQBMDV-JJRVBVJISA-N 1 0 320.433 2.404 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1O)CS(C)(=O)=O ZINC001659988011 1080258709 /nfs/dbraw/zinc/25/87/09/1080258709.db2.gz NYURGLSJXSNCNS-UHFFFAOYSA-N 1 0 305.827 2.206 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)[C@H]1CN(C)CCN1C ZINC001660047336 1080260211 /nfs/dbraw/zinc/26/02/11/1080260211.db2.gz IVJOGPATGPGGIX-RDTXWAMCSA-N 1 0 313.445 2.269 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](OC)C2CC2)cc1C ZINC001662207994 1080584039 /nfs/dbraw/zinc/58/40/39/1080584039.db2.gz UEEMMKHOOFAHKS-DYVFJYSZSA-N 1 0 320.433 2.023 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](O)C(C)C)cc1C ZINC001662913669 1080675708 /nfs/dbraw/zinc/67/57/08/1080675708.db2.gz BGKZZJMJPOWFRW-RHSMWYFYSA-N 1 0 322.449 2.005 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c(O)c1 ZINC001664238227 1080881047 /nfs/dbraw/zinc/88/10/47/1080881047.db2.gz HOOHUCUTMMZEBD-UHFFFAOYSA-N 1 0 320.433 2.400 20 10 DECDRO CCC[NH2+]CCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482970425 1082586626 /nfs/dbraw/zinc/58/66/26/1082586626.db2.gz GLEIDGPFTGBENZ-UHFFFAOYSA-N 1 0 305.382 2.311 20 10 DECDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc4c(c3)CCCN4C)(C1)C2 ZINC001277256298 1083876425 /nfs/dbraw/zinc/87/64/25/1083876425.db2.gz IHOJUPYCFMHKSA-UHFFFAOYSA-N 1 0 313.445 2.170 20 10 DECDRO COc1cccc(C[NH+]2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)c1O ZINC001277452681 1083978607 /nfs/dbraw/zinc/97/86/07/1083978607.db2.gz YERCPSDPRNBVDG-ZDUSSCGKSA-N 1 0 318.417 2.137 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235120965 1084316899 /nfs/dbraw/zinc/31/68/99/1084316899.db2.gz XGHIPGDILYKJPM-GOSISDBHSA-N 1 0 303.450 2.479 20 10 DECDRO Cc1cc(Br)c(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235174474 1084336618 /nfs/dbraw/zinc/33/66/18/1084336618.db2.gz OGMVPOQLWCVARM-SMDDNHRTSA-N 1 0 311.223 2.386 20 10 DECDRO c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235194011 1084340380 /nfs/dbraw/zinc/34/03/80/1084340380.db2.gz UNARTFYCILRKDH-RTBURBONSA-N 1 0 311.473 2.427 20 10 DECDRO CCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078300954 1084634111 /nfs/dbraw/zinc/63/41/11/1084634111.db2.gz ISNKYQIUDSNEEO-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001143104348 1085696812 /nfs/dbraw/zinc/69/68/12/1085696812.db2.gz SBNDZLRHEMRYNH-YJBOKZPZSA-N 1 0 307.434 2.255 20 10 DECDRO COC(=O)C1(C)CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001168752314 1086304453 /nfs/dbraw/zinc/30/44/53/1086304453.db2.gz ILXKAMVOYZYFNQ-UHFFFAOYSA-N 1 0 307.390 2.352 20 10 DECDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137835938 1086586977 /nfs/dbraw/zinc/58/69/77/1086586977.db2.gz RGPXTTSQBYUSHA-ZDUSSCGKSA-N 1 0 306.381 2.222 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1CCOC[C@@H]1C ZINC001649126191 1086645557 /nfs/dbraw/zinc/64/55/57/1086645557.db2.gz HZPOWGQLHMZBAY-AWEZNQCLSA-N 1 0 301.434 2.297 20 10 DECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706834242 1086652564 /nfs/dbraw/zinc/65/25/64/1086652564.db2.gz PPMVQQLGXGCLGJ-UFBFGSQYSA-N 1 0 320.252 2.357 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c(Cl)c1 ZINC001274657524 1091355810 /nfs/dbraw/zinc/35/58/10/1091355810.db2.gz ZTIJARRMCTUALQ-MRXNPFEDSA-N 1 0 324.808 2.108 20 10 DECDRO CN1CCOc2cc(CN3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001275420606 1091734198 /nfs/dbraw/zinc/73/41/98/1091734198.db2.gz ZIJUNBDWSVFQTL-IBGZPJMESA-N 1 0 315.461 2.433 20 10 DECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CS1(=O)=O ZINC001308854831 1092035642 /nfs/dbraw/zinc/03/56/42/1092035642.db2.gz RDVGRVLBPRTMJP-JOYOIKCWSA-N 1 0 303.811 2.101 20 10 DECDRO CN1CCOc2cc(CN3CCC[C@H]([NH2+]C4CC4)C3)ccc21 ZINC001236217532 1138340762 /nfs/dbraw/zinc/34/07/62/1138340762.db2.gz BSVWVAFHKAVYHV-INIZCTEOSA-N 1 0 301.434 2.232 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc1OC ZINC001236749540 1138407247 /nfs/dbraw/zinc/40/72/47/1138407247.db2.gz GTVXJOMCECCEBB-PXAZEXFGSA-N 1 0 309.406 2.392 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCc2cccnc2)cc1OC ZINC001236752956 1138410327 /nfs/dbraw/zinc/41/03/27/1138410327.db2.gz YVPRUCIJCPFWME-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO C[N@H+](Cc1cc(O)c(Br)cc1O)C1CCOCC1 ZINC001236771494 1138421664 /nfs/dbraw/zinc/42/16/64/1138421664.db2.gz CELICUWGUPHLTC-UHFFFAOYSA-N 1 0 316.195 2.471 20 10 DECDRO CCc1ccc(C[N@H+]2Cc3cn(C)nc3[C@@H](COC)C2)c(O)c1 ZINC001236787976 1138428048 /nfs/dbraw/zinc/42/80/48/1138428048.db2.gz XLEAMRNBNKIYPP-MRXNPFEDSA-N 1 0 315.417 2.434 20 10 DECDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794324 1138430027 /nfs/dbraw/zinc/43/00/27/1138430027.db2.gz RLLILRZOQBJREE-MRVPVSSYSA-N 1 0 303.189 2.396 20 10 DECDRO COc1cc(C)c(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(O)c1 ZINC001236812565 1138437470 /nfs/dbraw/zinc/43/74/70/1138437470.db2.gz BHKCSJJPDJUISB-ZIAGYGMSSA-N 1 0 320.433 2.003 20 10 DECDRO COc1cc(C)c(C[NH+]2CCN(c3ccccn3)CC2)c(O)c1 ZINC001236818269 1138438247 /nfs/dbraw/zinc/43/82/47/1138438247.db2.gz KPJJZBADFPLWJA-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(N3CCCC3=O)CC2)c(O)c1 ZINC001236817711 1138438664 /nfs/dbraw/zinc/43/86/64/1138438664.db2.gz GELSYYGEMXOLGU-UHFFFAOYSA-N 1 0 318.417 2.296 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c(O)c1 ZINC001236821676 1138439727 /nfs/dbraw/zinc/43/97/27/1138439727.db2.gz SJIYWQHYMMLGMS-TXEJJXNPSA-N 1 0 313.344 2.423 20 10 DECDRO Oc1cc2ccccc2cc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001236836243 1138441858 /nfs/dbraw/zinc/44/18/58/1138441858.db2.gz GJFNXKOVTLTXLA-UHFFFAOYSA-N 1 0 321.384 2.053 20 10 DECDRO C[C@@H]1CC(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933147 1138460613 /nfs/dbraw/zinc/46/06/13/1138460613.db2.gz VPDGAXSVZVKSJD-CQSZACIVSA-N 1 0 319.424 2.131 20 10 DECDRO CN(Cc1ccon1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933957 1138460646 /nfs/dbraw/zinc/46/06/46/1138460646.db2.gz BFAFRWJDIQUVSH-UHFFFAOYSA-N 1 0 318.396 2.198 20 10 DECDRO CCOc1ccc(CN2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001237041948 1138485596 /nfs/dbraw/zinc/48/55/96/1138485596.db2.gz QZGQUJQHCZWEJU-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001237048797 1138489605 /nfs/dbraw/zinc/48/96/05/1138489605.db2.gz WMKPODFCIMGOHD-CJNGLKHVSA-N 1 0 318.417 2.234 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237055450 1138491101 /nfs/dbraw/zinc/49/11/01/1138491101.db2.gz OZYRFHNHTPOVLY-UHFFFAOYSA-N 1 0 307.390 2.016 20 10 DECDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053304 1138491189 /nfs/dbraw/zinc/49/11/89/1138491189.db2.gz JJIUNRWLYNANCV-NSHDSACASA-N 1 0 305.296 2.290 20 10 DECDRO C[N@@H+]1CCCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237118716 1138506671 /nfs/dbraw/zinc/50/66/71/1138506671.db2.gz ATEOEKQAMFHVSX-UHFFFAOYSA-N 1 0 304.312 2.428 20 10 DECDRO C[NH+](C)C1(C)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122928 1138508101 /nfs/dbraw/zinc/50/81/01/1138508101.db2.gz MCSQGNWHXJAZFB-UHFFFAOYSA-N 1 0 304.312 2.427 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2c(C)cccc2O)C1 ZINC001237489493 1138655893 /nfs/dbraw/zinc/65/58/93/1138655893.db2.gz YNOQOWAFIRKKHJ-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC001237492461 1138656266 /nfs/dbraw/zinc/65/62/66/1138656266.db2.gz QIZLCIPLIWMELA-UHFFFAOYSA-N 1 0 311.385 2.054 20 10 DECDRO O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(O)c2ccccc12 ZINC001237642800 1138732767 /nfs/dbraw/zinc/73/27/67/1138732767.db2.gz PRAQUBZBNAPVIC-UHFFFAOYSA-N 1 0 320.414 2.287 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c(OC)c1 ZINC001237669782 1138746730 /nfs/dbraw/zinc/74/67/30/1138746730.db2.gz NJQGDROEVHHTBM-SJKOYZFVSA-N 1 0 309.406 2.392 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1Br ZINC001237677425 1138750356 /nfs/dbraw/zinc/75/03/56/1138750356.db2.gz MYECUJHDFDNXCO-ZANVPECISA-N 1 0 300.196 2.276 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(O)c(OC)c1 ZINC001237678353 1138754040 /nfs/dbraw/zinc/75/40/40/1138754040.db2.gz YEGLBSGITZRDCZ-BXUZGUMPSA-N 1 0 305.374 2.210 20 10 DECDRO CCC[NH+]1C[C@H]2CN(Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237683177 1138755824 /nfs/dbraw/zinc/75/58/24/1138755824.db2.gz FQFDAXVCYZHBLS-GJZGRUSLSA-N 1 0 320.433 2.183 20 10 DECDRO Cc1cc(Cl)cc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c1O ZINC001237687378 1138757938 /nfs/dbraw/zinc/75/79/38/1138757938.db2.gz ZFYZAGACVXZEMU-AWEZNQCLSA-N 1 0 310.825 2.259 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001238066183 1138819594 /nfs/dbraw/zinc/81/95/94/1138819594.db2.gz JEGNZMTUZBRAIQ-IUODEOHRSA-N 1 0 306.381 2.282 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c1O ZINC001278354144 1140043879 /nfs/dbraw/zinc/04/38/79/1140043879.db2.gz GIMAMYDSAXZVHB-CRAIPNDOSA-N 1 0 302.418 2.487 20 10 DECDRO CC(C)CNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001245274944 1140590474 /nfs/dbraw/zinc/59/04/74/1140590474.db2.gz SALDNHKMESHODW-UHFFFAOYSA-N 1 0 321.490 2.477 20 10 DECDRO CC[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(C)cc1O ZINC001321072423 1141046441 /nfs/dbraw/zinc/04/64/41/1141046441.db2.gz IXIQUTWUTBBLCO-QGZVFWFLSA-N 1 0 306.450 2.446 20 10 DECDRO CCOc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246950484 1141166851 /nfs/dbraw/zinc/16/68/51/1141166851.db2.gz VSRIDOWYWFPDTD-BYICEURKSA-N 1 0 315.461 2.490 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC001321499737 1141289315 /nfs/dbraw/zinc/28/93/15/1141289315.db2.gz ADKXSKMVICTESJ-OAQYLSRUSA-N 1 0 305.399 2.428 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2conc2C)cc1C ZINC001321968541 1141374982 /nfs/dbraw/zinc/37/49/82/1141374982.db2.gz LAYOQWZNVRBHDJ-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001249201475 1141859077 /nfs/dbraw/zinc/85/90/77/1141859077.db2.gz UHOPPHVANAMIBM-OAHLLOKOSA-N 1 0 311.328 2.339 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3CC[N@@H+]4CC[C@@H]4C3)ccc2O1 ZINC001249258090 1141865320 /nfs/dbraw/zinc/86/53/20/1141865320.db2.gz CLLLPIPHGBPJFY-CQSZACIVSA-N 1 0 300.402 2.466 20 10 DECDRO COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001252734276 1142812763 /nfs/dbraw/zinc/81/27/63/1142812763.db2.gz VMDKASZTHIPMNI-KGLIPLIRSA-N 1 0 317.385 2.491 20 10 DECDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC001254388889 1143099341 /nfs/dbraw/zinc/09/93/41/1143099341.db2.gz KSXMZQGCKLZTPB-QGZVFWFLSA-N 1 0 320.433 2.013 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CC23CCCC3)cc1F ZINC001339892466 1143166287 /nfs/dbraw/zinc/16/62/87/1143166287.db2.gz HMXQDKRRBXAKAH-OAHLLOKOSA-N 1 0 305.397 2.040 20 10 DECDRO O=C1C[C@@H]2CC([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC001254916133 1143357988 /nfs/dbraw/zinc/35/79/88/1143357988.db2.gz WEGHHCBMYSSGBY-HOTGVXAUSA-N 1 0 314.429 2.371 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1[NH2+]CC12CCCC2 ZINC001341400333 1143595425 /nfs/dbraw/zinc/59/54/25/1143595425.db2.gz BSGVPGHQRIDZQG-QGZVFWFLSA-N 1 0 314.429 2.419 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1 ZINC001341629938 1143644526 /nfs/dbraw/zinc/64/45/26/1143644526.db2.gz MLRPCDSAQDJVSD-FUHWJXTLSA-N 1 0 301.434 2.291 20 10 DECDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677393 1143661333 /nfs/dbraw/zinc/66/13/33/1143661333.db2.gz NGZWCSFEHBXMLE-XJKSGUPXSA-N 1 0 303.450 2.449 20 10 DECDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC001262055723 1144287924 /nfs/dbraw/zinc/28/79/24/1144287924.db2.gz RNNNQMFIZZMAMA-ZDUSSCGKSA-N 1 0 322.405 2.326 20 10 DECDRO Nc1ccc(CNC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC001262603622 1144322550 /nfs/dbraw/zinc/32/25/50/1144322550.db2.gz OXHAKLKGXYBZJE-MRXNPFEDSA-N 1 0 316.449 2.380 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)[NH+]1CCCCC1 ZINC001263894313 1144421213 /nfs/dbraw/zinc/42/12/13/1144421213.db2.gz ASXQVQFQQMDPTJ-HNNXBMFYSA-N 1 0 306.406 2.225 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[NH+]1CCCC1 ZINC001290373909 1146835324 /nfs/dbraw/zinc/83/53/24/1146835324.db2.gz FFAYQJPITQYUBQ-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO CCN1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001308859811 1147488292 /nfs/dbraw/zinc/48/82/92/1147488292.db2.gz NDZVYZCTJKCKPO-HOTGVXAUSA-N 1 0 303.450 2.348 20 10 DECDRO COCCNC(=O)C1([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575152 1147953475 /nfs/dbraw/zinc/95/34/75/1147953475.db2.gz VZPUNGKAGIDGED-OLZOCXBDSA-N 1 0 318.417 2.134 20 10 DECDRO C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC001325624770 1147968184 /nfs/dbraw/zinc/96/81/84/1147968184.db2.gz FZJSNJJQRJEVNW-VIFPVBQESA-N 1 0 317.227 2.251 20 10 DECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079404026 185169227 /nfs/dbraw/zinc/16/92/27/185169227.db2.gz BOGBAXWQFKXFJN-CYBMUJFWSA-N 1 0 322.380 2.082 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000377816664 529781914 /nfs/dbraw/zinc/78/19/14/529781914.db2.gz JUSLVCCWNDITPK-LSDHHAIUSA-N 1 0 319.424 2.144 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cccnc2)c1 ZINC000273432706 130120887 /nfs/dbraw/zinc/12/08/87/130120887.db2.gz WEVQGKHIWUWCOH-GFCCVEGCSA-N 1 0 300.358 2.467 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273550462 130135237 /nfs/dbraw/zinc/13/52/37/130135237.db2.gz FVURMRDBVTUVGF-KZULUSFZSA-N 1 0 315.417 2.389 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCSC3(CCOCC3)C1)OCO2 ZINC000274390335 130230706 /nfs/dbraw/zinc/23/07/06/130230706.db2.gz AWYFSEMWOQHYIV-UHFFFAOYSA-N 1 0 323.414 2.219 20 10 DECDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000284407510 131077958 /nfs/dbraw/zinc/07/79/58/131077958.db2.gz QFMKYZBJRGSIRX-OAHLLOKOSA-N 1 0 304.434 2.479 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(O)c1O ZINC000286913387 131254994 /nfs/dbraw/zinc/25/49/94/131254994.db2.gz CYPJVTHEFPEVLQ-JSGCOSHPSA-N 1 0 304.390 2.105 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c1C ZINC000286924685 131256140 /nfs/dbraw/zinc/25/61/40/131256140.db2.gz FVNLKZURFWSVIA-KGLIPLIRSA-N 1 0 311.447 2.484 20 10 DECDRO CN1CCCc2cc(C[NH2+]Cc3cccc(C(N)=O)c3)ccc21 ZINC000126659294 401703349 /nfs/dbraw/zinc/70/33/49/401703349.db2.gz RRKBVEVMLRQDBC-UHFFFAOYSA-N 1 0 309.413 2.458 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c1 ZINC000093663189 402018909 /nfs/dbraw/zinc/01/89/09/402018909.db2.gz XBDUKZBXNFDSID-CYBMUJFWSA-N 1 0 305.447 2.310 20 10 DECDRO COCC[NH+](CCOC)Cc1cc(Cl)cc(OC)c1O ZINC000184672157 402290111 /nfs/dbraw/zinc/29/01/11/402290111.db2.gz NCWYTXKXWZDJCR-UHFFFAOYSA-N 1 0 303.786 2.149 20 10 DECDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000230199058 402349343 /nfs/dbraw/zinc/34/93/43/402349343.db2.gz GESALUAUCSIBSI-VVVCHXIZSA-N 1 0 320.252 2.401 20 10 DECDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000179005898 402563983 /nfs/dbraw/zinc/56/39/83/402563983.db2.gz VPZRRQAWLHURRA-HNNXBMFYSA-N 1 0 312.417 2.171 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H](C)CC)cc2=O ZINC000171950190 402635138 /nfs/dbraw/zinc/63/51/38/402635138.db2.gz XJHMOBPVCFNCFD-NSHDSACASA-N 1 0 320.393 2.090 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000262727596 402730205 /nfs/dbraw/zinc/73/02/05/402730205.db2.gz ATMOBQMQQBWXDD-KBPBESRZSA-N 1 0 312.417 2.312 20 10 DECDRO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158245 402767657 /nfs/dbraw/zinc/76/76/57/402767657.db2.gz UCIAJSUSIFLMDU-CHWSQXEVSA-N 1 0 318.417 2.481 20 10 DECDRO CCOc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1O ZINC000263707645 402793894 /nfs/dbraw/zinc/79/38/94/402793894.db2.gz SRRAGQMFWSLKKI-UHFFFAOYSA-N 1 0 306.406 2.328 20 10 DECDRO C[N@H+]1C[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC000194534861 402802094 /nfs/dbraw/zinc/80/20/94/402802094.db2.gz OCMMANOHIDLHEL-TXEJJXNPSA-N 1 0 311.223 2.148 20 10 DECDRO COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472487 402866315 /nfs/dbraw/zinc/86/63/15/402866315.db2.gz HOOOCSJVROVMDA-QWHCGFSZSA-N 1 0 323.393 2.271 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1C ZINC000278478749 402866978 /nfs/dbraw/zinc/86/69/78/402866978.db2.gz JBEAEQSZDGPCEU-INIZCTEOSA-N 1 0 314.433 2.496 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)c(O)c1 ZINC000278733442 402870072 /nfs/dbraw/zinc/87/00/72/402870072.db2.gz UPQFXZZIXRMXIB-DOTOQJQBSA-N 1 0 309.406 2.465 20 10 DECDRO CC(C)NC(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280079398 402967006 /nfs/dbraw/zinc/96/70/06/402967006.db2.gz YEECXGGWVHFXSF-UHFFFAOYSA-N 1 0 317.355 2.386 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1OC ZINC000280687097 403026991 /nfs/dbraw/zinc/02/69/91/403026991.db2.gz VKPZXWUGGUNLSG-DIFFPNOSSA-N 1 0 307.390 2.409 20 10 DECDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C)cc1O ZINC000280196265 402974255 /nfs/dbraw/zinc/97/42/55/402974255.db2.gz SOSRQGCCINKYIA-NSHDSACASA-N 1 0 304.312 2.420 20 10 DECDRO CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(C)cc1O ZINC000280262031 402980931 /nfs/dbraw/zinc/98/09/31/402980931.db2.gz XGFZFGLSNHSGGW-HZPDHXFCSA-N 1 0 319.449 2.081 20 10 DECDRO COc1cc(O)c(CN(C)CCC[NH+]2CCCC2)cc1OC ZINC000281375766 403066846 /nfs/dbraw/zinc/06/68/46/403066846.db2.gz VVHMFEFKTGFZIO-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO COc1ccc(N2CC[NH+](CCCc3nc(C)no3)CC2)cc1 ZINC000268640855 403101608 /nfs/dbraw/zinc/10/16/08/403101608.db2.gz HBQPGNCACBOVJV-UHFFFAOYSA-N 1 0 316.405 2.141 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCCc1ccc(N)cc1 ZINC000269150046 403123909 /nfs/dbraw/zinc/12/39/09/403123909.db2.gz OOJBDWYEDHWHNU-UHFFFAOYSA-N 1 0 303.431 2.364 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000269227917 403125036 /nfs/dbraw/zinc/12/50/36/403125036.db2.gz AYQALMLXHGNAHM-IMJJTQAJSA-N 1 0 319.424 2.429 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1F ZINC000282853669 403162081 /nfs/dbraw/zinc/16/20/81/403162081.db2.gz PRYBRBSYKNTWQT-OAHLLOKOSA-N 1 0 305.397 2.183 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282644314 403158149 /nfs/dbraw/zinc/15/81/49/403158149.db2.gz KOXFPWPHAYTMRA-AWEZNQCLSA-N 1 0 307.413 2.241 20 10 DECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000271178261 403274047 /nfs/dbraw/zinc/27/40/47/403274047.db2.gz KGCWHOBSVQLCMS-CYBMUJFWSA-N 1 0 305.374 2.176 20 10 DECDRO COCC(C)(C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292348258 403357467 /nfs/dbraw/zinc/35/74/67/403357467.db2.gz PPBQUAWDVLWOFS-UHFFFAOYSA-N 1 0 321.465 2.068 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000295091362 403756752 /nfs/dbraw/zinc/75/67/52/403756752.db2.gz JILHNQKJGGONOS-AWEZNQCLSA-N 1 0 308.378 2.063 20 10 DECDRO COCCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000289062974 403821856 /nfs/dbraw/zinc/82/18/56/403821856.db2.gz RLAYSWCJRAUKPE-UHFFFAOYSA-N 1 0 315.797 2.343 20 10 DECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000289655916 403991945 /nfs/dbraw/zinc/99/19/45/403991945.db2.gz MZTKCENHBJVDSI-GOEBONIOSA-N 1 0 321.440 2.187 20 10 DECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000290226139 404087945 /nfs/dbraw/zinc/08/79/45/404087945.db2.gz SHXGIALDFQYWJK-CYBMUJFWSA-N 1 0 308.378 2.111 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cc1F ZINC000290461795 404178388 /nfs/dbraw/zinc/17/83/88/404178388.db2.gz WMQZHBUEMBDDJM-MRXNPFEDSA-N 1 0 310.413 2.363 20 10 DECDRO CN(Cc1cnns1)Cc1ccc(N2CCOCC2)cc1 ZINC000296489090 404271307 /nfs/dbraw/zinc/27/13/07/404271307.db2.gz KZGVHXDGDWVAAV-UHFFFAOYSA-N 1 0 304.419 2.007 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000368540516 405242591 /nfs/dbraw/zinc/24/25/91/405242591.db2.gz YKJGEMCTLSWMEL-JCGIZDLHSA-N 1 0 303.450 2.266 20 10 DECDRO O=C(c1cccc(O)c1O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000193014362 225148122 /nfs/dbraw/zinc/14/81/22/225148122.db2.gz QYBCGLJRHDEURQ-ZDUSSCGKSA-N 1 0 304.390 2.188 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000377400770 227190627 /nfs/dbraw/zinc/19/06/27/227190627.db2.gz GYQZLTHDNFMGFX-MAUKXSAKSA-N 1 0 315.369 2.375 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](C)O ZINC000834886241 649857799 /nfs/dbraw/zinc/85/77/99/649857799.db2.gz AVFCPDWYGKLHHI-ZENOOKHLSA-N 1 0 310.413 2.472 20 10 DECDRO CC1(C)CN(C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662497516 425665836 /nfs/dbraw/zinc/66/58/36/425665836.db2.gz KRPWQLRYJWPRQT-GFCCVEGCSA-N 1 0 310.401 2.425 20 10 DECDRO CC[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]C1 ZINC000370844237 332267683 /nfs/dbraw/zinc/26/76/83/332267683.db2.gz BICCNOUATHIWOL-SFHVURJKSA-N 1 0 301.434 2.293 20 10 DECDRO CC(C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](C)[NH3+] ZINC000567052038 334606427 /nfs/dbraw/zinc/60/64/27/334606427.db2.gz KRONGJODHGSEMA-MLGOLLRUSA-N 1 0 305.422 2.097 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182232431 522212654 /nfs/dbraw/zinc/21/26/54/522212654.db2.gz YQYNKDYTNPMSST-HOTGVXAUSA-N 1 0 310.463 2.198 20 10 DECDRO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000261671719 522323590 /nfs/dbraw/zinc/32/35/90/522323590.db2.gz GTEXYQLEUVMNQP-LBPRGKRZSA-N 1 0 315.417 2.440 20 10 DECDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000269037145 522990387 /nfs/dbraw/zinc/99/03/87/522990387.db2.gz VUMBAOIXIFOYGN-DZGCQCFKSA-N 1 0 310.413 2.474 20 10 DECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CC[C@@H]21 ZINC000181215090 523855201 /nfs/dbraw/zinc/85/52/01/523855201.db2.gz HVVGTOQQSWQLLK-CJKAQPIMSA-N 1 0 316.401 2.054 20 10 DECDRO C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)C2(CCCCC2)C1 ZINC000237193143 523876084 /nfs/dbraw/zinc/87/60/84/523876084.db2.gz ZONZGMJCVOWDMV-UHFFFAOYSA-N 1 0 301.434 2.288 20 10 DECDRO C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCCCCC1 ZINC000156603709 524191890 /nfs/dbraw/zinc/19/18/90/524191890.db2.gz CGCNCZWJDCNTKY-ZDUSSCGKSA-N 1 0 306.406 2.021 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000180522295 524737772 /nfs/dbraw/zinc/73/77/72/524737772.db2.gz VFYOBRWUBGWBIO-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(Br)cc1O ZINC000188993134 525588111 /nfs/dbraw/zinc/58/81/11/525588111.db2.gz ANUYMESVOJUMKS-BDAKNGLRSA-N 1 0 315.211 2.282 20 10 DECDRO COc1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180334777 525931754 /nfs/dbraw/zinc/93/17/54/525931754.db2.gz FWNKSBJWPIVIIA-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1O ZINC000189010096 526036310 /nfs/dbraw/zinc/03/63/10/526036310.db2.gz RITOJCQSGZZEDK-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO Cc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(O)c1O ZINC000182261995 526170323 /nfs/dbraw/zinc/17/03/23/526170323.db2.gz JEAJUJUQJLCMRI-CYBMUJFWSA-N 1 0 306.406 2.401 20 10 DECDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000237102164 526218867 /nfs/dbraw/zinc/21/88/67/526218867.db2.gz BOFWAQFKSHSQFR-UHFFFAOYSA-N 1 0 312.417 2.313 20 10 DECDRO NC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000158582606 526858186 /nfs/dbraw/zinc/85/81/86/526858186.db2.gz RWWDVXVCFLVGTJ-UHFFFAOYSA-N 1 0 301.434 2.374 20 10 DECDRO O=C1NCCN1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000127616166 527068946 /nfs/dbraw/zinc/06/89/46/527068946.db2.gz JASMRXGCEINQMR-UHFFFAOYSA-N 1 0 309.797 2.035 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000237883225 527475884 /nfs/dbraw/zinc/47/58/84/527475884.db2.gz MDWCHYVFVJCCIF-KRWDZBQOSA-N 1 0 301.434 2.288 20 10 DECDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000179934461 527596462 /nfs/dbraw/zinc/59/64/62/527596462.db2.gz PPUFRNDHCIFKAS-ZDUSSCGKSA-N 1 0 306.381 2.270 20 10 DECDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368667428 527992578 /nfs/dbraw/zinc/99/25/78/527992578.db2.gz RLRMZKGPEAJSAT-LJQANCHMSA-N 1 0 318.461 2.364 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1 ZINC000295110310 528687617 /nfs/dbraw/zinc/68/76/17/528687617.db2.gz LOELQEXFGUWKTI-MRXNPFEDSA-N 1 0 322.449 2.117 20 10 DECDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286075344 535936419 /nfs/dbraw/zinc/93/64/19/535936419.db2.gz CLNMHUONOTXKEW-LYEGFCJJSA-N 1 0 316.401 2.195 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CO)CCOCC2)cc1 ZINC000835040648 649870369 /nfs/dbraw/zinc/87/03/69/649870369.db2.gz FDQGGEVSSJPVSI-ARJAWSKDSA-N 1 0 304.434 2.145 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000835038430 649870382 /nfs/dbraw/zinc/87/03/82/649870382.db2.gz AITOYWMMJZZCIX-WHLIDYPQSA-N 1 0 304.434 2.143 20 10 DECDRO COC[C@]1(CO)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055513 649872999 /nfs/dbraw/zinc/87/29/99/649872999.db2.gz VKIVVQQVWZEFRT-SHCNBLLESA-N 1 0 304.434 2.097 20 10 DECDRO COCCN(C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000102197770 649971703 /nfs/dbraw/zinc/97/17/03/649971703.db2.gz GYSXDWWCTMPWEY-UHFFFAOYSA-N 1 0 305.466 2.345 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825981881 608406315 /nfs/dbraw/zinc/40/63/15/608406315.db2.gz ZHRJAWSEHLNIFM-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890759191 623197620 /nfs/dbraw/zinc/19/76/20/623197620.db2.gz GEBSPJULRWYFPM-UHFFFAOYSA-N 1 0 319.792 2.432 20 10 DECDRO CC[C@@](C)(OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248772 623794335 /nfs/dbraw/zinc/79/43/35/623794335.db2.gz NVGYMOOFHBYYSB-FUHWJXTLSA-N 1 0 321.465 2.287 20 10 DECDRO COCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252713 623798402 /nfs/dbraw/zinc/79/84/02/623798402.db2.gz MVPRJMQNHJPHKI-MRXNPFEDSA-N 1 0 321.465 2.144 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/C2CC2)[NH+](C)C)cc1 ZINC000891254532 623800165 /nfs/dbraw/zinc/80/01/65/623800165.db2.gz ZGCNEFYRNVUNRR-CRVDFBCUSA-N 1 0 301.434 2.438 20 10 DECDRO C[C@@H](NC(=O)NCc1cc(N)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000891813899 624613142 /nfs/dbraw/zinc/61/31/42/624613142.db2.gz NDXBNLIGFRKRLF-GFCCVEGCSA-N 1 0 313.405 2.290 20 10 DECDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000045174318 624877125 /nfs/dbraw/zinc/87/71/25/624877125.db2.gz MIPRLTBSHRUEFM-UHFFFAOYSA-N 1 0 304.415 2.005 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cocn3)C2)cc1C ZINC001020026337 625026191 /nfs/dbraw/zinc/02/61/91/625026191.db2.gz QBJMWFTUQJLYIW-HDJSIYSDSA-N 1 0 315.373 2.042 20 10 DECDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000066191512 625044477 /nfs/dbraw/zinc/04/44/77/625044477.db2.gz KOLQOPIOXWIYQG-ZDUSSCGKSA-N 1 0 324.444 2.421 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccnc2OC)c(O)c1OC ZINC000892543537 625132252 /nfs/dbraw/zinc/13/22/52/625132252.db2.gz KIMYTPGCYKSXOV-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccc3c2OCO3)c(O)c1OC ZINC000892653966 625229831 /nfs/dbraw/zinc/22/98/31/625229831.db2.gz GYKRGODHRSUKHW-UHFFFAOYSA-N 1 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COC1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921819726 635400572 /nfs/dbraw/zinc/40/05/72/635400572.db2.gz HIXJMEABAPYWHE-UHFFFAOYSA-N 1 0 304.434 2.212 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000893902680 636058783 /nfs/dbraw/zinc/05/87/83/636058783.db2.gz LLWVIPOFWMQCLV-INIZCTEOSA-N 1 0 320.433 2.006 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000922724470 636355874 /nfs/dbraw/zinc/35/58/74/636355874.db2.gz KBNHGPNVBSLKLX-PFQVVGMRSA-N 1 0 302.418 2.159 20 10 DECDRO Cc1ncoc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000894203873 636412239 /nfs/dbraw/zinc/41/22/39/636412239.db2.gz WUZJMLKYCNZMLD-UHFFFAOYSA-N 1 0 315.417 2.482 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1O ZINC000922810742 636416847 /nfs/dbraw/zinc/41/68/47/636416847.db2.gz QVWJCEPCOMXZQB-CQSZACIVSA-N 1 0 307.390 2.219 20 10 DECDRO CCC[C@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922817961 636426363 /nfs/dbraw/zinc/42/63/63/636426363.db2.gz QMHHTKKCAFMHLQ-KRWDZBQOSA-N 1 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637951678 /nfs/dbraw/zinc/95/16/78/637951678.db2.gz YFRCWKUEEKPUMW-CQSZACIVSA-N 1 0 303.406 2.080 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000895347007 637952398 /nfs/dbraw/zinc/95/23/98/637952398.db2.gz YFRCWKUEEKPUMW-AWEZNQCLSA-N 1 0 303.406 2.080 20 10 DECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895394178 637997571 /nfs/dbraw/zinc/99/75/71/637997571.db2.gz VZVKWVSFHQCEQV-AWEZNQCLSA-N 1 0 305.374 2.451 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1O ZINC000895458892 638034380 /nfs/dbraw/zinc/03/43/80/638034380.db2.gz UFVKOKZBFVBROG-OAHLLOKOSA-N 1 0 321.417 2.385 20 10 DECDRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840931215 650387806 /nfs/dbraw/zinc/38/78/06/650387806.db2.gz DBOGCWBLHMOZQU-SFHVURJKSA-N 1 0 305.466 2.261 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)c(Cl)c1 ZINC000840938301 650390115 /nfs/dbraw/zinc/39/01/15/650390115.db2.gz BFDCYFXBBQHCTR-UHFFFAOYSA-N 1 0 310.781 2.428 20 10 DECDRO CC(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC000895577200 638090380 /nfs/dbraw/zinc/09/03/80/638090380.db2.gz UQTADITYCYGHBE-JDVOYXAPSA-N 1 0 313.445 2.176 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CC2)c(Cl)c1 ZINC000840942050 650391522 /nfs/dbraw/zinc/39/15/22/650391522.db2.gz QNFFXKQEHPDMGQ-UHFFFAOYSA-N 1 0 310.825 2.308 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(C)cc2O)n(C)c1C ZINC000895647185 638124200 /nfs/dbraw/zinc/12/42/00/638124200.db2.gz RIDJZFFCDOVGDV-UHFFFAOYSA-N 1 0 302.374 2.424 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cc(F)ccc2O)n(C)c1C ZINC000895647236 638124403 /nfs/dbraw/zinc/12/44/03/638124403.db2.gz SXZJKOPWHQTPHB-UHFFFAOYSA-N 1 0 306.337 2.255 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000840949924 650393733 /nfs/dbraw/zinc/39/37/33/650393733.db2.gz CKTHRHYNXTVMEZ-UHOSZYNNSA-N 1 0 318.461 2.423 20 10 DECDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503629 638152913 /nfs/dbraw/zinc/15/29/13/638152913.db2.gz GHVPQDSOSRFVMQ-AWEZNQCLSA-N 1 0 307.394 2.446 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000840966067 650396538 /nfs/dbraw/zinc/39/65/38/650396538.db2.gz OXJDJRBUWDSXRH-UHFFFAOYSA-N 1 0 303.811 2.021 20 10 DECDRO CN(Cc1cc2c(cc1O)OCO2)C(C)(C)C[NH+]1CCCC1 ZINC000841892906 638158652 /nfs/dbraw/zinc/15/86/52/638158652.db2.gz ADLBPWFTEHVJQS-UHFFFAOYSA-N 1 0 306.406 2.427 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000895750248 638178968 /nfs/dbraw/zinc/17/89/68/638178968.db2.gz YIYMKCQTKDTFGR-STQMWFEESA-N 1 0 315.797 2.074 20 10 DECDRO CCn1ncc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840976291 650398858 /nfs/dbraw/zinc/39/88/58/650398858.db2.gz OBJFTIBJBFIOMN-AWEZNQCLSA-N 1 0 301.438 2.393 20 10 DECDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895888252 638250000 /nfs/dbraw/zinc/25/00/00/638250000.db2.gz QTLIEAYYDHAMHS-JTQLQIEISA-N 1 0 306.387 2.137 20 10 DECDRO Nc1ccc(CC[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000841033782 650410016 /nfs/dbraw/zinc/41/00/16/650410016.db2.gz BCAHURLBOKCFFM-UHFFFAOYSA-N 1 0 311.429 2.438 20 10 DECDRO CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841073471 650423146 /nfs/dbraw/zinc/42/31/46/650423146.db2.gz UVFNKENQEFEHDV-QGZVFWFLSA-N 1 0 303.450 2.001 20 10 DECDRO [NH3+]CC[C@@H](NCc1cc(Br)ccc1O)C(F)F ZINC000841075189 650423204 /nfs/dbraw/zinc/42/32/04/650423204.db2.gz XTYNCNYTWREVTQ-SECBINFHSA-N 1 0 309.154 2.227 20 10 DECDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000748570202 638572915 /nfs/dbraw/zinc/57/29/15/638572915.db2.gz LNCDFSDULHWOBF-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000896619034 638609660 /nfs/dbraw/zinc/60/96/60/638609660.db2.gz SOIFTWMTNRWPAC-KRWDZBQOSA-N 1 0 305.466 2.261 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1 ZINC000897018272 639128033 /nfs/dbraw/zinc/12/80/33/639128033.db2.gz JLBMROHHKRVHAH-UHFFFAOYSA-N 1 0 320.389 2.255 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000897019971 639128985 /nfs/dbraw/zinc/12/89/85/639128985.db2.gz RPBVVDYWUVWVSX-CQSZACIVSA-N 1 0 320.389 2.030 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC000754726017 639464981 /nfs/dbraw/zinc/46/49/81/639464981.db2.gz LBYYKVSGAJFHRR-UHFFFAOYSA-N 1 0 316.405 2.217 20 10 DECDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000728914900 639636311 /nfs/dbraw/zinc/63/63/11/639636311.db2.gz YYKGDOAZJPSUNM-IRXDYDNUSA-N 1 0 323.440 2.428 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCC2CC2)c2c1c(F)ccc2O ZINC000756512125 639668100 /nfs/dbraw/zinc/66/81/00/639668100.db2.gz VOYREGXDGJYLCO-SCDSUCTJSA-N 1 0 309.381 2.457 20 10 DECDRO COCCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756552174 639672781 /nfs/dbraw/zinc/67/27/81/639672781.db2.gz LTUXXXQZUCCJOE-SGMGOOAPSA-N 1 0 308.397 2.390 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(CCO)CCOC2)c2c1c(F)ccc2O ZINC000756654610 639681940 /nfs/dbraw/zinc/68/19/40/639681940.db2.gz LBVQQAZBKWLJEJ-NDGTYSDOSA-N 1 0 309.381 2.458 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756735979 639691107 /nfs/dbraw/zinc/69/11/07/639691107.db2.gz JWNJEBIVCANPNP-NRUUGDAUSA-N 1 0 304.365 2.433 20 10 DECDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)S(C)(=O)=O ZINC000756768954 639692999 /nfs/dbraw/zinc/69/29/99/639692999.db2.gz BQFXEAQLXVWFTK-FXPVBKGRSA-N 1 0 301.383 2.102 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000841624670 650526198 /nfs/dbraw/zinc/52/61/98/650526198.db2.gz WHYUYLGKBOZINM-UHFFFAOYSA-N 1 0 318.465 2.375 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000841656292 650530931 /nfs/dbraw/zinc/53/09/31/650530931.db2.gz ZFZOGYRFAUSYQH-ZBFHGGJFSA-N 1 0 304.438 2.021 20 10 DECDRO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000841656288 650530999 /nfs/dbraw/zinc/53/09/99/650530999.db2.gz ZFZOGYRFAUSYQH-GOEBONIOSA-N 1 0 304.438 2.021 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1 ZINC000841717978 650550522 /nfs/dbraw/zinc/55/05/22/650550522.db2.gz OYDJGVDDQABYEE-HUUCEWRRSA-N 1 0 318.465 2.425 20 10 DECDRO C[N@@H+]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759566457 640084693 /nfs/dbraw/zinc/08/46/93/640084693.db2.gz CNWACVMQHQRSGL-NSHDSACASA-N 1 0 314.480 2.019 20 10 DECDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000841709372 650546876 /nfs/dbraw/zinc/54/68/76/650546876.db2.gz DXPCPPKHHYMVSN-GJZGRUSLSA-N 1 0 316.449 2.179 20 10 DECDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709941 650547004 /nfs/dbraw/zinc/54/70/04/650547004.db2.gz QADAATGCGQAGFY-KRWDZBQOSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCc1ccc(N)cc1 ZINC000841734843 650553719 /nfs/dbraw/zinc/55/37/19/650553719.db2.gz UKWIDRGDGFSFRO-CABCVRRESA-N 1 0 318.465 2.231 20 10 DECDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000841759394 650558710 /nfs/dbraw/zinc/55/87/10/650558710.db2.gz 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CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1O ZINC000898152589 641038478 /nfs/dbraw/zinc/03/84/78/641038478.db2.gz LSDCBIGTYTVCKG-JSGCOSHPSA-N 1 0 314.389 2.207 20 10 DECDRO CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000898218219 641051553 /nfs/dbraw/zinc/05/15/53/641051553.db2.gz AXUHKYHJAIHVDO-UHFFFAOYSA-N 1 0 312.841 2.371 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000768250700 641062416 /nfs/dbraw/zinc/06/24/16/641062416.db2.gz ABSKRZVDZLUEST-UHFFFAOYSA-N 1 0 318.339 2.471 20 10 DECDRO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463705 641085139 /nfs/dbraw/zinc/08/51/39/641085139.db2.gz VTLGGEDVGPWLNH-AWEZNQCLSA-N 1 0 320.414 2.339 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3C3CC3)cc2)CC1 ZINC000898377509 641125172 /nfs/dbraw/zinc/12/51/72/641125172.db2.gz VNXRAOHTYPOYEQ-RTBURBONSA-N 1 0 316.445 2.162 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)CC)CC2)c(O)c1 ZINC000768926125 641144233 /nfs/dbraw/zinc/14/42/33/641144233.db2.gz 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Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836676 642103922 /nfs/dbraw/zinc/10/39/22/642103922.db2.gz PDHAGSLOVDKNMZ-NSHDSACASA-N 1 0 315.421 2.382 20 10 DECDRO CS[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1[NH+]1CCCC1 ZINC000776215796 642145383 /nfs/dbraw/zinc/14/53/83/642145383.db2.gz KCIMTHMACLSGDQ-WCQYABFASA-N 1 0 312.460 2.106 20 10 DECDRO COC(=O)C1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000777223490 642248075 /nfs/dbraw/zinc/24/80/75/642248075.db2.gz ZAFIZLDWBRJSHR-UHFFFAOYSA-N 1 0 318.417 2.207 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000842475851 650748147 /nfs/dbraw/zinc/74/81/47/650748147.db2.gz ZMBSSWDGCBAFQD-QGZVFWFLSA-N 1 0 306.381 2.309 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900632767 642429653 /nfs/dbraw/zinc/42/96/53/642429653.db2.gz IXCBQVLPJCOTCX-UHFFFAOYSA-N 1 0 320.414 2.480 20 10 DECDRO CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000779489469 642505639 /nfs/dbraw/zinc/50/56/39/642505639.db2.gz PGUZUENJVVQNBA-VQHVLOKHSA-N 1 0 318.417 2.492 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C ZINC000779517932 642506775 /nfs/dbraw/zinc/50/67/75/642506775.db2.gz AILPMKOERRCBDJ-CSIFZYERSA-N 1 0 318.417 2.442 20 10 DECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514368 642506812 /nfs/dbraw/zinc/50/68/12/642506812.db2.gz LEWNXGMPQFTQDC-TXKQXAOOSA-N 1 0 318.417 2.490 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000782980746 642949665 /nfs/dbraw/zinc/94/96/65/642949665.db2.gz WWOJKKFBUBTOGR-BDAKNGLRSA-N 1 0 318.211 2.412 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CO1 ZINC000842669678 650800377 /nfs/dbraw/zinc/80/03/77/650800377.db2.gz NPLAEZFMPCGZEH-YOEHRIQHSA-N 1 0 304.434 2.162 20 10 DECDRO CCSCC[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000783651504 643034047 /nfs/dbraw/zinc/03/40/47/643034047.db2.gz RMOGLOYHBZAZPO-HNNXBMFYSA-N 1 0 321.490 2.231 20 10 DECDRO CN(C)c1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000902518702 643063666 /nfs/dbraw/zinc/06/36/66/643063666.db2.gz TZYVUBSEGGPZAM-RYRKJORJSA-N 1 0 304.482 2.215 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1C ZINC000902640824 643095889 /nfs/dbraw/zinc/09/58/89/643095889.db2.gz NFPKWVAEKRXCNM-DLBZAZTESA-N 1 0 304.434 2.040 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cn(C)nn3)CC2)cc1 ZINC000902787052 643145673 /nfs/dbraw/zinc/14/56/73/643145673.db2.gz WELNLXMNCVLVHJ-CYBMUJFWSA-N 1 0 315.421 2.143 20 10 DECDRO CC[C@H]([NH2+]CCCc1nnnn1C)c1cc(Cl)ccc1O ZINC000903348857 643322985 /nfs/dbraw/zinc/32/29/85/643322985.db2.gz MQNCKIGBQPVWSM-LBPRGKRZSA-N 1 0 309.801 2.243 20 10 DECDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)CO ZINC000903448598 643354983 /nfs/dbraw/zinc/35/49/83/643354983.db2.gz QRLCEHQVHSNJMI-YOEHRIQHSA-N 1 0 307.482 2.352 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787443198 643495876 /nfs/dbraw/zinc/49/58/76/643495876.db2.gz BLLPWRUTKQOSKC-ABAIWWIYSA-N 1 0 304.390 2.205 20 10 DECDRO CCOc1ccc(O)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903973197 643530961 /nfs/dbraw/zinc/53/09/61/643530961.db2.gz BCSMLDZVFJXXJJ-HNNXBMFYSA-N 1 0 320.433 2.039 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000842918197 650852266 /nfs/dbraw/zinc/85/22/66/650852266.db2.gz DKOAIQFBKYBDFM-SJCJKPOMSA-N 1 0 309.406 2.229 20 10 DECDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789557537 643749385 /nfs/dbraw/zinc/74/93/85/643749385.db2.gz JYVSALASKUTSRZ-QGZVFWFLSA-N 1 0 308.397 2.009 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2(O)CCC2)cc1F ZINC000905106515 643791031 /nfs/dbraw/zinc/79/10/31/643791031.db2.gz QLJBYMHLZASILL-INIZCTEOSA-N 1 0 310.413 2.037 20 10 DECDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000905319210 643862809 /nfs/dbraw/zinc/86/28/09/643862809.db2.gz VPHVXNTZENIQNG-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO Oc1ccc(Br)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843056344 650879474 /nfs/dbraw/zinc/87/94/74/650879474.db2.gz YLPSWGFBDRUKPJ-CYBMUJFWSA-N 1 0 311.223 2.481 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]CC2(O)CCCC2)N(C)C)cc1 ZINC000905705037 644008107 /nfs/dbraw/zinc/00/81/07/644008107.db2.gz PVJVHDOSDCIPPH-KRWDZBQOSA-N 1 0 305.466 2.250 20 10 DECDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@H]1C ZINC000905711308 644010626 /nfs/dbraw/zinc/01/06/26/644010626.db2.gz FDDNPVQHCHDLAK-CHWSQXEVSA-N 1 0 307.390 2.340 20 10 DECDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c(O)c1 ZINC000843113867 650898091 /nfs/dbraw/zinc/89/80/91/650898091.db2.gz CKEIJOOZAFOAOX-KRWDZBQOSA-N 1 0 313.401 2.332 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000793230647 644212922 /nfs/dbraw/zinc/21/29/22/644212922.db2.gz HLSAHSVENFDPKL-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO COc1c(O)c(C[NH2+]Cc2cccnc2F)ccc1[N+](=O)[O-] ZINC000793288457 644226563 /nfs/dbraw/zinc/22/65/63/644226563.db2.gz FMASLLVVERXPCM-UHFFFAOYSA-N 1 0 307.281 2.133 20 10 DECDRO COc1c([O-])c(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000843127169 650902297 /nfs/dbraw/zinc/90/22/97/650902297.db2.gz ABMARJKNTLNYOA-UHFFFAOYSA-N 1 0 317.345 2.058 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)oc1C ZINC000793387565 644243812 /nfs/dbraw/zinc/24/38/12/644243812.db2.gz HJUHHYQQMGSTRT-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c(O)c1 ZINC000794377770 644405340 /nfs/dbraw/zinc/40/53/40/644405340.db2.gz KDYOFONNWKDYMP-INIZCTEOSA-N 1 0 318.417 2.424 20 10 DECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000794830574 644481683 /nfs/dbraw/zinc/48/16/83/644481683.db2.gz YGFQIADDANKOFP-VIFPVBQESA-N 1 0 303.811 2.273 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000795630317 644608411 /nfs/dbraw/zinc/60/84/11/644608411.db2.gz GJEZQAYRTKLGAP-SFHVURJKSA-N 1 0 314.385 2.322 20 10 DECDRO Cc1cccnc1/C=C/C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298035 650944489 /nfs/dbraw/zinc/94/44/89/650944489.db2.gz LNQIGLYUBJRXTN-SXSDINLZSA-N 1 0 324.428 2.285 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](c2nncn2C)C(C)C)c1 ZINC000796454767 644739444 /nfs/dbraw/zinc/73/94/44/644739444.db2.gz RIVNQXNWYZMJTQ-HNNXBMFYSA-N 1 0 304.394 2.406 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000796638829 644769555 /nfs/dbraw/zinc/76/95/55/644769555.db2.gz KADMHUMILOYRMP-KRWDZBQOSA-N 1 0 318.465 2.426 20 10 DECDRO COCc1noc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349796 650955001 /nfs/dbraw/zinc/95/50/01/650955001.db2.gz CSRIKYDCNVWWRB-LLVKDONJSA-N 1 0 302.378 2.189 20 10 DECDRO COC[C@H](C)OC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459805 644867223 /nfs/dbraw/zinc/86/72/23/644867223.db2.gz LIMHONBWWFWYOW-BBRMVZONSA-N 1 0 323.437 2.116 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000843417748 650970711 /nfs/dbraw/zinc/97/07/11/650970711.db2.gz KFGPTPPLLANQQI-INIZCTEOSA-N 1 0 309.431 2.499 20 10 DECDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103615581 645093896 /nfs/dbraw/zinc/09/38/96/645093896.db2.gz NIOZQEUUTPVSAM-STQMWFEESA-N 1 0 323.437 2.491 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000843489484 650983693 /nfs/dbraw/zinc/98/36/93/650983693.db2.gz PTBCUFLTQLZOGA-VZAMPYOESA-N 1 0 318.417 2.499 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cn2)c1 ZINC000799313877 645156008 /nfs/dbraw/zinc/15/60/08/645156008.db2.gz HVYNBNDZEZGIQN-QLJPJBMISA-N 1 0 306.337 2.319 20 10 DECDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910953848 645593426 /nfs/dbraw/zinc/59/34/26/645593426.db2.gz GYVJMIJTCRNEDK-QGZVFWFLSA-N 1 0 314.385 2.407 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1O ZINC000806173045 645805819 /nfs/dbraw/zinc/80/58/19/645805819.db2.gz DPGGUTTUMZIHBI-GHMZBOCLSA-N 1 0 301.383 2.007 20 10 DECDRO CCc1nocc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840089514 645931762 /nfs/dbraw/zinc/93/17/62/645931762.db2.gz OGWFNLZTNTWZGQ-HNNXBMFYSA-N 1 0 304.346 2.000 20 10 DECDRO O=C([C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)N1CCCC1 ZINC000808205815 646056328 /nfs/dbraw/zinc/05/63/28/646056328.db2.gz DVXKAOHZEFRQRT-INIZCTEOSA-N 1 0 314.429 2.325 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000809704016 646265347 /nfs/dbraw/zinc/26/53/47/646265347.db2.gz TWCQEOMNZBLETF-JTQLQIEISA-N 1 0 317.838 2.409 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000809704019 646265456 /nfs/dbraw/zinc/26/54/56/646265456.db2.gz TWCQEOMNZBLETF-SNVBAGLBSA-N 1 0 317.838 2.409 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000809698444 646266036 /nfs/dbraw/zinc/26/60/36/646266036.db2.gz YVLCITIYMKTBHM-HNNXBMFYSA-N 1 0 321.440 2.188 20 10 DECDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C1CC1 ZINC000809751212 646275994 /nfs/dbraw/zinc/27/59/94/646275994.db2.gz DZYXZCISRMMTIC-CYBMUJFWSA-N 1 0 300.196 2.357 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164229451 646424228 /nfs/dbraw/zinc/42/42/28/646424228.db2.gz SKJCFECZDQLISP-CQSZACIVSA-N 1 0 320.433 2.447 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000170719456 646660110 /nfs/dbraw/zinc/66/01/10/646660110.db2.gz USQJFHPNUOLSEB-QGZVFWFLSA-N 1 0 316.449 2.132 20 10 DECDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000812779208 646693926 /nfs/dbraw/zinc/69/39/26/646693926.db2.gz YNDJBWUJOKWVLM-MRXNPFEDSA-N 1 0 308.397 2.008 20 10 DECDRO COCC1=CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000187612397 646728226 /nfs/dbraw/zinc/72/82/26/646728226.db2.gz AFLSSSRARBBXBI-UHFFFAOYSA-N 1 0 302.418 2.302 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)ccc1N(C)C ZINC000815079714 646964290 /nfs/dbraw/zinc/96/42/90/646964290.db2.gz UEHAMHURKDGCOI-MRXNPFEDSA-N 1 0 301.434 2.258 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000815118239 646973978 /nfs/dbraw/zinc/97/39/78/646973978.db2.gz UGYQMWKGOZEXIL-QFBILLFUSA-N 1 0 317.477 2.438 20 10 DECDRO COc1cccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000815155563 646980578 /nfs/dbraw/zinc/98/05/78/646980578.db2.gz SDQFEYKLGDYYBY-AWEZNQCLSA-N 1 0 300.358 2.107 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1n1cccn1 ZINC000815167186 646982924 /nfs/dbraw/zinc/98/29/24/646982924.db2.gz TYZLNDHIWURDKY-NUEKZKHPSA-N 1 0 317.389 2.106 20 10 DECDRO OCCCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816509230 647144350 /nfs/dbraw/zinc/14/43/50/647144350.db2.gz IUZIDOBYKGKAFH-UHFFFAOYSA-N 1 0 314.429 2.436 20 10 DECDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816563402 647152510 /nfs/dbraw/zinc/15/25/10/647152510.db2.gz WXJAPXGADWIYFV-AWEZNQCLSA-N 1 0 300.402 2.356 20 10 DECDRO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600408 647157078 /nfs/dbraw/zinc/15/70/78/647157078.db2.gz VYCCWJNQNAMVCU-AWEZNQCLSA-N 1 0 305.399 2.164 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000816655578 647163370 /nfs/dbraw/zinc/16/33/70/647163370.db2.gz JYGRIJMOGLLNIO-UHFFFAOYSA-N 1 0 308.378 2.063 20 10 DECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000816938993 647201261 /nfs/dbraw/zinc/20/12/61/647201261.db2.gz PVIMVIMNYKMBNN-CYBMUJFWSA-N 1 0 302.418 2.229 20 10 DECDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1=O ZINC000817409995 647288275 /nfs/dbraw/zinc/28/82/75/647288275.db2.gz HJQDKYIUOKFKIH-CHWSQXEVSA-N 1 0 306.406 2.310 20 10 DECDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817889345 647371661 /nfs/dbraw/zinc/37/16/61/647371661.db2.gz SSUCJHQKFNHMKM-PBHICJAKSA-N 1 0 305.491 2.327 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817959179 647393965 /nfs/dbraw/zinc/39/39/65/647393965.db2.gz COXGWTBXOXLETI-LNSITVRQSA-N 1 0 306.406 2.347 20 10 DECDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965482 647395651 /nfs/dbraw/zinc/39/56/51/647395651.db2.gz RMBMMXNUDQVWEW-MLGOLLRUSA-N 1 0 307.413 2.050 20 10 DECDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000817997807 647403401 /nfs/dbraw/zinc/40/34/01/647403401.db2.gz XRSUPOKSQZGQHO-WBMJQRKESA-N 1 0 302.418 2.275 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)n(C)n3)C2)cc1 ZINC000818220287 647434916 /nfs/dbraw/zinc/43/49/16/647434916.db2.gz GZPTTXXLBMQCGC-HNNXBMFYSA-N 1 0 314.433 2.353 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCN2CCOC2=O)C2CC2)cc1 ZINC000731103551 647447442 /nfs/dbraw/zinc/44/74/42/647447442.db2.gz BBGKICDTKSCKGD-UHFFFAOYSA-N 1 0 303.406 2.169 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000818361669 647458131 /nfs/dbraw/zinc/45/81/31/647458131.db2.gz MNEGLNLFRBZGAJ-BXKDBHETSA-N 1 0 310.781 2.152 20 10 DECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2F)C[C@H](C)O1 ZINC000818966013 647552003 /nfs/dbraw/zinc/55/20/03/647552003.db2.gz GYZRKCTYXIRIGZ-FHSNZYRGSA-N 1 0 322.424 2.300 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1F ZINC000819043384 647570894 /nfs/dbraw/zinc/57/08/94/647570894.db2.gz RKRBZPQMAHKOCG-OAHLLOKOSA-N 1 0 320.412 2.019 20 10 DECDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000821071069 647983940 /nfs/dbraw/zinc/98/39/40/647983940.db2.gz URNQUQOZZYZLSU-ZDUSSCGKSA-N 1 0 302.418 2.229 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC000823661885 648463581 /nfs/dbraw/zinc/46/35/81/648463581.db2.gz DQDVKGNUQUUHIG-HNNXBMFYSA-N 1 0 303.450 2.204 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000824501998 648598403 /nfs/dbraw/zinc/59/84/03/648598403.db2.gz WLXXARGHHPXUEM-GJZGRUSLSA-N 1 0 310.825 2.259 20 10 DECDRO Cc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824517387 648600999 /nfs/dbraw/zinc/60/09/99/648600999.db2.gz UBHVHZOMCIPJSC-AWEZNQCLSA-N 1 0 317.410 2.361 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)F ZINC000824634572 648627285 /nfs/dbraw/zinc/62/72/85/648627285.db2.gz ATQNXQMQMRYLHU-HUUCEWRRSA-N 1 0 314.376 2.017 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000825247191 648730724 /nfs/dbraw/zinc/73/07/24/648730724.db2.gz OEOFDJFTNWPRED-UONOGXRCSA-N 1 0 310.825 2.307 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000825973979 648832875 /nfs/dbraw/zinc/83/28/75/648832875.db2.gz WPGLRBNMRGZWKS-DLBZAZTESA-N 1 0 301.434 2.005 20 10 DECDRO Cc1cc(O)c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC000826130012 648853474 /nfs/dbraw/zinc/85/34/74/648853474.db2.gz CUUUPMIRCXZCKK-QWHCGFSZSA-N 1 0 312.841 2.241 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2c(C)csc2=O)c1 ZINC000182381743 648892498 /nfs/dbraw/zinc/89/24/98/648892498.db2.gz WWSXHILJQUOZQN-NSHDSACASA-N 1 0 308.403 2.283 20 10 DECDRO Fc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc1N1CCOCC1 ZINC000827596118 649055719 /nfs/dbraw/zinc/05/57/19/649055719.db2.gz UUTOCURNXROKDX-HZPDHXFCSA-N 1 0 320.408 2.131 20 10 DECDRO OCC1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000184360134 649259557 /nfs/dbraw/zinc/25/95/57/649259557.db2.gz PRGOJGMELJHAKU-UHFFFAOYSA-N 1 0 300.196 2.407 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1F ZINC000829039366 649264073 /nfs/dbraw/zinc/26/40/73/649264073.db2.gz YVFSCAMJWYZKCS-HNNXBMFYSA-N 1 0 307.413 2.416 20 10 DECDRO CC[N@H+](CCSC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000830998919 649527133 /nfs/dbraw/zinc/52/71/33/649527133.db2.gz AMPGTKUTAMXBFH-UHFFFAOYSA-N 1 0 309.479 2.054 20 10 DECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761074 649631933 /nfs/dbraw/zinc/63/19/33/649631933.db2.gz PLCFIZNMIHJKRI-NWDGAFQWSA-N 1 0 314.376 2.314 20 10 DECDRO C[C@@H]1CC[C@H](CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)O1 ZINC000832267033 649690437 /nfs/dbraw/zinc/69/04/37/649690437.db2.gz LRBADUUIMKOUGG-XYPHTWIQSA-N 1 0 319.449 2.216 20 10 DECDRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)cn1 ZINC000834602025 649822281 /nfs/dbraw/zinc/82/22/81/649822281.db2.gz HMWDMOMTYMCKCB-HOCLYGCPSA-N 1 0 312.417 2.372 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCCNc2ncccn2)c1O ZINC000846151482 651311166 /nfs/dbraw/zinc/31/11/66/651311166.db2.gz ZBJZTAAFJWLFFS-GFCCVEGCSA-N 1 0 302.378 2.344 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000846160167 651312071 /nfs/dbraw/zinc/31/20/71/651312071.db2.gz UATZVWUPNJBRHA-GDZNZVCISA-N 1 0 307.390 2.390 20 10 DECDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)CC1=O ZINC000846170641 651312893 /nfs/dbraw/zinc/31/28/93/651312893.db2.gz BLZICXUWOWYVOQ-OLZOCXBDSA-N 1 0 306.406 2.310 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000846676707 651345038 /nfs/dbraw/zinc/34/50/38/651345038.db2.gz IQDVQZWFJIQPNZ-NZVBXONLSA-N 1 0 304.390 2.109 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)CCC(C)(C)[NH3+])cc1 ZINC000846696246 651346684 /nfs/dbraw/zinc/34/66/84/651346684.db2.gz DAGYHSJBVGJGBT-UHFFFAOYSA-N 1 0 307.438 2.107 20 10 DECDRO CCN(C)C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776845 651350882 /nfs/dbraw/zinc/35/08/82/651350882.db2.gz ZILLAAXVEUMCAC-GOSISDBHSA-N 1 0 307.482 2.276 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000847400174 651394042 /nfs/dbraw/zinc/39/40/42/651394042.db2.gz ZVGCFQVLGZUQPG-OAHLLOKOSA-N 1 0 303.450 2.443 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000847409234 651394449 /nfs/dbraw/zinc/39/44/49/651394449.db2.gz LAPIKRMGSLKOBF-RWMBFGLXSA-N 1 0 321.421 2.101 20 10 DECDRO O=C(NCCCSc1nccs1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848400546 651456550 /nfs/dbraw/zinc/45/65/50/651456550.db2.gz LKCPUWXYJKIIIC-FZMZJTMJSA-N 1 0 311.476 2.131 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848410246 651456894 /nfs/dbraw/zinc/45/68/94/651456894.db2.gz DTGCUZRCTPURIV-MJGOQNOKSA-N 1 0 313.445 2.293 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1O ZINC000848561585 651470901 /nfs/dbraw/zinc/47/09/01/651470901.db2.gz ZRIFMONUIVLROH-HNNXBMFYSA-N 1 0 312.369 2.444 20 10 DECDRO CCc1cccc(C[NH+]2CCN(CCOC(C)C)CC2)c1O ZINC000848887634 651547038 /nfs/dbraw/zinc/54/70/38/651547038.db2.gz ARDKQXJEBGJOJH-UHFFFAOYSA-N 1 0 306.450 2.497 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1O ZINC000848908726 651555028 /nfs/dbraw/zinc/55/50/28/651555028.db2.gz CELITISLDGERSE-HNNXBMFYSA-N 1 0 311.447 2.354 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848919574 651561122 /nfs/dbraw/zinc/56/11/22/651561122.db2.gz NRJWENHWVAWFOI-HNNXBMFYSA-N 1 0 310.825 2.389 20 10 DECDRO COc1cccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848919520 651561269 /nfs/dbraw/zinc/56/12/69/651561269.db2.gz ZNXRJXJCZONQAX-MRXNPFEDSA-N 1 0 318.417 2.137 20 10 DECDRO COCC[N@@H+](Cc1cc(C)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848922690 651563142 /nfs/dbraw/zinc/56/31/42/651563142.db2.gz YARHAYXRVDAMHP-CYBMUJFWSA-N 1 0 307.312 2.072 20 10 DECDRO Oc1ccc(-c2ccccc2)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925712 651563415 /nfs/dbraw/zinc/56/34/15/651563415.db2.gz DOKVLTULWAYZCD-RBUKOAKNSA-N 1 0 324.424 2.310 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000848930727 651565503 /nfs/dbraw/zinc/56/55/03/651565503.db2.gz VTMDTPILDAOVPT-KRWDZBQOSA-N 1 0 304.434 2.387 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(N)s3)C2)cc1 ZINC000849350559 651655480 /nfs/dbraw/zinc/65/54/80/651655480.db2.gz QHRIUENSOXAORH-LLVKDONJSA-N 1 0 304.419 2.102 20 10 DECDRO [NH3+]C1(CNCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000849350223 651655883 /nfs/dbraw/zinc/65/58/83/651655883.db2.gz VBUKUUJRYLVTBZ-UHFFFAOYSA-N 1 0 307.413 2.023 20 10 DECDRO CNC(=O)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850091462 651824435 /nfs/dbraw/zinc/82/44/35/651824435.db2.gz UWFZVSLNHOXKPD-UHFFFAOYSA-N 1 0 308.422 2.314 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000850136736 651838834 /nfs/dbraw/zinc/83/88/34/651838834.db2.gz BKHCXORYDKDRPY-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO COC[C@H](CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000850345559 651904848 /nfs/dbraw/zinc/90/48/48/651904848.db2.gz DWJJQJOBQSILOQ-SFHVURJKSA-N 1 0 322.449 2.305 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(C)ccc3O)C2)cc1 ZINC000850345659 651904945 /nfs/dbraw/zinc/90/49/45/651904945.db2.gz HHLFXLCYXAEPIJ-AWEZNQCLSA-N 1 0 313.401 2.473 20 10 DECDRO CCC[C@@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355469 651908694 /nfs/dbraw/zinc/90/86/94/651908694.db2.gz FJCZNACKZSJRJZ-OAHLLOKOSA-N 1 0 324.490 2.447 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000850353958 651908779 /nfs/dbraw/zinc/90/87/79/651908779.db2.gz QYOZQTABVXTUHU-FRFSOERESA-N 1 0 323.433 2.447 20 10 DECDRO OC(C[NH2+]Cc1ccc(N2CCOCC2)cc1)(C1CC1)C1CC1 ZINC000850386477 651916625 /nfs/dbraw/zinc/91/66/25/651916625.db2.gz LDPCJQMXLSRHAE-UHFFFAOYSA-N 1 0 316.445 2.164 20 10 DECDRO COc1cccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1O ZINC000850400740 651920798 /nfs/dbraw/zinc/92/07/98/651920798.db2.gz MWOQATLZZMLEMU-QGZVFWFLSA-N 1 0 309.406 2.058 20 10 DECDRO CCc1nocc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406604 651923156 /nfs/dbraw/zinc/92/31/56/651923156.db2.gz MYWVQCBLMMJUKF-UHFFFAOYSA-N 1 0 315.417 2.488 20 10 DECDRO C[C@@H](O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850420942 651925842 /nfs/dbraw/zinc/92/58/42/651925842.db2.gz UQQYSCOCKBPANU-PIGZYNQJSA-N 1 0 301.342 2.333 20 10 DECDRO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850427329 651926853 /nfs/dbraw/zinc/92/68/53/651926853.db2.gz RVNWNPDCWLFWMJ-KRWDZBQOSA-N 1 0 312.417 2.344 20 10 DECDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cc(OC)ccc1O ZINC000850442411 651930040 /nfs/dbraw/zinc/93/00/40/651930040.db2.gz CWSCQVNTMUWFDV-OAHLLOKOSA-N 1 0 309.406 2.322 20 10 DECDRO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000850560110 651952382 /nfs/dbraw/zinc/95/23/82/651952382.db2.gz BRZGBOPYKREXLG-TZMCWYRMSA-N 1 0 321.396 2.472 20 10 DECDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850569086 651955124 /nfs/dbraw/zinc/95/51/24/651955124.db2.gz SVWPZBNBDNDDLT-HNNXBMFYSA-N 1 0 304.434 2.305 20 10 DECDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850571194 651955361 /nfs/dbraw/zinc/95/53/61/651955361.db2.gz OMPGVDNMZBQHFT-VUCTXSBTSA-N 1 0 308.397 2.490 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000858141744 652264181 /nfs/dbraw/zinc/26/41/81/652264181.db2.gz SAKGITRJBREOMC-PWSUYJOCSA-N 1 0 311.376 2.165 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)c1O ZINC000858435585 652336684 /nfs/dbraw/zinc/33/66/84/652336684.db2.gz MJYFECMKIPLGAK-GXFFZTMASA-N 1 0 309.797 2.472 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]2N1 ZINC000853555169 652567575 /nfs/dbraw/zinc/56/75/75/652567575.db2.gz HCIBYQFCSZVCFF-BBRMVZONSA-N 1 0 311.385 2.041 20 10 DECDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853594727 652575604 /nfs/dbraw/zinc/57/56/04/652575604.db2.gz SRLGEYIIWSMPJU-AWEZNQCLSA-N 1 0 314.429 2.325 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000853736926 652595904 /nfs/dbraw/zinc/59/59/04/652595904.db2.gz UFMYQKKOUFUSPV-CYBMUJFWSA-N 1 0 321.421 2.073 20 10 DECDRO [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230201 652661500 /nfs/dbraw/zinc/66/15/00/652661500.db2.gz JKSZIFWPJMNDNM-OALUTQOASA-N 1 0 317.477 2.397 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC2(C3CC[NH2+]CC3)CC2)cc1 ZINC001356547507 1152088475 /nfs/dbraw/zinc/08/84/75/1152088475.db2.gz FWSKZXYZZBMKPR-UHFFFAOYSA-N 1 0 316.449 2.084 20 10 DECDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305167709 685280175 /nfs/dbraw/zinc/28/01/75/685280175.db2.gz SVEVSPUIUQJAJD-DZGCQCFKSA-N 1 0 310.413 2.474 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000862254293 686266960 /nfs/dbraw/zinc/26/69/60/686266960.db2.gz XSHJEAKDURXVLW-RNCFNFMXSA-N 1 0 300.196 2.357 20 10 DECDRO CCN1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000391576236 685446295 /nfs/dbraw/zinc/44/62/95/685446295.db2.gz YPCAOCJZABGSTM-MRXNPFEDSA-N 1 0 301.434 2.387 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1C ZINC000391552779 685446535 /nfs/dbraw/zinc/44/65/35/685446535.db2.gz UNQZSUNDQAHNIV-INIZCTEOSA-N 1 0 315.417 2.360 20 10 DECDRO OCCn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000391863005 685447307 /nfs/dbraw/zinc/44/73/07/685447307.db2.gz UBNOWCGQJLKAEG-HUUCEWRRSA-N 1 0 313.401 2.236 20 10 DECDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc2ccccc2c1O ZINC000858547269 685556032 /nfs/dbraw/zinc/55/60/32/685556032.db2.gz FEPCYZRLDRJLDS-UKRRQHHQSA-N 1 0 300.402 2.263 20 10 DECDRO COc1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)cc1 ZINC000859054661 685645232 /nfs/dbraw/zinc/64/52/32/685645232.db2.gz BOTUSEFSUCHXCS-UHFFFAOYSA-N 1 0 320.433 2.013 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000092660237 684044117 /nfs/dbraw/zinc/04/41/17/684044117.db2.gz DTANZKIMOCXVHI-ZDUSSCGKSA-N 1 0 306.406 2.268 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000093383961 684049124 /nfs/dbraw/zinc/04/91/24/684049124.db2.gz DAXFEAKFAKWVAF-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO COc1ccc(N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000195229693 685091199 /nfs/dbraw/zinc/09/11/99/685091199.db2.gz VZBNQOYULVXNDV-GOSISDBHSA-N 1 0 320.433 2.360 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861701190 686171900 /nfs/dbraw/zinc/17/19/00/686171900.db2.gz OPUAKSRLCJMWTR-WMLDXEAASA-N 1 0 318.465 2.423 20 10 DECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000862383812 686287056 /nfs/dbraw/zinc/28/70/56/686287056.db2.gz DGNBPJRKTNWMQM-RISCZKNCSA-N 1 0 312.360 2.462 20 10 DECDRO C[C@@H](O)C[N@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862406049 686293943 /nfs/dbraw/zinc/29/39/43/686293943.db2.gz LIKHPXULZNVUMD-SECBINFHSA-N 1 0 300.196 2.500 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1F ZINC000862426414 686299402 /nfs/dbraw/zinc/29/94/02/686299402.db2.gz DPFWAHYRWKERES-QGZVFWFLSA-N 1 0 310.413 2.255 20 10 DECDRO COC(=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000862446938 686303817 /nfs/dbraw/zinc/30/38/17/686303817.db2.gz KIIMYQLCLVGKLA-UHFFFAOYSA-N 1 0 315.369 2.406 20 10 DECDRO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862528798 686315442 /nfs/dbraw/zinc/31/54/42/686315442.db2.gz JHJPEDJEIXNREX-PKOBYXMFSA-N 1 0 316.445 2.118 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000862551048 686321258 /nfs/dbraw/zinc/32/12/58/686321258.db2.gz JZTHZLOZQUQKGY-CYBMUJFWSA-N 1 0 324.808 2.297 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000865658437 687293061 /nfs/dbraw/zinc/29/30/61/687293061.db2.gz OFGUTVSZOBVSCW-KRWDZBQOSA-N 1 0 319.493 2.468 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC000865682067 687300349 /nfs/dbraw/zinc/30/03/49/687300349.db2.gz GCLSTXMWXGYLMC-CYBMUJFWSA-N 1 0 314.311 2.494 20 10 DECDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988724 688704796 /nfs/dbraw/zinc/70/47/96/688704796.db2.gz XUJGFGZDDDFKJU-WHCBVINPSA-N 1 0 306.406 2.102 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)c1ccc(N(C)C)cc1 ZINC000872206102 688952299 /nfs/dbraw/zinc/95/22/99/688952299.db2.gz OAOXUPGPOIIWGM-DOPJRALCSA-N 1 0 306.450 2.315 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC000872319254 688982315 /nfs/dbraw/zinc/98/23/15/688982315.db2.gz CABKWQVDNUQNGE-CALCHBBNSA-N 1 0 316.445 2.380 20 10 DECDRO CC(C)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215711 689085240 /nfs/dbraw/zinc/08/52/40/689085240.db2.gz MSULABRACCVZKU-UHFFFAOYSA-N 1 0 317.393 2.167 20 10 DECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873052204 689149155 /nfs/dbraw/zinc/14/91/55/689149155.db2.gz SISMESFYAWFTOD-YOEHRIQHSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873104623 689159121 /nfs/dbraw/zinc/15/91/21/689159121.db2.gz OMGUTJBKTUEMFV-OAHLLOKOSA-N 1 0 315.417 2.456 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1Cn1cccn1 ZINC000873112995 689160472 /nfs/dbraw/zinc/16/04/72/689160472.db2.gz MGNZUBXDSOOTCR-WBVHZDCISA-N 1 0 315.417 2.191 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1C ZINC000873135755 689167122 /nfs/dbraw/zinc/16/71/22/689167122.db2.gz NAEYMTSDRFIIFM-SFHVURJKSA-N 1 0 323.433 2.041 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000873724032 689303859 /nfs/dbraw/zinc/30/38/59/689303859.db2.gz JMFADGZZXQVCIZ-UHFFFAOYSA-N 1 0 303.366 2.015 20 10 DECDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000874002247 689339546 /nfs/dbraw/zinc/33/95/46/689339546.db2.gz XKCPAIHJTRGCKF-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874301375 689386494 /nfs/dbraw/zinc/38/64/94/689386494.db2.gz JFQKNDLPWYBFDG-ZDUSSCGKSA-N 1 0 303.366 2.015 20 10 DECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875075373 689567525 /nfs/dbraw/zinc/56/75/25/689567525.db2.gz ZDRJJWDRKVEHQU-ZDUSSCGKSA-N 1 0 303.406 2.292 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875345855 689610465 /nfs/dbraw/zinc/61/04/65/689610465.db2.gz JEPJGGJSGNAQHK-KBPBESRZSA-N 1 0 303.406 2.290 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875345857 689610585 /nfs/dbraw/zinc/61/05/85/689610585.db2.gz JEPJGGJSGNAQHK-UONOGXRCSA-N 1 0 303.406 2.290 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875710757 689679857 /nfs/dbraw/zinc/67/98/57/689679857.db2.gz QNIYHIPCQCCCAD-CYBMUJFWSA-N 1 0 303.406 2.290 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1F ZINC000876756815 689927393 /nfs/dbraw/zinc/92/73/93/689927393.db2.gz ZCAWRQAHAAHOBT-CQSZACIVSA-N 1 0 305.397 2.336 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000876926189 689974922 /nfs/dbraw/zinc/97/49/22/689974922.db2.gz ZHQIYXQRYLUAAR-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 ZINC000876986670 689991098 /nfs/dbraw/zinc/99/10/98/689991098.db2.gz IFXPCLQUVBVDJB-WMZOPIPTSA-N 1 0 304.434 2.210 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000876986851 689991347 /nfs/dbraw/zinc/99/13/47/689991347.db2.gz LXOZIOMREZOCKZ-UHFFFAOYSA-N 1 0 319.426 2.405 20 10 DECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877036461 690004203 /nfs/dbraw/zinc/00/42/03/690004203.db2.gz QWHKVSKKXSIYBL-SFHVURJKSA-N 1 0 306.450 2.288 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)[nH]1 ZINC000877036321 690004473 /nfs/dbraw/zinc/00/44/73/690004473.db2.gz NVSQXJBPWWCNTL-UHFFFAOYSA-N 1 0 304.346 2.195 20 10 DECDRO CC(C)(C[NH2+]CCCSc1nccs1)N1CCOCC1 ZINC000877061354 690010422 /nfs/dbraw/zinc/01/04/22/690010422.db2.gz FQIWQOAEYYOBCJ-UHFFFAOYSA-N 1 0 315.508 2.326 20 10 DECDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877154221 690032113 /nfs/dbraw/zinc/03/21/13/690032113.db2.gz NISXJVVJJFYGFC-INIZCTEOSA-N 1 0 317.477 2.222 20 10 DECDRO Cc1cccc(O)c1C[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000877394317 690100332 /nfs/dbraw/zinc/10/03/32/690100332.db2.gz ULVRUXZSLXEADE-UHFFFAOYSA-N 1 0 324.421 2.020 20 10 DECDRO OCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877405073 690104370 /nfs/dbraw/zinc/10/43/70/690104370.db2.gz HRMAQTUQRALXMX-UHFFFAOYSA-N 1 0 318.461 2.290 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000877463937 690120465 /nfs/dbraw/zinc/12/04/65/690120465.db2.gz KGZSXYBPICFFQH-SAABIXHNSA-N 1 0 318.461 2.383 20 10 DECDRO Cc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c(O)c1 ZINC000877483340 690127009 /nfs/dbraw/zinc/12/70/09/690127009.db2.gz MLYAWUQPJKMJIP-INIZCTEOSA-N 1 0 317.433 2.278 20 10 DECDRO OC[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877491776 690129440 /nfs/dbraw/zinc/12/94/40/690129440.db2.gz XGSGOXPNYNXATN-QGZVFWFLSA-N 1 0 318.461 2.288 20 10 DECDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519528 690139172 /nfs/dbraw/zinc/13/91/72/690139172.db2.gz KVWIJGXYUGEQDK-DOTOQJQBSA-N 1 0 318.461 2.410 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877552971 690150105 /nfs/dbraw/zinc/15/01/05/690150105.db2.gz UYGJSKYYPAERFV-GOSISDBHSA-N 1 0 304.434 2.162 20 10 DECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877560541 690151924 /nfs/dbraw/zinc/15/19/24/690151924.db2.gz UPIXODQGGBTLNG-HNNXBMFYSA-N 1 0 306.450 2.146 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000877569965 690155013 /nfs/dbraw/zinc/15/50/13/690155013.db2.gz BPYQDXLVAAJTTI-RHSMWYFYSA-N 1 0 301.390 2.444 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)nc1 ZINC000877576969 690156989 /nfs/dbraw/zinc/15/69/89/690156989.db2.gz RPYOBZJMGOGNKX-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COCC[N@@H+](Cc1ccc(C)cc1O)C[C@H](O)C(F)(F)F ZINC000877617782 690169101 /nfs/dbraw/zinc/16/91/01/690169101.db2.gz VSYDUHBOWDIDBK-ZDUSSCGKSA-N 1 0 307.312 2.072 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)cc2)CC1 ZINC000877637814 690175314 /nfs/dbraw/zinc/17/53/14/690175314.db2.gz MOXSIEGQCHQFCM-IRXDYDNUSA-N 1 0 316.445 2.116 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(C(C)(C)O)CC2)cc1OC ZINC000877754017 690216425 /nfs/dbraw/zinc/21/64/25/690216425.db2.gz QZJOBWJNBNZARQ-UHFFFAOYSA-N 1 0 309.406 2.392 20 10 DECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cccc(OCC)c2O)C1 ZINC000877828756 690244380 /nfs/dbraw/zinc/24/43/80/690244380.db2.gz KIBXOAWLJMGMPS-LBPRGKRZSA-N 1 0 307.390 2.422 20 10 DECDRO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000878358292 690387422 /nfs/dbraw/zinc/38/74/22/690387422.db2.gz NYEFJOQMJJHXOM-AWEZNQCLSA-N 1 0 313.401 2.475 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCO[C@@H]3C)CC2)c(OC)c1 ZINC000879461804 690646351 /nfs/dbraw/zinc/64/63/51/690646351.db2.gz NALRYFBOOQMEFR-CABCVRRESA-N 1 0 320.433 2.251 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)c1 ZINC000879463816 690647147 /nfs/dbraw/zinc/64/71/47/690647147.db2.gz QZMMQRIJBLFZNC-OAHLLOKOSA-N 1 0 306.406 2.005 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879650255 690699282 /nfs/dbraw/zinc/69/92/82/690699282.db2.gz RVXXLNFUDWIWKX-STQMWFEESA-N 1 0 324.421 2.319 20 10 DECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccccc1O ZINC000881440611 691098607 /nfs/dbraw/zinc/09/86/07/691098607.db2.gz IEDQPUBUIXFGDI-DYVFJYSZSA-N 1 0 320.433 2.363 20 10 DECDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000881852043 691173745 /nfs/dbraw/zinc/17/37/45/691173745.db2.gz GRUCXZPTKGFUQM-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881852210 691173902 /nfs/dbraw/zinc/17/39/02/691173902.db2.gz ZCFPKMPNWNPCJR-HNNXBMFYSA-N 1 0 315.461 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(F)CCCC3)cc2)CC1 ZINC000881852185 691174053 /nfs/dbraw/zinc/17/40/53/691174053.db2.gz IEKPQECXDNHJKE-UHFFFAOYSA-N 1 0 319.424 2.337 20 10 DECDRO CC/C=C(\C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853818 691174541 /nfs/dbraw/zinc/17/45/41/691174541.db2.gz LJWBGEILOGAPGO-PJQLUOCWSA-N 1 0 301.434 2.411 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883275208 691470488 /nfs/dbraw/zinc/47/04/88/691470488.db2.gz JVPDBSUNIORHNV-TZMCWYRMSA-N 1 0 305.374 2.496 20 10 DECDRO CC(=O)c1cc(F)cc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1O ZINC000931724309 694464445 /nfs/dbraw/zinc/46/44/45/694464445.db2.gz CRNUEYGDQQRFJH-LSDHHAIUSA-N 1 0 306.381 2.402 20 10 DECDRO OC[C@]12CCC[C@H]1[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000931747773 694470232 /nfs/dbraw/zinc/47/02/32/694470232.db2.gz VOHQLETYAPORMD-RTBURBONSA-N 1 0 316.445 2.260 20 10 DECDRO COCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001044391372 691817947 /nfs/dbraw/zinc/81/79/47/691817947.db2.gz TWSDTHGBHCQLQZ-ZBFHGGJFSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C(F)F)cc1C ZINC001044889993 691903630 /nfs/dbraw/zinc/90/36/30/691903630.db2.gz SQEBQFRQWVVWOU-ZDUSSCGKSA-N 1 0 312.360 2.349 20 10 DECDRO CC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886324683 692057059 /nfs/dbraw/zinc/05/70/59/692057059.db2.gz CJSODNUBTDWLFW-UHFFFAOYSA-N 1 0 301.434 2.278 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CNOC2)c1O ZINC000925870540 693356943 /nfs/dbraw/zinc/35/69/43/693356943.db2.gz XNVSVJPGDLZGEW-SCZZXKLOSA-N 1 0 301.184 2.017 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cn(C)cn1 ZINC000926725394 693500276 /nfs/dbraw/zinc/50/02/76/693500276.db2.gz RMHRCVSDNUOMDS-AWEZNQCLSA-N 1 0 314.433 2.232 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@H]1C ZINC001335724077 1150510218 /nfs/dbraw/zinc/51/02/18/1150510218.db2.gz FUBWBHOVBSYEHD-CZUORRHYSA-N 1 0 304.438 2.283 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001335726668 1150512514 /nfs/dbraw/zinc/51/25/14/1150512514.db2.gz VDYUDNMHBNYMKI-JKSUJKDBSA-N 1 0 316.449 2.190 20 10 DECDRO [NH3+][C@@H]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC001336064832 1150613698 /nfs/dbraw/zinc/61/36/98/1150613698.db2.gz GITXKGVEFUWQPZ-WDEREUQCSA-N 1 0 314.480 2.052 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC001346418033 1150983894 /nfs/dbraw/zinc/98/38/94/1150983894.db2.gz OUETUSILNKSCIV-IIAWOOMASA-N 1 0 318.465 2.440 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCn1cc(CO)nn1 ZINC001347341670 1151057889 /nfs/dbraw/zinc/05/78/89/1151057889.db2.gz SBJODZBMYMXMKS-GXTWGEPZSA-N 1 0 316.405 2.013 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC(CO)CC2)c(O)c1 ZINC001347665860 1151088678 /nfs/dbraw/zinc/08/86/78/1151088678.db2.gz CBNNQGWCMRIEIO-HNNXBMFYSA-N 1 0 306.450 2.364 20 10 DECDRO CN1CCCc2cc(CNC(=O)CCSCCC[NH3+])ccc21 ZINC001353517822 1151835767 /nfs/dbraw/zinc/83/57/67/1151835767.db2.gz KPDUKTHSVVWVJK-UHFFFAOYSA-N 1 0 321.490 2.157 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c1 ZINC001347213174 1151048593 /nfs/dbraw/zinc/04/85/93/1151048593.db2.gz VJLYNHOSEVDDCF-UHFFFAOYSA-N 1 0 300.358 2.132 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3cccc(Cl)c3O)[C@@H]2C1 ZINC001348312892 1151143823 /nfs/dbraw/zinc/14/38/23/1151143823.db2.gz YPGVNIVRTBMJMA-SCRDCRAPSA-N 1 0 323.824 2.185 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001233106633 782214061 /nfs/dbraw/zinc/21/40/61/782214061.db2.gz KAOBMZHTVFGZOT-RYUDHWBXSA-N 1 0 318.186 2.368 20 10 DECDRO COc1cc(C[NH2+]CCOCCCO)c(O)c(C(C)(C)C)c1 ZINC001333308811 1150030549 /nfs/dbraw/zinc/03/05/49/1150030549.db2.gz ZQBFYBLEKXCYGK-UHFFFAOYSA-N 1 0 311.422 2.187 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCOC(C)C)cc1C ZINC001123853361 783133710 /nfs/dbraw/zinc/13/37/10/783133710.db2.gz SGTVIQVLGLEPKV-UHFFFAOYSA-N 1 0 308.422 2.025 20 10 DECDRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000694553050 777876215 /nfs/dbraw/zinc/87/62/15/777876215.db2.gz CSDWTIJZAJCMLE-LBPRGKRZSA-N 1 0 303.811 2.103 20 10 DECDRO CN(C)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC001140921435 778016141 /nfs/dbraw/zinc/01/61/41/778016141.db2.gz CUSPPHXFAHABHH-OAHLLOKOSA-N 1 0 311.857 2.168 20 10 DECDRO CCNC(=O)OC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527098 780794825 /nfs/dbraw/zinc/79/48/25/780794825.db2.gz KNTDITQWKREMSZ-UHFFFAOYSA-N 1 0 314.332 2.381 20 10 DECDRO Oc1ccc(Br)cc1CNc1cc2c(nn1)C[NH2+]C2 ZINC001171173911 790890068 /nfs/dbraw/zinc/89/00/68/790890068.db2.gz CHIRSCNVHMQDQR-UHFFFAOYSA-N 1 0 321.178 2.160 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001144499881 790933950 /nfs/dbraw/zinc/93/39/50/790933950.db2.gz NLBSDIVVNUOPRU-GMSGAONNSA-N 1 0 309.259 2.383 20 10 DECDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1C ZINC001144520160 790939086 /nfs/dbraw/zinc/93/90/86/790939086.db2.gz HYCZKUORJVNAMH-VXGBXAGGSA-N 1 0 323.389 2.215 20 10 DECDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515844 790943895 /nfs/dbraw/zinc/94/38/95/790943895.db2.gz GUDHLVILBWUQAQ-ZDUSSCGKSA-N 1 0 316.357 2.160 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)SC)cc1C ZINC001154924632 783768192 /nfs/dbraw/zinc/76/81/92/783768192.db2.gz ULSMIAGCXXSMNM-CYBMUJFWSA-N 1 0 310.463 2.351 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC000966950997 783838633 /nfs/dbraw/zinc/83/86/33/783838633.db2.gz XDASSGBIXMLSEI-OAHLLOKOSA-N 1 0 313.401 2.336 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169009955 785002395 /nfs/dbraw/zinc/00/23/95/785002395.db2.gz YVZSGZXDPDQQCM-GOEBONIOSA-N 1 0 319.405 2.263 20 10 DECDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169039891 785014756 /nfs/dbraw/zinc/01/47/56/785014756.db2.gz VKFBVWFIOPFHQA-FZMZJTMJSA-N 1 0 306.362 2.291 20 10 DECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169081603 785036510 /nfs/dbraw/zinc/03/65/10/785036510.db2.gz UHDPOGLCPRIYCJ-GGPHIMKMSA-N 1 0 315.461 2.238 20 10 DECDRO O=C(CNc1ccc([C@@H]2CCC[NH2+]2)cn1)c1ccc(O)c(O)c1 ZINC001170316835 786906181 /nfs/dbraw/zinc/90/61/81/786906181.db2.gz QMOZYENGQVBGDE-ZDUSSCGKSA-N 1 0 313.357 2.212 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001135955745 789574496 /nfs/dbraw/zinc/57/44/96/789574496.db2.gz KAHZCKXWODWLJV-SFHVURJKSA-N 1 0 320.433 2.026 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001136147079 789647560 /nfs/dbraw/zinc/64/75/60/789647560.db2.gz QKMHPJBTAGXXEA-OAHLLOKOSA-N 1 0 320.433 2.267 20 10 DECDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)CO2 ZINC001173158027 793611905 /nfs/dbraw/zinc/61/19/05/793611905.db2.gz ZTNJUKQGHSPXOX-GFCCVEGCSA-N 1 0 301.342 2.200 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2N(C)C)cc1OC ZINC001116487685 794959029 /nfs/dbraw/zinc/95/90/29/794959029.db2.gz IUANCVAKFPOBBD-KGLIPLIRSA-N 1 0 308.422 2.372 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001116502051 794961762 /nfs/dbraw/zinc/96/17/62/794961762.db2.gz LPYFDOPWWXZPRV-JSPBLOFBSA-N 1 0 304.390 2.100 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001118338224 795178383 /nfs/dbraw/zinc/17/83/83/795178383.db2.gz POYRPAXGAYJRRD-DLBZAZTESA-N 1 0 319.449 2.107 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001119249116 795279528 /nfs/dbraw/zinc/27/95/28/795279528.db2.gz XJRDQMZCAMCKFQ-UHFFFAOYSA-N 1 0 317.433 2.176 20 10 DECDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)cccc2Br)C1 ZINC001206423714 795331990 /nfs/dbraw/zinc/33/19/90/795331990.db2.gz LOMUKPKWBSKEEZ-RKDXNWHRSA-N 1 0 303.175 2.026 20 10 DECDRO Cc1cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)cc1Br ZINC001206454397 795481804 /nfs/dbraw/zinc/48/18/04/795481804.db2.gz DPVXIINBNYKURL-GHMZBOCLSA-N 1 0 317.202 2.334 20 10 DECDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(N)cc2)CC1 ZINC001120592212 795493908 /nfs/dbraw/zinc/49/39/08/795493908.db2.gz SGOMQAXJPKEZNF-UHFFFAOYSA-N 1 0 302.422 2.039 20 10 DECDRO O=C(CCc1ccc(O)c(O)c1)NCCC[NH2+]C1CCCCC1 ZINC001182155723 795615045 /nfs/dbraw/zinc/61/50/45/795615045.db2.gz NVWCXDPHMVJEJA-UHFFFAOYSA-N 1 0 320.433 2.459 20 10 DECDRO COc1cc(CN2CC3(C2)CC(F)(F)CS3)cc(O)c1O ZINC001204345064 795702990 /nfs/dbraw/zinc/70/29/90/795702990.db2.gz GOKJMBQFVYNVCE-UHFFFAOYSA-N 1 0 317.357 2.433 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206536081 795735864 /nfs/dbraw/zinc/73/58/64/795735864.db2.gz XZGCQMSFSWBEOO-NHYWBVRUSA-N 1 0 312.841 2.095 20 10 DECDRO CCCCOCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125071859 796101961 /nfs/dbraw/zinc/10/19/61/796101961.db2.gz FGGVOKPAYAGNQE-UHFFFAOYSA-N 1 0 308.422 2.026 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c2ccccc2n1C ZINC001138252599 796188528 /nfs/dbraw/zinc/18/85/28/796188528.db2.gz MXZCFPWJKXEFQS-ZWKOTPCHSA-N 1 0 302.418 2.052 20 10 DECDRO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c2ccccc2n1C ZINC001138259776 796189520 /nfs/dbraw/zinc/18/95/20/796189520.db2.gz NSJMRBGMLQTSBA-MRXNPFEDSA-N 1 0 324.428 2.450 20 10 DECDRO Oc1c(C[N@H+]2CCC[C@@H](O)C2)cc2c3c1CCCN3CCC2 ZINC001138336299 796199344 /nfs/dbraw/zinc/19/93/44/796199344.db2.gz OEZVSJVJGXGETL-OAHLLOKOSA-N 1 0 302.418 2.048 20 10 DECDRO COC(=O)[C@]1(F)CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354444 796204040 /nfs/dbraw/zinc/20/40/40/796204040.db2.gz KEFOWVRHBUYQDL-KRWDZBQOSA-N 1 0 306.381 2.156 20 10 DECDRO CCN(CC)c1ccc(CN2CCCC[C@H]2C(N)=O)c(OC)c1 ZINC001138388898 796210082 /nfs/dbraw/zinc/21/00/82/796210082.db2.gz IHEHFPSBWZHIRW-INIZCTEOSA-N 1 0 319.449 2.381 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001138498760 796226882 /nfs/dbraw/zinc/22/68/82/796226882.db2.gz CVQFOISUVGKUET-SEXKYXSUSA-N 1 0 314.429 2.132 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001138499591 796226913 /nfs/dbraw/zinc/22/69/13/796226913.db2.gz UHCNTOJDJHFTJY-SJLPKXTDSA-N 1 0 302.418 2.134 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)C[C@H]3CF)cc2)CC1 ZINC001139407911 796372562 /nfs/dbraw/zinc/37/25/62/796372562.db2.gz GEBCSKIDUWMVNF-RDJZCZTQSA-N 1 0 309.404 2.320 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCO4)C3)cc2)CC1 ZINC001139412443 796373054 /nfs/dbraw/zinc/37/30/54/796373054.db2.gz LKUDETZEEAWVKC-LJQANCHMSA-N 1 0 315.461 2.193 20 10 DECDRO O=C(NCC1CC1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001186638341 796429416 /nfs/dbraw/zinc/42/94/16/796429416.db2.gz CWQVEBUZAAZQHT-UHFFFAOYSA-N 1 0 303.406 2.066 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001140054076 796470850 /nfs/dbraw/zinc/47/08/50/796470850.db2.gz JDRRZCRGOIAXMW-QGZVFWFLSA-N 1 0 314.364 2.176 20 10 DECDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1O ZINC001140180624 796487577 /nfs/dbraw/zinc/48/75/77/796487577.db2.gz ZUPIQNNAWFIGJR-ZSHCYNCHSA-N 1 0 302.418 2.211 20 10 DECDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140283427 796501630 /nfs/dbraw/zinc/50/16/30/796501630.db2.gz UMOTUAXGHDWOLQ-DOTOQJQBSA-N 1 0 318.461 2.241 20 10 DECDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@H]21 ZINC001140342596 796510973 /nfs/dbraw/zinc/51/09/73/796510973.db2.gz QJFSTPIQYAQJMH-BXUZGUMPSA-N 1 0 308.809 2.488 20 10 DECDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140619621 796546680 /nfs/dbraw/zinc/54/66/80/796546680.db2.gz IVXYMDLWSLFVFV-SJLPKXTDSA-N 1 0 319.401 2.245 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001140620382 796547170 /nfs/dbraw/zinc/54/71/70/796547170.db2.gz MEDVJMNZAQENBJ-LZLYRXPVSA-N 1 0 303.402 2.326 20 10 DECDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140661518 796552712 /nfs/dbraw/zinc/55/27/12/796552712.db2.gz HPJKHGKFEKKTKO-KRWDZBQOSA-N 1 0 321.440 2.188 20 10 DECDRO CCN(CC)c1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001140855464 796584627 /nfs/dbraw/zinc/58/46/27/796584627.db2.gz ADKGOVKZXXLXDD-QGZVFWFLSA-N 1 0 321.465 2.001 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(OC)c1 ZINC001141030685 796621331 /nfs/dbraw/zinc/62/13/31/796621331.db2.gz GPOAGOLQKQULNS-QGZVFWFLSA-N 1 0 321.373 2.081 20 10 DECDRO COc1cc(O)c(CN2CCC([NH+]3CCC3)CC2)c(OC)c1 ZINC001141032384 796621442 /nfs/dbraw/zinc/62/14/42/796621442.db2.gz AEHLIPGVHDUNQD-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1C ZINC001141144021 796638932 /nfs/dbraw/zinc/63/89/32/796638932.db2.gz SREACOWILUAFSX-ZFWWWQNUSA-N 1 0 318.417 2.289 20 10 DECDRO CN(CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCN2C ZINC001141142913 796639147 /nfs/dbraw/zinc/63/91/47/796639147.db2.gz GGEQFRYHYULNRT-UHFFFAOYSA-N 1 0 303.450 2.433 20 10 DECDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@@]1(O)C(F)(F)F ZINC001141156651 796642435 /nfs/dbraw/zinc/64/24/35/796642435.db2.gz PSGCYIRTKHPKJZ-ZANVPECISA-N 1 0 305.296 2.233 20 10 DECDRO CC(C)=CC[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037179 797273753 /nfs/dbraw/zinc/27/37/53/797273753.db2.gz FMFHRRLBHNYYRR-UHFFFAOYSA-N 1 0 303.366 2.135 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccnc2)cc1C ZINC001154179912 797480091 /nfs/dbraw/zinc/48/00/91/797480091.db2.gz VJOPFVHOKQIFLB-UHFFFAOYSA-N 1 0 313.401 2.308 20 10 DECDRO CC[NH+](CC)CCCNC(=S)NCc1ccc(N(C)C)cc1 ZINC001196703335 798093644 /nfs/dbraw/zinc/09/36/44/798093644.db2.gz OXXDDFTWMCQJJM-UHFFFAOYSA-N 1 0 322.522 2.449 20 10 DECDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157209856 798163318 /nfs/dbraw/zinc/16/33/18/798163318.db2.gz NMWVYUWBJOWQQX-LLVKDONJSA-N 1 0 305.382 2.309 20 10 DECDRO Oc1ccc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)cc1O ZINC001203875527 798178666 /nfs/dbraw/zinc/17/86/66/798178666.db2.gz PDKSKIFHIZSKNM-UHFFFAOYSA-N 1 0 317.364 2.344 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001161134519 798800324 /nfs/dbraw/zinc/80/03/24/798800324.db2.gz AZUZOKCBIBVPIO-HOTGVXAUSA-N 1 0 307.413 2.049 20 10 DECDRO [NH3+]Cc1nccnc1NCc1cccc(Br)c1O ZINC001163217553 799279599 /nfs/dbraw/zinc/27/95/99/799279599.db2.gz OWEZYCODCWRAOR-UHFFFAOYSA-N 1 0 309.167 2.016 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)c1O ZINC000886360468 799396013 /nfs/dbraw/zinc/39/60/13/799396013.db2.gz WPIXKEJLWMNUGH-LSDHHAIUSA-N 1 0 309.406 2.322 20 10 DECDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1ccccn1 ZINC001203556911 800078207 /nfs/dbraw/zinc/07/82/07/800078207.db2.gz WWGBMTVAXZEFPK-LJQANCHMSA-N 1 0 323.396 2.416 20 10 DECDRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2O)N1Cc1cccnc1 ZINC001203551907 800078836 /nfs/dbraw/zinc/07/88/36/800078836.db2.gz SIRPMZIWQKZOJE-DLBZAZTESA-N 1 0 323.396 2.163 20 10 DECDRO COc1cccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c1O ZINC001203590237 800085294 /nfs/dbraw/zinc/08/52/94/800085294.db2.gz VDCGPMVZAXKILM-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO COc1cccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1O ZINC001203597318 800086796 /nfs/dbraw/zinc/08/67/96/800086796.db2.gz ZUXCJBLSQPOKHU-UHFFFAOYSA-N 1 0 312.360 2.316 20 10 DECDRO COc1ccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c(O)c1 ZINC001203622292 800091851 /nfs/dbraw/zinc/09/18/51/800091851.db2.gz XDTPQDBMIBZIBO-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001203635615 800096837 /nfs/dbraw/zinc/09/68/37/800096837.db2.gz BDTSUWIAFDQVLH-AAEUAGOBSA-N 1 0 318.186 2.450 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(C)n3)CC2)c1 ZINC001203665412 800101931 /nfs/dbraw/zinc/10/19/31/800101931.db2.gz IYIZUYNCVICUCK-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C)cn3)CC2)c1 ZINC001203677975 800104427 /nfs/dbraw/zinc/10/44/27/800104427.db2.gz CZCXNPGCONFLFQ-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001203937165 800149205 /nfs/dbraw/zinc/14/92/05/800149205.db2.gz OIULEORPQKSMSY-MRXNPFEDSA-N 1 0 301.434 2.243 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329275 800205283 /nfs/dbraw/zinc/20/52/83/800205283.db2.gz JQLKRPBGQYFFDK-INIZCTEOSA-N 1 0 316.449 2.180 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204329173 800205519 /nfs/dbraw/zinc/20/55/19/800205519.db2.gz ZUJXQLMKARHYOU-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO COc1cc(O)c(CN2CC[C@](C)([NH3+])C2)cc1Br ZINC001204791369 800257871 /nfs/dbraw/zinc/25/78/71/800257871.db2.gz PUMJYWLNGPDOHK-ZDUSSCGKSA-N 1 0 315.211 2.086 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])C3(CC3)C2)c(OC)c1 ZINC001204903705 800272643 /nfs/dbraw/zinc/27/26/43/800272643.db2.gz BULGURCRWQUGGE-QGZVFWFLSA-N 1 0 303.450 2.465 20 10 DECDRO [NH3+]C[C@@]1(O)CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205725255 800408698 /nfs/dbraw/zinc/40/86/98/800408698.db2.gz FPIRKRRKEMEWMN-AWEZNQCLSA-N 1 0 319.232 2.375 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCN(C)C3)C2)cc1 ZINC001206384130 800522341 /nfs/dbraw/zinc/52/23/41/800522341.db2.gz CDIWAQAWXJUFMZ-JKSUJKDBSA-N 1 0 303.450 2.205 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001209517045 801205776 /nfs/dbraw/zinc/20/57/76/801205776.db2.gz XAQMLSZEZCIJBD-IEBWSBKVSA-N 1 0 314.429 2.269 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001209516643 801206106 /nfs/dbraw/zinc/20/61/06/801206106.db2.gz KXKDMYQMWCAVQN-HKUYNNGSSA-N 1 0 314.429 2.269 20 10 DECDRO c1cc(Nc2ccc3c(c2)OCCN3)cc(N2CCOCC2)[nH+]1 ZINC001209713516 801261907 /nfs/dbraw/zinc/26/19/07/801261907.db2.gz BNBNOCKUKCYEFP-UHFFFAOYSA-N 1 0 312.373 2.466 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1O ZINC001231591830 801690777 /nfs/dbraw/zinc/69/07/77/801690777.db2.gz IAVFTJCXCJLCQM-GOSISDBHSA-N 1 0 310.401 2.345 20 10 DECDRO Cc1cccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c1O ZINC001231593198 801692148 /nfs/dbraw/zinc/69/21/48/801692148.db2.gz SKOZLSHPPZYZIQ-UHFFFAOYSA-N 1 0 303.406 2.331 20 10 DECDRO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)cc1O ZINC001231633530 801700195 /nfs/dbraw/zinc/70/01/95/801700195.db2.gz YUMPZZHJTJFUJB-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)cc1O ZINC001231636305 801700294 /nfs/dbraw/zinc/70/02/94/801700294.db2.gz SEPBNXUUQPXJSX-ZDUSSCGKSA-N 1 0 301.346 2.234 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC001231851605 801736658 /nfs/dbraw/zinc/73/66/58/801736658.db2.gz KHEPTNGZMQAJIE-UHFFFAOYSA-N 1 0 306.406 2.100 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001231849273 801737663 /nfs/dbraw/zinc/73/76/63/801737663.db2.gz QRVRBKBSOVYHLN-QGZVFWFLSA-N 1 0 310.413 2.448 20 10 DECDRO CC[N@H+](CCn1cccn1)Cc1ccc(N(C)C)cc1OC ZINC001231854159 801738530 /nfs/dbraw/zinc/73/85/30/801738530.db2.gz AIYQOMNGVSKJON-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1Cl ZINC001232262307 801831228 /nfs/dbraw/zinc/83/12/28/801831228.db2.gz BPBYQIZUZLKGCK-NSHDSACASA-N 1 0 308.769 2.180 20 10 DECDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)O1 ZINC001232263341 801832758 /nfs/dbraw/zinc/83/27/58/801832758.db2.gz NFCATSJQCBYHMI-OAHLLOKOSA-N 1 0 311.765 2.423 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268400 801834266 /nfs/dbraw/zinc/83/42/66/801834266.db2.gz OZXBEBUNDCYTBK-MWLCHTKSSA-N 1 0 313.781 2.382 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](CO)C2)c2ccccc2n1C ZINC001232401539 801871044 /nfs/dbraw/zinc/87/10/44/801871044.db2.gz MURXPFOLFKSCOG-ZDUSSCGKSA-N 1 0 316.401 2.169 20 10 DECDRO COC(=O)c1c(CN2CC(C)([NH+](C)C)C2)c2ccccc2n1C ZINC001232405213 801872570 /nfs/dbraw/zinc/87/25/70/801872570.db2.gz IHYARFDEMSAJRD-UHFFFAOYSA-N 1 0 315.417 2.101 20 10 DECDRO Oc1cc2c(cc1O)C[N@H+](Cc1c[nH]c3nccnc13)CCC2 ZINC001232548739 801916022 /nfs/dbraw/zinc/91/60/22/801916022.db2.gz FMFZZZJCLBAGSQ-UHFFFAOYSA-N 1 0 310.357 2.269 20 10 DECDRO COC(C[N@H+](C)Cc1c([O-])cc(Br)cc1F)OC ZINC001233031245 802008930 /nfs/dbraw/zinc/00/89/30/802008930.db2.gz AEAOZPIWVNUKEU-UHFFFAOYSA-N 1 0 322.174 2.345 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCCO1 ZINC001233287066 802064376 /nfs/dbraw/zinc/06/43/76/802064376.db2.gz VJMJKFUCLSJSSR-INIZCTEOSA-N 1 0 321.417 2.454 20 10 DECDRO COCCN(Cc1c(O)ccc(F)c1F)C1CC[NH+](C)CC1 ZINC001233334894 802079300 /nfs/dbraw/zinc/07/93/00/802079300.db2.gz YNBUHSDCPACSAE-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)CC[C@@H]21 ZINC001233336373 802080610 /nfs/dbraw/zinc/08/06/10/802080610.db2.gz JPAIWHSFHYAHMC-MFKMUULPSA-N 1 0 310.344 2.113 20 10 DECDRO CC(C)N1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1=O ZINC001233455068 802120893 /nfs/dbraw/zinc/12/08/93/802120893.db2.gz UUFKCXCELZAGRB-UHFFFAOYSA-N 1 0 316.323 2.464 20 10 DECDRO Cc1ccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233482258 802125576 /nfs/dbraw/zinc/12/55/76/802125576.db2.gz GWBXVTSXQKOLLL-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218038529 802135842 /nfs/dbraw/zinc/13/58/42/802135842.db2.gz LORGLRJFTWXJIE-LLVKDONJSA-N 1 0 323.348 2.217 20 10 DECDRO C[C@H](Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C1C[NH2+]C1 ZINC001218194178 802154228 /nfs/dbraw/zinc/15/42/28/802154228.db2.gz LEPDERGIWMWQFO-JTQLQIEISA-N 1 0 323.348 2.154 20 10 DECDRO Oc1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cccc1OC(F)(F)F ZINC001233737173 802193805 /nfs/dbraw/zinc/19/38/05/802193805.db2.gz YSPNBZODVUXJIZ-PHIMTYICSA-N 1 0 303.280 2.369 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CCC2CC[NH2+]CC2)cc1 ZINC000315358116 802466654 /nfs/dbraw/zinc/46/66/54/802466654.db2.gz AYAQJAXQDVFBLH-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cc(O)c(CN2CCC[C@]23CCC[NH2+]C3)c(OC)c1 ZINC001222247616 802660700 /nfs/dbraw/zinc/66/07/00/802660700.db2.gz GOUYSSIOKAIYKD-KRWDZBQOSA-N 1 0 306.406 2.127 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001331550043 1149527131 /nfs/dbraw/zinc/52/71/31/1149527131.db2.gz SQKOMEOZYHHMGD-HNNXBMFYSA-N 1 0 323.433 2.224 20 10 DECDRO CC1(C)CC(NC(=O)NCc2ccc(N)cc2)CC(C)(C)[NH2+]1 ZINC001335675328 1150497685 /nfs/dbraw/zinc/49/76/85/1150497685.db2.gz CBYZAYWSOGZQCK-UHFFFAOYSA-N 1 0 304.438 2.377 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2F)CC1 ZINC001343158902 1150700269 /nfs/dbraw/zinc/70/02/69/1150700269.db2.gz AJUKMNBJKZOFDD-INIZCTEOSA-N 1 0 319.424 2.360 20 10 DECDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327254976 1148405577 /nfs/dbraw/zinc/40/55/77/1148405577.db2.gz PWIKOHYYVHGMGH-INIZCTEOSA-N 1 0 323.456 2.074 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001350666301 962565867 /nfs/dbraw/zinc/56/58/67/962565867.db2.gz HDNXXFOUUPRBMV-UHFFFAOYSA-N 1 0 319.449 2.171 20 10 DECDRO CC(C)C[NH2+]CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001328525011 1148806490 /nfs/dbraw/zinc/80/64/90/1148806490.db2.gz OHBHPHJSWMVHPW-INIZCTEOSA-N 1 0 320.433 2.145 20 10 DECDRO Cn1cc(/C=C\C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC001525905131 1070187325 /nfs/dbraw/zinc/18/73/25/1070187325.db2.gz CAXQXWBOPAIAPZ-XZVRFQMRSA-N 1 0 322.412 2.445 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3nn[nH]n3)cs2)c1 ZINC001605876016 1070960401 /nfs/dbraw/zinc/96/04/01/1070960401.db2.gz ZGBNUMAGZMVZRG-VIFPVBQESA-N 1 0 316.390 2.188 20 10 DECDRO Cc1c[nH]c(=O)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC001461810006 1058713971 /nfs/dbraw/zinc/71/39/71/1058713971.db2.gz ZSBDKFCNDDJTNP-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(CCC(N)=O)CC2)c(O)c1 ZINC001461937816 1058740614 /nfs/dbraw/zinc/74/06/14/1058740614.db2.gz UMUJCRUQTITRRX-UHFFFAOYSA-N 1 0 306.406 2.187 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1OC ZINC001462345024 1058806577 /nfs/dbraw/zinc/80/65/77/1058806577.db2.gz XCLCJDLQNXWTFW-QWHCGFSZSA-N 1 0 307.390 2.266 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)N2CCOCC2)c(O)c1 ZINC001462372806 1058812397 /nfs/dbraw/zinc/81/23/97/1058812397.db2.gz PPTMLILMFNSISF-INIZCTEOSA-N 1 0 320.433 2.064 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001474325265 1060852389 /nfs/dbraw/zinc/85/23/89/1060852389.db2.gz WMUVYWVPYAFVIV-ZDUSSCGKSA-N 1 0 310.825 2.200 20 10 DECDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474391719 1060861899 /nfs/dbraw/zinc/86/18/99/1060861899.db2.gz LUUAASDGXRKZEN-GFCCVEGCSA-N 1 0 303.811 2.103 20 10 DECDRO CC(C)n1cc(C[NH2+]Cc2ccc(Cl)cc2O)c(=O)[nH]c1=O ZINC001474681470 1060916695 /nfs/dbraw/zinc/91/66/95/1060916695.db2.gz HTDYBBSKDBFYJB-UHFFFAOYSA-N 1 0 323.780 2.179 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCF)C2)cc1C ZINC001480219197 1062480948 /nfs/dbraw/zinc/48/09/48/1062480948.db2.gz WNUYYAJXFDNHJN-GASCZTMLSA-N 1 0 308.397 2.490 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnco2)cc1C ZINC001480780525 1063335632 /nfs/dbraw/zinc/33/56/32/1063335632.db2.gz HMRUOAXEILOGSM-ZDUSSCGKSA-N 1 0 317.389 2.290 20 10 DECDRO CC[C@@H](CNC(=O)[C@H](C)OC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567952290 1064557229 /nfs/dbraw/zinc/55/72/29/1064557229.db2.gz WCBUEKUELQQXSF-ZFWWWQNUSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC2(F)F)cc1C ZINC001569056430 1065261293 /nfs/dbraw/zinc/26/12/93/1065261293.db2.gz XRTXEQUNJJEEPM-WCQYABFASA-N 1 0 312.360 2.253 20 10 DECDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cocn1 ZINC001497359168 1066047492 /nfs/dbraw/zinc/04/74/92/1066047492.db2.gz SIKACJLYVFIUMK-UHFFFAOYSA-N 1 0 317.389 2.244 20 10 DECDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(O)c1O ZINC001629508732 1078319610 /nfs/dbraw/zinc/31/96/10/1078319610.db2.gz LKABBWBOCUKFCC-UHFFFAOYSA-N 1 0 316.357 2.420 20 10 DECDRO C[C@@H](NC(=O)C1([C@H](C)[NH3+])CCOCC1)c1ccc(N(C)C)cc1 ZINC001576183240 1066512999 /nfs/dbraw/zinc/51/29/99/1066512999.db2.gz ZOPOGYMYGJJYNT-KGLIPLIRSA-N 1 0 319.449 2.074 20 10 DECDRO CCCC[C@@H]([NH3+])C(=O)NCc1cccc(Br)c1O ZINC001577410399 1066834825 /nfs/dbraw/zinc/83/48/25/1066834825.db2.gz DCDZDZHVNOUETH-LLVKDONJSA-N 1 0 315.211 2.288 20 10 DECDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001636001541 1078464717 /nfs/dbraw/zinc/46/47/17/1078464717.db2.gz RQBOBZHPBGBCSY-LLVKDONJSA-N 1 0 305.382 2.308 20 10 DECDRO COC(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)n1C ZINC001578863582 1067184190 /nfs/dbraw/zinc/18/41/90/1067184190.db2.gz DVOLUUOPZIDUQS-UHFFFAOYSA-N 1 0 313.401 2.223 20 10 DECDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001266996053 1078488083 /nfs/dbraw/zinc/48/80/83/1078488083.db2.gz MDEFSCJRNKLANB-NSHDSACASA-N 1 0 317.393 2.357 20 10 DECDRO COc1ccc(N2CCC(N[C@@H](CC[NH3+])C(F)F)CC2)cc1 ZINC001579224384 1067264326 /nfs/dbraw/zinc/26/43/26/1067264326.db2.gz HKRKPZURQPNGFT-HNNXBMFYSA-N 1 0 313.392 2.236 20 10 DECDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001580258527 1067545309 /nfs/dbraw/zinc/54/53/09/1067545309.db2.gz SSNHIPYFPATUAZ-SCZZXKLOSA-N 1 0 306.387 2.170 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC001573719934 1069080934 /nfs/dbraw/zinc/08/09/34/1069080934.db2.gz QPNCDYIMVAYJMY-CVEARBPZSA-N 1 0 318.465 2.425 20 10 DECDRO Cc1c(C)n(C)c2ccc(OS(=O)(=O)C[C@H]3CCC[NH2+]3)cc12 ZINC001574120318 1069157080 /nfs/dbraw/zinc/15/70/80/1069157080.db2.gz FZHRFBMCYWRVJE-CYBMUJFWSA-N 1 0 322.430 2.256 20 10 DECDRO Cc1cc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC001574135554 1069162263 /nfs/dbraw/zinc/16/22/63/1069162263.db2.gz VATWANIQGOUMOR-GOSISDBHSA-N 1 0 315.392 2.412 20 10 DECDRO Cc1c(O)ccc(C[N@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c1O ZINC001272659972 1079067104 /nfs/dbraw/zinc/06/71/04/1079067104.db2.gz IGOSDRWFXORSGN-SFHVURJKSA-N 1 0 318.417 2.241 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCC1CC1 ZINC001560306622 1075136236 /nfs/dbraw/zinc/13/62/36/1075136236.db2.gz RRCDNQOELACUPX-SFHVURJKSA-N 1 0 304.434 2.164 20 10 DECDRO CCOCc1cc(C[NH2+]CC(C)(C)C(=O)NC)ccc1OC ZINC001560405106 1075139805 /nfs/dbraw/zinc/13/98/05/1075139805.db2.gz XVBAMWRVEVYYCD-UHFFFAOYSA-N 1 0 308.422 2.094 20 10 DECDRO COC(=O)[C@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCOC1 ZINC001561054117 1075150646 /nfs/dbraw/zinc/15/06/46/1075150646.db2.gz VBYUYSIRKWJGLJ-HNNXBMFYSA-N 1 0 313.781 2.023 20 10 DECDRO COc1cccc(CNC(=O)C2CC[NH+](CC(C)C)CC2)c1O ZINC001566374812 1075241923 /nfs/dbraw/zinc/24/19/23/1075241923.db2.gz VHINGQTTZKNTBK-UHFFFAOYSA-N 1 0 320.433 2.385 20 10 DECDRO [NH3+]Cc1cccnc1NC(=O)NCc1cc(Cl)ccc1O ZINC001580347057 1075908517 /nfs/dbraw/zinc/90/85/17/1075908517.db2.gz IOKZMGLYOIHXET-UHFFFAOYSA-N 1 0 306.753 2.221 20 10 DECDRO CCOC(OCC)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001653287782 1079924523 /nfs/dbraw/zinc/92/45/23/1079924523.db2.gz GZENTCMCGNUGRV-NSHDSACASA-N 1 0 313.394 2.287 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCO[C@@H](C)C2)cc1 ZINC001655566401 1080004970 /nfs/dbraw/zinc/00/49/70/1080004970.db2.gz XYJQZLRJCIBYRI-INIZCTEOSA-N 1 0 305.466 2.343 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H](C)O ZINC001655688262 1080011725 /nfs/dbraw/zinc/01/17/25/1080011725.db2.gz WEWJCHSYKLYQQY-CABCVRRESA-N 1 0 323.456 2.074 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC001655709903 1080013100 /nfs/dbraw/zinc/01/31/00/1080013100.db2.gz ZMRXPVAQOCOCAB-INIZCTEOSA-N 1 0 303.450 2.443 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)C2CCS(=O)CC2)c1O ZINC001657358544 1080171364 /nfs/dbraw/zinc/17/13/64/1080171364.db2.gz FEMMFEKPOMDJQA-UHFFFAOYSA-N 1 0 317.838 2.397 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC001658992290 1080225390 /nfs/dbraw/zinc/22/53/90/1080225390.db2.gz DRRJXFDCOTZDFC-UHFFFAOYSA-N 1 0 321.398 2.094 20 10 DECDRO O=C1N[C@H](C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)CO1 ZINC001660806796 1080399955 /nfs/dbraw/zinc/39/99/55/1080399955.db2.gz MYQXTDJGCRSIHR-ZDUSSCGKSA-N 1 0 310.781 2.366 20 10 DECDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001660897998 1080413902 /nfs/dbraw/zinc/41/39/02/1080413902.db2.gz HQGSCRHNXLXPLC-CQSZACIVSA-N 1 0 309.797 2.219 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cncc(C)c2)cc1C ZINC001125202962 1080596188 /nfs/dbraw/zinc/59/61/88/1080596188.db2.gz GHERCLGAOKWKKD-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3cnsc3)cc2)CC1 ZINC001662940943 1080679033 /nfs/dbraw/zinc/67/90/33/1080679033.db2.gz GKVJKBNSTKNGOX-UHFFFAOYSA-N 1 0 303.431 2.394 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)c3ccon3)CC2)cc1C ZINC001269379233 1081233746 /nfs/dbraw/zinc/23/37/46/1081233746.db2.gz FBPMDBCMEQUCIK-UHFFFAOYSA-N 1 0 315.373 2.044 20 10 DECDRO CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482263095 1081443626 /nfs/dbraw/zinc/44/36/26/1081443626.db2.gz VGBRFXCUVAGFCF-HUUCEWRRSA-N 1 0 322.449 2.365 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ncoc2C)cc1C ZINC001669520827 1081455631 /nfs/dbraw/zinc/45/56/31/1081455631.db2.gz NGLDDUFNQDVUOT-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCO2)cc1C ZINC001670008561 1081489533 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20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235081588 1084302157 /nfs/dbraw/zinc/30/21/57/1084302157.db2.gz GLUAJHQHOUROFE-GHMZBOCLSA-N 1 0 302.296 2.227 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CNCCO3)C2)cc1 ZINC001235114106 1084315639 /nfs/dbraw/zinc/31/56/39/1084315639.db2.gz JXZAOEOOIUSQLF-IBGZPJMESA-N 1 0 317.477 2.487 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(O)c1 ZINC001235219732 1084349756 /nfs/dbraw/zinc/34/97/56/1084349756.db2.gz ZKEMVSFCAQIHGP-PBHICJAKSA-N 1 0 303.450 2.422 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC001235386955 1084414733 /nfs/dbraw/zinc/41/47/33/1084414733.db2.gz QIKKQOHMOZLVIA-IYBDPMFKSA-N 1 0 303.450 2.478 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001235678628 1084496106 /nfs/dbraw/zinc/49/61/06/1084496106.db2.gz JTHUBQJWMSEHRK-CQSZACIVSA-N 1 0 304.390 2.326 20 10 DECDRO Cc1cc(Br)cc(CN(C2CC2)C2C[NH2+]C2)c1O ZINC001236064091 1084601518 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CCOC(=O)CN(CCC[NH3+])Cc1ccc(N(CC)CC)cc1 ZINC001236306041 1138349257 /nfs/dbraw/zinc/34/92/57/1138349257.db2.gz OIWZVUPGKOCOSO-UHFFFAOYSA-N 1 0 321.465 2.247 20 10 DECDRO COCCN(Cc1cc(C(C)(C)C)ccc1O)[C@H]1CC[NH2+]C1 ZINC001236333359 1138353377 /nfs/dbraw/zinc/35/33/77/1138353377.db2.gz DMKPRFMSKWODMF-INIZCTEOSA-N 1 0 306.450 2.500 20 10 DECDRO C[C@]1(O)CCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236774656 1138423968 /nfs/dbraw/zinc/42/39/68/1138423968.db2.gz GPCAUBGOFJOURH-ZDUSSCGKSA-N 1 0 316.195 2.207 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c(O)c1 ZINC001236810345 1138434513 /nfs/dbraw/zinc/43/45/13/1138434513.db2.gz WKQQUANIOXDBHH-SFHVURJKSA-N 1 0 318.417 2.296 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CC[C@H]1C2 ZINC001236920264 1138456721 /nfs/dbraw/zinc/45/67/21/1138456721.db2.gz SZMUMFIOAYXUQI-INIZCTEOSA-N 1 0 321.852 2.067 20 10 DECDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925350 1138458039 /nfs/dbraw/zinc/45/80/39/1138458039.db2.gz UASCGSSLONZKFE-HNNXBMFYSA-N 1 0 310.825 2.133 20 10 DECDRO CN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926220 1138458758 /nfs/dbraw/zinc/45/87/58/1138458758.db2.gz CMFCSWCNSBPXFO-UHFFFAOYSA-N 1 0 311.857 2.170 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001236930358 1138460136 /nfs/dbraw/zinc/46/01/36/1138460136.db2.gz MPEDKFJJLUUSIE-MRXNPFEDSA-N 1 0 321.852 2.067 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CCCC(=O)CC3)c(F)c2)CC1 ZINC001236935187 1138462393 /nfs/dbraw/zinc/46/23/93/1138462393.db2.gz FXYCRPFGCQMOPR-UHFFFAOYSA-N 1 0 319.424 2.133 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)CCCO1 ZINC001237055826 1138492470 /nfs/dbraw/zinc/49/24/70/1138492470.db2.gz QRPLBYSTAXEZJT-MRXNPFEDSA-N 1 0 307.390 2.280 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237056211 1138493301 /nfs/dbraw/zinc/49/33/01/1138493301.db2.gz VAWDWRWLJOXAET-UHFFFAOYSA-N 1 0 305.422 2.409 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237084293 1138499987 /nfs/dbraw/zinc/49/99/87/1138499987.db2.gz JTNLBTNFFBMQPR-SNVBAGLBSA-N 1 0 319.232 2.461 20 10 DECDRO CCn1nnc2c1CCN(Cc1c(C)cccc1O)[C@H]2COC ZINC001237486173 1138654068 /nfs/dbraw/zinc/65/40/68/1138654068.db2.gz OXRFWPWDCLYAGL-HNNXBMFYSA-N 1 0 316.405 2.058 20 10 DECDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)c(O)c(OC)c1 ZINC001237674716 1138747716 /nfs/dbraw/zinc/74/77/16/1138747716.db2.gz LSLYCROLZGWBAI-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)c(OC)c1 ZINC001237675607 1138750301 /nfs/dbraw/zinc/75/03/01/1138750301.db2.gz YMIWUCDYTUFSSZ-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677109 1138753281 /nfs/dbraw/zinc/75/32/81/1138753281.db2.gz XDGSDDHHMJPKBG-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c1O ZINC001238062078 1138819153 /nfs/dbraw/zinc/81/91/53/1138819153.db2.gz UCMHPDXHIPVULJ-UHFFFAOYSA-N 1 0 321.396 2.470 20 10 DECDRO Cc1cc(F)cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC001238060530 1138819418 /nfs/dbraw/zinc/81/94/18/1138819418.db2.gz BVSJTSSSYGQVBJ-INIZCTEOSA-N 1 0 308.397 2.136 20 10 DECDRO CCOCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320180582 1140835383 /nfs/dbraw/zinc/83/53/83/1140835383.db2.gz RJAVMHYYFILJCO-UHFFFAOYSA-N 1 0 309.429 2.046 20 10 DECDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001322150663 1141414105 /nfs/dbraw/zinc/41/41/05/1141414105.db2.gz WPLAAGBYQUHZJF-MRXNPFEDSA-N 1 0 310.413 2.159 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001249172232 1141856864 /nfs/dbraw/zinc/85/68/64/1141856864.db2.gz JUOXCVWSWNILQJ-SCLBCKFNSA-N 1 0 321.417 2.091 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOC[C@](C)(O)C3)ccc2O1 ZINC001249224462 1141862330 /nfs/dbraw/zinc/86/23/30/1141862330.db2.gz ZQIBLLVIFLCEPP-GOSISDBHSA-N 1 0 319.401 2.160 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1O ZINC001251946685 1142561613 /nfs/dbraw/zinc/56/16/13/1142561613.db2.gz AEKQQMDFCXRATN-OAHLLOKOSA-N 1 0 305.349 2.369 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC001338794344 1142879040 /nfs/dbraw/zinc/87/90/40/1142879040.db2.gz YXXPPUBLRGNXAP-DPJYBIRISA-N 1 0 319.405 2.031 20 10 DECDRO CC(C)C[C@@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001340113502 1143270286 /nfs/dbraw/zinc/27/02/86/1143270286.db2.gz SJSSTBOUZLALSW-CYBMUJFWSA-N 1 0 305.422 2.242 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC001262263033 1144302412 /nfs/dbraw/zinc/30/24/12/1144302412.db2.gz DVURTYPNTNRTFT-PBHICJAKSA-N 1 0 306.450 2.459 20 10 DECDRO Cc1cc(N2CCC([NH2+]Cc3ccc(N)cc3)CC2)nc(C)n1 ZINC001262488265 1144315659 /nfs/dbraw/zinc/31/56/59/1144315659.db2.gz WNEGVPGDVZOORW-UHFFFAOYSA-N 1 0 311.433 2.434 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384364565 1144420047 /nfs/dbraw/zinc/42/00/47/1144420047.db2.gz GIDAXOINMCJIAS-WMLDXEAASA-N 1 0 303.450 2.489 20 10 DECDRO CCC[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(=O)OCC ZINC000387654836 1144511930 /nfs/dbraw/zinc/51/19/30/1144511930.db2.gz FIQGVPJPUMSTJI-INIZCTEOSA-N 1 0 306.406 2.207 20 10 DECDRO O=C1N[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]2CO1 ZINC001308849349 1147487277 /nfs/dbraw/zinc/48/72/77/1147487277.db2.gz HPEILPGQHZGGEO-GOEBONIOSA-N 1 0 312.369 2.476 20 10 DECDRO C[C@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(=O)[O-] ZINC001326323093 1148077732 /nfs/dbraw/zinc/07/77/32/1148077732.db2.gz GAQCHFTUTBFDMG-OAHLLOKOSA-N 1 0 319.449 2.029 20 10 DECDRO CN1CCCc2cc(CNC(=O)C[C@H]([NH3+])C(C)(C)C)ccc21 ZINC001353518602 1151835728 /nfs/dbraw/zinc/83/57/28/1151835728.db2.gz PVZCTQFGRGFLFR-INIZCTEOSA-N 1 0 303.450 2.449 20 10 DECDRO CCN(CC)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096970989 185394834 /nfs/dbraw/zinc/39/48/34/185394834.db2.gz KRFCKXBEYFTOGK-INIZCTEOSA-N 1 0 320.433 2.242 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000093056343 355666170 /nfs/dbraw/zinc/66/61/70/355666170.db2.gz UEHLENJVTZZYBM-UHFFFAOYSA-N 1 0 311.433 2.255 20 10 DECDRO COc1cccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c1O ZINC001327419033 1148550708 /nfs/dbraw/zinc/55/07/08/1148550708.db2.gz CQQMCYFKFIPAEC-UHFFFAOYSA-N 1 0 300.358 2.132 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000294860741 224269747 /nfs/dbraw/zinc/26/97/47/224269747.db2.gz SZPASDZLJKJGIS-ZDUSSCGKSA-N 1 0 311.447 2.484 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1Cl ZINC001232261185 781982983 /nfs/dbraw/zinc/98/29/83/781982983.db2.gz WIQDBRNGFJQKIU-AWEZNQCLSA-N 1 0 303.761 2.438 20 10 DECDRO COCC1(O)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000273724512 130159503 /nfs/dbraw/zinc/15/95/03/130159503.db2.gz IUMYYNHANROBHD-UHFFFAOYSA-N 1 0 315.797 2.028 20 10 DECDRO COCCOCCOCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000274690430 130255013 /nfs/dbraw/zinc/25/50/13/130255013.db2.gz UOOIUUALIMJUHA-CYBMUJFWSA-N 1 0 315.385 2.252 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1)OCO2 ZINC000284977284 131127932 /nfs/dbraw/zinc/12/79/32/131127932.db2.gz KVPRKOQJYHYUAC-SUMWQHHRSA-N 1 0 314.341 2.136 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000299469786 132107101 /nfs/dbraw/zinc/10/71/01/132107101.db2.gz CPLMVKTXBFEIKI-INIZCTEOSA-N 1 0 313.401 2.494 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1C ZINC000364616559 404473720 /nfs/dbraw/zinc/47/37/20/404473720.db2.gz UPYZEJLNWCXEEH-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000076074062 401781049 /nfs/dbraw/zinc/78/10/49/401781049.db2.gz GSVZKCQJNYYGOH-ZBFHGGJFSA-N 1 0 320.433 2.288 20 10 DECDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000131042446 401843172 /nfs/dbraw/zinc/84/31/72/401843172.db2.gz SLXVGCXGNJOBEI-XLFHBGCDSA-N 1 0 320.252 2.354 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132712285 401872520 /nfs/dbraw/zinc/87/25/20/401872520.db2.gz WLJBISKZWOIVFM-CYBMUJFWSA-N 1 0 322.405 2.500 20 10 DECDRO COc1ccc(N2CCN(CC[NH+]3CCCCC3)CC2)cc1F ZINC000084866557 401911149 /nfs/dbraw/zinc/91/11/49/401911149.db2.gz BAJGDHCTMNCGFY-UHFFFAOYSA-N 1 0 321.440 2.442 20 10 DECDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121327401 402028978 /nfs/dbraw/zinc/02/89/78/402028978.db2.gz WBKPPIXYILAHFX-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000153951200 402183121 /nfs/dbraw/zinc/18/31/21/402183121.db2.gz HOTYGVAUMPGYTL-OAHLLOKOSA-N 1 0 305.422 2.463 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1O ZINC000154833528 402234977 /nfs/dbraw/zinc/23/49/77/402234977.db2.gz VKWXMRDWDOQPCS-HNNXBMFYSA-N 1 0 318.417 2.139 20 10 DECDRO COc1ccc(O)c(C[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000224576120 402314008 /nfs/dbraw/zinc/31/40/08/402314008.db2.gz DCTFMLWQQZBTOY-UHFFFAOYSA-N 1 0 310.394 2.357 20 10 DECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345119 402346146 /nfs/dbraw/zinc/34/61/46/402346146.db2.gz BWASJZQMCQFWHE-LSDHHAIUSA-N 1 0 323.456 2.456 20 10 DECDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227688781 402333188 /nfs/dbraw/zinc/33/31/88/402333188.db2.gz UZPCYVAFWAJWTA-JTQLQIEISA-N 1 0 324.377 2.124 20 10 DECDRO Oc1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000172957600 402680575 /nfs/dbraw/zinc/68/05/75/402680575.db2.gz ZMOBPJKSWVGDQE-AWEZNQCLSA-N 1 0 318.417 2.429 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)n1-c1ccccn1 ZINC000262863576 402735334 /nfs/dbraw/zinc/73/53/34/402735334.db2.gz UKVSYULGDIPWCZ-WBMJQRKESA-N 1 0 312.417 2.217 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccn1 ZINC000262851688 402735566 /nfs/dbraw/zinc/73/55/66/402735566.db2.gz KDVZKKUTIHZSLX-DOMZBBRYSA-N 1 0 312.417 2.359 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183269179 402751503 /nfs/dbraw/zinc/75/15/03/402751503.db2.gz FBKVVQWZGVSMNV-UHFFFAOYSA-N 1 0 307.390 2.030 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175163335 402784613 /nfs/dbraw/zinc/78/46/13/402784613.db2.gz YFCYJIFVWZJFMG-DOTOQJQBSA-N 1 0 318.465 2.425 20 10 DECDRO CC[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278373922 402863808 /nfs/dbraw/zinc/86/38/08/402863808.db2.gz KYKZSFDXZNLQKY-HNNXBMFYSA-N 1 0 310.350 2.310 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCO2)c(O)c1 ZINC000278733446 402869922 /nfs/dbraw/zinc/86/99/22/402869922.db2.gz UPQFXZZIXRMXIB-NVXWUHKLSA-N 1 0 309.406 2.465 20 10 DECDRO COc1c([O-])c(C[NH2+]CCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278907750 402884218 /nfs/dbraw/zinc/88/42/18/402884218.db2.gz SBFAWEZWOMXCIJ-UHFFFAOYSA-N 1 0 323.393 2.131 20 10 DECDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000269037170 403122859 /nfs/dbraw/zinc/12/28/59/403122859.db2.gz VUMBAOIXIFOYGN-ZFWWWQNUSA-N 1 0 310.413 2.474 20 10 DECDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000276053838 403142336 /nfs/dbraw/zinc/14/23/36/403142336.db2.gz URQBQLTXBAAFQP-GFCCVEGCSA-N 1 0 312.841 2.323 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cccn1 ZINC000282428844 403153312 /nfs/dbraw/zinc/15/33/12/403153312.db2.gz JXYFYYVMUAETLE-INIZCTEOSA-N 1 0 303.406 2.252 20 10 DECDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C ZINC000282437527 403154245 /nfs/dbraw/zinc/15/42/45/403154245.db2.gz DPNHOUMVLIMGKZ-BMLIUANNSA-N 1 0 323.364 2.365 20 10 DECDRO COc1cc(O)c(CN2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277457077 403219604 /nfs/dbraw/zinc/21/96/04/403219604.db2.gz LDZBCNXWODHMEP-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276707616 403193064 /nfs/dbraw/zinc/19/30/64/403193064.db2.gz OLVDNKSCNJSTBC-UHFFFAOYSA-N 1 0 310.397 2.353 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000276945661 403195950 /nfs/dbraw/zinc/19/59/50/403195950.db2.gz BCASJHZRBSMRJT-UHFFFAOYSA-N 1 0 311.433 2.301 20 10 DECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000292859917 403381213 /nfs/dbraw/zinc/38/12/13/403381213.db2.gz VGEHDNXMWAWENO-CABZTGNLSA-N 1 0 300.196 2.500 20 10 DECDRO C[C@H](CNC(=O)NCc1ccccc1O)C[NH+]1CCCCC1 ZINC000299529849 403561163 /nfs/dbraw/zinc/56/11/63/403561163.db2.gz SBHMPVMINLVFGI-CQSZACIVSA-N 1 0 305.422 2.313 20 10 DECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000288363010 403746891 /nfs/dbraw/zinc/74/68/91/403746891.db2.gz KUFCUUASJTYSIW-HSRYQADGSA-N 1 0 316.401 2.196 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289668424 403992009 /nfs/dbraw/zinc/99/20/09/403992009.db2.gz NNAJGJHLUSBTNQ-NWDGAFQWSA-N 1 0 319.323 2.394 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000289709386 403993226 /nfs/dbraw/zinc/99/32/26/403993226.db2.gz GOBWRNHLJZJCIC-CZUORRHYSA-N 1 0 306.406 2.184 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2)n(C)c1C ZINC000291146062 404375538 /nfs/dbraw/zinc/37/55/38/404375538.db2.gz GSUOIDXFGAAWCR-UHFFFAOYSA-N 1 0 315.417 2.476 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000291344675 404381528 /nfs/dbraw/zinc/38/15/28/404381528.db2.gz WLDCKDZYMLMTAA-UHFFFAOYSA-N 1 0 312.797 2.277 20 10 DECDRO COc1cccc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000360828208 404839896 /nfs/dbraw/zinc/83/98/96/404839896.db2.gz HXTYSGXFCQZYHF-AWEZNQCLSA-N 1 0 317.389 2.314 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330412 227008615 /nfs/dbraw/zinc/00/86/15/227008615.db2.gz VWPOXEJDURMZJQ-ZFWWWQNUSA-N 1 0 321.440 2.350 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1OC ZINC000371366958 227070699 /nfs/dbraw/zinc/07/06/99/227070699.db2.gz QYUNPOBBXZDRCV-LBPRGKRZSA-N 1 0 317.389 2.132 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418105557 229223754 /nfs/dbraw/zinc/22/37/54/229223754.db2.gz ZWNHBELQFAEEHN-OLZOCXBDSA-N 1 0 314.433 2.379 20 10 DECDRO CC1(C)CN(C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662497519 425665105 /nfs/dbraw/zinc/66/51/05/425665105.db2.gz KRPWQLRYJWPRQT-LBPRGKRZSA-N 1 0 310.401 2.425 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC001349137360 1151225139 /nfs/dbraw/zinc/22/51/39/1151225139.db2.gz IIGHYSHNLBVMSJ-OFQRWUPVSA-N 1 0 307.413 2.397 20 10 DECDRO O=C(NCCCSc1nccs1)[C@@H]1[NH2+]CC12CCCC2 ZINC001357151683 1152258375 /nfs/dbraw/zinc/25/83/75/1152258375.db2.gz ZETUVOVQLJAJCJ-NSHDSACASA-N 1 0 311.476 2.274 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000835029119 649868443 /nfs/dbraw/zinc/86/84/43/649868443.db2.gz QOADPIGVPHNJOR-IMMZDGJCSA-N 1 0 301.434 2.353 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1O ZINC000230934737 533953853 /nfs/dbraw/zinc/95/38/53/533953853.db2.gz PNEKJTXXUKUFMD-QPUJVOFHSA-N 1 0 305.827 2.256 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418092923 533970851 /nfs/dbraw/zinc/97/08/51/533970851.db2.gz BCYWGOIXRORIKR-WFASDCNBSA-N 1 0 314.433 2.284 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000130113270 521142430 /nfs/dbraw/zinc/14/24/30/521142430.db2.gz JUKXUBRRMBFQGG-UHFFFAOYSA-N 1 0 307.390 2.376 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+](C(C)C)C(C)C)cc2=O ZINC000180452745 521580826 /nfs/dbraw/zinc/58/08/26/521580826.db2.gz VQGGKSNDIQWQMF-UHFFFAOYSA-N 1 0 320.393 2.230 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182232413 522212852 /nfs/dbraw/zinc/21/28/52/522212852.db2.gz YQYNKDYTNPMSST-CVEARBPZSA-N 1 0 310.463 2.198 20 10 DECDRO CCc1nsc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000180421378 522966264 /nfs/dbraw/zinc/96/62/64/522966264.db2.gz IHANRZDXULRXAX-UHFFFAOYSA-N 1 0 318.446 2.437 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3([NH3+])CCCCC3)ccc21 ZINC000237128062 523859827 /nfs/dbraw/zinc/85/98/27/523859827.db2.gz YIQGLXYAFURWKJ-UHFFFAOYSA-N 1 0 301.434 2.347 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)ccc21 ZINC000237128886 523861128 /nfs/dbraw/zinc/86/11/28/523861128.db2.gz OEHCUFVKXIKSRL-GOSISDBHSA-N 1 0 301.434 2.217 20 10 DECDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001327485077 1148565630 /nfs/dbraw/zinc/56/56/30/1148565630.db2.gz CWMRPGOPPFFZGB-CQSZACIVSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000192500207 525136306 /nfs/dbraw/zinc/13/63/06/525136306.db2.gz NKIYRSPTEBAUHX-DYVFJYSZSA-N 1 0 322.424 2.301 20 10 DECDRO Cc1ccc([C@@H](C[NH2+]Cc2ccccc2O)N2CCOCC2)o1 ZINC000237887303 525763223 /nfs/dbraw/zinc/76/32/23/525763223.db2.gz YFASFORPPPWEPD-MRXNPFEDSA-N 1 0 316.401 2.457 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188819134 526340765 /nfs/dbraw/zinc/34/07/65/526340765.db2.gz VMAXPJIGWVKWBM-JOYOIKCWSA-N 1 0 300.196 2.405 20 10 DECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000274499649 535635406 /nfs/dbraw/zinc/63/54/06/535635406.db2.gz HVIVNUINJXHNOD-ZJUUUORDSA-N 1 0 311.353 2.411 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)C2CCOCC2)cc1 ZINC000835044648 649870672 /nfs/dbraw/zinc/87/06/72/649870672.db2.gz CXSJWKDVDITZAH-ARJAWSKDSA-N 1 0 304.434 2.239 20 10 DECDRO C[C@@H](CCS(C)(=O)=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042903 649870710 /nfs/dbraw/zinc/87/07/10/649870710.db2.gz LQQHVVVKTMFTLS-GXMNPTEKSA-N 1 0 310.463 2.179 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCSCC2)cc1 ZINC000835041926 649870761 /nfs/dbraw/zinc/87/07/61/649870761.db2.gz BSGDLFYZMDJMKV-ONEGZZNKSA-N 1 0 305.491 2.404 20 10 DECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C/C=C/c3ccc(N(C)C)cc3)C[C@@H]21 ZINC000835055659 649873012 /nfs/dbraw/zinc/87/30/12/649873012.db2.gz MZVPEMUSGHMOSD-ORZRYMOLSA-N 1 0 300.402 2.117 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074531 649875299 /nfs/dbraw/zinc/87/52/99/649875299.db2.gz RPKSTVQYDRSXKY-KBPBESRZSA-N 1 0 304.390 2.034 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000102010388 649904586 /nfs/dbraw/zinc/90/45/86/649904586.db2.gz KARPYMUSIAUTIQ-UHFFFAOYSA-N 1 0 310.417 2.031 20 10 DECDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc(O)c2O)([NH+](C)C)C1 ZINC000192989206 625594726 /nfs/dbraw/zinc/59/47/26/625594726.db2.gz LXAVDTMTWKSGDY-SJKOYZFVSA-N 1 0 306.406 2.338 20 10 DECDRO CCOC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247302 623791324 /nfs/dbraw/zinc/79/13/24/623791324.db2.gz TWNSUSFKCMYBAS-INIZCTEOSA-N 1 0 321.465 2.287 20 10 DECDRO COC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000891247895 623791620 /nfs/dbraw/zinc/79/16/20/623791620.db2.gz IPFFYCYGYGFKIW-MRXNPFEDSA-N 1 0 319.449 2.041 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC=CO2)[NH+](C)C)cc1 ZINC000891247186 623791773 /nfs/dbraw/zinc/79/17/73/623791773.db2.gz GSYRLZPMJAHGBX-IRXDYDNUSA-N 1 0 317.433 2.164 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(C)O)[NH+](C)C)cc1 ZINC000891248436 623792476 /nfs/dbraw/zinc/79/24/76/623792476.db2.gz LNYBWAVAEJIYRO-MRXNPFEDSA-N 1 0 321.465 2.023 20 10 DECDRO CCC[C@@H](O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253443 623799241 /nfs/dbraw/zinc/79/92/41/623799241.db2.gz SLUJFOJUBJKUCS-IAGOWNOFSA-N 1 0 321.465 2.023 20 10 DECDRO CC[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891409722 624153706 /nfs/dbraw/zinc/15/37/06/624153706.db2.gz IHANAISUYJBLCW-CJNGLKHVSA-N 1 0 306.454 2.453 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891563392 624479874 /nfs/dbraw/zinc/47/98/74/624479874.db2.gz FKMLVZWDPQYGAI-SJLPKXTDSA-N 1 0 316.449 2.145 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000891575083 624483238 /nfs/dbraw/zinc/48/32/38/624483238.db2.gz AFENAQIGTITHRP-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000891608624 624493330 /nfs/dbraw/zinc/49/33/30/624493330.db2.gz VZERZPHDIFEPPE-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000176220475 624707230 /nfs/dbraw/zinc/70/72/30/624707230.db2.gz NYPZGVXQTBKMLJ-ZIAGYGMSSA-N 1 0 321.421 2.073 20 10 DECDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784150 /nfs/dbraw/zinc/78/41/50/624784150.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 1 0 308.422 2.324 20 10 DECDRO O=[S@](CC[NH2+]Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000850348587 625146431 /nfs/dbraw/zinc/14/64/31/625146431.db2.gz PFNFSRGTIOGLQV-LJQANCHMSA-N 1 0 315.744 2.446 20 10 DECDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(Cl)c2[O-])N1 ZINC000124702779 633403277 /nfs/dbraw/zinc/40/32/77/633403277.db2.gz HBEQGFBFYDABCC-CYBMUJFWSA-N 1 0 313.748 2.492 20 10 DECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000027355318 633524398 /nfs/dbraw/zinc/52/43/98/633524398.db2.gz MOSIRUPIGOVPFW-OAHLLOKOSA-N 1 0 318.465 2.426 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC000998351815 634229394 /nfs/dbraw/zinc/22/93/94/634229394.db2.gz KSDDZNTWUWWLEQ-INIZCTEOSA-N 1 0 302.418 2.494 20 10 DECDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000319944320 635754419 /nfs/dbraw/zinc/75/44/19/635754419.db2.gz GXYCHCDVUKXPQM-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c(O)c1OC ZINC000893941520 636070648 /nfs/dbraw/zinc/07/06/48/636070648.db2.gz SSWQNKSYVHSDTO-LLVKDONJSA-N 1 0 323.311 2.466 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000894093333 636110688 /nfs/dbraw/zinc/11/06/88/636110688.db2.gz DFHWKQRKFWUVAG-ZFWWWQNUSA-N 1 0 318.417 2.200 20 10 DECDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2[O-])CN1 ZINC000894095820 636111655 /nfs/dbraw/zinc/11/16/55/636111655.db2.gz SNWYWWLEGZNEKK-QMTHXVAHSA-N 1 0 310.344 2.161 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1 ZINC000922486493 636197078 /nfs/dbraw/zinc/19/70/78/636197078.db2.gz VGNCKOSPOADMGA-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CCCN(CC)C2=O)ccc1OC ZINC000922639111 636290330 /nfs/dbraw/zinc/29/03/30/636290330.db2.gz HVVILAWYYWSMAG-MRXNPFEDSA-N 1 0 320.433 2.332 20 10 DECDRO COc1cc(C)cc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000894317733 636824457 /nfs/dbraw/zinc/82/44/57/636824457.db2.gz PVENGEJCCMYCHL-UHFFFAOYSA-N 1 0 322.405 2.418 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951726 636880183 /nfs/dbraw/zinc/88/01/83/636880183.db2.gz ZQXGDPKSQNZARU-ZDUSSCGKSA-N 1 0 310.825 2.389 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccccc1 ZINC000923285907 637086913 /nfs/dbraw/zinc/08/69/13/637086913.db2.gz HTIUQBFXVHCABK-QGZVFWFLSA-N 1 0 312.413 2.338 20 10 DECDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894532017 637092191 /nfs/dbraw/zinc/09/21/91/637092191.db2.gz HHVDINOWEMYHNA-INWMFGNUSA-N 1 0 319.401 2.483 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531861 637233567 /nfs/dbraw/zinc/23/35/67/637233567.db2.gz WQXJKWZXZYZGTN-LJQANCHMSA-N 1 0 315.461 2.241 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1 ZINC000895000303 637371586 /nfs/dbraw/zinc/37/15/86/637371586.db2.gz JHTSEAWMMGZNRA-LJQANCHMSA-N 1 0 310.397 2.330 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1O ZINC000895037835 637390841 /nfs/dbraw/zinc/39/08/41/637390841.db2.gz RHFYMOWSGKMORH-CYBMUJFWSA-N 1 0 309.406 2.383 20 10 DECDRO Cc1cc(O)c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000840890787 650372092 /nfs/dbraw/zinc/37/20/92/650372092.db2.gz RJFJNEARDNOVAR-OLZOCXBDSA-N 1 0 310.825 2.307 20 10 DECDRO COCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840892822 650372758 /nfs/dbraw/zinc/37/27/58/650372758.db2.gz DQOVXZYYDQISSA-SJLPKXTDSA-N 1 0 319.493 2.302 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000840911715 650378159 /nfs/dbraw/zinc/37/81/59/650378159.db2.gz NSTDUIMCLZDYDT-IBGZPJMESA-N 1 0 317.477 2.358 20 10 DECDRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741054438 637938513 /nfs/dbraw/zinc/93/85/13/637938513.db2.gz OFKGVHLHRJNXKB-CABCVRRESA-N 1 0 303.450 2.441 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1 ZINC000895343487 637949882 /nfs/dbraw/zinc/94/98/82/637949882.db2.gz SCFSUEMYUDKKGE-QGZVFWFLSA-N 1 0 316.449 2.132 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000742377831 638065380 /nfs/dbraw/zinc/06/53/80/638065380.db2.gz XXVFFNXLJSZWQT-HIFRSBDPSA-N 1 0 308.397 2.177 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000840940479 650390408 /nfs/dbraw/zinc/39/04/08/650390408.db2.gz AWTWBKKPLPOULM-INIZCTEOSA-N 1 0 305.466 2.214 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000840953329 650394360 /nfs/dbraw/zinc/39/43/60/650394360.db2.gz QCZLKOMKADUFER-DLBZAZTESA-N 1 0 301.434 2.304 20 10 DECDRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840931211 650387829 /nfs/dbraw/zinc/38/78/29/650387829.db2.gz DBOGCWBLHMOZQU-GOSISDBHSA-N 1 0 305.466 2.261 20 10 DECDRO CC(C)(CC[NH2+]Cc1c(O)cccc1Cl)S(C)(=O)=O ZINC000840960844 650394819 /nfs/dbraw/zinc/39/48/19/650394819.db2.gz VXLNFNNEFQXFBA-UHFFFAOYSA-N 1 0 305.827 2.349 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C=CCC2)[NH+](C)C)cc1 ZINC000895719444 638164598 /nfs/dbraw/zinc/16/45/98/638164598.db2.gz RXRSGVLGQAETRO-WBVHZDCISA-N 1 0 316.449 2.373 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C(C)(C)C)CC2)cc1F ZINC000841022441 650407427 /nfs/dbraw/zinc/40/74/27/650407427.db2.gz ULXYHABSAKLYAP-UHFFFAOYSA-N 1 0 309.429 2.344 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1O ZINC000841043555 650412420 /nfs/dbraw/zinc/41/24/20/650412420.db2.gz PICJYWVISFDAKQ-INIZCTEOSA-N 1 0 315.417 2.256 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000841045642 650413539 /nfs/dbraw/zinc/41/35/39/650413539.db2.gz NNHGOWQAWIHWPR-QGZVFWFLSA-N 1 0 323.444 2.429 20 10 DECDRO COc1ccc(O)c(CNc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000841082663 650425615 /nfs/dbraw/zinc/42/56/15/650425615.db2.gz OTNBOVYGKNIJLZ-UHFFFAOYSA-N 1 0 300.358 2.495 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(O)c1 ZINC000896398819 638503417 /nfs/dbraw/zinc/50/34/17/638503417.db2.gz WVHGPRPEXJHNAK-YOEHRIQHSA-N 1 0 304.390 2.411 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cccc(OCC)c3O)C[C@@H]21 ZINC000896449058 638518694 /nfs/dbraw/zinc/51/86/94/638518694.db2.gz WBEHLFVQPRGPPU-IJEWVQPXSA-N 1 0 319.401 2.422 20 10 DECDRO CCc1cccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1O ZINC000896625963 638607101 /nfs/dbraw/zinc/60/71/01/638607101.db2.gz WWCPHWQKQUJMBH-UHFFFAOYSA-N 1 0 305.418 2.366 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000896709644 638649445 /nfs/dbraw/zinc/64/94/45/638649445.db2.gz GWSGLAWJDCHPHA-UHFFFAOYSA-N 1 0 308.422 2.396 20 10 DECDRO C[C@H]1CN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841301675 650471284 /nfs/dbraw/zinc/47/12/84/650471284.db2.gz CRDRRSRQWLSREN-STQMWFEESA-N 1 0 320.437 2.278 20 10 DECDRO Cn1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000788018854 639235503 /nfs/dbraw/zinc/23/55/03/639235503.db2.gz FWPZGUSGMMFSAB-MRXNPFEDSA-N 1 0 301.390 2.307 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(O)c1 ZINC000897261561 639294884 /nfs/dbraw/zinc/29/48/84/639294884.db2.gz JJQQVMKYWHKEOA-HNNXBMFYSA-N 1 0 321.417 2.297 20 10 DECDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305121569 639461334 /nfs/dbraw/zinc/46/13/34/639461334.db2.gz JSQWYUYYCDDPIT-ZFWWWQNUSA-N 1 0 310.413 2.474 20 10 DECDRO COc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000754742187 639467843 /nfs/dbraw/zinc/46/78/43/639467843.db2.gz SNQHVGHLBFUVGX-HNNXBMFYSA-N 1 0 320.433 2.361 20 10 DECDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000754742188 639468016 /nfs/dbraw/zinc/46/80/16/639468016.db2.gz SNQHVGHLBFUVGX-OAHLLOKOSA-N 1 0 320.433 2.361 20 10 DECDRO CCCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756323538 639649584 /nfs/dbraw/zinc/64/95/84/639649584.db2.gz QTJWOPJIBKTUNY-KRWDZBQOSA-N 1 0 319.449 2.171 20 10 DECDRO CC1(C)OCC([NH2+]Cc2cc(Br)ccc2O)CO1 ZINC000758009800 639906669 /nfs/dbraw/zinc/90/66/69/639906669.db2.gz ACHBLFNNPSSQEX-UHFFFAOYSA-N 1 0 316.195 2.396 20 10 DECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000759293664 640047743 /nfs/dbraw/zinc/04/77/43/640047743.db2.gz AYKAQYRZJYLJCX-QAQDUYKDSA-N 1 0 304.434 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000841718600 650550643 /nfs/dbraw/zinc/55/06/43/650550643.db2.gz VPFKZICCOAGHIP-OAHLLOKOSA-N 1 0 304.438 2.084 20 10 DECDRO CN1CCCc2cc(CNC(=O)N3CCC(C)([NH3+])CC3)ccc21 ZINC000841760409 650558503 /nfs/dbraw/zinc/55/85/03/650558503.db2.gz VIGQWJALTLYFOZ-UHFFFAOYSA-N 1 0 316.449 2.092 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1F ZINC000841798527 650567793 /nfs/dbraw/zinc/56/77/93/650567793.db2.gz JSDBTUVMGHEIDF-UHFFFAOYSA-N 1 0 322.428 2.353 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841823876 650571046 /nfs/dbraw/zinc/57/10/46/650571046.db2.gz IVLTUCBIWZPCOB-XJKSGUPXSA-N 1 0 318.465 2.187 20 10 DECDRO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[C@@H]1[NH3+] ZINC000841825252 650571682 /nfs/dbraw/zinc/57/16/82/650571682.db2.gz ZXQRABOCFNFRIA-YOEHRIQHSA-N 1 0 318.465 2.330 20 10 DECDRO CC[NH2+]CCCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000841799645 650567308 /nfs/dbraw/zinc/56/73/08/650567308.db2.gz ZDSSVVSIYFADCK-UHFFFAOYSA-N 1 0 324.444 2.471 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1F ZINC000841799664 650567561 /nfs/dbraw/zinc/56/75/61/650567561.db2.gz ZOZVZUJWDUPRLH-UHFFFAOYSA-N 1 0 322.428 2.177 20 10 DECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761967329 640367139 /nfs/dbraw/zinc/36/71/39/640367139.db2.gz LZWTUHVFYXTPLT-IUODEOHRSA-N 1 0 306.406 2.452 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000841826643 650573232 /nfs/dbraw/zinc/57/32/32/650573232.db2.gz HJNXMSMGQODBOM-CQSZACIVSA-N 1 0 318.465 2.330 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841827875 650573851 /nfs/dbraw/zinc/57/38/51/650573851.db2.gz PSGFQXZFXLQLRQ-YOEHRIQHSA-N 1 0 318.465 2.378 20 10 DECDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000841829357 650573988 /nfs/dbraw/zinc/57/39/88/650573988.db2.gz PRVLIDLPYLMQAJ-MRXNPFEDSA-N 1 0 320.481 2.477 20 10 DECDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000897465847 640432249 /nfs/dbraw/zinc/43/22/49/640432249.db2.gz JBQOPZKRPGZTNQ-NSHDSACASA-N 1 0 311.813 2.187 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000841852216 650580328 /nfs/dbraw/zinc/58/03/28/650580328.db2.gz ILLFYTTYBFUNDS-HOTGVXAUSA-N 1 0 301.434 2.050 20 10 DECDRO C[C@H](CCC[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841857643 650582356 /nfs/dbraw/zinc/58/23/56/650582356.db2.gz QJHWWIOQUWGBOG-SNVBAGLBSA-N 1 0 302.469 2.052 20 10 DECDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841746659 640493232 /nfs/dbraw/zinc/49/32/32/640493232.db2.gz JVNCUTNDKVIFQM-QWHCGFSZSA-N 1 0 311.857 2.332 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1F ZINC000763465560 640545709 /nfs/dbraw/zinc/54/57/09/640545709.db2.gz ABQOXASZSMPMJW-INIZCTEOSA-N 1 0 310.413 2.159 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763558529 640552254 /nfs/dbraw/zinc/55/22/54/640552254.db2.gz KPLMFOLUTFHGLY-BLLLJJGKSA-N 1 0 309.406 2.229 20 10 DECDRO C[C@@H](CCNC(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000841876192 650588484 /nfs/dbraw/zinc/58/84/84/650588484.db2.gz ULGWLUCIDJASAB-HNNXBMFYSA-N 1 0 318.465 2.375 20 10 DECDRO C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000841880460 650591122 /nfs/dbraw/zinc/59/11/22/650591122.db2.gz AEBHFFQIWPWWBA-CYBMUJFWSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880838 650591198 /nfs/dbraw/zinc/59/11/98/650591198.db2.gz IKBFSYDGQVJYBX-QEJZJMRPSA-N 1 0 304.438 2.383 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841880647 650591271 /nfs/dbraw/zinc/59/12/71/650591271.db2.gz FLMUSIOKLGBROB-WWGRRREGSA-N 1 0 304.438 2.111 20 10 DECDRO C[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882966 650592200 /nfs/dbraw/zinc/59/22/00/650592200.db2.gz QBGQWLROJJDXEU-BBRMVZONSA-N 1 0 304.438 2.336 20 10 DECDRO 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DECDRO COc1ccc(N2CCN(C[C@@]3(C)CCC[NH2+]C3)CC2)cc1F ZINC000904346410 643640922 /nfs/dbraw/zinc/64/09/22/643640922.db2.gz TYBXZCQRSSCVDS-SFHVURJKSA-N 1 0 321.440 2.346 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)cc1 ZINC000905028497 643775281 /nfs/dbraw/zinc/77/52/81/643775281.db2.gz UGMPXSXEBAHLIU-QGZVFWFLSA-N 1 0 306.450 2.146 20 10 DECDRO COc1c(O)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843045064 650875441 /nfs/dbraw/zinc/87/54/41/650875441.db2.gz HHGTUXKWSPHEMJ-PWSUYJOCSA-N 1 0 309.366 2.011 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c(O)c1 ZINC000790618918 643873636 /nfs/dbraw/zinc/87/36/36/643873636.db2.gz LDINLIMRNIEBGK-BBRMVZONSA-N 1 0 311.422 2.039 20 10 DECDRO CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052709 650878671 /nfs/dbraw/zinc/87/86/71/650878671.db2.gz RRKKZGMAGZFEPE-RDJZCZTQSA-N 1 0 321.440 2.222 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](OC)[C@@H](OC)C3)c2c1 ZINC000792713928 644141784 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KOUBPSGJGJVWHA-BXUZGUMPSA-N 1 0 308.809 2.455 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCOCCO)C2CCC2)cc1F ZINC000827210003 648992875 /nfs/dbraw/zinc/99/28/75/648992875.db2.gz JBMSQLUYFDABKV-UHFFFAOYSA-N 1 0 310.413 2.255 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320097 649014042 /nfs/dbraw/zinc/01/40/42/649014042.db2.gz DEKQSSBRPDMZKP-QGZVFWFLSA-N 1 0 321.490 2.374 20 10 DECDRO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000827336180 649016835 /nfs/dbraw/zinc/01/68/35/649016835.db2.gz BONUAADEBSCAIZ-SFHVURJKSA-N 1 0 304.434 2.449 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1F ZINC000829038509 649263750 /nfs/dbraw/zinc/26/37/50/649263750.db2.gz JJXAGIAUERWWKH-GFCCVEGCSA-N 1 0 317.355 2.271 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)cc2)CC1 ZINC000829108312 649272805 /nfs/dbraw/zinc/27/28/05/649272805.db2.gz WLNLFMQCPPMTKY-APWZRJJASA-N 1 0 316.445 2.116 20 10 DECDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000184523080 649293949 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)COC2CCCCC2)cc1 ZINC000832272070 649690964 /nfs/dbraw/zinc/69/09/64/649690964.db2.gz CNANKESMOVPRNE-QGZVFWFLSA-N 1 0 319.449 2.218 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Cl)nc2)cc1 ZINC000832292549 649693342 /nfs/dbraw/zinc/69/33/42/649693342.db2.gz IUSVGXDVLJCWSA-CQSZACIVSA-N 1 0 318.808 2.231 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1 ZINC000832550305 649723713 /nfs/dbraw/zinc/72/37/13/649723713.db2.gz OJHDAZORDAMIQT-MRXNPFEDSA-N 1 0 318.465 2.378 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000844887426 651179749 /nfs/dbraw/zinc/17/97/49/651179749.db2.gz VMRJDAJXPLGBNZ-ZIAGYGMSSA-N 1 0 323.824 2.472 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000844887412 651179909 /nfs/dbraw/zinc/17/99/09/651179909.db2.gz VMRJDAJXPLGBNZ-KGLIPLIRSA-N 1 0 323.824 2.472 20 10 DECDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846015069 651301643 /nfs/dbraw/zinc/30/16/43/651301643.db2.gz BBTDTTWSHHFNHE-YJBOKZPZSA-N 1 0 306.450 2.410 20 10 DECDRO CCN1C[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000846092069 651307130 /nfs/dbraw/zinc/30/71/30/651307130.db2.gz SWMXPNOJJLVELY-KJPDOMRESA-N 1 0 301.434 2.224 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000846169913 651312484 /nfs/dbraw/zinc/31/24/84/651312484.db2.gz GWEVMYKAWVTEPY-WDEREUQCSA-N 1 0 313.419 2.017 20 10 DECDRO COCCn1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846167157 651312495 /nfs/dbraw/zinc/31/24/95/651312495.db2.gz HDKVARBXBSJSHZ-LBPRGKRZSA-N 1 0 305.378 2.095 20 10 DECDRO COCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCOCC1 ZINC000846169616 651312513 /nfs/dbraw/zinc/31/25/13/651312513.db2.gz IMHGMCJHRWNUOC-ZDUSSCGKSA-N 1 0 309.406 2.495 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000846174712 651313028 /nfs/dbraw/zinc/31/30/28/651313028.db2.gz YOWHAZGIUXADDN-OCCSQVGLSA-N 1 0 302.374 2.223 20 10 DECDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000848390618 651455440 /nfs/dbraw/zinc/45/54/40/651455440.db2.gz CPOJCGWVCJYUBE-UHFFFAOYSA-N 1 0 310.369 2.183 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCCN3CCC3)CC2)cc1 ZINC000848545101 651469204 /nfs/dbraw/zinc/46/92/04/651469204.db2.gz RJQLIVRROIWZTC-UHFFFAOYSA-N 1 0 303.450 2.349 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848564151 651471604 /nfs/dbraw/zinc/47/16/04/651471604.db2.gz IHTPVKUSDBOMAZ-HOCLYGCPSA-N 1 0 313.449 2.479 20 10 DECDRO COCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000848564830 651471710 /nfs/dbraw/zinc/47/17/10/651471710.db2.gz KCJGLMUGQRWQJJ-UHFFFAOYSA-N 1 0 308.397 2.179 20 10 DECDRO CCc1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000848889622 651546427 /nfs/dbraw/zinc/54/64/27/651546427.db2.gz NKZQCQIXTYCSOF-OAHLLOKOSA-N 1 0 304.434 2.109 20 10 DECDRO CCc1cccc(C[NH+]2CCN(c3nc(C)ns3)CC2)c1O ZINC000848887646 651547010 /nfs/dbraw/zinc/54/70/10/651547010.db2.gz AYXGCFZUDQJZFJ-UHFFFAOYSA-N 1 0 318.446 2.437 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H](O)COc2ccccc2)c1O ZINC000848892706 651548043 /nfs/dbraw/zinc/54/80/43/651548043.db2.gz FHDVQSZCJOGIDX-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO CCc1cccc(C[NH2+][C@]2(CC(=O)OC)CCCOC2)c1O ZINC000848903386 651552622 /nfs/dbraw/zinc/55/26/22/651552622.db2.gz REHJNMLPNHSRHB-KRWDZBQOSA-N 1 0 307.390 2.157 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000848911582 651557613 /nfs/dbraw/zinc/55/76/13/651557613.db2.gz HGLFTBCLLFPENQ-HIFRSBDPSA-N 1 0 320.433 2.305 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000848911744 651557924 /nfs/dbraw/zinc/55/79/24/651557924.db2.gz YFINTYPGPAJFBO-WMLDXEAASA-N 1 0 304.434 2.250 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000848929470 651565832 /nfs/dbraw/zinc/56/58/32/651565832.db2.gz FJFSDKWZBAIYKJ-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044044 651593298 /nfs/dbraw/zinc/59/32/98/651593298.db2.gz QYHQVPJIPXUDRR-AWEZNQCLSA-N 1 0 304.438 2.388 20 10 DECDRO CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC[N@H+](CC)C1 ZINC000855491101 651709187 /nfs/dbraw/zinc/70/91/87/651709187.db2.gz NQABBXFAUPMSRU-QPBFKRLHSA-N 1 0 304.390 2.054 20 10 DECDRO COCC(COC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850315457 651896729 /nfs/dbraw/zinc/89/67/29/651896729.db2.gz CMXRXOMMYXLHEG-UHFFFAOYSA-N 1 0 311.422 2.449 20 10 DECDRO COc1cc(C[NH2+]C[C@@H]2CCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000850323777 651898584 /nfs/dbraw/zinc/89/85/84/651898584.db2.gz GEEMSCPXQDNKJC-LBPRGKRZSA-N 1 0 320.433 2.314 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnn4c3CCC4)C2)cc1 ZINC000850347596 651906165 /nfs/dbraw/zinc/90/61/65/651906165.db2.gz UNHVXQISXRPMRX-HNNXBMFYSA-N 1 0 312.417 2.206 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353092 651907965 /nfs/dbraw/zinc/90/79/65/651907965.db2.gz SFDKACPECICRTA-QGZVFWFLSA-N 1 0 309.413 2.430 20 10 DECDRO CCn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406011 651921599 /nfs/dbraw/zinc/92/15/99/651921599.db2.gz OHQKKCCAPVDCSE-UHFFFAOYSA-N 1 0 314.433 2.154 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000850406754 651922729 /nfs/dbraw/zinc/92/27/29/651922729.db2.gz SCKRUAQRPZMIAI-OAHLLOKOSA-N 1 0 306.475 2.490 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cn3cccn3)C2)cc1 ZINC000850488593 651937559 /nfs/dbraw/zinc/93/75/59/651937559.db2.gz NNRDGDUGNPKIHU-LSDHHAIUSA-N 1 0 300.406 2.149 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)ccc1O ZINC000850547851 651950053 /nfs/dbraw/zinc/95/00/53/651950053.db2.gz VTUYIZVFZJRENE-WPRPVWTQSA-N 1 0 313.195 2.084 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000850565397 651954065 /nfs/dbraw/zinc/95/40/65/651954065.db2.gz DFGXVXIZXBAPLX-SFHVURJKSA-N 1 0 304.434 2.162 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566751 651954091 /nfs/dbraw/zinc/95/40/91/651954091.db2.gz RYUIQHWBIBSOIL-AWEZNQCLSA-N 1 0 314.433 2.232 20 10 DECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCc1ccc(N)cc1 ZINC000851664755 652201827 /nfs/dbraw/zinc/20/18/27/652201827.db2.gz JVSZFXGOXVVRLZ-HNNXBMFYSA-N 1 0 318.465 2.231 20 10 DECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172983 652270973 /nfs/dbraw/zinc/27/09/73/652270973.db2.gz MZHDDELNIRQFDL-ZBEGNZNMSA-N 1 0 314.376 2.172 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851899182 652273947 /nfs/dbraw/zinc/27/39/47/652273947.db2.gz YWRBRPUGWKJYNP-PBHICJAKSA-N 1 0 320.433 2.325 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858294922 652298396 /nfs/dbraw/zinc/29/83/96/652298396.db2.gz UEHNSJZHEJJHPO-UHFFFAOYSA-N 1 0 311.385 2.487 20 10 DECDRO CN(CC[NH2+]Cc1c(O)cccc1Br)CC(F)F ZINC000858337729 652311355 /nfs/dbraw/zinc/31/13/55/652311355.db2.gz MMZRRXYAMYZPOG-UHFFFAOYSA-N 1 0 323.181 2.441 20 10 DECDRO Cc1cc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)ccc1N(C)C ZINC000852055870 652326311 /nfs/dbraw/zinc/32/63/11/652326311.db2.gz DTXKCSJPKAXIIR-UHFFFAOYSA-N 1 0 314.437 2.141 20 10 DECDRO COc1ccc(N2CCN(c3cc[nH+]c(CO)c3)CC2)cc1F ZINC000858441370 652337207 /nfs/dbraw/zinc/33/72/07/652337207.db2.gz PSNKRVRDCITUFJ-UHFFFAOYSA-N 1 0 317.364 2.048 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852438205 652401677 /nfs/dbraw/zinc/40/16/77/652401677.db2.gz NRYSUJCGYRRECQ-MRXNPFEDSA-N 1 0 303.406 2.169 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(O)c1 ZINC000852469416 652405918 /nfs/dbraw/zinc/40/59/18/652405918.db2.gz VCMPHOUJWKMVIF-CYBMUJFWSA-N 1 0 321.421 2.073 20 10 DECDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079000222 683968889 /nfs/dbraw/zinc/96/88/89/683968889.db2.gz URVUNSVVUOMGKT-KRWDZBQOSA-N 1 0 317.477 2.487 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000093277220 684048515 /nfs/dbraw/zinc/04/85/15/684048515.db2.gz CMLRSMCAKBDLRI-QGZVFWFLSA-N 1 0 301.434 2.339 20 10 DECDRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000126663799 684156656 /nfs/dbraw/zinc/15/66/56/684156656.db2.gz KGNDRVGDLXNCMA-XYPWUTKMSA-N 1 0 320.408 2.150 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000127339343 684162502 /nfs/dbraw/zinc/16/25/02/684162502.db2.gz HQAUTGIHAPXKSN-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2c(O)cccc2F)C1 ZINC000928705257 693830099 /nfs/dbraw/zinc/83/00/99/693830099.db2.gz FLFPXFLDYIKEOY-INIZCTEOSA-N 1 0 312.360 2.360 20 10 DECDRO C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C[NH2+]1 ZINC000861590436 686151771 /nfs/dbraw/zinc/15/17/71/686151771.db2.gz RJCQWLPGAYZNBK-HOCLYGCPSA-N 1 0 314.433 2.003 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1F ZINC000862235756 686261739 /nfs/dbraw/zinc/26/17/39/686261739.db2.gz XLBWFCQCCNFLKP-LBPRGKRZSA-N 1 0 311.376 2.261 20 10 DECDRO COC[C@@]1(C)C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000863343146 686481289 /nfs/dbraw/zinc/48/12/89/686481289.db2.gz RDZHRBLNRHUGRO-QGZVFWFLSA-N 1 0 302.374 2.178 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545371 686518723 /nfs/dbraw/zinc/51/87/23/686518723.db2.gz PVKRVZYFUVRQLV-GOEBONIOSA-N 1 0 321.440 2.455 20 10 DECDRO Cc1cn2c(nc(C[N@@H+](C)Cc3ccccc3O)cc2=O)s1 ZINC000929976381 694062234 /nfs/dbraw/zinc/06/22/34/694062234.db2.gz NXCLWLYSWJMASX-UHFFFAOYSA-N 1 0 315.398 2.402 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000866494060 687590587 /nfs/dbraw/zinc/59/05/87/687590587.db2.gz HODOLCFGLJYBHK-CQSZACIVSA-N 1 0 311.433 2.472 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000866494059 687590679 /nfs/dbraw/zinc/59/06/79/687590679.db2.gz HODOLCFGLJYBHK-AWEZNQCLSA-N 1 0 311.433 2.472 20 10 DECDRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Cl)ccc1O ZINC000866573218 687614235 /nfs/dbraw/zinc/61/42/35/687614235.db2.gz UXXATIORVAABEK-SECBINFHSA-N 1 0 320.842 2.011 20 10 DECDRO C[C@@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccccc1O ZINC000868489189 688032800 /nfs/dbraw/zinc/03/28/00/688032800.db2.gz RSAIOBJFVSYBLI-QWHCGFSZSA-N 1 0 303.406 2.403 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014295 688549464 /nfs/dbraw/zinc/54/94/64/688549464.db2.gz UTPAPMJKEDFKCV-GFCCVEGCSA-N 1 0 317.393 2.311 20 10 DECDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000872203675 688951431 /nfs/dbraw/zinc/95/14/31/688951431.db2.gz ABECDZNVHLEIPV-OALUTQOASA-N 1 0 316.445 2.064 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)[C@@H](O)CO2 ZINC000872721481 689074437 /nfs/dbraw/zinc/07/44/37/689074437.db2.gz JDPJRALDKJUNJM-HCKVZZMMSA-N 1 0 307.415 2.003 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCCC2)cc1Cn1cccn1 ZINC000873008033 689140051 /nfs/dbraw/zinc/14/00/51/689140051.db2.gz MQVAWWDHWBMDKT-UHFFFAOYSA-N 1 0 314.433 2.125 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)CC(C)C)cc1Cn1cccn1 ZINC000873020663 689142435 /nfs/dbraw/zinc/14/24/35/689142435.db2.gz ZNHZWVOTVWKLNC-QGZVFWFLSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873062770 689151654 /nfs/dbraw/zinc/15/16/54/689151654.db2.gz ZRLUPUZOTVARPE-GOEBONIOSA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1Cn1cccn1 ZINC000873063100 689152152 /nfs/dbraw/zinc/15/21/52/689152152.db2.gz JTTVMOPQHBGOGC-WBVHZDCISA-N 1 0 315.417 2.191 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000874457650 689418350 /nfs/dbraw/zinc/41/83/50/689418350.db2.gz QTLBTGCOZUPVPC-CQSZACIVSA-N 1 0 315.377 2.158 20 10 DECDRO CCC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876523514 689846185 /nfs/dbraw/zinc/84/61/85/689846185.db2.gz YMDCDSRSRTZUCJ-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO Cc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)c(O)c1 ZINC000876633495 689883160 /nfs/dbraw/zinc/88/31/60/689883160.db2.gz REGZTJQIOYIULF-UHFFFAOYSA-N 1 0 303.431 2.475 20 10 DECDRO COC(=O)CC[N@@H+](Cc1ccc(C)cc1O)C[C@@H]1CCCO1 ZINC000876744098 689924931 /nfs/dbraw/zinc/92/49/31/689924931.db2.gz OOEJZGVGQHDERY-HNNXBMFYSA-N 1 0 307.390 2.245 20 10 DECDRO CO[C@@]1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCOC1 ZINC000876943271 689978711 /nfs/dbraw/zinc/97/87/11/689978711.db2.gz OMGXTKMICZAUEH-QGZVFWFLSA-N 1 0 322.474 2.135 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CCC(C)C)C2)cc1 ZINC000876959779 689983339 /nfs/dbraw/zinc/98/33/39/689983339.db2.gz OZBLLFJNRQCBGI-YOEHRIQHSA-N 1 0 319.449 2.154 20 10 DECDRO Cc1ccc(C[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1 ZINC000877019584 689998886 /nfs/dbraw/zinc/99/88/86/689998886.db2.gz ZWJKQCQWMANMNB-UHFFFAOYSA-N 1 0 304.434 2.435 20 10 DECDRO Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000877031307 690001871 /nfs/dbraw/zinc/00/18/71/690001871.db2.gz POLPJDCEUKQLJA-QGZVFWFLSA-N 1 0 304.434 2.434 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000877520437 690139361 /nfs/dbraw/zinc/13/93/61/690139361.db2.gz XBCXHMSEYFUPHN-UHFFFAOYSA-N 1 0 324.380 2.477 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000877532002 690143500 /nfs/dbraw/zinc/14/35/00/690143500.db2.gz AZQSNUMATWZXDZ-YVEFUNNKSA-N 1 0 309.406 2.493 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)[C@H]1n1cccn1 ZINC000877555396 690150779 /nfs/dbraw/zinc/15/07/79/690150779.db2.gz WUQMAUCCLAADLJ-USXIJHARSA-N 1 0 301.390 2.405 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)[C@@H]1n1cccn1 ZINC000877555395 690150813 /nfs/dbraw/zinc/15/08/13/690150813.db2.gz WUQMAUCCLAADLJ-UAGQMJEPSA-N 1 0 301.390 2.405 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)cc2)CC1 ZINC000877637813 690175466 /nfs/dbraw/zinc/17/54/66/690175466.db2.gz MOXSIEGQCHQFCM-IAGOWNOFSA-N 1 0 316.445 2.116 20 10 DECDRO Cc1ccc(C[N@H+](C)CCN2CC3(C2)CCOCC3)c(O)c1 ZINC000877767075 690219747 /nfs/dbraw/zinc/21/97/47/690219747.db2.gz VCJSVCLVXVPYJB-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877923202 690261274 /nfs/dbraw/zinc/26/12/74/690261274.db2.gz KWMLXCGWXNPAJH-MAEOIBBWSA-N 1 0 304.434 2.380 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC000878359890 690387591 /nfs/dbraw/zinc/38/75/91/690387591.db2.gz DBGSHRCRNOUQBE-KGLIPLIRSA-N 1 0 323.433 2.498 20 10 DECDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000878420103 690402594 /nfs/dbraw/zinc/40/25/94/690402594.db2.gz LSDPXFXENPIVRA-AWEZNQCLSA-N 1 0 316.449 2.036 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000878455313 690412172 /nfs/dbraw/zinc/41/21/72/690412172.db2.gz WCZNUKFCEFLGSH-WMLDXEAASA-N 1 0 306.450 2.459 20 10 DECDRO CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037132302 690577141 /nfs/dbraw/zinc/57/71/41/690577141.db2.gz BBLLKBVYQCMNNS-OCCSQVGLSA-N 1 0 317.393 2.357 20 10 DECDRO COc1ccc(N2CC[NH+](CCCCCCO)CC2)c(OC)c1 ZINC000879462883 690646839 /nfs/dbraw/zinc/64/68/39/690646839.db2.gz VWMFFOAQLORVQC-UHFFFAOYSA-N 1 0 322.449 2.379 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879650254 690699053 /nfs/dbraw/zinc/69/90/53/690699053.db2.gz RVXXLNFUDWIWKX-QWHCGFSZSA-N 1 0 324.421 2.319 20 10 DECDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccccc1O ZINC000879651393 690699420 /nfs/dbraw/zinc/69/94/20/690699420.db2.gz TYNNEUQRWQMNIF-LBPRGKRZSA-N 1 0 319.405 2.201 20 10 DECDRO C[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccccc1O ZINC000879673901 690704085 /nfs/dbraw/zinc/70/40/85/690704085.db2.gz RXZSROSFMMPGNY-GFCCVEGCSA-N 1 0 317.393 2.033 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(F)CC2)cc1 ZINC000880242862 690848887 /nfs/dbraw/zinc/84/88/87/690848887.db2.gz OGXAAKPNPOHKMA-UHFFFAOYSA-N 1 0 307.413 2.145 20 10 DECDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881849751 691173360 /nfs/dbraw/zinc/17/33/60/691173360.db2.gz VVADMCBJFLNWAG-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO CC(C)[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850917 691173936 /nfs/dbraw/zinc/17/39/36/691173936.db2.gz KEMRJHUTISGMFE-HNNXBMFYSA-N 1 0 303.450 2.347 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3ccncc3N)CC2)cc1 ZINC000882958712 691397721 /nfs/dbraw/zinc/39/77/21/691397721.db2.gz INEGYBKDQLVQPY-UHFFFAOYSA-N 1 0 312.417 2.431 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCCC3)cc2)CC1 ZINC000883146398 691440819 /nfs/dbraw/zinc/44/08/19/691440819.db2.gz LTJWNBFBJNMUGE-UHFFFAOYSA-N 1 0 316.449 2.134 20 10 DECDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000883305665 691477774 /nfs/dbraw/zinc/47/77/74/691477774.db2.gz CDZGCGHPCZZJRE-CZUORRHYSA-N 1 0 310.463 2.371 20 10 DECDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000883305663 691477927 /nfs/dbraw/zinc/47/79/27/691477927.db2.gz CDZGCGHPCZZJRE-BBRMVZONSA-N 1 0 310.463 2.371 20 10 DECDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000883358351 691488232 /nfs/dbraw/zinc/48/82/32/691488232.db2.gz JDNDACGFKRVKHA-QGZVFWFLSA-N 1 0 314.433 2.124 20 10 DECDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193545 691678895 /nfs/dbraw/zinc/67/88/95/691678895.db2.gz INFZEELIAVEOAE-INIZCTEOSA-N 1 0 301.434 2.149 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000886341405 692061510 /nfs/dbraw/zinc/06/15/10/692061510.db2.gz UQXNNPTVPHTXPN-ZUMXRPEOSA-N 1 0 321.417 2.463 20 10 DECDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000886740792 692180440 /nfs/dbraw/zinc/18/04/40/692180440.db2.gz JAAHBQUAKGWPFB-OAHLLOKOSA-N 1 0 316.449 2.353 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000894093329 692977663 /nfs/dbraw/zinc/97/76/63/692977663.db2.gz DFHWKQRKFWUVAG-DZGCQCFKSA-N 1 0 318.417 2.200 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)CO ZINC000924759159 693182268 /nfs/dbraw/zinc/18/22/68/693182268.db2.gz FSHQVRRPBBCYTA-HNNXBMFYSA-N 1 0 320.477 2.392 20 10 DECDRO C[C@@H]1[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[N@@H+]1C ZINC000925328134 693257867 /nfs/dbraw/zinc/25/78/67/693257867.db2.gz UXIMIKXSDFMSDM-MLGOLLRUSA-N 1 0 317.433 2.163 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001331931708 1149781715 /nfs/dbraw/zinc/78/17/15/1149781715.db2.gz ANAKFXSUXMLPLY-LPWJVIDDSA-N 1 0 309.431 2.414 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)c1ccnn1C ZINC001332440176 1149860615 /nfs/dbraw/zinc/86/06/15/1149860615.db2.gz HJFVUIPKXUTKQO-XUJVJEKNSA-N 1 0 301.390 2.306 20 10 DECDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC001332697774 1149881454 /nfs/dbraw/zinc/88/14/54/1149881454.db2.gz MAVHSIXQJOOJQD-RHSMWYFYSA-N 1 0 301.386 2.309 20 10 DECDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334775345 1150341574 /nfs/dbraw/zinc/34/15/74/1150341574.db2.gz XASHZOHYJBHZRZ-QFIPXVFZSA-N 1 0 324.494 2.055 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC001335952313 1150568180 /nfs/dbraw/zinc/56/81/80/1150568180.db2.gz VORIQZGTZYKFSP-MRXNPFEDSA-N 1 0 318.465 2.330 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)[nH]n1 ZINC001349564039 1151261252 /nfs/dbraw/zinc/26/12/52/1151261252.db2.gz KDRFISMMKLOLIP-JTQLQIEISA-N 1 0 319.361 2.151 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1O ZINC001358046158 1152357978 /nfs/dbraw/zinc/35/79/78/1152357978.db2.gz NRAJRHZNHQOXKQ-CQSZACIVSA-N 1 0 306.406 2.137 20 10 DECDRO CC[NH+](CC)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001442670304 1182623440 /nfs/dbraw/zinc/62/34/40/1182623440.db2.gz XJKUKKVSOJQTQD-UHFFFAOYSA-N 1 0 320.433 2.221 20 10 DECDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001330614570 1149211795 /nfs/dbraw/zinc/21/17/95/1149211795.db2.gz KPIRRIGDAAGAMI-IBGZPJMESA-N 1 0 318.461 2.242 20 10 DECDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404132 777077224 /nfs/dbraw/zinc/07/72/24/777077224.db2.gz OHCZBGAAXFWPFQ-LEJCZOIISA-N 1 0 304.390 2.054 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)NCCC[NH+]1CCCCC1 ZINC000588405428 777080196 /nfs/dbraw/zinc/08/01/96/777080196.db2.gz NAQZOXAAJHJLJR-VURMDHGXSA-N 1 0 304.390 2.103 20 10 DECDRO CC[C@H](SC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125744856 777614874 /nfs/dbraw/zinc/61/48/74/777614874.db2.gz HOWUEDRBPNIVJI-HNNXBMFYSA-N 1 0 310.463 2.351 20 10 DECDRO Cc1cc(N(C)C)[nH+]cc1NCCc1cc(O)c(O)cc1O ZINC001168005217 779268808 /nfs/dbraw/zinc/26/88/08/779268808.db2.gz ATEMMHRTHQUXQM-UHFFFAOYSA-N 1 0 303.362 2.227 20 10 DECDRO C[C@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001204789628 779796791 /nfs/dbraw/zinc/79/67/91/779796791.db2.gz ABGIUXLVSUMPLK-INIZCTEOSA-N 1 0 309.841 2.100 20 10 DECDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001168236303 780483596 /nfs/dbraw/zinc/48/35/96/780483596.db2.gz VUDPTYWPICHQTI-AWEZNQCLSA-N 1 0 315.369 2.112 20 10 DECDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000948073650 783310789 /nfs/dbraw/zinc/31/07/89/783310789.db2.gz LTHUWGVRLXMXEG-SMDDNHRTSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc2c(c1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144499542 790933844 /nfs/dbraw/zinc/93/38/44/790933844.db2.gz HWYKXLXWOAFUNV-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001144499802 790934027 /nfs/dbraw/zinc/93/40/27/790934027.db2.gz JPEVAVSIRXKDIW-UHFFFAOYSA-N 1 0 318.348 2.265 20 10 DECDRO Cc1ccn2cc(C[N@@H+](C)Cc3c(O)cc(O)cc3O)nc2c1 ZINC001144520389 790939501 /nfs/dbraw/zinc/93/95/01/790939501.db2.gz OOGJXPNBWJINCQ-UHFFFAOYSA-N 1 0 313.357 2.392 20 10 DECDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509082 790940129 /nfs/dbraw/zinc/94/01/29/790940129.db2.gz KKVDSKWAOUVVQT-LLVKDONJSA-N 1 0 323.389 2.357 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC000968768348 784581848 /nfs/dbraw/zinc/58/18/48/784581848.db2.gz YIIKASUXJNPOJM-MRXNPFEDSA-N 1 0 313.401 2.336 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CO1 ZINC001169350885 785143191 /nfs/dbraw/zinc/14/31/91/785143191.db2.gz KYDBOSNOFPJXGO-CJNGLKHVSA-N 1 0 307.390 2.209 20 10 DECDRO Cc1nc(NCc2ccc(O)c(O)c2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001169991042 785787334 /nfs/dbraw/zinc/78/73/34/785787334.db2.gz WWMVMTZUHDEBBY-CYBMUJFWSA-N 1 0 314.389 2.275 20 10 DECDRO Cc1nccn1CC[NH2+]Cc1ccc(Br)cc1O ZINC000691463652 785813774 /nfs/dbraw/zinc/81/37/74/785813774.db2.gz OIKGECKCNIBMLA-UHFFFAOYSA-N 1 0 310.195 2.449 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cocc2C)cc1C ZINC001132486226 788098998 /nfs/dbraw/zinc/09/89/98/788098998.db2.gz OLSZOBGJCGWETD-UHFFFAOYSA-N 1 0 302.374 2.425 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(C)co2)cc1C ZINC001132647795 788155955 /nfs/dbraw/zinc/15/59/55/788155955.db2.gz XBQPEKVMLQJTLX-UHFFFAOYSA-N 1 0 302.374 2.425 20 10 DECDRO CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663961 791329018 /nfs/dbraw/zinc/32/90/18/791329018.db2.gz PFLHSZNLPUSFHH-WDEREUQCSA-N 1 0 305.382 2.355 20 10 DECDRO [NH3+][C@@H]1CCN(Cc2c(O)cccc2Br)CC[C@@H]1F ZINC001206172780 793473507 /nfs/dbraw/zinc/47/35/07/793473507.db2.gz BZFAFEYKTKMEPM-NWDGAFQWSA-N 1 0 317.202 2.416 20 10 DECDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001172772824 793498000 /nfs/dbraw/zinc/49/80/00/793498000.db2.gz OUWRNQZAWXEVNH-WCQYABFASA-N 1 0 323.389 2.057 20 10 DECDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(O)cc1O)CO2 ZINC001173152950 793609393 /nfs/dbraw/zinc/60/93/93/793609393.db2.gz LRGVRHFUWPNCRI-GFCCVEGCSA-N 1 0 301.342 2.200 20 10 DECDRO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1O ZINC001175419020 794204058 /nfs/dbraw/zinc/20/40/58/794204058.db2.gz RGUZEIMOEGJFCF-ZDUSSCGKSA-N 1 0 309.373 2.261 20 10 DECDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001116753257 794983850 /nfs/dbraw/zinc/98/38/50/794983850.db2.gz NVOJOLAQBSGSTM-NWDGAFQWSA-N 1 0 313.781 2.486 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001179690696 795154139 /nfs/dbraw/zinc/15/41/39/795154139.db2.gz VUPZYTIWEIRLKP-KSLFURFDSA-N 1 0 318.417 2.346 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c1O ZINC001119510684 795315233 /nfs/dbraw/zinc/31/52/33/795315233.db2.gz XTIJPOAPOAXTFU-CYBMUJFWSA-N 1 0 320.433 2.447 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206436599 795387582 /nfs/dbraw/zinc/38/75/82/795387582.db2.gz MYAOVUNNYQMXEO-RYUDHWBXSA-N 1 0 317.202 2.334 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CSCCS2)c(O)c1OC ZINC001120035621 795396053 /nfs/dbraw/zinc/39/60/53/795396053.db2.gz YTCPTDNHBILTOA-LLVKDONJSA-N 1 0 315.460 2.348 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001120658286 795508608 /nfs/dbraw/zinc/50/86/08/795508608.db2.gz NIUQVSILHJALJF-HIFRSBDPSA-N 1 0 305.422 2.441 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001181976435 795586505 /nfs/dbraw/zinc/58/65/05/795586505.db2.gz HVZDVIXYVZIWJF-CQSZACIVSA-N 1 0 318.417 2.103 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)Cc1csc(C[NH3+])n1 ZINC001121862744 795697382 /nfs/dbraw/zinc/69/73/82/795697382.db2.gz PJPLJARGXWVWJF-UHFFFAOYSA-N 1 0 319.430 2.289 20 10 DECDRO COCC[N@H+]1[C@H](C)CN(Cc2cc(F)c(F)cc2O)C[C@@H]1C ZINC001182573738 795708819 /nfs/dbraw/zinc/70/88/19/795708819.db2.gz CFKMOPHYTCMPAJ-TXEJJXNPSA-N 1 0 314.376 2.211 20 10 DECDRO Nc1ccc(CC(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc1 ZINC001122247671 795739106 /nfs/dbraw/zinc/73/91/06/795739106.db2.gz JSBIQEXWQNCIGW-OAHLLOKOSA-N 1 0 309.413 2.366 20 10 DECDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127110 796166936 /nfs/dbraw/zinc/16/69/36/796166936.db2.gz PDMKSPKKHNNTIQ-LBPRGKRZSA-N 1 0 305.353 2.006 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@H](COC)C2)c(OC)c1 ZINC001138390107 796211285 /nfs/dbraw/zinc/21/12/85/796211285.db2.gz NWBDYJOYKGMGPF-KRWDZBQOSA-N 1 0 322.449 2.389 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC001138500506 796228532 /nfs/dbraw/zinc/22/85/32/796228532.db2.gz YFRHFGHZJHOFAS-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO CCOc1cccc(CN2CC[NH+](CCCCOC)CC2)c1O ZINC001203617125 796256080 /nfs/dbraw/zinc/25/60/80/796256080.db2.gz ILNGSHUWIGBGBQ-UHFFFAOYSA-N 1 0 322.449 2.335 20 10 DECDRO COc1cc(CN2CCC(=O)[C@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001139255741 796349879 /nfs/dbraw/zinc/34/98/79/796349879.db2.gz RVVZWKIALHAVEE-CYBMUJFWSA-N 1 0 320.433 2.263 20 10 DECDRO Cc1cc(C[NH+]2CCN(c3cncnc3)CC2)ccc1N(C)C ZINC001139674052 796408896 /nfs/dbraw/zinc/40/88/96/796408896.db2.gz PBCRPPOFLWVLPX-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)C1CCC1 ZINC001140060108 796471825 /nfs/dbraw/zinc/47/18/25/796471825.db2.gz KUSYZCOEGLSYKW-OAHLLOKOSA-N 1 0 306.381 2.412 20 10 DECDRO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140098646 796477451 /nfs/dbraw/zinc/47/74/51/796477451.db2.gz JMZZZRGSDSHNSQ-DGCLKSJQSA-N 1 0 318.186 2.450 20 10 DECDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282563 796501882 /nfs/dbraw/zinc/50/18/82/796501882.db2.gz DVITYCPEARIUBR-LJQANCHMSA-N 1 0 318.461 2.385 20 10 DECDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140342598 796510805 /nfs/dbraw/zinc/51/08/05/796510805.db2.gz QJFSTPIQYAQJMH-RISCZKNCSA-N 1 0 308.809 2.488 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1 ZINC001140620122 796546798 /nfs/dbraw/zinc/54/67/98/796546798.db2.gz CUVMVQYHZYMSJO-QKDCVEJESA-N 1 0 314.429 2.437 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC001140742754 796565955 /nfs/dbraw/zinc/56/59/55/796565955.db2.gz XUWZUHINWZKQRS-UHFFFAOYSA-N 1 0 305.296 2.295 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCN(c3ncccc3F)CC2)c1O ZINC001140749554 796567380 /nfs/dbraw/zinc/56/73/80/796567380.db2.gz DTOMMJWIDXVVDU-UHFFFAOYSA-N 1 0 317.364 2.263 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c(O)c1 ZINC001140850720 796583055 /nfs/dbraw/zinc/58/30/55/796583055.db2.gz RSGKKSCWNHMWDG-AWEZNQCLSA-N 1 0 306.406 2.233 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c(O)c1 ZINC001140952305 796606370 /nfs/dbraw/zinc/60/63/70/796606370.db2.gz MGVQNFUBKNOZMW-GOSISDBHSA-N 1 0 310.401 2.345 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141026451 796620385 /nfs/dbraw/zinc/62/03/85/796620385.db2.gz QNZCROKDVGXMLS-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001141030770 796620931 /nfs/dbraw/zinc/62/09/31/796620931.db2.gz KKUAHDBPVJJTLQ-OLZOCXBDSA-N 1 0 306.406 2.078 20 10 DECDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074913 796631597 /nfs/dbraw/zinc/63/15/97/796631597.db2.gz WQONOOBVWIGGDA-KRWDZBQOSA-N 1 0 313.445 2.083 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@]1(C)O ZINC001141141047 796638861 /nfs/dbraw/zinc/63/88/61/796638861.db2.gz SNBJGGOIUCTQQD-KSSFIOAISA-N 1 0 304.434 2.498 20 10 DECDRO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141145562 796639705 /nfs/dbraw/zinc/63/97/05/796639705.db2.gz VUFFLGIKHFBQSW-CQSZACIVSA-N 1 0 314.389 2.196 20 10 DECDRO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141159391 796641916 /nfs/dbraw/zinc/64/19/16/796641916.db2.gz FWHYDLIXSPJODI-UHFFFAOYSA-N 1 0 322.405 2.444 20 10 DECDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158732 796642542 /nfs/dbraw/zinc/64/25/42/796642542.db2.gz LNMGMMZFILTPRE-SFHVURJKSA-N 1 0 318.417 2.321 20 10 DECDRO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141161141 796643345 /nfs/dbraw/zinc/64/33/45/796643345.db2.gz ATHPOIMZFMNRAJ-UHFFFAOYSA-N 1 0 322.405 2.444 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1C[C@H]1C ZINC000840722747 796703779 /nfs/dbraw/zinc/70/37/79/796703779.db2.gz KRABWVDRACTWDO-KEYYUXOJSA-N 1 0 322.474 2.056 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000840722742 796703856 /nfs/dbraw/zinc/70/38/56/796703856.db2.gz KRABWVDRACTWDO-JKIFEVAISA-N 1 0 322.474 2.056 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143117199 796803496 /nfs/dbraw/zinc/80/34/96/796803496.db2.gz XBSYQKKHVLCTQW-UHFFFAOYSA-N 1 0 321.417 2.190 20 10 DECDRO CN1CCc2c1cccc2C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001154157140 797475117 /nfs/dbraw/zinc/47/51/17/797475117.db2.gz SXLRBSQJPHPTPG-UHFFFAOYSA-N 1 0 322.412 2.126 20 10 DECDRO COc1cc(Cl)cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205789176 798120380 /nfs/dbraw/zinc/12/03/80/798120380.db2.gz XGXZCCUMTWJYHC-SNVBAGLBSA-N 1 0 320.767 2.470 20 10 DECDRO OC[C@@H](CC(F)F)[NH2+]Cc1cc(Br)ccc1O ZINC000717735808 799430561 /nfs/dbraw/zinc/43/05/61/799430561.db2.gz PTDMUNWAXQBEDQ-SECBINFHSA-N 1 0 310.138 2.260 20 10 DECDRO Cc1c(CN2CCO[C@H](C[NH+](C)C)C2)c2ccccc2n1C ZINC001138252459 799805233 /nfs/dbraw/zinc/80/52/33/799805233.db2.gz HXAOKQAHYMKVHV-OAHLLOKOSA-N 1 0 301.434 2.249 20 10 DECDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccccc1O)C2 ZINC001203552938 800079626 /nfs/dbraw/zinc/07/96/26/800079626.db2.gz VUMBFELFXKGBGD-UHFFFAOYSA-N 1 0 314.433 2.445 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560837 800080051 /nfs/dbraw/zinc/08/00/51/800080051.db2.gz HJDUVUSURBDXDM-KBPBESRZSA-N 1 0 304.390 2.443 20 10 DECDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC001203585113 800084069 /nfs/dbraw/zinc/08/40/69/800084069.db2.gz LXBYMFLSGVVEDL-OAHLLOKOSA-N 1 0 320.433 2.481 20 10 DECDRO COc1cccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1O ZINC001203591185 800085640 /nfs/dbraw/zinc/08/56/40/800085640.db2.gz DGNNORPDVWBOLQ-UHFFFAOYSA-N 1 0 304.390 2.036 20 10 DECDRO COc1cccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1O ZINC001203596823 800086351 /nfs/dbraw/zinc/08/63/51/800086351.db2.gz NWEAVHWDKOGFII-UHFFFAOYSA-N 1 0 306.406 2.124 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1O ZINC001203617354 800091551 /nfs/dbraw/zinc/09/15/51/800091551.db2.gz OOEVYZWLYUFUAG-CQSZACIVSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c(O)c1 ZINC001203627493 800094215 /nfs/dbraw/zinc/09/42/15/800094215.db2.gz GZOUBGHLVPGMQZ-UHFFFAOYSA-N 1 0 306.406 2.137 20 10 DECDRO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204278131 800199575 /nfs/dbraw/zinc/19/95/75/800199575.db2.gz VIBUZFZTKUQEHM-UHFFFAOYSA-N 1 0 322.405 2.444 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC001204714076 800249436 /nfs/dbraw/zinc/24/94/36/800249436.db2.gz MFGUDLLRFJORNF-UHFFFAOYSA-N 1 0 320.433 2.400 20 10 DECDRO C[C@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001204801281 800259217 /nfs/dbraw/zinc/25/92/17/800259217.db2.gz MRCNYUYHFQLPCV-INIZCTEOSA-N 1 0 309.841 2.100 20 10 DECDRO CCOC(=O)c1c(CN2CC[C@@H]([NH3+])[C@H]2C)c2ccccc2n1C ZINC001205197660 800313944 /nfs/dbraw/zinc/31/39/44/800313944.db2.gz YLQGMGAMDLZSEX-IUODEOHRSA-N 1 0 315.417 2.277 20 10 DECDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205239476 800327688 /nfs/dbraw/zinc/32/76/88/800327688.db2.gz BZOJCXPXPBDSST-CQSZACIVSA-N 1 0 318.339 2.087 20 10 DECDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001206361006 800517863 /nfs/dbraw/zinc/51/78/63/800517863.db2.gz CUENAQXWNLOOIF-AWEZNQCLSA-N 1 0 302.777 2.404 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@H](O)C2)cc1Cl ZINC001210476101 801408826 /nfs/dbraw/zinc/40/88/26/801408826.db2.gz RMZAYOUKEZVHHG-LBPRGKRZSA-N 1 0 312.841 2.109 20 10 DECDRO C[NH2+]Cc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001211139178 801517315 /nfs/dbraw/zinc/51/73/15/801517315.db2.gz ZOWVONPLXQCRBD-UHFFFAOYSA-N 1 0 305.403 2.086 20 10 DECDRO COc1cc(C[NH+]2CCC(c3noc(C)n3)CC2)c(O)cc1O ZINC001231636571 801699922 /nfs/dbraw/zinc/69/99/22/801699922.db2.gz YIBPXOQWPRTDSZ-UHFFFAOYSA-N 1 0 319.361 2.177 20 10 DECDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231637383 801700667 /nfs/dbraw/zinc/70/06/67/801700667.db2.gz LOXRXBFZTFTNNB-GFCCVEGCSA-N 1 0 323.389 2.272 20 10 DECDRO Clc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232195679 801815156 /nfs/dbraw/zinc/81/51/56/801815156.db2.gz XQUKDAGKUQHEIS-GASCZTMLSA-N 1 0 322.836 2.255 20 10 DECDRO COc1cc(O)c(CN2CCO[C@]3(CCOC3)C2)cc1Cl ZINC001232266675 801833523 /nfs/dbraw/zinc/83/35/23/801833523.db2.gz QYPHELGSSOSQEC-OAHLLOKOSA-N 1 0 313.781 2.046 20 10 DECDRO COC[C@@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232403184 801870659 /nfs/dbraw/zinc/87/06/59/801870659.db2.gz WIZQFGXIUPMCOK-CYBMUJFWSA-N 1 0 316.401 2.433 20 10 DECDRO COC(=O)c1c(C[N@H+](C)[C@H]2CCOC2)c2ccccc2n1C ZINC001232403658 801873068 /nfs/dbraw/zinc/87/30/68/801873068.db2.gz ARDSRNGLROFDBV-LBPRGKRZSA-N 1 0 302.374 2.186 20 10 DECDRO Oc1cc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001233018524 802004090 /nfs/dbraw/zinc/00/40/90/802004090.db2.gz XTKYRYCHASIXCK-KBPBESRZSA-N 1 0 324.396 2.202 20 10 DECDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)CC[C@@H]21 ZINC001233336371 802080742 /nfs/dbraw/zinc/08/07/42/802080742.db2.gz JPAIWHSFHYAHMC-GWCFXTLKSA-N 1 0 310.344 2.113 20 10 DECDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416482 802111522 /nfs/dbraw/zinc/11/15/22/802111522.db2.gz JXAMFHUNOUYGFA-AWEZNQCLSA-N 1 0 314.307 2.123 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccncc3)CC2)cc1O ZINC001233483291 802126840 /nfs/dbraw/zinc/12/68/40/802126840.db2.gz UPSLHRXEIZXRNQ-UHFFFAOYSA-N 1 0 316.357 2.242 20 10 DECDRO Cc1ccnn1C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487288 802128810 /nfs/dbraw/zinc/12/88/10/802128810.db2.gz XTINHCWQORZGAG-UHFFFAOYSA-N 1 0 303.362 2.145 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1O ZINC001233726274 802190893 /nfs/dbraw/zinc/19/08/93/802190893.db2.gz BOMTZSXPUMWPIR-KOLCDFICSA-N 1 0 305.296 2.494 20 10 DECDRO Cc1cc(CN2CC3(C2)C[NH2+]CCO3)c(C)n1-c1ccccc1 ZINC001222441820 802686488 /nfs/dbraw/zinc/68/64/88/802686488.db2.gz SBVXMUFPFNDITB-UHFFFAOYSA-N 1 0 311.429 2.268 20 10 DECDRO CCC1([NH3+])CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001331383542 1149433269 /nfs/dbraw/zinc/43/32/69/1149433269.db2.gz GARPBULRAVCWBE-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCCCC1 ZINC001335368657 1150401151 /nfs/dbraw/zinc/40/11/51/1150401151.db2.gz RIFVAAKAXCAFFQ-AWEZNQCLSA-N 1 0 304.438 2.190 20 10 DECDRO CC(C)C[NH2+]CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001328525013 1148806423 /nfs/dbraw/zinc/80/64/23/1148806423.db2.gz OHBHPHJSWMVHPW-MRXNPFEDSA-N 1 0 320.433 2.145 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603655793 1070024797 /nfs/dbraw/zinc/02/47/97/1070024797.db2.gz ARJWKJSZCFONDV-ZJUUUORDSA-N 1 0 305.407 2.119 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C)CCN2C)c(Cl)c1 ZINC001474717164 1060923977 /nfs/dbraw/zinc/92/39/77/1060923977.db2.gz YDCTUXKLOJUCDI-DOMZBBRYSA-N 1 0 311.857 2.078 20 10 DECDRO CC[C@@H](OC)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568984532 1065227163 /nfs/dbraw/zinc/22/71/63/1065227163.db2.gz RGQOIJGTENEENQ-UKRRQHHQSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)OC)cc1C ZINC001496019363 1065232335 /nfs/dbraw/zinc/23/23/35/1065232335.db2.gz ZDLFSFGURQGDSC-HUUCEWRRSA-N 1 0 322.449 2.365 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575545673 1066346131 /nfs/dbraw/zinc/34/61/31/1066346131.db2.gz POJWZKITVMZLLS-SNVBAGLBSA-N 1 0 308.403 2.416 20 10 DECDRO CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC[NH2+]CC1 ZINC001576517451 1066627298 /nfs/dbraw/zinc/62/72/98/1066627298.db2.gz FPTRXOXOHDUGGN-UHFFFAOYSA-N 1 0 320.414 2.432 20 10 DECDRO C[NH+](C)CC1(C(=O)NCc2cc(O)ccc2O)CCCCC1 ZINC001637126263 1078504064 /nfs/dbraw/zinc/50/40/64/1078504064.db2.gz QQGRAARAEAWKTL-UHFFFAOYSA-N 1 0 306.406 2.226 20 10 DECDRO C[N@H+](CCC(=O)NCc1c(O)cccc1O)C1CCCCC1 ZINC001639292731 1078605882 /nfs/dbraw/zinc/60/58/82/1078605882.db2.gz OEBTWOSEZGAUBT-UHFFFAOYSA-N 1 0 306.406 2.369 20 10 DECDRO COC(=O)[C@]1(C[NH2+]Cc2c(C)c3ccccc3n2C)CCOC1 ZINC001560624226 1075143532 /nfs/dbraw/zinc/14/35/32/1075143532.db2.gz GYANPEKLPGHYEE-SFHVURJKSA-N 1 0 316.401 2.156 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)SC)C2)cc1C ZINC001566782489 1075342615 /nfs/dbraw/zinc/34/26/15/1075342615.db2.gz ACUWFNSNFMSJKA-QEJZJMRPSA-N 1 0 322.474 2.492 20 10 DECDRO COCC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001566979185 1075406796 /nfs/dbraw/zinc/40/67/96/1075406796.db2.gz DXOSTDDVGHILFA-UHFFFAOYSA-N 1 0 320.433 2.167 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001587215350 1076414421 /nfs/dbraw/zinc/41/44/21/1076414421.db2.gz SLHFWBRXKLRIIY-HNNXBMFYSA-N 1 0 314.385 2.059 20 10 DECDRO COC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCC1 ZINC001652180740 1079857820 /nfs/dbraw/zinc/85/78/20/1079857820.db2.gz ARGXIVYJSOVIPF-UHFFFAOYSA-N 1 0 323.389 2.232 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC001653047438 1079910635 /nfs/dbraw/zinc/91/06/35/1079910635.db2.gz FZVBDILSAISLMD-REMYHPOOSA-N 1 0 319.424 2.301 20 10 DECDRO CC[N@H+](Cc1cc(F)ccc1O)Cc1c(O)c(C)ncc1CO ZINC001653131807 1079914410 /nfs/dbraw/zinc/91/44/10/1079914410.db2.gz QRTYYWRIYNREIV-UHFFFAOYSA-N 1 0 320.364 2.455 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c(O)c1 ZINC001653180814 1079916036 /nfs/dbraw/zinc/91/60/36/1079916036.db2.gz DFUXYDWMZVRHCJ-HNNXBMFYSA-N 1 0 320.389 2.030 20 10 DECDRO COc1cc(O)c(CN2C[C@H](F)C[C@H](CO)C2)c(Cl)c1 ZINC001236797280 1079942628 /nfs/dbraw/zinc/94/26/28/1079942628.db2.gz DMRJIVLDWFZWNV-VHSXEESVSA-N 1 0 303.761 2.207 20 10 DECDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657043364 1080149463 /nfs/dbraw/zinc/14/94/63/1080149463.db2.gz RCCXXPLUAKOAAK-CQSZACIVSA-N 1 0 309.429 2.092 20 10 DECDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001661121439 1080444180 /nfs/dbraw/zinc/44/41/80/1080444180.db2.gz QQRVFXFGZNLHKF-GOSISDBHSA-N 1 0 306.450 2.410 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCOC[C@H]2C)cc1 ZINC001661317373 1080470182 /nfs/dbraw/zinc/47/01/82/1080470182.db2.gz IAVMMSODSJOKGU-MRXNPFEDSA-N 1 0 305.466 2.343 20 10 DECDRO CCc1nncn1CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC001662251452 1080587285 /nfs/dbraw/zinc/58/72/85/1080587285.db2.gz HTCRMXQOHQZHNT-UHFFFAOYSA-N 1 0 301.438 2.477 20 10 DECDRO COC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC001648950534 1080825151 /nfs/dbraw/zinc/82/51/51/1080825151.db2.gz ACNSQRFFBXWSEZ-UHFFFAOYSA-N 1 0 317.433 2.389 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC001664746919 1080954680 /nfs/dbraw/zinc/95/46/80/1080954680.db2.gz QLLJITRJTGKRCW-DYVFJYSZSA-N 1 0 317.389 2.144 20 10 DECDRO COc1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)cc1C ZINC001276925633 1083682667 /nfs/dbraw/zinc/68/26/67/1083682667.db2.gz FGTTUIQQYFKFIK-UHFFFAOYSA-N 1 0 324.371 2.397 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277192788 1083839833 /nfs/dbraw/zinc/83/98/33/1083839833.db2.gz TTYGBGFPVJJLIQ-YJBOKZPZSA-N 1 0 318.417 2.178 20 10 DECDRO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277209381 1083845918 /nfs/dbraw/zinc/84/59/18/1083845918.db2.gz GRNGMSHBZKDKHB-KRWDZBQOSA-N 1 0 313.445 2.197 20 10 DECDRO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277209382 1083847143 /nfs/dbraw/zinc/84/71/43/1083847143.db2.gz GRNGMSHBZKDKHB-QGZVFWFLSA-N 1 0 313.445 2.197 20 10 DECDRO CCN(C(=O)[C@H]1CC12C[NH+](Cc1ccccc1O)C2)C(C)C ZINC001277441173 1083970938 /nfs/dbraw/zinc/97/09/38/1083970938.db2.gz IGXCNJBGMADQTK-OAHLLOKOSA-N 1 0 302.418 2.471 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c(O)c1 ZINC001272765956 1083978317 /nfs/dbraw/zinc/97/83/17/1083978317.db2.gz LWLKAJMTDVXPQK-KRWDZBQOSA-N 1 0 324.371 2.390 20 10 DECDRO C=CC(=O)OC[C@@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657947 1084190694 /nfs/dbraw/zinc/19/06/94/1084190694.db2.gz NQZXKENIBPYOSU-OAHLLOKOSA-N 1 0 318.417 2.325 20 10 DECDRO Oc1c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc2c3c1CCCN3CCC2 ZINC001235078729 1084302208 /nfs/dbraw/zinc/30/22/08/1084302208.db2.gz TWIVOIWXHWHRQA-IAGOWNOFSA-N 1 0 313.445 2.027 20 10 DECDRO CN1CCOc2cc(CN3CCCC[C@]34CC[NH2+]C4)ccc21 ZINC001235119475 1084316614 /nfs/dbraw/zinc/31/66/14/1084316614.db2.gz KEZHVMMFAPBTRO-GOSISDBHSA-N 1 0 301.434 2.233 20 10 DECDRO CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2ccc(O)c(O)c2)C1=O ZINC001272903421 1084455486 /nfs/dbraw/zinc/45/54/86/1084455486.db2.gz SYSDUBMUOVNMNZ-ACJLOTCBSA-N 1 0 318.417 2.463 20 10 DECDRO CC[C@@H]1C[NH2+]CCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001235771445 1084522919 /nfs/dbraw/zinc/52/29/19/1084522919.db2.gz LDYYCNNVBSCTBE-MRXNPFEDSA-N 1 0 315.461 2.275 20 10 DECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001235996306 1084585899 /nfs/dbraw/zinc/58/58/99/1084585899.db2.gz WPMXVAMNLDVIFJ-RNCFNFMXSA-N 1 0 302.296 2.214 20 10 DECDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001272982446 1085779009 /nfs/dbraw/zinc/77/90/09/1085779009.db2.gz ISENVJUFXDSWIF-DAXOMENPSA-N 1 0 318.417 2.462 20 10 DECDRO Cc1c(O)ccc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c1O ZINC001276117906 1091554868 /nfs/dbraw/zinc/55/48/68/1091554868.db2.gz FAOZOLLJLTUQMX-UHFFFAOYSA-N 1 0 302.418 2.466 20 10 DECDRO Cc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c(O)c1 ZINC001276168632 1091627869 /nfs/dbraw/zinc/62/78/69/1091627869.db2.gz HCYNRTPMNYDCEE-GOEBONIOSA-N 1 0 317.433 2.325 20 10 DECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c1 ZINC001275311792 1091663554 /nfs/dbraw/zinc/66/35/54/1091663554.db2.gz NURXFOHACWCSCI-CALCHBBNSA-N 1 0 312.417 2.273 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c1O ZINC001275965482 1092389067 /nfs/dbraw/zinc/38/90/67/1092389067.db2.gz HFXOJDVFZVBYRI-UHFFFAOYSA-N 1 0 312.417 2.050 20 10 DECDRO Oc1ccc(OCc2ccccc2)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236287519 1138346284 /nfs/dbraw/zinc/34/62/84/1138346284.db2.gz DTTOGEZPMHFKGS-AEFFLSMTSA-N 1 0 310.397 2.375 20 10 DECDRO Oc1ccc(OCc2ccccc2)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236287522 1138346380 /nfs/dbraw/zinc/34/63/80/1138346380.db2.gz DTTOGEZPMHFKGS-SJLPKXTDSA-N 1 0 310.397 2.375 20 10 DECDRO COc1ccc(N2CCN(C[C@@H]3CCCC[NH2+]3)CC2)c(C)c1 ZINC001236367305 1138356465 /nfs/dbraw/zinc/35/64/65/1138356465.db2.gz NCCVSCCARPQWMQ-INIZCTEOSA-N 1 0 303.450 2.268 20 10 DECDRO C[C@@H]1CN(Cc2cc(O)c(Br)cc2O)C[C@H](C)[NH2+]1 ZINC001236577793 1138378069 /nfs/dbraw/zinc/37/80/69/1138378069.db2.gz AKFVRDWNEHBEFU-DTORHVGOSA-N 1 0 315.211 2.043 20 10 DECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236766961 1138420431 /nfs/dbraw/zinc/42/04/31/1138420431.db2.gz JYIHMWQJGMAZOC-BDAKNGLRSA-N 1 0 316.195 2.063 20 10 DECDRO CN(CCC[NH+](C)C)Cc1cc(O)c(Br)cc1O ZINC001236774294 1138424505 /nfs/dbraw/zinc/42/45/05/1138424505.db2.gz ZOBHQHMXCKELIM-UHFFFAOYSA-N 1 0 317.227 2.244 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001236808772 1138435224 /nfs/dbraw/zinc/43/52/24/1138435224.db2.gz BVVILHJEIBWYBE-GOSISDBHSA-N 1 0 318.417 2.344 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)[C@H]1C ZINC001236810391 1138435867 /nfs/dbraw/zinc/43/58/67/1138435867.db2.gz FMKLKEJTRHAPAT-JSGCOSHPSA-N 1 0 307.390 2.483 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001236813044 1138437103 /nfs/dbraw/zinc/43/71/03/1138437103.db2.gz FPULYFSYQDORRR-ZDUSSCGKSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001236822060 1138439480 /nfs/dbraw/zinc/43/94/80/1138439480.db2.gz XPJWYUACVSIAFD-QGZVFWFLSA-N 1 0 305.374 2.381 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001236930357 1138459506 /nfs/dbraw/zinc/45/95/06/1138459506.db2.gz MPEDKFJJLUUSIE-INIZCTEOSA-N 1 0 321.852 2.067 20 10 DECDRO C[NH+](C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236929762 1138459600 /nfs/dbraw/zinc/45/96/00/1138459600.db2.gz TWRSIPMIWSRWON-INIZCTEOSA-N 1 0 323.868 2.313 20 10 DECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054278 1138490676 /nfs/dbraw/zinc/49/06/76/1138490676.db2.gz YGBCODCDJIAVAO-MWLCHTKSSA-N 1 0 305.296 2.288 20 10 DECDRO COC(C[N@H+](C)Cc1c(O)cccc1OC(F)(F)F)OC ZINC001237121967 1138507826 /nfs/dbraw/zinc/50/78/26/1138507826.db2.gz CZFHRIMSKCWTQJ-UHFFFAOYSA-N 1 0 309.284 2.342 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC001237201819 1138529176 /nfs/dbraw/zinc/52/91/76/1138529176.db2.gz BVGFAYFHJQGWAB-UHFFFAOYSA-N 1 0 310.463 2.152 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2c(C)cccc2O)Cc2cn(C)nc21 ZINC001237484847 1138652131 /nfs/dbraw/zinc/65/21/31/1138652131.db2.gz BIQXYZIWALSIET-AWEZNQCLSA-N 1 0 301.390 2.180 20 10 DECDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237494338 1138657364 /nfs/dbraw/zinc/65/73/64/1138657364.db2.gz HJWLGQYUIDJFGQ-OAHLLOKOSA-N 1 0 320.433 2.160 20 10 DECDRO O=C1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]2CCCN12 ZINC001237624272 1138721057 /nfs/dbraw/zinc/72/10/57/1138721057.db2.gz ROSXBBMHICSQIQ-LBPRGKRZSA-N 1 0 312.772 2.381 20 10 DECDRO CC(=O)N1CCC2(C[NH+](Cc3cc(Cl)cc(C)c3O)C2)C1 ZINC001237687712 1138758783 /nfs/dbraw/zinc/75/87/83/1138758783.db2.gz SXEVUKXRWAMTFF-UHFFFAOYSA-N 1 0 308.809 2.408 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CCCN(c3ncccn3)CC2)c1O ZINC001238061415 1138819340 /nfs/dbraw/zinc/81/93/40/1138819340.db2.gz HUKHZTVOJPHLSP-UHFFFAOYSA-N 1 0 316.380 2.342 20 10 DECDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001278254690 1138860465 /nfs/dbraw/zinc/86/04/65/1138860465.db2.gz DMHIPEIZLMATEU-DRXBFXEBSA-N 1 0 306.381 2.078 20 10 DECDRO c1ccc(N2CC=C(c3cnc(N4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001241352604 1139797667 /nfs/dbraw/zinc/79/76/67/1139797667.db2.gz YZAGSXBDKUITQD-UHFFFAOYSA-N 1 0 321.428 2.180 20 10 DECDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)c1O ZINC001278355743 1140053794 /nfs/dbraw/zinc/05/37/94/1140053794.db2.gz XJXGPWIWIYEWFE-UHFFFAOYSA-N 1 0 324.371 2.403 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccc[nH]2)cc1C ZINC001319155877 1140515151 /nfs/dbraw/zinc/51/51/51/1140515151.db2.gz LAMMJBNVNZVALV-ZDUSSCGKSA-N 1 0 315.417 2.487 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CCC(C)(OC)CC2)c(O)c1 ZINC001249172223 1141856435 /nfs/dbraw/zinc/85/64/35/1141856435.db2.gz JSYMALKSKHVEAU-UHFFFAOYSA-N 1 0 307.390 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CCC(SC)CC2)c(O)c1 ZINC001249201287 1141858817 /nfs/dbraw/zinc/85/88/17/1141858817.db2.gz MWKKSTDTGRRFIP-UHFFFAOYSA-N 1 0 309.431 2.435 20 10 DECDRO Nc1ncc(CN2CCc3cccc(O)c3C2)c(C(F)(F)F)n1 ZINC001249395717 1141881261 /nfs/dbraw/zinc/88/12/61/1141881261.db2.gz RQMNCKUGASLWAE-UHFFFAOYSA-N 1 0 324.306 2.342 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC001336859315 1142602160 /nfs/dbraw/zinc/60/21/60/1142602160.db2.gz QFQIHBNJFZJZCC-WXYCVUISSA-N 1 0 302.422 2.006 20 10 DECDRO CCCCOC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252514097 1142743600 /nfs/dbraw/zinc/74/36/00/1142743600.db2.gz BIQUTQYAQRFJMZ-HNNXBMFYSA-N 1 0 309.406 2.024 20 10 DECDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC001252640898 1142801414 /nfs/dbraw/zinc/80/14/14/1142801414.db2.gz XZFGTRWXORFJKY-HNNXBMFYSA-N 1 0 305.374 2.385 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC001338791892 1142878943 /nfs/dbraw/zinc/87/89/43/1142878943.db2.gz BNXRFRSUXYACCN-INIZCTEOSA-N 1 0 316.449 2.190 20 10 DECDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253699274 1142893587 /nfs/dbraw/zinc/89/35/87/1142893587.db2.gz JYWGAGVGWUXWAZ-MRXNPFEDSA-N 1 0 320.433 2.079 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001339414450 1143027955 /nfs/dbraw/zinc/02/79/55/1143027955.db2.gz NHRZXXNCGSOGMV-KRWDZBQOSA-N 1 0 316.449 2.132 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254833586 1143330528 /nfs/dbraw/zinc/33/05/28/1143330528.db2.gz PTOKPXYHSLEBFZ-SFHVURJKSA-N 1 0 315.461 2.097 20 10 DECDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC001254916132 1143358694 /nfs/dbraw/zinc/35/86/94/1143358694.db2.gz WEGHHCBMYSSGBY-FVQHAEBGSA-N 1 0 314.429 2.371 20 10 DECDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255336933 1143561924 /nfs/dbraw/zinc/56/19/24/1143561924.db2.gz GDUUDDUCDBRWFM-KGLIPLIRSA-N 1 0 307.390 2.352 20 10 DECDRO COc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001256620734 1143857724 /nfs/dbraw/zinc/85/77/24/1143857724.db2.gz BGEWVARYFFTTSN-JWTNVVGKSA-N 1 0 315.461 2.442 20 10 DECDRO CCOC(=O)CCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258103910 1143971801 /nfs/dbraw/zinc/97/18/01/1143971801.db2.gz CQFACGSIILAKQZ-NSHDSACASA-N 1 0 311.378 2.057 20 10 DECDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCC[C@H](C)C1 ZINC001258806747 1144042679 /nfs/dbraw/zinc/04/26/79/1144042679.db2.gz BKJXDHROJVTYLU-UBHSHLNASA-N 1 0 307.390 2.350 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001262560574 1144319211 /nfs/dbraw/zinc/31/92/11/1144319211.db2.gz UTTWDDDEWGQDHN-SFHVURJKSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001308323028 1147466658 /nfs/dbraw/zinc/46/66/58/1147466658.db2.gz ZSERWSFCPAPRTG-BEFAXECRSA-N 1 0 315.461 2.096 20 10 DECDRO NC(=O)CC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324715886 1147835342 /nfs/dbraw/zinc/83/53/42/1147835342.db2.gz BRJBVCOXYYCHCA-UHFFFAOYSA-N 1 0 301.434 2.374 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001326534470 1148133621 /nfs/dbraw/zinc/13/36/21/1148133621.db2.gz LVDAQWTVAQUJGQ-LLVKDONJSA-N 1 0 303.362 2.364 20 10 DECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092733713 185337247 /nfs/dbraw/zinc/33/72/47/185337247.db2.gz VBMCHXYFKAQRGO-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CN(CC[NH+]1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000072981090 191263645 /nfs/dbraw/zinc/26/36/45/191263645.db2.gz QRENEWHTEZPNKT-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862404 354227904 /nfs/dbraw/zinc/22/79/04/354227904.db2.gz FETRSYAPDGICQY-OAHLLOKOSA-N 1 0 318.465 2.284 20 10 DECDRO CC(=O)NCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079402416 355308384 /nfs/dbraw/zinc/30/83/84/355308384.db2.gz XOULOVMKHRLMQE-UHFFFAOYSA-N 1 0 322.380 2.082 20 10 DECDRO CCOc1ccc(O)c(CN2CCC([N@H+](C)CCCO)CC2)c1 ZINC000093412970 355682612 /nfs/dbraw/zinc/68/26/12/355682612.db2.gz PASUXQUSJVGMSP-UHFFFAOYSA-N 1 0 322.449 2.070 20 10 DECDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4c3cccc4F)c21 ZINC000592560162 357901559 /nfs/dbraw/zinc/90/15/59/357901559.db2.gz XPGIJABVMURABK-LLVKDONJSA-N 1 0 314.364 2.061 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000091856009 193118087 /nfs/dbraw/zinc/11/80/87/193118087.db2.gz RQBYOMYYADUSMV-DZGCQCFKSA-N 1 0 309.431 2.497 20 10 DECDRO COc1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1O ZINC000105650776 194117922 /nfs/dbraw/zinc/11/79/22/194117922.db2.gz BLCAXQJXHIGAHE-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO Cc1cccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295022154 224384490 /nfs/dbraw/zinc/38/44/90/224384490.db2.gz KRXNPMBSFMSNGS-HNNXBMFYSA-N 1 0 303.406 2.284 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCOC3)CC1)OCO2 ZINC000368204259 285382048 /nfs/dbraw/zinc/38/20/48/285382048.db2.gz WKCVIPKTLJCXMW-ZDUSSCGKSA-N 1 0 305.374 2.369 20 10 DECDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452788 130124376 /nfs/dbraw/zinc/12/43/76/130124376.db2.gz GHTFBEIRNKDRCS-YVEFUNNKSA-N 1 0 315.417 2.389 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000273580566 130139693 /nfs/dbraw/zinc/13/96/93/130139693.db2.gz MOTMPTSGQQBLHL-MNOVXSKESA-N 1 0 322.405 2.133 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1C ZINC000273656957 130149667 /nfs/dbraw/zinc/14/96/67/130149667.db2.gz VJIFZGJJHXDRRP-OAHLLOKOSA-N 1 0 303.406 2.045 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1C ZINC000273656954 130150082 /nfs/dbraw/zinc/15/00/82/130150082.db2.gz VJIFZGJJHXDRRP-HNNXBMFYSA-N 1 0 303.406 2.045 20 10 DECDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275337377 130306255 /nfs/dbraw/zinc/30/62/55/130306255.db2.gz OAOJIJFDIGJHBU-MWLCHTKSSA-N 1 0 318.211 2.121 20 10 DECDRO Oc1cc2c(cc1C[NH2+]Cc1ccnc(OC(F)F)c1)OCO2 ZINC000284125261 131050919 /nfs/dbraw/zinc/05/09/19/131050919.db2.gz UCFCQRBDTWVPFM-UHFFFAOYSA-N 1 0 324.283 2.407 20 10 DECDRO CCCN(CC[NH+]1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000287606866 131290359 /nfs/dbraw/zinc/29/03/59/131290359.db2.gz YOKFERQOKXVOBJ-SOFGYWHQSA-N 1 0 318.417 2.445 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC000299474748 132106889 /nfs/dbraw/zinc/10/68/89/132106889.db2.gz FCAQHRVTQSFOMK-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NCC[NH+](C)C)cc2)CC1 ZINC000133642842 401893272 /nfs/dbraw/zinc/89/32/72/401893272.db2.gz ZCZUMEZKECGAKC-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CCOc1cccc(C[NH+]2CCN(CCOC(C)C)CC2)c1O ZINC000093586520 402016416 /nfs/dbraw/zinc/01/64/16/402016416.db2.gz KSMQVEIEGRBGSC-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CCc1nsc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000093643121 402017296 /nfs/dbraw/zinc/01/72/96/402017296.db2.gz PCHNDTCPTIRMMP-UHFFFAOYSA-N 1 0 318.446 2.437 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000093817590 402021092 /nfs/dbraw/zinc/02/10/92/402021092.db2.gz ZQPCRLRUEGPPRR-MRXNPFEDSA-N 1 0 304.434 2.163 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)OCO2 ZINC000121272172 402024799 /nfs/dbraw/zinc/02/47/99/402024799.db2.gz VTWOZWUXWKDXKR-NSHDSACASA-N 1 0 301.346 2.224 20 10 DECDRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121327031 402029002 /nfs/dbraw/zinc/02/90/02/402029002.db2.gz HMXNGLHMSRZTBO-UHFFFAOYSA-N 1 0 314.433 2.495 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000237122794 402396010 /nfs/dbraw/zinc/39/60/10/402396010.db2.gz AGGZVPSURGEGSY-UHFFFAOYSA-N 1 0 311.433 2.301 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1 ZINC000186027754 402396942 /nfs/dbraw/zinc/39/69/42/402396942.db2.gz VPQBPSINVULHOL-NSHDSACASA-N 1 0 315.435 2.265 20 10 DECDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186203336 402410152 /nfs/dbraw/zinc/41/01/52/402410152.db2.gz JBLSPFWRDWNUGW-GXSJLCMTSA-N 1 0 318.211 2.203 20 10 DECDRO COc1ccc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000179238301 402582938 /nfs/dbraw/zinc/58/29/38/402582938.db2.gz ZSAXGQCZRASVKV-INIZCTEOSA-N 1 0 303.450 2.302 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000262727636 402729846 /nfs/dbraw/zinc/72/98/46/402729846.db2.gz ATMOBQMQQBWXDD-ZIAGYGMSSA-N 1 0 312.417 2.312 20 10 DECDRO C[C@H](CNC(=O)NCc1ccccc1O)[NH+]1CCC(C)CC1 ZINC000263719148 402795063 /nfs/dbraw/zinc/79/50/63/402795063.db2.gz LIPHEZBQIOULNE-CQSZACIVSA-N 1 0 305.422 2.312 20 10 DECDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000278606833 402868970 /nfs/dbraw/zinc/86/89/70/402868970.db2.gz IIHNQAYIZQTUOD-CRAIPNDOSA-N 1 0 304.434 2.306 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC000271718566 402883005 /nfs/dbraw/zinc/88/30/05/402883005.db2.gz JIFWERSKAQJLPS-UHFFFAOYSA-N 1 0 306.406 2.137 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1 ZINC000279469969 402946222 /nfs/dbraw/zinc/94/62/22/402946222.db2.gz JUNAHOCUWURKGZ-LBPRGKRZSA-N 1 0 302.374 2.259 20 10 DECDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000280884138 403046631 /nfs/dbraw/zinc/04/66/31/403046631.db2.gz DQXGPNDDUQGJDE-GXSJLCMTSA-N 1 0 318.211 2.121 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1C ZINC000275627671 403110692 /nfs/dbraw/zinc/11/06/92/403110692.db2.gz SBPQJLQADMVWGZ-HOCLYGCPSA-N 1 0 301.390 2.362 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(OC)c(OC)cc1O ZINC000274951285 403098671 /nfs/dbraw/zinc/09/86/71/403098671.db2.gz SKRHPWIVGWYUTC-DGCLKSJQSA-N 1 0 323.389 2.183 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268786005 403113694 /nfs/dbraw/zinc/11/36/94/403113694.db2.gz ZSSQRIBRAPCTMQ-UONOGXRCSA-N 1 0 310.463 2.228 20 10 DECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268821746 403117512 /nfs/dbraw/zinc/11/75/12/403117512.db2.gz HQSDUUKEAXHZHY-GJZGRUSLSA-N 1 0 306.450 2.408 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000268953299 403121311 /nfs/dbraw/zinc/12/13/11/403121311.db2.gz SYZRAEFYLMWVGC-UONOGXRCSA-N 1 0 310.413 2.331 20 10 DECDRO CC(C)(CNC(=O)NCc1ccccc1O)C[NH+]1CCCC1 ZINC000276633532 403191994 /nfs/dbraw/zinc/19/19/94/403191994.db2.gz XVPHDIYJWWJTKK-UHFFFAOYSA-N 1 0 305.422 2.313 20 10 DECDRO CCCOc1ccc(C[NH2+]CC2(O)CC(OCC)C2)c(O)c1 ZINC000277803461 403258648 /nfs/dbraw/zinc/25/86/48/403258648.db2.gz XVZYDHVELCHDAF-UHFFFAOYSA-N 1 0 309.406 2.201 20 10 DECDRO CC1(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)OCCO1 ZINC000271152915 403269711 /nfs/dbraw/zinc/26/97/11/403269711.db2.gz BNSUVYWYMOIXJA-UHFFFAOYSA-N 1 0 321.373 2.096 20 10 DECDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000271162595 403271374 /nfs/dbraw/zinc/27/13/74/403271374.db2.gz YLDDEVZNFIPEGT-CABCVRRESA-N 1 0 320.433 2.064 20 10 DECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292582878 403370640 /nfs/dbraw/zinc/37/06/40/403370640.db2.gz GRZUQVZHWWAMKA-BUUCAEBMSA-N 1 0 306.406 2.348 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OCC)ccc1O ZINC000292749170 403376836 /nfs/dbraw/zinc/37/68/36/403376836.db2.gz RDCBSIWVNMXMET-CYBMUJFWSA-N 1 0 308.422 2.433 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)ccc1N(C)C ZINC000292973348 403385402 /nfs/dbraw/zinc/38/54/02/403385402.db2.gz DPXPEZGZSGCHDN-QGZVFWFLSA-N 1 0 301.434 2.304 20 10 DECDRO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000294230197 403678341 /nfs/dbraw/zinc/67/83/41/403678341.db2.gz SSRRUMIYEBKEBD-QAPCUYQASA-N 1 0 304.434 2.441 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000294853336 403736570 /nfs/dbraw/zinc/73/65/70/403736570.db2.gz SHKMXGYAFYMFBR-AWEZNQCLSA-N 1 0 308.378 2.063 20 10 DECDRO C[C@H]([NH2+]C1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294978939 403738961 /nfs/dbraw/zinc/73/89/61/403738961.db2.gz GTROANAIMXDIRC-XJKSGUPXSA-N 1 0 318.417 2.040 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000295045083 403741133 /nfs/dbraw/zinc/74/11/33/403741133.db2.gz FDXUJXZNMAVNEQ-GOSISDBHSA-N 1 0 319.493 2.469 20 10 DECDRO Cc1ccc(O)c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054391 403745115 /nfs/dbraw/zinc/74/51/15/403745115.db2.gz FZPSFNKPPNIXIW-CQSZACIVSA-N 1 0 324.421 2.018 20 10 DECDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295069311 403749136 /nfs/dbraw/zinc/74/91/36/403749136.db2.gz HGMIATGCUPICQY-JTQLQIEISA-N 1 0 316.760 2.457 20 10 DECDRO OC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000295092653 403756984 /nfs/dbraw/zinc/75/69/84/403756984.db2.gz RVAAASSJKPATJB-SKDRFNHKSA-N 1 0 300.196 2.405 20 10 DECDRO C[C@H]([C@H](C)N(C)Cc1cc(Cl)c(F)cc1[O-])S(C)(=O)=O ZINC000295455601 403933317 /nfs/dbraw/zinc/93/33/17/403933317.db2.gz VLXHKJGPZCVLRK-DTWKUNHWSA-N 1 0 323.817 2.438 20 10 DECDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000289821471 404000143 /nfs/dbraw/zinc/00/01/43/404000143.db2.gz TXVOTDXFLMUDAE-CQSZACIVSA-N 1 0 322.405 2.454 20 10 DECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000296402861 404233362 /nfs/dbraw/zinc/23/33/62/404233362.db2.gz UAFBCILIGOWZHK-HNNXBMFYSA-N 1 0 324.396 2.326 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1OC ZINC000290774102 404307088 /nfs/dbraw/zinc/30/70/88/404307088.db2.gz CIPDWLSYKIVZSF-INIZCTEOSA-N 1 0 309.406 2.296 20 10 DECDRO CCc1nnc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000290813302 404322297 /nfs/dbraw/zinc/32/22/97/404322297.db2.gz GFHIEHMFGIOCFX-UHFFFAOYSA-N 1 0 324.362 2.013 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1F ZINC000364582914 404456412 /nfs/dbraw/zinc/45/64/12/404456412.db2.gz ULIGZAVBSFZBFG-KDOFPFPSSA-N 1 0 319.424 2.288 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366273428 404784177 /nfs/dbraw/zinc/78/41/77/404784177.db2.gz SZMDGXIXIVVNDV-SFHVURJKSA-N 1 0 315.461 2.443 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1OC ZINC000367289947 404996938 /nfs/dbraw/zinc/99/69/38/404996938.db2.gz DTVORQGCUBAFFO-HIFRSBDPSA-N 1 0 320.433 2.468 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000367714904 405132781 /nfs/dbraw/zinc/13/27/81/405132781.db2.gz BAMYZPCQMUSIJZ-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO OC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527767787 406743177 /nfs/dbraw/zinc/74/31/77/406743177.db2.gz AUZZMMGQQUAORF-LJQANCHMSA-N 1 0 311.381 2.077 20 10 DECDRO CC[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000124902945 286730445 /nfs/dbraw/zinc/73/04/45/286730445.db2.gz NOFJHLAKJYYMJX-KRWDZBQOSA-N 1 0 319.449 2.074 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000189978831 225070032 /nfs/dbraw/zinc/07/00/32/225070032.db2.gz WZWYYOCIDUEYJT-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245736330 225221676 /nfs/dbraw/zinc/22/16/76/225221676.db2.gz FRDOVIKOHNZWMJ-SJORKVTESA-N 1 0 307.390 2.171 20 10 DECDRO Cc1cccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000271876982 225417428 /nfs/dbraw/zinc/41/74/28/225417428.db2.gz ZPFRIXAQBGRKCS-IRXDYDNUSA-N 1 0 301.386 2.275 20 10 DECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000288363015 225646078 /nfs/dbraw/zinc/64/60/78/225646078.db2.gz KUFCUUASJTYSIW-KSLFURFDSA-N 1 0 316.401 2.196 20 10 DECDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@@H]1C1CC1 ZINC000368765342 227017965 /nfs/dbraw/zinc/01/79/65/227017965.db2.gz NTYNHWKVFAJKPS-SJORKVTESA-N 1 0 305.374 2.416 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000375299814 274145967 /nfs/dbraw/zinc/14/59/67/274145967.db2.gz OAOKGJSWKPGICV-IBGZPJMESA-N 1 0 324.380 2.497 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(C(N)=O)C(C)C)c1O ZINC000297780257 275501851 /nfs/dbraw/zinc/50/18/51/275501851.db2.gz WCJZJCLHKPWTJE-OAHLLOKOSA-N 1 0 312.797 2.238 20 10 DECDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000281195245 280185572 /nfs/dbraw/zinc/18/55/72/280185572.db2.gz RNNRJSSCQFHJSF-OAHLLOKOSA-N 1 0 310.463 2.371 20 10 DECDRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001349788609 1151283430 /nfs/dbraw/zinc/28/34/30/1151283430.db2.gz TVUXOLDCQGPUFS-QGZVFWFLSA-N 1 0 322.474 2.344 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000361797011 336773084 /nfs/dbraw/zinc/77/30/84/336773084.db2.gz GSOGGPSBNGPYCA-GOSISDBHSA-N 1 0 319.424 2.337 20 10 DECDRO CC(C)COC[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034840 649869632 /nfs/dbraw/zinc/86/96/32/649869632.db2.gz FQSYGPWQMOEWAI-DUMMIQTOSA-N 1 0 306.450 2.389 20 10 DECDRO C[C@H](CN1CCCC1=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036088 649869830 /nfs/dbraw/zinc/86/98/30/649869830.db2.gz OFUNXIVVJIGGAK-CSPWOOARSA-N 1 0 301.434 2.366 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC000180411319 520553895 /nfs/dbraw/zinc/55/38/95/520553895.db2.gz UEZDZKQQWOFPTH-SJORKVTESA-N 1 0 321.417 2.153 20 10 DECDRO CC1CC[NH+](CCCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000236696633 520999939 /nfs/dbraw/zinc/99/99/39/520999939.db2.gz JYBHAYRJXFMCBJ-UHFFFAOYSA-N 1 0 303.450 2.440 20 10 DECDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000188509394 521007069 /nfs/dbraw/zinc/00/70/69/521007069.db2.gz LDQMAMPJMSOSEW-UHFFFAOYSA-N 1 0 306.454 2.236 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180326843 521143162 /nfs/dbraw/zinc/14/31/62/521143162.db2.gz SLJGQXXSBSCYJJ-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO CN(C)c1ccc(CN(C(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000264973958 522164375 /nfs/dbraw/zinc/16/43/75/522164375.db2.gz HANSCJAUDKFKCH-KRWDZBQOSA-N 1 0 301.434 2.338 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000237084664 522203553 /nfs/dbraw/zinc/20/35/53/522203553.db2.gz IPQQXKGBYSGCKG-MRXNPFEDSA-N 1 0 315.392 2.078 20 10 DECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000271178263 523670437 /nfs/dbraw/zinc/67/04/37/523670437.db2.gz KGCWHOBSVQLCMS-ZDUSSCGKSA-N 1 0 305.374 2.176 20 10 DECDRO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000378370659 534757384 /nfs/dbraw/zinc/75/73/84/534757384.db2.gz PCLNHPUBHBQISO-UHFFFAOYSA-N 1 0 300.358 2.333 20 10 DECDRO COc1ccc(N2CC[NH+](CCC3OCCCO3)CC2)cc1F ZINC000267967961 524423260 /nfs/dbraw/zinc/42/32/60/524423260.db2.gz VBVWWOBQYQIKEH-UHFFFAOYSA-N 1 0 324.396 2.109 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915505 524763464 /nfs/dbraw/zinc/76/34/64/524763464.db2.gz LTPPNSAZHZYAJD-RHSMWYFYSA-N 1 0 322.449 2.408 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(O)c1O ZINC000182257330 526106555 /nfs/dbraw/zinc/10/65/55/526106555.db2.gz HQSHIEHWFRAORL-ZDUSSCGKSA-N 1 0 304.390 2.107 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196211 536862361 /nfs/dbraw/zinc/86/23/61/536862361.db2.gz QRLGDSGFMWYXGQ-JSGCOSHPSA-N 1 0 322.361 2.452 20 10 DECDRO CC(C)N1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835039622 649870314 /nfs/dbraw/zinc/87/03/14/649870314.db2.gz HXIZABWGQFJSAW-OGZRUICASA-N 1 0 301.434 2.365 20 10 DECDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000835039142 649870334 /nfs/dbraw/zinc/87/03/34/649870334.db2.gz BLAWOFLDAHDDQA-LAQIPUCWSA-N 1 0 317.477 2.324 20 10 DECDRO CC(C)N1CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000835040046 649870428 /nfs/dbraw/zinc/87/04/28/649870428.db2.gz MZAVGVOPSCWADV-FUTAKVPZSA-N 1 0 301.434 2.365 20 10 DECDRO COC1CCN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835044003 649870660 /nfs/dbraw/zinc/87/06/60/649870660.db2.gz FSKYRQGLYCTFRH-PLNGDYQASA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000835055572 649872903 /nfs/dbraw/zinc/87/29/03/649872903.db2.gz WPCRBOWWRLRREA-VDNIUXDYSA-N 1 0 317.477 2.202 20 10 DECDRO C[C@H](CN1CCOCC1)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054473 649872972 /nfs/dbraw/zinc/87/29/72/649872972.db2.gz QAPYHYJDDWHNPP-KEGWNNHHSA-N 1 0 317.477 2.418 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1F ZINC000835059487 649874073 /nfs/dbraw/zinc/87/40/73/649874073.db2.gz AECYZKSJSUHUQP-QGZVFWFLSA-N 1 0 307.413 2.430 20 10 DECDRO O=[S@@](CC[NH2+]Cc1ccc(Cl)cc1O)CC(F)(F)F ZINC001474626092 1152557945 /nfs/dbraw/zinc/55/79/45/1152557945.db2.gz SNLHGKOGCSCIQE-IBGZPJMESA-N 1 0 315.744 2.446 20 10 DECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330534155 1149182221 /nfs/dbraw/zinc/18/22/21/1149182221.db2.gz VXHBOAIIJLCEKL-SJLPKXTDSA-N 1 0 304.434 2.428 20 10 DECDRO CN(CC(C)(C)C[NH+](C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000890882374 623315062 /nfs/dbraw/zinc/31/50/62/623315062.db2.gz MJSQRPWOHLVOIZ-CLFYSBASSA-N 1 0 306.406 2.157 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]CCc1nnc2ccccn21 ZINC000083551545 623670756 /nfs/dbraw/zinc/67/07/56/623670756.db2.gz VONRFSDWXKQWBL-UHFFFAOYSA-N 1 0 302.765 2.421 20 10 DECDRO CSC[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252902 623798557 /nfs/dbraw/zinc/79/85/57/623798557.db2.gz OMENPCIFLFILLW-BBRMVZONSA-N 1 0 323.506 2.471 20 10 DECDRO Cc1ncoc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252353 623799301 /nfs/dbraw/zinc/79/93/01/623799301.db2.gz JRDBIUNWNBUCIK-OAHLLOKOSA-N 1 0 316.405 2.082 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001021799495 624093983 /nfs/dbraw/zinc/09/39/83/624093983.db2.gz QXPLPXGVRCYUEU-KSYCFECVSA-N 1 0 302.418 2.396 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840837653 624159614 /nfs/dbraw/zinc/15/96/14/624159614.db2.gz KIESQUIQWQLRKR-YUMQZZPRSA-N 1 0 303.189 2.486 20 10 DECDRO CCOC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000891815544 624612993 /nfs/dbraw/zinc/61/29/93/624612993.db2.gz PSERFZWPENKSTR-UHFFFAOYSA-N 1 0 323.389 2.327 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000176220491 624707238 /nfs/dbraw/zinc/70/72/38/624707238.db2.gz NYPZGVXQTBKMLJ-KGLIPLIRSA-N 1 0 321.421 2.073 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000893557994 634671570 /nfs/dbraw/zinc/67/15/70/634671570.db2.gz LFKHMYBZYDFMDY-QGZVFWFLSA-N 1 0 307.390 2.069 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CC2)ccc1N1CCCCC1 ZINC000734165021 633341507 /nfs/dbraw/zinc/34/15/07/633341507.db2.gz SBRGWYYTDIUZRA-HNNXBMFYSA-N 1 0 319.405 2.446 20 10 DECDRO COc1ccc(C[N@@H+]2CCN(C)C[C@H]2C(C)C)c(O)c1OC ZINC000893461500 633790423 /nfs/dbraw/zinc/79/04/23/633790423.db2.gz PFUBSTRHKARQDE-AWEZNQCLSA-N 1 0 308.422 2.181 20 10 DECDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000998295860 634203475 /nfs/dbraw/zinc/20/34/75/634203475.db2.gz XICFTOZJZFVAJS-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)OC)C2)cc1C ZINC000998678872 634372902 /nfs/dbraw/zinc/37/29/02/634372902.db2.gz RSAPRPFKFYOZLN-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c(O)c1OC ZINC000893616986 635130340 /nfs/dbraw/zinc/13/03/40/635130340.db2.gz NOLKXKLNPPPDOV-ZFWWWQNUSA-N 1 0 307.390 2.457 20 10 DECDRO CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981541313 635523339 /nfs/dbraw/zinc/52/33/39/635523339.db2.gz JXCHSYKTCGLDPU-UONOGXRCSA-N 1 0 317.393 2.500 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)c2ccsc2)c(O)c1OC ZINC000893654907 635708941 /nfs/dbraw/zinc/70/89/41/635708941.db2.gz LKGUXEVYQRHKLY-GFCCVEGCSA-N 1 0 309.387 2.294 20 10 DECDRO CCn1ncc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840976294 636004212 /nfs/dbraw/zinc/00/42/12/636004212.db2.gz OBJFTIBJBFIOMN-CQSZACIVSA-N 1 0 301.438 2.393 20 10 DECDRO [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(CO)CC1 ZINC000893920526 636065014 /nfs/dbraw/zinc/06/50/14/636065014.db2.gz BVLLTTDFMWWHDB-UHFFFAOYSA-N 1 0 318.186 2.498 20 10 DECDRO COC(=O)c1c(C[N@H+](C)CC(C)(C)O)c2cc(F)ccc2n1C ZINC000894026062 636095422 /nfs/dbraw/zinc/09/54/22/636095422.db2.gz GSQPLPDSAMRYHZ-UHFFFAOYSA-N 1 0 322.380 2.307 20 10 DECDRO CCN1CCC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000922639329 636290706 /nfs/dbraw/zinc/29/07/06/636290706.db2.gz NNKSNVNNRVHGPL-XTKXOIQPSA-N 1 0 301.434 2.366 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000186842753 636572754 /nfs/dbraw/zinc/57/27/54/636572754.db2.gz YKPJDQPQWSXTTO-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCCSc2nccs2)C1(F)F ZINC000894303050 636755938 /nfs/dbraw/zinc/75/59/38/636755938.db2.gz GDRWZUGWPAJTBL-BDAKNGLRSA-N 1 0 322.402 2.269 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3nnn(C)c3C2)c(Cl)c1 ZINC000922991868 636901455 /nfs/dbraw/zinc/90/14/55/636901455.db2.gz SGQYPHYISRZWLG-JTQLQIEISA-N 1 0 306.797 2.130 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1O ZINC000894459019 637050247 /nfs/dbraw/zinc/05/02/47/637050247.db2.gz ZXPYPLSYZXSVCQ-CHWSQXEVSA-N 1 0 311.353 2.124 20 10 DECDRO COc1ccc(C[N@H+](C)CCCn2ccnc2)c(O)c1OC ZINC000894475334 637060865 /nfs/dbraw/zinc/06/08/65/637060865.db2.gz CZQZODIHASIQIW-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO CS(=O)(=O)[C@H]1CCCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894572946 637112002 /nfs/dbraw/zinc/11/20/02/637112002.db2.gz MHJCKHWQRJQLBU-LBPRGKRZSA-N 1 0 319.373 2.070 20 10 DECDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](C)O ZINC000824921780 637280932 /nfs/dbraw/zinc/28/09/32/637280932.db2.gz QWIINHIWYZFQAG-LDYMZIIASA-N 1 0 318.211 2.412 20 10 DECDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000895001416 637363227 /nfs/dbraw/zinc/36/32/27/637363227.db2.gz SAZUQFZXWONVPS-SFHVURJKSA-N 1 0 314.360 2.160 20 10 DECDRO C[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000838559483 637599148 /nfs/dbraw/zinc/59/91/48/637599148.db2.gz MYDZYCDZNLHDFZ-CYBMUJFWSA-N 1 0 306.454 2.453 20 10 DECDRO CC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)C(=O)OC ZINC000895127366 637619851 /nfs/dbraw/zinc/61/98/51/637619851.db2.gz KHXXQAIXDSUWPQ-VIFPVBQESA-N 1 0 316.195 2.444 20 10 DECDRO CCOCc1cc(C[NH2+]CCc2cn(C)cn2)ccc1OC ZINC000839149239 637790612 /nfs/dbraw/zinc/79/06/12/637790612.db2.gz PJDJNLDVGCXERX-UHFFFAOYSA-N 1 0 303.406 2.298 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1O ZINC000895238095 637829221 /nfs/dbraw/zinc/82/92/21/637829221.db2.gz VLALWODVBQRYBE-CWRNSKLLSA-N 1 0 323.433 2.365 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000840910338 650377990 /nfs/dbraw/zinc/37/79/90/650377990.db2.gz QZQWOTNKXJBVHR-KRWDZBQOSA-N 1 0 324.490 2.460 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000895332726 637935969 /nfs/dbraw/zinc/93/59/69/637935969.db2.gz OJZNHVKHYKAJEO-GXTWGEPZSA-N 1 0 307.390 2.340 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+](CCCCO)CC2)c(Cl)c1 ZINC000840918390 650382160 /nfs/dbraw/zinc/38/21/60/650382160.db2.gz RZINQKRFXMENEI-UHFFFAOYSA-N 1 0 312.841 2.244 20 10 DECDRO Brc1cnc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000895408924 638008442 /nfs/dbraw/zinc/00/84/42/638008442.db2.gz OCAWZYIIVXBPHH-UHFFFAOYSA-N 1 0 320.190 2.464 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(Cl)c1 ZINC000840950697 650394188 /nfs/dbraw/zinc/39/41/88/650394188.db2.gz MQNLUECJEXKUFI-BETUJISGSA-N 1 0 312.841 2.241 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCO)C1CCOCC1 ZINC000840940021 650390507 /nfs/dbraw/zinc/39/05/07/650390507.db2.gz UGIIMKLXXBIVFT-SFHVURJKSA-N 1 0 306.450 2.328 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000840940480 650390540 /nfs/dbraw/zinc/39/05/40/650390540.db2.gz AWTWBKKPLPOULM-MRXNPFEDSA-N 1 0 305.466 2.214 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895677837 638140092 /nfs/dbraw/zinc/14/00/92/638140092.db2.gz PKOFTZPIXPDHIG-VIFPVBQESA-N 1 0 303.202 2.179 20 10 DECDRO Cc1cccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)c1O ZINC000840963063 650395573 /nfs/dbraw/zinc/39/55/73/650395573.db2.gz XVEZMMSOKNFEBF-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](O)C(C)C ZINC000840967959 650396860 /nfs/dbraw/zinc/39/68/60/650396860.db2.gz UHFJLYYFPCICSR-QZTJIDSGSA-N 1 0 306.450 2.408 20 10 DECDRO COc1ccc(CN2CC[N@H+](C)C(C)(C)CC2)c(O)c1OC ZINC000895778982 638194418 /nfs/dbraw/zinc/19/44/18/638194418.db2.gz MTVNPAPOHDAWED-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000895795449 638202481 /nfs/dbraw/zinc/20/24/81/638202481.db2.gz WWQDBZRDZLWYSR-LLVKDONJSA-N 1 0 320.414 2.383 20 10 DECDRO CC(C)Oc1ccc(N(C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841024107 650407414 /nfs/dbraw/zinc/40/74/14/650407414.db2.gz QAGQLOGOVPPQSQ-OAHLLOKOSA-N 1 0 319.449 2.107 20 10 DECDRO COCC[NH2+]CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841048718 650414209 /nfs/dbraw/zinc/41/42/09/650414209.db2.gz SBJLWLPYSWSUGM-UHFFFAOYSA-N 1 0 319.371 2.097 20 10 DECDRO CCN(CC)c1ccc(CNC[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000841065304 650420913 /nfs/dbraw/zinc/42/09/13/650420913.db2.gz APIJPURIHXPCKB-GOSISDBHSA-N 1 0 305.466 2.391 20 10 DECDRO [NH3+]CC[C@H](NCc1cc(Br)ccc1O)C(F)F ZINC000841075190 650423109 /nfs/dbraw/zinc/42/31/09/650423109.db2.gz XTYNCNYTWREVTQ-VIFPVBQESA-N 1 0 309.154 2.227 20 10 DECDRO COc1cccc(O)c1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841077008 650424024 /nfs/dbraw/zinc/42/40/24/650424024.db2.gz WNAIROUVZCJMCW-UHFFFAOYSA-N 1 0 300.358 2.495 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896395755 638500780 /nfs/dbraw/zinc/50/07/80/638500780.db2.gz KVDLOGRWMJHENY-SUMWQHHRSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896398159 638502517 /nfs/dbraw/zinc/50/25/17/638502517.db2.gz YPXFWQNXBZIVTL-PBHICJAKSA-N 1 0 304.390 2.411 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1O ZINC000896426201 638517303 /nfs/dbraw/zinc/51/73/03/638517303.db2.gz CBYUGVFPYQKOIU-CABCVRRESA-N 1 0 322.474 2.379 20 10 DECDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841087037 650428021 /nfs/dbraw/zinc/42/80/21/650428021.db2.gz IGQZRCPRLLFUDC-MRXNPFEDSA-N 1 0 309.429 2.125 20 10 DECDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000748459427 638558202 /nfs/dbraw/zinc/55/82/02/638558202.db2.gz GSSZLLRQSVRGDP-UHFFFAOYSA-N 1 0 313.401 2.453 20 10 DECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1cccc(F)c1 ZINC000749120821 638616857 /nfs/dbraw/zinc/61/68/57/638616857.db2.gz XFSMCNLTFVJADD-DYZYQPBXSA-N 1 0 319.332 2.472 20 10 DECDRO CCc1cccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1O ZINC000896687883 638636511 /nfs/dbraw/zinc/63/65/11/638636511.db2.gz DAHIMZGDEMAGOU-UHFFFAOYSA-N 1 0 321.417 2.092 20 10 DECDRO CCC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1CCOC ZINC000841298879 650471411 /nfs/dbraw/zinc/47/14/11/650471411.db2.gz SITZWUHKRMFKAH-INIZCTEOSA-N 1 0 320.437 2.233 20 10 DECDRO O=C1N[C@@H](C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CO1 ZINC000897023031 639135630 /nfs/dbraw/zinc/13/56/30/639135630.db2.gz CCFXQMLIAQTZMK-CYBMUJFWSA-N 1 0 310.781 2.366 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000897227226 639260901 /nfs/dbraw/zinc/26/09/01/639260901.db2.gz BVBZTEAIPXZVMW-QGZVFWFLSA-N 1 0 304.434 2.298 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000753571412 639315522 /nfs/dbraw/zinc/31/55/22/639315522.db2.gz OAEZAJAFGPCXGM-CQSZACIVSA-N 1 0 321.417 2.418 20 10 DECDRO COc1cccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c1O ZINC000753592424 639318415 /nfs/dbraw/zinc/31/84/15/639318415.db2.gz YDCUSKKLSBHPRO-UHFFFAOYSA-N 1 0 306.406 2.280 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000754085704 639384525 /nfs/dbraw/zinc/38/45/25/639384525.db2.gz OMZIUFWBTCUBQO-CQSZACIVSA-N 1 0 310.463 2.200 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000320780191 639625463 /nfs/dbraw/zinc/62/54/63/639625463.db2.gz GRFOJWMOELBZPR-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756608433 639679069 /nfs/dbraw/zinc/67/90/69/639679069.db2.gz BMJHMLHMOWVIMU-LJWDBELGSA-N 1 0 305.353 2.136 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCOCC2)c2c1c(F)ccc2O ZINC000756735896 639691160 /nfs/dbraw/zinc/69/11/60/639691160.db2.gz CQDYMMROQLRGNQ-YVLXSGLVSA-N 1 0 309.381 2.457 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000841651757 650529594 /nfs/dbraw/zinc/52/95/94/650529594.db2.gz AFMXBQKYRHJWAL-OAHLLOKOSA-N 1 0 304.438 2.023 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000841655657 650531110 /nfs/dbraw/zinc/53/11/10/650531110.db2.gz SXPKTWZWQSTKKM-OAHLLOKOSA-N 1 0 304.438 2.084 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000841720673 650551279 /nfs/dbraw/zinc/55/12/79/650551279.db2.gz YTAXPKSJZNFECX-ZBFHGGJFSA-N 1 0 318.465 2.412 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760751 650558476 /nfs/dbraw/zinc/55/84/76/650558476.db2.gz YOIIMCMEUWHQSG-INIZCTEOSA-N 1 0 318.465 2.386 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000841758465 650557814 /nfs/dbraw/zinc/55/78/14/650557814.db2.gz HTOCYCNMQVTWSP-CVEARBPZSA-N 1 0 316.449 2.138 20 10 DECDRO C[C@H]1CC[N@H+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000897428801 640205785 /nfs/dbraw/zinc/20/57/85/640205785.db2.gz SJZOIGRVXXOPPI-HNNXBMFYSA-N 1 0 318.465 2.236 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1F ZINC000841799368 650567623 /nfs/dbraw/zinc/56/76/23/650567623.db2.gz UQRJHXXPTYAEHW-UHFFFAOYSA-N 1 0 310.417 2.208 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841827859 650573853 /nfs/dbraw/zinc/57/38/53/650573853.db2.gz PSGFQXZFXLQLRQ-PBHICJAKSA-N 1 0 318.465 2.378 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@]3(OC)CCOC3)CC2)cc1 ZINC000763573075 640553438 /nfs/dbraw/zinc/55/34/38/640553438.db2.gz QBRJJYQTJZXPBO-GOSISDBHSA-N 1 0 320.433 2.059 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841880531 650591318 /nfs/dbraw/zinc/59/13/18/650591318.db2.gz BVZMLQZWDKWOGV-UKRRQHHQSA-N 1 0 306.454 2.486 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882999 650592161 /nfs/dbraw/zinc/59/21/61/650592161.db2.gz QLANDZCUTJBEID-YDHLFZDLSA-N 1 0 304.438 2.192 20 10 DECDRO C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841881962 650592314 /nfs/dbraw/zinc/59/23/14/650592314.db2.gz FTUSXDFCZZNUBO-GUYCJALGSA-N 1 0 316.449 2.350 20 10 DECDRO OC1(C2(C[NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)CCC1 ZINC000897530624 640632308 /nfs/dbraw/zinc/63/23/08/640632308.db2.gz NEWVTXQEODUPMP-UHFFFAOYSA-N 1 0 316.445 2.308 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841922955 650603307 /nfs/dbraw/zinc/60/33/07/650603307.db2.gz WDENHFWYFUNECL-OAHLLOKOSA-N 1 0 305.422 2.456 20 10 DECDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841933640 650605773 /nfs/dbraw/zinc/60/57/73/650605773.db2.gz GMLTVOYXKSLGBJ-UHFFFAOYSA-N 1 0 316.449 2.250 20 10 DECDRO CCC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979324 640835368 /nfs/dbraw/zinc/83/53/68/640835368.db2.gz RCOGJKFGMJGRRV-AWEZNQCLSA-N 1 0 310.463 2.200 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)n[nH]3)CC2)cc1 ZINC000766082685 640845491 /nfs/dbraw/zinc/84/54/91/640845491.db2.gz AFCHEUQUKVJUPN-UHFFFAOYSA-N 1 0 300.406 2.485 20 10 DECDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccc(N)cc1 ZINC000841956918 650612149 /nfs/dbraw/zinc/61/21/49/650612149.db2.gz BOLANKQHSCALFX-SJORKVTESA-N 1 0 316.449 2.080 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000841987653 650620052 /nfs/dbraw/zinc/62/00/52/650620052.db2.gz PGGOHFUEYXRQLA-QGZVFWFLSA-N 1 0 318.465 2.412 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000841971270 650616315 /nfs/dbraw/zinc/61/63/15/650616315.db2.gz VRXFBGVTSVGGOU-YVEFUNNKSA-N 1 0 321.421 2.151 20 10 DECDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841988362 650620261 /nfs/dbraw/zinc/62/02/61/650620261.db2.gz UUDGQUJKJHDCDK-WBMJQRKESA-N 1 0 317.433 2.068 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)CC1(CS(C)(=O)=O)CC1 ZINC000767411002 640975654 /nfs/dbraw/zinc/97/56/54/640975654.db2.gz IGQPPPLTKZKKKW-UHFFFAOYSA-N 1 0 311.447 2.429 20 10 DECDRO C[C@@H](CCCC[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841994791 650622049 /nfs/dbraw/zinc/62/20/49/650622049.db2.gz KMDJVVIKCGXFQV-AWEZNQCLSA-N 1 0 306.454 2.412 20 10 DECDRO OCCC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000898007309 640991112 /nfs/dbraw/zinc/99/11/12/640991112.db2.gz BEWTUPDFASIRFP-UHFFFAOYSA-N 1 0 300.196 2.405 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898200610 641057406 /nfs/dbraw/zinc/05/74/06/641057406.db2.gz ZBNWQYOVCIBGLY-LBPRGKRZSA-N 1 0 300.196 2.405 20 10 DECDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000768931965 641145461 /nfs/dbraw/zinc/14/54/61/641145461.db2.gz XNCXIQMYVIOAED-NSHDSACASA-N 1 0 309.797 2.035 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000769208572 641194483 /nfs/dbraw/zinc/19/44/83/641194483.db2.gz ZZNZUBPSZYDPET-QGZVFWFLSA-N 1 0 301.434 2.339 20 10 DECDRO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000771753808 641545362 /nfs/dbraw/zinc/54/53/62/641545362.db2.gz MCFJFLQJBJDLGH-SFHVURJKSA-N 1 0 322.449 2.279 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000927103408 641628731 /nfs/dbraw/zinc/62/87/31/641628731.db2.gz PTZZLXXYSNDKCF-DZGCQCFKSA-N 1 0 320.433 2.305 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)CC2 ZINC000927103798 641628987 /nfs/dbraw/zinc/62/89/87/641628987.db2.gz SQLDHDMKQIMSJY-CVEARBPZSA-N 1 0 302.418 2.222 20 10 DECDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773372439 641766136 /nfs/dbraw/zinc/76/61/36/641766136.db2.gz UDFFTFARIUZNCR-HUUCEWRRSA-N 1 0 318.465 2.455 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000773748962 641818878 /nfs/dbraw/zinc/81/88/78/641818878.db2.gz HIJXYIXBJOAQKH-UHFFFAOYSA-N 1 0 311.433 2.255 20 10 DECDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774828369 641970210 /nfs/dbraw/zinc/97/02/10/641970210.db2.gz ZAVANBQABYPJCZ-UHFFFAOYSA-N 1 0 312.366 2.294 20 10 DECDRO CCOCc1cc(C[NH2+]CCc2cnccn2)ccc1OC ZINC000774832758 641970748 /nfs/dbraw/zinc/97/07/48/641970748.db2.gz NECSQMWKIUJMFJ-UHFFFAOYSA-N 1 0 301.390 2.354 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1 ZINC000775647814 642071499 /nfs/dbraw/zinc/07/14/99/642071499.db2.gz AZUPNMWAFJWCOO-UHFFFAOYSA-N 1 0 320.433 2.385 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)CN1C ZINC000775981671 642119658 /nfs/dbraw/zinc/11/96/58/642119658.db2.gz SPRNPKXMRIZXBF-HOTGVXAUSA-N 1 0 303.450 2.048 20 10 DECDRO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776097026 642130459 /nfs/dbraw/zinc/13/04/59/642130459.db2.gz SRRDVONGSJDYEE-CQSZACIVSA-N 1 0 306.454 2.455 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000776177300 642139557 /nfs/dbraw/zinc/13/95/57/642139557.db2.gz MHUNRBKMZUNVPS-UHFFFAOYSA-N 1 0 322.449 2.380 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]CCC[S@](C)=O)c1O ZINC000776208656 642144042 /nfs/dbraw/zinc/14/40/42/642144042.db2.gz JAKWYBWUFRPYJQ-KRWDZBQOSA-N 1 0 320.252 2.321 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771744 642206136 /nfs/dbraw/zinc/20/61/36/642206136.db2.gz JBJDVQWEWJKZOB-NVXWUHKLSA-N 1 0 319.401 2.209 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000776865986 642214032 /nfs/dbraw/zinc/21/40/32/642214032.db2.gz CEXRQPUFOPKESI-BHYGNILZSA-N 1 0 323.433 2.480 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000779484516 642504795 /nfs/dbraw/zinc/50/47/95/642504795.db2.gz SKUIWNSZNMXSMM-LYASGUKUSA-N 1 0 316.401 2.198 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618589 650783726 /nfs/dbraw/zinc/78/37/26/650783726.db2.gz SUVMJXIECHFKNU-VMGRFDJRSA-N 1 0 319.401 2.209 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000842669654 650800382 /nfs/dbraw/zinc/80/03/82/650800382.db2.gz NMLHUKFIHBJAFD-OCCSQVGLSA-N 1 0 308.397 2.054 20 10 DECDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000783220333 642982584 /nfs/dbraw/zinc/98/25/84/642982584.db2.gz DLIIAOJNUBPRGW-UKPHBRMFSA-N 1 0 301.434 2.276 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@@H]3CCO[C@]34CCOC4)ccc21 ZINC000903083360 643243256 /nfs/dbraw/zinc/24/32/56/643243256.db2.gz FTIZEPUAWZHGGD-MSOLQXFVSA-N 1 0 302.418 2.107 20 10 DECDRO C[C@H]([NH2+]CCCc1nnnn1C)c1cc2c(cc1O)CCCC2 ZINC000903348895 643322776 /nfs/dbraw/zinc/32/27/76/643322776.db2.gz NTBCGGMDTPSHBV-LBPRGKRZSA-N 1 0 315.421 2.078 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1 ZINC000903399440 643344145 /nfs/dbraw/zinc/34/41/45/643344145.db2.gz WJEQWIMVMTWJOB-STQMWFEESA-N 1 0 314.389 2.126 20 10 DECDRO COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903981391 643535419 /nfs/dbraw/zinc/53/54/19/643535419.db2.gz CPQQQTPXRFFRHV-WDEREUQCSA-N 1 0 304.312 2.112 20 10 DECDRO CCn1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1=O ZINC000788524548 643620375 /nfs/dbraw/zinc/62/03/75/643620375.db2.gz RPHDNYGATAHDTC-UHFFFAOYSA-N 1 0 303.381 2.363 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1F ZINC000788534680 643621060 /nfs/dbraw/zinc/62/10/60/643621060.db2.gz IBZWWDHGVGSNMA-SUMWQHHRSA-N 1 0 310.413 2.301 20 10 DECDRO CCOC(=O)CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000789780439 643775350 /nfs/dbraw/zinc/77/53/50/643775350.db2.gz WDTWBRLAEHZRAB-UHFFFAOYSA-N 1 0 321.373 2.477 20 10 DECDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000789962875 643796127 /nfs/dbraw/zinc/79/61/27/643796127.db2.gz BSSPPRKXHZSRRW-GRYCIOLGSA-N 1 0 324.396 2.333 20 10 DECDRO CC(C)(CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCCC1 ZINC000790065440 643812593 /nfs/dbraw/zinc/81/25/93/643812593.db2.gz OGFYJEUSUTVJCK-UHFFFAOYSA-N 1 0 310.369 2.231 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790396405 643846833 /nfs/dbraw/zinc/84/68/33/643846833.db2.gz SFDSZVSFCGXKIE-DEYYWGMASA-N 1 0 321.417 2.478 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843046479 650876441 /nfs/dbraw/zinc/87/64/41/650876441.db2.gz WVXFCBGKABDRNM-WMLDXEAASA-N 1 0 321.440 2.364 20 10 DECDRO C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000843050852 650877471 /nfs/dbraw/zinc/87/74/71/650877471.db2.gz AIDWSQGBJYEVEG-MAUKXSAKSA-N 1 0 303.450 2.082 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000791145262 643933582 /nfs/dbraw/zinc/93/35/82/643933582.db2.gz GXMFJZABXAKSIB-BVBGJJFLSA-N 1 0 318.417 2.348 20 10 DECDRO COC(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000843057297 650879290 /nfs/dbraw/zinc/87/92/90/650879290.db2.gz ALEVRXOQRYOPOC-UHFFFAOYSA-N 1 0 300.358 2.478 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000843058116 650880066 /nfs/dbraw/zinc/88/00/66/650880066.db2.gz PSKFJIDHESSPEE-CRAIPNDOSA-N 1 0 303.450 2.225 20 10 DECDRO [NH3+]CCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000843059176 650880079 /nfs/dbraw/zinc/88/00/79/650880079.db2.gz FIYVDRUTCBCSJF-UHFFFAOYSA-N 1 0 300.358 2.082 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000905684561 644005296 /nfs/dbraw/zinc/00/52/96/644005296.db2.gz AFRZPQLSPIMCJJ-GFCCVEGCSA-N 1 0 303.362 2.390 20 10 DECDRO CC(C)[NH+]1CCN(CCCOC(=O)C2=CC(=O)CS2)CC1 ZINC000791886300 644043733 /nfs/dbraw/zinc/04/37/33/644043733.db2.gz QOOBMEHSBKIQNG-UHFFFAOYSA-N 1 0 312.435 2.027 20 10 DECDRO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)c(O)c1 ZINC000792892353 644165666 /nfs/dbraw/zinc/16/56/66/644165666.db2.gz APGZZVPMUDEYCD-CYBMUJFWSA-N 1 0 321.421 2.074 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC000793284893 644225225 /nfs/dbraw/zinc/22/52/25/644225225.db2.gz JEZBYCFYWWAHJC-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@]2(CCOC2)O1 ZINC000794708667 644463961 /nfs/dbraw/zinc/46/39/61/644463961.db2.gz YESKWPIBNLGFJB-FZKQIMNGSA-N 1 0 314.385 2.320 20 10 DECDRO CC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(C)cc1O ZINC000794812783 644479161 /nfs/dbraw/zinc/47/91/61/644479161.db2.gz GBNNKFJXZILVBT-AWEZNQCLSA-N 1 0 301.394 2.338 20 10 DECDRO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796523398 644749551 /nfs/dbraw/zinc/74/95/51/644749551.db2.gz QYXQIJLJGJWNFW-IBGZPJMESA-N 1 0 317.477 2.487 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000843368642 650959392 /nfs/dbraw/zinc/95/93/92/650959392.db2.gz PYLSNTYRUFAZQL-UVBJJODRSA-N 1 0 306.381 2.293 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000843413554 650969808 /nfs/dbraw/zinc/96/98/08/650969808.db2.gz SUWCYHXLTWFMBT-ZDUSSCGKSA-N 1 0 312.360 2.376 20 10 DECDRO C[NH+]1CCC2(CC1)CN(Cc1c(O)cccc1Cl)CCO2 ZINC000843432472 650974296 /nfs/dbraw/zinc/97/42/96/650974296.db2.gz XHMIFBHHPCWTCM-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO CC[NH2+]CC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000843446563 650977934 /nfs/dbraw/zinc/97/79/34/650977934.db2.gz NDULYFARLTWVTD-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO c1cc(N2CCCCC2)ccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087898 645096232 /nfs/dbraw/zinc/09/62/32/645096232.db2.gz XQAMNJQDGOKHJS-SFHVURJKSA-N 1 0 303.450 2.145 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000843487864 650983519 /nfs/dbraw/zinc/98/35/19/650983519.db2.gz KWCWYPCGOKIFGN-SJORKVTESA-N 1 0 303.450 2.489 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000910283690 645388342 /nfs/dbraw/zinc/38/83/42/645388342.db2.gz LNVXKDJOHSHXML-CFNZNRNTSA-N 1 0 304.390 2.054 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000910283691 645388515 /nfs/dbraw/zinc/38/85/15/645388515.db2.gz LNVXKDJOHSHXML-FWPCIQOSSA-N 1 0 304.390 2.054 20 10 DECDRO Cc1cnc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000911666348 645769712 /nfs/dbraw/zinc/76/97/12/645769712.db2.gz IGMHWCJBXIHFJK-INIZCTEOSA-N 1 0 312.417 2.194 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CNc3ccccc32)cc1 ZINC000911668550 645770561 /nfs/dbraw/zinc/77/05/61/645770561.db2.gz ZNZYXGTXFMGMTG-DLBZAZTESA-N 1 0 324.428 2.078 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1O ZINC000806173050 645806776 /nfs/dbraw/zinc/80/67/76/645806776.db2.gz DPGGUTTUMZIHBI-QWRGUYRKSA-N 1 0 301.383 2.007 20 10 DECDRO Cc1cc(=O)[nH]c(C=Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000806574295 645847274 /nfs/dbraw/zinc/84/72/74/645847274.db2.gz KKACSQQFVQPAQT-VMPITWQZSA-N 1 0 310.401 2.413 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC(C)(C)OCCO)CC2)cc1 ZINC000806664458 645860568 /nfs/dbraw/zinc/86/05/68/645860568.db2.gz RGXXIAPGSPUIFD-UHFFFAOYSA-N 1 0 322.449 2.041 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3[nH]ncc3C)CC2)cc1 ZINC000810142172 646331314 /nfs/dbraw/zinc/33/13/14/646331314.db2.gz UZCDTKZFNASTHX-UHFFFAOYSA-N 1 0 300.406 2.485 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(F)ccc1O ZINC000810243439 646343106 /nfs/dbraw/zinc/34/31/06/646343106.db2.gz OCPGGZIPQXUTTL-LLVKDONJSA-N 1 0 302.349 2.410 20 10 DECDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000811519453 646539349 /nfs/dbraw/zinc/53/93/49/646539349.db2.gz XRSMKBBIBBLHTJ-SFHVURJKSA-N 1 0 318.461 2.410 20 10 DECDRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000158100050 646589565 /nfs/dbraw/zinc/58/95/65/646589565.db2.gz BNSZZAOJSOKVQH-UHFFFAOYSA-N 1 0 311.857 2.161 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000813784453 646808986 /nfs/dbraw/zinc/80/89/86/646808986.db2.gz DLYAUIJBLWXKKG-OAHLLOKOSA-N 1 0 305.466 2.451 20 10 DECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1 ZINC000815103384 646969608 /nfs/dbraw/zinc/96/96/08/646969608.db2.gz PMKQOBZMCUTZKT-INIZCTEOSA-N 1 0 305.466 2.295 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c(O)c1 ZINC000815154186 646981185 /nfs/dbraw/zinc/98/11/85/646981185.db2.gz DDSSVHAYGRRTFT-INIZCTEOSA-N 1 0 314.385 2.497 20 10 DECDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815561942 647031048 /nfs/dbraw/zinc/03/10/48/647031048.db2.gz TUNAKBVWTYLZIX-MRXNPFEDSA-N 1 0 308.397 2.319 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2c(O)cccc2F)CCCC1 ZINC000913874343 647079939 /nfs/dbraw/zinc/07/99/39/647079939.db2.gz FBPJWVKGGYXXEJ-UHFFFAOYSA-N 1 0 309.385 2.205 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816549756 647150825 /nfs/dbraw/zinc/15/08/25/647150825.db2.gz XPCDIOWMPLTCMU-LBPRGKRZSA-N 1 0 307.415 2.458 20 10 DECDRO OC[C@@]1([C@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)CCCO1 ZINC000816667511 647166179 /nfs/dbraw/zinc/16/61/79/647166179.db2.gz OZTBBNJJYLALDS-HZPDHXFCSA-N 1 0 311.809 2.455 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)[C@H]1n1cccn1 ZINC000816672847 647167098 /nfs/dbraw/zinc/16/70/98/647167098.db2.gz LQTFTOBNBQNQQZ-BZUAXINKSA-N 1 0 301.390 2.405 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+](C)C2CC(O)C2)c1O ZINC000761218308 647197762 /nfs/dbraw/zinc/19/77/62/647197762.db2.gz ABGCMAMLLVXORN-UHFFFAOYSA-N 1 0 300.196 2.418 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000914254925 647241051 /nfs/dbraw/zinc/24/10/51/647241051.db2.gz VGMLBIWLRMKQHO-YOEHRIQHSA-N 1 0 318.465 2.425 20 10 DECDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000817413128 647289324 /nfs/dbraw/zinc/28/93/24/647289324.db2.gz UOWMRKDAFWYBOA-HOCLYGCPSA-N 1 0 322.424 2.113 20 10 DECDRO C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817890397 647371290 /nfs/dbraw/zinc/37/12/90/647371290.db2.gz XJORDKSLHOQTCU-RHSMWYFYSA-N 1 0 305.491 2.470 20 10 DECDRO C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817892833 647372908 /nfs/dbraw/zinc/37/29/08/647372908.db2.gz WERZZUVMYDRIFX-DAYGRLMNSA-N 1 0 303.450 2.314 20 10 DECDRO CC(C)[C@H](C(=O)NCCCSc1nccs1)[C@@H](C)[NH3+] ZINC000817940545 647387903 /nfs/dbraw/zinc/38/79/03/647387903.db2.gz JSLJUZBJJUGAPM-MNOVXSKESA-N 1 0 301.481 2.361 20 10 DECDRO CC(C)[C@H](C(=O)NCCCSc1nccs1)[C@H](C)[NH3+] ZINC000817940546 647388145 /nfs/dbraw/zinc/38/81/45/647388145.db2.gz JSLJUZBJJUGAPM-QWRGUYRKSA-N 1 0 301.481 2.361 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817946883 647390771 /nfs/dbraw/zinc/39/07/71/647390771.db2.gz HECILNILXWAZHR-DYEKYZERSA-N 1 0 306.406 2.218 20 10 DECDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000817965784 647395884 /nfs/dbraw/zinc/39/58/84/647395884.db2.gz VDEGKTSWSXOASB-ZETCQYMHSA-N 1 0 303.175 2.164 20 10 DECDRO COCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC[NH2+]CC1 ZINC000817975007 647397621 /nfs/dbraw/zinc/39/76/21/647397621.db2.gz PTLJYFSXTQYWPL-NSHDSACASA-N 1 0 314.376 2.337 20 10 DECDRO COCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC[NH2+]CC1 ZINC000817975006 647398059 /nfs/dbraw/zinc/39/80/59/647398059.db2.gz PTLJYFSXTQYWPL-LLVKDONJSA-N 1 0 314.376 2.337 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000730817295 647411885 /nfs/dbraw/zinc/41/18/85/647411885.db2.gz KUEJNWOILQZOLN-UHFFFAOYSA-N 1 0 322.449 2.380 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)Cn3cccn3)C2)cc1 ZINC000818342721 647456300 /nfs/dbraw/zinc/45/63/00/647456300.db2.gz UXEFUYWYWYLMOW-JKSUJKDBSA-N 1 0 314.433 2.396 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc2c(cc1O)CCCC2 ZINC000818362005 647458059 /nfs/dbraw/zinc/45/80/59/647458059.db2.gz NLNHCLNIPKETEV-XHDPSFHLSA-N 1 0 316.401 2.069 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CN1CCCC1 ZINC000917013988 647955321 /nfs/dbraw/zinc/95/53/21/647955321.db2.gz KSNMQEQREHOCSD-LJQANCHMSA-N 1 0 319.493 2.420 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921330106 648289611 /nfs/dbraw/zinc/28/96/11/648289611.db2.gz CLKJEYKQGZBZOM-VXGBXAGGSA-N 1 0 309.385 2.203 20 10 DECDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501417 648598415 /nfs/dbraw/zinc/59/84/15/648598415.db2.gz KFYPZLLJBFGEFE-MSOLQXFVSA-N 1 0 312.413 2.450 20 10 DECDRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(F)ccc2O)c2ccccc21 ZINC000824514700 648600091 /nfs/dbraw/zinc/60/00/91/648600091.db2.gz BODYQGMVSZEHBK-GFCCVEGCSA-N 1 0 321.373 2.192 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000824583424 648616758 /nfs/dbraw/zinc/61/67/58/648616758.db2.gz LIMDAIQKZWSBHI-HNNXBMFYSA-N 1 0 312.841 2.290 20 10 DECDRO OC[C@@H]([C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1)C1CC1 ZINC000824845134 648661062 /nfs/dbraw/zinc/66/10/62/648661062.db2.gz IFAOYOZOCUUERU-DYVFJYSZSA-N 1 0 305.374 2.008 20 10 DECDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824882704 648666170 /nfs/dbraw/zinc/66/61/70/648666170.db2.gz BUVDYXBTZRPRCE-CQSZACIVSA-N 1 0 312.841 2.243 20 10 DECDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000825045461 648691359 /nfs/dbraw/zinc/69/13/59/648691359.db2.gz FGEMYWXPZAFKGM-BBRMVZONSA-N 1 0 305.353 2.275 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCN2CCSCC2)cc1Cl ZINC000825425689 648759273 /nfs/dbraw/zinc/75/92/73/648759273.db2.gz HGLOTPJKFHUDDP-UHFFFAOYSA-N 1 0 300.855 2.492 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1O ZINC000825567995 648782011 /nfs/dbraw/zinc/78/20/11/648782011.db2.gz QFDLLTBMRYOEAF-CABZTGNLSA-N 1 0 300.196 2.357 20 10 DECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825624287 648789943 /nfs/dbraw/zinc/78/99/43/648789943.db2.gz KKZZEORWBFTXJD-UHFFFAOYSA-N 1 0 310.369 2.183 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@H]1CO ZINC000825634229 648791729 /nfs/dbraw/zinc/79/17/29/648791729.db2.gz JXNLKZJEJRIYAY-SKDRFNHKSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl ZINC000825658939 648795360 /nfs/dbraw/zinc/79/53/60/648795360.db2.gz UQCALLCMIRSXKB-ITDIGPHOSA-N 1 0 308.809 2.440 20 10 DECDRO Cc1cc(O)c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000825745284 648808231 /nfs/dbraw/zinc/80/82/31/648808231.db2.gz WZAOVMVGMNPIDH-OLZOCXBDSA-N 1 0 312.841 2.241 20 10 DECDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(OC)cc1O ZINC000825752473 648808864 /nfs/dbraw/zinc/80/88/64/648808864.db2.gz BETLJBFINNQUCR-OAHLLOKOSA-N 1 0 309.406 2.322 20 10 DECDRO C/C(=C/C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21)c1cnccn1 ZINC000825805631 648813232 /nfs/dbraw/zinc/81/32/32/648813232.db2.gz KYBJFVSJSDLCQQ-DNXIFWLFSA-N 1 0 322.412 2.399 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000825973767 648833045 /nfs/dbraw/zinc/83/30/45/648833045.db2.gz QDQGMTMYQFEXEU-KRWDZBQOSA-N 1 0 315.392 2.250 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000826019413 648838924 /nfs/dbraw/zinc/83/89/24/648838924.db2.gz FDYFMSIWVNFFEU-HKUYNNGSSA-N 1 0 315.461 2.491 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C2CC2)cc1Cl ZINC000826120321 648853102 /nfs/dbraw/zinc/85/31/02/648853102.db2.gz BUPMONNQIHSKRN-UHFFFAOYSA-N 1 0 303.811 2.021 20 10 DECDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000826539009 648874595 /nfs/dbraw/zinc/87/45/95/648874595.db2.gz NJISNLIZEOEFBB-SECBINFHSA-N 1 0 300.196 2.500 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1Cl ZINC000826853693 648937891 /nfs/dbraw/zinc/93/78/91/648937891.db2.gz XVJGNWDJFSFKDU-LBPRGKRZSA-N 1 0 306.797 2.468 20 10 DECDRO CO[C@@]1(CO)CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000826952860 648952308 /nfs/dbraw/zinc/95/23/08/648952308.db2.gz VJMDQVIEJRJLSW-SUZKBHRPSA-N 1 0 304.434 2.239 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320443 649014393 /nfs/dbraw/zinc/01/43/93/649014393.db2.gz IUCZNTXMXLYMHT-CQSZACIVSA-N 1 0 321.490 2.244 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCSc1nccs1 ZINC000182992894 649026104 /nfs/dbraw/zinc/02/61/04/649026104.db2.gz PDYWBBGKQDHLMN-JTQLQIEISA-N 1 0 308.494 2.038 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000827459035 649037465 /nfs/dbraw/zinc/03/74/65/649037465.db2.gz RAXCHMDJJNJSIM-HNNXBMFYSA-N 1 0 319.449 2.122 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)c1 ZINC000827634078 649060039 /nfs/dbraw/zinc/06/00/39/649060039.db2.gz HRLYTYHINFJABO-AWEZNQCLSA-N 1 0 318.417 2.235 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(NC(=O)OC)CC2)c(O)c1 ZINC000827933733 649107394 /nfs/dbraw/zinc/10/73/94/649107394.db2.gz DKLDZWZPGQAHRH-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000827950299 649110526 /nfs/dbraw/zinc/11/05/26/649110526.db2.gz RONUQCRTLLSMNA-MRXNPFEDSA-N 1 0 303.358 2.233 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000828667189 649208068 /nfs/dbraw/zinc/20/80/68/649208068.db2.gz NXRFAJNJTMLZFD-MLGOLLRUSA-N 1 0 314.385 2.321 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000831031227 649531345 /nfs/dbraw/zinc/53/13/45/649531345.db2.gz MXPGYAOMIMEWQE-QGZVFWFLSA-N 1 0 322.428 2.223 20 10 DECDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000733327988 649543805 /nfs/dbraw/zinc/54/38/05/649543805.db2.gz ONQVTXTZXYDKBO-KRWDZBQOSA-N 1 0 308.397 2.179 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000831186061 649550476 /nfs/dbraw/zinc/55/04/76/649550476.db2.gz IPFOPIWAMOHFIR-BBRMVZONSA-N 1 0 316.449 2.255 20 10 DECDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000832266778 649690469 /nfs/dbraw/zinc/69/04/69/649690469.db2.gz IMHKVVBGDOEJBK-SKDRFNHKSA-N 1 0 303.328 2.067 20 10 DECDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000832266777 649690518 /nfs/dbraw/zinc/69/05/18/649690518.db2.gz IMHKVVBGDOEJBK-JOYOIKCWSA-N 1 0 303.328 2.067 20 10 DECDRO CC(C)OCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278132 649691328 /nfs/dbraw/zinc/69/13/28/649691328.db2.gz AVJBEJZXDUVOAN-INIZCTEOSA-N 1 0 307.438 2.074 20 10 DECDRO Cc1cc(C(=O)NC(C)(C)CC[NH3+])c(C)n1-c1ccccn1 ZINC000844203051 651091358 /nfs/dbraw/zinc/09/13/58/651091358.db2.gz ZGQHDBZKHYWKPZ-UHFFFAOYSA-N 1 0 300.406 2.346 20 10 DECDRO CN1CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000844307893 651108853 /nfs/dbraw/zinc/10/88/53/651108853.db2.gz VRRNNSUYQFKBJK-IAGOWNOFSA-N 1 0 304.434 2.467 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCc2ccnn2C)cc1 ZINC000844400310 651122870 /nfs/dbraw/zinc/12/28/70/651122870.db2.gz AHZAMLXRAPUUJU-UHFFFAOYSA-N 1 0 302.422 2.039 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCOC[C@H]2CCCO2)cc1 ZINC000844401350 651123299 /nfs/dbraw/zinc/12/32/99/651123299.db2.gz MJVLGWTVMLXFFV-GOSISDBHSA-N 1 0 322.449 2.259 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000844418716 651125692 /nfs/dbraw/zinc/12/56/92/651125692.db2.gz SICIEINRUFWYEQ-UHFFFAOYSA-N 1 0 301.434 2.291 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844471694 651133378 /nfs/dbraw/zinc/13/33/78/651133378.db2.gz RBIUUPXPNQEHBD-INIZCTEOSA-N 1 0 323.387 2.100 20 10 DECDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000844902208 651180957 /nfs/dbraw/zinc/18/09/57/651180957.db2.gz LBFLYGGKEWKJTL-XNRPHZJLSA-N 1 0 308.397 2.250 20 10 DECDRO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+](C)C1CC1 ZINC000844951625 651187322 /nfs/dbraw/zinc/18/73/22/651187322.db2.gz DCBNJLAMOLTPHM-SNVBAGLBSA-N 1 0 311.813 2.328 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000845010521 651193107 /nfs/dbraw/zinc/19/31/07/651193107.db2.gz MPMBHTTUSRTDRP-MFKMUULPSA-N 1 0 311.813 2.328 20 10 DECDRO C[C@H](O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000846016013 651301614 /nfs/dbraw/zinc/30/16/14/651301614.db2.gz FKERUEKJRATOLL-DYZYQPBXSA-N 1 0 319.332 2.472 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846071003 651306274 /nfs/dbraw/zinc/30/62/74/651306274.db2.gz GDBBLYHZFJPJNZ-NWDGAFQWSA-N 1 0 304.390 2.062 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C1CC1 ZINC000846123027 651309249 /nfs/dbraw/zinc/30/92/49/651309249.db2.gz NNKXJXRZWHOATC-LSDHHAIUSA-N 1 0 305.374 2.032 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1O ZINC000846144279 651310659 /nfs/dbraw/zinc/31/06/59/651310659.db2.gz KCFLNGDBCAZUMN-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1O ZINC000846149744 651311179 /nfs/dbraw/zinc/31/11/79/651311179.db2.gz QVXVDOKHZABMDB-GFCCVEGCSA-N 1 0 314.385 2.393 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000846174048 651313169 /nfs/dbraw/zinc/31/31/69/651313169.db2.gz WHAMHSWJGMBIKW-GFCCVEGCSA-N 1 0 314.385 2.279 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)CCCCC[NH3+])cc1 ZINC000846696235 651346448 /nfs/dbraw/zinc/34/64/48/651346448.db2.gz CTNRVFXBANSGKC-UHFFFAOYSA-N 1 0 307.438 2.109 20 10 DECDRO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000847357264 651391264 /nfs/dbraw/zinc/39/12/64/651391264.db2.gz WWNUPHTYPQMDHH-CPUCHLNUSA-N 1 0 318.465 2.453 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1O ZINC000848898924 651551140 /nfs/dbraw/zinc/55/11/40/651551140.db2.gz AFVZCLUYXNCPQW-LBPRGKRZSA-N 1 0 302.374 2.342 20 10 DECDRO CCc1cccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1O ZINC000848902416 651552371 /nfs/dbraw/zinc/55/23/71/651552371.db2.gz CUPCUOBQDJNXTA-UHFFFAOYSA-N 1 0 316.380 2.206 20 10 DECDRO CCc1cccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000848914703 651560122 /nfs/dbraw/zinc/56/01/22/651560122.db2.gz RJYJESQBAKJNRS-MSOLQXFVSA-N 1 0 305.418 2.364 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848926759 651564103 /nfs/dbraw/zinc/56/41/03/651564103.db2.gz YGBIHMAABRMYPT-LBPRGKRZSA-N 1 0 306.797 2.130 20 10 DECDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])N3CCC3)cc2F)C[C@H](C)O1 ZINC000849110872 651602371 /nfs/dbraw/zinc/60/23/71/651602371.db2.gz FCXURNQRGUAUQD-STQMWFEESA-N 1 0 320.412 2.169 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855899384 651803636 /nfs/dbraw/zinc/80/36/36/651803636.db2.gz KOVMAHQEXZZADB-YVARQFDVSA-N 1 0 318.417 2.348 20 10 DECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000850072984 651820125 /nfs/dbraw/zinc/82/01/25/651820125.db2.gz SOHFTDROQSHHEW-GOEBONIOSA-N 1 0 322.424 2.444 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4n3CCC4)C2)cc1 ZINC000850346936 651904793 /nfs/dbraw/zinc/90/47/93/651904793.db2.gz LJIGGGJYCLLITH-CQSZACIVSA-N 1 0 312.417 2.206 20 10 DECDRO CCc1ncc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850346107 651905090 /nfs/dbraw/zinc/90/50/90/651905090.db2.gz CLNZGDSIFOZDIH-OAHLLOKOSA-N 1 0 312.417 2.416 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](CO)C3CCC3)CC2)cc1 ZINC000850350531 651906560 /nfs/dbraw/zinc/90/65/60/651906560.db2.gz RVWQSXPQGKKQJO-SFHVURJKSA-N 1 0 304.434 2.415 20 10 DECDRO CN1c2ccccc2C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000850352889 651908209 /nfs/dbraw/zinc/90/82/09/651908209.db2.gz LDTSWIRKCYCNBP-MRXNPFEDSA-N 1 0 308.381 2.299 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488764 651937897 /nfs/dbraw/zinc/93/78/97/651937897.db2.gz OLOBSNHSTGXOKM-STQMWFEESA-N 1 0 314.389 2.120 20 10 DECDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(F)ccc(O)c1O ZINC000857322978 652105448 /nfs/dbraw/zinc/10/54/48/652105448.db2.gz WDBCCSPMTYLRKA-NSHDSACASA-N 1 0 322.380 2.374 20 10 DECDRO Cn1cc(/C=C/C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857930138 652208742 /nfs/dbraw/zinc/20/87/42/652208742.db2.gz FLKLAMGVZUHKBR-YRYLYKBFSA-N 1 0 324.428 2.343 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1F ZINC000858149931 652266619 /nfs/dbraw/zinc/26/66/19/652266619.db2.gz AGKHBAQXEBIYAJ-GFCCVEGCSA-N 1 0 306.360 2.401 20 10 DECDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858229356 652284735 /nfs/dbraw/zinc/28/47/35/652284735.db2.gz UBDXMGRSVHBIID-QAPCUYQASA-N 1 0 302.418 2.180 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1O ZINC000858232436 652285062 /nfs/dbraw/zinc/28/50/62/652285062.db2.gz XVRHFQYAPHNYDS-GFCCVEGCSA-N 1 0 300.349 2.220 20 10 DECDRO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434778 652335849 /nfs/dbraw/zinc/33/58/49/652335849.db2.gz PEWSIDWQQVQQFH-WBMJQRKESA-N 1 0 315.417 2.389 20 10 DECDRO Cc1cc(C[N@@H+]2CCC(CO)(CO)C2)ccc1N1CCCCC1 ZINC000852631999 652430345 /nfs/dbraw/zinc/43/03/45/652430345.db2.gz NRFIUEKLEXXLSY-UHFFFAOYSA-N 1 0 318.461 2.162 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000852867156 652472688 /nfs/dbraw/zinc/47/26/88/652472688.db2.gz RPPSQEWDMHGLPU-WKILWMFISA-N 1 0 301.434 2.276 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000852883131 652474826 /nfs/dbraw/zinc/47/48/26/652474826.db2.gz BFNJKXSSWKWMKL-NSHDSACASA-N 1 0 304.390 2.253 20 10 DECDRO C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000854230593 652662587 /nfs/dbraw/zinc/66/25/87/652662587.db2.gz VFDSGORCCKRRGM-HNAYVOBHSA-N 1 0 317.477 2.268 20 10 DECDRO CCn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000112097291 652670951 /nfs/dbraw/zinc/67/09/51/652670951.db2.gz LLLJQVIRPSLRAP-UHFFFAOYSA-N 1 0 300.406 2.029 20 10 DECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000858580278 685561386 /nfs/dbraw/zinc/56/13/86/685561386.db2.gz MUUSPOSBDHGILU-RYUDHWBXSA-N 1 0 306.406 2.330 20 10 DECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000858587170 685563122 /nfs/dbraw/zinc/56/31/22/685563122.db2.gz JFKFBUAURTVNDU-VHSXEESVSA-N 1 0 300.786 2.413 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602977 685566907 /nfs/dbraw/zinc/56/69/07/685566907.db2.gz OISDFZPOIKALBD-ABAIWWIYSA-N 1 0 304.390 2.205 20 10 DECDRO COC(=O)CCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000859059914 685646544 /nfs/dbraw/zinc/64/65/44/685646544.db2.gz KXONOTRYEIWNAH-UHFFFAOYSA-N 1 0 320.433 2.298 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000123990852 684130104 /nfs/dbraw/zinc/13/01/04/684130104.db2.gz BSMNTEBTHNVJDC-VQISRLSMSA-N 1 0 309.793 2.451 20 10 DECDRO Oc1ccc(Cl)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000139742375 684251441 /nfs/dbraw/zinc/25/14/41/684251441.db2.gz OLXCRDPIYTVWGD-OAHLLOKOSA-N 1 0 310.825 2.342 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000861662909 686165621 /nfs/dbraw/zinc/16/56/21/686165621.db2.gz KZIQVJUKKDVHBP-MRXNPFEDSA-N 1 0 316.449 2.179 20 10 DECDRO CN(C)c1cc(F)c(CN(CC(N)=O)C2CCCC2)cc1F ZINC000862220341 686256987 /nfs/dbraw/zinc/25/69/87/686256987.db2.gz WIUSDHBVMINRDM-UHFFFAOYSA-N 1 0 311.376 2.261 20 10 DECDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862225274 686259232 /nfs/dbraw/zinc/25/92/32/686259232.db2.gz QCQAYWHBLNZIMY-QWRGUYRKSA-N 1 0 311.376 2.117 20 10 DECDRO COc1cc(C[N@H+](C)[C@]2(CO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000862427722 686300361 /nfs/dbraw/zinc/30/03/61/686300361.db2.gz DONZCNYPLKXALR-SFHVURJKSA-N 1 0 323.433 2.282 20 10 DECDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000863540208 686517501 /nfs/dbraw/zinc/51/75/01/686517501.db2.gz CITGBLJWXLXWKX-CRAIPNDOSA-N 1 0 315.461 2.458 20 10 DECDRO COCc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000863641529 686538186 /nfs/dbraw/zinc/53/81/86/686538186.db2.gz GNTSVDYXKXSYKA-KRWDZBQOSA-N 1 0 303.406 2.282 20 10 DECDRO CN(C)c1ccc(CNC(=[NH2+])Nc2ccc(CCO)cc2)cc1 ZINC000864450785 686723392 /nfs/dbraw/zinc/72/33/92/686723392.db2.gz SZCOYMWSWZAJLR-UHFFFAOYSA-N 1 0 312.417 2.424 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccccc1O ZINC000865269105 687163711 /nfs/dbraw/zinc/16/37/11/687163711.db2.gz AELBUUHWAHSGBK-CHWSQXEVSA-N 1 0 307.463 2.402 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cncc(Cl)n3)cc2)CC1 ZINC000865295147 687169986 /nfs/dbraw/zinc/16/99/86/687169986.db2.gz ZVJGOXYGNZOWKB-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000865749349 687321778 /nfs/dbraw/zinc/32/17/78/687321778.db2.gz QVOUVILBOUULGO-UHFFFAOYSA-N 1 0 311.433 2.301 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001018813231 688237136 /nfs/dbraw/zinc/23/71/36/688237136.db2.gz DAQQBRFIHVRSTC-KBPBESRZSA-N 1 0 324.371 2.349 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000872292806 688975890 /nfs/dbraw/zinc/97/58/90/688975890.db2.gz RXQGXJWZFLPQQV-LNSITVRQSA-N 1 0 306.406 2.486 20 10 DECDRO COc1cc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c(O)cc1C ZINC000872676864 689063337 /nfs/dbraw/zinc/06/33/37/689063337.db2.gz YLQMKWXPCQAONM-CQSZACIVSA-N 1 0 306.406 2.152 20 10 DECDRO O=C1NCCC12CC[NH+](Cc1cc3c(cc1O)CCCC3)CC2 ZINC000872789327 689094164 /nfs/dbraw/zinc/09/41/64/689094164.db2.gz PCZQLXYCUAYYDW-UHFFFAOYSA-N 1 0 314.429 2.373 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)O)cc1Cn1cccn1 ZINC000873035268 689145920 /nfs/dbraw/zinc/14/59/20/689145920.db2.gz HSRCOJVCEGNDPU-ZDUSSCGKSA-N 1 0 303.406 2.189 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C)n[nH]2)cc1Cn1cccn1 ZINC000873057572 689149734 /nfs/dbraw/zinc/14/97/34/689149734.db2.gz USJRUCOWMAXLPD-UHFFFAOYSA-N 1 0 311.389 2.261 20 10 DECDRO CCCOc1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1C ZINC000873126569 689164471 /nfs/dbraw/zinc/16/44/71/689164471.db2.gz AHCRVJUFPKOWCV-UHFFFAOYSA-N 1 0 318.421 2.048 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1Cn1cccn1 ZINC000873134730 689167079 /nfs/dbraw/zinc/16/70/79/689167079.db2.gz TYRNSYHDWFHWDV-XJKSGUPXSA-N 1 0 301.390 2.207 20 10 DECDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000873182793 689178240 /nfs/dbraw/zinc/17/82/40/689178240.db2.gz VBJSPNKJVXBTKO-UMSPYCQHSA-N 1 0 321.373 2.331 20 10 DECDRO C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1=CC[N@H+](C)CC1 ZINC000875474506 689632308 /nfs/dbraw/zinc/63/23/08/689632308.db2.gz ALTGTQUFKDOXSI-LBPRGKRZSA-N 1 0 301.390 2.068 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC000876506605 689841847 /nfs/dbraw/zinc/84/18/47/689841847.db2.gz MJJDFBBENDIYQK-LESCRADOSA-N 1 0 301.434 2.449 20 10 DECDRO C[C@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000876512553 689843464 /nfs/dbraw/zinc/84/34/64/689843464.db2.gz RSNIGJVZXFDMMX-GJZGRUSLSA-N 1 0 304.434 2.257 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000876512552 689843537 /nfs/dbraw/zinc/84/35/37/689843537.db2.gz RSNIGJVZXFDMMX-GASCZTMLSA-N 1 0 304.434 2.257 20 10 DECDRO CO[C@]1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCOC1 ZINC000876531653 689849233 /nfs/dbraw/zinc/84/92/33/689849233.db2.gz LJPDGERTBSKXGI-WMZOPIPTSA-N 1 0 321.417 2.179 20 10 DECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC000876763859 689929166 /nfs/dbraw/zinc/92/91/66/689929166.db2.gz MFLLYRWTGZJXAR-DLBZAZTESA-N 1 0 305.418 2.453 20 10 DECDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000876767246 689931079 /nfs/dbraw/zinc/93/10/79/689931079.db2.gz FARQFZRVQOXPHI-BZOVTKSESA-N 1 0 301.434 2.089 20 10 DECDRO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(O)c1 ZINC000876810319 689943854 /nfs/dbraw/zinc/94/38/54/689943854.db2.gz RLUATJPWDFOAHM-DOTOQJQBSA-N 1 0 315.417 2.380 20 10 DECDRO Cc1ccc(C[NH2+]CCNC(=O)Cc2cccc(F)c2)c(O)c1 ZINC000876873296 689960116 /nfs/dbraw/zinc/96/01/16/689960116.db2.gz BJWIJVPCWCGRDY-UHFFFAOYSA-N 1 0 316.376 2.288 20 10 DECDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1ccccc1O ZINC000876996472 689993118 /nfs/dbraw/zinc/99/31/18/689993118.db2.gz VJEDRZIIQAKLAY-UHFFFAOYSA-N 1 0 317.389 2.371 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]c1C ZINC000876996656 689993215 /nfs/dbraw/zinc/99/32/15/689993215.db2.gz XYOXKTVOILHJKP-UHFFFAOYSA-N 1 0 300.358 2.334 20 10 DECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877027804 690000937 /nfs/dbraw/zinc/00/09/37/690000937.db2.gz SQYNLKGVXLUVPI-SFHVURJKSA-N 1 0 306.450 2.288 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(C)n1-c1ccccn1 ZINC000877052844 690007973 /nfs/dbraw/zinc/00/79/73/690007973.db2.gz XKFXGVJSIBSAKE-DOMZBBRYSA-N 1 0 312.417 2.359 20 10 DECDRO CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1 ZINC000877114089 690021106 /nfs/dbraw/zinc/02/11/06/690021106.db2.gz VAAPCTGVOHUWLM-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000877571014 690154999 /nfs/dbraw/zinc/15/49/99/690154999.db2.gz QHRDTSDQMWBQFA-CXAGYDPISA-N 1 0 301.390 2.444 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CC4(CC4(F)F)C3)cc2)CC1 ZINC000877617742 690169206 /nfs/dbraw/zinc/16/92/06/690169206.db2.gz ULLWJDRIUVVTOI-UHFFFAOYSA-N 1 0 308.372 2.489 20 10 DECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877626711 690171343 /nfs/dbraw/zinc/17/13/43/690171343.db2.gz YMGHLLTXCFZOFW-RZDIXWSQSA-N 1 0 304.434 2.305 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000877675872 690186779 /nfs/dbraw/zinc/18/67/79/690186779.db2.gz VFLYZSOYZZVDHU-LLVKDONJSA-N 1 0 304.247 2.016 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c1O ZINC000877676016 690187032 /nfs/dbraw/zinc/18/70/32/690187032.db2.gz XBCMWZYMKDEMGO-HNNXBMFYSA-N 1 0 306.406 2.282 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693872 690194308 /nfs/dbraw/zinc/19/43/08/690194308.db2.gz SWXBGKMJDMMAKT-KGFZYKRKSA-N 1 0 313.703 2.456 20 10 DECDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877753331 690216990 /nfs/dbraw/zinc/21/69/90/690216990.db2.gz NLQQMWSCCBGTIU-KRWDZBQOSA-N 1 0 304.434 2.116 20 10 DECDRO C[C@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1O ZINC000877758250 690218218 /nfs/dbraw/zinc/21/82/18/690218218.db2.gz PEITXBHWDUKXJC-GXTWGEPZSA-N 1 0 302.378 2.014 20 10 DECDRO OC[C@H]1CSCCN1Cc1c(O)cccc1Br ZINC000877780506 690225448 /nfs/dbraw/zinc/22/54/48/690225448.db2.gz STGDYFXYIKPCGK-VIFPVBQESA-N 1 0 318.236 2.064 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC000880523504 690918164 /nfs/dbraw/zinc/91/81/64/690918164.db2.gz IIFHTQXQQAOUAK-RDJZCZTQSA-N 1 0 301.434 2.243 20 10 DECDRO CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059740 691006512 /nfs/dbraw/zinc/00/65/12/691006512.db2.gz HQJUGMFMVNOXFK-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853480 691174038 /nfs/dbraw/zinc/17/40/38/691174038.db2.gz XTKQFJHDEWAQLQ-NVXWUHKLSA-N 1 0 301.434 2.101 20 10 DECDRO Cc1cc[nH]c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854224 691174436 /nfs/dbraw/zinc/17/44/36/691174436.db2.gz XTVHZYOJFVXNHZ-UHFFFAOYSA-N 1 0 312.417 2.005 20 10 DECDRO Cc1cocc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855427 691174448 /nfs/dbraw/zinc/17/44/48/691174448.db2.gz WIFFPLFVWNSXON-UHFFFAOYSA-N 1 0 313.401 2.270 20 10 DECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000883316527 691480374 /nfs/dbraw/zinc/48/03/74/691480374.db2.gz BNQOUXJZLDXQOB-GASCZTMLSA-N 1 0 308.397 2.177 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883395969 691496964 /nfs/dbraw/zinc/49/69/64/691496964.db2.gz GIIPDPLWVAVHFD-AAEUAGOBSA-N 1 0 304.390 2.062 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402834 691498937 /nfs/dbraw/zinc/49/89/37/691498937.db2.gz BPNPQYVDPQNCDX-LIMHQNJXSA-N 1 0 313.445 2.366 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884306211 691705664 /nfs/dbraw/zinc/70/56/64/691705664.db2.gz YGAHEFVVNDEKCP-MRXNPFEDSA-N 1 0 303.450 2.347 20 10 DECDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)O2)CO1 ZINC000886334334 692059693 /nfs/dbraw/zinc/05/96/93/692059693.db2.gz VNQCPDNSPNLFLT-RPVQJOFSSA-N 1 0 303.402 2.438 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000890073772 692853385 /nfs/dbraw/zinc/85/33/85/692853385.db2.gz SFLSNIGJPUREIZ-QGZVFWFLSA-N 1 0 318.465 2.378 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894215349 692979644 /nfs/dbraw/zinc/97/96/44/692979644.db2.gz QOXVUTBUPYRGKT-CYBMUJFWSA-N 1 0 308.378 2.030 20 10 DECDRO COc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791632 693343037 /nfs/dbraw/zinc/34/30/37/693343037.db2.gz MKQHDWRZSRZDRE-KBPBESRZSA-N 1 0 320.433 2.210 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1O ZINC000926955328 693535858 /nfs/dbraw/zinc/53/58/58/693535858.db2.gz LFEORQHICUQXJW-NSHDSACASA-N 1 0 315.435 2.122 20 10 DECDRO Oc1cccc(Cl)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333735400 1150084977 /nfs/dbraw/zinc/08/49/77/1150084977.db2.gz YTYJVHYSZPSJDK-LBPRGKRZSA-N 1 0 311.809 2.409 20 10 DECDRO COc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)c(O)c1OC ZINC001335550836 1150450746 /nfs/dbraw/zinc/45/07/46/1150450746.db2.gz RGTPRDCPOUZIDF-UHFFFAOYSA-N 1 0 303.362 2.081 20 10 DECDRO Nc1ccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)cc1 ZINC001345159352 1150869598 /nfs/dbraw/zinc/86/95/98/1150869598.db2.gz GWPKSTGVDVETIK-UHFFFAOYSA-N 1 0 323.400 2.173 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)n1-c1ccccn1 ZINC001345514434 1150893652 /nfs/dbraw/zinc/89/36/52/1150893652.db2.gz WVVWESMJGNWHJQ-VNQPRFMTSA-N 1 0 310.401 2.112 20 10 DECDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001346151144 1150945745 /nfs/dbraw/zinc/94/57/45/1150945745.db2.gz SLKLPZAGYLHBHF-GOSISDBHSA-N 1 0 324.428 2.343 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001358167280 1152367907 /nfs/dbraw/zinc/36/79/07/1152367907.db2.gz GANJRFOQOAZVRW-BFQNTYOBSA-N 1 0 306.381 2.316 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCn1cc(CO)nn1 ZINC001347341673 1151057932 /nfs/dbraw/zinc/05/79/32/1151057932.db2.gz SBJODZBMYMXMKS-TZMCWYRMSA-N 1 0 316.405 2.013 20 10 DECDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1O ZINC001347862488 1151103079 /nfs/dbraw/zinc/10/30/79/1151103079.db2.gz XTPVRKNGZLPUTI-ZDUSSCGKSA-N 1 0 306.406 2.338 20 10 DECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(C)cc(OC)c2O)C1(C)C ZINC001332707458 1149882200 /nfs/dbraw/zinc/88/22/00/1149882200.db2.gz JWZUBCCDWBIRLK-QAPCUYQASA-N 1 0 323.433 2.365 20 10 DECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140100899 776794605 /nfs/dbraw/zinc/79/46/05/776794605.db2.gz FNSLOAPHAFVNIW-NXEZZACHSA-N 1 0 300.196 2.500 20 10 DECDRO Oc1cccc(Br)c1CN1CC[NH+]2CCC1CC2 ZINC000722814670 776842999 /nfs/dbraw/zinc/84/29/99/776842999.db2.gz UVDZIJOVLWNNEL-UHFFFAOYSA-N 1 0 311.223 2.435 20 10 DECDRO Oc1cc(Cl)ccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001140461003 777169169 /nfs/dbraw/zinc/16/91/69/777169169.db2.gz AVSNKNMQGYLFAU-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515424 790942099 /nfs/dbraw/zinc/94/20/99/790942099.db2.gz OCXBZTOYKZZWAV-NSHDSACASA-N 1 0 323.389 2.500 20 10 DECDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515047 790942397 /nfs/dbraw/zinc/94/23/97/790942397.db2.gz CMBGNPUYLSJHGK-UHFFFAOYSA-N 1 0 322.405 2.025 20 10 DECDRO CCc1nc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)no1 ZINC001144515786 790943964 /nfs/dbraw/zinc/94/39/64/790943964.db2.gz YWEWVOKULDACLX-UHFFFAOYSA-N 1 0 319.361 2.128 20 10 DECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691440431 785539450 /nfs/dbraw/zinc/53/94/50/785539450.db2.gz QHMXVJWHWKMVJQ-UFBFGSQYSA-N 1 0 320.252 2.357 20 10 DECDRO CCOCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001130412885 787381667 /nfs/dbraw/zinc/38/16/67/787381667.db2.gz HEDGLGXQJLYLMV-UHFFFAOYSA-N 1 0 320.433 2.026 20 10 DECDRO CC[C@H](C)[C@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130514760 787416203 /nfs/dbraw/zinc/41/62/03/787416203.db2.gz DXCLURPHFNIQEA-GUYCJALGSA-N 1 0 322.449 2.271 20 10 DECDRO CCC[C@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001132298779 788008330 /nfs/dbraw/zinc/00/83/30/788008330.db2.gz OEFSUGOIAODRID-INIZCTEOSA-N 1 0 308.422 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](F)C2)cc1C ZINC001132943473 788234674 /nfs/dbraw/zinc/23/46/74/788234674.db2.gz JVDACNAVNYQCBN-CABCVRRESA-N 1 0 308.397 2.348 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)[C@@H]2CCCO2)cc1C ZINC001133523460 788463806 /nfs/dbraw/zinc/46/38/06/788463806.db2.gz BZCCMOMAZLERBW-YOEHRIQHSA-N 1 0 320.433 2.025 20 10 DECDRO C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663102 791328313 /nfs/dbraw/zinc/32/83/13/791328313.db2.gz KPBOJUZVYIFTTC-QWRGUYRKSA-N 1 0 323.372 2.305 20 10 DECDRO C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663100 791328355 /nfs/dbraw/zinc/32/83/55/791328355.db2.gz KPBOJUZVYIFTTC-GHMZBOCLSA-N 1 0 323.372 2.305 20 10 DECDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001148322382 791731902 /nfs/dbraw/zinc/73/19/02/791731902.db2.gz YIDRTIMDRSCZBM-UHFFFAOYSA-N 1 0 317.389 2.074 20 10 DECDRO Oc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC001173661765 793798759 /nfs/dbraw/zinc/79/87/59/793798759.db2.gz UQVVKYYXFDDQST-UHFFFAOYSA-N 1 0 304.312 2.214 20 10 DECDRO CCOc1ccc(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001116350747 794951574 /nfs/dbraw/zinc/95/15/74/794951574.db2.gz MEJKGFBQWSMBKO-UHFFFAOYSA-N 1 0 319.449 2.074 20 10 DECDRO CC(C)(C)[NH+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001116510261 794962160 /nfs/dbraw/zinc/96/21/60/794962160.db2.gz PPQIOBZAELWPJG-ALCCZGGFSA-N 1 0 304.390 2.054 20 10 DECDRO C[NH+](C)CC1(C(=O)NCc2c(O)cccc2O)CCCCC1 ZINC001178910930 795028907 /nfs/dbraw/zinc/02/89/07/795028907.db2.gz JASDUTCMEGNQSL-UHFFFAOYSA-N 1 0 306.406 2.226 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC001180126262 795245384 /nfs/dbraw/zinc/24/53/84/795245384.db2.gz LSBUNMQVXNLKPU-DHZHZOJOSA-N 1 0 301.434 2.320 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1OC ZINC001181775988 795537553 /nfs/dbraw/zinc/53/75/53/795537553.db2.gz JPOQYWVCJPPOQB-PWSUYJOCSA-N 1 0 303.362 2.402 20 10 DECDRO COc1cc(C)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c(O)c1 ZINC001182433878 795676356 /nfs/dbraw/zinc/67/63/56/795676356.db2.gz LDBBBJQUVCHTQI-NSHDSACASA-N 1 0 300.349 2.138 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)cc(O)c1O ZINC001204346722 795706377 /nfs/dbraw/zinc/70/63/77/795706377.db2.gz XAKPUDOXZLJCPZ-CYBMUJFWSA-N 1 0 307.390 2.355 20 10 DECDRO Oc1c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339857 796199821 /nfs/dbraw/zinc/19/98/21/796199821.db2.gz LWMQZPDJNFXYGG-WMLDXEAASA-N 1 0 314.429 2.312 20 10 DECDRO Oc1c(C[N@@H+]2CCOC3(CC3)C2)cc2c3c1CCCN3CCC2 ZINC001138341379 796200350 /nfs/dbraw/zinc/20/03/50/796200350.db2.gz DTIWFPBNQOIYFP-UHFFFAOYSA-N 1 0 314.429 2.456 20 10 DECDRO O[C@]1(CF)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496487 796227535 /nfs/dbraw/zinc/22/75/35/796227535.db2.gz RGJZMPWJCJGMDP-SFHVURJKSA-N 1 0 322.424 2.210 20 10 DECDRO CC[C@@H]1COCCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258242 796350036 /nfs/dbraw/zinc/35/00/36/796350036.db2.gz NLWYKTDQVYCCFT-OAHLLOKOSA-N 1 0 308.422 2.073 20 10 DECDRO Cc1cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)ccc1N(C)C ZINC001139671757 796407827 /nfs/dbraw/zinc/40/78/27/796407827.db2.gz ZKNISKOOBALQFJ-INIZCTEOSA-N 1 0 304.434 2.177 20 10 DECDRO Cc1cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)ccc1N(C)C ZINC001139671758 796407833 /nfs/dbraw/zinc/40/78/33/796407833.db2.gz ZKNISKOOBALQFJ-MRXNPFEDSA-N 1 0 304.434 2.177 20 10 DECDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140063585 796472339 /nfs/dbraw/zinc/47/23/39/796472339.db2.gz SZDVTXYSCFDFMA-NVXWUHKLSA-N 1 0 323.364 2.075 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001140098875 796476864 /nfs/dbraw/zinc/47/68/64/796476864.db2.gz PZWDLZSJHZHEGK-JQWIXIFHSA-N 1 0 304.159 2.059 20 10 DECDRO Cc1cc(N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)ncn1 ZINC001140185154 796487546 /nfs/dbraw/zinc/48/75/46/796487546.db2.gz QGRPOHVLONKPCK-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)Cc2ncn(C)c21 ZINC001140181873 796487725 /nfs/dbraw/zinc/48/77/25/796487725.db2.gz YNIMOJWAUCWMMR-AWEZNQCLSA-N 1 0 315.417 2.488 20 10 DECDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184230 796487772 /nfs/dbraw/zinc/48/77/72/796487772.db2.gz NZJZNOZZEDLZPP-HNNXBMFYSA-N 1 0 320.433 2.126 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN(C3CC3)C3COC3)cc2)CC1 ZINC001140306577 796505156 /nfs/dbraw/zinc/50/51/56/796505156.db2.gz UJORNBFBFMKQPX-UHFFFAOYSA-N 1 0 315.461 2.192 20 10 DECDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585456 796541665 /nfs/dbraw/zinc/54/16/65/796541665.db2.gz JCUSJVWMLGVCQY-GFCCVEGCSA-N 1 0 321.327 2.422 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC001140622661 796547166 /nfs/dbraw/zinc/54/71/66/796547166.db2.gz CPLWWSZGRSVVOY-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1 ZINC001140621647 796547174 /nfs/dbraw/zinc/54/71/74/796547174.db2.gz NYVWVKQUUQHWIC-SFHVURJKSA-N 1 0 310.401 2.345 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@]1(C)O ZINC001140660599 796552106 /nfs/dbraw/zinc/55/21/06/796552106.db2.gz XNEKBFFHPCMPTM-KSSFIOAISA-N 1 0 322.424 2.255 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCN(c3nccs3)CC2)c1O ZINC001140742408 796565482 /nfs/dbraw/zinc/56/54/82/796565482.db2.gz NGFZOIYGXBIUCF-UHFFFAOYSA-N 1 0 305.403 2.185 20 10 DECDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742751 796566107 /nfs/dbraw/zinc/56/61/07/796566107.db2.gz XPVRFFZCAMODKR-OAHLLOKOSA-N 1 0 320.433 2.487 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC001140747616 796567160 /nfs/dbraw/zinc/56/71/60/796567160.db2.gz GOAKCFAOAJBRDW-UHFFFAOYSA-N 1 0 318.417 2.383 20 10 DECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140747987 796567416 /nfs/dbraw/zinc/56/74/16/796567416.db2.gz QERRHNUDWFCQSZ-YUTCNCBUSA-N 1 0 305.374 2.180 20 10 DECDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140954444 796606174 /nfs/dbraw/zinc/60/61/74/796606174.db2.gz RRSMOAIKQZSYCK-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO Cc1ccc(C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC001140950021 796606572 /nfs/dbraw/zinc/60/65/72/796606572.db2.gz QYCJMZPOQUWXJB-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028280 796620354 /nfs/dbraw/zinc/62/03/54/796620354.db2.gz JFCMGNHNORHCSG-NEPJUHHUSA-N 1 0 323.389 2.183 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(OC)c1 ZINC001141031518 796621167 /nfs/dbraw/zinc/62/11/67/796621167.db2.gz HGUXVENYTSIDNK-MLGOLLRUSA-N 1 0 307.390 2.410 20 10 DECDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074639 796631604 /nfs/dbraw/zinc/63/16/04/796631604.db2.gz PEAUKGGURUPOFI-SJORKVTESA-N 1 0 304.409 2.290 20 10 DECDRO CN1CCOc2cc(CN3CC[NH+](C(C)(C)C)CC3)ccc21 ZINC001141144268 796638913 /nfs/dbraw/zinc/63/89/13/796638913.db2.gz XZRSAQKLWIJIMR-UHFFFAOYSA-N 1 0 303.450 2.431 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1C ZINC001141144018 796639068 /nfs/dbraw/zinc/63/90/68/796639068.db2.gz SREACOWILUAFSX-DZGCQCFKSA-N 1 0 318.417 2.289 20 10 DECDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141157023 796642209 /nfs/dbraw/zinc/64/22/09/796642209.db2.gz APURVIABWHRSIM-NHAGDIPZSA-N 1 0 320.389 2.053 20 10 DECDRO CCO[C@@H]1C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155081163 797676737 /nfs/dbraw/zinc/67/67/37/797676737.db2.gz DILKIJVOESHHPB-DOTOQJQBSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](OC)C2CC2)cc1C ZINC001157320281 798182211 /nfs/dbraw/zinc/18/22/11/798182211.db2.gz XYQZIMXTBBTWOI-KRWDZBQOSA-N 1 0 320.433 2.025 20 10 DECDRO Oc1ccc(Br)cc1CNc1ncnc2c1CNC2 ZINC001160013068 798639986 /nfs/dbraw/zinc/63/99/86/798639986.db2.gz YLDTXICSLNLLGF-UHFFFAOYSA-N 1 0 321.178 2.160 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c1O ZINC001203601718 800088537 /nfs/dbraw/zinc/08/85/37/800088537.db2.gz IEMKMMCUENYNFU-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(OC)cc1O)CC2 ZINC001203623842 800092411 /nfs/dbraw/zinc/09/24/11/800092411.db2.gz XFROTTZWSCUNAG-UHFFFAOYSA-N 1 0 313.401 2.354 20 10 DECDRO CC[C@H]1[N@H+](Cc2cc(OC)ccc2O)CCC[C@]12CCC(=O)N2 ZINC001203672792 800103071 /nfs/dbraw/zinc/10/30/71/800103071.db2.gz DQMVKKUNFMNILM-AEFFLSMTSA-N 1 0 318.417 2.424 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1 ZINC001203673151 800104174 /nfs/dbraw/zinc/10/41/74/800104174.db2.gz OZTZMJUJQJYJCT-QGZVFWFLSA-N 1 0 304.390 2.036 20 10 DECDRO O=C1[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]2CN1c1ccccc1 ZINC001203877883 800138234 /nfs/dbraw/zinc/13/82/34/800138234.db2.gz YLTDWDKYTAXANJ-HOCLYGCPSA-N 1 0 324.380 2.193 20 10 DECDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877306 800138833 /nfs/dbraw/zinc/13/88/33/800138833.db2.gz PKHVMADVGKHFRS-SJORKVTESA-N 1 0 307.390 2.115 20 10 DECDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203884078 800140582 /nfs/dbraw/zinc/14/05/82/800140582.db2.gz RFPHDQMEEPKUIK-ZDUSSCGKSA-N 1 0 316.357 2.155 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001203933783 800147932 /nfs/dbraw/zinc/14/79/32/800147932.db2.gz QMRYUIWWQFXISY-KDURUIRLSA-N 1 0 315.461 2.048 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1 ZINC001203942393 800149331 /nfs/dbraw/zinc/14/93/31/800149331.db2.gz OMFJFWGLDUXWSD-DOTOQJQBSA-N 1 0 301.434 2.101 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@@]1(O)C(F)(F)F ZINC001204277339 800199493 /nfs/dbraw/zinc/19/94/93/800199493.db2.gz ZXLRTZZGUNEWOG-RNCFNFMXSA-N 1 0 305.296 2.233 20 10 DECDRO CN(CC1C[NH+](Cc2ccc(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001204276965 800199669 /nfs/dbraw/zinc/19/96/69/800199669.db2.gz USORPJBWXFTQJR-UHFFFAOYSA-N 1 0 322.405 2.397 20 10 DECDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204281678 800200190 /nfs/dbraw/zinc/20/01/90/800200190.db2.gz GRSANLLOKVDFCV-HNNXBMFYSA-N 1 0 315.373 2.240 20 10 DECDRO [NH3+]CC1CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205047534 800290759 /nfs/dbraw/zinc/29/07/59/800290759.db2.gz YFBCCPFUEPFEKP-UHFFFAOYSA-N 1 0 317.202 2.465 20 10 DECDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001205197641 800313337 /nfs/dbraw/zinc/31/33/37/800313337.db2.gz XEWYFLCEMBEYSV-MLGOLLRUSA-N 1 0 309.841 2.098 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC001205615959 800386352 /nfs/dbraw/zinc/38/63/52/800386352.db2.gz ZHLQFKBMDPGZJR-UHFFFAOYSA-N 1 0 304.434 2.470 20 10 DECDRO COc1cc(Cl)cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206138299 800478181 /nfs/dbraw/zinc/47/81/81/800478181.db2.gz APJONFAYURFQJX-JTQLQIEISA-N 1 0 306.740 2.223 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCN(C)C3)C2)cc1 ZINC001206384128 800522320 /nfs/dbraw/zinc/52/23/20/800522320.db2.gz CDIWAQAWXJUFMZ-HOTGVXAUSA-N 1 0 303.450 2.205 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001231587192 801690839 /nfs/dbraw/zinc/69/08/39/801690839.db2.gz QVAKSSURISHGMY-MSOLQXFVSA-N 1 0 301.386 2.111 20 10 DECDRO COc1cc(C[N@H+](C)CCc2noc(C(C)C)n2)c(O)cc1O ZINC001231635197 801701008 /nfs/dbraw/zinc/70/10/08/801701008.db2.gz WONPKYUYXGWEKZ-UHFFFAOYSA-N 1 0 321.377 2.287 20 10 DECDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231639215 801702287 /nfs/dbraw/zinc/70/22/87/801702287.db2.gz FRAOEFFUPULHDO-GFCCVEGCSA-N 1 0 323.389 2.272 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)C3CCC3)CC2)c(O)c1 ZINC001231846975 801735084 /nfs/dbraw/zinc/73/50/84/801735084.db2.gz TZMIMJRGDGTXPH-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854020 801737495 /nfs/dbraw/zinc/73/74/95/801737495.db2.gz VXFGHKSOZCAYTL-HIFRSBDPSA-N 1 0 320.433 2.392 20 10 DECDRO [O-]c1c(Cl)cccc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001231913548 801750256 /nfs/dbraw/zinc/75/02/56/801750256.db2.gz MDUOJDOTRMYLAT-CQSZACIVSA-N 1 0 310.825 2.342 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198122 801815253 /nfs/dbraw/zinc/81/52/53/801815253.db2.gz IRDKYOTVZVQCDB-HNNXBMFYSA-N 1 0 324.852 2.381 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(C)(C(N)=O)CC2)cc1Cl ZINC001232269551 801834622 /nfs/dbraw/zinc/83/46/22/801834622.db2.gz DIPZUJSVRAWTRE-UHFFFAOYSA-N 1 0 312.797 2.142 20 10 DECDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Cl)c(OC)cc3O)C[C@H]2C1 ZINC001232271258 801835652 /nfs/dbraw/zinc/83/56/52/801835652.db2.gz TWJWYTIYBVSOIK-CHWSQXEVSA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c2ccccc2n1C ZINC001232402239 801870885 /nfs/dbraw/zinc/87/08/85/801870885.db2.gz JNRMTDRFKKTVSJ-WBMJQRKESA-N 1 0 316.401 2.168 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](CO)C2)c2ccccc2n1C ZINC001232401538 801871289 /nfs/dbraw/zinc/87/12/89/801871289.db2.gz MURXPFOLFKSCOG-CYBMUJFWSA-N 1 0 316.401 2.169 20 10 DECDRO CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1O ZINC001232840083 801969672 /nfs/dbraw/zinc/96/96/72/801969672.db2.gz MDXCKZLWWGEFOM-HNNXBMFYSA-N 1 0 306.406 2.376 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c(O)c1 ZINC001232838191 801969901 /nfs/dbraw/zinc/96/99/01/801969901.db2.gz HRNRMVLJPDVHGV-GOSISDBHSA-N 1 0 317.433 2.045 20 10 DECDRO CCOC(=O)CCC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233012030 802002900 /nfs/dbraw/zinc/00/29/00/802002900.db2.gz HSGXRAMPINJNPB-UHFFFAOYSA-N 1 0 323.389 2.359 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)cc1Br ZINC001233137266 802033544 /nfs/dbraw/zinc/03/35/44/802033544.db2.gz IHJJJXPMFPEZCH-ZDUSSCGKSA-N 1 0 316.195 2.120 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c1O ZINC001233290846 802064153 /nfs/dbraw/zinc/06/41/53/802064153.db2.gz ZKZWVDZTZFIQCK-CYBMUJFWSA-N 1 0 312.797 2.107 20 10 DECDRO O=C1CCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000405435685 802064765 /nfs/dbraw/zinc/06/47/65/802064765.db2.gz FDSGXCPTJJWVAB-UHFFFAOYSA-N 1 0 301.434 2.389 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c1O ZINC001233287998 802065323 /nfs/dbraw/zinc/06/53/23/802065323.db2.gz QUYZTIBSXFDZGL-VXGBXAGGSA-N 1 0 303.761 2.349 20 10 DECDRO C[C@H]1C(=O)N(C)CCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233454765 802121219 /nfs/dbraw/zinc/12/12/19/802121219.db2.gz JNEUIWKPYGERTJ-VIFPVBQESA-N 1 0 302.296 2.074 20 10 DECDRO O=C1c2cccc(O)c2C(=O)c2c(OC3CC[NH2+]CC3)cccc21 ZINC001217964118 802124471 /nfs/dbraw/zinc/12/44/71/802124471.db2.gz IILZEPMZYFQAMC-UHFFFAOYSA-N 1 0 323.348 2.298 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3C[NH2+]C[C@@H]3F)ccc21 ZINC001218016417 802133095 /nfs/dbraw/zinc/13/30/95/802133095.db2.gz FLTIIRHKLWXCIT-HOTGVXAUSA-N 1 0 311.312 2.151 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218036294 802135208 /nfs/dbraw/zinc/13/52/08/802135208.db2.gz WSNLLJZRIJALFM-MEBBXXQBSA-N 1 0 323.348 2.154 20 10 DECDRO COc1c(C)c(OC2C[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218053053 802137658 /nfs/dbraw/zinc/13/76/58/802137658.db2.gz RZRZUZDNLMYGHQ-UHFFFAOYSA-N 1 0 323.348 2.130 20 10 DECDRO COc1ccc2c(c1O[C@H]1C[NH2+][C@H]1C)C(=O)c1ccccc1C2=O ZINC001218387542 802176446 /nfs/dbraw/zinc/17/64/46/802176446.db2.gz QECDPNVZMYEUFY-BONVTDFDSA-N 1 0 323.348 2.210 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000407303483 802203068 /nfs/dbraw/zinc/20/30/68/802203068.db2.gz CXXCBNPCQVZAGF-DLBZAZTESA-N 1 0 301.434 2.242 20 10 DECDRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000315929833 802491921 /nfs/dbraw/zinc/49/19/21/802491921.db2.gz VLBWGTDRWRYYNX-AWEZNQCLSA-N 1 0 321.808 2.402 20 10 DECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)c1O ZINC001222692294 802729887 /nfs/dbraw/zinc/72/98/87/802729887.db2.gz ORQKYUJDAVDGQJ-KRWDZBQOSA-N 1 0 323.868 2.272 20 10 DECDRO c1ccc2c(c1)C[C@@H](COc1ccc(N3CC[NH2+]CC3)cc1)O2 ZINC000321571719 802892337 /nfs/dbraw/zinc/89/23/37/802892337.db2.gz UUVURRPYGFTZFH-SFHVURJKSA-N 1 0 310.397 2.479 20 10 DECDRO CC[N@H+](C)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC001227356013 803233635 /nfs/dbraw/zinc/23/36/35/803233635.db2.gz ODGKGVCCNAIGJE-QGZVFWFLSA-N 1 0 318.465 2.297 20 10 DECDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(O)c1O ZINC001335368328 1150400998 /nfs/dbraw/zinc/40/09/98/1150400998.db2.gz AZFGODWUWUCTIY-MELADBBJSA-N 1 0 318.417 2.209 20 10 DECDRO C[C@@H](NC(=O)N1CCC[C@]12CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001336082519 1150620085 /nfs/dbraw/zinc/62/00/85/1150620085.db2.gz KETZHIQTMDVKJR-RDTXWAMCSA-N 1 0 316.449 2.351 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@]12CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001336082514 1150620388 /nfs/dbraw/zinc/62/03/88/1150620388.db2.gz KETZHIQTMDVKJR-KBXCAEBGSA-N 1 0 316.449 2.351 20 10 DECDRO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343336059 1150735397 /nfs/dbraw/zinc/73/53/97/1150735397.db2.gz ZTIRIMMEQXQFAZ-GOSISDBHSA-N 1 0 315.465 2.485 20 10 DECDRO CCC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001331775303 1149670482 /nfs/dbraw/zinc/67/04/82/1149670482.db2.gz QXBSYLTXHUEGNG-OAHLLOKOSA-N 1 0 322.449 2.007 20 10 DECDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001455644945 1057746464 /nfs/dbraw/zinc/74/64/64/1057746464.db2.gz ZLQSQWWJHRRPHK-GFCCVEGCSA-N 1 0 317.393 2.263 20 10 DECDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001461177404 1058601326 /nfs/dbraw/zinc/60/13/26/1058601326.db2.gz LNELRVVHZKMVMK-AWEZNQCLSA-N 1 0 302.418 2.360 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1F ZINC001461257618 1058622492 /nfs/dbraw/zinc/62/24/92/1058622492.db2.gz ZOMPJFUBYHKGAE-KRWDZBQOSA-N 1 0 320.412 2.229 20 10 DECDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001329039314 1148859935 /nfs/dbraw/zinc/85/99/35/1148859935.db2.gz NBBPHQGCUPFLQG-UHFFFAOYSA-N 1 0 310.463 2.201 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1 ZINC001474030258 1060800517 /nfs/dbraw/zinc/80/05/17/1060800517.db2.gz YJTPPLMYGPAWQP-QGZVFWFLSA-N 1 0 302.422 2.090 20 10 DECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001621114453 1078169714 /nfs/dbraw/zinc/16/97/14/1078169714.db2.gz KLMRSUKYKNPDBB-AWEZNQCLSA-N 1 0 320.433 2.447 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001621114454 1078170257 /nfs/dbraw/zinc/17/02/57/1078170257.db2.gz KLMRSUKYKNPDBB-CQSZACIVSA-N 1 0 320.433 2.447 20 10 DECDRO COc1cc(C)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001621448408 1078174994 /nfs/dbraw/zinc/17/49/94/1078174994.db2.gz WMTFQJHYRKIDFL-OAHLLOKOSA-N 1 0 320.433 2.052 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)OC)cc1C ZINC001496019361 1065231319 /nfs/dbraw/zinc/23/13/19/1065231319.db2.gz ZDLFSFGURQGDSC-GJZGRUSLSA-N 1 0 322.449 2.365 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)nc2)cc1 ZINC001623315985 1078200536 /nfs/dbraw/zinc/20/05/36/1078200536.db2.gz LZDKHPTZMGKCCD-UHFFFAOYSA-N 1 0 312.417 2.139 20 10 DECDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(N)cc2)n1 ZINC001578065974 1066973593 /nfs/dbraw/zinc/97/35/93/1066973593.db2.gz UVEWPJQRJYJBRK-UHFFFAOYSA-N 1 0 305.403 2.234 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]CC2)cc1 ZINC001578425396 1067095687 /nfs/dbraw/zinc/09/56/87/1067095687.db2.gz BUDWRVFPEZLDBC-HNNXBMFYSA-N 1 0 318.465 2.332 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCC[NH3+] ZINC001578489701 1067118165 /nfs/dbraw/zinc/11/81/65/1067118165.db2.gz HAUAZBJZXGUBMQ-UHFFFAOYSA-N 1 0 304.438 2.167 20 10 DECDRO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC001580264271 1067547433 /nfs/dbraw/zinc/54/74/33/1067547433.db2.gz KRHBUFOANNAJDX-GEXIGZQTSA-N 1 0 309.369 2.280 20 10 DECDRO CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](CC)C[NH2+]1 ZINC001573717704 1069077406 /nfs/dbraw/zinc/07/74/06/1069077406.db2.gz HAPJPLOAAQVHHJ-JFDUVMPXSA-N 1 0 304.390 2.100 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(F)F)CC2)cc1C ZINC001483711615 1078842929 /nfs/dbraw/zinc/84/29/29/1078842929.db2.gz FNCOLOYBYOYCLL-UHFFFAOYSA-N 1 0 312.360 2.397 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001574035404 1069146776 /nfs/dbraw/zinc/14/67/76/1069146776.db2.gz QWNMCVHNCKVHMD-BBRMVZONSA-N 1 0 319.449 2.011 20 10 DECDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)Cc3ccccc3O)C[N@@H+]2C1 ZINC001521256179 1069225201 /nfs/dbraw/zinc/22/52/01/1069225201.db2.gz XKHWOWXQBXQHDY-BMFZPTHFSA-N 1 0 302.418 2.471 20 10 DECDRO CSCC[C@H]([NH3+])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001521589101 1069254026 /nfs/dbraw/zinc/25/40/26/1069254026.db2.gz XYOOOZRFHRYZBE-ZDUSSCGKSA-N 1 0 322.474 2.358 20 10 DECDRO Cc1cc(O)c(CN2CCC[C@@H]3[NH2+]C[C@@H]32)cc1Br ZINC001235303265 1079011569 /nfs/dbraw/zinc/01/15/69/1079011569.db2.gz KLPLICQRGIMRPQ-STQMWFEESA-N 1 0 311.223 2.399 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c1 ZINC001272638333 1079027912 /nfs/dbraw/zinc/02/79/12/1079027912.db2.gz RUQRVSLYHLOXNU-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)CCCCCO)[NH+](C)C)cc1 ZINC001648477928 1074999505 /nfs/dbraw/zinc/99/95/05/1074999505.db2.gz KDAITXUGHLXHJJ-QGZVFWFLSA-N 1 0 321.465 2.024 20 10 DECDRO COc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001559110108 1075113150 /nfs/dbraw/zinc/11/31/50/1075113150.db2.gz QEDSJPUOZRMZJE-LBPRGKRZSA-N 1 0 323.393 2.390 20 10 DECDRO O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001580708950 1075980065 /nfs/dbraw/zinc/98/00/65/1075980065.db2.gz ZOIDNERXAPDUKT-YUTCNCBUSA-N 1 0 304.390 2.025 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001584742469 1076318027 /nfs/dbraw/zinc/31/80/27/1076318027.db2.gz RERAMKQKRNQPED-HNNXBMFYSA-N 1 0 318.417 2.164 20 10 DECDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001586305479 1076395871 /nfs/dbraw/zinc/39/58/71/1076395871.db2.gz UIQCJIPVGDUEEE-UHFFFAOYSA-N 1 0 324.340 2.168 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)CC[S@@](C)=O)ccc1OC ZINC001620854641 1076481387 /nfs/dbraw/zinc/48/13/87/1076481387.db2.gz PMXMDXUSSNKTNM-LRTDBIEQSA-N 1 0 313.463 2.478 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001609778178 1077921514 /nfs/dbraw/zinc/92/15/14/1077921514.db2.gz NFDZELYLSOIITE-DGCLKSJQSA-N 1 0 304.390 2.416 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001652362097 1079872794 /nfs/dbraw/zinc/87/27/94/1079872794.db2.gz XOGRPVUHKIIMQW-PMUMKWKESA-N 1 0 321.417 2.478 20 10 DECDRO CC(C)c1ccc(O)c(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC001652946896 1079905894 /nfs/dbraw/zinc/90/58/94/1079905894.db2.gz OUSDLLUBRWQTLA-ROUUACIJSA-N 1 0 316.401 2.000 20 10 DECDRO Oc1cc(Cl)ccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001653012979 1079909817 /nfs/dbraw/zinc/90/98/17/1079909817.db2.gz SMUYRNHIELQLRE-CQSZACIVSA-N 1 0 311.809 2.409 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@]3(CCOC3=O)C2)cc1F ZINC001653270398 1079923260 /nfs/dbraw/zinc/92/32/60/1079923260.db2.gz XVPRIWKASVXKQE-INIZCTEOSA-N 1 0 310.344 2.170 20 10 DECDRO CC1(C)COCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001655516991 1080002182 /nfs/dbraw/zinc/00/21/82/1080002182.db2.gz CWFDNVUOLOWQIQ-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1F ZINC001657208344 1080164555 /nfs/dbraw/zinc/16/45/55/1080164555.db2.gz LBJHRNMJYYGBFM-MRXNPFEDSA-N 1 0 322.472 2.007 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)[C@@H](CO)SC)ccc1OC ZINC001657263687 1080166943 /nfs/dbraw/zinc/16/69/43/1080166943.db2.gz HOXISCWPHNHODD-MLGOLLRUSA-N 1 0 313.463 2.434 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1 ZINC001659536133 1080243586 /nfs/dbraw/zinc/24/35/86/1080243586.db2.gz BOBOODDQBIWUAY-OAHLLOKOSA-N 1 0 301.386 2.402 20 10 DECDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001660897996 1080414022 /nfs/dbraw/zinc/41/40/22/1080414022.db2.gz HQGSCRHNXLXPLC-AWEZNQCLSA-N 1 0 309.797 2.219 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CCO1 ZINC001237077803 1080441650 /nfs/dbraw/zinc/44/16/50/1080441650.db2.gz KIIBPZRINWWABP-SNVBAGLBSA-N 1 0 319.232 2.461 20 10 DECDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC001664979461 1080980228 /nfs/dbraw/zinc/98/02/28/1080980228.db2.gz WQHOJTGWKMHEEP-ZFWWWQNUSA-N 1 0 305.353 2.275 20 10 DECDRO COc1cc(CC[NH2+]Cc2cc(C)cc(OC)c2O)ccn1 ZINC001665411496 1081025058 /nfs/dbraw/zinc/02/50/58/1081025058.db2.gz DGDHUZUXNNSWGO-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO O=C(c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001270036712 1081434345 /nfs/dbraw/zinc/43/43/45/1081434345.db2.gz DYDDUPIUTLUYAN-GASCZTMLSA-N 1 0 316.401 2.329 20 10 DECDRO CC[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266705628 1082295561 /nfs/dbraw/zinc/29/55/61/1082295561.db2.gz OAIMIZYKIGCLJI-ZNMIVQPWSA-N 1 0 308.397 2.489 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001277422112 1083961222 /nfs/dbraw/zinc/96/12/22/1083961222.db2.gz FYSUPQUWDRTYMF-OKILXGFUSA-N 1 0 300.402 2.465 20 10 DECDRO COc1cccc(C[NH+]2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)c1O ZINC001277452679 1083978694 /nfs/dbraw/zinc/97/86/94/1083978694.db2.gz YERCPSDPRNBVDG-CYBMUJFWSA-N 1 0 318.417 2.137 20 10 DECDRO CC[C@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491000671 1084007391 /nfs/dbraw/zinc/00/73/91/1084007391.db2.gz ZQVCZTZOAIJADQ-XHSDSOJGSA-N 1 0 320.433 2.165 20 10 DECDRO Cc1cc(CN2CCN3CC[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001234973660 1084254588 /nfs/dbraw/zinc/25/45/88/1084254588.db2.gz IBTLAIYVLTVHNN-HXUWFJFHSA-N 1 0 324.472 2.184 20 10 DECDRO COCC1(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001491525309 1084369414 /nfs/dbraw/zinc/36/94/14/1084369414.db2.gz NYVTVONHUJYJSM-AWEZNQCLSA-N 1 0 320.433 2.025 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3)cc1 ZINC001235298167 1084376324 /nfs/dbraw/zinc/37/63/24/1084376324.db2.gz KLZVCKDDXAEZSS-HDICACEKSA-N 1 0 311.429 2.267 20 10 DECDRO Cc1cc(Br)cc(CN2CCC[C@@H]3[NH2+]C[C@H]32)c1O ZINC001235302735 1084380985 /nfs/dbraw/zinc/38/09/85/1084380985.db2.gz JDIQAZTVQDBIOO-QWHCGFSZSA-N 1 0 311.223 2.399 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3C[NH2+]C[C@@H](C2)O3)cc1 ZINC001235337187 1084396497 /nfs/dbraw/zinc/39/64/97/1084396497.db2.gz HBXSWZIOXGHYLZ-KDURUIRLSA-N 1 0 311.429 2.267 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235770492 1084523262 /nfs/dbraw/zinc/52/32/62/1084523262.db2.gz DUVDMVKGIHOEFF-UKRRQHHQSA-N 1 0 320.433 2.012 20 10 DECDRO COC(=O)c1c(CN2CC[NH2+]C(C)(C)C2)c2ccccc2n1C ZINC001235837819 1084544477 /nfs/dbraw/zinc/54/44/77/1084544477.db2.gz LTHHOIBFVYVAQH-UHFFFAOYSA-N 1 0 315.417 2.149 20 10 DECDRO COc1ccc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c(O)c1 ZINC001235847503 1084547513 /nfs/dbraw/zinc/54/75/13/1084547513.db2.gz JLKMLFHHRXQZSH-QGZVFWFLSA-N 1 0 312.413 2.417 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccc(OC(F)(F)F)c1O ZINC001236101455 1084611401 /nfs/dbraw/zinc/61/14/01/1084611401.db2.gz DCNXVTYQALSITC-NXEZZACHSA-N 1 0 304.312 2.473 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC000966006389 1085729689 /nfs/dbraw/zinc/72/96/89/1085729689.db2.gz RMUAACJOEXJDHF-MRXNPFEDSA-N 1 0 302.418 2.494 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC001626080150 1085987538 /nfs/dbraw/zinc/98/75/38/1085987538.db2.gz YAYIRZZDKCSWNG-JSGCOSHPSA-N 1 0 306.406 2.137 20 10 DECDRO C[N@H+]1C[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000707128670 1086660622 /nfs/dbraw/zinc/66/06/22/1086660622.db2.gz ZNWPDTYGIJWDAW-PHIMTYICSA-N 1 0 311.223 2.148 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Br)cc(F)c1[O-] ZINC001276155307 1091611674 /nfs/dbraw/zinc/61/16/74/1091611674.db2.gz FAZJFONDSXHYMF-PHIMTYICSA-N 1 0 315.186 2.182 20 10 DECDRO C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001276009079 1092501179 /nfs/dbraw/zinc/50/11/79/1092501179.db2.gz GOERRBVNZBYDII-SFHVURJKSA-N 1 0 318.417 2.398 20 10 DECDRO C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001276009527 1092503114 /nfs/dbraw/zinc/50/31/14/1092503114.db2.gz YDPSCMMYFBJZRU-UHFFFAOYSA-N 1 0 304.390 2.008 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)cc1OC ZINC001236749241 1138406238 /nfs/dbraw/zinc/40/62/38/1138406238.db2.gz FZJSCNGEWBBLMU-AWEZNQCLSA-N 1 0 321.417 2.394 20 10 DECDRO C[C@@H]1CN(Cc2cc(O)c(Br)cc2O)CC[C@@H]1O ZINC001236767668 1138419095 /nfs/dbraw/zinc/41/90/95/1138419095.db2.gz LERLXIHEWTWABX-KCJUWKMLSA-N 1 0 316.195 2.063 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236799668 1138431260 /nfs/dbraw/zinc/43/12/60/1138431260.db2.gz VACUPSKUMDPZCR-JTQLQIEISA-N 1 0 313.781 2.439 20 10 DECDRO CCOC(=O)CC[N@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236802693 1138431714 /nfs/dbraw/zinc/43/17/14/1138431714.db2.gz KELKVGHMBATBDS-UHFFFAOYSA-N 1 0 301.770 2.439 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236807409 1138435827 /nfs/dbraw/zinc/43/58/27/1138435827.db2.gz GWGFIAVDOREZIV-UHFFFAOYSA-N 1 0 307.390 2.484 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC001236812907 1138437459 /nfs/dbraw/zinc/43/74/59/1138437459.db2.gz HEJFQKOUJBRVIM-ZDUSSCGKSA-N 1 0 306.406 2.009 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)c1 ZINC001236816762 1138439041 /nfs/dbraw/zinc/43/90/41/1138439041.db2.gz WHPBXZDHBSYWTB-ZDUSSCGKSA-N 1 0 302.378 2.138 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@H]1F ZINC001236932505 1138460908 /nfs/dbraw/zinc/46/09/08/1138460908.db2.gz QCRNOHBLDHDMNG-DYVFJYSZSA-N 1 0 309.404 2.367 20 10 DECDRO CC[C@H]1COCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943054 1138461850 /nfs/dbraw/zinc/46/18/50/1138461850.db2.gz PIBRHCVRUZJEAP-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO Cc1cc(CN2C[C@H]([NH3+])C3(COC3)C2)c(C)n1-c1ccccc1 ZINC001237176805 1138515487 /nfs/dbraw/zinc/51/54/87/1138515487.db2.gz UHNIOHPXNIZGBN-SFHVURJKSA-N 1 0 311.429 2.254 20 10 DECDRO CCn1nnc2c1[C@H](COC)CN(Cc1c(C)cccc1O)C2 ZINC001237486417 1138654209 /nfs/dbraw/zinc/65/42/09/1138654209.db2.gz RTIVJHIECZTBLL-ZDUSSCGKSA-N 1 0 316.405 2.058 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c(OC)c1 ZINC001237675583 1138750659 /nfs/dbraw/zinc/75/06/59/1138750659.db2.gz YDBMBKKOUZKMSH-PXAZEXFGSA-N 1 0 309.406 2.392 20 10 DECDRO CNC(=O)CC[N@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237677793 1138752448 /nfs/dbraw/zinc/75/24/48/1138752448.db2.gz DRPYNXMUXRIKSL-UHFFFAOYSA-N 1 0 315.211 2.031 20 10 DECDRO Cc1cc(Cl)cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1O ZINC001237687379 1138759109 /nfs/dbraw/zinc/75/91/09/1138759109.db2.gz ZFYZAGACVXZEMU-CQSZACIVSA-N 1 0 310.825 2.259 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001238067387 1138819576 /nfs/dbraw/zinc/81/95/76/1138819576.db2.gz SWYCKTYMFCNVRN-AWEZNQCLSA-N 1 0 321.327 2.422 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001294936027 1139308495 /nfs/dbraw/zinc/30/84/95/1139308495.db2.gz CCXLJRHMUZPYHV-AVGNSLFASA-N 1 0 306.406 2.308 20 10 DECDRO c1ccc(N2CC=C(c3cncc(N4CC[NH2+]CC4)n3)CC2)cc1 ZINC001241347026 1139796317 /nfs/dbraw/zinc/79/63/17/1139796317.db2.gz KTVVENNFHXKKBP-UHFFFAOYSA-N 1 0 321.428 2.180 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCN2CCC(CO)CC2)c2c1c(F)ccc2O ZINC001320244094 1140840886 /nfs/dbraw/zinc/84/08/86/1140840886.db2.gz AIBCXBFTGXBIAW-SWLSCSKDSA-N 1 0 322.424 2.374 20 10 DECDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001320952238 1141004236 /nfs/dbraw/zinc/00/42/36/1141004236.db2.gz JTMPAMZOYXQTSQ-LVQRLBQTSA-N 1 0 302.418 2.422 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c(C)c1 ZINC001246936640 1141147710 /nfs/dbraw/zinc/14/77/10/1141147710.db2.gz WYJGKNRVTJHMIP-HZPDHXFCSA-N 1 0 303.450 2.266 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001321551158 1141306392 /nfs/dbraw/zinc/30/63/92/1141306392.db2.gz OEZGQGYXAVNKCK-SJORKVTESA-N 1 0 304.434 2.021 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3O)n2)cc1 ZINC001247714493 1141452420 /nfs/dbraw/zinc/45/24/20/1141452420.db2.gz HIFZJQXTMLHGGX-HZPDHXFCSA-N 1 0 324.384 2.192 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001249178802 1141857354 /nfs/dbraw/zinc/85/73/54/1141857354.db2.gz VXUMLBHJOFMMQZ-RHSMWYFYSA-N 1 0 319.401 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001249207289 1141859632 /nfs/dbraw/zinc/85/96/32/1141859632.db2.gz ANJNSAOEXCKTIQ-SFHVURJKSA-N 1 0 319.401 2.110 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)c(O)c1 ZINC001249215043 1141860214 /nfs/dbraw/zinc/86/02/14/1141860214.db2.gz VHQPHSUQWIHDMY-HNNXBMFYSA-N 1 0 305.374 2.051 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@](F)(CO)C3)ccc2O1 ZINC001249224190 1141862397 /nfs/dbraw/zinc/86/23/97/1141862397.db2.gz UHKQRYFDVJCQNY-QGZVFWFLSA-N 1 0 307.365 2.483 20 10 DECDRO CC[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001323936396 1141908702 /nfs/dbraw/zinc/90/87/02/1141908702.db2.gz RVTRXRVYATVCED-OAHLLOKOSA-N 1 0 309.429 2.092 20 10 DECDRO Oc1cccc2c1C[N@H+](C[C@H](O)COc1ccc(F)cc1)CC2 ZINC001251931054 1142549695 /nfs/dbraw/zinc/54/96/95/1142549695.db2.gz UFFHBJZCHPFUFL-HNNXBMFYSA-N 1 0 317.360 2.329 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC001336878681 1142612241 /nfs/dbraw/zinc/61/22/41/1142612241.db2.gz DNMPBWXBFJXCCE-WFASDCNBSA-N 1 0 304.438 2.111 20 10 DECDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COCc2ccco2)c(O)c1 ZINC001252657617 1142804035 /nfs/dbraw/zinc/80/40/35/1142804035.db2.gz CGTWZIFCBVWZOU-AWEZNQCLSA-N 1 0 305.374 2.269 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1O ZINC001254004500 1143022693 /nfs/dbraw/zinc/02/26/93/1143022693.db2.gz KYNSJHRRZOGBFT-AWEZNQCLSA-N 1 0 318.417 2.282 20 10 DECDRO O=C1C[C@H]2CC([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001254916134 1143357945 /nfs/dbraw/zinc/35/79/45/1143357945.db2.gz WEGHHCBMYSSGBY-HZPDHXFCSA-N 1 0 314.429 2.371 20 10 DECDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc(N)cc1)c1cccnc1 ZINC001341018616 1143524421 /nfs/dbraw/zinc/52/44/21/1143524421.db2.gz IRAPKCSVMVZOAY-KRWDZBQOSA-N 1 0 312.417 2.016 20 10 DECDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341802168 1143712140 /nfs/dbraw/zinc/71/21/40/1143712140.db2.gz JAUKECSDNCFZJL-OAHLLOKOSA-N 1 0 309.429 2.092 20 10 DECDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255588750 1143770757 /nfs/dbraw/zinc/77/07/57/1143770757.db2.gz OQUSNJGODMEZDD-ZDUSSCGKSA-N 1 0 322.405 2.239 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1F ZINC001261788392 1144276421 /nfs/dbraw/zinc/27/64/21/1144276421.db2.gz VBLSXOZJLKUFNC-GFCCVEGCSA-N 1 0 312.282 2.434 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC001262563533 1144318971 /nfs/dbraw/zinc/31/89/71/1144318971.db2.gz HUBZGCNNAYVMAG-MRXNPFEDSA-N 1 0 318.465 2.413 20 10 DECDRO CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001282242721 1145021219 /nfs/dbraw/zinc/02/12/19/1145021219.db2.gz SQSBNVFGVWMWMW-MNOVXSKESA-N 1 0 305.382 2.355 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1F ZINC001308269589 1147462097 /nfs/dbraw/zinc/46/20/97/1147462097.db2.gz NXEPHCDVRDHDIF-LBPRGKRZSA-N 1 0 316.442 2.195 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnn3ccccc23)c(O)c1OC ZINC001308758719 1147484848 /nfs/dbraw/zinc/48/48/48/1147484848.db2.gz VDLCGFDWZSTGIS-UHFFFAOYSA-N 1 0 313.357 2.347 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC001308772359 1147486622 /nfs/dbraw/zinc/48/66/22/1147486622.db2.gz UGZFMRXJXPYQSU-QGZVFWFLSA-N 1 0 306.450 2.452 20 10 DECDRO COCC[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)C(C)(C)C1 ZINC001308846176 1147487748 /nfs/dbraw/zinc/48/77/48/1147487748.db2.gz OKDAQPBFDUJDBS-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001318398088 1147821272 /nfs/dbraw/zinc/82/12/72/1147821272.db2.gz PQRHNGCIJHTTQQ-IAGOWNOFSA-N 1 0 318.465 2.425 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001325288861 1147890157 /nfs/dbraw/zinc/89/01/57/1147890157.db2.gz KTISTNAUQKCDDF-INIZCTEOSA-N 1 0 313.449 2.163 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCC(F)(F)F ZINC001326624167 1148167117 /nfs/dbraw/zinc/16/71/17/1148167117.db2.gz YMQWRFLPZLYJRT-PSASIEDQSA-N 1 0 302.296 2.036 20 10 DECDRO CN(CCC[N@H+](C)Cc1cccc(Cl)c1[O-])CC[NH+](C)C ZINC000290009622 282092280 /nfs/dbraw/zinc/09/22/80/282092280.db2.gz DMTYGYZSEINMAD-UHFFFAOYSA-N 1 0 313.873 2.361 20 10 DECDRO CCN(CC)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096970990 185394866 /nfs/dbraw/zinc/39/48/66/185394866.db2.gz KRFCKXBEYFTOGK-MRXNPFEDSA-N 1 0 320.433 2.242 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092733712 185337240 /nfs/dbraw/zinc/33/72/40/185337240.db2.gz VBMCHXYFKAQRGO-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373931418 530003335 /nfs/dbraw/zinc/00/33/35/530003335.db2.gz BOEOJERFFDGURA-GJZGRUSLSA-N 1 0 303.406 2.160 20 10 DECDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000264791405 530070336 /nfs/dbraw/zinc/07/03/36/530070336.db2.gz XFULVDKARHPDEK-IBGZPJMESA-N 1 0 316.493 2.012 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160543459 299275904 /nfs/dbraw/zinc/27/59/04/299275904.db2.gz AORQJJLXNZNEJF-JTQLQIEISA-N 1 0 303.328 2.082 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)cc1 ZINC000093361290 193237818 /nfs/dbraw/zinc/23/78/18/193237818.db2.gz BQERXDUBUJGGTQ-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@H+](C)C1CC1 ZINC000105269167 194091374 /nfs/dbraw/zinc/09/13/74/194091374.db2.gz XSDZUMIOCNIPNU-CQSZACIVSA-N 1 0 318.465 2.377 20 10 DECDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000274627208 130250219 /nfs/dbraw/zinc/25/02/19/130250219.db2.gz HETHPPBYOXGHMP-INIZCTEOSA-N 1 0 324.465 2.473 20 10 DECDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000274814579 130264436 /nfs/dbraw/zinc/26/44/36/130264436.db2.gz WCCKFMCIXYXEQK-CYBMUJFWSA-N 1 0 310.413 2.474 20 10 DECDRO CCCOc1ccc(C[N@H+](CCO)C2CCOCC2)c(O)c1 ZINC000275800548 130388638 /nfs/dbraw/zinc/38/86/38/130388638.db2.gz CMSMYJHGNJHRIB-UHFFFAOYSA-N 1 0 309.406 2.154 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181584 131056932 /nfs/dbraw/zinc/05/69/32/131056932.db2.gz RGYJYSZPPWVRBV-UONOGXRCSA-N 1 0 310.463 2.228 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284973540 131127313 /nfs/dbraw/zinc/12/73/13/131127313.db2.gz BGLOMUCCJWTZLW-RDJZCZTQSA-N 1 0 304.434 2.304 20 10 DECDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289593540 131399523 /nfs/dbraw/zinc/39/95/23/131399523.db2.gz BDIQGNVRSROUHE-DLBZAZTESA-N 1 0 303.450 2.345 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092218112 402003098 /nfs/dbraw/zinc/00/30/98/402003098.db2.gz AXNKMPYTMDRILW-OAHLLOKOSA-N 1 0 310.825 2.342 20 10 DECDRO CN(C)C(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000155186956 402248075 /nfs/dbraw/zinc/24/80/75/402248075.db2.gz PPPYGNKCPKIYHA-UHFFFAOYSA-N 1 0 314.433 2.415 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000237214255 402399855 /nfs/dbraw/zinc/39/98/55/402399855.db2.gz WQTRLWSVLDUDDX-LLVKDONJSA-N 1 0 318.339 2.375 20 10 DECDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000165013780 402472067 /nfs/dbraw/zinc/47/20/67/402472067.db2.gz SOPXHWWIDKUUAX-HUUCEWRRSA-N 1 0 303.450 2.296 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699967 402480443 /nfs/dbraw/zinc/48/04/43/402480443.db2.gz CWHLQFMQHFXNSS-GJZGRUSLSA-N 1 0 322.449 2.068 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CCSC)cc1 ZINC000178711466 402529137 /nfs/dbraw/zinc/52/91/37/402529137.db2.gz BAQFENDSJALJRM-HNNXBMFYSA-N 1 0 309.479 2.229 20 10 DECDRO COc1ccc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000179238289 402582803 /nfs/dbraw/zinc/58/28/03/402582803.db2.gz ZSAXGQCZRASVKV-MRXNPFEDSA-N 1 0 303.450 2.302 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000292873651 286248767 /nfs/dbraw/zinc/24/87/67/286248767.db2.gz UALYNIDSAUOIFU-PHIMTYICSA-N 1 0 309.366 2.141 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000263688900 402791518 /nfs/dbraw/zinc/79/15/18/402791518.db2.gz OIPQPEZIJXTZAP-CQSZACIVSA-N 1 0 319.376 2.481 20 10 DECDRO C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271854482 402884655 /nfs/dbraw/zinc/88/46/55/402884655.db2.gz UKQIOHOQRDZHGJ-UHFFFAOYSA-N 1 0 311.769 2.305 20 10 DECDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C)cc1O ZINC000280115268 402967373 /nfs/dbraw/zinc/96/73/73/402967373.db2.gz NUYSXOWJFBALRS-CQSZACIVSA-N 1 0 314.451 2.069 20 10 DECDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000281522111 403070719 /nfs/dbraw/zinc/07/07/19/403070719.db2.gz HUSMPMGGXNSCGQ-ONGXEEELSA-N 1 0 318.211 2.203 20 10 DECDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000274918691 403096723 /nfs/dbraw/zinc/09/67/23/403096723.db2.gz WUKYNNVLESDWAH-AWEZNQCLSA-N 1 0 312.369 2.102 20 10 DECDRO COCCCn1nccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282746029 403159442 /nfs/dbraw/zinc/15/94/42/403159442.db2.gz URAMAZNLFBZWGP-UHFFFAOYSA-N 1 0 302.422 2.275 20 10 DECDRO CCCC[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1O ZINC000282363403 403146541 /nfs/dbraw/zinc/14/65/41/403146541.db2.gz DLXKGCUTHVLCNH-UHFFFAOYSA-N 1 0 304.390 2.143 20 10 DECDRO CCCC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O ZINC000282479760 403155669 /nfs/dbraw/zinc/15/56/69/403155669.db2.gz OSRMCMBPJJKJNU-MRXNPFEDSA-N 1 0 320.433 2.290 20 10 DECDRO COc1ccc(N2CC[NH+](CCCn3ccnc3C)CC2)cc1 ZINC000270666736 403210795 /nfs/dbraw/zinc/21/07/95/403210795.db2.gz RJVFVOYBQYWWRM-UHFFFAOYSA-N 1 0 314.433 2.412 20 10 DECDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000276766101 403193400 /nfs/dbraw/zinc/19/34/00/403193400.db2.gz NTAAIAVTRBNOCO-LJQANCHMSA-N 1 0 314.429 2.156 20 10 DECDRO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000292270992 403340691 /nfs/dbraw/zinc/34/06/91/403340691.db2.gz SFWURZRNXRSEEQ-RDTXWAMCSA-N 1 0 311.429 2.500 20 10 DECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292582882 403370613 /nfs/dbraw/zinc/37/06/13/403370613.db2.gz GRZUQVZHWWAMKA-XOVSCCBYSA-N 1 0 306.406 2.348 20 10 DECDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000291203089 404378018 /nfs/dbraw/zinc/37/80/18/404378018.db2.gz NGUZDHVZAAAHQX-CYBMUJFWSA-N 1 0 324.444 2.420 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC000359867905 404807301 /nfs/dbraw/zinc/80/73/01/404807301.db2.gz HDAYVZBWFMBKMC-UHFFFAOYSA-N 1 0 305.374 2.320 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000359961433 404810849 /nfs/dbraw/zinc/81/08/49/404810849.db2.gz SEXNZTWFUYURQT-LBPRGKRZSA-N 1 0 307.781 2.424 20 10 DECDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000527762294 406743113 /nfs/dbraw/zinc/74/31/13/406743113.db2.gz IBVLECFPIYGJNY-UHFFFAOYSA-N 1 0 313.401 2.296 20 10 DECDRO C[NH2+]CCN(C(=O)NCCCSc1nccs1)C(C)C ZINC001120609665 782018075 /nfs/dbraw/zinc/01/80/75/782018075.db2.gz HJDGFONDLSDIGT-UHFFFAOYSA-N 1 0 316.496 2.265 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000180996279 224900554 /nfs/dbraw/zinc/90/05/54/224900554.db2.gz KUTVEBJLMKXXOD-PMGBHYCQSA-N 1 0 316.401 2.198 20 10 DECDRO COCCCOC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000266043542 225334997 /nfs/dbraw/zinc/33/49/97/225334997.db2.gz BKMCXRLZFNEAEJ-UHFFFAOYSA-N 1 0 323.389 2.138 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC000296574291 226010132 /nfs/dbraw/zinc/01/01/32/226010132.db2.gz QQSOTAFLEZPTTP-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418105561 229223093 /nfs/dbraw/zinc/22/30/93/229223093.db2.gz ZWNHBELQFAEEHN-QWHCGFSZSA-N 1 0 314.433 2.379 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000834898947 649858786 /nfs/dbraw/zinc/85/87/86/649858786.db2.gz CPCQZACWSUFINT-DTWKUNHWSA-N 1 0 315.211 2.330 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000834914292 649859692 /nfs/dbraw/zinc/85/96/92/649859692.db2.gz LSWOYNNMFGYWBQ-ZOWXZIJZSA-N 1 0 304.390 2.205 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c1 ZINC001348560007 1151169632 /nfs/dbraw/zinc/16/96/32/1151169632.db2.gz IXQZHYKLGKYPBL-LLVKDONJSA-N 1 0 315.373 2.120 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc21 ZINC000653144364 425417042 /nfs/dbraw/zinc/41/70/42/425417042.db2.gz QIJFEEYPGNHYKK-CHWSQXEVSA-N 1 0 317.433 2.370 20 10 DECDRO C[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1ccc(N(C)C)cc1 ZINC000302439711 274264392 /nfs/dbraw/zinc/26/43/92/274264392.db2.gz REKHTYBNODHKSJ-GFCCVEGCSA-N 1 0 323.404 2.484 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000186605607 278362714 /nfs/dbraw/zinc/36/27/14/278362714.db2.gz YPFXRFNXLQZLCT-UONOGXRCSA-N 1 0 309.429 2.208 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375918 295167419 /nfs/dbraw/zinc/16/74/19/295167419.db2.gz WZSJOYQJPVCBEL-BFHYXJOUSA-N 1 0 308.422 2.161 20 10 DECDRO CC(=O)N1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835024964 649867986 /nfs/dbraw/zinc/86/79/86/649867986.db2.gz FANIUYQBNHPHQJ-GQCTYLIASA-N 1 0 301.434 2.320 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCOCC(F)F)CC2)cc1 ZINC000188848281 534003859 /nfs/dbraw/zinc/00/38/59/534003859.db2.gz JLZMGRVDCGRGJD-UHFFFAOYSA-N 1 0 314.376 2.489 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000182540115 519789318 /nfs/dbraw/zinc/78/93/18/519789318.db2.gz LFNJEBAMRPRJSR-INIZCTEOSA-N 1 0 306.406 2.225 20 10 DECDRO Oc1cc2c(cc1CN1CC[C@@H]([NH+]3CCCCC3)C1)OCO2 ZINC000264660894 534449626 /nfs/dbraw/zinc/44/96/26/534449626.db2.gz YQWPMJUETJJDFS-CQSZACIVSA-N 1 0 304.390 2.181 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000364220757 520902910 /nfs/dbraw/zinc/90/29/10/520902910.db2.gz YTJXVSHZXCYTHM-SJLPKXTDSA-N 1 0 301.434 2.149 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000128072756 521881999 /nfs/dbraw/zinc/88/19/99/521881999.db2.gz SCXQXLZSJPKQAO-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1F ZINC000237120866 522200325 /nfs/dbraw/zinc/20/03/25/522200325.db2.gz AYQALMLXHGNAHM-BPUTZDHNSA-N 1 0 319.424 2.429 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268868208 522614412 /nfs/dbraw/zinc/61/44/12/522614412.db2.gz GTZBTJBPIGASMG-DLBZAZTESA-N 1 0 302.422 2.260 20 10 DECDRO C[NH+]1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000156341558 523751543 /nfs/dbraw/zinc/75/15/43/523751543.db2.gz XKSHOZVDNDTPRN-UHFFFAOYSA-N 1 0 302.418 2.229 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000182041760 524742972 /nfs/dbraw/zinc/74/29/72/524742972.db2.gz ZHDPDYOXHMPSTF-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000157549950 524893748 /nfs/dbraw/zinc/89/37/48/524893748.db2.gz ZXCPKFMKZSKMBH-FQUUOJAGSA-N 1 0 320.433 2.406 20 10 DECDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000189852447 525771613 /nfs/dbraw/zinc/77/16/13/525771613.db2.gz NZQXUKZRVBLYME-KRWDZBQOSA-N 1 0 317.477 2.175 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000124113971 525774406 /nfs/dbraw/zinc/77/44/06/525774406.db2.gz MRVRTQVVYQQCQS-OAHLLOKOSA-N 1 0 307.371 2.180 20 10 DECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000188486513 527782006 /nfs/dbraw/zinc/78/20/06/527782006.db2.gz MIKAPQHQWGBIDU-VIFPVBQESA-N 1 0 300.786 2.011 20 10 DECDRO CCOCCOCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000190291737 528800588 /nfs/dbraw/zinc/80/05/88/528800588.db2.gz PKAGVZYMPGNHAW-UHFFFAOYSA-N 1 0 313.369 2.219 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000277496826 535686691 /nfs/dbraw/zinc/68/66/91/535686691.db2.gz ONGGGPGVMNORPV-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccccc2O)cc1O ZINC000289381304 536508403 /nfs/dbraw/zinc/50/84/03/536508403.db2.gz CLOKKAQQEDJHHU-CQSZACIVSA-N 1 0 317.385 2.047 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000835043242 649870793 /nfs/dbraw/zinc/87/07/93/649870793.db2.gz OEWDNDHPUKYTOT-PLNGDYQASA-N 1 0 322.474 2.180 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000835046918 649871543 /nfs/dbraw/zinc/87/15/43/649871543.db2.gz NEQVCDDBZLKIOL-WHLIDYPQSA-N 1 0 302.418 2.257 20 10 DECDRO CNC(=O)[C@]1(C)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053131 649872293 /nfs/dbraw/zinc/87/22/93/649872293.db2.gz STEXDGUQPKGGKF-DUMMIQTOSA-N 1 0 301.434 2.224 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000835055570 649872678 /nfs/dbraw/zinc/87/26/78/649872678.db2.gz WPCRBOWWRLRREA-HNSSHINMSA-N 1 0 317.477 2.202 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)C2=COCCC2)[NH+](C)C)cc1 ZINC000891251043 623797122 /nfs/dbraw/zinc/79/71/22/623797122.db2.gz CJCQLNIZULKKTE-QGZVFWFLSA-N 1 0 317.433 2.166 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)C(C)(C)C)[NH+](C)C)cc1 ZINC000891251546 623797130 /nfs/dbraw/zinc/79/71/30/623797130.db2.gz GNEVLZNPOQAHLR-OAHLLOKOSA-N 1 0 319.449 2.087 20 10 DECDRO CCCCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252691 623798666 /nfs/dbraw/zinc/79/86/66/623798666.db2.gz MKXUPNRPHXBCSH-QGZVFWFLSA-N 1 0 321.465 2.288 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000891255695 623804619 /nfs/dbraw/zinc/80/46/19/623804619.db2.gz RFOOQXBEAWXBCG-ZDUSSCGKSA-N 1 0 317.355 2.424 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccncc2)[NH+](C)C)cc1 ZINC000891258697 623808607 /nfs/dbraw/zinc/80/86/07/623808607.db2.gz ZPDULRBOVYKQTQ-KRWDZBQOSA-N 1 0 312.417 2.180 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891563309 624479673 /nfs/dbraw/zinc/47/96/73/624479673.db2.gz CTLBZNKQDVRCSM-DLBZAZTESA-N 1 0 316.449 2.097 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891563391 624479877 /nfs/dbraw/zinc/47/98/77/624479877.db2.gz FKMLVZWDPQYGAI-FUHWJXTLSA-N 1 0 316.449 2.145 20 10 DECDRO C[C@H](NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000891813000 624612911 /nfs/dbraw/zinc/61/29/11/624612911.db2.gz IQEXEPVBSTYUEY-FDQGKXFDSA-N 1 0 316.449 2.397 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000176220446 624698626 /nfs/dbraw/zinc/69/86/26/624698626.db2.gz NYPZGVXQTBKMLJ-UONOGXRCSA-N 1 0 321.421 2.073 20 10 DECDRO CN(C(=O)NCCc1ccc(N)cc1)C1(C[NH3+])CCCCC1 ZINC000892039798 624755999 /nfs/dbraw/zinc/75/59/99/624755999.db2.gz ZGJWMWYHFZDDMP-UHFFFAOYSA-N 1 0 304.438 2.114 20 10 DECDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925502472 625100979 /nfs/dbraw/zinc/10/09/79/625100979.db2.gz LJKJCAHAXQLMMG-QGZVFWFLSA-N 1 0 321.440 2.017 20 10 DECDRO O=C(NCc1cccc2c1CC[NH2+]C2)N1Cc2cccc(O)c2C1 ZINC000892323425 625102077 /nfs/dbraw/zinc/10/20/77/625102077.db2.gz GLLALGRBAYQIRK-UHFFFAOYSA-N 1 0 323.396 2.263 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C(C)=O)C[C@@H]23)cc1C ZINC001026158675 625160398 /nfs/dbraw/zinc/16/03/98/625160398.db2.gz YMUBOSFHYPZAQR-BRWVUGGUSA-N 1 0 302.418 2.350 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000180632654 625192307 /nfs/dbraw/zinc/19/23/07/625192307.db2.gz HHFHGAYVUGBOTI-SOFGYWHQSA-N 1 0 316.401 2.198 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC2CCC3(CC2)OCCO3)c1 ZINC000194998306 625762653 /nfs/dbraw/zinc/76/26/53/625762653.db2.gz HXXGDTQKWMKENG-UHFFFAOYSA-N 1 0 307.390 2.424 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001019960236 625864350 /nfs/dbraw/zinc/86/43/50/625864350.db2.gz QXPLPXGVRCYUEU-RAEVTNRLSA-N 1 0 302.418 2.396 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](C)N1CCOCC1 ZINC000921697769 634781087 /nfs/dbraw/zinc/78/10/87/634781087.db2.gz ICZDGQMVAOFTDS-GJZGRUSLSA-N 1 0 304.434 2.210 20 10 DECDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000312877302 633229388 /nfs/dbraw/zinc/22/93/88/633229388.db2.gz LAQCQXZOOVXFHQ-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000840941020 634963015 /nfs/dbraw/zinc/96/30/15/634963015.db2.gz NBYVDFCDONXPTQ-YJBOKZPZSA-N 1 0 304.434 2.441 20 10 DECDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921769194 635170348 /nfs/dbraw/zinc/17/03/48/635170348.db2.gz BGOCHOJHUWKLHY-HZPDHXFCSA-N 1 0 323.458 2.457 20 10 DECDRO CN(C)C(=O)[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840957969 635730382 /nfs/dbraw/zinc/73/03/82/635730382.db2.gz NNIGUWCLIQZRHL-SQRWCISFSA-N 1 0 301.434 2.176 20 10 DECDRO C[C@H](NC(=O)NCC1([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000922055272 635830755 /nfs/dbraw/zinc/83/07/55/635830755.db2.gz OPAKPANIMRRRMK-ZDUSSCGKSA-N 1 0 304.438 2.207 20 10 DECDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000893702272 635923730 /nfs/dbraw/zinc/92/37/30/635923730.db2.gz BDFUUPHURHSFOD-LLVKDONJSA-N 1 0 323.311 2.155 20 10 DECDRO O=c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc2ccccn12 ZINC000922219128 636009355 /nfs/dbraw/zinc/00/93/55/636009355.db2.gz ICQAAVNSRWVHHX-UHFFFAOYSA-N 1 0 321.380 2.309 20 10 DECDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2[O-])CN1 ZINC000894095818 636111480 /nfs/dbraw/zinc/11/14/80/636111480.db2.gz SNWYWWLEGZNEKK-IINYFYTJSA-N 1 0 310.344 2.161 20 10 DECDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924864337 636128126 /nfs/dbraw/zinc/12/81/26/636128126.db2.gz AAIBUPGMVZLOIR-XJKSGUPXSA-N 1 0 301.434 2.216 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)OCO2 ZINC000922464568 636188290 /nfs/dbraw/zinc/18/82/90/636188290.db2.gz VWPRBKLIJCLWIN-NOZJJQNGSA-N 1 0 319.279 2.320 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cnn(C)c2C)c(O)c1OC ZINC000894125165 636251428 /nfs/dbraw/zinc/25/14/28/636251428.db2.gz QUDSBKVQOPPXKJ-UHFFFAOYSA-N 1 0 305.378 2.083 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1O ZINC000922612123 636281549 /nfs/dbraw/zinc/28/15/49/636281549.db2.gz WRPACCMHXMMTGJ-QGZVFWFLSA-N 1 0 309.406 2.465 20 10 DECDRO CCO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C[NH+](C)C ZINC000922755604 636377592 /nfs/dbraw/zinc/37/75/92/636377592.db2.gz FWRUXLBWLAUOHX-ZDUSSCGKSA-N 1 0 315.408 2.087 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3(C[NH3+])CCCC3)ccc21 ZINC000237127973 636636977 /nfs/dbraw/zinc/63/69/77/636636977.db2.gz PIOFOHOSUUNWEH-UHFFFAOYSA-N 1 0 301.434 2.204 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCOC2CCOCC2)cc1F ZINC000922927974 636863929 /nfs/dbraw/zinc/86/39/29/636863929.db2.gz CMSSWYOJYGYGFM-UHFFFAOYSA-N 1 0 314.376 2.316 20 10 DECDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922948736 636879007 /nfs/dbraw/zinc/87/90/07/636879007.db2.gz UMSKNBNBFPMABP-UHFFFAOYSA-N 1 0 301.346 2.022 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c(O)c1 ZINC000922950757 636880228 /nfs/dbraw/zinc/88/02/28/636880228.db2.gz PIHSUFVBXUHWMS-MRXNPFEDSA-N 1 0 320.433 2.134 20 10 DECDRO C[N@H+](CCNC(=O)Cc1ccc(N)cc1)Cc1ccc(F)cc1 ZINC000237143356 636991183 /nfs/dbraw/zinc/99/11/83/636991183.db2.gz LMVQLIJCLMUQTF-UHFFFAOYSA-N 1 0 315.392 2.199 20 10 DECDRO COc1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c(O)c1OC ZINC000894551981 637103279 /nfs/dbraw/zinc/10/32/79/637103279.db2.gz HBPIDAFFRXHIGN-MRXNPFEDSA-N 1 0 309.406 2.296 20 10 DECDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894753390 637195502 /nfs/dbraw/zinc/19/55/02/637195502.db2.gz IPHCTGGVFWTQGM-ZDUSSCGKSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000894863820 637271883 /nfs/dbraw/zinc/27/18/83/637271883.db2.gz VRCHXAHWIIXVFZ-OAHLLOKOSA-N 1 0 314.385 2.416 20 10 DECDRO CC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)OC ZINC000895127967 637624834 /nfs/dbraw/zinc/62/48/34/637624834.db2.gz OBFNKJWXJJTBRM-SECBINFHSA-N 1 0 301.770 2.343 20 10 DECDRO COCC[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145112 637788848 /nfs/dbraw/zinc/78/88/48/637788848.db2.gz LBVAGYVGBRDAPG-GFCCVEGCSA-N 1 0 314.376 2.316 20 10 DECDRO C[C@@H](CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+](C)C ZINC000895299800 637902267 /nfs/dbraw/zinc/90/22/67/637902267.db2.gz ODGBSVNDQRBCEJ-VIFPVBQESA-N 1 0 301.774 2.384 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000840908675 650376612 /nfs/dbraw/zinc/37/66/12/650376612.db2.gz YHDWOGWFLNQJKN-UHFFFAOYSA-N 1 0 317.838 2.268 20 10 DECDRO COC(=O)c1c(C[N@H+](C)C2(CO)CC2)c2cc(F)ccc2n1C ZINC000895352800 637959708 /nfs/dbraw/zinc/95/97/08/637959708.db2.gz BTFOQWRBUPSIHI-UHFFFAOYSA-N 1 0 320.364 2.061 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCNC(=O)CC2(C)C)cc1 ZINC000895399742 638003228 /nfs/dbraw/zinc/00/32/28/638003228.db2.gz IXERFNXGVIBUBW-AATRIKPKSA-N 1 0 301.434 2.366 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000840953330 650394022 /nfs/dbraw/zinc/39/40/22/650394022.db2.gz QCZLKOMKADUFER-IAGOWNOFSA-N 1 0 301.434 2.304 20 10 DECDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(O)c1OC ZINC000895634438 638116127 /nfs/dbraw/zinc/11/61/27/638116127.db2.gz FHUJYTRSQIDLHY-SUMWQHHRSA-N 1 0 307.390 2.004 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000840962262 650395803 /nfs/dbraw/zinc/39/58/03/650395803.db2.gz JWDZDLYUXVVTFW-WMZOPIPTSA-N 1 0 306.450 2.410 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1OC ZINC000895790940 638198025 /nfs/dbraw/zinc/19/80/25/638198025.db2.gz MLSJHPSXFVQMGF-ZDUSSCGKSA-N 1 0 307.390 2.458 20 10 DECDRO CCSCC[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814370 638212630 /nfs/dbraw/zinc/21/26/30/638212630.db2.gz QVFAUFIXPKRPAW-UHFFFAOYSA-N 1 0 321.490 2.231 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895835166 638225743 /nfs/dbraw/zinc/22/57/43/638225743.db2.gz ADJBJEBHIKIRHA-ZDUSSCGKSA-N 1 0 305.296 2.148 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)c2nccnc2C)c(O)c1OC ZINC000895944957 638280325 /nfs/dbraw/zinc/28/03/25/638280325.db2.gz VODVNNWFNRICSX-LLVKDONJSA-N 1 0 303.362 2.359 20 10 DECDRO O=[N+]([O-])c1cc(CN[C@H]2CCC[NH2+]C2)ccc1N1CCCCC1 ZINC000841043075 650412645 /nfs/dbraw/zinc/41/26/45/650412645.db2.gz OJDSDMFJVGBWKM-HNNXBMFYSA-N 1 0 318.421 2.427 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c1 ZINC000896239324 638431761 /nfs/dbraw/zinc/43/17/61/638431761.db2.gz JDJUMTJLQRROHM-LBPRGKRZSA-N 1 0 303.362 2.472 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000896241042 638431783 /nfs/dbraw/zinc/43/17/83/638431783.db2.gz TZJMSPDVVLCTLR-CYBMUJFWSA-N 1 0 303.362 2.472 20 10 DECDRO CCOCc1cc(CN[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000841075626 650423267 /nfs/dbraw/zinc/42/32/67/650423267.db2.gz TUUKKLKLORZGPG-HNNXBMFYSA-N 1 0 314.376 2.319 20 10 DECDRO COc1ccc(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)c(O)c1OC ZINC000896411367 638509687 /nfs/dbraw/zinc/50/96/87/638509687.db2.gz KZWCMMIBTANMMG-DLBZAZTESA-N 1 0 323.389 2.185 20 10 DECDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841085965 650426941 /nfs/dbraw/zinc/42/69/41/650426941.db2.gz JYDVHBMJZGBVNX-LLVKDONJSA-N 1 0 305.205 2.167 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000749126081 638617000 /nfs/dbraw/zinc/61/70/00/638617000.db2.gz LIURNOUWKHXRPC-XJKSGUPXSA-N 1 0 301.434 2.276 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000751270186 639069833 /nfs/dbraw/zinc/06/98/33/639069833.db2.gz BOLKAYRRJBTLJF-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)c1 ZINC000897019498 639129188 /nfs/dbraw/zinc/12/91/88/639129188.db2.gz SUKONIFEICUMCB-UHFFFAOYSA-N 1 0 320.389 2.255 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000754119552 639390768 /nfs/dbraw/zinc/39/07/68/639390768.db2.gz CUJWFCZQIKZKHC-HOTGVXAUSA-N 1 0 303.450 2.063 20 10 DECDRO CN(C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C[NH+]1CCCC1 ZINC000841467185 650500479 /nfs/dbraw/zinc/50/04/79/650500479.db2.gz LMALEMYCAYKXJI-CLFYSBASSA-N 1 0 318.417 2.444 20 10 DECDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000756096632 639624917 /nfs/dbraw/zinc/62/49/17/639624917.db2.gz BHLQAIYTEATAIN-YOEHRIQHSA-N 1 0 305.491 2.280 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CC2(CO)CCOCC2)c2c1c(F)ccc2O ZINC000756762086 639693211 /nfs/dbraw/zinc/69/32/11/639693211.db2.gz SSZCJBOCXJKSLD-AAEUAGOBSA-N 1 0 309.381 2.458 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000839636241 639777733 /nfs/dbraw/zinc/77/77/33/639777733.db2.gz PIYQDJWILAHPNM-NSHDSACASA-N 1 0 324.808 2.158 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000841719417 650551066 /nfs/dbraw/zinc/55/10/66/650551066.db2.gz LXDPHZAAXGDWOK-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709424 650546904 /nfs/dbraw/zinc/54/69/04/650546904.db2.gz FSPSFXBUFCZNBI-CVEARBPZSA-N 1 0 316.449 2.356 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709580 650547165 /nfs/dbraw/zinc/54/71/65/650547165.db2.gz IFOAREYFKJUACB-INIZCTEOSA-N 1 0 318.465 2.459 20 10 DECDRO Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)c(O)c1O ZINC000760138570 640160159 /nfs/dbraw/zinc/16/01/59/640160159.db2.gz ZUEIYWBBGMQBCX-UHFFFAOYSA-N 1 0 306.406 2.258 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841761287 650558482 /nfs/dbraw/zinc/55/84/82/650558482.db2.gz ONSPGVITXGMFHU-OCCSQVGLSA-N 1 0 322.428 2.161 20 10 DECDRO C[C@@H]1CC[N@H+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000897428802 640206120 /nfs/dbraw/zinc/20/61/20/640206120.db2.gz SJZOIGRVXXOPPI-OAHLLOKOSA-N 1 0 318.465 2.236 20 10 DECDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793406 650565465 /nfs/dbraw/zinc/56/54/65/650565465.db2.gz KCQQJHLHLWALDT-HUUCEWRRSA-N 1 0 318.465 2.458 20 10 DECDRO CCOc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c(O)c1 ZINC000762484811 640431740 /nfs/dbraw/zinc/43/17/40/640431740.db2.gz WJGDMSNNLCITHS-HNNXBMFYSA-N 1 0 322.449 2.381 20 10 DECDRO Cc1ccc(N)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846231 650577735 /nfs/dbraw/zinc/57/77/35/650577735.db2.gz MEHIDZQSDQZCSU-QGZVFWFLSA-N 1 0 312.417 2.073 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841856952 650582472 /nfs/dbraw/zinc/58/24/72/650582472.db2.gz MCMSQUMHMSOEHD-MNOVXSKESA-N 1 0 314.480 2.004 20 10 DECDRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(N(C)C)cc1 ZINC000841880815 650591219 /nfs/dbraw/zinc/59/12/19/650591219.db2.gz HYHPVHZVOQQSJR-MFKMUULPSA-N 1 0 314.380 2.095 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841882195 650592107 /nfs/dbraw/zinc/59/21/07/650592107.db2.gz XLJLPBHAFJBEOB-DVOMOZLQSA-N 1 0 304.438 2.192 20 10 DECDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882031 650592127 /nfs/dbraw/zinc/59/21/27/650592127.db2.gz GSMQOEGCXQWUMM-CZUORRHYSA-N 1 0 304.438 2.207 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c(O)c1OC ZINC000897533889 640645008 /nfs/dbraw/zinc/64/50/08/640645008.db2.gz ZSVMVGKDCQAXOB-JSGCOSHPSA-N 1 0 309.406 2.440 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCOCC1CCC1 ZINC000764977328 640721583 /nfs/dbraw/zinc/72/15/83/640721583.db2.gz NRXLOWXFBHRYCE-UHFFFAOYSA-N 1 0 304.434 2.430 20 10 DECDRO CC[NH2+]CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841917075 650601998 /nfs/dbraw/zinc/60/19/98/650601998.db2.gz CIZAXHCMFZQJMG-UHFFFAOYSA-N 1 0 305.422 2.070 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000841918521 650602761 /nfs/dbraw/zinc/60/27/61/650602761.db2.gz MIRIKOYLNRKWQA-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO C[NH2+]CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841936979 650606318 /nfs/dbraw/zinc/60/63/18/650606318.db2.gz QXDZQJLREGBGGY-UHFFFAOYSA-N 1 0 304.438 2.038 20 10 DECDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000897561234 640801550 /nfs/dbraw/zinc/80/15/50/640801550.db2.gz AGNFPEAAOUGOKM-GFCCVEGCSA-N 1 0 309.385 2.062 20 10 DECDRO C[C@@H](C[NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841963412 650614385 /nfs/dbraw/zinc/61/43/85/650614385.db2.gz RGULZLMPHKTSHE-ZDUSSCGKSA-N 1 0 304.438 2.021 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1F ZINC000897624166 640874338 /nfs/dbraw/zinc/87/43/38/640874338.db2.gz WLSLREMDGHMVIH-SJCJKPOMSA-N 1 0 323.387 2.118 20 10 DECDRO C[C@@H](CCC[NH3+])NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841999646 650623018 /nfs/dbraw/zinc/62/30/18/650623018.db2.gz NGXIPSHUVOEOCD-LBPRGKRZSA-N 1 0 305.422 2.198 20 10 DECDRO CCOc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000768193244 641058602 /nfs/dbraw/zinc/05/86/02/641058602.db2.gz YNCSHMFHCRKSES-QGZVFWFLSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000768250762 641062224 /nfs/dbraw/zinc/06/22/24/641062224.db2.gz DLYAMXLKUHPYAB-QGZVFWFLSA-N 1 0 304.434 2.387 20 10 DECDRO COc1cc(C[NH+]2CCC(CNC(C)=O)CC2)c(O)cc1C ZINC000768444348 641081894 /nfs/dbraw/zinc/08/18/94/641081894.db2.gz XTKDWARHJQURGS-UHFFFAOYSA-N 1 0 306.406 2.057 20 10 DECDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(C)C ZINC000768444555 641082880 /nfs/dbraw/zinc/08/28/80/641082880.db2.gz AIZKMIJTQDGLNL-USXIJHARSA-N 1 0 321.417 2.453 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)[C@H](O)CO2 ZINC000768465228 641084496 /nfs/dbraw/zinc/08/44/96/641084496.db2.gz DDZWNFNJVQTIMR-MRXNPFEDSA-N 1 0 319.401 2.211 20 10 DECDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000989760928 641219062 /nfs/dbraw/zinc/21/90/62/641219062.db2.gz JIQKPYWAPDIKAH-UHFFFAOYSA-N 1 0 317.393 2.407 20 10 DECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769934405 641310296 /nfs/dbraw/zinc/31/02/96/641310296.db2.gz CWFYTQZVLFAXBC-MPNWYJEXSA-N 1 0 308.397 2.079 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058088 641499797 /nfs/dbraw/zinc/49/97/97/641499797.db2.gz PQXJCZMUNHPBLG-HUUCEWRRSA-N 1 0 307.413 2.022 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)N(C)C)cc1 ZINC000898448767 641660721 /nfs/dbraw/zinc/66/07/21/641660721.db2.gz WURLHPWEAHLEGK-QGZVFWFLSA-N 1 0 314.433 2.246 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](CCO)C3CC3)CC2)cc1 ZINC000773012955 641716275 /nfs/dbraw/zinc/71/62/75/641716275.db2.gz LJHXKFCZUPYUOB-SFHVURJKSA-N 1 0 304.434 2.415 20 10 DECDRO Oc1ccccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723942 641765563 /nfs/dbraw/zinc/76/55/63/641765563.db2.gz KNAOEPWNLUMFKV-LLVKDONJSA-N 1 0 322.206 2.456 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000773749889 641819206 /nfs/dbraw/zinc/81/92/06/641819206.db2.gz IQABMTUSSSJNPG-KRWDZBQOSA-N 1 0 303.450 2.491 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(F)C2)[NH+](C)C)cc1 ZINC000899104662 641936551 /nfs/dbraw/zinc/93/65/51/641936551.db2.gz RYYWOMORIWONJJ-OAHLLOKOSA-N 1 0 322.428 2.109 20 10 DECDRO Cc1cccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)c1O ZINC000775646272 642071030 /nfs/dbraw/zinc/07/10/30/642071030.db2.gz WIFCTPLXSNTWQM-UHFFFAOYSA-N 1 0 303.406 2.034 20 10 DECDRO Cc1cccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1O ZINC000775645428 642071594 /nfs/dbraw/zinc/07/15/94/642071594.db2.gz LOJYBAZHIJVQOO-UHFFFAOYSA-N 1 0 317.433 2.424 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000775711489 642083506 /nfs/dbraw/zinc/08/35/06/642083506.db2.gz BJZLPSCSTOECGK-STQMWFEESA-N 1 0 308.422 2.324 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000775711486 642083802 /nfs/dbraw/zinc/08/38/02/642083802.db2.gz BJZLPSCSTOECGK-CHWSQXEVSA-N 1 0 308.422 2.324 20 10 DECDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1C ZINC000924760165 642128408 /nfs/dbraw/zinc/12/84/08/642128408.db2.gz OJUSFDJOQXNREB-IGCXYCKISA-N 1 0 322.424 2.300 20 10 DECDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000776498583 642179134 /nfs/dbraw/zinc/17/91/34/642179134.db2.gz OPYDTHFPRCJTRC-UHFFFAOYSA-N 1 0 322.424 2.447 20 10 DECDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)c(O)c1O ZINC000780854052 642679972 /nfs/dbraw/zinc/67/99/72/642679972.db2.gz KAMYMCIKLMOILC-UHFFFAOYSA-N 1 0 306.406 2.401 20 10 DECDRO Cc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(O)c1O ZINC000780923539 642690005 /nfs/dbraw/zinc/69/00/05/642690005.db2.gz UAXVBOUDJCYIFQ-UHFFFAOYSA-N 1 0 310.313 2.239 20 10 DECDRO Cc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(O)c1O ZINC000780933384 642692010 /nfs/dbraw/zinc/69/20/10/642692010.db2.gz WUZVFQSTMCCQEZ-BETUJISGSA-N 1 0 306.406 2.399 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000781911799 642798152 /nfs/dbraw/zinc/79/81/52/642798152.db2.gz RUUHQNFQLZTFEJ-RYUDHWBXSA-N 1 0 311.223 2.114 20 10 DECDRO CC(C)(C)CC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000783625652 643030314 /nfs/dbraw/zinc/03/03/14/643030314.db2.gz AWRCSNBQUHKSOV-UHFFFAOYSA-N 1 0 324.490 2.447 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)c1O ZINC000902605667 643082938 /nfs/dbraw/zinc/08/29/38/643082938.db2.gz FGFLUDHHUMARRF-HOTGVXAUSA-N 1 0 321.417 2.479 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccncc2N)N(C)C)cc1 ZINC000902724282 643121599 /nfs/dbraw/zinc/12/15/99/643121599.db2.gz ULYZINDAXIBMAH-SFHVURJKSA-N 1 0 313.449 2.122 20 10 DECDRO Fc1cc(C[NH2+]CC[C@H]2CCOC2)ccc1N1CCOCC1 ZINC000784661791 643162694 /nfs/dbraw/zinc/16/26/94/643162694.db2.gz GXCBVKLTYYKATE-AWEZNQCLSA-N 1 0 308.397 2.179 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCCOCC2)c2c1c(F)ccc2O ZINC000903225747 643288428 /nfs/dbraw/zinc/28/84/28/643288428.db2.gz AGEUKVDEJCFZTO-TZMCWYRMSA-N 1 0 308.397 2.392 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000903345227 643320756 /nfs/dbraw/zinc/32/07/56/643320756.db2.gz ZAJJHMNNAIIJEW-UONOGXRCSA-N 1 0 308.422 2.162 20 10 DECDRO C[C@@H]([NH2+]CCCc1nnnn1C)c1ccc2ccccc2c1O ZINC000903348630 643322841 /nfs/dbraw/zinc/32/28/41/643322841.db2.gz HLRWNYDUQPGWGW-GFCCVEGCSA-N 1 0 311.389 2.352 20 10 DECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903400759 643344847 /nfs/dbraw/zinc/34/48/47/643344847.db2.gz WJLIWBHACVDIEF-HEHGZKQESA-N 1 0 308.397 2.348 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)cn1 ZINC000903449336 643355598 /nfs/dbraw/zinc/35/55/98/643355598.db2.gz XKUYSNMJPTUIRX-KDOFPFPSSA-N 1 0 315.465 2.440 20 10 DECDRO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000786950758 643432587 /nfs/dbraw/zinc/43/25/87/643432587.db2.gz QIMLHKRMEKTWLS-INIZCTEOSA-N 1 0 310.463 2.228 20 10 DECDRO COc1cc(O)c(C[NH2+]CC[C@@H](OC)C(F)(F)F)cc1OC ZINC000787418747 643492118 /nfs/dbraw/zinc/49/21/18/643492118.db2.gz YFIZUGINSUNWAG-CYBMUJFWSA-N 1 0 323.311 2.466 20 10 DECDRO CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903982149 643535350 /nfs/dbraw/zinc/53/53/50/643535350.db2.gz LWTLMTFYKVOGAW-UONOGXRCSA-N 1 0 301.356 2.464 20 10 DECDRO CCn1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1=O ZINC000788606257 643627756 /nfs/dbraw/zinc/62/77/56/643627756.db2.gz WZGUPNUUAKISCV-GFCCVEGCSA-N 1 0 302.374 2.433 20 10 DECDRO NOCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000904458233 643674810 /nfs/dbraw/zinc/67/48/10/643674810.db2.gz VPVBXXKIFMFHBV-UHFFFAOYSA-N 1 0 302.374 2.341 20 10 DECDRO CCOc1ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000789766373 643772409 /nfs/dbraw/zinc/77/24/09/643772409.db2.gz ZJYQGYOMWVMJRU-GASCZTMLSA-N 1 0 322.449 2.332 20 10 DECDRO Oc1cc2c(cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)OCO2 ZINC000843048072 650877151 /nfs/dbraw/zinc/87/71/51/650877151.db2.gz MHCQHANBQHHKEQ-KBPBESRZSA-N 1 0 304.390 2.227 20 10 DECDRO C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000790758141 643889008 /nfs/dbraw/zinc/88/90/08/643889008.db2.gz XGFGURMEDPOMSG-SFYZADRCSA-N 1 0 309.320 2.404 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000791145267 643933675 /nfs/dbraw/zinc/93/36/75/643933675.db2.gz GXMFJZABXAKSIB-QKIRZYONSA-N 1 0 318.417 2.348 20 10 DECDRO [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC12CCOCC2 ZINC000843124471 650901107 /nfs/dbraw/zinc/90/11/07/650901107.db2.gz BDYFFIANXRXPDW-CYBMUJFWSA-N 1 0 310.825 2.233 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC000793387558 644243475 /nfs/dbraw/zinc/24/34/75/644243475.db2.gz HAWTZBBCXPNFLE-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000794669254 644456634 /nfs/dbraw/zinc/45/66/34/644456634.db2.gz SKMVEYHOMJMWNZ-DYVFJYSZSA-N 1 0 307.390 2.089 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c(O)c1 ZINC000907924911 644691173 /nfs/dbraw/zinc/69/11/73/644691173.db2.gz AVYOXEAOJJIVMB-DZGCQCFKSA-N 1 0 304.390 2.034 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C[NH3+])c1 ZINC000843488355 650983696 /nfs/dbraw/zinc/98/36/96/650983696.db2.gz WHPKLGDFMRNEIL-UHFFFAOYSA-N 1 0 301.390 2.467 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000910283692 645388109 /nfs/dbraw/zinc/38/81/09/645388109.db2.gz LNVXKDJOHSHXML-STMXVASLSA-N 1 0 304.390 2.054 20 10 DECDRO COc1ccc(N2CCCN(CN3CC[C@@H](C)C3=O)CC2)cc1 ZINC000839969241 645532225 /nfs/dbraw/zinc/53/22/25/645532225.db2.gz KOCFTXAICUIUFI-OAHLLOKOSA-N 1 0 317.433 2.033 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)NCC3)cc1 ZINC000911665494 645769895 /nfs/dbraw/zinc/76/98/95/645769895.db2.gz CUNYQLVITZEHEW-QGZVFWFLSA-N 1 0 324.428 2.150 20 10 DECDRO CN(Cc1ccccc1)C1CN(C(=O)C2=CC(=O)CS2)C1 ZINC000807693399 645977037 /nfs/dbraw/zinc/97/70/37/645977037.db2.gz PZXBSXXJCDKOKM-UHFFFAOYSA-N 1 0 302.399 2.410 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c(O)c1 ZINC000808454275 646088101 /nfs/dbraw/zinc/08/81/01/646088101.db2.gz OCRQYGSHNRSVBZ-MAUKXSAKSA-N 1 0 315.369 2.375 20 10 DECDRO CCOc1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c(O)c1 ZINC000810159272 646332962 /nfs/dbraw/zinc/33/29/62/646332962.db2.gz LHGKDXKZDHQEFE-UHFFFAOYSA-N 1 0 314.385 2.109 20 10 DECDRO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810163164 646333713 /nfs/dbraw/zinc/33/37/13/646333713.db2.gz KXMFNVUVZYFVPA-HNNXBMFYSA-N 1 0 323.456 2.481 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000164407394 646442839 /nfs/dbraw/zinc/44/28/39/646442839.db2.gz XBPILDXMSNVKAM-MRXNPFEDSA-N 1 0 304.434 2.163 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000164527683 646449149 /nfs/dbraw/zinc/44/91/49/646449149.db2.gz CELWHRVOXYKBHQ-ZFWWWQNUSA-N 1 0 309.431 2.416 20 10 DECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1[C@H]1CCCO1 ZINC000811779291 646576296 /nfs/dbraw/zinc/57/62/96/646576296.db2.gz OPYGWAYTEMLITH-ZMSDIMECSA-N 1 0 319.401 2.207 20 10 DECDRO CCOc1ccc(C[NH2+]CC2(COC)CCOCC2)c(O)c1 ZINC000813781769 646808072 /nfs/dbraw/zinc/80/80/72/646808072.db2.gz RYMBDUQDQCRUTE-UHFFFAOYSA-N 1 0 309.406 2.324 20 10 DECDRO Cc1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1N(C)C ZINC000815077901 646963869 /nfs/dbraw/zinc/96/38/69/646963869.db2.gz IDWGYAIAADYZSG-HNNXBMFYSA-N 1 0 303.406 2.088 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCOC1 ZINC000151899988 647045233 /nfs/dbraw/zinc/04/52/33/647045233.db2.gz NGVGRWPYXGXTGS-KRWDZBQOSA-N 1 0 304.434 2.382 20 10 DECDRO C[C@@H](CNC(=O)NCc1c(O)cccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000914074370 647145908 /nfs/dbraw/zinc/14/59/08/647145908.db2.gz DCGFYNFJEZBEAD-OLZOCXBDSA-N 1 0 323.412 2.451 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816556019 647151514 /nfs/dbraw/zinc/15/15/14/647151514.db2.gz XGNJVUIFOSNCCO-UHFFFAOYSA-N 1 0 319.426 2.460 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1C ZINC000816666160 647165462 /nfs/dbraw/zinc/16/54/62/647165462.db2.gz GEJXARNTYQUZPV-QZTJIDSGSA-N 1 0 305.418 2.419 20 10 DECDRO CC[C@@H]1C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](CC)O1 ZINC000817364557 647276999 /nfs/dbraw/zinc/27/69/99/647276999.db2.gz HRISSWLWFOBNAI-IOASZLSFSA-N 1 0 307.390 2.207 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817887870 647372033 /nfs/dbraw/zinc/37/20/33/647372033.db2.gz GHHKISRPEPCCOZ-OALUTQOASA-N 1 0 317.477 2.389 20 10 DECDRO C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817890401 647372174 /nfs/dbraw/zinc/37/21/74/647372174.db2.gz XJORDKSLHOQTCU-YOEHRIQHSA-N 1 0 305.491 2.470 20 10 DECDRO CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817934679 647386710 /nfs/dbraw/zinc/38/67/10/647386710.db2.gz AMFJRZSFHLWATI-OAHLLOKOSA-N 1 0 311.857 2.382 20 10 DECDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817941545 647389236 /nfs/dbraw/zinc/38/92/36/647389236.db2.gz RJADSRIUUFLAJM-ZFWWWQNUSA-N 1 0 307.413 2.065 20 10 DECDRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000817957750 647392418 /nfs/dbraw/zinc/39/24/18/647392418.db2.gz PCBJETFDYODTAG-JTQLQIEISA-N 1 0 305.403 2.405 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817959177 647394002 /nfs/dbraw/zinc/39/40/02/647394002.db2.gz COXGWTBXOXLETI-CORIIIEPSA-N 1 0 306.406 2.347 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000817996635 647402467 /nfs/dbraw/zinc/40/24/67/647402467.db2.gz LBNQYYKRYUPJEN-IAQYHMDHSA-N 1 0 306.406 2.356 20 10 DECDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000817997804 647403282 /nfs/dbraw/zinc/40/32/82/647403282.db2.gz XRSUPOKSQZGQHO-BLLLJJGKSA-N 1 0 302.418 2.275 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]2O)ccc1N1CCCCC1 ZINC000818230962 647436866 /nfs/dbraw/zinc/43/68/66/647436866.db2.gz KMJNKAKGJYQYJO-CZUORRHYSA-N 1 0 305.378 2.198 20 10 DECDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997178 647561605 /nfs/dbraw/zinc/56/16/05/647561605.db2.gz UIKHQZRWFVYXPQ-QGZVFWFLSA-N 1 0 313.397 2.459 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000819374587 647646391 /nfs/dbraw/zinc/64/63/91/647646391.db2.gz GKYRZSADYWCERX-UONOGXRCSA-N 1 0 312.479 2.015 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000915927415 647819001 /nfs/dbraw/zinc/81/90/01/647819001.db2.gz LZDZATPVDYBTTQ-RDJZCZTQSA-N 1 0 316.449 2.179 20 10 DECDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994496193 647970524 /nfs/dbraw/zinc/97/05/24/647970524.db2.gz OVGLSVNMHDMOMF-FZMZJTMJSA-N 1 0 317.393 2.452 20 10 DECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000154421713 648007441 /nfs/dbraw/zinc/00/74/41/648007441.db2.gz BYVRPOKOMHSKHY-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO CCOc1cccc(CN2CC[NH+](C(C)(C)COC)CC2)c1O ZINC000822497931 648219481 /nfs/dbraw/zinc/21/94/81/648219481.db2.gz OOYRYHUPKFXZPL-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CCNC(=O)C[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000921029275 648268666 /nfs/dbraw/zinc/26/86/66/648268666.db2.gz QAPLZABGCHLLCI-UHFFFAOYSA-N 1 0 302.374 2.122 20 10 DECDRO C[C@@H]1[C@@H](NC(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000921447742 648318872 /nfs/dbraw/zinc/31/88/72/648318872.db2.gz RJGRRIFVPZRPQW-MNOVXSKESA-N 1 0 314.480 2.017 20 10 DECDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000823576043 648445531 /nfs/dbraw/zinc/44/55/31/648445531.db2.gz HGEIFUGXAMRGNQ-MRXNPFEDSA-N 1 0 307.390 2.182 20 10 DECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000180185875 648470089 /nfs/dbraw/zinc/47/00/89/648470089.db2.gz UEKOBQHBLMMHSI-CYBMUJFWSA-N 1 0 316.195 2.120 20 10 DECDRO CN(C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180595094 648501846 /nfs/dbraw/zinc/50/18/46/648501846.db2.gz RBCVPSHIDQMXAS-STMXVASLSA-N 1 0 316.357 2.123 20 10 DECDRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180891279 648521479 /nfs/dbraw/zinc/52/14/79/648521479.db2.gz IYUPIUZVWSKPJA-GQCTYLIASA-N 1 0 318.417 2.349 20 10 DECDRO c1ccn2c(c1)nnc2CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921497156 648615779 /nfs/dbraw/zinc/61/57/79/648615779.db2.gz IQMLAUHCKORBTJ-UHFFFAOYSA-N 1 0 308.385 2.387 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2CCO)c1O ZINC000824583425 648616537 /nfs/dbraw/zinc/61/65/37/648616537.db2.gz LIMDAIQKZWSBHI-OAHLLOKOSA-N 1 0 312.841 2.290 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)ccc1OC ZINC000824707875 648639426 /nfs/dbraw/zinc/63/94/26/648639426.db2.gz BELLMNPXJXKBEZ-YJBOKZPZSA-N 1 0 323.433 2.373 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000825045067 648691615 /nfs/dbraw/zinc/69/16/15/648691615.db2.gz BKLQXEDNYGIMIV-QAPCUYQASA-N 1 0 314.433 2.496 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1Cl ZINC000825366069 648749835 /nfs/dbraw/zinc/74/98/35/648749835.db2.gz RDTZNKFCYKVMMP-LLVKDONJSA-N 1 0 303.811 2.021 20 10 DECDRO COc1cc(CN2C[C@H](CO)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825651717 648793706 /nfs/dbraw/zinc/79/37/06/648793706.db2.gz KFWCXYSOJPXGHL-SWLSCSKDSA-N 1 0 323.433 2.280 20 10 DECDRO CC1(C[NH2+]Cc2ccc(Br)cc2O)OCCCO1 ZINC000825693032 648800346 /nfs/dbraw/zinc/80/03/46/648800346.db2.gz RVHGVRCGUIDCNW-UHFFFAOYSA-N 1 0 316.195 2.397 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C)c1 ZINC000182394526 648895688 /nfs/dbraw/zinc/89/56/88/648895688.db2.gz XFHNQHXAFVSENX-GFCCVEGCSA-N 1 0 315.435 2.265 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827132413 648978900 /nfs/dbraw/zinc/97/89/00/648978900.db2.gz MHPYBWLPGWYPBC-SMDDNHRTSA-N 1 0 308.809 2.455 20 10 DECDRO COC(=O)N(C)CC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000827346792 649019458 /nfs/dbraw/zinc/01/94/58/649019458.db2.gz LNVCGVKDFHQNTF-SREVYHEPSA-N 1 0 305.422 2.396 20 10 DECDRO C[C@@H]([NH3+])CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003559 649258322 /nfs/dbraw/zinc/25/83/22/649258322.db2.gz PEKLRWBBUUEJCZ-UKRRQHHQSA-N 1 0 306.406 2.027 20 10 DECDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000832266773 649690484 /nfs/dbraw/zinc/69/04/84/649690484.db2.gz IMHKVVBGDOEJBK-BXKDBHETSA-N 1 0 303.328 2.067 20 10 DECDRO CCO[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000832266941 649690552 /nfs/dbraw/zinc/69/05/52/649690552.db2.gz LDTPAVRUNRVOIK-IAGOWNOFSA-N 1 0 321.465 2.320 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Cl)cn2)cc1 ZINC000832274523 649691525 /nfs/dbraw/zinc/69/15/25/649691525.db2.gz USXJKGWFDLZKQZ-CQSZACIVSA-N 1 0 318.808 2.231 20 10 DECDRO CCCCSCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299562 649694250 /nfs/dbraw/zinc/69/42/50/649694250.db2.gz DNZKTOKAPSPLFZ-HNNXBMFYSA-N 1 0 309.479 2.402 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000844923687 651183691 /nfs/dbraw/zinc/18/36/91/651183691.db2.gz HHMFDUNGKZSBOM-LBPRGKRZSA-N 1 0 306.406 2.219 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000844981171 651190136 /nfs/dbraw/zinc/19/01/36/651190136.db2.gz RLOQXFVFICHAEI-GFCCVEGCSA-N 1 0 309.797 2.082 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC([C@@H](C)CO)CC2)cc1OC ZINC000846057831 651304731 /nfs/dbraw/zinc/30/47/31/651304731.db2.gz KJVIEHDKYLRYTE-LBPRGKRZSA-N 1 0 309.406 2.250 20 10 DECDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846147964 651311036 /nfs/dbraw/zinc/31/10/36/651311036.db2.gz YMZXRWQGDYITJH-NSHDSACASA-N 1 0 308.378 2.282 20 10 DECDRO [NH3+]CC1(CCNC(=O)NCCCSc2nccs2)CC1 ZINC000846155743 651311756 /nfs/dbraw/zinc/31/17/56/651311756.db2.gz VUJIJHPTEFGMMO-UHFFFAOYSA-N 1 0 314.480 2.054 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000846174707 651313223 /nfs/dbraw/zinc/31/32/23/651313223.db2.gz YOWHAZGIUXADDN-JSGCOSHPSA-N 1 0 302.374 2.223 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000846172988 651313242 /nfs/dbraw/zinc/31/32/42/651313242.db2.gz OQRDVVRECNZAKT-YVEFUNNKSA-N 1 0 309.406 2.229 20 10 DECDRO O=C(NCCCSc1nccs1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846671482 651344570 /nfs/dbraw/zinc/34/45/70/651344570.db2.gz UFNURZLCXWKTME-VXGBXAGGSA-N 1 0 311.476 2.272 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000846676706 651345015 /nfs/dbraw/zinc/34/50/15/651345015.db2.gz IQDVQZWFJIQPNZ-LKTVYLICSA-N 1 0 304.390 2.109 20 10 DECDRO CC[N@H+](C)C[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765954 651350325 /nfs/dbraw/zinc/35/03/25/651350325.db2.gz GIXJOJMRCKHAPB-LJQANCHMSA-N 1 0 319.493 2.421 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CC[C@H]2CCNC2=O)cc1 ZINC000846766792 651350391 /nfs/dbraw/zinc/35/03/91/651350391.db2.gz WUOVVQLWUFIDBM-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO CC[N@H+](C)C[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776555 651350858 /nfs/dbraw/zinc/35/08/58/651350858.db2.gz REVJTBXIDRUHBO-SFHVURJKSA-N 1 0 305.466 2.030 20 10 DECDRO O=C(NCc1ccccc1O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847303609 651387925 /nfs/dbraw/zinc/38/79/25/651387925.db2.gz XTCTUYUXWWNXOR-CABCVRRESA-N 1 0 303.406 2.208 20 10 DECDRO C/C(=C/c1cccnc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394088 651455681 /nfs/dbraw/zinc/45/56/81/651455681.db2.gz MVXXFHNPHWXKNU-DEQJRXDXSA-N 1 0 324.428 2.367 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848410244 651456999 /nfs/dbraw/zinc/45/69/99/651456999.db2.gz DTGCUZRCTPURIV-HKUYNNGSSA-N 1 0 313.445 2.293 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2conc2C(C)(C)[NH3+])c1 ZINC000848425907 651458179 /nfs/dbraw/zinc/45/81/79/651458179.db2.gz FWCKPZXBBYJVTJ-SECBINFHSA-N 1 0 319.361 2.074 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000848562779 651470884 /nfs/dbraw/zinc/47/08/84/651470884.db2.gz LVLAHSJUGZLUQI-LBPRGKRZSA-N 1 0 308.769 2.305 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848563924 651471498 /nfs/dbraw/zinc/47/14/98/651471498.db2.gz ZDWWEVMITMEDBZ-SOUVJXGZSA-N 1 0 322.449 2.378 20 10 DECDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Cl)ccc1O ZINC000848565512 651472017 /nfs/dbraw/zinc/47/20/17/651472017.db2.gz XWVCPCLIOULSFK-ONGXEEELSA-N 1 0 306.797 2.382 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCN3CCCC[C@H]13)OCO2 ZINC000848574945 651473472 /nfs/dbraw/zinc/47/34/72/651473472.db2.gz JLQVFFNAGVMVMF-UONOGXRCSA-N 1 0 304.390 2.227 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)c(C)o1 ZINC000848907896 651554728 /nfs/dbraw/zinc/55/47/28/651554728.db2.gz KPUKJPYJOKGBDW-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO COc1cc(C[NH2+]CC[C@@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850338009 651901692 /nfs/dbraw/zinc/90/16/92/651901692.db2.gz CQNOLYXOHOSCJM-GOSISDBHSA-N 1 0 323.433 2.329 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c1O ZINC000850341740 651904192 /nfs/dbraw/zinc/90/41/92/651904192.db2.gz DXABIWJGUNPWPV-UHFFFAOYSA-N 1 0 314.385 2.327 20 10 DECDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346523 651904885 /nfs/dbraw/zinc/90/48/85/651904885.db2.gz GSDGNIZLVPAPSH-OAHLLOKOSA-N 1 0 314.433 2.360 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1 ZINC000850353328 651909058 /nfs/dbraw/zinc/90/90/58/651909058.db2.gz AIVHPEXVBFKNKN-JLJPHGGASA-N 1 0 323.433 2.447 20 10 DECDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000850354078 651909126 /nfs/dbraw/zinc/90/91/26/651909126.db2.gz UYJUPZYXBXUAIP-JQHSSLGASA-N 1 0 306.450 2.408 20 10 DECDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000850389529 651917476 /nfs/dbraw/zinc/91/74/76/651917476.db2.gz YZDJQRHVRCLXAO-IRXDYDNUSA-N 1 0 320.408 2.055 20 10 DECDRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000850486901 651937905 /nfs/dbraw/zinc/93/79/05/651937905.db2.gz WCFJZVQLVURRAO-NSHDSACASA-N 1 0 315.410 2.397 20 10 DECDRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000850494866 651939817 /nfs/dbraw/zinc/93/98/17/651939817.db2.gz YNYNEDHVRUQXNL-BLLLJJGKSA-N 1 0 309.406 2.493 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)cc1O ZINC000850545725 651950148 /nfs/dbraw/zinc/95/01/48/651950148.db2.gz DQANWCSWLNOXMG-WPRPVWTQSA-N 1 0 313.195 2.084 20 10 DECDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568174 651953615 /nfs/dbraw/zinc/95/36/15/651953615.db2.gz QVDAWCCMWHDFDM-QGZVFWFLSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1nccnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000856767455 651977691 /nfs/dbraw/zinc/97/76/91/651977691.db2.gz PANLRDNHEGBHQH-AWEZNQCLSA-N 1 0 312.417 2.472 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857059072 652042388 /nfs/dbraw/zinc/04/23/88/652042388.db2.gz ZNMVUPFUVPNXAK-INIZCTEOSA-N 1 0 317.410 2.460 20 10 DECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143694 652264817 /nfs/dbraw/zinc/26/48/17/652264817.db2.gz RTTMPWBCXUYWNF-XPTSAGLGSA-N 1 0 304.406 2.233 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858212549 652280202 /nfs/dbraw/zinc/28/02/02/652280202.db2.gz OVPMZRSKNFCHHP-OAHLLOKOSA-N 1 0 305.422 2.374 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000858294601 652298576 /nfs/dbraw/zinc/29/85/76/652298576.db2.gz JYTWKARFYOWGQC-HNNXBMFYSA-N 1 0 319.449 2.478 20 10 DECDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858338355 652311483 /nfs/dbraw/zinc/31/14/83/652311483.db2.gz GFZZGSNKEUPROP-SFHVURJKSA-N 1 0 312.413 2.215 20 10 DECDRO Cc1cc(C(=O)N(C)CC(C)(C)[NH3+])c(C)n1-c1ccccn1 ZINC000852841808 652467565 /nfs/dbraw/zinc/46/75/65/652467565.db2.gz QMUVCJAUDPQWRK-UHFFFAOYSA-N 1 0 300.406 2.298 20 10 DECDRO C[C@H]([NH2+]CCOCCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000853238147 652528043 /nfs/dbraw/zinc/52/80/43/652528043.db2.gz ALALTNZLZSIOSI-ZDUSSCGKSA-N 1 0 314.376 2.299 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000111420743 652570464 /nfs/dbraw/zinc/57/04/64/652570464.db2.gz MXJVMBGIFKFUIL-QGZVFWFLSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@@H](NC(=O)NCC[C@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000854004435 652631983 /nfs/dbraw/zinc/63/19/83/652631983.db2.gz RPQQCUXVQJQBDR-UONOGXRCSA-N 1 0 306.454 2.453 20 10 DECDRO COc1ccc(N2CC[C@H](N[C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217679 652658459 /nfs/dbraw/zinc/65/84/59/652658459.db2.gz OPLGFWJTGFLPQW-MPGHIAIKSA-N 1 0 303.450 2.394 20 10 DECDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305167713 685280380 /nfs/dbraw/zinc/28/03/80/685280380.db2.gz SVEVSPUIUQJAJD-UKRRQHHQSA-N 1 0 310.413 2.474 20 10 DECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000858587398 685563738 /nfs/dbraw/zinc/56/37/38/685563738.db2.gz MUUSPOSBDHGILU-VXGBXAGGSA-N 1 0 306.406 2.330 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603253 685567200 /nfs/dbraw/zinc/56/72/00/685567200.db2.gz VGZLKCDSLLWAHG-RISCZKNCSA-N 1 0 304.390 2.205 20 10 DECDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000092100853 684040944 /nfs/dbraw/zinc/04/09/44/684040944.db2.gz BAXOUJDONRLAEX-AWEZNQCLSA-N 1 0 306.406 2.091 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092938529 684047356 /nfs/dbraw/zinc/04/73/56/684047356.db2.gz JLKNYNDSDWEZTE-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000093277219 684048727 /nfs/dbraw/zinc/04/87/27/684048727.db2.gz CMLRSMCAKBDLRI-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO CCCNC(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000129925098 684183474 /nfs/dbraw/zinc/18/34/74/684183474.db2.gz XIFGBYRLPPEFTG-UHFFFAOYSA-N 1 0 319.449 2.170 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Br)ccc1O ZINC000136092920 684238136 /nfs/dbraw/zinc/23/81/36/684238136.db2.gz HNELCAQCZVKBNY-GZMMTYOYSA-N 1 0 315.211 2.459 20 10 DECDRO Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(O)c1O ZINC000246475231 685130653 /nfs/dbraw/zinc/13/06/53/685130653.db2.gz OJLSIFWDTLRUPL-DGCLKSJQSA-N 1 0 306.406 2.256 20 10 DECDRO Cn1cc(CC[N@H+](Cc2ccco2)Cc2ccccc2O)nn1 ZINC000859190687 685676606 /nfs/dbraw/zinc/67/66/06/685676606.db2.gz NTHMVUSJUFKCDV-UHFFFAOYSA-N 1 0 312.373 2.359 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000859663638 685788535 /nfs/dbraw/zinc/78/85/35/685788535.db2.gz QSUKPZPDHIBGAK-KRWDZBQOSA-N 1 0 301.434 2.435 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000861583612 686150443 /nfs/dbraw/zinc/15/04/43/686150443.db2.gz WSECXPWUGKRPEC-QGZVFWFLSA-N 1 0 318.465 2.200 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1F ZINC000862250512 686265532 /nfs/dbraw/zinc/26/55/32/686265532.db2.gz POGQKRBINJXTCY-NSHDSACASA-N 1 0 311.376 2.118 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@H]1OC ZINC000862325605 686276582 /nfs/dbraw/zinc/27/65/82/686276582.db2.gz CNWREWIKKSNWCW-FVQBIDKESA-N 1 0 314.376 2.313 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H]1CO ZINC000862336402 686278658 /nfs/dbraw/zinc/27/86/58/686278658.db2.gz DGAABANEGYHVRS-BXKDBHETSA-N 1 0 300.196 2.357 20 10 DECDRO C[N@@H+]1C[C@@H]2CCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000862372763 686284785 /nfs/dbraw/zinc/28/47/85/686284785.db2.gz AFEJPMYHKNKNGR-GXFFZTMASA-N 1 0 311.223 2.291 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1F ZINC000862407519 686294755 /nfs/dbraw/zinc/29/47/55/686294755.db2.gz HEIQGFLRSAXWKU-LBPRGKRZSA-N 1 0 321.375 2.144 20 10 DECDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H](C)O1 ZINC000862487446 686309221 /nfs/dbraw/zinc/30/92/21/686309221.db2.gz PLTQGEWMAULGQL-YGRLFVJLSA-N 1 0 313.781 2.116 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000862528061 686314476 /nfs/dbraw/zinc/31/44/76/686314476.db2.gz OCOWYIQUGYWUII-WVSHTKLVSA-N 1 0 300.196 2.324 20 10 DECDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cccn2)c(C)n1-c1ccccc1 ZINC000863583186 686527719 /nfs/dbraw/zinc/52/77/19/686527719.db2.gz PFGCEIYLJZVMEX-LJQANCHMSA-N 1 0 324.428 2.441 20 10 DECDRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000865776080 687330327 /nfs/dbraw/zinc/33/03/27/687330327.db2.gz JRILMKNYSYZMIF-UHFFFAOYSA-N 1 0 320.433 2.288 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000865780634 687332007 /nfs/dbraw/zinc/33/20/07/687332007.db2.gz ONDZFTZMFXOYIR-INIZCTEOSA-N 1 0 321.417 2.466 20 10 DECDRO CCOC(=O)/C=C/C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210603 694113358 /nfs/dbraw/zinc/11/33/58/694113358.db2.gz PDQDQMCHMRMWEI-MBVDDHJVSA-N 1 0 318.417 2.293 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]Cc1nnc(C3CCOCC3)[nH]1)CC2 ZINC000866439339 687572871 /nfs/dbraw/zinc/57/28/71/687572871.db2.gz FUFWYNWYCKOXAB-CYBMUJFWSA-N 1 0 314.389 2.181 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1O ZINC000868282461 687968782 /nfs/dbraw/zinc/96/87/82/687968782.db2.gz BWBCQFXCAJHUSI-GXTWGEPZSA-N 1 0 303.406 2.237 20 10 DECDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000930711901 694223649 /nfs/dbraw/zinc/22/36/49/694223649.db2.gz OYFQYGAGUOGKMU-QGZVFWFLSA-N 1 0 317.477 2.439 20 10 DECDRO COC[C@@H](C)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873024649 689143813 /nfs/dbraw/zinc/14/38/13/689143813.db2.gz YAZCXHSTVAOYGX-AWEZNQCLSA-N 1 0 303.406 2.312 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCOC2)cc1Cn1cccn1 ZINC000873046395 689148055 /nfs/dbraw/zinc/14/80/55/689148055.db2.gz LIMFLCZYODQTGY-INIZCTEOSA-N 1 0 301.390 2.209 20 10 DECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873106564 689159143 /nfs/dbraw/zinc/15/91/43/689159143.db2.gz AODSTINAXGRZNN-LIMHQNJXSA-N 1 0 315.417 2.357 20 10 DECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873106562 689159343 /nfs/dbraw/zinc/15/93/43/689159343.db2.gz AODSTINAXGRZNN-CWIOURORSA-N 1 0 315.417 2.357 20 10 DECDRO COc1ccc(CN[C@@H]2CCn3ccnc32)cc1Cn1cccn1 ZINC000873129768 689165124 /nfs/dbraw/zinc/16/51/24/689165124.db2.gz SUACDKHIJZJNSW-MRXNPFEDSA-N 1 0 323.400 2.371 20 10 DECDRO COc1ccc(CNC2CC([NH+](C)C)C2)cc1Cn1cccn1 ZINC000873134025 689166566 /nfs/dbraw/zinc/16/65/66/689166566.db2.gz MKLXPZRYVDIKCL-UHFFFAOYSA-N 1 0 314.433 2.122 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1C ZINC000873133695 689166650 /nfs/dbraw/zinc/16/66/50/689166650.db2.gz JECMIROKTFGAGT-CQSZACIVSA-N 1 0 304.390 2.021 20 10 DECDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873156420 689173026 /nfs/dbraw/zinc/17/30/26/689173026.db2.gz XASDOSOSNNUYCW-KRWDZBQOSA-N 1 0 304.434 2.428 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000874300416 689385658 /nfs/dbraw/zinc/38/56/58/689385658.db2.gz QNTQIAFUDNEQGJ-AWEZNQCLSA-N 1 0 315.377 2.159 20 10 DECDRO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C[NH+](C)C ZINC000875361722 689612923 /nfs/dbraw/zinc/61/29/23/689612923.db2.gz UDCSFHHMYILLDB-GFCCVEGCSA-N 1 0 305.422 2.394 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875373582 689615141 /nfs/dbraw/zinc/61/51/41/689615141.db2.gz VWHRQYAHCJJEMA-CQSZACIVSA-N 1 0 303.406 2.292 20 10 DECDRO COc1ccnc(N2CC[NH+](Cc3c(C)cccc3O)CC2)c1 ZINC000876688226 689903954 /nfs/dbraw/zinc/90/39/54/689903954.db2.gz HSCOTBJWSZVQGE-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000876767715 689931077 /nfs/dbraw/zinc/93/10/77/689931077.db2.gz CEPFTCVDJCGCGG-ZDUSSCGKSA-N 1 0 305.447 2.310 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCCn3cccn3)cc2)CC1 ZINC000876919922 689972935 /nfs/dbraw/zinc/97/29/35/689972935.db2.gz AUIMYBAVJUONFV-UHFFFAOYSA-N 1 0 314.433 2.024 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(O)c1 ZINC000877068869 690012329 /nfs/dbraw/zinc/01/23/29/690012329.db2.gz CXADNMVWODKWQM-HNNXBMFYSA-N 1 0 300.406 2.193 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1Cn1cccn1 ZINC000877320961 690076134 /nfs/dbraw/zinc/07/61/34/690076134.db2.gz AGJDLJZWVVWDIM-QGZVFWFLSA-N 1 0 317.433 2.437 20 10 DECDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877539682 690145839 /nfs/dbraw/zinc/14/58/39/690145839.db2.gz QZQPFTVRWAAMPB-MRXNPFEDSA-N 1 0 319.493 2.466 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877552972 690149688 /nfs/dbraw/zinc/14/96/88/690149688.db2.gz UYGJSKYYPAERFV-SFHVURJKSA-N 1 0 304.434 2.162 20 10 DECDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877630542 690173314 /nfs/dbraw/zinc/17/33/14/690173314.db2.gz GSELUSIUZHNYJT-QFBILLFUSA-N 1 0 316.445 2.116 20 10 DECDRO Cc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c(O)c1 ZINC000877636058 690174197 /nfs/dbraw/zinc/17/41/97/690174197.db2.gz LGQYUZNGCOAJLA-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877692511 690192869 /nfs/dbraw/zinc/19/28/69/690192869.db2.gz GCUOBIURDRLJKQ-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO CC(C)[C@@H](O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923786 690261059 /nfs/dbraw/zinc/26/10/59/690261059.db2.gz WMSCKJHDCDJPJV-SFHVURJKSA-N 1 0 306.450 2.362 20 10 DECDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001036310431 690317567 /nfs/dbraw/zinc/31/75/67/690317567.db2.gz XKPRCTYARSSQBD-FZMZJTMJSA-N 1 0 317.393 2.309 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CC2(CO)CCCC2)c1 ZINC000878360842 690387965 /nfs/dbraw/zinc/38/79/65/690387965.db2.gz UKZDAKKVEVTFAY-KBPBESRZSA-N 1 0 323.433 2.355 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652246 690699081 /nfs/dbraw/zinc/69/90/81/690699081.db2.gz XYKDVKMYWJPRJR-CMPLNLGQSA-N 1 0 316.405 2.420 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880234663 690846106 /nfs/dbraw/zinc/84/61/06/690846106.db2.gz KOQSISOVNQAZLQ-INIZCTEOSA-N 1 0 321.440 2.393 20 10 DECDRO CC(C)CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849152 691173483 /nfs/dbraw/zinc/17/34/83/691173483.db2.gz ATAMTSZPQGHCAG-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C(F)=C3CCC3)cc2)CC1 ZINC000881852937 691173878 /nfs/dbraw/zinc/17/38/78/691173878.db2.gz GYYSGIFDGXXFQS-UHFFFAOYSA-N 1 0 317.408 2.462 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000884194112 691678638 /nfs/dbraw/zinc/67/86/38/691678638.db2.gz ZHRLGHNFXHBOOD-MRXNPFEDSA-N 1 0 303.450 2.395 20 10 DECDRO CC(C)OC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000884476680 691747329 /nfs/dbraw/zinc/74/73/29/691747329.db2.gz XIUVPOXNQUFOMC-UHFFFAOYSA-N 1 0 321.373 2.285 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886333386 692058800 /nfs/dbraw/zinc/05/88/00/692058800.db2.gz HXFLDUABJXCNLP-DCGLDWPTSA-N 1 0 307.390 2.217 20 10 DECDRO CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000889669191 692757507 /nfs/dbraw/zinc/75/75/07/692757507.db2.gz AWMXSYIMPPAQAC-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000924676332 693169211 /nfs/dbraw/zinc/16/92/11/693169211.db2.gz WBTVIQJGHHNVRW-UHFFFAOYSA-N 1 0 314.389 2.161 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2)CC1 ZINC001331897562 1149758881 /nfs/dbraw/zinc/75/88/81/1149758881.db2.gz JWAWXFWFSWEGKR-INIZCTEOSA-N 1 0 313.445 2.411 20 10 DECDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(O)c1OC ZINC001334126536 1150204169 /nfs/dbraw/zinc/20/41/69/1150204169.db2.gz RIAFEYJDCODCFD-CYBMUJFWSA-N 1 0 323.389 2.137 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCC[NH2+]2)cc1F ZINC001335988439 1150580586 /nfs/dbraw/zinc/58/05/86/1150580586.db2.gz VMWZBFGMMDFVGN-CQSZACIVSA-N 1 0 322.428 2.223 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001353391679 1151828053 /nfs/dbraw/zinc/82/80/53/1151828053.db2.gz WHVTUAGLUZOAGJ-NFAWXSAZSA-N 1 0 304.438 2.240 20 10 DECDRO [NH3+]CCCSCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001353494228 1151834178 /nfs/dbraw/zinc/83/41/78/1151834178.db2.gz CMSXJJUNWHUFOR-UHFFFAOYSA-N 1 0 321.490 2.375 20 10 DECDRO CN1CCCc2cc(CNC(=O)C[C@@H]([NH3+])C(C)(C)C)ccc21 ZINC001353518604 1151835839 /nfs/dbraw/zinc/83/58/39/1151835839.db2.gz PVZCTQFGRGFLFR-MRXNPFEDSA-N 1 0 303.450 2.449 20 10 DECDRO [NH3+][C@H]1C[C@@](C(=O)NCc2c(O)cccc2F)(c2ccccc2)C1 ZINC001358167645 1152368594 /nfs/dbraw/zinc/36/85/94/1152368594.db2.gz ITQQCRICCXZJMF-KTXOBNNYSA-N 1 0 314.360 2.207 20 10 DECDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC001358426579 1152384992 /nfs/dbraw/zinc/38/49/92/1152384992.db2.gz CSTIXIOZPXYLDH-UHFFFAOYSA-N 1 0 311.385 2.142 20 10 DECDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000724889229 777511508 /nfs/dbraw/zinc/51/15/08/777511508.db2.gz HVPSHDBNQQJKIU-DGCLKSJQSA-N 1 0 316.195 2.048 20 10 DECDRO CC[N@@H+]1CCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001073474221 790677957 /nfs/dbraw/zinc/67/79/57/790677957.db2.gz ZZMIIGHQONFXST-UHFFFAOYSA-N 1 0 315.377 2.017 20 10 DECDRO COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(O)c1 ZINC000093741824 780631749 /nfs/dbraw/zinc/63/17/49/780631749.db2.gz PXJMFRCFNVSIBA-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO Cn1c(=O)cccc1[NH2+]Cc1cc(Br)ccc1O ZINC001171178412 790897439 /nfs/dbraw/zinc/89/74/39/790897439.db2.gz ZHKOSMUXBHDMAK-UHFFFAOYSA-N 1 0 309.163 2.466 20 10 DECDRO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cc(O)cc1O ZINC001144499544 790934353 /nfs/dbraw/zinc/93/43/53/790934353.db2.gz IBPFFNHJQWZMGP-UHFFFAOYSA-N 1 0 317.341 2.207 20 10 DECDRO CCOC(=O)C[N@H+](Cc1c(O)cc(O)cc1O)C1CCCC1 ZINC001144515867 790943158 /nfs/dbraw/zinc/94/31/58/790943158.db2.gz HIJWWOQLISAJRD-UHFFFAOYSA-N 1 0 309.362 2.111 20 10 DECDRO CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685588 784540813 /nfs/dbraw/zinc/54/08/13/784540813.db2.gz VYFMXLVWYDICKV-BXUZGUMPSA-N 1 0 317.393 2.309 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@@H]2C)cc1C ZINC001169239324 785107691 /nfs/dbraw/zinc/10/76/91/785107691.db2.gz VONPCVHBFRUCMZ-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO C[NH+](C)CCCOc1ccc(NCc2ccc(O)c(O)c2)cn1 ZINC001169996948 785839524 /nfs/dbraw/zinc/83/95/24/785839524.db2.gz NSSUKFVZXOGBAQ-UHFFFAOYSA-N 1 0 317.389 2.435 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC(C)(F)F)cc1C ZINC001133430527 788417255 /nfs/dbraw/zinc/41/72/55/788417255.db2.gz WHFRQPLKBDVVJP-UHFFFAOYSA-N 1 0 300.349 2.255 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001135625173 789426660 /nfs/dbraw/zinc/42/66/60/789426660.db2.gz WWXAHJNVHZGTSG-LBPRGKRZSA-N 1 0 320.414 2.121 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3CCCOCC3)CC2)c(OC)c1 ZINC001170840827 789443723 /nfs/dbraw/zinc/44/37/23/789443723.db2.gz PNGHWNYLSIAZAI-OAHLLOKOSA-N 1 0 320.433 2.395 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)OC)[C@H]2C)cc1C ZINC001074553125 791229478 /nfs/dbraw/zinc/22/94/78/791229478.db2.gz STNUKWQTWJJFAL-DZKIICNBSA-N 1 0 320.433 2.118 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001148219044 791712037 /nfs/dbraw/zinc/71/20/37/791712037.db2.gz SVEUXYUBDNCVDO-UHFFFAOYSA-N 1 0 324.380 2.379 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(Cl)no2)cc1C ZINC001148648348 791781397 /nfs/dbraw/zinc/78/13/97/791781397.db2.gz HRKOPOJDZVCFEU-UHFFFAOYSA-N 1 0 323.780 2.165 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2Cc3cccc(F)c3C2)cc1O ZINC001171769995 793200395 /nfs/dbraw/zinc/20/03/95/793200395.db2.gz XHSJONVYDHWMOE-SJCJKPOMSA-N 1 0 303.333 2.027 20 10 DECDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001173632023 793788552 /nfs/dbraw/zinc/78/85/52/793788552.db2.gz XMGUMMPVXPVBEC-KGLIPLIRSA-N 1 0 307.390 2.352 20 10 DECDRO COCC[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176461729 794432831 /nfs/dbraw/zinc/43/28/31/794432831.db2.gz KRZNQKRMMWXUGW-CQSZACIVSA-N 1 0 322.449 2.272 20 10 DECDRO C[C@@H](CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001116762660 794984263 /nfs/dbraw/zinc/98/42/63/794984263.db2.gz WHCIIVVWYJWGBI-HNNXBMFYSA-N 1 0 319.449 2.029 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179683944 795161262 /nfs/dbraw/zinc/16/12/62/795161262.db2.gz GEDZCPVCPMTRMS-SOFGYWHQSA-N 1 0 318.417 2.444 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC001180305649 795270623 /nfs/dbraw/zinc/27/06/23/795270623.db2.gz NGLPHKXOCKUBAP-XYZCENFISA-N 1 0 320.252 2.320 20 10 DECDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1C[NH3+] ZINC001120494990 795472414 /nfs/dbraw/zinc/47/24/14/795472414.db2.gz DMRXZMKOFFKKMW-GXTWGEPZSA-N 1 0 322.428 2.018 20 10 DECDRO C[C@H](NC(=O)N[C@]12CCC[C@H]1C[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001120620270 795499384 /nfs/dbraw/zinc/49/93/84/795499384.db2.gz ZPWZQVVQLWMOSU-YEWWUXTCSA-N 1 0 316.449 2.255 20 10 DECDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(N(C)C)c(C)c3)C2)C1 ZINC001139670580 796107619 /nfs/dbraw/zinc/10/76/19/796107619.db2.gz DGGLOHALDJTBEM-UHFFFAOYSA-N 1 0 301.434 2.115 20 10 DECDRO Cc1c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c2ccccc2n1C ZINC001138252339 796188555 /nfs/dbraw/zinc/18/85/55/796188555.db2.gz CMTDVODIUMYOBQ-CQSZACIVSA-N 1 0 304.434 2.440 20 10 DECDRO CN1CC[C@@H]([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337030 796199413 /nfs/dbraw/zinc/19/94/13/796199413.db2.gz JBUJQPMBUIYQCS-MRXNPFEDSA-N 1 0 315.461 2.227 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001138386837 796208790 /nfs/dbraw/zinc/20/87/90/796208790.db2.gz XTLFHWJTBVWKQW-JKSUJKDBSA-N 1 0 310.413 2.446 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@](F)(CO)C2)c(OC)c1 ZINC001138386697 796209046 /nfs/dbraw/zinc/20/90/46/796209046.db2.gz TWIQVEDXPUDMIK-QGZVFWFLSA-N 1 0 310.413 2.448 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@H]1O ZINC001138496466 796227146 /nfs/dbraw/zinc/22/71/46/796227146.db2.gz QMRRABPIDYAAGH-CRAIPNDOSA-N 1 0 304.434 2.116 20 10 DECDRO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138501371 796228348 /nfs/dbraw/zinc/22/83/48/796228348.db2.gz RQANNIGWJSWWQC-AEFFLSMTSA-N 1 0 314.429 2.324 20 10 DECDRO CC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132934 796330332 /nfs/dbraw/zinc/33/03/32/796330332.db2.gz CRSODJANESRDCJ-LBPRGKRZSA-N 1 0 301.342 2.218 20 10 DECDRO COc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc(C[NH+](C)C)c1O ZINC001139254326 796350277 /nfs/dbraw/zinc/35/02/77/796350277.db2.gz GWGRTRLWQBXDGP-GASCZTMLSA-N 1 0 318.417 2.158 20 10 DECDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)(F)F ZINC001139404534 796370784 /nfs/dbraw/zinc/37/07/84/796370784.db2.gz NANFMBJZQRBWFR-UHFFFAOYSA-N 1 0 301.356 2.433 20 10 DECDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281600 796500046 /nfs/dbraw/zinc/50/00/46/796500046.db2.gz KXKDCWUTJDTWGU-UHFFFAOYSA-N 1 0 319.493 2.421 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@]1(C)O ZINC001140282695 796501593 /nfs/dbraw/zinc/50/15/93/796501593.db2.gz HQZSTLRKSAOORC-BEFAXECRSA-N 1 0 318.461 2.241 20 10 DECDRO Oc1cccc(Cl)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001140337799 796509306 /nfs/dbraw/zinc/50/93/06/796509306.db2.gz FQOZPVUQUIVLRT-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO Oc1cc(Cl)ccc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001140464946 796526360 /nfs/dbraw/zinc/52/63/60/796526360.db2.gz FOMOGUVWPCMBJD-IYBDPMFKSA-N 1 0 322.836 2.341 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660212 796552023 /nfs/dbraw/zinc/55/20/23/796552023.db2.gz JOGRVFNTHVFADQ-KSSFIOAISA-N 1 0 322.424 2.255 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660332 796552091 /nfs/dbraw/zinc/55/20/91/796552091.db2.gz OLXGUEKSAFPNLY-HNNXBMFYSA-N 1 0 322.424 2.257 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001140855647 796583962 /nfs/dbraw/zinc/58/39/62/796583962.db2.gz GZGDTHWBRRFVID-UHFFFAOYSA-N 1 0 307.438 2.149 20 10 DECDRO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001140949460 796605837 /nfs/dbraw/zinc/60/58/37/796605837.db2.gz CIMIDAZCLHJMIL-IYBDPMFKSA-N 1 0 310.401 2.059 20 10 DECDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140953521 796606135 /nfs/dbraw/zinc/60/61/35/796606135.db2.gz BBQHGQNYVWDLFC-INIZCTEOSA-N 1 0 320.433 2.160 20 10 DECDRO CN1CCOc2cc(CN3CCC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC001141142936 796638534 /nfs/dbraw/zinc/63/85/34/796638534.db2.gz HCZXNPGOYMVUNU-MRXNPFEDSA-N 1 0 301.434 2.185 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1O ZINC001150543762 796952298 /nfs/dbraw/zinc/95/22/98/796952298.db2.gz SKQMHDKWZYLNPN-OCCSQVGLSA-N 1 0 306.406 2.137 20 10 DECDRO COc1cc2c(c(OC)c1)N(CCN1CCOC[C@@H]1C)CCC2 ZINC001195181055 797845055 /nfs/dbraw/zinc/84/50/55/797845055.db2.gz VTZAPTVUHZUUMY-AWEZNQCLSA-N 1 0 320.433 2.177 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccnc4ccnn43)cc2)CC1 ZINC001156651354 798053536 /nfs/dbraw/zinc/05/35/36/798053536.db2.gz KWSIPWWUZMIDDB-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO COC(=O)c1ccc(N)c(N(C)c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001160019834 798639775 /nfs/dbraw/zinc/63/97/75/798639775.db2.gz NIWQLHHBTKQILW-UHFFFAOYSA-N 1 0 311.385 2.469 20 10 DECDRO CC(C)[C@]1(C(=O)N2CCc3cccc(O)c3C2)CCC[NH2+]C1 ZINC001160872360 798752579 /nfs/dbraw/zinc/75/25/79/798752579.db2.gz KPSRHRQKCVITTL-SFHVURJKSA-N 1 0 302.418 2.303 20 10 DECDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC001161161292 798803913 /nfs/dbraw/zinc/80/39/13/798803913.db2.gz QPVXAQXBIUSTPX-UHFFFAOYSA-N 1 0 311.429 2.402 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CO[C@@H](C)C2)cc1C ZINC001161331337 798829476 /nfs/dbraw/zinc/82/94/76/798829476.db2.gz KFDSJJIVRPGBMF-GOEBONIOSA-N 1 0 320.433 2.025 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000691402840 799522012 /nfs/dbraw/zinc/52/20/12/799522012.db2.gz MBBSCOOCOIAEJH-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO COc1cccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1O ZINC001203596578 800086876 /nfs/dbraw/zinc/08/68/76/800086876.db2.gz JKCUCCPAVRSWPW-UHFFFAOYSA-N 1 0 300.358 2.102 20 10 DECDRO CCN1CC2(CC1=O)CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203680920 800105352 /nfs/dbraw/zinc/10/53/52/800105352.db2.gz JOTSVMLTUMBUQK-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC001203931517 800147836 /nfs/dbraw/zinc/14/78/36/800147836.db2.gz ILULXOIFRCPTHI-CALCHBBNSA-N 1 0 323.444 2.111 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c2ccccc21 ZINC001204240253 800192506 /nfs/dbraw/zinc/19/25/06/800192506.db2.gz MJSLIIJSVQAJRU-MAUKXSAKSA-N 1 0 323.440 2.474 20 10 DECDRO Oc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(O)c1 ZINC001204273086 800197528 /nfs/dbraw/zinc/19/75/28/800197528.db2.gz XHHGPNVJNMMGCV-UHFFFAOYSA-N 1 0 313.401 2.201 20 10 DECDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278072 800199324 /nfs/dbraw/zinc/19/93/24/800199324.db2.gz SAZPXLOMTFQWNT-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001204327527 800205232 /nfs/dbraw/zinc/20/52/32/800205232.db2.gz XDWNXJAREPVSJG-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001204327528 800205627 /nfs/dbraw/zinc/20/56/27/800205627.db2.gz XDWNXJAREPVSJG-LJQANCHMSA-N 1 0 315.461 2.193 20 10 DECDRO CCOC(=O)c1c(CN2CC[C@](C)([NH3+])C2)c2ccccc2n1C ZINC001204801810 800258950 /nfs/dbraw/zinc/25/89/50/800258950.db2.gz VEOFHIJURVMYDJ-SFHVURJKSA-N 1 0 315.417 2.278 20 10 DECDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816276 800425883 /nfs/dbraw/zinc/42/58/83/800425883.db2.gz KYEJIMAZAMMOGY-YJBOKZPZSA-N 1 0 303.450 2.082 20 10 DECDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2Br)CC(F)(F)C1 ZINC001206131634 800477325 /nfs/dbraw/zinc/47/73/25/800477325.db2.gz HDARTXWOJHJESB-QMMMGPOBSA-N 1 0 321.165 2.323 20 10 DECDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(Br)ccc2O)C1 ZINC001206405157 800525936 /nfs/dbraw/zinc/52/59/36/800525936.db2.gz OUTNBRDYPAHBSA-MNOVXSKESA-N 1 0 303.175 2.026 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c1 ZINC001206444665 800533850 /nfs/dbraw/zinc/53/38/50/800533850.db2.gz KASUFMALEHEHNP-MNOVXSKESA-N 1 0 317.202 2.334 20 10 DECDRO CC(=O)N1CCC[C@@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001208972253 801105397 /nfs/dbraw/zinc/10/53/97/801105397.db2.gz CLLGMRFUDFLZQR-AWEZNQCLSA-N 1 0 318.417 2.105 20 10 DECDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231590263 801690997 /nfs/dbraw/zinc/69/09/97/801690997.db2.gz PEEUEXQCKJJGCM-UHFFFAOYSA-N 1 0 323.352 2.305 20 10 DECDRO COc1cc(C[N@H+](C(C)C)C2CCN(C)CC2)c(O)cc1O ZINC001231639999 801702323 /nfs/dbraw/zinc/70/23/23/801702323.db2.gz OCJHRTTYWPPZRM-UHFFFAOYSA-N 1 0 308.422 2.411 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCS1 ZINC001231851040 801737205 /nfs/dbraw/zinc/73/72/05/801737205.db2.gz YBROSIANKRBRJE-HNNXBMFYSA-N 1 0 309.431 2.490 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001231857417 801738430 /nfs/dbraw/zinc/73/84/30/801738430.db2.gz JNBMSFSAYRNVSI-INIZCTEOSA-N 1 0 315.421 2.190 20 10 DECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231854349 801739113 /nfs/dbraw/zinc/73/91/13/801739113.db2.gz FPODRBUJMJZBSG-HNNXBMFYSA-N 1 0 306.406 2.289 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)cc1Cl ZINC001231870464 801741997 /nfs/dbraw/zinc/74/19/97/801741997.db2.gz CUFCKKSMAWAPCV-UHFFFAOYSA-N 1 0 321.764 2.114 20 10 DECDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231911347 801748568 /nfs/dbraw/zinc/74/85/68/801748568.db2.gz KQZNWRKPOCUMRR-IMRBUKKESA-N 1 0 308.809 2.248 20 10 DECDRO COCC1C[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198604 801814464 /nfs/dbraw/zinc/81/44/64/801814464.db2.gz XSWQOSKWYDGYNK-UHFFFAOYSA-N 1 0 310.825 2.255 20 10 DECDRO Clc1cc(CN2CC[N@@H+]3CC[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199585 801814645 /nfs/dbraw/zinc/81/46/45/801814645.db2.gz DQSVSRNVMVTUHV-OAHLLOKOSA-N 1 0 321.852 2.067 20 10 DECDRO COc1cc(O)c(CN2C[C@H](CO)C[C@H](F)C2)cc1Cl ZINC001232266070 801833935 /nfs/dbraw/zinc/83/39/35/801833935.db2.gz IJDKZZZFIMMIAZ-KOLCDFICSA-N 1 0 303.761 2.207 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCC2OCCO2)cc1Cl ZINC001232269463 801835176 /nfs/dbraw/zinc/83/51/76/801835176.db2.gz BGRRZCMQRIJEGP-UHFFFAOYSA-N 1 0 301.770 2.249 20 10 DECDRO COC(=O)c1c(CN2CCC[N@H+](C)CC2)c2ccccc2n1C ZINC001232401723 801870338 /nfs/dbraw/zinc/87/03/38/801870338.db2.gz NSSQAEICSNFYEO-UHFFFAOYSA-N 1 0 315.417 2.102 20 10 DECDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839516 801969424 /nfs/dbraw/zinc/96/94/24/801969424.db2.gz PARORZPXJKCKKZ-UHFFFAOYSA-N 1 0 324.396 2.325 20 10 DECDRO CN(C)c1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001232840026 801969844 /nfs/dbraw/zinc/96/98/44/801969844.db2.gz KHPAWKLCOGQKGZ-UHFFFAOYSA-N 1 0 313.401 2.160 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)cc1Br ZINC001233135719 802033599 /nfs/dbraw/zinc/03/35/99/802033599.db2.gz YPEBRSYBKMSLPR-SNVBAGLBSA-N 1 0 316.195 2.120 20 10 DECDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001233452257 802120988 /nfs/dbraw/zinc/12/09/88/802120988.db2.gz PFNAUVGIVXQFID-CQSZACIVSA-N 1 0 317.307 2.402 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)cc1O ZINC001233484897 802126896 /nfs/dbraw/zinc/12/68/96/802126896.db2.gz BLQANROMBPFPRZ-CQSZACIVSA-N 1 0 316.357 2.242 20 10 DECDRO COC(=O)CC[N@H+](Cc1cc(O)c(O)cc1O)C1CCCC1 ZINC001233485180 802127449 /nfs/dbraw/zinc/12/74/49/802127449.db2.gz LZEOVNQNQZISCZ-UHFFFAOYSA-N 1 0 309.362 2.111 20 10 DECDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCC[NH2+]C3)cccc21 ZINC001218279778 802163400 /nfs/dbraw/zinc/16/34/00/802163400.db2.gz RPBLZGWMIOZRKX-NSHDSACASA-N 1 0 323.348 2.298 20 10 DECDRO CC[NH+]1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727682 802190442 /nfs/dbraw/zinc/19/04/42/802190442.db2.gz ODZSPTOUFKUGNH-UHFFFAOYSA-N 1 0 304.312 2.428 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cccc1OC(F)(F)F ZINC001233727761 802190615 /nfs/dbraw/zinc/19/06/15/802190615.db2.gz PHDWTIBLGQBANL-VHSXEESVSA-N 1 0 309.259 2.196 20 10 DECDRO C[N@H+](CCC1OCCO1)Cc1cccc(OC(F)(F)F)c1O ZINC001233761561 802200899 /nfs/dbraw/zinc/20/08/99/802200899.db2.gz VLDXAZUHPPIGNY-UHFFFAOYSA-N 1 0 321.295 2.486 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCOC[C@](C)(O)C3)c2c1 ZINC001234525416 802402196 /nfs/dbraw/zinc/40/21/96/802402196.db2.gz GQAMEZLROZDBAR-GOSISDBHSA-N 1 0 317.385 2.137 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCCC1 ZINC000315826890 802486882 /nfs/dbraw/zinc/48/68/82/802486882.db2.gz CUSYGKYNIKIGJO-UHFFFAOYSA-N 1 0 301.434 2.301 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222248288 802661188 /nfs/dbraw/zinc/66/11/88/802661188.db2.gz KKURILBDJJFVTG-GOSISDBHSA-N 1 0 303.450 2.479 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]2C1 ZINC001335226589 1150387254 /nfs/dbraw/zinc/38/72/54/1150387254.db2.gz JABYHVBZZSDVCM-SDDRHHMPSA-N 1 0 322.380 2.039 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593256292 994519676 /nfs/dbraw/zinc/51/96/76/994519676.db2.gz HEKPNVDLTMTDAY-NEPJUHHUSA-N 1 0 304.390 2.225 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC001462519551 1058841824 /nfs/dbraw/zinc/84/18/24/1058841824.db2.gz REXCUWOCMCZFKB-HNNXBMFYSA-N 1 0 321.417 2.385 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)cc1OC ZINC001472709816 1060572229 /nfs/dbraw/zinc/57/22/29/1060572229.db2.gz XOPLVQJSORQLCQ-LBPRGKRZSA-N 1 0 319.361 2.063 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC(=O)OCC ZINC001473424589 1060682382 /nfs/dbraw/zinc/68/23/82/1060682382.db2.gz NPJZSZLYBONSCD-OAHLLOKOSA-N 1 0 309.406 2.308 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C)CCN2C)c(Cl)c1 ZINC001474717166 1060921982 /nfs/dbraw/zinc/92/19/82/1060921982.db2.gz YDCTUXKLOJUCDI-SWLSCSKDSA-N 1 0 311.857 2.078 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001477443599 1061170239 /nfs/dbraw/zinc/17/02/39/1061170239.db2.gz NECOKNXSIZMGDF-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CCOCc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC ZINC001620696971 1078167410 /nfs/dbraw/zinc/16/74/10/1078167410.db2.gz 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ZINC001578882058 1067188864 /nfs/dbraw/zinc/18/88/64/1067188864.db2.gz BZIFXJPYCPKHGW-UHFFFAOYSA-N 1 0 317.414 2.341 20 10 DECDRO C[NH+](C)[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001637125971 1078504230 /nfs/dbraw/zinc/50/42/30/1078504230.db2.gz JMZCYFPJMNLACM-INIZCTEOSA-N 1 0 314.385 2.407 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001579616622 1067385890 /nfs/dbraw/zinc/38/58/90/1067385890.db2.gz CHUQCYIKJPXWIB-KSSFIOAISA-N 1 0 318.465 2.043 20 10 DECDRO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC001580264274 1067546800 /nfs/dbraw/zinc/54/68/00/1067546800.db2.gz KRHBUFOANNAJDX-VBROQKIQSA-N 1 0 309.369 2.280 20 10 DECDRO [NH3+]CC[C@@H](NCc1ccc(Br)cc1O)C(F)F ZINC001580284597 1067551142 /nfs/dbraw/zinc/55/11/42/1067551142.db2.gz KVMPWESZOLYRFQ-SECBINFHSA-N 1 0 309.154 2.227 20 10 DECDRO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccccc1O ZINC001644182976 1078833876 /nfs/dbraw/zinc/83/38/76/1078833876.db2.gz DGEOLIBLVAWPJT-LBPRGKRZSA-N 1 0 313.357 2.391 20 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O=C1N[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)CO1 ZINC001660806795 1080400469 /nfs/dbraw/zinc/40/04/69/1080400469.db2.gz MYQXTDJGCRSIHR-CYBMUJFWSA-N 1 0 310.781 2.366 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC001661183474 1080452146 /nfs/dbraw/zinc/45/21/46/1080452146.db2.gz BDBNAIVJMXCFQJ-HNNXBMFYSA-N 1 0 312.417 2.472 20 10 DECDRO CC[C@H](CNC(=O)c1ccon1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481793706 1080505760 /nfs/dbraw/zinc/50/57/60/1080505760.db2.gz HMKYWTWLADKIGN-CQSZACIVSA-N 1 0 317.389 2.290 20 10 DECDRO CC[C@@H](CNC(=O)c1ccon1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481793705 1080505909 /nfs/dbraw/zinc/50/59/09/1080505909.db2.gz HMKYWTWLADKIGN-AWEZNQCLSA-N 1 0 317.389 2.290 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC001662084084 1080567184 /nfs/dbraw/zinc/56/71/84/1080567184.db2.gz WHLUFNVPJNYMEF-SJLPKXTDSA-N 1 0 304.434 2.164 20 10 DECDRO Cc1ccnc(NC(=O)CN(C)Cc2cc(F)c(F)cc2O)c1 ZINC001665236847 1081003403 /nfs/dbraw/zinc/00/34/03/1081003403.db2.gz AFWFDCRARCFTIJ-UHFFFAOYSA-N 1 0 321.327 2.444 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(F)F)cc1C ZINC001669229040 1081439710 /nfs/dbraw/zinc/43/97/10/1081439710.db2.gz GEOPIGFDJGXTOH-LLVKDONJSA-N 1 0 300.349 2.253 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccon2)cc1C ZINC001270365875 1081510423 /nfs/dbraw/zinc/51/04/23/1081510423.db2.gz VMXVIYWKHNEZNO-LBPRGKRZSA-N 1 0 317.389 2.147 20 10 DECDRO CN(CCC[NH2+]CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001670361997 1081996708 /nfs/dbraw/zinc/99/67/08/1081996708.db2.gz XOGQVRXPAFQTOX-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO Oc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc(O)c1O ZINC001276832780 1083638669 /nfs/dbraw/zinc/63/86/69/1083638669.db2.gz CIUWXVBFJRBZII-GASCZTMLSA-N 1 0 318.417 2.395 20 10 DECDRO COc1ccc(N2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1F ZINC001277010551 1083730599 /nfs/dbraw/zinc/73/05/99/1083730599.db2.gz TUKPFCFTWYVWED-UHFFFAOYSA-N 1 0 321.440 2.298 20 10 DECDRO CN(C)c1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001234980619 1084259556 /nfs/dbraw/zinc/25/95/56/1084259556.db2.gz HCAIXINLWQRTMU-FQEVSTJZSA-N 1 0 324.472 2.043 20 10 DECDRO Oc1cccc(Br)c1CN1CCCCC12C[NH2+]C2 ZINC001235103399 1084313280 /nfs/dbraw/zinc/31/32/80/1084313280.db2.gz YKRXSFATDMLZDH-UHFFFAOYSA-N 1 0 311.223 2.483 20 10 DECDRO Cn1ncc(Br)c1C[NH2+]Cc1cc(F)ccc1O ZINC000693501144 1084477739 /nfs/dbraw/zinc/47/77/39/1084477739.db2.gz ZGUNNLZVKXRKCZ-UHFFFAOYSA-N 1 0 314.158 2.317 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235681111 1084495596 /nfs/dbraw/zinc/49/55/96/1084495596.db2.gz YFSRMLNBTQWDTH-MRXNPFEDSA-N 1 0 306.450 2.452 20 10 DECDRO CC(C)(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)c1 ZINC001235681986 1084497584 /nfs/dbraw/zinc/49/75/84/1084497584.db2.gz TZBSJZOPXVCNMU-UHFFFAOYSA-N 1 0 317.433 2.337 20 10 DECDRO CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[NH2+]1 ZINC001235730153 1084513524 /nfs/dbraw/zinc/51/35/24/1084513524.db2.gz JUQCNHWGLZGLIY-HNNXBMFYSA-N 1 0 323.868 2.360 20 10 DECDRO COc1cc(CN2CC[NH2+][C@@H](CC(C)C)C2)c(O)c(OC)c1 ZINC001235884725 1084558038 /nfs/dbraw/zinc/55/80/38/1084558038.db2.gz MMVIYKXPFMKGOM-AWEZNQCLSA-N 1 0 308.422 2.229 20 10 DECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001235991385 1084582318 /nfs/dbraw/zinc/58/23/18/1084582318.db2.gz PDCARJGODQKENY-PBHICJAKSA-N 1 0 321.852 2.100 20 10 DECDRO CCCC[C@H]1CN(Cc2cc(OC)cc(OC)c2O)CC[NH2+]1 ZINC001236140789 1084620515 /nfs/dbraw/zinc/62/05/15/1084620515.db2.gz GWCHDKYJQBSJOS-AWEZNQCLSA-N 1 0 308.422 2.373 20 10 DECDRO CC(C)(C)c1cccc(C[NH+]2CCC(NC(N)=O)CC2)c1O ZINC001143103573 1085692044 /nfs/dbraw/zinc/69/20/44/1085692044.db2.gz FTHALNATPOYGNZ-UHFFFAOYSA-N 1 0 305.422 2.322 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c(O)c1 ZINC001626080177 1085987575 /nfs/dbraw/zinc/98/75/75/1085987575.db2.gz ZOBSXUXMMOQMPA-CQSZACIVSA-N 1 0 306.406 2.137 20 10 DECDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001273163569 1087112522 /nfs/dbraw/zinc/11/25/22/1087112522.db2.gz OAJYAXPZAHAIRG-MRXNPFEDSA-N 1 0 322.792 2.017 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001273164439 1087115689 /nfs/dbraw/zinc/11/56/89/1087115689.db2.gz VRIHZKHZVRPQEY-ZDUSSCGKSA-N 1 0 308.809 2.394 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](OC)C(C)C)cc1C ZINC001274906702 1091471864 /nfs/dbraw/zinc/47/18/64/1091471864.db2.gz KVRKXWAZRCYNLK-PBHICJAKSA-N 1 0 322.449 2.269 20 10 DECDRO Oc1cc(O)c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001275112452 1091559640 /nfs/dbraw/zinc/55/96/40/1091559640.db2.gz DYBWZCJTBZXSLM-BLLLJJGKSA-N 1 0 318.417 2.252 20 10 DECDRO COc1ccc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c(O)c1 ZINC001275276079 1091647426 /nfs/dbraw/zinc/64/74/26/1091647426.db2.gz USZKMIFTCQMGBJ-UHFFFAOYSA-N 1 0 302.418 2.461 20 10 DECDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc[nH]2)cc1C ZINC001273844098 1092305546 /nfs/dbraw/zinc/30/55/46/1092305546.db2.gz VOKMNMIKBXYPDX-ONEGZZNKSA-N 1 0 313.401 2.408 20 10 DECDRO C[N@@H+]1CCC2(CN(Cc3c(O)cccc3Br)C2)C1 ZINC001275948370 1092365082 /nfs/dbraw/zinc/36/50/82/1092365082.db2.gz ZYWREMJJUYHFEN-UHFFFAOYSA-N 1 0 311.223 2.292 20 10 DECDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3C3CC3)C2=O)cc1 ZINC001274022657 1093769063 /nfs/dbraw/zinc/76/90/63/1093769063.db2.gz KFLJGTJELMTVMY-IBGZPJMESA-N 1 0 313.445 2.482 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001274123153 1093808412 /nfs/dbraw/zinc/80/84/12/1093808412.db2.gz YJBFUDKEFPVOBE-MRXNPFEDSA-N 1 0 324.808 2.108 20 10 DECDRO Cc1cc(CN2CC(N3CC[NH2+]CC3)C2)c(C)n1-c1ccccc1 ZINC001236158715 1138334805 /nfs/dbraw/zinc/33/48/05/1138334805.db2.gz BSFCKXZVCZZPDJ-UHFFFAOYSA-N 1 0 324.472 2.184 20 10 DECDRO CC(C)c1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c(O)c1 ZINC001236167311 1138336435 /nfs/dbraw/zinc/33/64/35/1138336435.db2.gz XIFJHIAENNGWHM-KRWDZBQOSA-N 1 0 304.434 2.204 20 10 DECDRO CC(C)[N@H+](CCCO)Cc1cc(O)c(Br)cc1O ZINC001236776209 1138424749 /nfs/dbraw/zinc/42/47/49/1138424749.db2.gz VEKJEWOSPTZNRZ-UHFFFAOYSA-N 1 0 318.211 2.453 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)c1 ZINC001236786368 1138427275 /nfs/dbraw/zinc/42/72/75/1138427275.db2.gz AQTFPCWEUMPMGS-UHFFFAOYSA-N 1 0 304.390 2.419 20 10 DECDRO COCC[NH+](CCOC)Cc1c(O)cc(OC)cc1Cl ZINC001236802179 1138432688 /nfs/dbraw/zinc/43/26/88/1138432688.db2.gz HBYNEMPMTHFQKA-UHFFFAOYSA-N 1 0 303.786 2.149 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CC12CC2 ZINC001236812632 1138436729 /nfs/dbraw/zinc/43/67/29/1138436729.db2.gz CPBSLXZJGBDQEW-AWEZNQCLSA-N 1 0 305.374 2.094 20 10 DECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236810495 1138437264 /nfs/dbraw/zinc/43/72/64/1138437264.db2.gz IBVZXYDOJLGUOQ-OLZOCXBDSA-N 1 0 307.390 2.483 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CC12CC2 ZINC001236812633 1138437829 /nfs/dbraw/zinc/43/78/29/1138437829.db2.gz CPBSLXZJGBDQEW-CQSZACIVSA-N 1 0 305.374 2.094 20 10 DECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236925848 1138458414 /nfs/dbraw/zinc/45/84/14/1138458414.db2.gz YMYXHRFYPYRZLF-IUODEOHRSA-N 1 0 310.825 2.132 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)C3)c(F)c2)CC1 ZINC001236932542 1138460706 /nfs/dbraw/zinc/46/07/06/1138460706.db2.gz RMASXHJHYZXBGZ-UHFFFAOYSA-N 1 0 313.367 2.419 20 10 DECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1O ZINC001237119682 1138507691 /nfs/dbraw/zinc/50/76/91/1138507691.db2.gz JUWKFSLZTBYUPA-MWLCHTKSSA-N 1 0 305.296 2.494 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001237124519 1138509017 /nfs/dbraw/zinc/50/90/17/1138509017.db2.gz CETLOIRLYYJRKO-JTQLQIEISA-N 1 0 302.296 2.181 20 10 DECDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cccc(-c2ccccc2)c1O ZINC001237173180 1138512732 /nfs/dbraw/zinc/51/27/32/1138512732.db2.gz MXEODYVHZQZRFE-ROUUACIJSA-N 1 0 312.413 2.478 20 10 DECDRO CC1CC([N@H+](C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237204021 1138529451 /nfs/dbraw/zinc/52/94/51/1138529451.db2.gz XJIZLEZVKNPBDB-UHFFFAOYSA-N 1 0 322.474 2.152 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001237488405 1138655660 /nfs/dbraw/zinc/65/56/60/1138655660.db2.gz WXBZUQJWQHRACE-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO COc1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)c(OC)c1 ZINC001237677701 1138753373 /nfs/dbraw/zinc/75/33/73/1138753373.db2.gz HFADJMROSYTARV-PYHGIMPFSA-N 1 0 305.374 2.019 20 10 DECDRO O=C(NCC(F)F)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2 ZINC001278291223 1139014730 /nfs/dbraw/zinc/01/47/30/1139014730.db2.gz YNIHOZSBRKHVOY-UHFFFAOYSA-N 1 0 322.355 2.015 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2F)CC1 ZINC001320170484 1140833542 /nfs/dbraw/zinc/83/35/42/1140833542.db2.gz DLEDJGRRUZZJSX-OAHLLOKOSA-N 1 0 321.440 2.094 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1O ZINC001320713630 1140897495 /nfs/dbraw/zinc/89/74/95/1140897495.db2.gz YWCSORMRIWBDNY-GXSJLCMTSA-N 1 0 304.312 2.500 20 10 DECDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)c(C)c1 ZINC001246933898 1141140819 /nfs/dbraw/zinc/14/08/19/1141140819.db2.gz LABLABAFXZZCOC-HOTGVXAUSA-N 1 0 303.450 2.266 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(O)CC[NH2+]C3)n2)cc1 ZINC001248740314 1141811929 /nfs/dbraw/zinc/81/19/29/1141811929.db2.gz MELXVKJXPKZSSL-GOSISDBHSA-N 1 0 324.384 2.325 20 10 DECDRO COC[C@@H]1COCCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249259364 1141865336 /nfs/dbraw/zinc/86/53/36/1141865336.db2.gz UTDQWJFTYKKRQY-CQSZACIVSA-N 1 0 319.401 2.424 20 10 DECDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336286177 1142395819 /nfs/dbraw/zinc/39/58/19/1142395819.db2.gz NXZKRHSCTZLKJL-UHFFFAOYSA-N 1 0 309.413 2.288 20 10 DECDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001252697798 1142809170 /nfs/dbraw/zinc/80/91/70/1142809170.db2.gz BLEDIPGSNNGZJH-LBPRGKRZSA-N 1 0 318.211 2.030 20 10 DECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccco1 ZINC001252640903 1142801287 /nfs/dbraw/zinc/80/12/87/1142801287.db2.gz XZFGTRWXORFJKY-OAHLLOKOSA-N 1 0 305.374 2.385 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccsc1 ZINC001338448721 1142856794 /nfs/dbraw/zinc/85/67/94/1142856794.db2.gz RJVBKDIIMADYDE-HNNXBMFYSA-N 1 0 318.446 2.432 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccsc1 ZINC001338448723 1142857036 /nfs/dbraw/zinc/85/70/36/1142857036.db2.gz RJVBKDIIMADYDE-OAHLLOKOSA-N 1 0 318.446 2.432 20 10 DECDRO CCOC(=O)CN1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001254397015 1143104156 /nfs/dbraw/zinc/10/41/56/1143104156.db2.gz DVJXMCQENZSZRQ-UHFFFAOYSA-N 1 0 320.433 2.121 20 10 DECDRO COCCOc1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC001255044243 1143393453 /nfs/dbraw/zinc/39/34/53/1143393453.db2.gz OYDCMUOZNACDHF-UHFFFAOYSA-N 1 0 320.433 2.013 20 10 DECDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351573 1143588572 /nfs/dbraw/zinc/58/85/72/1143588572.db2.gz SZIKNGCTMLIBHK-ZQIUZPCESA-N 1 0 319.449 2.154 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CCOC3CCC3)cc2F)CC1 ZINC001341802849 1143711529 /nfs/dbraw/zinc/71/15/29/1143711529.db2.gz PRRAVQYVRWQWJO-UHFFFAOYSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001255856790 1143811082 /nfs/dbraw/zinc/81/10/82/1143811082.db2.gz XIOKUIKSSMQLMY-PIGZYNQJSA-N 1 0 305.349 2.491 20 10 DECDRO CCOc1ncccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001262364907 1144309516 /nfs/dbraw/zinc/30/95/16/1144309516.db2.gz MDSQRLXBTSQFIO-UHFFFAOYSA-N 1 0 318.373 2.493 20 10 DECDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001292011582 1146849259 /nfs/dbraw/zinc/84/92/59/1146849259.db2.gz VESOTGSVSPGWNS-MGPQQGTHSA-N 1 0 320.433 2.123 20 10 DECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001308571189 1147480441 /nfs/dbraw/zinc/48/04/41/1147480441.db2.gz RZWOBIDKQXDKEI-ZDUSSCGKSA-N 1 0 322.405 2.420 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC001308673900 1147483332 /nfs/dbraw/zinc/48/33/32/1147483332.db2.gz FEAADQMOKOSSEB-CQSZACIVSA-N 1 0 318.417 2.424 20 10 DECDRO O=C1COc2ccccc2N1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001324848053 1147852448 /nfs/dbraw/zinc/85/24/48/1147852448.db2.gz LXZVAYBVRQIHFO-CQSZACIVSA-N 1 0 324.380 2.395 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC001325368661 1147896965 /nfs/dbraw/zinc/89/69/65/1147896965.db2.gz AAGPWRNXZNBMNC-UHFFFAOYSA-N 1 0 318.465 2.327 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCS(=O)(=O)C1CC1 ZINC001325580376 1147954739 /nfs/dbraw/zinc/95/47/39/1147954739.db2.gz BHRDGJDUBGAUAU-WCQYABFASA-N 1 0 309.431 2.416 20 10 DECDRO CC[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]C1 ZINC001326053131 1148035637 /nfs/dbraw/zinc/03/56/37/1148035637.db2.gz ZJKNBSRULCIMSK-GOSISDBHSA-N 1 0 302.418 2.277 20 10 DECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326375210 1148087516 /nfs/dbraw/zinc/08/75/16/1148087516.db2.gz GJQXFHUEKNTWBG-PBHICJAKSA-N 1 0 321.440 2.092 20 10 DECDRO CNC(=O)C(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000378440669 529840010 /nfs/dbraw/zinc/84/00/10/529840010.db2.gz DDMDXCYXMASRCJ-UHFFFAOYSA-N 1 0 319.449 2.026 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)cc1 ZINC000093361289 193237540 /nfs/dbraw/zinc/23/75/40/193237540.db2.gz BQERXDUBUJGGTQ-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(OC)ccc1O)C2 ZINC000374682869 533639728 /nfs/dbraw/zinc/63/97/28/533639728.db2.gz MVYCXMLRUONUOR-GUYCJALGSA-N 1 0 305.374 2.176 20 10 DECDRO CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273552499 130135618 /nfs/dbraw/zinc/13/56/18/130135618.db2.gz GDRZXWBOBSXSAJ-SECBINFHSA-N 1 0 315.211 2.332 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1 ZINC000273582558 130140034 /nfs/dbraw/zinc/14/00/34/130140034.db2.gz NBHIOGTUZMWPER-SGMGOOAPSA-N 1 0 323.389 2.023 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1 ZINC000273598761 130141646 /nfs/dbraw/zinc/14/16/46/130141646.db2.gz ROVAIKPSJGADPG-WBMJQRKESA-N 1 0 310.463 2.489 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285524991 131177926 /nfs/dbraw/zinc/17/79/26/131177926.db2.gz BJUCVDVYJXIZGO-CJNGLKHVSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292164669 131629247 /nfs/dbraw/zinc/62/92/47/131629247.db2.gz VJZIUMGHJRRIHC-ZDUSSCGKSA-N 1 0 303.406 2.010 20 10 DECDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000134868348 401917321 /nfs/dbraw/zinc/91/73/21/401917321.db2.gz VLMBBXBBSGBJQE-PWJLMRLQSA-N 1 0 306.225 2.011 20 10 DECDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151547009 402042508 /nfs/dbraw/zinc/04/25/08/402042508.db2.gz WTIADLXCEPDDSA-CYBMUJFWSA-N 1 0 310.413 2.301 20 10 DECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000152462066 402096812 /nfs/dbraw/zinc/09/68/12/402096812.db2.gz SGNSKCFUMNACLD-QPUJVOFHSA-N 1 0 320.252 2.357 20 10 DECDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000125387160 402229522 /nfs/dbraw/zinc/22/95/22/402229522.db2.gz CVOLCCUIFXZACP-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c[nH]1 ZINC000155178944 402247658 /nfs/dbraw/zinc/24/76/58/402247658.db2.gz BICHREMGLSPVDU-UHFFFAOYSA-N 1 0 301.390 2.499 20 10 DECDRO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(OC)c1O ZINC000184683160 402291640 /nfs/dbraw/zinc/29/16/40/402291640.db2.gz PQNWPIMNOBRDEO-UHFFFAOYSA-N 1 0 300.786 2.012 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1 ZINC000186027768 402396872 /nfs/dbraw/zinc/39/68/72/402396872.db2.gz VPQBPSINVULHOL-LLVKDONJSA-N 1 0 315.435 2.265 20 10 DECDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000186595551 402446140 /nfs/dbraw/zinc/44/61/40/402446140.db2.gz HNWWDDGTBMZFTC-ZDUSSCGKSA-N 1 0 311.857 2.161 20 10 DECDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(F)ccc1O ZINC000186859629 402468064 /nfs/dbraw/zinc/46/80/64/402468064.db2.gz LJYMDHCZVFZXHE-LLVKDONJSA-N 1 0 303.399 2.397 20 10 DECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000166499568 402484997 /nfs/dbraw/zinc/48/49/97/402484997.db2.gz QXIDYIVURCKNQR-HNNXBMFYSA-N 1 0 323.440 2.374 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000187677760 402507709 /nfs/dbraw/zinc/50/77/09/402507709.db2.gz PYRYEFXLAQBHRA-ZLIFDBKOSA-N 1 0 322.424 2.472 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1 ZINC000174637090 402749661 /nfs/dbraw/zinc/74/96/61/402749661.db2.gz HBGYDTPDFVZRLV-UHFFFAOYSA-N 1 0 315.435 2.094 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183620979 402782596 /nfs/dbraw/zinc/78/25/96/402782596.db2.gz PUHWADRYFJCZCL-CYBMUJFWSA-N 1 0 306.406 2.070 20 10 DECDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C)cc1O ZINC000280089866 402966936 /nfs/dbraw/zinc/96/69/36/402966936.db2.gz MHKVRCVOHCFWMN-AWEZNQCLSA-N 1 0 306.406 2.023 20 10 DECDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889991 403120846 /nfs/dbraw/zinc/12/08/46/403120846.db2.gz JPKHKRGQITUVDJ-HIFRSBDPSA-N 1 0 310.413 2.474 20 10 DECDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000283017482 403165264 /nfs/dbraw/zinc/16/52/64/403165264.db2.gz PDIBUKKEBOFMTJ-LBPRGKRZSA-N 1 0 301.346 2.022 20 10 DECDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000276413113 403172569 /nfs/dbraw/zinc/17/25/69/403172569.db2.gz IHVUVXLGAFQDON-VQHVLOKHSA-N 1 0 318.417 2.445 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c(O)c1 ZINC000282649543 403157905 /nfs/dbraw/zinc/15/79/05/403157905.db2.gz HSXZOSCZFQECCX-INIZCTEOSA-N 1 0 318.417 2.472 20 10 DECDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000270332928 403180733 /nfs/dbraw/zinc/18/07/33/403180733.db2.gz LYUKRNZJWHPTJR-INIZCTEOSA-N 1 0 301.434 2.293 20 10 DECDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCC(C)CC1 ZINC000276627930 403192091 /nfs/dbraw/zinc/19/20/91/403192091.db2.gz VSIKPMOPZCUWED-LLVKDONJSA-N 1 0 310.369 2.087 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1cccs1 ZINC000276710259 403192795 /nfs/dbraw/zinc/19/27/95/403192795.db2.gz RBRFOOBNKXUSFY-SNVBAGLBSA-N 1 0 324.377 2.331 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c1 ZINC000276797617 403194412 /nfs/dbraw/zinc/19/44/12/403194412.db2.gz MAPCTJMPMZFCQL-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000271080373 403261843 /nfs/dbraw/zinc/26/18/43/403261843.db2.gz INJXTAFKYDSRIA-SECBINFHSA-N 1 0 314.179 2.150 20 10 DECDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000271184850 403275087 /nfs/dbraw/zinc/27/50/87/403275087.db2.gz MLHSYUKBJGEDAY-UHFFFAOYSA-N 1 0 309.362 2.285 20 10 DECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OCC)ccc1O ZINC000292749173 403376406 /nfs/dbraw/zinc/37/64/06/403376406.db2.gz RDCBSIWVNMXMET-ZDUSSCGKSA-N 1 0 308.422 2.433 20 10 DECDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000298760240 403458817 /nfs/dbraw/zinc/45/88/17/403458817.db2.gz UASHRDUUDHRQFB-UHFFFAOYSA-N 1 0 312.417 2.313 20 10 DECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOCC1 ZINC000293827887 403574903 /nfs/dbraw/zinc/57/49/03/403574903.db2.gz PLOJUUDUJMXUHY-UHFFFAOYSA-N 1 0 320.433 2.263 20 10 DECDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC000293852589 403580867 /nfs/dbraw/zinc/58/08/67/403580867.db2.gz DEAKQQYSNURJGK-JXTAAOLFSA-N 1 0 316.401 2.055 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](CO)c1ccccc1 ZINC000295094891 403758418 /nfs/dbraw/zinc/75/84/18/403758418.db2.gz SABALOMHRNUABS-CQSZACIVSA-N 1 0 301.342 2.286 20 10 DECDRO COC(=O)CCCCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000289944998 404011216 /nfs/dbraw/zinc/01/12/16/404011216.db2.gz XKQZBSCMQVHPDI-UHFFFAOYSA-N 1 0 311.378 2.232 20 10 DECDRO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@@H+](C2CC2)C1 ZINC000296098491 404092820 /nfs/dbraw/zinc/09/28/20/404092820.db2.gz RRGRJLSBXZVKKK-LBPRGKRZSA-N 1 0 304.390 2.037 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559459 404219626 /nfs/dbraw/zinc/21/96/26/404219626.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 1 0 308.422 2.181 20 10 DECDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)C(F)(F)F ZINC000291481157 404395752 /nfs/dbraw/zinc/39/57/52/404395752.db2.gz 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Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180163271 527454424 /nfs/dbraw/zinc/45/44/24/527454424.db2.gz SHHQGOKTLWOSNM-INIZCTEOSA-N 1 0 319.380 2.210 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000295315810 535184151 /nfs/dbraw/zinc/18/41/51/535184151.db2.gz YRKITHNXIPGAQU-GOEBONIOSA-N 1 0 320.433 2.288 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000272510055 535524838 /nfs/dbraw/zinc/52/48/38/535524838.db2.gz XEUCFJSCGIWYNV-QGZVFWFLSA-N 1 0 323.412 2.000 20 10 DECDRO CC(C)N1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835039621 649870293 /nfs/dbraw/zinc/87/02/93/649870293.db2.gz HXIZABWGQFJSAW-KJPDOMRESA-N 1 0 301.434 2.365 20 10 DECDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000835039141 649870350 /nfs/dbraw/zinc/87/03/50/649870350.db2.gz BLAWOFLDAHDDQA-CHYADLBTSA-N 1 0 317.477 2.324 20 10 DECDRO COC(=O)C[C@@]1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835046614 649871501 /nfs/dbraw/zinc/87/15/01/649871501.db2.gz 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COc1ccc(C[NH2+]CCCCn2ccnc2C)c(O)c1OC ZINC000893027965 625063737 /nfs/dbraw/zinc/06/37/37/625063737.db2.gz AWKDDNIJZSOQAI-UHFFFAOYSA-N 1 0 319.405 2.484 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892475676 625822724 /nfs/dbraw/zinc/82/27/24/625822724.db2.gz KWRJBKNUHUGFEC-JKSUJKDBSA-N 1 0 308.397 2.476 20 10 DECDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009678910 633824445 /nfs/dbraw/zinc/82/44/45/633824445.db2.gz ZTDPFDRATRRDRY-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO COC(=O)COc1ccc(N(C)CC2CC[NH+](C)CC2)cc1 ZINC000893535273 634216659 /nfs/dbraw/zinc/21/66/59/634216659.db2.gz UXBUXSRGKIPZME-UHFFFAOYSA-N 1 0 306.406 2.016 20 10 DECDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C(F)F)C2)cc1C ZINC000998335006 634217728 /nfs/dbraw/zinc/21/77/28/634217728.db2.gz JHWJJHZFJRTKFX-UHFFFAOYSA-N 1 0 312.360 2.348 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC000998351817 634229290 /nfs/dbraw/zinc/22/92/90/634229290.db2.gz KSDDZNTWUWWLEQ-MRXNPFEDSA-N 1 0 302.418 2.494 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000840941720 634993300 /nfs/dbraw/zinc/99/33/00/634993300.db2.gz IYPDHDMXXWQSPN-XIRDDKMYSA-N 1 0 301.434 2.147 20 10 DECDRO CCOc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(O)c1 ZINC000840960486 635778599 /nfs/dbraw/zinc/77/85/99/635778599.db2.gz OLXLZMROHFQLLP-UHFFFAOYSA-N 1 0 315.435 2.094 20 10 DECDRO Cc1ncoc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000894195341 636403192 /nfs/dbraw/zinc/40/31/92/636403192.db2.gz YHWUDZPYFVWOCL-UHFFFAOYSA-N 1 0 305.353 2.249 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccccc2)c1O ZINC000894205968 636423836 /nfs/dbraw/zinc/42/38/36/636423836.db2.gz CMQURRDDVJMVKG-UHFFFAOYSA-N 1 0 314.385 2.229 20 10 DECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000186588262 636439117 /nfs/dbraw/zinc/43/91/17/636439117.db2.gz DYWHRJDJWIAINY-PBHICJAKSA-N 1 0 309.406 2.057 20 10 DECDRO CC[N@H+](CCNC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000726609060 636446693 /nfs/dbraw/zinc/44/66/93/636446693.db2.gz UYHSKSJJSLYHLM-UHFFFAOYSA-N 1 0 306.454 2.282 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000186803097 636567163 /nfs/dbraw/zinc/56/71/63/636567163.db2.gz MPIMNCOJFPBJMU-ZTFGCOKTSA-N 1 0 304.434 2.477 20 10 DECDRO O=C(NCCCSc1nccs1)N[C@@H]1CCC[NH2+]CC1 ZINC000841855960 636840714 /nfs/dbraw/zinc/84/07/14/636840714.db2.gz DLXPYMQMQLEVQJ-LLVKDONJSA-N 1 0 314.480 2.067 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000894331238 636867717 /nfs/dbraw/zinc/86/77/17/636867717.db2.gz FZNWRZLBRQNKMJ-UHFFFAOYSA-N 1 0 311.813 2.329 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000922999050 636905469 /nfs/dbraw/zinc/90/54/69/636905469.db2.gz OAWZYSNTZPVYIP-OAHLLOKOSA-N 1 0 313.449 2.308 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c1O ZINC000894358651 636938140 /nfs/dbraw/zinc/93/81/40/636938140.db2.gz ICOJYAFWWCDEMA-HNNXBMFYSA-N 1 0 313.401 2.473 20 10 DECDRO O=C1N=NCN1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000894608894 637124018 /nfs/dbraw/zinc/12/40/18/637124018.db2.gz FIGNZOHMDZKRJH-UHFFFAOYSA-N 1 0 308.769 2.180 20 10 DECDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000838028615 637384347 /nfs/dbraw/zinc/38/43/47/637384347.db2.gz ASCKFOXFMSAAFA-CQSZACIVSA-N 1 0 322.428 2.127 20 10 DECDRO COC(=O)c1c(C[N@H+](C)[C@H](C)CCO)c2cc(F)ccc2n1C ZINC000895149600 637670648 /nfs/dbraw/zinc/67/06/48/637670648.db2.gz MCEGXCBUEFFTMH-LLVKDONJSA-N 1 0 322.380 2.307 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)ccnc3N)C2)cc1 ZINC000895228216 637807799 /nfs/dbraw/zinc/80/77/99/637807799.db2.gz KLKOLDCZNIUOQS-AWEZNQCLSA-N 1 0 312.417 2.349 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839182422 637812057 /nfs/dbraw/zinc/81/20/57/637812057.db2.gz OTBZFNJRMPZWIY-UHFFFAOYSA-N 1 0 317.838 2.402 20 10 DECDRO Fc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1N1CCOCC1 ZINC000839192990 637815477 /nfs/dbraw/zinc/81/54/77/637815477.db2.gz RPZZLFVZMYRWDZ-KBPBESRZSA-N 1 0 308.422 2.352 20 10 DECDRO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000839499477 637897511 /nfs/dbraw/zinc/89/75/11/637897511.db2.gz VVPCZBNWJAPGRG-HUUCEWRRSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H]3COC(C)(C)O3)C2)cc1 ZINC000895311216 637913551 /nfs/dbraw/zinc/91/35/51/637913551.db2.gz WBMCITZYOYMFOF-CJNGLKHVSA-N 1 0 306.406 2.015 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000895332711 637936365 /nfs/dbraw/zinc/93/63/65/637936365.db2.gz OAUMHJBCNUJLKE-CYBMUJFWSA-N 1 0 320.433 2.446 20 10 DECDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741140382 637942998 /nfs/dbraw/zinc/94/29/98/637942998.db2.gz QDBSDIGOPNXNCV-BETUJISGSA-N 1 0 307.413 2.381 20 10 DECDRO Cc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000895342499 637948800 /nfs/dbraw/zinc/94/88/00/637948800.db2.gz GDITZBJXOWJSFA-OAHLLOKOSA-N 1 0 303.406 2.080 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000895404828 638004948 /nfs/dbraw/zinc/00/49/48/638004948.db2.gz HMJRQRFSSDXOFP-HKZYLEAXSA-N 1 0 309.431 2.195 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1O ZINC000895404415 638014739 /nfs/dbraw/zinc/01/47/39/638014739.db2.gz FUSSSAFRENYOTQ-UHFFFAOYSA-N 1 0 320.433 2.447 20 10 DECDRO C[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895522848 638072596 /nfs/dbraw/zinc/07/25/96/638072596.db2.gz YAJRTZJAQQZJKV-UHFFFAOYSA-N 1 0 306.387 2.137 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000840938682 650390209 /nfs/dbraw/zinc/39/02/09/650390209.db2.gz FGTRFMFSRWKBTG-INIZCTEOSA-N 1 0 316.449 2.097 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000840948609 650393384 /nfs/dbraw/zinc/39/33/84/650393384.db2.gz VNSYETMVMWEUIQ-QFBILLFUSA-N 1 0 317.477 2.356 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000895722069 638167086 /nfs/dbraw/zinc/16/70/86/638167086.db2.gz RCHARZVONHZHTN-OAHLLOKOSA-N 1 0 321.417 2.154 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@@H]1CCC(=O)N1 ZINC000840974963 650398022 /nfs/dbraw/zinc/39/80/22/650398022.db2.gz AOYBZCWFPOCLIR-AWEZNQCLSA-N 1 0 307.413 2.381 20 10 DECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000743812534 638176111 /nfs/dbraw/zinc/17/61/11/638176111.db2.gz AJTFFMXRAWZCCF-CQSZACIVSA-N 1 0 304.438 2.036 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745827192 638293322 /nfs/dbraw/zinc/29/33/22/638293322.db2.gz DUSXYYKBSDDWOH-GDBMZVCRSA-N 1 0 318.465 2.343 20 10 DECDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1ccccc1O ZINC000895992547 638302438 /nfs/dbraw/zinc/30/24/38/638302438.db2.gz KMMXLNCNFFCRGH-INIZCTEOSA-N 1 0 304.434 2.467 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000841044920 650413639 /nfs/dbraw/zinc/41/36/39/650413639.db2.gz FYDYSLROCQONAR-INIZCTEOSA-N 1 0 303.381 2.387 20 10 DECDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000746509918 638351173 /nfs/dbraw/zinc/35/11/73/638351173.db2.gz WOTMAZMOAOWGGD-INIZCTEOSA-N 1 0 318.465 2.284 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000896253843 638432679 /nfs/dbraw/zinc/43/26/79/638432679.db2.gz MFTGXLNDQBAXKC-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO CCN(CC)c1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1F ZINC000841100944 650431310 /nfs/dbraw/zinc/43/13/10/650431310.db2.gz PMRMSAMWAUGUAD-OAHLLOKOSA-N 1 0 309.429 2.222 20 10 DECDRO CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000749295964 638633505 /nfs/dbraw/zinc/63/35/05/638633505.db2.gz CZYXZGAGNMIRCK-HNNXBMFYSA-N 1 0 305.374 2.385 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1OC ZINC000896855223 638731904 /nfs/dbraw/zinc/73/19/04/638731904.db2.gz RXCLQIJTXFJJGH-YUTCNCBUSA-N 1 0 305.374 2.090 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(O)c1 ZINC000897261562 639295011 /nfs/dbraw/zinc/29/50/11/639295011.db2.gz JJQQVMKYWHKEOA-OAHLLOKOSA-N 1 0 321.417 2.297 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756537791 639670345 /nfs/dbraw/zinc/67/03/45/639670345.db2.gz ZWARAXXGJAPANW-GXSJLCMTSA-N 1 0 301.383 2.104 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756608431 639679112 /nfs/dbraw/zinc/67/91/12/639679112.db2.gz BMJHMLHMOWVIMU-GAJTVXKRSA-N 1 0 305.353 2.136 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000841656132 650531037 /nfs/dbraw/zinc/53/10/37/650531037.db2.gz WRNXONWBLHSVAX-ZBFHGGJFSA-N 1 0 304.438 2.069 20 10 DECDRO CC[NH+](CC)CCOCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000757944902 639899234 /nfs/dbraw/zinc/89/92/34/639899234.db2.gz CLLDQDCJYDAZMW-UHFFFAOYSA-N 1 0 300.830 2.494 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccccc1O ZINC000758850953 640000842 /nfs/dbraw/zinc/00/08/42/640000842.db2.gz HHBBVDLJPLSHHD-OAHLLOKOSA-N 1 0 305.422 2.408 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000729050473 640009497 /nfs/dbraw/zinc/00/94/97/640009497.db2.gz JSGMWITTZGFCAC-VXGBXAGGSA-N 1 0 309.410 2.101 20 10 DECDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710490 650548221 /nfs/dbraw/zinc/54/82/21/650548221.db2.gz XFFUMHSXSSMTJI-GOEBONIOSA-N 1 0 316.449 2.166 20 10 DECDRO C[NH+](C)CC1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC000760106103 640157166 /nfs/dbraw/zinc/15/71/66/640157166.db2.gz IMNJMXOJMHIJLT-UHFFFAOYSA-N 1 0 305.422 2.313 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000897432736 640224611 /nfs/dbraw/zinc/22/46/11/640224611.db2.gz MLGSALCNYVPALS-STQMWFEESA-N 1 0 321.421 2.103 20 10 DECDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987585466 640229377 /nfs/dbraw/zinc/22/93/77/640229377.db2.gz PCQGHRVBBKIVAA-SMDDNHRTSA-N 1 0 317.393 2.450 20 10 DECDRO CN(Cc1ccc(CO)o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221300 640287088 /nfs/dbraw/zinc/28/70/88/640287088.db2.gz DKKZZKOUKSOWQB-UHFFFAOYSA-N 1 0 304.390 2.349 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841824205 650570952 /nfs/dbraw/zinc/57/09/52/650570952.db2.gz NNMJBFDZQSELLB-UKRRQHHQSA-N 1 0 304.438 2.001 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841825018 650571577 /nfs/dbraw/zinc/57/15/77/650571577.db2.gz WNFBGYZEDMBMNA-GJZGRUSLSA-N 1 0 304.438 2.130 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1F ZINC000841799406 650567791 /nfs/dbraw/zinc/56/77/91/650567791.db2.gz VZAIAWSTTLDRBY-ZDUSSCGKSA-N 1 0 322.428 2.175 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc2ccccc2c1O ZINC000762788767 640459590 /nfs/dbraw/zinc/45/95/90/640459590.db2.gz QOCDXNQFCKESBM-UGSOOPFHSA-N 1 0 300.402 2.263 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841858318 650582221 /nfs/dbraw/zinc/58/22/21/650582221.db2.gz WYOCCRNDYKIMQV-NSHDSACASA-N 1 0 316.496 2.298 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2ccncc2F)[NH+](C)C)cc1 ZINC000897521774 640537815 /nfs/dbraw/zinc/53/78/15/640537815.db2.gz IUERCWYVLUINOB-QGZVFWFLSA-N 1 0 302.397 2.423 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763467775 640545206 /nfs/dbraw/zinc/54/52/06/640545206.db2.gz SMXDYUSKSXYOEW-INIZCTEOSA-N 1 0 309.406 2.058 20 10 DECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cccc(Cl)c1O ZINC000897524317 640547019 /nfs/dbraw/zinc/54/70/19/640547019.db2.gz VDYBMCJTLYVVOG-LLVKDONJSA-N 1 0 311.813 2.329 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841937003 650606490 /nfs/dbraw/zinc/60/64/90/650606490.db2.gz ZIXWCRSWLYXYNK-AWEZNQCLSA-N 1 0 305.422 2.313 20 10 DECDRO Nc1ccc(CCNC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000841955777 650611813 /nfs/dbraw/zinc/61/18/13/650611813.db2.gz MXEHRPPLYAZZEB-UHFFFAOYSA-N 1 0 318.465 2.423 20 10 DECDRO Nc1ccc(CCNC(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000841956076 650611975 /nfs/dbraw/zinc/61/19/75/650611975.db2.gz UHKBDVHNESHIBL-UHFFFAOYSA-N 1 0 318.465 2.362 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC1=CC[NH2+]CC1 ZINC000841973752 650616956 /nfs/dbraw/zinc/61/69/56/650616956.db2.gz ZBZWBXIYEMZTIO-UHFFFAOYSA-N 1 0 303.406 2.234 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000841987643 650620315 /nfs/dbraw/zinc/62/03/15/650620315.db2.gz OZHPMEDPMKNDQB-XHDPSFHLSA-N 1 0 321.421 2.279 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842009489 650627496 /nfs/dbraw/zinc/62/74/96/650627496.db2.gz BMMQIVZAYSOCCF-UKRRQHHQSA-N 1 0 305.422 2.441 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000768140692 641054537 /nfs/dbraw/zinc/05/45/37/641054537.db2.gz HEJPMFNVTCPZIE-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO COc1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c(O)cc1C ZINC000768444762 641081940 /nfs/dbraw/zinc/08/19/40/641081940.db2.gz CKECNKCPKFTBON-AWEZNQCLSA-N 1 0 307.390 2.437 20 10 DECDRO Cc1ncsc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447508 641082114 /nfs/dbraw/zinc/08/21/14/641082114.db2.gz QYBMZRSYSZAVAX-CYBMUJFWSA-N 1 0 306.387 2.215 20 10 DECDRO CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768449617 641083811 /nfs/dbraw/zinc/08/38/11/641083811.db2.gz WXAXSRZFGMSWTQ-LRDDRELGSA-N 1 0 307.390 2.067 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000768649731 641110012 /nfs/dbraw/zinc/11/00/12/641110012.db2.gz IGRDKURYCKAPHP-UHFFFAOYSA-N 1 0 310.463 2.057 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000842009002 650626215 /nfs/dbraw/zinc/62/62/15/650626215.db2.gz YWYBNXZWAXSYBT-KBPBESRZSA-N 1 0 306.454 2.410 20 10 DECDRO C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H](C)[NH3+] ZINC000842008964 650626359 /nfs/dbraw/zinc/62/63/59/650626359.db2.gz YJWCQCIHQLBASU-QWHCGFSZSA-N 1 0 317.389 2.433 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000769318839 641216646 /nfs/dbraw/zinc/21/66/46/641216646.db2.gz NXPBLBNHRNHOSM-CQSZACIVSA-N 1 0 308.397 2.273 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000769409031 641234835 /nfs/dbraw/zinc/23/48/35/641234835.db2.gz AKPUJHDADFVREB-ZDUSSCGKSA-N 1 0 307.390 2.219 20 10 DECDRO COc1ccc(O)c(CNC(=O)CCCC[NH+]2CCCC2)c1 ZINC000769540912 641257387 /nfs/dbraw/zinc/25/73/87/641257387.db2.gz VAXIHSOPZMKEKW-UHFFFAOYSA-N 1 0 306.406 2.283 20 10 DECDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451343 641663238 /nfs/dbraw/zinc/66/32/38/641663238.db2.gz XYWAKDSUXAHMAR-ZTFGCOKTSA-N 1 0 305.466 2.370 20 10 DECDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451342 641663492 /nfs/dbraw/zinc/66/34/92/641663492.db2.gz XYWAKDSUXAHMAR-OLMNPRSZSA-N 1 0 305.466 2.370 20 10 DECDRO CO[C@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000898447446 641665362 /nfs/dbraw/zinc/66/53/62/641665362.db2.gz KHFLHWNVBXPLMC-ZWKOTPCHSA-N 1 0 305.466 2.370 20 10 DECDRO CC[C@H]1C(=O)NCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000898559211 641704490 /nfs/dbraw/zinc/70/44/90/641704490.db2.gz ILJNWXBEQDYVLW-UABRLCRWSA-N 1 0 301.434 2.366 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N(C)C)cc1 ZINC000773065973 641724139 /nfs/dbraw/zinc/72/41/39/641724139.db2.gz PYESGVIRAOTAEA-ZDUSSCGKSA-N 1 0 310.463 2.228 20 10 DECDRO CCN(C)c1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)cc1 ZINC000773775675 641823678 /nfs/dbraw/zinc/82/36/78/641823678.db2.gz KJOUQDOPSVYUMB-UHFFFAOYSA-N 1 0 320.433 2.345 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927152573 641835283 /nfs/dbraw/zinc/83/52/83/641835283.db2.gz NGJHIDMNEWGIPN-UMVBOHGHSA-N 1 0 308.397 2.084 20 10 DECDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774991143 641991070 /nfs/dbraw/zinc/99/10/70/641991070.db2.gz NNIBOLDPKHKCJJ-GFCCVEGCSA-N 1 0 323.393 2.131 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000775316205 642028253 /nfs/dbraw/zinc/02/82/53/642028253.db2.gz ZFMBYWYLZBLMOM-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)O ZINC000775677139 642078143 /nfs/dbraw/zinc/07/81/43/642078143.db2.gz HNNXFPZXJGKPJK-UHFFFAOYSA-N 1 0 319.493 2.421 20 10 DECDRO Cc1cc(Cl)cc(CN2CC[NH+](C(C)(C)CO)CC2)c1O ZINC000775703723 642081064 /nfs/dbraw/zinc/08/10/64/642081064.db2.gz WAAAYQGWTHYXNY-UHFFFAOYSA-N 1 0 312.841 2.243 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H](OC)C(F)(F)F)cc1OC ZINC000776175126 642138917 /nfs/dbraw/zinc/13/89/17/642138917.db2.gz VQHZDJVPUPOJAY-LBPRGKRZSA-N 1 0 309.284 2.076 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000776869741 642213861 /nfs/dbraw/zinc/21/38/61/642213861.db2.gz ZGDKEXDHAMVPKD-JLJPHGGASA-N 1 0 309.406 2.172 20 10 DECDRO COCC1([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000777237094 642248731 /nfs/dbraw/zinc/24/87/31/642248731.db2.gz FMUHTWNNHXSQLI-ZDUSSCGKSA-N 1 0 308.397 2.492 20 10 DECDRO COC(=O)CC[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000779021884 642456706 /nfs/dbraw/zinc/45/67/06/642456706.db2.gz ZSQYPODMFMTLGU-CQSZACIVSA-N 1 0 311.353 2.075 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000779196091 642470995 /nfs/dbraw/zinc/47/09/95/642470995.db2.gz KKNOGIFLMYDXEL-GFCCVEGCSA-N 1 0 317.364 2.457 20 10 DECDRO CCOc1ccc(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)c(O)c1 ZINC000780593264 642647955 /nfs/dbraw/zinc/64/79/55/642647955.db2.gz CXYIBFVSWCZTSV-SJLPKXTDSA-N 1 0 323.433 2.447 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(O)c1O ZINC000780887529 642684591 /nfs/dbraw/zinc/68/45/91/642684591.db2.gz QNNQQKDIABIZDI-QWHCGFSZSA-N 1 0 306.406 2.399 20 10 DECDRO COC[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000781529016 642763348 /nfs/dbraw/zinc/76/33/48/642763348.db2.gz ITQNZUIEGSLEBN-GFCCVEGCSA-N 1 0 318.211 2.214 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618585 650783774 /nfs/dbraw/zinc/78/37/74/650783774.db2.gz SUVMJXIECHFKNU-MJEQTWJJSA-N 1 0 319.401 2.209 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000842625828 650785901 /nfs/dbraw/zinc/78/59/01/650785901.db2.gz SSGLTZRMXTVIIM-INIZCTEOSA-N 1 0 309.431 2.417 20 10 DECDRO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)c(O)cc1C ZINC000902610455 643083791 /nfs/dbraw/zinc/08/37/91/643083791.db2.gz TYQVKARIBYTADZ-HOTGVXAUSA-N 1 0 321.417 2.479 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]CC3(C)CC3)CC2)cc1 ZINC000785436858 643236067 /nfs/dbraw/zinc/23/60/67/643236067.db2.gz XICPARSQSICCFL-UHFFFAOYSA-N 1 0 303.450 2.207 20 10 DECDRO c1csc(SCCC[NH2+][C@H]2CCO[C@@]23CCOC3)n1 ZINC000903097256 643255600 /nfs/dbraw/zinc/25/56/00/643255600.db2.gz FCCPRJRPVLZMGW-WCQYABFASA-N 1 0 300.449 2.163 20 10 DECDRO C[C@@H]([NH2+]C[C@@]1(c2cnn(C)c2)CCCO1)c1ccccc1O ZINC000903355816 643325539 /nfs/dbraw/zinc/32/55/39/643325539.db2.gz KJRWEBMLBNYFHB-CXAGYDPISA-N 1 0 301.390 2.482 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000903396005 643333400 /nfs/dbraw/zinc/33/34/00/643333400.db2.gz KYENFOKYNZJBFG-QWHCGFSZSA-N 1 0 314.389 2.126 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000786166223 643334235 /nfs/dbraw/zinc/33/42/35/643334235.db2.gz VLNBKGVSTWXPDF-OAHLLOKOSA-N 1 0 301.386 2.402 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1 ZINC000903399439 643344033 /nfs/dbraw/zinc/34/40/33/643344033.db2.gz 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COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H]1C ZINC000787324335 643481514 /nfs/dbraw/zinc/48/15/14/643481514.db2.gz IVKDGOUCLWHWLL-NOZJJQNGSA-N 1 0 309.337 2.117 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906384 643504240 /nfs/dbraw/zinc/50/42/40/643504240.db2.gz VULABDQFNNPOMW-GOOCMWNKSA-N 1 0 301.434 2.482 20 10 DECDRO CCOc1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(O)c1 ZINC000903973205 643530653 /nfs/dbraw/zinc/53/06/53/643530653.db2.gz BGERSWRQKHGXKL-HNNXBMFYSA-N 1 0 320.433 2.039 20 10 DECDRO CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052711 650878438 /nfs/dbraw/zinc/87/84/38/650878438.db2.gz RRKKZGMAGZFEPE-WBVHZDCISA-N 1 0 321.440 2.222 20 10 DECDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000905722776 644021331 /nfs/dbraw/zinc/02/13/31/644021331.db2.gz MZEUSEHOAHMEMD-GFCCVEGCSA-N 1 0 315.373 2.234 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000793230653 644212659 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C3CC3)on2)cc1 ZINC000843299065 650944631 /nfs/dbraw/zinc/94/46/31/650944631.db2.gz QTJFVWZHGFRICI-CQSZACIVSA-N 1 0 314.389 2.048 20 10 DECDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000843298581 650944762 /nfs/dbraw/zinc/94/47/62/650944762.db2.gz PEGIELRZVYMHMB-XJKSGUPXSA-N 1 0 312.417 2.067 20 10 DECDRO CCN(CC)c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1F ZINC000841085449 644833748 /nfs/dbraw/zinc/83/37/48/644833748.db2.gz CPUXWTGOYDAUKZ-HNNXBMFYSA-N 1 0 309.429 2.140 20 10 DECDRO COCCCn1nccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000801720246 645433478 /nfs/dbraw/zinc/43/34/78/645433478.db2.gz SLSPEXDGORHTQN-UHFFFAOYSA-N 1 0 301.390 2.144 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000910558270 645501455 /nfs/dbraw/zinc/50/14/55/645501455.db2.gz NBVUBGDLSHZFEY-OAHLLOKOSA-N 1 0 315.461 2.204 20 10 DECDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910953847 645593644 /nfs/dbraw/zinc/59/36/44/645593644.db2.gz 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Cc1cc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000817941158 647389246 /nfs/dbraw/zinc/38/92/46/647389246.db2.gz JFWFNXUSNXQBRS-CJNGLKHVSA-N 1 0 301.438 2.145 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000817944089 647389429 /nfs/dbraw/zinc/38/94/29/647389429.db2.gz XGQMDWISZCJHKB-IAGOWNOFSA-N 1 0 313.449 2.227 20 10 DECDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961033 647394600 /nfs/dbraw/zinc/39/46/00/647394600.db2.gz TUBSBOKSPJUCSA-BLLLJJGKSA-N 1 0 307.413 2.050 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)n(C)n3)C2)cc1 ZINC000818220290 647434782 /nfs/dbraw/zinc/43/47/82/647434782.db2.gz GZPTTXXLBMQCGC-OAHLLOKOSA-N 1 0 314.433 2.353 20 10 DECDRO CC(C)[N@H+](CCN1CCOC1=O)Cc1ccc(N(C)C)cc1 ZINC000731103802 647447552 /nfs/dbraw/zinc/44/75/52/647447552.db2.gz IRQUXBGCDKBROB-UHFFFAOYSA-N 1 0 305.422 2.415 20 10 DECDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000731869141 647518201 /nfs/dbraw/zinc/51/82/01/647518201.db2.gz MVPYQDPHIPDTQV-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000818942049 647545380 /nfs/dbraw/zinc/54/53/80/647545380.db2.gz WOTXJKKNGRIIBK-MRXNPFEDSA-N 1 0 320.458 2.481 20 10 DECDRO CCOCC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000819002708 647562109 /nfs/dbraw/zinc/56/21/09/647562109.db2.gz OCCOCNOMZOGGHR-KRWDZBQOSA-N 1 0 322.449 2.041 20 10 DECDRO CO[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000822571119 648235397 /nfs/dbraw/zinc/23/53/97/648235397.db2.gz WASMNIXAMXKZQU-SFHVURJKSA-N 1 0 304.434 2.380 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)ccc1OC ZINC000824707871 648639365 /nfs/dbraw/zinc/63/93/65/648639365.db2.gz BELLMNPXJXKBEZ-MAUKXSAKSA-N 1 0 323.433 2.373 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000824789489 648653231 /nfs/dbraw/zinc/65/32/31/648653231.db2.gz CQXXBTKHLXARKX-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000824943021 648676033 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Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CC2CC2)cc1Cl ZINC000825365946 648749641 /nfs/dbraw/zinc/74/96/41/648749641.db2.gz PHKBILUPTZMHNW-UHFFFAOYSA-N 1 0 317.838 2.268 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1Cl ZINC000825549183 648779101 /nfs/dbraw/zinc/77/91/01/648779101.db2.gz LTYUCTWJORMERG-UHFFFAOYSA-N 1 0 305.765 2.408 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1F ZINC000826845934 648935662 /nfs/dbraw/zinc/93/56/62/648935662.db2.gz NITSOPGEGUJWNJ-CQSZACIVSA-N 1 0 303.385 2.005 20 10 DECDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000827280544 649007051 /nfs/dbraw/zinc/00/70/51/649007051.db2.gz FYPYWKOSQRUMCQ-YJBOKZPZSA-N 1 0 320.408 2.131 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827291915 649009166 /nfs/dbraw/zinc/00/91/66/649009166.db2.gz NIDWHBOTAMKHGY-SMDDNHRTSA-N 1 0 312.207 2.420 20 10 DECDRO Oc1cccc(Cl)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699544 649071339 /nfs/dbraw/zinc/07/13/39/649071339.db2.gz IKZRYEHQEDRGEY-ZDUSSCGKSA-N 1 0 310.825 2.077 20 10 DECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000827913830 649105036 /nfs/dbraw/zinc/10/50/36/649105036.db2.gz PIVUBMDUEVXLTP-BBRMVZONSA-N 1 0 301.434 2.073 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000827933995 649108055 /nfs/dbraw/zinc/10/80/55/649108055.db2.gz HRAXBPNEQXYIIF-UHFFFAOYSA-N 1 0 309.385 2.212 20 10 DECDRO COC1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC000828597765 649200837 /nfs/dbraw/zinc/20/08/37/649200837.db2.gz OANBTBCRTVRFSP-KSSFIOAISA-N 1 0 304.434 2.114 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000828666560 649207695 /nfs/dbraw/zinc/20/76/95/649207695.db2.gz GCUGICKLXFJYQZ-WBMJQRKESA-N 1 0 314.385 2.148 20 10 DECDRO [NH3+]CCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003892 649258093 /nfs/dbraw/zinc/25/80/93/649258093.db2.gz TZCCWNGMILPRCS-OAHLLOKOSA-N 1 0 306.406 2.029 20 10 DECDRO Nc1ccc(CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000831178180 649549375 /nfs/dbraw/zinc/54/93/75/649549375.db2.gz LUXJSXYNXSONDS-SFHVURJKSA-N 1 0 324.428 2.079 20 10 DECDRO CC[C@@H]1C[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000832283695 649691850 /nfs/dbraw/zinc/69/18/50/649691850.db2.gz ADZKTTYMIWQIIF-OIISXLGYSA-N 1 0 319.449 2.074 20 10 DECDRO CC(C)CCO[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279902 649691914 /nfs/dbraw/zinc/69/19/14/649691914.db2.gz MNOOCKKUVNLAEH-RHSMWYFYSA-N 1 0 321.465 2.320 20 10 DECDRO Cc1ccc(O)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832284810 649692401 /nfs/dbraw/zinc/69/24/01/649692401.db2.gz MTFXFVDQBCEXNQ-MRXNPFEDSA-N 1 0 313.401 2.196 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000844258281 651100675 /nfs/dbraw/zinc/10/06/75/651100675.db2.gz DOFBXSTUVOPBNU-UHFFFAOYSA-N 1 0 317.433 2.342 20 10 DECDRO COCC[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000844431868 651127876 /nfs/dbraw/zinc/12/78/76/651127876.db2.gz NTHIEEWXISNOMA-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO COc1cc(C[NH+]2CCC(Cn3cnnc3)CC2)c(O)cc1C ZINC000844736293 651162804 /nfs/dbraw/zinc/16/28/04/651162804.db2.gz XTXKCDHPMBYLMM-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845047172 651197870 /nfs/dbraw/zinc/19/78/70/651197870.db2.gz MBANWIHGCQXKDJ-QMTHXVAHSA-N 1 0 323.824 2.328 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)cc1 ZINC000846095391 651307534 /nfs/dbraw/zinc/30/75/34/651307534.db2.gz WPMRGXGALYCIFN-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c1O ZINC000846141104 651310595 /nfs/dbraw/zinc/31/05/95/651310595.db2.gz DLFKDXKJKXHDFQ-CYBMUJFWSA-N 1 0 314.385 2.481 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1O ZINC000846144695 651310678 /nfs/dbraw/zinc/31/06/78/651310678.db2.gz LSGAUXUIPVRWQY-ZIAGYGMSSA-N 1 0 308.422 2.020 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000846165666 651312235 /nfs/dbraw/zinc/31/22/35/651312235.db2.gz QIXMPADDMJEDPL-SWLSCSKDSA-N 1 0 309.406 2.229 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000846167142 651312591 /nfs/dbraw/zinc/31/25/91/651312591.db2.gz GZDCVUAXJPSLJG-LLVKDONJSA-N 1 0 313.419 2.019 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000846170338 651312833 /nfs/dbraw/zinc/31/28/33/651312833.db2.gz XFRMCSCFKRIWTF-SCRDCRAPSA-N 1 0 304.390 2.205 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000846210471 651315513 /nfs/dbraw/zinc/31/55/13/651315513.db2.gz NCUSYKDQZCXFHM-LBPRGKRZSA-N 1 0 321.421 2.151 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2ccco2)cc1 ZINC000846663779 651343871 /nfs/dbraw/zinc/34/38/71/651343871.db2.gz OGIUWADUBROJFS-INIZCTEOSA-N 1 0 301.390 2.094 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846672882 651344659 /nfs/dbraw/zinc/34/46/59/651344659.db2.gz MGMJEZFKGRXBJS-ZWKOTPCHSA-N 1 0 313.445 2.434 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC[C@H]2CCNC2=O)C2CC2)cc1 ZINC000846776829 651350898 /nfs/dbraw/zinc/35/08/98/651350898.db2.gz YXECCDBTKJIKAE-OAHLLOKOSA-N 1 0 301.434 2.243 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCCc2cncn2C)cc1 ZINC000847008453 651368703 /nfs/dbraw/zinc/36/87/03/651368703.db2.gz JXGXASRKYCYQRT-UHFFFAOYSA-N 1 0 316.449 2.430 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000847358384 651391588 /nfs/dbraw/zinc/39/15/88/651391588.db2.gz WJSOVGSPDYZHLN-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO C[NH+](C)CCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000847590709 651404363 /nfs/dbraw/zinc/40/43/63/651404363.db2.gz FGBFHMIYXYGPNQ-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352796 651453883 /nfs/dbraw/zinc/45/38/83/651453883.db2.gz UJCJLMYSGWNXAD-VIGJRRFGSA-N 1 0 316.401 2.244 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)ccc21 ZINC000848412618 651457073 /nfs/dbraw/zinc/45/70/73/651457073.db2.gz WKCKKCJNGFBZTG-QFBILLFUSA-N 1 0 313.445 2.075 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)O)c1O ZINC000848514721 651465591 /nfs/dbraw/zinc/46/55/91/651465591.db2.gz PILKFQVGCTTZPT-YUMQZZPRSA-N 1 0 304.184 2.195 20 10 DECDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556904 651470787 /nfs/dbraw/zinc/47/07/87/651470787.db2.gz DBMRNURJUGAWDL-NYTXWWLZSA-N 1 0 304.434 2.467 20 10 DECDRO CCC(C)(C)[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000848604340 651477824 /nfs/dbraw/zinc/47/78/24/651477824.db2.gz YYXLKVUARIOKGG-UHFFFAOYSA-N 1 0 318.465 2.327 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000848902219 651552683 /nfs/dbraw/zinc/55/26/83/651552683.db2.gz BAFDYXNZVKGOFE-QGZVFWFLSA-N 1 0 309.406 2.137 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(Cl)cnn3C)C2)cc1 ZINC000850346715 651904796 /nfs/dbraw/zinc/90/47/96/651904796.db2.gz INSLVSTZQIHNDQ-GFCCVEGCSA-N 1 0 320.824 2.451 20 10 DECDRO CCn1ccnc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346824 651904966 /nfs/dbraw/zinc/90/49/66/651904966.db2.gz KZKYNNJGGYMQJJ-AWEZNQCLSA-N 1 0 300.406 2.280 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3C)C2)cc1 ZINC000850347623 651905704 /nfs/dbraw/zinc/90/57/04/651905704.db2.gz VBKRDMMQHGFSHI-HNNXBMFYSA-N 1 0 300.406 2.106 20 10 DECDRO COc1cccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850352709 651907927 /nfs/dbraw/zinc/90/79/27/651907927.db2.gz FYWHMJKOPHKEKD-AWEZNQCLSA-N 1 0 312.369 2.078 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000850386907 651916240 /nfs/dbraw/zinc/91/62/40/651916240.db2.gz RNZCYWQBDOHKEY-KRWDZBQOSA-N 1 0 304.434 2.021 20 10 DECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850382939 651916486 /nfs/dbraw/zinc/91/64/86/651916486.db2.gz COXXWUUTHAUSTR-GDBMZVCRSA-N 1 0 308.397 2.177 20 10 DECDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1F ZINC000850410297 651922853 /nfs/dbraw/zinc/92/28/53/651922853.db2.gz KPTMJLQONZDYKJ-CYBMUJFWSA-N 1 0 323.295 2.222 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1(CO)CC1 ZINC000850514357 651942977 /nfs/dbraw/zinc/94/29/77/651942977.db2.gz FDCVGMPPBKFBNN-UONOGXRCSA-N 1 0 322.424 2.474 20 10 DECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568173 651953712 /nfs/dbraw/zinc/95/37/12/651953712.db2.gz QVDAWCCMWHDFDM-KRWDZBQOSA-N 1 0 304.434 2.305 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000850567390 651953912 /nfs/dbraw/zinc/95/39/12/651953912.db2.gz BIGBRSCJDVIBFG-KBXCAEBGSA-N 1 0 304.434 2.305 20 10 DECDRO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccccc1O ZINC000850560481 651954102 /nfs/dbraw/zinc/95/41/02/651954102.db2.gz FJLFRWFYKGEYJG-KGLIPLIRSA-N 1 0 303.406 2.333 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000114598334 651975271 /nfs/dbraw/zinc/97/52/71/651975271.db2.gz WWPBEWDBIQPSCN-CQSZACIVSA-N 1 0 321.421 2.074 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)C3([NH3+])CCCCC3)C2)cc1 ZINC000851639181 652195012 /nfs/dbraw/zinc/19/50/12/652195012.db2.gz CJVFIRQFTHVRER-AWEZNQCLSA-N 1 0 317.433 2.052 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000851639595 652195339 /nfs/dbraw/zinc/19/53/39/652195339.db2.gz HWIZGAHQZWIORE-GRDNDAEWSA-N 1 0 319.449 2.010 20 10 DECDRO O=C1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CN1 ZINC000851840608 652254937 /nfs/dbraw/zinc/25/49/37/652254937.db2.gz INVIBXLOPAFWJU-ZDUSSCGKSA-N 1 0 300.358 2.124 20 10 DECDRO Cc1noc(CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858130201 652260511 /nfs/dbraw/zinc/26/05/11/652260511.db2.gz BQKLAOHQMRQZBZ-UHFFFAOYSA-N 1 0 310.348 2.445 20 10 DECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157564 652268422 /nfs/dbraw/zinc/26/84/22/652268422.db2.gz ZUALDYRHISILGB-ZBFHGGJFSA-N 1 0 314.376 2.314 20 10 DECDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000858174977 652271563 /nfs/dbraw/zinc/27/15/63/652271563.db2.gz ZRHRKQFKQUXBBD-DGCLKSJQSA-N 1 0 316.195 2.048 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)c1 ZINC000851899589 652273891 /nfs/dbraw/zinc/27/38/91/652273891.db2.gz AFBYREPQUVUAEL-LLVKDONJSA-N 1 0 319.409 2.036 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1F ZINC000858228009 652284624 /nfs/dbraw/zinc/28/46/24/652284624.db2.gz XGVZHGYZSMLCMK-IAGOWNOFSA-N 1 0 310.413 2.301 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1F ZINC000858320494 652305576 /nfs/dbraw/zinc/30/55/76/652305576.db2.gz WEKAHTCYBYGYLZ-LBPRGKRZSA-N 1 0 311.401 2.170 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000858328523 652308751 /nfs/dbraw/zinc/30/87/51/652308751.db2.gz VVWAMLDIVJMTDQ-GFCCVEGCSA-N 1 0 322.405 2.500 20 10 DECDRO CCCC[N@H+](CC(=O)Nc1cnccn1)Cc1ccccc1O ZINC000852019548 652315344 /nfs/dbraw/zinc/31/53/44/652315344.db2.gz ZLOCVWZVXCAPAA-UHFFFAOYSA-N 1 0 314.389 2.423 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000852631038 652430001 /nfs/dbraw/zinc/43/00/01/652430001.db2.gz GBFKWAHHPFOGQN-OLZOCXBDSA-N 1 0 321.421 2.245 20 10 DECDRO FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@@H]1C[NH2+]CCO1 ZINC000852745653 652448503 /nfs/dbraw/zinc/44/85/03/652448503.db2.gz ZCBLDLZTIFBYJF-ZDUSSCGKSA-N 1 0 316.323 2.326 20 10 DECDRO COc1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c(O)c1 ZINC000852826125 652464401 /nfs/dbraw/zinc/46/44/01/652464401.db2.gz QFRAXXPWHGKIGP-INIZCTEOSA-N 1 0 312.369 2.252 20 10 DECDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000853538635 652565114 /nfs/dbraw/zinc/56/51/14/652565114.db2.gz ICUCLJHXNYTKKB-INIZCTEOSA-N 1 0 316.401 2.298 20 10 DECDRO C[N@H+](CCn1cccn1)Cc1c(O)cccc1Br ZINC000862244231 686263139 /nfs/dbraw/zinc/26/31/39/686263139.db2.gz YJLOIQIGEYENSH-UHFFFAOYSA-N 1 0 310.195 2.483 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H]1CO ZINC000862336406 686278844 /nfs/dbraw/zinc/27/88/44/686278844.db2.gz DGAABANEGYHVRS-SKDRFNHKSA-N 1 0 300.196 2.357 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000389778581 685435059 /nfs/dbraw/zinc/43/50/59/685435059.db2.gz FUCREQHMBOPNBN-BEFAXECRSA-N 1 0 323.440 2.448 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc2c(cc1O)CCCC2 ZINC000858522626 685553868 /nfs/dbraw/zinc/55/38/68/685553868.db2.gz GYBDTIZXZDKEFP-CJNGLKHVSA-N 1 0 304.434 2.252 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000858529769 685554334 /nfs/dbraw/zinc/55/43/34/685554334.db2.gz PNBPYFUNVPXTAS-UHFFFAOYSA-N 1 0 305.422 2.374 20 10 DECDRO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000077465210 683953013 /nfs/dbraw/zinc/95/30/13/683953013.db2.gz ULCGVBYLPFCZSF-QAPCUYQASA-N 1 0 322.424 2.303 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000132753746 684212651 /nfs/dbraw/zinc/21/26/51/684212651.db2.gz CXLUQGMYUQFLPA-CYBMUJFWSA-N 1 0 306.406 2.310 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)C2(O)CCC2)cc1 ZINC000929185608 693912550 /nfs/dbraw/zinc/91/25/50/693912550.db2.gz VYNKWQNCNLKBSY-KRWDZBQOSA-N 1 0 306.450 2.241 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000194775356 685077514 /nfs/dbraw/zinc/07/75/14/685077514.db2.gz JYVVJYOQURYEJC-LBPRGKRZSA-N 1 0 318.417 2.452 20 10 DECDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000304027736 685244230 /nfs/dbraw/zinc/24/42/30/685244230.db2.gz FIEXLVPVPBGFBG-MAUKXSAKSA-N 1 0 306.450 2.410 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CSC)C[C@H]2C)cc1C ZINC001054365773 693950322 /nfs/dbraw/zinc/95/03/22/693950322.db2.gz LGSDTCKWRKLWMV-UKRRQHHQSA-N 1 0 322.474 2.303 20 10 DECDRO COC(=O)CCCN1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000862476197 686307959 /nfs/dbraw/zinc/30/79/59/686307959.db2.gz LQGIGCBZNMTPMB-UHFFFAOYSA-N 1 0 320.433 2.208 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862518986 686313061 /nfs/dbraw/zinc/31/30/61/686313061.db2.gz OHZCHDBQZXTAFC-QCUQMOABSA-N 1 0 318.461 2.079 20 10 DECDRO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322523 686476565 /nfs/dbraw/zinc/47/65/65/686476565.db2.gz WQGVMKNKRFUELE-GSJFWJNXSA-N 1 0 306.406 2.091 20 10 DECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000864454579 686725536 /nfs/dbraw/zinc/72/55/36/686725536.db2.gz ONMRJXKUYAFSOJ-DOMZBBRYSA-N 1 0 304.463 2.262 20 10 DECDRO CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000865622025 687281009 /nfs/dbraw/zinc/28/10/09/687281009.db2.gz IZZAXQZOZMRYQU-CQSZACIVSA-N 1 0 315.421 2.065 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)C2)cc1C ZINC001018469225 688150398 /nfs/dbraw/zinc/15/03/98/688150398.db2.gz XXAXSLKSNBLYTF-AWEZNQCLSA-N 1 0 308.447 2.057 20 10 DECDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000872198743 688949692 /nfs/dbraw/zinc/94/96/92/688949692.db2.gz ZNOAQDCLGPINPH-OALUTQOASA-N 1 0 318.461 2.288 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872201462 688950856 /nfs/dbraw/zinc/95/08/56/688950856.db2.gz BMBBUDCQXFRIFJ-ROUUACIJSA-N 1 0 306.450 2.063 20 10 DECDRO COc1ccc(C[NH2+]CCC[C@H](C)CO)cc1Cn1cccn1 ZINC000873097729 689158692 /nfs/dbraw/zinc/15/86/92/689158692.db2.gz FJVFFLVTONHCDD-HNNXBMFYSA-N 1 0 317.433 2.438 20 10 DECDRO CN(C)c1ccc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873228641 689189160 /nfs/dbraw/zinc/18/91/60/689189160.db2.gz VDYUOWQJSRNSDL-GXTWGEPZSA-N 1 0 301.356 2.322 20 10 DECDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875092243 689570281 /nfs/dbraw/zinc/57/02/81/689570281.db2.gz PVECBCSZKTUCBD-UONOGXRCSA-N 1 0 301.390 2.044 20 10 DECDRO C[N@H+](CCCCNC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000875653984 689667623 /nfs/dbraw/zinc/66/76/23/689667623.db2.gz NBHYIOZVJJEIKD-UHFFFAOYSA-N 1 0 303.406 2.292 20 10 DECDRO CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034546347 689894041 /nfs/dbraw/zinc/89/40/41/689894041.db2.gz AZSNXSQLVHESGL-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccc(F)cc2O1 ZINC000876681852 689900162 /nfs/dbraw/zinc/90/01/62/689900162.db2.gz AWJKYAUELAWSAA-SXQWRXASSA-N 1 0 304.365 2.495 20 10 DECDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000876734385 689920617 /nfs/dbraw/zinc/92/06/17/689920617.db2.gz FFCTYROYNUDNFY-LBPRGKRZSA-N 1 0 316.323 2.296 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876873330 689960057 /nfs/dbraw/zinc/96/00/57/689960057.db2.gz CUFZPCQCKMNGHM-GDBMZVCRSA-N 1 0 307.413 2.049 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000876885559 689964323 /nfs/dbraw/zinc/96/43/23/689964323.db2.gz ORWCSRRPQROFGV-XURPKSDJSA-N 1 0 304.390 2.222 20 10 DECDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876980517 689989430 /nfs/dbraw/zinc/98/94/30/689989430.db2.gz IFUZJJJTLJKKDK-UHFFFAOYSA-N 1 0 314.385 2.229 20 10 DECDRO CO[C@H](C[NH2+]CCCSc1nccs1)[C@@H]1CCOC1 ZINC000877061952 690010912 /nfs/dbraw/zinc/01/09/12/690010912.db2.gz WDNOGNPYTDZLND-VXGBXAGGSA-N 1 0 302.465 2.266 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000877069571 690012122 /nfs/dbraw/zinc/01/21/22/690012122.db2.gz LWFRHPQQDBPPLO-AWEZNQCLSA-N 1 0 300.406 2.193 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(O)c1 ZINC000877110861 690020272 /nfs/dbraw/zinc/02/02/72/690020272.db2.gz FEJVTWJBPJZIRU-IAGOWNOFSA-N 1 0 304.434 2.434 20 10 DECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877406590 690104372 /nfs/dbraw/zinc/10/43/72/690104372.db2.gz YKWFLTTVSWGGGD-YPQKKHBXSA-N 1 0 304.434 2.064 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(O)c1 ZINC000877518525 690138181 /nfs/dbraw/zinc/13/81/81/690138181.db2.gz UWIPJLWDVUTBHG-INIZCTEOSA-N 1 0 317.433 2.470 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000877532000 690143313 /nfs/dbraw/zinc/14/33/13/690143313.db2.gz AZQSNUMATWZXDZ-SJCJKPOMSA-N 1 0 309.406 2.493 20 10 DECDRO Cc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(O)c1 ZINC000877553271 690149946 /nfs/dbraw/zinc/14/99/46/690149946.db2.gz MKMFUUBUHNFNQQ-QGZVFWFLSA-N 1 0 305.418 2.358 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)CO ZINC000877562019 690152975 /nfs/dbraw/zinc/15/29/75/690152975.db2.gz VGTQXQGEBFQPOU-UHFFFAOYSA-N 1 0 306.450 2.098 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2cc(C)c(C)cc2O)CCCOC1 ZINC000877697704 690194908 /nfs/dbraw/zinc/19/49/08/690194908.db2.gz ATKDWKRCICCFJQ-GOSISDBHSA-N 1 0 321.417 2.459 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2cccc(C)c2O)CCCOC1 ZINC000877698918 690195432 /nfs/dbraw/zinc/19/54/32/690195432.db2.gz QWFXPPGASUOTSI-QGZVFWFLSA-N 1 0 307.390 2.150 20 10 DECDRO COC(=O)C1CC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000877722229 690204499 /nfs/dbraw/zinc/20/44/99/690204499.db2.gz NCZYYENYOFFPEA-UHFFFAOYSA-N 1 0 318.417 2.205 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743270 690212556 /nfs/dbraw/zinc/21/25/56/690212556.db2.gz JHYIFSZVLZIWEM-MJGOQNOKSA-N 1 0 315.461 2.049 20 10 DECDRO CN(C)c1cc(F)c(C[NH+]2CCC3(CCNC3=O)CC2)cc1F ZINC000877782257 690227103 /nfs/dbraw/zinc/22/71/03/690227103.db2.gz POVBDQOFKKCTTK-UHFFFAOYSA-N 1 0 323.387 2.133 20 10 DECDRO CCc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000877808533 690237647 /nfs/dbraw/zinc/23/76/47/690237647.db2.gz MPEHOKHMTFQYBK-SFESLNEESA-N 1 0 323.458 2.400 20 10 DECDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923051 690261251 /nfs/dbraw/zinc/26/12/51/690261251.db2.gz INORXGDYVCKAQH-DOTOQJQBSA-N 1 0 304.434 2.380 20 10 DECDRO CC[C@@H](C[NH+]1CCN(c2ccc(OC)cc2OC)CC1)OC ZINC000879463520 690647093 /nfs/dbraw/zinc/64/70/93/690647093.db2.gz ZJKHICRYKLKORV-AWEZNQCLSA-N 1 0 308.422 2.251 20 10 DECDRO COC(=O)c1cc(C(=O)C[NH2+][C@@H](C)c2ccccc2O)c(C)[nH]1 ZINC000879649646 690699174 /nfs/dbraw/zinc/69/91/74/690699174.db2.gz APRDCIFGSYIZOS-JTQLQIEISA-N 1 0 316.357 2.349 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061086 691006312 /nfs/dbraw/zinc/00/63/12/691006312.db2.gz OZLAYMNQIGWIQP-CYBMUJFWSA-N 1 0 303.366 2.062 20 10 DECDRO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881852396 691173696 /nfs/dbraw/zinc/17/36/96/691173696.db2.gz ONPHISRRUMURRO-NVXWUHKLSA-N 1 0 315.461 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCC4)cc2)CC1 ZINC000881850698 691173922 /nfs/dbraw/zinc/17/39/22/691173922.db2.gz COLDOJKQJHNUEV-KRWDZBQOSA-N 1 0 313.445 2.245 20 10 DECDRO Cc1c(F)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882879934 691377555 /nfs/dbraw/zinc/37/75/55/691377555.db2.gz UTJRLGPTVAGAPU-UHFFFAOYSA-N 1 0 315.396 2.288 20 10 DECDRO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883033819 691416136 /nfs/dbraw/zinc/41/61/36/691416136.db2.gz DXXABDODJDXRFO-CYBMUJFWSA-N 1 0 302.365 2.117 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCOC1 ZINC000883182047 691450965 /nfs/dbraw/zinc/45/09/65/691450965.db2.gz QMNWJMBOZGPVIF-GOEBONIOSA-N 1 0 310.413 2.423 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394958 691496225 /nfs/dbraw/zinc/49/62/25/691496225.db2.gz KLSIBTHPAAZNTB-DGCLKSJQSA-N 1 0 304.390 2.062 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccc4ncnn4c3)cc2)CC1 ZINC000883409000 691501799 /nfs/dbraw/zinc/50/17/99/691501799.db2.gz LSZUEKXWVNCKDE-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)n1-c1ccccn1 ZINC000884356503 691717873 /nfs/dbraw/zinc/71/78/73/691717873.db2.gz GYJHNZFGOJXLBU-HUUCEWRRSA-N 1 0 312.417 2.345 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CSC)cc1C ZINC001044910998 691909720 /nfs/dbraw/zinc/90/97/20/691909720.db2.gz HTNZRBJESLHJGM-HNNXBMFYSA-N 1 0 322.474 2.447 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000886325451 692056562 /nfs/dbraw/zinc/05/65/62/692056562.db2.gz GLQMMDLLLZYMSY-UHFFFAOYSA-N 1 0 301.434 2.421 20 10 DECDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H]1CCCOC1 ZINC000886788866 692191418 /nfs/dbraw/zinc/19/14/18/692191418.db2.gz KCNQWYSZAWBWJJ-WWGRRREGSA-N 1 0 309.406 2.493 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000894371835 692983344 /nfs/dbraw/zinc/98/33/44/692983344.db2.gz HJVNRRZSIUVQHT-PBHICJAKSA-N 1 0 307.390 2.137 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000894371838 692983370 /nfs/dbraw/zinc/98/33/70/692983370.db2.gz HJVNRRZSIUVQHT-YOEHRIQHSA-N 1 0 307.390 2.137 20 10 DECDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC000894764818 692987761 /nfs/dbraw/zinc/98/77/61/692987761.db2.gz VRFCZXWZDKGMKD-LLVKDONJSA-N 1 0 305.378 2.477 20 10 DECDRO C[C@H]1[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[N@@H+]1C ZINC000925328133 693257221 /nfs/dbraw/zinc/25/72/21/693257221.db2.gz UXIMIKXSDFMSDM-LRDDRELGSA-N 1 0 317.433 2.163 20 10 DECDRO CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000927132913 693558876 /nfs/dbraw/zinc/55/88/76/693558876.db2.gz OPXCQGCSCTYWDC-RDJZCZTQSA-N 1 0 302.422 2.260 20 10 DECDRO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1O ZINC001332119698 1149821942 /nfs/dbraw/zinc/82/19/42/1149821942.db2.gz JRNNMQSVLIXZIO-CYBMUJFWSA-N 1 0 305.422 2.484 20 10 DECDRO O=c1[nH]cccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001332998763 1149951247 /nfs/dbraw/zinc/95/12/47/1149951247.db2.gz AFCAZILAMGTKRH-UHFFFAOYSA-N 1 0 313.401 2.038 20 10 DECDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333842965 1150099462 /nfs/dbraw/zinc/09/94/62/1150099462.db2.gz UJDPKHRJJMVSAB-MAUKXSAKSA-N 1 0 315.465 2.230 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[NH2+]C)cc1 ZINC001345141471 1150867407 /nfs/dbraw/zinc/86/74/07/1150867407.db2.gz MRBMMQALQGATPI-AWEZNQCLSA-N 1 0 306.454 2.330 20 10 DECDRO CCc1ccc2c(c1)CCN2C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001345676618 1150904701 /nfs/dbraw/zinc/90/47/01/1150904701.db2.gz YVUFJZRSTXKZLL-AWEZNQCLSA-N 1 0 310.401 2.252 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001350293475 1151341702 /nfs/dbraw/zinc/34/17/02/1151341702.db2.gz KGTBJUIBCVXFJU-CQSZACIVSA-N 1 0 315.377 2.159 20 10 DECDRO CN(Cc1ccccc1O)C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001353182413 1151814761 /nfs/dbraw/zinc/81/47/61/1151814761.db2.gz JXKQWSYQPFDRQI-RUCARUNLSA-N 1 0 310.397 2.410 20 10 DECDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001357361078 1152293277 /nfs/dbraw/zinc/29/32/77/1152293277.db2.gz DENXOXASAFTJOJ-HNNXBMFYSA-N 1 0 321.490 2.374 20 10 DECDRO C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001447965012 1184981420 /nfs/dbraw/zinc/98/14/20/1184981420.db2.gz DIHWYVGAMOFWFU-DZGCQCFKSA-N 1 0 307.413 2.364 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001332649501 1149876143 /nfs/dbraw/zinc/87/61/43/1149876143.db2.gz GZDFDPGPCCVUCF-CQSZACIVSA-N 1 0 305.422 2.232 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nnccc3Cl)cc2)CC1 ZINC001167423059 777016325 /nfs/dbraw/zinc/01/63/25/777016325.db2.gz LSRJWLUMEFSPPH-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCO[C@@H]2C)cc1C ZINC001126329229 778733220 /nfs/dbraw/zinc/73/32/20/778733220.db2.gz YHCCBJQCAPCJSP-ZBFHGGJFSA-N 1 0 320.433 2.025 20 10 DECDRO CN(C)CC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499547 790934622 /nfs/dbraw/zinc/93/46/22/790934622.db2.gz IEKNXDYGWKIIRK-UHFFFAOYSA-N 1 0 316.401 2.367 20 10 DECDRO Oc1cc(O)c(CN2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC001144509568 790941029 /nfs/dbraw/zinc/94/10/29/790941029.db2.gz ZREDWEXZWZTFLG-UHFFFAOYSA-N 1 0 306.406 2.111 20 10 DECDRO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515605 790941915 /nfs/dbraw/zinc/94/19/15/790941915.db2.gz SGLRCVNIBFBLFW-LLVKDONJSA-N 1 0 323.389 2.357 20 10 DECDRO Cc1cc2c(cc1N1CCCc3ccc(C[NH3+])nc31)CC(=O)N2 ZINC001169590281 785250095 /nfs/dbraw/zinc/25/00/95/785250095.db2.gz DRUJVGNSTSKYES-UHFFFAOYSA-N 1 0 308.385 2.428 20 10 DECDRO CCOC(=O)N1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001169651248 785283712 /nfs/dbraw/zinc/28/37/12/785283712.db2.gz FEEPDSKURSFPIH-AWEZNQCLSA-N 1 0 322.405 2.241 20 10 DECDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001169661629 785292003 /nfs/dbraw/zinc/29/20/03/785292003.db2.gz KKWXDQIQMZRFOL-ZDUSSCGKSA-N 1 0 308.378 2.198 20 10 DECDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691429795 785357345 /nfs/dbraw/zinc/35/73/45/785357345.db2.gz XLPSEQCFNLPLME-NWDGAFQWSA-N 1 0 300.196 2.404 20 10 DECDRO C[C@@H](CC[NH2+]Cc1ccc(Br)cc1O)[S@@](C)=O ZINC000691440282 785539230 /nfs/dbraw/zinc/53/92/30/785539230.db2.gz POEPBEQDZULWSS-HUTHGQBESA-N 1 0 320.252 2.401 20 10 DECDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177698195 794731106 /nfs/dbraw/zinc/73/11/06/794731106.db2.gz RESWGAKNAQSDSV-INIZCTEOSA-N 1 0 303.450 2.097 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](CO)c2cccnc2)cc1F ZINC001118804140 795228157 /nfs/dbraw/zinc/22/81/57/795228157.db2.gz ZNYNOEADPRYXAU-AWEZNQCLSA-N 1 0 321.371 2.292 20 10 DECDRO COc1cc(C)c(C[NH2+]CCCN2CCCO[C@@H](C)C2)c(O)c1 ZINC001180866023 795386240 /nfs/dbraw/zinc/38/62/40/795386240.db2.gz XUCVGFWJDOERFC-HNNXBMFYSA-N 1 0 322.449 2.300 20 10 DECDRO O=C(CC12CCC[NH+]1CCC2)N1CCc2cccc(O)c2C1 ZINC001181108686 795420411 /nfs/dbraw/zinc/42/04/11/795420411.db2.gz FKJYASCLCKOOTR-UHFFFAOYSA-N 1 0 300.402 2.295 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1C[NH3+] ZINC001120494992 795472921 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CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594874 801692334 /nfs/dbraw/zinc/69/23/34/801692334.db2.gz LRORHDQHTFUYPO-MRXNPFEDSA-N 1 0 320.433 2.160 20 10 DECDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231634747 801699949 /nfs/dbraw/zinc/69/99/49/801699949.db2.gz ODPLOIVVHLUBLT-DYVFJYSZSA-N 1 0 307.390 2.355 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001231853877 801736795 /nfs/dbraw/zinc/73/67/95/801736795.db2.gz SVXKHXDFTIFRKV-WMLDXEAASA-N 1 0 303.450 2.287 20 10 DECDRO Cc1cnc(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)nc1 ZINC001231850418 801737177 /nfs/dbraw/zinc/73/71/77/801737177.db2.gz OZGHEIHECWCMTL-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001231854217 801739179 /nfs/dbraw/zinc/73/91/79/801739179.db2.gz BDEHSDBPAOIWOL-KRWDZBQOSA-N 1 0 319.449 2.204 20 10 DECDRO CC[NH+]1C[C@H]2CN(Cc3ccc(N(C)C)cc3OC)C[C@@H]2C1 ZINC001231854495 801739291 /nfs/dbraw/zinc/73/92/91/801739291.db2.gz BENFDHBTZBOASK-HOTGVXAUSA-N 1 0 303.450 2.145 20 10 DECDRO Cc1cc(O)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)cc1Cl ZINC001231868797 801741936 /nfs/dbraw/zinc/74/19/36/801741936.db2.gz YVRZBJXSENQWIG-GFCCVEGCSA-N 1 0 301.814 2.308 20 10 DECDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194260 801813312 /nfs/dbraw/zinc/81/33/12/801813312.db2.gz GXCAOIAETDGUHL-INIZCTEOSA-N 1 0 310.825 2.133 20 10 DECDRO CN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198214 801815167 /nfs/dbraw/zinc/81/51/67/801815167.db2.gz LWDHCKCXWXTSKE-UHFFFAOYSA-N 1 0 311.857 2.170 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(n3cnnc3)CC2)cc1Cl ZINC001232267726 801832368 /nfs/dbraw/zinc/83/23/68/801832368.db2.gz FZXGQUGIHRAMTL-UHFFFAOYSA-N 1 0 322.796 2.483 20 10 DECDRO CC1([NH+]2CCCC2)CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016491 802004107 /nfs/dbraw/zinc/00/41/07/802004107.db2.gz ZEXMJCBISPPQLK-UHFFFAOYSA-N 1 0 306.406 2.254 20 10 DECDRO CCc1noc([C@H]2CCCN(Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016795 802004364 /nfs/dbraw/zinc/00/43/64/802004364.db2.gz ONHOGAZZZXLKLE-NSHDSACASA-N 1 0 319.361 2.128 20 10 DECDRO Cc1c[nH]c(=O)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001233193717 802045948 /nfs/dbraw/zinc/04/59/48/802045948.db2.gz HJZSEIZJDFOWBF-UHFFFAOYSA-N 1 0 300.358 2.455 20 10 DECDRO CN(C)C(=O)CC[N@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418303 802111966 /nfs/dbraw/zinc/11/19/66/802111966.db2.gz ATOVFVSUVIZIAG-UHFFFAOYSA-N 1 0 304.312 2.321 20 10 DECDRO C[N@H+](CCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233452390 802121445 /nfs/dbraw/zinc/12/14/45/802121445.db2.gz UVMSFIVWCHEXLJ-UHFFFAOYSA-N 1 0 318.339 2.175 20 10 DECDRO CC1([NH+]2CCCC2)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486930 802127243 /nfs/dbraw/zinc/12/72/43/802127243.db2.gz IRCBFQHSKGBTBW-UHFFFAOYSA-N 1 0 306.406 2.254 20 10 DECDRO COc1cccc(CC[N@H+](C)Cc2cc(O)c(O)cc2O)c1 ZINC001233485563 802127314 /nfs/dbraw/zinc/12/73/14/802127314.db2.gz AXRDZZHAUILAGO-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1Cc2ccccc2O1 ZINC001233487408 802128556 /nfs/dbraw/zinc/12/85/56/802128556.db2.gz CDFYZCVUYCQRDB-CYBMUJFWSA-N 1 0 301.342 2.239 20 10 DECDRO COC(=O)CC1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761059 802200268 /nfs/dbraw/zinc/20/02/68/802200268.db2.gz OSOGCLAUMGTDAH-UHFFFAOYSA-N 1 0 319.279 2.286 20 10 DECDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218955909 802265454 /nfs/dbraw/zinc/26/54/54/802265454.db2.gz QXZJFLRVUMKBNR-PIIMJCKOSA-N 1 0 307.397 2.267 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(OCC(N)=O)CC2)cc1C(C)C ZINC001331361748 1149428602 /nfs/dbraw/zinc/42/86/02/1149428602.db2.gz HAYOHZJTBITMMU-UHFFFAOYSA-N 1 0 320.433 2.290 20 10 DECDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001346206146 1150951368 /nfs/dbraw/zinc/95/13/68/1150951368.db2.gz PCMHOMUYWSLLSO-INIZCTEOSA-N 1 0 313.445 2.387 20 10 DECDRO C[NH2+][C@H](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001328221222 1148744164 /nfs/dbraw/zinc/74/41/64/1148744164.db2.gz PFPAKRRGKOQFKB-GFCCVEGCSA-N 1 0 300.406 2.217 20 10 DECDRO Cn1c(C(=O)NCc2ccc(N)cc2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001524018336 1069793555 /nfs/dbraw/zinc/79/35/55/1069793555.db2.gz KCENEHXCBOEUDX-HNNXBMFYSA-N 1 0 312.417 2.352 20 10 DECDRO COc1cc(C[NH+]2CC(C)(C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC001328761577 1148832188 /nfs/dbraw/zinc/83/21/88/1148832188.db2.gz FVQKUZJDFPMPRD-UHFFFAOYSA-N 1 0 306.406 2.006 20 10 DECDRO C[C@@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1O ZINC001462514097 1058845502 /nfs/dbraw/zinc/84/55/02/1058845502.db2.gz XJFCRXDXSSBMNC-GFCCVEGCSA-N 1 0 309.431 2.400 20 10 DECDRO COc1cc(C[NH2+][C@@H](CO)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC001474093821 1060814140 /nfs/dbraw/zinc/81/41/40/1060814140.db2.gz DXHFXFNOTXWPBR-WBMJQRKESA-N 1 0 323.433 2.185 20 10 DECDRO NC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001474177316 1060826517 /nfs/dbraw/zinc/82/65/17/1060826517.db2.gz LEIVQNPWRBQMGO-JKSUJKDBSA-N 1 0 301.434 2.421 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cnc4ccnn4c3)cc2)CC1 ZINC001474296392 1060844552 /nfs/dbraw/zinc/84/45/52/1060844552.db2.gz LENAHTBGIDQQSA-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]4CC[C@H]3O4)cc2)CC1 ZINC001474305023 1060849049 /nfs/dbraw/zinc/84/90/49/1060849049.db2.gz IKPFBJGQHADYAR-RCCFBDPRSA-N 1 0 302.418 2.057 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCN(CC(F)F)CC2)c(O)c1 ZINC001621314859 1078172555 /nfs/dbraw/zinc/17/25/55/1078172555.db2.gz UBOMZWQFIDYJLZ-UHFFFAOYSA-N 1 0 314.376 2.482 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(Cn3cnnc3)CC2)c(O)c1 ZINC001621427462 1078174014 /nfs/dbraw/zinc/17/40/14/1078174014.db2.gz LTRNJMBWLGQDJY-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cncs2)cc1C ZINC001569047419 1065255220 /nfs/dbraw/zinc/25/52/20/1065255220.db2.gz KDSLVJUWOUSLCD-LBPRGKRZSA-N 1 0 319.430 2.368 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccsn2)cc1C ZINC001569063077 1065265463 /nfs/dbraw/zinc/26/54/63/1065265463.db2.gz KXBWITMVWYRNGW-LBPRGKRZSA-N 1 0 319.430 2.368 20 10 DECDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000034687017 1078195061 /nfs/dbraw/zinc/19/50/61/1078195061.db2.gz HYQSVLBKVJLLMU-GOSISDBHSA-N 1 0 305.466 2.295 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628126411 1078290599 /nfs/dbraw/zinc/29/05/99/1078290599.db2.gz JALHSYFBVYMVFF-KGLIPLIRSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](OC)C2CC2)cc1C ZINC001498038589 1066473986 /nfs/dbraw/zinc/47/39/86/1066473986.db2.gz XMURCRFYADUILN-GUYCJALGSA-N 1 0 320.433 2.023 20 10 DECDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001576237864 1066532971 /nfs/dbraw/zinc/53/29/71/1066532971.db2.gz AICVJXPYLMJUSS-CQSZACIVSA-N 1 0 301.434 2.434 20 10 DECDRO CC[NH2+][C@H](C)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001577887078 1066942279 /nfs/dbraw/zinc/94/22/79/1066942279.db2.gz HOVVLIWRWRNYQD-LLVKDONJSA-N 1 0 321.396 2.192 20 10 DECDRO C[NH2+]Cc1ccccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001578739638 1067158296 /nfs/dbraw/zinc/15/82/96/1067158296.db2.gz CXEGATUSMPYBGY-CLFYSBASSA-N 1 0 312.369 2.147 20 10 DECDRO COC1CCN(c2ccc(CN3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC001578940382 1067206992 /nfs/dbraw/zinc/20/69/92/1067206992.db2.gz FCGYBAIEJGFTGP-HNNXBMFYSA-N 1 0 303.450 2.096 20 10 DECDRO COc1ccc2c(c1)CCN2Cc1nc2c(s1)C[NH2+]CC2 ZINC001579243788 1067271562 /nfs/dbraw/zinc/27/15/62/1067271562.db2.gz PBKFVRLKBOXTRA-UHFFFAOYSA-N 1 0 301.415 2.360 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001579447681 1067341708 /nfs/dbraw/zinc/34/17/08/1067341708.db2.gz OGMBOBPGHNQMKR-NVXWUHKLSA-N 1 0 315.461 2.491 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001579617997 1067386506 /nfs/dbraw/zinc/38/65/06/1067386506.db2.gz YBECCAZOOLJLMW-SHTZXODSSA-N 1 0 304.438 2.130 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)SC)cc1C ZINC001267348936 1078783921 /nfs/dbraw/zinc/78/39/21/1078783921.db2.gz NSGUQCAVQQMCMK-ZDUSSCGKSA-N 1 0 310.463 2.303 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)no3)cc2F)CC1 ZINC001515458312 1068878759 /nfs/dbraw/zinc/87/87/59/1068878759.db2.gz JKKKZGXHGCQANG-UHFFFAOYSA-N 1 0 319.384 2.271 20 10 DECDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385578 1078845707 /nfs/dbraw/zinc/84/57/07/1078845707.db2.gz CJVGEUQOXNRUOH-DAXOMENPSA-N 1 0 318.417 2.462 20 10 DECDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272385552 1078845945 /nfs/dbraw/zinc/84/59/45/1078845945.db2.gz BYGIDYNHOGTFDN-SCLBCKFNSA-N 1 0 318.417 2.463 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001574035405 1069146664 /nfs/dbraw/zinc/14/66/64/1069146664.db2.gz QWNMCVHNCKVHMD-CJNGLKHVSA-N 1 0 319.449 2.011 20 10 DECDRO CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC001645356174 1078896056 /nfs/dbraw/zinc/89/60/56/1078896056.db2.gz VUDWDEPGEPUHRS-GDBMZVCRSA-N 1 0 303.450 2.489 20 10 DECDRO O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1ccc(N2CCCC2)cc1 ZINC001540729063 1072426429 /nfs/dbraw/zinc/42/64/29/1072426429.db2.gz GQAJVHMYAUCALB-MRXNPFEDSA-N 1 0 319.424 2.337 20 10 DECDRO Cc1cc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Br ZINC001235995604 1079070920 /nfs/dbraw/zinc/07/09/20/1079070920.db2.gz VIXIZCGFLGZJPG-RISCZKNCSA-N 1 0 311.223 2.386 20 10 DECDRO Cn1nccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001560272918 1075135718 /nfs/dbraw/zinc/13/57/18/1075135718.db2.gz SDAGRMZYGQPZTF-UHFFFAOYSA-N 1 0 302.447 2.263 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2CN(C(=O)OC)C2)cc1F ZINC001560445816 1075140323 /nfs/dbraw/zinc/14/03/23/1075140323.db2.gz KZUMNQLNKFOSRR-UHFFFAOYSA-N 1 0 309.385 2.212 20 10 DECDRO O=C1N(CC[NH2+]Cc2ccc(Cl)cc2O)C[C@@H]2CCCCN12 ZINC001560939717 1075148278 /nfs/dbraw/zinc/14/82/78/1075148278.db2.gz OOMWIBAOPXKBAL-AWEZNQCLSA-N 1 0 323.824 2.425 20 10 DECDRO COC1CC(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001560945356 1075148547 /nfs/dbraw/zinc/14/85/47/1075148547.db2.gz YGCHVUTWZOWEOA-UHFFFAOYSA-N 1 0 304.434 2.162 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001566374728 1075242203 /nfs/dbraw/zinc/24/22/03/1075242203.db2.gz RYNYSCBFANCLQA-LBPRGKRZSA-N 1 0 304.390 2.206 20 10 DECDRO CCC[N@H+](Cc1cncc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC001590632219 1076662888 /nfs/dbraw/zinc/66/28/88/1076662888.db2.gz HUKJPCGBAIODTR-UHFFFAOYSA-N 1 0 324.388 2.380 20 10 DECDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CN1CC1CC1 ZINC001651477444 1079813814 /nfs/dbraw/zinc/81/38/14/1079813814.db2.gz WFMXQVFKJNROQH-QGZVFWFLSA-N 1 0 313.445 2.387 20 10 DECDRO CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001652551537 1079882943 /nfs/dbraw/zinc/88/29/43/1079882943.db2.gz GBHQWABTXQGEQG-NSHDSACASA-N 1 0 317.838 2.302 20 10 DECDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC001655728144 1080014718 /nfs/dbraw/zinc/01/47/18/1080014718.db2.gz DLVLBIHMKQWLFL-SFHVURJKSA-N 1 0 314.433 2.234 20 10 DECDRO COC1CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001655739577 1080015139 /nfs/dbraw/zinc/01/51/39/1080015139.db2.gz JZWZAPZJJUIQPK-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(Cn3ccnn3)CC2)c(O)c1 ZINC001657376161 1080171442 /nfs/dbraw/zinc/17/14/42/1080171442.db2.gz KZXGURQWAFNWJG-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(C(C)C)ccc2O)CCOC1 ZINC001657682624 1080182186 /nfs/dbraw/zinc/18/21/86/1080182186.db2.gz RDWAJELCJOBKEW-KRWDZBQOSA-N 1 0 307.390 2.327 20 10 DECDRO CCN1CCC[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001660178915 1080283150 /nfs/dbraw/zinc/28/31/50/1080283150.db2.gz YNGAKXPLQNSZRP-MJGOQNOKSA-N 1 0 318.509 2.429 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC001662318867 1080595889 /nfs/dbraw/zinc/59/58/89/1080595889.db2.gz HSDMTYDHOOBMRP-HUUCEWRRSA-N 1 0 302.418 2.221 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCCO2)cc1C ZINC001663886730 1080832522 /nfs/dbraw/zinc/83/25/22/1080832522.db2.gz KLYAHFPIKUVZLM-KRWDZBQOSA-N 1 0 320.433 2.121 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC/C=C/C[NH2+]CCCF)cc1 ZINC001268632261 1080905784 /nfs/dbraw/zinc/90/57/84/1080905784.db2.gz HTEFENLTODWORK-DBZUVFRKSA-N 1 0 321.356 2.084 20 10 DECDRO CC[C@@H](CNC(=O)CC(C)(C)O)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665782864 1081082312 /nfs/dbraw/zinc/08/23/12/1081082312.db2.gz WBOLJNYOEDSEHQ-HNNXBMFYSA-N 1 0 322.449 2.149 20 10 DECDRO COCC(C)(C)C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266774529 1082335584 /nfs/dbraw/zinc/33/55/84/1082335584.db2.gz CZEVQBMQVLMRTO-UHFFFAOYSA-N 1 0 322.449 2.224 20 10 DECDRO C[N@@H+]1CCC2(CN(Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001276530173 1083482700 /nfs/dbraw/zinc/48/27/00/1083482700.db2.gz NJJDPAGLENOOGM-UHFFFAOYSA-N 1 0 316.323 2.428 20 10 DECDRO CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001277092684 1083770250 /nfs/dbraw/zinc/77/02/50/1083770250.db2.gz JOTVLFACHBKMBZ-YEORSEQZSA-N 1 0 317.393 2.357 20 10 DECDRO Cc1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)c(O)c1 ZINC001277569281 1084040051 /nfs/dbraw/zinc/04/00/51/1084040051.db2.gz WWQFWEZBPXJLFE-UHFFFAOYSA-N 1 0 310.344 2.094 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)SC)cc1C ZINC001491397500 1084280044 /nfs/dbraw/zinc/28/00/44/1084280044.db2.gz BAYTXLPVPASCQC-CHWSQXEVSA-N 1 0 310.463 2.349 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3)c(C)n1-c1ccccc1 ZINC001235298123 1084376126 /nfs/dbraw/zinc/37/61/26/1084376126.db2.gz JPSLNKARAABBSE-HDICACEKSA-N 1 0 311.429 2.267 20 10 DECDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902356 1084453190 /nfs/dbraw/zinc/45/31/90/1084453190.db2.gz CROTYVSYBVRIHK-GOSISDBHSA-N 1 0 318.417 2.178 20 10 DECDRO Nc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC001235680345 1084495903 /nfs/dbraw/zinc/49/59/03/1084495903.db2.gz WCRPCFKTGPKOMF-UHFFFAOYSA-N 1 0 311.429 2.465 20 10 DECDRO COC(=O)[C@H]1C[C@H]([NH3+])CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235770494 1084522972 /nfs/dbraw/zinc/52/29/72/1084522972.db2.gz DUVDMVKGIHOEFF-ZFWWWQNUSA-N 1 0 320.433 2.012 20 10 DECDRO Oc1c(CN(C2CC2)C2C[NH2+]C2)cccc1OC(F)(F)F ZINC001236065005 1084601498 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COc1cc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c(OC)c1 ZINC001237678970 1138751444 /nfs/dbraw/zinc/75/14/44/1138751444.db2.gz RHFMQOMCUSPUMO-UHFFFAOYSA-N 1 0 317.389 2.443 20 10 DECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318448163 1140333860 /nfs/dbraw/zinc/33/38/60/1140333860.db2.gz LKIAWRHRHWVWCP-GOSISDBHSA-N 1 0 323.456 2.218 20 10 DECDRO COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1O ZINC001318835087 1140432310 /nfs/dbraw/zinc/43/23/10/1140432310.db2.gz BKQJHDCZZZQZBR-UONOGXRCSA-N 1 0 321.421 2.073 20 10 DECDRO CCOC(=O)Cn1ccc2c1ncnc2-c1ccc2c[nH+]cn2c1 ZINC001245895293 1140828229 /nfs/dbraw/zinc/82/82/29/1140828229.db2.gz SQADBEGYSGSQEJ-UHFFFAOYSA-N 1 0 321.340 2.309 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC001320342860 1140851923 /nfs/dbraw/zinc/85/19/23/1140851923.db2.gz JUZGZHLEMSITPW-RHSMWYFYSA-N 1 0 320.433 2.167 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC001321242063 1141095603 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Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(O)c1O ZINC000273053148 130086243 /nfs/dbraw/zinc/08/62/43/130086243.db2.gz XBONFXGUWQETFG-GFCCVEGCSA-N 1 0 306.406 2.209 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273368909 130112683 /nfs/dbraw/zinc/11/26/83/130112683.db2.gz FRPONOUZZOFSQY-NWDGAFQWSA-N 1 0 305.378 2.435 20 10 DECDRO O[C@@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCC12CCOCC2 ZINC000282878992 130944589 /nfs/dbraw/zinc/94/45/89/130944589.db2.gz RTZPOJZSQULMOW-FUHWJXTLSA-N 1 0 317.429 2.279 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCS(=O)(=O)C1 ZINC000284055958 131044497 /nfs/dbraw/zinc/04/44/97/131044497.db2.gz JWBAQLRNZOQLSY-CQSZACIVSA-N 1 0 311.447 2.429 20 10 DECDRO Oc1ccccc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000288555571 131330050 /nfs/dbraw/zinc/33/00/50/131330050.db2.gz YFMTYKSVOCTWCZ-CQSZACIVSA-N 1 0 314.385 2.492 20 10 DECDRO Oc1ccccc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000288555567 131330342 /nfs/dbraw/zinc/33/03/42/131330342.db2.gz 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VRZPBAJGVHVKQF-UHFFFAOYSA-N 1 0 319.449 2.124 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c(O)c1OC ZINC000892739505 625532127 /nfs/dbraw/zinc/53/21/27/625532127.db2.gz HPQJJCRCDBBNNN-CQSZACIVSA-N 1 0 321.348 2.372 20 10 DECDRO O=C(NCc1ccccc1O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000323021603 623163902 /nfs/dbraw/zinc/16/39/02/623163902.db2.gz ZNCRXIKNRSCSSD-UHFFFAOYSA-N 1 0 310.397 2.330 20 10 DECDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)cc1C ZINC000840914622 625626409 /nfs/dbraw/zinc/62/64/09/625626409.db2.gz FLGRJCJDZOFFHS-UHFFFAOYSA-N 1 0 308.422 2.073 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)[C@H]1CCn2cncc2C1 ZINC000890760602 623198501 /nfs/dbraw/zinc/19/85/01/623198501.db2.gz VCFYXSGWHHWWPV-JTQLQIEISA-N 1 0 305.765 2.121 20 10 DECDRO CCO[C@@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251157 623797766 /nfs/dbraw/zinc/79/77/66/623797766.db2.gz AENUGBGCUTXDOJ-SJORKVTESA-N 1 0 321.465 2.287 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2)[NH+](C)C)cc1 ZINC000891256948 623803545 /nfs/dbraw/zinc/80/35/45/623803545.db2.gz CDWCBYOVWWPKBJ-QGZVFWFLSA-N 1 0 312.417 2.180 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933671268 624594117 /nfs/dbraw/zinc/59/41/17/624594117.db2.gz XDTMPXKHQGZQCB-SJLPKXTDSA-N 1 0 304.434 2.380 20 10 DECDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OC)c(OC)c1O ZINC000891791816 624604649 /nfs/dbraw/zinc/60/46/49/624604649.db2.gz AWNJFVDMRUXUKM-UHFFFAOYSA-N 1 0 305.378 2.165 20 10 DECDRO CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000891812314 624611833 /nfs/dbraw/zinc/61/18/33/624611833.db2.gz AFBFMSJEUFMRKC-CJNGLKHVSA-N 1 0 304.438 2.207 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000933816126 624627450 /nfs/dbraw/zinc/62/74/50/624627450.db2.gz URYZIFAGDJPWDQ-INIZCTEOSA-N 1 0 317.433 2.351 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000892036545 624754820 /nfs/dbraw/zinc/75/48/20/624754820.db2.gz NDERBHDGCGSWTL-UHFFFAOYSA-N 1 0 311.378 2.183 20 10 DECDRO CCC1([NH+](C)C)CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000892038448 624755000 /nfs/dbraw/zinc/75/50/00/624755000.db2.gz FNHBMIQEKQRCIK-UHFFFAOYSA-N 1 0 318.465 2.327 20 10 DECDRO COc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(O)c1OC ZINC000892100118 624782232 /nfs/dbraw/zinc/78/22/32/624782232.db2.gz CNSZJEXSQYNPFJ-CQSZACIVSA-N 1 0 320.433 2.327 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccccc2Cn2cncn2)c1O ZINC000725847881 625040382 /nfs/dbraw/zinc/04/03/82/625040382.db2.gz VSYACFKUXKGULD-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(O)c1O ZINC000177674174 625058254 /nfs/dbraw/zinc/05/82/54/625058254.db2.gz RANLGQMFAXPQLM-GFCCVEGCSA-N 1 0 306.406 2.258 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc2ccccc2c1O ZINC000892580821 625167205 /nfs/dbraw/zinc/16/72/05/625167205.db2.gz OEFZZACPEXYMDE-CQSZACIVSA-N 1 0 300.402 2.356 20 10 DECDRO CC[C@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465484 625185932 /nfs/dbraw/zinc/18/59/32/625185932.db2.gz OIMFYJBBKVARGS-HNNXBMFYSA-N 1 0 319.449 2.122 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2O ZINC000840884606 625192910 /nfs/dbraw/zinc/19/29/10/625192910.db2.gz RWDDMPYLTDKYEQ-JOYOIKCWSA-N 1 0 313.394 2.246 20 10 DECDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892668316 625255721 /nfs/dbraw/zinc/25/57/21/625255721.db2.gz KJVJVAXWAXYWLI-ZDUSSCGKSA-N 1 0 308.422 2.231 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)C(C)C)c1 ZINC000182394509 625256460 /nfs/dbraw/zinc/25/64/60/625256460.db2.gz XFHNQHXAFVSENX-LBPRGKRZSA-N 1 0 315.435 2.265 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000840933874 634776603 /nfs/dbraw/zinc/77/66/03/634776603.db2.gz KMSLRROXLGAKDW-HNNXBMFYSA-N 1 0 305.466 2.119 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](C)N1CCOCC1 ZINC000921697768 634781132 /nfs/dbraw/zinc/78/11/32/634781132.db2.gz ICZDGQMVAOFTDS-CABCVRRESA-N 1 0 304.434 2.210 20 10 DECDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)NCCc1ccccc1 ZINC000921727726 634811650 /nfs/dbraw/zinc/81/16/50/634811650.db2.gz QVGGCTNLKXJXAO-UHFFFAOYSA-N 1 0 324.424 2.460 20 10 DECDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c(O)c1OC ZINC000893409497 633510699 /nfs/dbraw/zinc/51/06/99/633510699.db2.gz RSPREDCOVPJCRF-JSGCOSHPSA-N 1 0 309.406 2.392 20 10 DECDRO COc1ccc(N2CCN(C(=O)CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000243479892 633816303 /nfs/dbraw/zinc/81/63/03/633816303.db2.gz NNZJJKKBEFJBEM-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c(O)c1OC ZINC000893538263 634221945 /nfs/dbraw/zinc/22/19/45/634221945.db2.gz XGGLHOUXDQKZHO-IRXDYDNUSA-N 1 0 307.390 2.457 20 10 DECDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980512136 635032012 /nfs/dbraw/zinc/03/20/12/635032012.db2.gz VWZYVIPBHQZSGQ-ZDUSSCGKSA-N 1 0 303.366 2.015 20 10 DECDRO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(N(C)C)cc1 ZINC000922014115 635808172 /nfs/dbraw/zinc/80/81/72/635808172.db2.gz FXVYZNCFJNEJTJ-ZDUSSCGKSA-N 1 0 300.406 2.330 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC000922465704 636188439 /nfs/dbraw/zinc/18/84/39/636188439.db2.gz GCKLMCCSEWPDGE-LBPRGKRZSA-N 1 0 309.385 2.205 20 10 DECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922510675 636211161 /nfs/dbraw/zinc/21/11/61/636211161.db2.gz OVAGYPWWRWBQIP-LBPRGKRZSA-N 1 0 311.401 2.451 20 10 DECDRO CCOc1cccc(C[NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)c1O ZINC000186595317 636459351 /nfs/dbraw/zinc/45/93/51/636459351.db2.gz MTYBKBMZVPGPSG-QAPCUYQASA-N 1 0 323.433 2.447 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894229005 636506331 /nfs/dbraw/zinc/50/63/31/636506331.db2.gz DWOLHOIOHRGWOJ-LBPRGKRZSA-N 1 0 320.364 2.373 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480773 636818430 /nfs/dbraw/zinc/81/84/30/636818430.db2.gz ZOLLUTVZJFBVDS-IUCAKERBSA-N 1 0 320.311 2.118 20 10 DECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)C[NH2+]1 ZINC000841856597 636929413 /nfs/dbraw/zinc/92/94/13/636929413.db2.gz JZCVEAUGSSLKBE-MNOVXSKESA-N 1 0 314.480 2.017 20 10 DECDRO COc1cc(C)cc(C[NH2+]Cc2cccc(N(C)C)n2)c1O ZINC000894360050 636939407 /nfs/dbraw/zinc/93/94/07/636939407.db2.gz TVTWXIXFOCHWQA-UHFFFAOYSA-N 1 0 301.390 2.460 20 10 DECDRO Cc1nccnc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894658764 637156640 /nfs/dbraw/zinc/15/66/40/637156640.db2.gz XIHLOEGKRRYTNR-UHFFFAOYSA-N 1 0 320.343 2.091 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c(O)c1OC ZINC000894751937 637194387 /nfs/dbraw/zinc/19/43/87/637194387.db2.gz WJDGYAKVKRFNQR-ZDUSSCGKSA-N 1 0 309.406 2.392 20 10 DECDRO O=C([C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1)N1CCCC1 ZINC000894782440 637210125 /nfs/dbraw/zinc/21/01/25/637210125.db2.gz ZOSDOFCDDMKYPO-LLVKDONJSA-N 1 0 310.344 2.115 20 10 DECDRO CCC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057703 637437826 /nfs/dbraw/zinc/43/78/26/637437826.db2.gz HKGVNEMRVCVPBI-NSHDSACASA-N 1 0 309.366 2.190 20 10 DECDRO CC[C@H](C[NH2+]Cc1c(O)cccc1Br)C(=O)OC ZINC000895139476 637654717 /nfs/dbraw/zinc/65/47/17/637654717.db2.gz LWWYCKMRNHJLGJ-SECBINFHSA-N 1 0 316.195 2.444 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2CCCOC2)cc(F)c1N1CCOCC1 ZINC000839146632 637788855 /nfs/dbraw/zinc/78/88/55/637788855.db2.gz PEHJYZYDQTYJGR-CYBMUJFWSA-N 1 0 312.360 2.070 20 10 DECDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000839185534 637812998 /nfs/dbraw/zinc/81/29/98/637812998.db2.gz VZOZZIFDVMDOLA-KRWDZBQOSA-N 1 0 313.397 2.496 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[S@](=O)C(F)(F)F)c1 ZINC000895256722 637853699 /nfs/dbraw/zinc/85/36/99/637853699.db2.gz IJOQZHKPSZVNJK-SQFXPLBJSA-N 1 0 311.325 2.320 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000839481622 637888085 /nfs/dbraw/zinc/88/80/85/637888085.db2.gz RZSLNGCAZYUWPS-QGZVFWFLSA-N 1 0 301.434 2.243 20 10 DECDRO COc1ccc(N2CCN(C(=O)C3([NH3+])CCCCC3)CC2)cc1 ZINC000237265274 637998161 /nfs/dbraw/zinc/99/81/61/637998161.db2.gz DENHRZDSQFFZNV-UHFFFAOYSA-N 1 0 317.433 2.005 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000840949394 650393607 /nfs/dbraw/zinc/39/36/07/650393607.db2.gz VFZUMIFUKKDOCI-HNNXBMFYSA-N 1 0 317.433 2.335 20 10 DECDRO CCOc1cccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000840960233 650395239 /nfs/dbraw/zinc/39/52/39/650395239.db2.gz HUZWSUCEBXTBHE-UHFFFAOYSA-N 1 0 315.435 2.094 20 10 DECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000895831125 638223859 /nfs/dbraw/zinc/22/38/59/638223859.db2.gz UIXXDVXAJMDINI-VKJFTORMSA-N 1 0 301.386 2.443 20 10 DECDRO COC(=O)COc1ccc(N(C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841020139 650407006 /nfs/dbraw/zinc/40/70/06/650407006.db2.gz KDMVSZXCFWACTN-KGLIPLIRSA-N 1 0 306.406 2.063 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000841042083 650411742 /nfs/dbraw/zinc/41/17/42/650411742.db2.gz HLHKQODCSIRISC-KRWDZBQOSA-N 1 0 314.389 2.450 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc3ccccn23)cc1 ZINC000841042360 650411790 /nfs/dbraw/zinc/41/17/90/650411790.db2.gz IWCXJULKTYEDLD-QGZVFWFLSA-N 1 0 309.417 2.190 20 10 DECDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896113141 638359431 /nfs/dbraw/zinc/35/94/31/638359431.db2.gz ZWXYYQYFMUYNHJ-LLVKDONJSA-N 1 0 320.414 2.479 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c1O ZINC000896241043 638431601 /nfs/dbraw/zinc/43/16/01/638431601.db2.gz TZJMSPDVVLCTLR-ZDUSSCGKSA-N 1 0 303.362 2.472 20 10 DECDRO CCOCc1cc(CN[C@@H](CC[NH3+])C(F)F)ccc1OC ZINC000841073149 650423078 /nfs/dbraw/zinc/42/30/78/650423078.db2.gz DPOISXSIDSFCGW-ZDUSSCGKSA-N 1 0 302.365 2.304 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1O ZINC000896426203 638517118 /nfs/dbraw/zinc/51/71/18/638517118.db2.gz CBYUGVFPYQKOIU-GJZGRUSLSA-N 1 0 322.474 2.379 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3c(O)cccc3OC)C[C@@H]21 ZINC000896448064 638528519 /nfs/dbraw/zinc/52/85/19/638528519.db2.gz AYKRGZRWMRLARU-BFQNTYOBSA-N 1 0 305.374 2.032 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000749126069 638616895 /nfs/dbraw/zinc/61/68/95/638616895.db2.gz LIURNOUWKHXRPC-BBRMVZONSA-N 1 0 301.434 2.276 20 10 DECDRO CCOc1cccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000897028387 639132382 /nfs/dbraw/zinc/13/23/82/639132382.db2.gz YETRQEANTIIPAP-AWEZNQCLSA-N 1 0 320.389 2.111 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cn1ccnc1 ZINC000067500747 639193010 /nfs/dbraw/zinc/19/30/10/639193010.db2.gz GMWHSVJQMSHIIN-INIZCTEOSA-N 1 0 314.433 2.146 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C3CC3)nn2C)c(O)c1OC ZINC000897224716 639259756 /nfs/dbraw/zinc/25/97/56/639259756.db2.gz SQPRRVZCEKOILO-UHFFFAOYSA-N 1 0 317.389 2.310 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000754732604 639465807 /nfs/dbraw/zinc/46/58/07/639465807.db2.gz QWPRPNGZMRDBBD-UHFFFAOYSA-N 1 0 320.433 2.400 20 10 DECDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897354080 639562990 /nfs/dbraw/zinc/56/29/90/639562990.db2.gz RZBDIEODMCPFHH-SNVBAGLBSA-N 1 0 320.414 2.336 20 10 DECDRO CN(C)c1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000756082045 639622704 /nfs/dbraw/zinc/62/27/04/639622704.db2.gz YDSLZZBPEPMHJS-GOSISDBHSA-N 1 0 305.466 2.295 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2O ZINC000756342747 639652181 /nfs/dbraw/zinc/65/21/81/639652181.db2.gz LAQGKNXLYRRXMX-JSGCOSHPSA-N 1 0 308.397 2.392 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CN(C)CCO1 ZINC000756760213 639692667 /nfs/dbraw/zinc/69/26/67/639692667.db2.gz POECNJYJTNSHSA-ZSEWYUTFSA-N 1 0 308.397 2.388 20 10 DECDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000841653157 650530242 /nfs/dbraw/zinc/53/02/42/650530242.db2.gz HKBUAMKXHROIMF-CYBMUJFWSA-N 1 0 304.438 2.021 20 10 DECDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654602 650530284 /nfs/dbraw/zinc/53/02/84/650530284.db2.gz NYKOFHQOPQBFBL-MRXNPFEDSA-N 1 0 304.438 2.036 20 10 DECDRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000841655664 650530993 /nfs/dbraw/zinc/53/09/93/650530993.db2.gz SZTOOYZOPJMBHX-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CC[C@]1(C)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758742097 639991520 /nfs/dbraw/zinc/99/15/20/639991520.db2.gz UATUFWJQGJDHNJ-GOSISDBHSA-N 1 0 303.450 2.491 20 10 DECDRO CN(CCC[NH+](C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809729837 640047539 /nfs/dbraw/zinc/04/75/39/640047539.db2.gz PMQDMEPBHIIQLA-UHFFFAOYSA-N 1 0 301.774 2.337 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000841718272 650550441 /nfs/dbraw/zinc/55/04/41/650550441.db2.gz QIRXEFPGLZAPHN-CQSZACIVSA-N 1 0 304.438 2.036 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000841719700 650551248 /nfs/dbraw/zinc/55/12/48/650551248.db2.gz OVIDSVFHESXBSS-GJZGRUSLSA-N 1 0 318.465 2.425 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC[NH2+]CC1 ZINC000841710250 650546947 /nfs/dbraw/zinc/54/69/47/650546947.db2.gz UZOVIWRBJKUILX-UHFFFAOYSA-N 1 0 316.449 2.086 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000841709370 650546961 /nfs/dbraw/zinc/54/69/61/650546961.db2.gz DXPCPPKHHYMVSN-CABCVRRESA-N 1 0 316.449 2.179 20 10 DECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Cl)cc1O ZINC000841752478 650557013 /nfs/dbraw/zinc/55/70/13/650557013.db2.gz OXXZKVUOYQDVGX-VIFPVBQESA-N 1 0 303.811 2.273 20 10 DECDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759293 650558606 /nfs/dbraw/zinc/55/86/06/650558606.db2.gz MKSORPPZSYBQHW-AWEZNQCLSA-N 1 0 318.465 2.386 20 10 DECDRO CN(Cc1ccccc1O)C(=S)NCC1CC[NH+](C)CC1 ZINC000760467885 640196307 /nfs/dbraw/zinc/19/63/07/640196307.db2.gz MBYBUIGZYCXVFD-UHFFFAOYSA-N 1 0 307.463 2.040 20 10 DECDRO C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841762618 650559294 /nfs/dbraw/zinc/55/92/94/650559294.db2.gz YUBXVZIMTLTGDR-TZMCWYRMSA-N 1 0 322.428 2.018 20 10 DECDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841792756 650565630 /nfs/dbraw/zinc/56/56/30/650565630.db2.gz DXKKTFSOPQULRG-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761223898 640287710 /nfs/dbraw/zinc/28/77/10/640287710.db2.gz UHKUAPMUWRXVJD-TZMCWYRMSA-N 1 0 315.797 2.338 20 10 DECDRO COc1cccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761226951 640288023 /nfs/dbraw/zinc/28/80/23/640288023.db2.gz XXWYQLZLQXTKLO-UHFFFAOYSA-N 1 0 318.417 2.234 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841823674 650571072 /nfs/dbraw/zinc/57/10/72/650571072.db2.gz GILWCWFFRMMCAR-QGZVFWFLSA-N 1 0 318.465 2.378 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000841824204 650571109 /nfs/dbraw/zinc/57/11/09/650571109.db2.gz NNMJBFDZQSELLB-HIFRSBDPSA-N 1 0 304.438 2.001 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000841799563 650567532 /nfs/dbraw/zinc/56/75/32/650567532.db2.gz XVTIOQANRBECNL-AWEZNQCLSA-N 1 0 322.428 2.305 20 10 DECDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000841831078 650574737 /nfs/dbraw/zinc/57/47/37/650574737.db2.gz ASDCWSXKAMDUTI-JKSUJKDBSA-N 1 0 314.433 2.132 20 10 DECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1[NH3+] ZINC000841858572 650582193 /nfs/dbraw/zinc/58/21/93/650582193.db2.gz ZZODDXQJGKULEL-GHMZBOCLSA-N 1 0 314.480 2.004 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2cnc(F)cn2)[NH+](C)C)cc1 ZINC000897520930 640536539 /nfs/dbraw/zinc/53/65/39/640536539.db2.gz AQNNJXJVERZIPI-CQSZACIVSA-N 1 0 303.385 2.397 20 10 DECDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(N(C)C)cc1 ZINC000841880813 650591338 /nfs/dbraw/zinc/59/13/38/650591338.db2.gz HYHPVHZVOQQSJR-GWCFXTLKSA-N 1 0 314.380 2.095 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000841882140 650592217 /nfs/dbraw/zinc/59/22/17/650592217.db2.gz WPOPLIUVDNKHHB-QRTARXTBSA-N 1 0 316.449 2.207 20 10 DECDRO Nc1ccc(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000841914159 650600945 /nfs/dbraw/zinc/60/09/45/650600945.db2.gz ZFMNGOYPQLSHMO-UHFFFAOYSA-N 1 0 316.449 2.127 20 10 DECDRO CC[NH2+]CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841934695 650605735 /nfs/dbraw/zinc/60/57/35/650605735.db2.gz GULSMMVPRKFQCS-UHFFFAOYSA-N 1 0 318.465 2.428 20 10 DECDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841934414 650605786 /nfs/dbraw/zinc/60/57/86/650605786.db2.gz UHYIJRRGYDQCMS-UHFFFAOYSA-N 1 0 318.465 2.256 20 10 DECDRO C[C@@H](C[NH3+])CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841962979 650614227 /nfs/dbraw/zinc/61/42/27/650614227.db2.gz NLXLFOIXIWXUFY-HNNXBMFYSA-N 1 0 318.465 2.413 20 10 DECDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841944503 650607960 /nfs/dbraw/zinc/60/79/60/650607960.db2.gz JNCSVDLZSKNCCS-HNNXBMFYSA-N 1 0 305.422 2.054 20 10 DECDRO c1cnc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cn1 ZINC000765609531 640800996 /nfs/dbraw/zinc/80/09/96/640800996.db2.gz PRJLCOLGEMIKPP-UHFFFAOYSA-N 1 0 310.401 2.170 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841946283 650609088 /nfs/dbraw/zinc/60/90/88/650609088.db2.gz IQVPCIKIIOGADJ-HNNXBMFYSA-N 1 0 305.422 2.441 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(Cl)c1 ZINC000897623347 640873347 /nfs/dbraw/zinc/87/33/47/640873347.db2.gz CPTFSRTYMSONAR-ZBEGNZNMSA-N 1 0 308.809 2.441 20 10 DECDRO C[C@@H]([NH3+])CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841984474 650619674 /nfs/dbraw/zinc/61/96/74/650619674.db2.gz KLBYWIJFTGAQKF-CQSZACIVSA-N 1 0 304.438 2.166 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000841989672 650621114 /nfs/dbraw/zinc/62/11/14/650621114.db2.gz WDSMWTFKJOURSQ-HIFRSBDPSA-N 1 0 305.422 2.454 20 10 DECDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1CCS(=O)(=O)CC1 ZINC000767354369 640968400 /nfs/dbraw/zinc/96/84/00/640968400.db2.gz JBSLFQIMAYFAAG-UHFFFAOYSA-N 1 0 324.490 2.399 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000841996228 650622153 /nfs/dbraw/zinc/62/21/53/650622153.db2.gz RVIQWQIVPMRGBS-VXGBXAGGSA-N 1 0 309.410 2.279 20 10 DECDRO OCCC1CC([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000898015045 641001550 /nfs/dbraw/zinc/00/15/50/641001550.db2.gz IBSHWEBAXROCQN-UHFFFAOYSA-N 1 0 300.196 2.405 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000898115257 641024653 /nfs/dbraw/zinc/02/46/53/641024653.db2.gz FADNFOOFOSGDFQ-INIZCTEOSA-N 1 0 307.390 2.219 20 10 DECDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842004246 650625207 /nfs/dbraw/zinc/62/52/07/650625207.db2.gz JOFPNVJUZQAXHH-CHWSQXEVSA-N 1 0 304.438 2.162 20 10 DECDRO CNC(=O)c1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000768209414 641059032 /nfs/dbraw/zinc/05/90/32/641059032.db2.gz XIYMIHKVRJJNJE-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOc3ccccc3C1)[C@H](O)CO2 ZINC000768441698 641081256 /nfs/dbraw/zinc/08/12/56/641081256.db2.gz FYIGYDRSUPYBHE-MRXNPFEDSA-N 1 0 313.353 2.213 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466275 641086013 /nfs/dbraw/zinc/08/60/13/641086013.db2.gz XKHNRCNMFPCEOR-GUYCJALGSA-N 1 0 319.401 2.067 20 10 DECDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842008962 650626297 /nfs/dbraw/zinc/62/62/97/650626297.db2.gz YJWCQCIHQLBASU-CHWSQXEVSA-N 1 0 317.389 2.433 20 10 DECDRO CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989839272 641248152 /nfs/dbraw/zinc/24/81/52/641248152.db2.gz XGPVFCAVGYPTQK-ZWNOBZJWSA-N 1 0 303.366 2.062 20 10 DECDRO CC[C@@H](C)C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000771818947 641555101 /nfs/dbraw/zinc/55/51/01/641555101.db2.gz NYEVBKGWSVXQLR-MRXNPFEDSA-N 1 0 305.466 2.453 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000842222989 650672951 /nfs/dbraw/zinc/67/29/51/650672951.db2.gz ZXVCIBSGUHYVPT-CQSZACIVSA-N 1 0 324.490 2.159 20 10 DECDRO Cc1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1C ZINC000898448443 641660681 /nfs/dbraw/zinc/66/06/81/641660681.db2.gz SKDWTXZMILCQNA-GOSISDBHSA-N 1 0 315.465 2.187 20 10 DECDRO Cc1ncoc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448793 641661116 /nfs/dbraw/zinc/66/11/16/641661116.db2.gz XGOHMXSQVPFIKR-MRXNPFEDSA-N 1 0 302.422 2.442 20 10 DECDRO Cc1cnn(C)c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450922 641662175 /nfs/dbraw/zinc/66/21/75/641662175.db2.gz VRVSUDKMCYNQCF-GOSISDBHSA-N 1 0 315.465 2.187 20 10 DECDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773103678 641729121 /nfs/dbraw/zinc/72/91/21/641729121.db2.gz JSBPCMYCBJWXQB-XJKSGUPXSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773369817 641764866 /nfs/dbraw/zinc/76/48/66/641764866.db2.gz DSGRTTWLODSVEU-CYBMUJFWSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773370059 641764966 /nfs/dbraw/zinc/76/49/66/641764966.db2.gz YKLGIVHVPDVXMN-ZFWWWQNUSA-N 1 0 304.438 2.207 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(CC(=O)NC)CC2)cc1 ZINC000773754055 641819955 /nfs/dbraw/zinc/81/99/55/641819955.db2.gz JXQSKDIBRPYXHT-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000773818193 641826439 /nfs/dbraw/zinc/82/64/39/641826439.db2.gz OAQWDSDOKJCABN-QGZVFWFLSA-N 1 0 301.434 2.339 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000773843582 641830463 /nfs/dbraw/zinc/83/04/63/641830463.db2.gz DIQCGLPMWAAFOG-MRXNPFEDSA-N 1 0 316.449 2.179 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000773889410 641836266 /nfs/dbraw/zinc/83/62/66/641836266.db2.gz UYZCPNGHEJQXDU-MRXNPFEDSA-N 1 0 319.493 2.420 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ncccn1 ZINC000774487283 641909508 /nfs/dbraw/zinc/90/95/08/641909508.db2.gz YPDWSBVWWWVCGQ-STQMWFEESA-N 1 0 313.405 2.220 20 10 DECDRO C[C@@H](CF)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100948 641941919 /nfs/dbraw/zinc/94/19/19/641941919.db2.gz DLQRKDWWWHILDQ-SWLSCSKDSA-N 1 0 310.417 2.013 20 10 DECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000775702281 642081593 /nfs/dbraw/zinc/08/15/93/642081593.db2.gz UCEXTVJEOWDPMS-GFCCVEGCSA-N 1 0 316.323 2.296 20 10 DECDRO COc1cc(O)c(C[NH2+]C(C)(C)c2cnn(C)c2)cc1OC ZINC000776177888 642139705 /nfs/dbraw/zinc/13/97/05/642139705.db2.gz VIWJUNVLWXZMJC-UHFFFAOYSA-N 1 0 305.378 2.168 20 10 DECDRO C[C@@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776249422 642149227 /nfs/dbraw/zinc/14/92/27/642149227.db2.gz ONJMPHZGKHMKQN-CQSZACIVSA-N 1 0 316.449 2.375 20 10 DECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000776485451 642176777 /nfs/dbraw/zinc/17/67/77/642176777.db2.gz RKXIJHSDLRVMQJ-GJZGRUSLSA-N 1 0 311.353 2.018 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000776867890 642214258 /nfs/dbraw/zinc/21/42/58/642214258.db2.gz NXMCSKHMDVPYLQ-HZUKXOBISA-N 1 0 313.369 2.002 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC000900399735 642356795 /nfs/dbraw/zinc/35/67/95/642356795.db2.gz IMIDWBWZYTVIQM-UHFFFAOYSA-N 1 0 301.434 2.197 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000779030865 642456483 /nfs/dbraw/zinc/45/64/83/642456483.db2.gz XTWZFINIFKZDSD-IUCAKERBSA-N 1 0 315.211 2.378 20 10 DECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779020683 642457038 /nfs/dbraw/zinc/45/70/38/642457038.db2.gz OCVWTIZTLOTFLP-AWEZNQCLSA-N 1 0 310.413 2.303 20 10 DECDRO CCOc1ccc(CN2CCNC(=O)[C@H]2CC(C)C)c(O)c1 ZINC000783728594 643043387 /nfs/dbraw/zinc/04/33/87/643043387.db2.gz MLGZIXSENVASIK-OAHLLOKOSA-N 1 0 306.406 2.137 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711142 650809244 /nfs/dbraw/zinc/80/92/44/650809244.db2.gz ZJGVPUDTXCJDDO-DGCLKSJQSA-N 1 0 312.360 2.068 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000903448818 643355576 /nfs/dbraw/zinc/35/55/76/643355576.db2.gz TZMRMTGUIJIPHU-KBXCAEBGSA-N 1 0 315.465 2.440 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000786949914 643432714 /nfs/dbraw/zinc/43/27/14/643432714.db2.gz KKWRQWOZYYAKAK-CYBMUJFWSA-N 1 0 310.463 2.228 20 10 DECDRO COc1ccc(N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000903726192 643440809 /nfs/dbraw/zinc/44/08/09/643440809.db2.gz KKVYGPCJPSSIOB-OAHLLOKOSA-N 1 0 320.433 2.299 20 10 DECDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000789969406 643797049 /nfs/dbraw/zinc/79/70/49/643797049.db2.gz SQFDMJCGZUOTFQ-NSHDSACASA-N 1 0 324.396 2.477 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843045051 650875895 /nfs/dbraw/zinc/87/58/95/650875895.db2.gz HEYRCDBFXUDNMP-CRAIPNDOSA-N 1 0 303.450 2.225 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000791001816 643918309 /nfs/dbraw/zinc/91/83/09/643918309.db2.gz DOHLUWDEHORNKP-AWEZNQCLSA-N 1 0 305.349 2.233 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccnn2C)cc1OC ZINC000905740458 644027197 /nfs/dbraw/zinc/02/71/97/644027197.db2.gz JNMXQWXGAQRSNO-AWEZNQCLSA-N 1 0 317.389 2.480 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)c(C(F)(F)F)c1 ZINC000793030533 644182340 /nfs/dbraw/zinc/18/23/40/644182340.db2.gz WOFSAVBMBRTJNN-AWEZNQCLSA-N 1 0 318.339 2.012 20 10 DECDRO [NH3+]CCN(CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000843121755 650900420 /nfs/dbraw/zinc/90/04/20/650900420.db2.gz KTKFJLGPTTWNPH-UHFFFAOYSA-N 1 0 314.385 2.124 20 10 DECDRO Fc1cc(C[NH+]2CC([C@H]3CCOC3)C2)ccc1N1CCOCC1 ZINC000793256388 644216511 /nfs/dbraw/zinc/21/65/11/644216511.db2.gz VGWQQXIVCWRWEL-HNNXBMFYSA-N 1 0 320.408 2.131 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc3c(c(OC)c2)OCO3)c(O)c1 ZINC000793386488 644243764 /nfs/dbraw/zinc/24/37/64/644243764.db2.gz SURDBDMSISMUQZ-UHFFFAOYSA-N 1 0 317.341 2.428 20 10 DECDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000794658632 644454995 /nfs/dbraw/zinc/45/49/95/644454995.db2.gz CKRHVYJMWDHGNY-SCLBCKFNSA-N 1 0 314.385 2.320 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000797068849 644832523 /nfs/dbraw/zinc/83/25/23/644832523.db2.gz HCOFKLDTKUJNMX-OLZOCXBDSA-N 1 0 310.463 2.369 20 10 DECDRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000797068851 644833168 /nfs/dbraw/zinc/83/31/68/644833168.db2.gz HCOFKLDTKUJNMX-STQMWFEESA-N 1 0 310.463 2.369 20 10 DECDRO 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O=S1(=O)C[C@H](C[NH2+]Cc2ccccc2O)c2ccccc21 ZINC000824514627 648600114 /nfs/dbraw/zinc/60/01/14/648600114.db2.gz AEWFYRPWADLKHL-ZDUSSCGKSA-N 1 0 303.383 2.053 20 10 DECDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000824584168 648616558 /nfs/dbraw/zinc/61/65/58/648616558.db2.gz WFCKFOMXQYNTNF-KRWDZBQOSA-N 1 0 314.429 2.482 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000825045078 648691592 /nfs/dbraw/zinc/69/15/92/648691592.db2.gz BLZWPMPCTWRPEC-WMLDXEAASA-N 1 0 301.390 2.444 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000825045026 648691653 /nfs/dbraw/zinc/69/16/53/648691653.db2.gz ATQQELCHBDPRPN-HOCLYGCPSA-N 1 0 301.390 2.444 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000825130841 648708041 /nfs/dbraw/zinc/70/80/41/648708041.db2.gz GUMLKDXCIJSXBW-AEFFLSMTSA-N 1 0 302.418 2.180 20 10 DECDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825294125 648737338 /nfs/dbraw/zinc/73/73/38/648737338.db2.gz 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ZINC000826972501 648954674 /nfs/dbraw/zinc/95/46/74/648954674.db2.gz DZEYROBDJNZYSV-DLBZAZTESA-N 1 0 318.417 2.097 20 10 DECDRO COCC1(C2CCC2)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000827012536 648960230 /nfs/dbraw/zinc/96/02/30/648960230.db2.gz ZYIQLPAVZUDMLW-UHFFFAOYSA-N 1 0 305.374 2.369 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+](C)CC2CN(C)C2)c1O ZINC000827124822 648976348 /nfs/dbraw/zinc/97/63/48/648976348.db2.gz FGOAMSSWYUENGB-UHFFFAOYSA-N 1 0 313.239 2.457 20 10 DECDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000827634385 649060107 /nfs/dbraw/zinc/06/01/07/649060107.db2.gz NZAOQVSJIXLSQA-LBPRGKRZSA-N 1 0 308.809 2.490 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1F ZINC000827900574 649102642 /nfs/dbraw/zinc/10/26/42/649102642.db2.gz DWYKTFSCIDLCAE-UHFFFAOYSA-N 1 0 313.376 2.425 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C2(CO)CCOCC2)cc1 ZINC000827907820 649104313 /nfs/dbraw/zinc/10/43/13/649104313.db2.gz HKLLBKBYSOLCBW-PLNGDYQASA-N 1 0 304.434 2.239 20 10 DECDRO COC(=O)C1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000828669857 649207860 /nfs/dbraw/zinc/20/78/60/649207860.db2.gz SQQRCJZHSLWBMT-AWEZNQCLSA-N 1 0 318.417 2.127 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000828667190 649208036 /nfs/dbraw/zinc/20/80/36/649208036.db2.gz NXRFAJNJTMLZFD-WBMJQRKESA-N 1 0 314.385 2.321 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)CSC)c1O ZINC000184709196 649352770 /nfs/dbraw/zinc/35/27/70/649352770.db2.gz ABCQYELOCPHZDZ-CYBMUJFWSA-N 1 0 305.827 2.258 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1N(C)C ZINC000830823589 649501752 /nfs/dbraw/zinc/50/17/52/649501752.db2.gz QGSBSXZNKDXNOH-YQVWRLOYSA-N 1 0 318.461 2.423 20 10 DECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754060 649638319 /nfs/dbraw/zinc/63/83/19/649638319.db2.gz UBSLJFMXDPNGRP-ZQIUZPCESA-N 1 0 319.449 2.011 20 10 DECDRO COCCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000832266878 649690646 /nfs/dbraw/zinc/69/06/46/649690646.db2.gz KISZMOKWXJEFLY-MRXNPFEDSA-N 1 0 319.449 2.075 20 10 DECDRO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000844176792 651086470 /nfs/dbraw/zinc/08/64/70/651086470.db2.gz UNGBSOFXZOEXMS-AWEZNQCLSA-N 1 0 319.449 2.218 20 10 DECDRO OC[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCc2ccccc21 ZINC000846010028 651301293 /nfs/dbraw/zinc/30/12/93/651301293.db2.gz DEMGOGHETHVDDF-GOSISDBHSA-N 1 0 301.361 2.497 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1F ZINC000846049634 651304474 /nfs/dbraw/zinc/30/44/74/651304474.db2.gz OTRUVNJDRNUKOG-QGZVFWFLSA-N 1 0 310.413 2.303 20 10 DECDRO CCn1cc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)cn1 ZINC000846051486 651304513 /nfs/dbraw/zinc/30/45/13/651304513.db2.gz IAKWYZBZHKVSHZ-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000846057672 651304957 /nfs/dbraw/zinc/30/49/57/651304957.db2.gz ZABVEPYCWQBOEQ-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO CCON(C)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000846065081 651305669 /nfs/dbraw/zinc/30/56/69/651305669.db2.gz PRZGUXWNOCBUGJ-UHFFFAOYSA-N 1 0 305.422 2.176 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000846074393 651306612 /nfs/dbraw/zinc/30/66/12/651306612.db2.gz XADINKWJEPSCAR-MJSXRHKHSA-N 1 0 313.445 2.366 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1O ZINC000846137007 651310279 /nfs/dbraw/zinc/31/02/79/651310279.db2.gz PYGGTKXABZUATN-GOEBONIOSA-N 1 0 322.449 2.408 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1O ZINC000846145328 651310720 /nfs/dbraw/zinc/31/07/20/651310720.db2.gz NYXYQWTYSZCECQ-ZIAGYGMSSA-N 1 0 309.406 2.495 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000846663428 651343919 /nfs/dbraw/zinc/34/39/19/651343919.db2.gz IRSZEWDKPNKZLJ-GVDBMIGSSA-N 1 0 301.434 2.305 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000846677928 651345273 /nfs/dbraw/zinc/34/52/73/651345273.db2.gz SXWTZLROWURAJV-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CC[C@@H]2CCNC2=O)cc1 ZINC000846766790 651350295 /nfs/dbraw/zinc/35/02/95/651350295.db2.gz WUOVVQLWUFIDBM-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1F ZINC000848526484 651467477 /nfs/dbraw/zinc/46/74/77/651467477.db2.gz YVECQLNPNDSLAX-INIZCTEOSA-N 1 0 321.440 2.235 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000848552891 651470242 /nfs/dbraw/zinc/47/02/42/651470242.db2.gz PMMJBGMDYZBDMQ-QNSHHTMESA-N 1 0 316.195 2.337 20 10 DECDRO CC[N@H+](C)C[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000848674658 651487156 /nfs/dbraw/zinc/48/71/56/651487156.db2.gz HZDXUUYAEWDKHY-CQSZACIVSA-N 1 0 305.447 2.492 20 10 DECDRO C[N@@H+]1CCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854515066 651492857 /nfs/dbraw/zinc/49/28/57/651492857.db2.gz NQAATMXMDYHOAB-CQSZACIVSA-N 1 0 321.384 2.429 20 10 DECDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000112466420 651525077 /nfs/dbraw/zinc/52/50/77/651525077.db2.gz NMTVVPKAYDGGEX-CYBMUJFWSA-N 1 0 323.437 2.493 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000848913688 651558781 /nfs/dbraw/zinc/55/87/81/651558781.db2.gz BMUJILZIERMHMI-ZACQAIPSSA-N 1 0 305.418 2.316 20 10 DECDRO [NH2+]=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCCO1 ZINC000849010962 651581191 /nfs/dbraw/zinc/58/11/91/651581191.db2.gz FHHUFYTXUNRUSW-CYBMUJFWSA-N 1 0 303.406 2.064 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(O)c1O ZINC000855162593 651637501 /nfs/dbraw/zinc/63/75/01/651637501.db2.gz YWRAONMOWSMQSA-LBPRGKRZSA-N 1 0 306.406 2.256 20 10 DECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855899383 651803847 /nfs/dbraw/zinc/80/38/47/651803847.db2.gz KOVMAHQEXZZADB-SDQPKGBYSA-N 1 0 318.417 2.348 20 10 DECDRO COc1cc(C[NH2+][C@H]2CCCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000850026232 651807397 /nfs/dbraw/zinc/80/73/97/651807397.db2.gz RVKAEJCAQVYWJG-HNNXBMFYSA-N 1 0 320.433 2.457 20 10 DECDRO COc1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850284245 651887428 /nfs/dbraw/zinc/88/74/28/651887428.db2.gz BKHQOITYLFYSOP-NHYWBVRUSA-N 1 0 320.433 2.313 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnn(C)c3Cl)C2)cc1 ZINC000850346588 651905013 /nfs/dbraw/zinc/90/50/13/651905013.db2.gz HQOSMEXQDJFRLD-ZDUSSCGKSA-N 1 0 320.824 2.451 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](COC)C2CCOCC2)c1O ZINC000850351838 651907945 /nfs/dbraw/zinc/90/79/45/651907945.db2.gz VMQBHJNNYMHNMP-HNNXBMFYSA-N 1 0 309.406 2.322 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CS1(=O)=O ZINC000850368733 651913653 /nfs/dbraw/zinc/91/36/53/651913653.db2.gz PJTICMPFRUUHHI-BXKDBHETSA-N 1 0 303.811 2.101 20 10 DECDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000856410737 651922456 /nfs/dbraw/zinc/92/24/56/651922456.db2.gz ODEYOKHDDFWYGB-GFCCVEGCSA-N 1 0 324.446 2.169 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000850474774 651935229 /nfs/dbraw/zinc/93/52/29/651935229.db2.gz QGMHLRNPEWQSCE-GJZGRUSLSA-N 1 0 301.438 2.262 20 10 DECDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850487780 651937811 /nfs/dbraw/zinc/93/78/11/651937811.db2.gz JVSJLVIWAIQNJN-GUYCJALGSA-N 1 0 322.424 2.474 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3cnccn3)C2)cc1 ZINC000850486703 651937894 /nfs/dbraw/zinc/93/78/94/651937894.db2.gz JNEBJAOXGTVNQG-LSDHHAIUSA-N 1 0 312.417 2.285 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cc3cnccn3)C2)cc1 ZINC000850486697 651938050 /nfs/dbraw/zinc/93/80/50/651938050.db2.gz JNEBJAOXGTVNQG-GJZGRUSLSA-N 1 0 312.417 2.285 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000850558343 651952764 /nfs/dbraw/zinc/95/27/64/651952764.db2.gz QIVCTVBTAJZABK-NSHDSACASA-N 1 0 313.419 2.019 20 10 DECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567862 651954039 /nfs/dbraw/zinc/95/40/39/651954039.db2.gz LBCWWBYLWDKUBF-KBXCAEBGSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(C)n1-c1ccccn1 ZINC000857009267 652025911 /nfs/dbraw/zinc/02/59/11/652025911.db2.gz XRTNOLRZPPZPDC-BEFAXECRSA-N 1 0 324.428 2.443 20 10 DECDRO C[N@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1O ZINC000109770143 652072655 /nfs/dbraw/zinc/07/26/55/652072655.db2.gz LKOGYBSKRWKRJR-UHFFFAOYSA-N 1 0 302.349 2.280 20 10 DECDRO CSC[C@@H](CCO)[NH2+]Cc1c(O)cccc1Br ZINC000858144792 652265073 /nfs/dbraw/zinc/26/50/73/652265073.db2.gz UVIWTZSMNQTEBM-SECBINFHSA-N 1 0 320.252 2.358 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000851672028 652203944 /nfs/dbraw/zinc/20/39/44/652203944.db2.gz YLDQWWSASVEGMN-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)ccc1N1CCCCC1 ZINC000858296358 652298587 /nfs/dbraw/zinc/29/85/87/652298587.db2.gz NDBQTRAXRBEHPL-GASCZTMLSA-N 1 0 319.405 2.446 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000858311360 652302249 /nfs/dbraw/zinc/30/22/49/652302249.db2.gz HUQJUMDTNPMWHW-LSDHHAIUSA-N 1 0 305.422 2.373 20 10 DECDRO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434777 652335406 /nfs/dbraw/zinc/33/54/06/652335406.db2.gz PEWSIDWQQVQQFH-MLGOLLRUSA-N 1 0 315.417 2.389 20 10 DECDRO Cc1cc(C[N@H+](CCOCCO)C2CCC2)ccc1N(C)C ZINC000852289826 652378290 /nfs/dbraw/zinc/37/82/90/652378290.db2.gz DFNWEHOITRBJBX-UHFFFAOYSA-N 1 0 306.450 2.424 20 10 DECDRO CCOC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000852726079 652444942 /nfs/dbraw/zinc/44/49/42/652444942.db2.gz GHOKWCUIYNZLEH-UHFFFAOYSA-N 1 0 320.433 2.345 20 10 DECDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852900882 652477513 /nfs/dbraw/zinc/47/75/13/652477513.db2.gz UTHTWPLQTDFJKE-CQSZACIVSA-N 1 0 319.449 2.155 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cn3ccnn3)C1)CCCC2 ZINC000853525799 652562473 /nfs/dbraw/zinc/56/24/73/652562473.db2.gz SYYATFDELWBDBF-AWEZNQCLSA-N 1 0 312.417 2.385 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]2N1 ZINC000853558193 652567450 /nfs/dbraw/zinc/56/74/50/652567450.db2.gz OUTUYBMKUNMGTI-DOTOQJQBSA-N 1 0 314.429 2.372 20 10 DECDRO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853576948 652571464 /nfs/dbraw/zinc/57/14/64/652571464.db2.gz GQKYDIQYNWGJLP-BLLLJJGKSA-N 1 0 319.401 2.352 20 10 DECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000392788537 685450327 /nfs/dbraw/zinc/45/03/27/685450327.db2.gz KMTWZUREEGMEAN-QAPCUYQASA-N 1 0 304.434 2.164 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1cc(Cl)ccc1O ZINC000858579953 685560477 /nfs/dbraw/zinc/56/04/77/685560477.db2.gz IYUYJBUCZNMKHN-CABZTGNLSA-N 1 0 300.786 2.495 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCN2CCOCC2)cc1 ZINC000120130929 684092570 /nfs/dbraw/zinc/09/25/70/684092570.db2.gz VWOVTYZQDIBPFT-UHFFFAOYSA-N 1 0 305.466 2.297 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000121219447 684106994 /nfs/dbraw/zinc/10/69/94/684106994.db2.gz NJFAXAVPFGUQTC-LLVKDONJSA-N 1 0 300.358 2.351 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCC[S@](C)=O)CC2)cc1 ZINC000126867148 684157880 /nfs/dbraw/zinc/15/78/80/684157880.db2.gz SLVMLFMJENJUSY-OAQYLSRUSA-N 1 0 310.463 2.022 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(C)n1-c1ccccn1 ZINC000128664437 684172559 /nfs/dbraw/zinc/17/25/59/684172559.db2.gz QPJVUQONVWYSTN-HZPDHXFCSA-N 1 0 312.417 2.489 20 10 DECDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000188965608 684369394 /nfs/dbraw/zinc/36/93/94/684369394.db2.gz WYDZIOASMPXHSP-OAHLLOKOSA-N 1 0 315.369 2.123 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccc(C)cc2)c1 ZINC000191680953 684435182 /nfs/dbraw/zinc/43/51/82/684435182.db2.gz ZLMNCZDJEUWKGN-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(F)F)C[C@H]2C)cc1C ZINC001054307196 693922489 /nfs/dbraw/zinc/92/24/89/693922489.db2.gz CPZREACHTGQGIY-YPMHNXCESA-N 1 0 312.360 2.205 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861686086 686169518 /nfs/dbraw/zinc/16/95/18/686169518.db2.gz MFZRKDVUONDNJE-ZFWWWQNUSA-N 1 0 305.422 2.454 20 10 DECDRO CCOc1cccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862431192 686301302 /nfs/dbraw/zinc/30/13/02/686301302.db2.gz FLOPQBZTEXLDMH-SFHVURJKSA-N 1 0 317.385 2.494 20 10 DECDRO COC(=O)Cc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000862448215 686303876 /nfs/dbraw/zinc/30/38/76/686303876.db2.gz VLVPEVSOUHUWBK-UHFFFAOYSA-N 1 0 315.369 2.406 20 10 DECDRO Fc1cc(CN[C@@H]2CC[NH2+]C23CCC3)ccc1N1CCOCC1 ZINC000863481514 686508200 /nfs/dbraw/zinc/50/82/00/686508200.db2.gz FVJKKERWLIEJPV-QGZVFWFLSA-N 1 0 319.424 2.037 20 10 DECDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000863546856 686519127 /nfs/dbraw/zinc/51/91/27/686519127.db2.gz NUFTVMWYALPJFI-DVOMOZLQSA-N 1 0 307.413 2.063 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccccc1O ZINC000865269107 687163536 /nfs/dbraw/zinc/16/35/36/687163536.db2.gz AELBUUHWAHSGBK-QWHCGFSZSA-N 1 0 307.463 2.402 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872210121 688953549 /nfs/dbraw/zinc/95/35/49/688953549.db2.gz LOCHQVREUQPRBW-YOEHRIQHSA-N 1 0 308.466 2.104 20 10 DECDRO CN1CCCC[C@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1=O ZINC000872673905 689062247 /nfs/dbraw/zinc/06/22/47/689062247.db2.gz SAEAGSIBDVTSBX-INIZCTEOSA-N 1 0 302.418 2.324 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1C ZINC000872806932 689098536 /nfs/dbraw/zinc/09/85/36/689098536.db2.gz HRCROFYJNYKVKQ-CALCHBBNSA-N 1 0 323.458 2.266 20 10 DECDRO COc1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1Cn1cccn1 ZINC000873049251 689148725 /nfs/dbraw/zinc/14/87/25/689148725.db2.gz DCIMYESIBPCXJC-SFHVURJKSA-N 1 0 315.417 2.456 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CCO)cc1Cn1cccn1 ZINC000873066060 689152906 /nfs/dbraw/zinc/15/29/06/689152906.db2.gz QBSWFNYNBWCQQJ-CQSZACIVSA-N 1 0 303.406 2.048 20 10 DECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873106565 689159296 /nfs/dbraw/zinc/15/92/96/689159296.db2.gz AODSTINAXGRZNN-REMYHPOOSA-N 1 0 315.417 2.357 20 10 DECDRO COc1ccc(C[NH2+]CCC(C)(C)O)cc1Cn1cccn1 ZINC000873108587 689159331 /nfs/dbraw/zinc/15/93/31/689159331.db2.gz OSQKLJIQHRTLMU-UHFFFAOYSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1Cn1cccn1 ZINC000873109567 689159621 /nfs/dbraw/zinc/15/96/21/689159621.db2.gz YDMXTVOGHLLBME-DLBZAZTESA-N 1 0 315.417 2.189 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)c1O ZINC000930919103 694273058 /nfs/dbraw/zinc/27/30/58/694273058.db2.gz SQJHAFXNIXACHV-BFVZDQMLSA-N 1 0 322.380 2.208 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)c1O ZINC000930919106 694273874 /nfs/dbraw/zinc/27/38/74/694273874.db2.gz SQJHAFXNIXACHV-RULNRJAQSA-N 1 0 322.380 2.208 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000875090747 689569695 /nfs/dbraw/zinc/56/96/95/689569695.db2.gz BDHFZXBQWMFZDS-CABCVRRESA-N 1 0 303.406 2.127 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875092245 689570062 /nfs/dbraw/zinc/57/00/62/689570062.db2.gz PVECBCSZKTUCBD-ZIAGYGMSSA-N 1 0 301.390 2.044 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C[N@@H+]1C1CC1 ZINC000875359245 689613028 /nfs/dbraw/zinc/61/30/28/689613028.db2.gz NNKHLADVILANOJ-DGCLKSJQSA-N 1 0 301.390 2.043 20 10 DECDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876610456 689875765 /nfs/dbraw/zinc/87/57/65/689875765.db2.gz ZWSSKFPCXAQVTE-SFHVURJKSA-N 1 0 304.434 2.259 20 10 DECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCCSc1nccs1 ZINC000876661068 689893270 /nfs/dbraw/zinc/89/32/70/689893270.db2.gz ASPUUAVENHOTLU-RXNFCKPNSA-N 1 0 311.476 2.297 20 10 DECDRO Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876739384 689922947 /nfs/dbraw/zinc/92/29/47/689922947.db2.gz FBYSXXUDNPRIHY-UHFFFAOYSA-N 1 0 305.353 2.182 20 10 DECDRO OC1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000876740363 689923023 /nfs/dbraw/zinc/92/30/23/689923023.db2.gz COLMJXDVDJAZLP-HDICACEKSA-N 1 0 302.418 2.011 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCc3nccs3)cc2)CC1 ZINC000876991813 689992559 /nfs/dbraw/zinc/99/25/59/689992559.db2.gz FZUSXUVEHCPNSK-UHFFFAOYSA-N 1 0 317.458 2.437 20 10 DECDRO CCC(CC)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877037687 690004164 /nfs/dbraw/zinc/00/41/64/690004164.db2.gz VJVCRQXZCHWFJS-UHFFFAOYSA-N 1 0 306.450 2.288 20 10 DECDRO CO[C@H](C[NH2+]CCCSc1nccs1)[C@H]1CCOC1 ZINC000877061950 690010627 /nfs/dbraw/zinc/01/06/27/690010627.db2.gz WDNOGNPYTDZLND-NWDGAFQWSA-N 1 0 302.465 2.266 20 10 DECDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccn1 ZINC000877170708 690036604 /nfs/dbraw/zinc/03/66/04/690036604.db2.gz TYBYGQQEZIQLGX-GASCZTMLSA-N 1 0 310.401 2.066 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)n1-c1ccccn1 ZINC000877282444 690065577 /nfs/dbraw/zinc/06/55/77/690065577.db2.gz LXLPGTTZVHGGTH-IAGOWNOFSA-N 1 0 324.428 2.456 20 10 DECDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877321231 690076074 /nfs/dbraw/zinc/07/60/74/690076074.db2.gz GSKHXHCZYDSSQX-QGZVFWFLSA-N 1 0 306.450 2.144 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CCC4(CCO4)CC3)cc2)CC1 ZINC000877501119 690132739 /nfs/dbraw/zinc/13/27/39/690132739.db2.gz ITBMWUKDTCEWIJ-UHFFFAOYSA-N 1 0 316.445 2.403 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000877518386 690138510 /nfs/dbraw/zinc/13/85/10/690138510.db2.gz IFUQFYCACWHFRY-AWEZNQCLSA-N 1 0 318.339 2.053 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)[C@@H]1n1cccn1 ZINC000877554756 690150888 /nfs/dbraw/zinc/15/08/88/690150888.db2.gz ODLDAQICMUBNJN-UAGQMJEPSA-N 1 0 301.390 2.405 20 10 DECDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877630540 690172944 /nfs/dbraw/zinc/17/29/44/690172944.db2.gz GSELUSIUZHNYJT-APWZRJJASA-N 1 0 316.445 2.116 20 10 DECDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877630541 690173119 /nfs/dbraw/zinc/17/31/19/690173119.db2.gz GSELUSIUZHNYJT-LPHOPBHVSA-N 1 0 316.445 2.116 20 10 DECDRO CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](CO)C1 ZINC000877644964 690177613 /nfs/dbraw/zinc/17/76/13/690177613.db2.gz WXEBMGCOQJUSJC-SFHVURJKSA-N 1 0 312.413 2.168 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c(O)c1 ZINC000877675305 690186097 /nfs/dbraw/zinc/18/60/97/690186097.db2.gz QSGJLAGNDDLEEB-GFCCVEGCSA-N 1 0 300.284 2.185 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2cccc(C)c2O)CCCOC1 ZINC000877698917 690195410 /nfs/dbraw/zinc/19/54/10/690195410.db2.gz QWFXPPGASUOTSI-KRWDZBQOSA-N 1 0 307.390 2.150 20 10 DECDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877836692 690247094 /nfs/dbraw/zinc/24/70/94/690247094.db2.gz GXJCXGVVHFJYRS-INIZCTEOSA-N 1 0 318.461 2.241 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H]1C ZINC000878728267 690487268 /nfs/dbraw/zinc/48/72/68/690487268.db2.gz LAHKXVYMOZPOPE-KGLIPLIRSA-N 1 0 307.390 2.182 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879528974 690663652 /nfs/dbraw/zinc/66/36/52/690663652.db2.gz FMGMDXORTTVVTN-CALCHBBNSA-N 1 0 313.445 2.267 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccccc1O ZINC000879647978 690698465 /nfs/dbraw/zinc/69/84/65/690698465.db2.gz UDFDTCBSGLFUQE-CQSZACIVSA-N 1 0 314.385 2.238 20 10 DECDRO CN(C)c1ccc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880203388 690838992 /nfs/dbraw/zinc/83/89/92/690838992.db2.gz BIHBLWILMCPPOC-SFHVURJKSA-N 1 0 317.477 2.486 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2)CC1 ZINC000881853263 691173925 /nfs/dbraw/zinc/17/39/25/691173925.db2.gz OVTZVIUCMGPOPJ-UHFFFAOYSA-N 1 0 323.387 2.100 20 10 DECDRO CSC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851716 691174062 /nfs/dbraw/zinc/17/40/62/691174062.db2.gz PFNABGQRSZRIMX-AWEZNQCLSA-N 1 0 321.490 2.054 20 10 DECDRO Cn1cc(Cl)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883372705 691492541 /nfs/dbraw/zinc/49/25/41/691492541.db2.gz KRTZGTQWYOGCKF-UHFFFAOYSA-N 1 0 319.840 2.437 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1F ZINC000886220779 692027996 /nfs/dbraw/zinc/02/79/96/692027996.db2.gz MSNWAYWCDSBQHJ-QWHCGFSZSA-N 1 0 314.376 2.050 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)ccc1OC ZINC000886229029 692030631 /nfs/dbraw/zinc/03/06/31/692030631.db2.gz JQUQJPXFUVYYDM-SJORKVTESA-N 1 0 323.433 2.251 20 10 DECDRO CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046865552 692319517 /nfs/dbraw/zinc/31/95/17/692319517.db2.gz DMUBBLKQGFMCIC-HNNXBMFYSA-N 1 0 303.366 2.063 20 10 DECDRO CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071355 692542808 /nfs/dbraw/zinc/54/28/08/692542808.db2.gz IDKRKMCPTGKBKE-DGCLKSJQSA-N 1 0 317.393 2.309 20 10 DECDRO C[C@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669770 692757413 /nfs/dbraw/zinc/75/74/13/692757413.db2.gz QWQJEWQPSXLVQO-HNNXBMFYSA-N 1 0 316.449 2.132 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)CO ZINC000924759896 693182246 /nfs/dbraw/zinc/18/22/46/693182246.db2.gz NWFRORKIRIFBMB-CYBMUJFWSA-N 1 0 324.440 2.283 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC3(OC)OC)C2)cc1 ZINC000926612708 693479128 /nfs/dbraw/zinc/47/91/28/693479128.db2.gz RMQPQUYCCROYHD-RHSMWYFYSA-N 1 0 320.433 2.263 20 10 DECDRO Cc1ccc(N(Cc2cnn(C)c2)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC001332094286 1149818983 /nfs/dbraw/zinc/81/89/83/1149818983.db2.gz GIOPJIRLZDQRPQ-INIZCTEOSA-N 1 0 310.401 2.309 20 10 DECDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N(C)C)cc1 ZINC001335058476 1150371294 /nfs/dbraw/zinc/37/12/94/1150371294.db2.gz BGBUXPAQDQPDNK-OAHLLOKOSA-N 1 0 305.466 2.108 20 10 DECDRO Nc1ccc(C[NH2+]CCCN2c3ccccc3OCC2=O)cc1 ZINC001335290484 1150393705 /nfs/dbraw/zinc/39/37/05/1150393705.db2.gz XZGRUOPHNIYYQX-UHFFFAOYSA-N 1 0 311.385 2.174 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001346207590 1150951574 /nfs/dbraw/zinc/95/15/74/1150951574.db2.gz LCJVIMSEBKBZAB-OLZOCXBDSA-N 1 0 316.405 2.064 20 10 DECDRO COCOCCC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001209032541 776653256 /nfs/dbraw/zinc/65/32/56/776653256.db2.gz XGNPNSAXIYFUHG-UHFFFAOYSA-N 1 0 308.422 2.136 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001209856658 776770512 /nfs/dbraw/zinc/77/05/12/776770512.db2.gz LARIVLSJOGREFJ-OKILXGFUSA-N 1 0 315.461 2.273 20 10 DECDRO Cc1noc(C2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)n1 ZINC001140749357 777741711 /nfs/dbraw/zinc/74/17/11/777741711.db2.gz WOWAYZJGGVMPAB-UHFFFAOYSA-N 1 0 303.362 2.477 20 10 DECDRO Cc1ccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144500662 790934822 /nfs/dbraw/zinc/93/48/22/790934822.db2.gz YKURPJGCGZDEPG-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001333680716 1150078528 /nfs/dbraw/zinc/07/85/28/1150078528.db2.gz ASBNNYZUXNWCRT-STQMWFEESA-N 1 0 323.824 2.472 20 10 DECDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001168962377 784988241 /nfs/dbraw/zinc/98/82/41/784988241.db2.gz MBQXAIUVHRJXMJ-CVEARBPZSA-N 1 0 319.405 2.058 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2nccs2)cc1C ZINC001169052576 785023243 /nfs/dbraw/zinc/02/32/43/785023243.db2.gz SPANDRKHHAPDDD-UHFFFAOYSA-N 1 0 319.430 2.370 20 10 DECDRO OC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001170289484 786902890 /nfs/dbraw/zinc/90/28/90/786902890.db2.gz MUBKBQPBIXPULT-WOJBJXKFSA-N 1 0 324.424 2.134 20 10 DECDRO Cc1ccc(C)n1-c1ccc(NCCOCCOCC[NH3+])cc1 ZINC001170508330 787446720 /nfs/dbraw/zinc/44/67/20/787446720.db2.gz PFBYIJVWAKOQOT-UHFFFAOYSA-N 1 0 317.433 2.498 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCO[C@@H](C)C2)cc1C ZINC001135839183 789520830 /nfs/dbraw/zinc/52/08/30/789520830.db2.gz ZKEWNXIARPMIEY-HOCLYGCPSA-N 1 0 320.433 2.025 20 10 DECDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001172772822 793497967 /nfs/dbraw/zinc/49/79/67/793497967.db2.gz OUWRNQZAWXEVNH-DGCLKSJQSA-N 1 0 323.389 2.057 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001173365466 793704681 /nfs/dbraw/zinc/70/46/81/793704681.db2.gz IMYLENAOEXZLBP-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO CC[NH+](CC)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001116437347 794956966 /nfs/dbraw/zinc/95/69/66/794956966.db2.gz ZSZPLOCTKWCSDA-KRWDZBQOSA-N 1 0 320.433 2.124 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001116761641 794983940 /nfs/dbraw/zinc/98/39/40/794983940.db2.gz KXWPYUPFMYYGNI-KFWWJZLASA-N 1 0 323.433 2.253 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC3(CCCCO3)CC1)[C@@H](O)CO2 ZINC001119392447 795297067 /nfs/dbraw/zinc/29/70/67/795297067.db2.gz LURLXDBFDLFHNQ-INIZCTEOSA-N 1 0 319.401 2.353 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC001119465519 795305133 /nfs/dbraw/zinc/30/51/33/795305133.db2.gz NIGLNBNXGSRIQK-HNNXBMFYSA-N 1 0 304.438 2.166 20 10 DECDRO CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181167563 795440485 /nfs/dbraw/zinc/44/04/85/795440485.db2.gz DMFBOFIPVOPAEP-GDBMZVCRSA-N 1 0 320.433 2.119 20 10 DECDRO Nc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC001120371970 795448778 /nfs/dbraw/zinc/44/87/78/795448778.db2.gz WSNDIQOSEBPUCF-QGZVFWFLSA-N 1 0 309.413 2.407 20 10 DECDRO C[NH+](C)CC1(CNC(=O)NCc2ccc(N)cc2)CCCC1 ZINC001120618753 795499341 /nfs/dbraw/zinc/49/93/41/795499341.db2.gz 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796073293 /nfs/dbraw/zinc/07/32/93/796073293.db2.gz BSQPVTRBRMTYBX-UHFFFAOYSA-N 1 0 319.430 2.288 20 10 DECDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cccc(F)c1[O-] ZINC001138127169 796167504 /nfs/dbraw/zinc/16/75/04/796167504.db2.gz QWPPZHAQIPZUKJ-UHFFFAOYSA-N 1 0 304.365 2.118 20 10 DECDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCOC1 ZINC001138336895 796199035 /nfs/dbraw/zinc/19/90/35/796199035.db2.gz HXGCNNXCIPOUEP-OAHLLOKOSA-N 1 0 302.418 2.312 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337443 796199159 /nfs/dbraw/zinc/19/91/59/796199159.db2.gz PRMAAURJTSUIRR-IBGZPJMESA-N 1 0 316.445 2.438 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(CC(=O)CO4)CC3)ccc21 ZINC001138354410 796204586 /nfs/dbraw/zinc/20/45/86/796204586.db2.gz IMLDKEKXICTHPE-UHFFFAOYSA-N 1 0 314.429 2.393 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC001138495508 796227413 /nfs/dbraw/zinc/22/74/13/796227413.db2.gz KKMLQYCSPOXIBL-CRAIPNDOSA-N 1 0 304.434 2.116 20 10 DECDRO 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O=C(C=Cc1c[nH]cn1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001142273133 796731771 /nfs/dbraw/zinc/73/17/71/796731771.db2.gz PBSRMXCFUYOFPQ-AATRIKPKSA-N 1 0 308.385 2.091 20 10 DECDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001152028617 797134877 /nfs/dbraw/zinc/13/48/77/797134877.db2.gz STLQLKZVKNKNCK-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO O=C(c1ccc(O)c(O)c1Cl)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001193233130 797527896 /nfs/dbraw/zinc/52/78/96/797527896.db2.gz VDOPGMODCZQWNI-VIFPVBQESA-N 1 0 321.764 2.494 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccn(C)c2)cc1C ZINC001156547128 798026905 /nfs/dbraw/zinc/02/69/05/798026905.db2.gz XYJKFWUDJYKCRH-UHFFFAOYSA-N 1 0 315.417 2.252 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](OC)C2CC2)cc1C ZINC001157320282 798182192 /nfs/dbraw/zinc/18/21/92/798182192.db2.gz XYQZIMXTBBTWOI-QGZVFWFLSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001157574436 798233873 /nfs/dbraw/zinc/23/38/73/798233873.db2.gz 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COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)cc(O)c1O ZINC001204349961 800207337 /nfs/dbraw/zinc/20/73/37/800207337.db2.gz ZHSOYBFCDBVNRE-LBPRGKRZSA-N 1 0 319.361 2.177 20 10 DECDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204346038 800207344 /nfs/dbraw/zinc/20/73/44/800207344.db2.gz KBKVRFKMMPCWLK-QGZVFWFLSA-N 1 0 323.389 2.272 20 10 DECDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)cc(O)c1O ZINC001204351967 800208180 /nfs/dbraw/zinc/20/81/80/800208180.db2.gz XRDVHUMKGPPECE-UONOGXRCSA-N 1 0 324.396 2.115 20 10 DECDRO [NH3+][C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205117789 800300213 /nfs/dbraw/zinc/30/02/13/800300213.db2.gz VPYQGWCUAICCMT-HNNXBMFYSA-N 1 0 323.868 2.490 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CNCCO2)c2ccccc21 ZINC001205376303 800350276 /nfs/dbraw/zinc/35/02/76/800350276.db2.gz FNJJPICMWBLAIE-INIZCTEOSA-N 1 0 313.445 2.326 20 10 DECDRO [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001205725446 800408739 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COc1ccc(Br)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001231547833 801684676 /nfs/dbraw/zinc/68/46/76/801684676.db2.gz KELCPUXJFVSCPX-BDAKNGLRSA-N 1 0 316.195 2.118 20 10 DECDRO Cc1cccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1O ZINC001231593694 801692139 /nfs/dbraw/zinc/69/21/39/801692139.db2.gz YQSKUMVYIGAXRJ-NVXWUHKLSA-N 1 0 324.428 2.449 20 10 DECDRO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)c(O)cc1O ZINC001231639289 801701605 /nfs/dbraw/zinc/70/16/05/801701605.db2.gz ODXQUXVLPPVYML-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO CN1C(=O)CCC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264667 801832351 /nfs/dbraw/zinc/83/23/51/801832351.db2.gz LWSVNVLDURXNNF-UHFFFAOYSA-N 1 0 324.808 2.338 20 10 DECDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232263057 801833621 /nfs/dbraw/zinc/83/36/21/801833621.db2.gz DOSLDBYAIHATRW-UHFFFAOYSA-N 1 0 306.749 2.410 20 10 DECDRO CN(C)c1ccc(CN2CC(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232834706 801967958 /nfs/dbraw/zinc/96/79/58/801967958.db2.gz 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[NH3+][C@H](CC(=O)NCc1ccccc1O)Cc1ccc(F)c(F)c1 ZINC001219923313 802390620 /nfs/dbraw/zinc/39/06/20/802390620.db2.gz HXZRWZVBGDOIHJ-ZDUSSCGKSA-N 1 0 320.339 2.247 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)c1O ZINC001334360730 1150282898 /nfs/dbraw/zinc/28/28/98/1150282898.db2.gz VDVIODZBSDOXCN-UHFFFAOYSA-N 1 0 320.433 2.447 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H](C)O1 ZINC001335507286 1150438218 /nfs/dbraw/zinc/43/82/18/1150438218.db2.gz OTKCGBWHFAKKIB-KEYYUXOJSA-N 1 0 321.440 2.233 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c(O)c1 ZINC001331549153 1149527720 /nfs/dbraw/zinc/52/77/20/1149527720.db2.gz QENIIBNJNKVDRU-LJQANCHMSA-N 1 0 310.397 2.330 20 10 DECDRO COc1ccc(N(C)CCN(C)CC(=O)NCC(C)(C)C)cc1 ZINC001331607113 1149551979 /nfs/dbraw/zinc/55/19/79/1149551979.db2.gz OMNCEEHSPXMOFC-UHFFFAOYSA-N 1 0 321.465 2.226 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2CC([NH2+]C)C2)cc1F ZINC001343426320 1150741030 /nfs/dbraw/zinc/74/10/30/1150741030.db2.gz 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ZINC001236921036 1138456706 /nfs/dbraw/zinc/45/67/06/1138456706.db2.gz CAOVPNWBRFYEFR-SUMWQHHRSA-N 1 0 324.852 2.379 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC001236925100 1138457410 /nfs/dbraw/zinc/45/74/10/1138457410.db2.gz QFCUYTLFZZDJTL-UHFFFAOYSA-N 1 0 322.836 2.399 20 10 DECDRO CN(Cc1ccno1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236946228 1138463183 /nfs/dbraw/zinc/46/31/83/1138463183.db2.gz NBOYAGUJSKCXOC-UHFFFAOYSA-N 1 0 318.396 2.198 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@@H](C)CO1 ZINC001236944850 1138463337 /nfs/dbraw/zinc/46/33/37/1138463337.db2.gz GUUOKYZYJPEALK-LSDHHAIUSA-N 1 0 321.440 2.187 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CC[C@H]1C2 ZINC001237123925 1138508873 /nfs/dbraw/zinc/50/88/73/1138508873.db2.gz VTLHAGISJFNFLK-JTQLQIEISA-N 1 0 302.296 2.181 20 10 DECDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237209697 1138533724 /nfs/dbraw/zinc/53/37/24/1138533724.db2.gz KWFZVDOPDMNKML-MRXNPFEDSA-N 1 0 322.474 2.296 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001237488030 1138653919 /nfs/dbraw/zinc/65/39/19/1138653919.db2.gz HOGSZZORYYDDJD-HNNXBMFYSA-N 1 0 302.418 2.391 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001237492061 1138655225 /nfs/dbraw/zinc/65/52/25/1138655225.db2.gz OAUCNAYNSKCQSZ-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(O)c(OC)c1 ZINC001237670728 1138746595 /nfs/dbraw/zinc/74/65/95/1138746595.db2.gz WGKADTVZHHKUDJ-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c(O)c(OC)c1 ZINC001237680438 1138756150 /nfs/dbraw/zinc/75/61/50/1138756150.db2.gz JXJDZMPKRSVHAR-CQSZACIVSA-N 1 0 308.422 2.324 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237688382 1138758893 /nfs/dbraw/zinc/75/88/93/1138758893.db2.gz IRGSZJOKJYHSFI-ZDUSSCGKSA-N 1 0 311.813 2.247 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c1O ZINC001238067413 1138819694 /nfs/dbraw/zinc/81/96/94/1138819694.db2.gz PAGNVOUZOOKOHI-UHFFFAOYSA-N 1 0 306.381 2.427 20 10 DECDRO CC(C)(C)NC(=O)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001278254769 1138860539 /nfs/dbraw/zinc/86/05/39/1138860539.db2.gz HIZMFSLPKCRSBN-UHFFFAOYSA-N 1 0 306.381 2.458 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCC(F)F)C2)c1O ZINC001278354382 1140046123 /nfs/dbraw/zinc/04/61/23/1140046123.db2.gz JDIBVQQXNNZOBA-SJKOYZFVSA-N 1 0 324.371 2.212 20 10 DECDRO CCOc1ccc(N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001319624859 1140627735 /nfs/dbraw/zinc/62/77/35/1140627735.db2.gz ZTLQFFPXMFGOFJ-KRWDZBQOSA-N 1 0 319.449 2.074 20 10 DECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319950736 1140805963 /nfs/dbraw/zinc/80/59/63/1140805963.db2.gz RMNCPXNAMBIGNX-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001249172234 1141856586 /nfs/dbraw/zinc/85/65/86/1141856586.db2.gz JUOXCVWSWNILQJ-UGSOOPFHSA-N 1 0 321.417 2.091 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001249201474 1141859382 /nfs/dbraw/zinc/85/93/82/1141859382.db2.gz UHOPPHVANAMIBM-HNNXBMFYSA-N 1 0 311.328 2.339 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c(O)c1 ZINC001249201018 1141859414 /nfs/dbraw/zinc/85/94/14/1141859414.db2.gz AZWDQIFOSLVIPM-OAHLLOKOSA-N 1 0 307.390 2.109 20 10 DECDRO CN1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1=O ZINC001249244746 1141864191 /nfs/dbraw/zinc/86/41/91/1141864191.db2.gz MELBITNAUWCURF-UHFFFAOYSA-N 1 0 316.401 2.241 20 10 DECDRO CN1CCC([N@H+](CCO)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324168944 1142021123 /nfs/dbraw/zinc/02/11/23/1142021123.db2.gz ZIHMLJLDLFVLKV-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO CCOC(=O)c1cc(CN(CC)Cc2ccccc2O)nn1C ZINC001250548195 1142234435 /nfs/dbraw/zinc/23/44/35/1142234435.db2.gz FKKHSNQIBRAMIV-UHFFFAOYSA-N 1 0 317.389 2.325 20 10 DECDRO Nc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC001336117991 1142361336 /nfs/dbraw/zinc/36/13/36/1142361336.db2.gz UHVVHUIWJUWWKY-UHFFFAOYSA-N 1 0 301.434 2.493 20 10 DECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001336289995 1142396013 /nfs/dbraw/zinc/39/60/13/1142396013.db2.gz FEBDIMZUMGBJHS-CJNGLKHVSA-N 1 0 302.422 2.037 20 10 DECDRO COc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC001253979379 1143016923 /nfs/dbraw/zinc/01/69/23/1143016923.db2.gz KZQYBJBHXAVQDW-KBPBESRZSA-N 1 0 317.385 2.491 20 10 DECDRO C[NH2+]CCCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001340064788 1143251139 /nfs/dbraw/zinc/25/11/39/1143251139.db2.gz UVSMDKURJIPSDU-OAHLLOKOSA-N 1 0 319.449 2.090 20 10 DECDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001256326837 1143842815 /nfs/dbraw/zinc/84/28/15/1143842815.db2.gz VDBWULDZBBREGP-GJZGRUSLSA-N 1 0 319.449 2.041 20 10 DECDRO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258877406 1144049277 /nfs/dbraw/zinc/04/92/77/1144049277.db2.gz PNGZTSOONOIMBM-SJKOYZFVSA-N 1 0 317.385 2.361 20 10 DECDRO CC(C)[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1COC1 ZINC001261256084 1144228396 /nfs/dbraw/zinc/22/83/96/1144228396.db2.gz VBPVWNCPQUBBOI-UHFFFAOYSA-N 1 0 321.440 2.187 20 10 DECDRO COCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001283950556 1145723431 /nfs/dbraw/zinc/72/34/31/1145723431.db2.gz QJIRJRNWGYWNJL-GDBMZVCRSA-N 1 0 320.433 2.119 20 10 DECDRO Cc1nnc(N(C)Cc2ccccc2O)n1CC[NH+]1CCCC1 ZINC001304794028 1147359261 /nfs/dbraw/zinc/35/92/61/1147359261.db2.gz BGZOXTDHQFEMPZ-UHFFFAOYSA-N 1 0 315.421 2.024 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC001308410552 1147471239 /nfs/dbraw/zinc/47/12/39/1147471239.db2.gz RZHMQWRDGKENCW-INIZCTEOSA-N 1 0 315.461 2.423 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCCCN1CCO ZINC001308413752 1147471540 /nfs/dbraw/zinc/47/15/40/1147471540.db2.gz VWXCKHAXSUAAOH-INIZCTEOSA-N 1 0 315.461 2.423 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC001308673899 1147483358 /nfs/dbraw/zinc/48/33/58/1147483358.db2.gz FEAADQMOKOSSEB-AWEZNQCLSA-N 1 0 318.417 2.424 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)C(C)(C)C)cc2=O ZINC001325203211 1147884729 /nfs/dbraw/zinc/88/47/29/1147884729.db2.gz DXFGZPUDOLSGDV-UHFFFAOYSA-N 1 0 320.393 2.232 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410744 185294909 /nfs/dbraw/zinc/29/49/09/185294909.db2.gz OUVWMFXSNXSBTO-ZFWWWQNUSA-N 1 0 304.438 2.207 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1F ZINC000370080992 529780366 /nfs/dbraw/zinc/78/03/66/529780366.db2.gz HWELZRPUDYCONX-UHFFFAOYSA-N 1 0 319.424 2.336 20 10 DECDRO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000076111467 355127060 /nfs/dbraw/zinc/12/70/60/355127060.db2.gz CZUANBKTYVDYEG-GASCZTMLSA-N 1 0 303.450 2.299 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CC(C)(CO)CO)cc1F ZINC000093502656 193260060 /nfs/dbraw/zinc/26/00/60/193260060.db2.gz GFGGGRLDNXBBPY-UHFFFAOYSA-N 1 0 312.429 2.095 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)OCO2 ZINC000368204258 285381770 /nfs/dbraw/zinc/38/17/70/285381770.db2.gz WKCVIPKTLJCXMW-CYBMUJFWSA-N 1 0 305.374 2.369 20 10 DECDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000295856028 533529881 /nfs/dbraw/zinc/52/98/81/533529881.db2.gz FEHLFLHUPDFYAH-ZTFGCOKTSA-N 1 0 304.434 2.477 20 10 DECDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000272507827 130037068 /nfs/dbraw/zinc/03/70/68/130037068.db2.gz WORQQOZOULUHQM-WBVHZDCISA-N 1 0 305.349 2.106 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001300705462 1151931491 /nfs/dbraw/zinc/93/14/91/1151931491.db2.gz ONBFZZPXTNQYMV-ZDUSSCGKSA-N 1 0 317.393 2.452 20 10 DECDRO Oc1ccccc1C[N@H+](CCn1cccn1)C[C@@H]1CCCO1 ZINC000111233018 401702023 /nfs/dbraw/zinc/70/20/23/401702023.db2.gz QVXNUVRDWRMPHN-INIZCTEOSA-N 1 0 301.390 2.270 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000115636420 401834280 /nfs/dbraw/zinc/83/42/80/401834280.db2.gz IDSVINURTHKXHJ-MRXNPFEDSA-N 1 0 318.465 2.236 20 10 DECDRO COC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117340594 401874861 /nfs/dbraw/zinc/87/48/61/401874861.db2.gz MIDNRVBSQRACJT-HNNXBMFYSA-N 1 0 307.390 2.326 20 10 DECDRO CC[NH+](CC)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117976084 401888525 /nfs/dbraw/zinc/88/85/25/401888525.db2.gz WNSVQWNDWHLPHI-INIZCTEOSA-N 1 0 320.433 2.242 20 10 DECDRO CC[C@@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CCC[NH2+]1 ZINC000134584588 401907239 /nfs/dbraw/zinc/90/72/39/401907239.db2.gz XEGZGXYBJINKKP-SFHVURJKSA-N 1 0 301.434 2.217 20 10 DECDRO COc1cccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC000136855492 401975101 /nfs/dbraw/zinc/97/51/01/401975101.db2.gz HKNYXSAFBJYDTJ-UHFFFAOYSA-N 1 0 305.296 2.290 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NC)CC2)cc1 ZINC000122536035 402082951 /nfs/dbraw/zinc/08/29/51/402082951.db2.gz IACVXOQPBKAYOZ-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000153124034 402128459 /nfs/dbraw/zinc/12/84/59/402128459.db2.gz KEAYSBKDFJEYDG-CQSZACIVSA-N 1 0 319.449 2.075 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069142597 402213961 /nfs/dbraw/zinc/21/39/61/402213961.db2.gz QYBQUCGCPVHVKK-HNNXBMFYSA-N 1 0 310.463 2.200 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000154506664 402215787 /nfs/dbraw/zinc/21/57/87/402215787.db2.gz IMJCFDLGXGKTCQ-MAUKXSAKSA-N 1 0 303.450 2.268 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000154928447 402238633 /nfs/dbraw/zinc/23/86/33/402238633.db2.gz XQGQJLWCJIKVCC-KRWDZBQOSA-N 1 0 304.434 2.473 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000155571209 402261217 /nfs/dbraw/zinc/26/12/17/402261217.db2.gz WYRUFNFDBKPIDM-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184676301 402291056 /nfs/dbraw/zinc/29/10/56/402291056.db2.gz ZKSAIJDBUKTLRO-UHFFFAOYSA-N 1 0 312.797 2.012 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCn3ccnc3)CC2)cc1 ZINC000159768721 402330228 /nfs/dbraw/zinc/33/02/28/402330228.db2.gz BJRKPNRANXRMKG-UHFFFAOYSA-N 1 0 300.406 2.104 20 10 DECDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000186102649 402401595 /nfs/dbraw/zinc/40/15/95/402401595.db2.gz BTMBHQWRPLYINW-CHWSQXEVSA-N 1 0 316.405 2.104 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000186375599 402426411 /nfs/dbraw/zinc/42/64/11/402426411.db2.gz PFVNZPFDYRRECQ-ZIAGYGMSSA-N 1 0 307.390 2.273 20 10 DECDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccccc2O)c1 ZINC000179574363 402595163 /nfs/dbraw/zinc/59/51/63/402595163.db2.gz MRJJOYQKWIVBIM-UHFFFAOYSA-N 1 0 317.385 2.404 20 10 DECDRO CCC[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1O ZINC000171823223 402625785 /nfs/dbraw/zinc/62/57/85/402625785.db2.gz ISKLHDXHRLFJSM-UHFFFAOYSA-N 1 0 306.391 2.094 20 10 DECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000192500436 402733079 /nfs/dbraw/zinc/73/30/79/402733079.db2.gz QFFWELQOBUELGS-KXBFYZLASA-N 1 0 318.461 2.410 20 10 DECDRO C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158256 402767349 /nfs/dbraw/zinc/76/73/49/402767349.db2.gz UCIAJSUSIFLMDU-STQMWFEESA-N 1 0 318.417 2.481 20 10 DECDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000193685270 402775223 /nfs/dbraw/zinc/77/52/23/402775223.db2.gz CWCKTGHDUZCBTM-PBHICJAKSA-N 1 0 301.434 2.291 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccccc1O)[NH+]1CCC(C)CC1 ZINC000263719146 402795139 /nfs/dbraw/zinc/79/51/39/402795139.db2.gz LIPHEZBQIOULNE-AWEZNQCLSA-N 1 0 305.422 2.312 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CO[C@@H](C)COC ZINC000278053330 402851333 /nfs/dbraw/zinc/85/13/33/402851333.db2.gz IZVNEIBUQWXJIK-HOCLYGCPSA-N 1 0 311.422 2.017 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2cnccn2)c1O ZINC000271310945 402856642 /nfs/dbraw/zinc/85/66/42/402856642.db2.gz HWKNEQRHBDFZPI-UHFFFAOYSA-N 1 0 303.337 2.198 20 10 DECDRO COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472485 402866579 /nfs/dbraw/zinc/86/65/79/402866579.db2.gz HOOOCSJVROVMDA-OLZOCXBDSA-N 1 0 323.393 2.271 20 10 DECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278847476 402877605 /nfs/dbraw/zinc/87/76/05/402877605.db2.gz QBXPZQBQGKZUNY-ZJNRKIDTSA-N 1 0 305.418 2.462 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000280106741 402967327 /nfs/dbraw/zinc/96/73/27/402967327.db2.gz DXRBIXLNGICIMY-GFCCVEGCSA-N 1 0 318.417 2.019 20 10 DECDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268889994 403120609 /nfs/dbraw/zinc/12/06/09/403120609.db2.gz JPKHKRGQITUVDJ-UKRRQHHQSA-N 1 0 310.413 2.474 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c(O)c1C ZINC000282920019 403163312 /nfs/dbraw/zinc/16/33/12/403163312.db2.gz XWWUMMKVUUIHKT-OAHLLOKOSA-N 1 0 323.433 2.218 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000269955936 403178068 /nfs/dbraw/zinc/17/80/68/403178068.db2.gz SSZYLZQTUDWKBL-IEBWSBKVSA-N 1 0 314.429 2.327 20 10 DECDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCC(C)CC1 ZINC000276627932 403192274 /nfs/dbraw/zinc/19/22/74/403192274.db2.gz VSIKPMOPZCUWED-NSHDSACASA-N 1 0 310.369 2.087 20 10 DECDRO O=C(NCc1ccccc1O)NCC1CC[NH+](C2CC2)CC1 ZINC000277708429 403247813 /nfs/dbraw/zinc/24/78/13/403247813.db2.gz LRJKIPJQOKLVOR-UHFFFAOYSA-N 1 0 303.406 2.066 20 10 DECDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285718552 403364391 /nfs/dbraw/zinc/36/43/91/403364391.db2.gz QAKIEZGDCDRDDV-SMDDNHRTSA-N 1 0 318.339 2.306 20 10 DECDRO C[C@@H]1CCSCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298404072 403375826 /nfs/dbraw/zinc/37/58/26/403375826.db2.gz FGIOQXXIFRXDJP-CQSZACIVSA-N 1 0 321.490 2.196 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298759239 403457082 /nfs/dbraw/zinc/45/70/82/403457082.db2.gz UMRVKUFTVJFDCG-GJZGRUSLSA-N 1 0 303.406 2.160 20 10 DECDRO Cc1cc(CN(CCS(C)(=O)=O)C(C)C)ccc1N(C)C ZINC000293877380 403588153 /nfs/dbraw/zinc/58/81/53/403588153.db2.gz TVOLFNNDVQXRLL-UHFFFAOYSA-N 1 0 312.479 2.316 20 10 DECDRO COCCOCCOCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000294599171 403722583 /nfs/dbraw/zinc/72/25/83/403722583.db2.gz NNZMRINQFBRFEC-UHFFFAOYSA-N 1 0 324.465 2.172 20 10 DECDRO C[C@@H](CCNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCCC1 ZINC000294992079 403739789 /nfs/dbraw/zinc/73/97/89/403739789.db2.gz QSFIVYPIODETJP-NSHDSACASA-N 1 0 310.369 2.231 20 10 DECDRO COC1CCN(c2ccc(C[N@H+](C)C3(CO)CC3)cc2)CC1 ZINC000295304667 403843433 /nfs/dbraw/zinc/84/34/33/403843433.db2.gz MOYZVFSRVCRYNG-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO COCC[N@H+](Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000289697032 403993087 /nfs/dbraw/zinc/99/30/87/403993087.db2.gz FWWHAIGUTFUKIJ-UHFFFAOYSA-N 1 0 316.357 2.165 20 10 DECDRO COc1cccc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000360828209 404839910 /nfs/dbraw/zinc/83/99/10/404839910.db2.gz HXTYSGXFCQZYHF-CQSZACIVSA-N 1 0 317.389 2.314 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1OC ZINC000367289949 404997216 /nfs/dbraw/zinc/99/72/16/404997216.db2.gz DTVORQGCUBAFFO-ZFWWWQNUSA-N 1 0 320.433 2.468 20 10 DECDRO OC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)COc2ccccc2C1 ZINC000527767786 406742645 /nfs/dbraw/zinc/74/26/45/406742645.db2.gz AUZZMMGQQUAORF-IBGZPJMESA-N 1 0 311.381 2.077 20 10 DECDRO COc1ccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc1C ZINC000527768397 406745090 /nfs/dbraw/zinc/74/50/90/406745090.db2.gz NHUVTWNCOPWDDF-IBGZPJMESA-N 1 0 313.397 2.459 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000377400768 227190043 /nfs/dbraw/zinc/19/00/43/227190043.db2.gz GYQZLTHDNFMGFX-CRAIPNDOSA-N 1 0 315.369 2.375 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418092921 229216593 /nfs/dbraw/zinc/21/65/93/229216593.db2.gz BCYWGOIXRORIKR-SWLSCSKDSA-N 1 0 314.433 2.284 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)CC[NH3+])ccc21 ZINC000653127985 425412480 /nfs/dbraw/zinc/41/24/80/425412480.db2.gz DWRFPBNSLNMAIN-GFCCVEGCSA-N 1 0 317.433 2.372 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000281183244 295167195 /nfs/dbraw/zinc/16/71/95/295167195.db2.gz QTYDWHUSSVXPGH-LLVKDONJSA-N 1 0 313.419 2.019 20 10 DECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186605587 298428764 /nfs/dbraw/zinc/42/87/64/298428764.db2.gz YPFXRFNXLQZLCT-KGLIPLIRSA-N 1 0 309.429 2.208 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC[C@@H](O)C3)CC2)cc1 ZINC000372754782 534000979 /nfs/dbraw/zinc/00/09/79/534000979.db2.gz AHMIWXNNFAZLEW-WMLDXEAASA-N 1 0 304.434 2.415 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](CCO)CSC)CC2)cc1 ZINC000305111191 534000104 /nfs/dbraw/zinc/00/01/04/534000104.db2.gz CZGVWZORZMZOIB-OAHLLOKOSA-N 1 0 324.490 2.368 20 10 DECDRO CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000182540132 519809783 /nfs/dbraw/zinc/80/97/83/519809783.db2.gz LFNJEBAMRPRJSR-MRXNPFEDSA-N 1 0 306.406 2.225 20 10 DECDRO CCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(O)c1 ZINC000159812985 520348796 /nfs/dbraw/zinc/34/87/96/520348796.db2.gz ASBIITJQKHYJFU-UHFFFAOYSA-N 1 0 306.406 2.268 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)COCC2CC2)cc1 ZINC000835035429 649870044 /nfs/dbraw/zinc/87/00/44/649870044.db2.gz CQEGFTNFJTUCNA-WHLIDYPQSA-N 1 0 304.434 2.143 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)/C=C/C[NH+](C)C)cc1F ZINC000265676792 520894966 /nfs/dbraw/zinc/89/49/66/520894966.db2.gz INDAGSLERMWVGX-BQYQJAHWSA-N 1 0 307.413 2.406 20 10 DECDRO CCOc1ccc(O)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000129793765 521142963 /nfs/dbraw/zinc/14/29/63/521142963.db2.gz XUSSUZDTRLOPSO-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268868213 522629978 /nfs/dbraw/zinc/62/99/78/522629978.db2.gz GTZBTJBPIGASMG-IRXDYDNUSA-N 1 0 302.422 2.260 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H](C[NH3+])c3ccccc3)ccc21 ZINC000237128964 523861070 /nfs/dbraw/zinc/86/10/70/523861070.db2.gz CCTZWRAWYXLSCK-GOSISDBHSA-N 1 0 323.440 2.428 20 10 DECDRO C[C@H]1CSCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000190462863 524751914 /nfs/dbraw/zinc/75/19/14/524751914.db2.gz FIHSPKJPBIHEFA-CQSZACIVSA-N 1 0 321.490 2.054 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000180066455 526348813 /nfs/dbraw/zinc/34/88/13/526348813.db2.gz FDZZGDNHOHNVAH-AWEZNQCLSA-N 1 0 308.397 2.076 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525720 526772350 /nfs/dbraw/zinc/77/23/50/526772350.db2.gz DYCUUAPCTYIUCV-WFASDCNBSA-N 1 0 316.401 2.187 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000835041153 649870291 /nfs/dbraw/zinc/87/02/91/649870291.db2.gz WHJVWCKJLNSSQP-KSLSASGISA-N 1 0 301.434 2.400 20 10 DECDRO COCCN1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835041539 649870448 /nfs/dbraw/zinc/87/04/48/649870448.db2.gz YDWZJOZSQZFIHV-BDUNBXCCSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCS(=O)(=O)CC2CC2)cc1 ZINC000835041862 649870729 /nfs/dbraw/zinc/87/07/29/649870729.db2.gz FKTKPCBMPOCAFB-ONEGZZNKSA-N 1 0 322.474 2.180 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000835052139 649872421 /nfs/dbraw/zinc/87/24/21/649872421.db2.gz OGHIEBJRVJVKDY-MXTKCAFNSA-N 1 0 315.417 2.196 20 10 DECDRO COc1c([O-])c(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000835063373 649874459 /nfs/dbraw/zinc/87/44/59/649874459.db2.gz KQJXETMAVZUZGI-UHFFFAOYSA-N 1 0 323.393 2.273 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](CO)O1 ZINC001327572890 1148589570 /nfs/dbraw/zinc/58/95/70/1148589570.db2.gz JELDCNAUYUHWQL-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000737096745 598275380 /nfs/dbraw/zinc/27/53/80/598275380.db2.gz XLSRPNYVUFCYJF-UHFFFAOYSA-N 1 0 309.373 2.474 20 10 DECDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327951457 1148684620 /nfs/dbraw/zinc/68/46/20/1148684620.db2.gz HZTRORMDZHUEOD-SFHVURJKSA-N 1 0 304.434 2.118 20 10 DECDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000189152385 625464875 /nfs/dbraw/zinc/46/48/75/625464875.db2.gz IFFAMBHVEQVKTN-UHFFFAOYSA-N 1 0 324.444 2.375 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000840892832 625543591 /nfs/dbraw/zinc/54/35/91/625543591.db2.gz DTCKWXMEHIRTDG-GOEBONIOSA-N 1 0 324.490 2.159 20 10 DECDRO CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000891812313 624611683 /nfs/dbraw/zinc/61/16/83/624611683.db2.gz AFBFMSJEUFMRKC-BBRMVZONSA-N 1 0 304.438 2.207 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)c(O)c1OC ZINC000893008219 625034381 /nfs/dbraw/zinc/03/43/81/625034381.db2.gz IRBSPTRIYVTPNG-UHFFFAOYSA-N 1 0 305.378 2.477 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccnc2N(C)C)c(O)c1OC ZINC000892570632 625156905 /nfs/dbraw/zinc/15/69/05/625156905.db2.gz PEONUQKGROLSSX-UHFFFAOYSA-N 1 0 317.389 2.160 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)N2CCCCC2)c(O)c1OC ZINC000892650764 625226466 /nfs/dbraw/zinc/22/64/66/625226466.db2.gz MLUSBVBCJNWNRI-ZDUSSCGKSA-N 1 0 308.422 2.373 20 10 DECDRO CC[N@H+](CCNC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000892662600 625240939 /nfs/dbraw/zinc/24/09/39/625240939.db2.gz KXKUADODZUNUIY-UHFFFAOYSA-N 1 0 311.813 2.329 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)c(O)c1OC ZINC000892936550 625735294 /nfs/dbraw/zinc/73/52/94/625735294.db2.gz PQEIGAIRCKGIPL-SNVBAGLBSA-N 1 0 305.378 2.302 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C)C2)cc1C ZINC001019960235 625863928 /nfs/dbraw/zinc/86/39/28/625863928.db2.gz QXPLPXGVRCYUEU-MPESAESLSA-N 1 0 302.418 2.396 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000725844293 625909627 /nfs/dbraw/zinc/90/96/27/625909627.db2.gz SQAKAKCADPXNDU-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000840934627 634782864 /nfs/dbraw/zinc/78/28/64/634782864.db2.gz SWSYBEMXWSOTML-LXZKKBNFSA-N 1 0 301.434 2.160 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000734003654 633309349 /nfs/dbraw/zinc/30/93/49/633309349.db2.gz QJTIQLGKXIYFJB-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO CC(C)=C(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607778 635029564 /nfs/dbraw/zinc/02/95/64/635029564.db2.gz LATYMBZVYLLJCB-UHFFFAOYSA-N 1 0 301.434 2.411 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000837186561 650172321 /nfs/dbraw/zinc/17/23/21/650172321.db2.gz SXAAVICZHJOLKZ-HZRUHFOJSA-N 1 0 304.390 2.052 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000317188800 635181481 /nfs/dbraw/zinc/18/14/81/635181481.db2.gz SUNCEEZBYVQJCK-OAHLLOKOSA-N 1 0 321.490 2.196 20 10 DECDRO CCNC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922055017 635830102 /nfs/dbraw/zinc/83/01/02/635830102.db2.gz QXZWMKOXYVTYIM-UHFFFAOYSA-N 1 0 302.418 2.408 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(O)c1OC ZINC000893886611 636056169 /nfs/dbraw/zinc/05/61/69/636056169.db2.gz GSOLWYVVHIZZLH-HNNXBMFYSA-N 1 0 317.385 2.103 20 10 DECDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1C1CCC1 ZINC000922299796 636068989 /nfs/dbraw/zinc/06/89/89/636068989.db2.gz RLBQHVRMSXPGLL-MRXNPFEDSA-N 1 0 300.402 2.255 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340156 636136979 /nfs/dbraw/zinc/13/69/79/636136979.db2.gz KIVPQUTUXBIBEE-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2c(O)cccc2F)C1 ZINC000922854839 636441469 /nfs/dbraw/zinc/44/14/69/636441469.db2.gz YIAJXXMVTIXFNF-LBPRGKRZSA-N 1 0 309.385 2.062 20 10 DECDRO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C ZINC000922851877 636445165 /nfs/dbraw/zinc/44/51/65/636445165.db2.gz MSMZQEQNZZRYBF-GOOCMWNKSA-N 1 0 309.431 2.201 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(F)F)C2)cc1C ZINC000982958913 636558122 /nfs/dbraw/zinc/55/81/22/636558122.db2.gz SGKPBJBSKFRIQG-JOCQHMNTSA-N 1 0 312.360 2.253 20 10 DECDRO CNc1cc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)ncn1 ZINC000894269905 636634418 /nfs/dbraw/zinc/63/44/18/636634418.db2.gz XCNPNQCVLOYUOS-ZDUSSCGKSA-N 1 0 313.405 2.465 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnc3n2CCCC3)c(O)c1OC ZINC000894304791 636763478 /nfs/dbraw/zinc/76/34/78/636763478.db2.gz HJIIRCSUILKFHB-UHFFFAOYSA-N 1 0 317.389 2.232 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)OCO2 ZINC000922895179 636780791 /nfs/dbraw/zinc/78/07/91/636780791.db2.gz CUSAUWIBKRLVPO-SJCJKPOMSA-N 1 0 305.374 2.416 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1F ZINC000922950923 636880501 /nfs/dbraw/zinc/88/05/01/636880501.db2.gz RILRRSVGUMNWGQ-INIZCTEOSA-N 1 0 321.440 2.235 20 10 DECDRO Oc1cncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000922975529 636889069 /nfs/dbraw/zinc/88/90/69/636889069.db2.gz HUOWKFQLQJUAOB-UHFFFAOYSA-N 1 0 313.401 2.038 20 10 DECDRO CC[C@H](O)CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894352731 636926427 /nfs/dbraw/zinc/92/64/27/636926427.db2.gz RQOPNGLRHGDNFL-LBPRGKRZSA-N 1 0 322.380 2.355 20 10 DECDRO COc1ccc(C[N@H+](C)CCCn2ccnc2C)c(O)c1OC ZINC000894475876 637061420 /nfs/dbraw/zinc/06/14/20/637061420.db2.gz IOTWSPUKONROTR-UHFFFAOYSA-N 1 0 319.405 2.436 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894479633 637063117 /nfs/dbraw/zinc/06/31/17/637063117.db2.gz JVPRIFJRLOFETK-ZDUSSCGKSA-N 1 0 308.378 2.030 20 10 DECDRO COc1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c(O)c1OC ZINC000894722875 637185517 /nfs/dbraw/zinc/18/55/17/637185517.db2.gz DOOCYQIWCYSDDQ-HOCLYGCPSA-N 1 0 321.417 2.296 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000894788224 637210650 /nfs/dbraw/zinc/21/06/50/637210650.db2.gz WEFUCJBMOARNCF-KSSFIOAISA-N 1 0 315.369 2.293 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000894866473 637274130 /nfs/dbraw/zinc/27/41/30/637274130.db2.gz RPMBIJKDQXXQGP-ZWKOTPCHSA-N 1 0 321.417 2.119 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000895024392 637392554 /nfs/dbraw/zinc/39/25/54/637392554.db2.gz AERBEEMDYGDWIM-LBPRGKRZSA-N 1 0 300.349 2.138 20 10 DECDRO Fc1cc(C[NH2+]Cc2cc[nH]c2)cc(F)c1N1CCOCC1 ZINC000839146337 637789070 /nfs/dbraw/zinc/78/90/70/637789070.db2.gz DCKDZFJRWXSKGA-UHFFFAOYSA-N 1 0 307.344 2.419 20 10 DECDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000839185530 637813100 /nfs/dbraw/zinc/81/31/00/637813100.db2.gz VRWTYMWKGGDOQJ-AWEZNQCLSA-N 1 0 305.349 2.406 20 10 DECDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000839185733 637813283 /nfs/dbraw/zinc/81/32/83/637813283.db2.gz YMEWCVMPOAJIIV-HNNXBMFYSA-N 1 0 317.385 2.275 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NCC[NH+](C)C ZINC000840868305 650368971 /nfs/dbraw/zinc/36/89/71/650368971.db2.gz DSSLHAPXBQPXGP-AWEZNQCLSA-N 1 0 322.522 2.018 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000840894126 650372890 /nfs/dbraw/zinc/37/28/90/650372890.db2.gz PISGRIVPABIMSN-KGLIPLIRSA-N 1 0 312.479 2.015 20 10 DECDRO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000895276446 637876650 /nfs/dbraw/zinc/87/66/50/637876650.db2.gz RUWLNPGJUPXENO-TVQRCGJNSA-N 1 0 316.170 2.251 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=NO2)cc1Cn1cccn1 ZINC000895302469 637909237 /nfs/dbraw/zinc/90/92/37/637909237.db2.gz RLSCCLGWZWSQNR-MRXNPFEDSA-N 1 0 314.389 2.194 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000895390253 637994283 /nfs/dbraw/zinc/99/42/83/637994283.db2.gz VJOSIFZYNVOLGH-GOSISDBHSA-N 1 0 317.385 2.412 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCNC(=O)CC2(C)C)cc1 ZINC000895399744 638003411 /nfs/dbraw/zinc/00/34/11/638003411.db2.gz IXERFNXGVIBUBW-WAYWQWQTSA-N 1 0 301.434 2.366 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H]2C[C@H](OC)C2)c2cc(F)ccc2n1C ZINC000895413475 638010349 /nfs/dbraw/zinc/01/03/49/638010349.db2.gz FAONWCFBBGZSIY-HAQNSBGRSA-N 1 0 320.364 2.371 20 10 DECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C2 ZINC000895457743 638033551 /nfs/dbraw/zinc/03/35/51/638033551.db2.gz PZEAHEBBJSVWAC-IGCXYCKISA-N 1 0 305.374 2.141 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000840941017 650390457 /nfs/dbraw/zinc/39/04/57/650390457.db2.gz NBYVDFCDONXPTQ-CRAIPNDOSA-N 1 0 304.434 2.441 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000840941421 650391713 /nfs/dbraw/zinc/39/17/13/650391713.db2.gz WRWFGEUHMROWOM-CRAIPNDOSA-N 1 0 304.434 2.441 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000840941794 650391825 /nfs/dbraw/zinc/39/18/25/650391825.db2.gz MDXCWOOXDLWATM-QGZVFWFLSA-N 1 0 301.434 2.258 20 10 DECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895599100 638101909 /nfs/dbraw/zinc/10/19/09/638101909.db2.gz PHCVZRJBDAVXLA-CYBMUJFWSA-N 1 0 321.373 2.151 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000840962260 650395800 /nfs/dbraw/zinc/39/58/00/650395800.db2.gz JWDZDLYUXVVTFW-FUHWJXTLSA-N 1 0 306.450 2.410 20 10 DECDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000840976863 650398686 /nfs/dbraw/zinc/39/86/86/650398686.db2.gz YSDUQFJOTYIQKI-HKUYNNGSSA-N 1 0 320.477 2.488 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000840978192 650399187 /nfs/dbraw/zinc/39/91/87/650399187.db2.gz PZAKOPRRKRLYDU-SNVBAGLBSA-N 1 0 315.822 2.384 20 10 DECDRO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840979973 650399685 /nfs/dbraw/zinc/39/96/85/650399685.db2.gz VUHLFOWDAFFBSC-HOTGVXAUSA-N 1 0 322.424 2.303 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1OC ZINC000895923300 638268094 /nfs/dbraw/zinc/26/80/94/638268094.db2.gz OLDYJTDJJOOOTQ-CYBMUJFWSA-N 1 0 309.406 2.392 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c(O)c1OC ZINC000895931700 638273439 /nfs/dbraw/zinc/27/34/39/638273439.db2.gz DQFNLPUDGIOPNW-CYBMUJFWSA-N 1 0 309.406 2.392 20 10 DECDRO Cc1cccn2c(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cnc12 ZINC000841042491 650412839 /nfs/dbraw/zinc/41/28/39/650412839.db2.gz KNIUQDZSHBUAIG-GOSISDBHSA-N 1 0 323.444 2.498 20 10 DECDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841076532 650424119 /nfs/dbraw/zinc/42/41/19/650424119.db2.gz HYAWRZHJZWJGHX-STQMWFEESA-N 1 0 306.410 2.410 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000896382185 638495036 /nfs/dbraw/zinc/49/50/36/638495036.db2.gz UXAFRNZKKYOHJO-MJSXRHKHSA-N 1 0 302.418 2.461 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cccc(OC)c3O)C[C@@H]21 ZINC000896448550 638518507 /nfs/dbraw/zinc/51/85/07/638518507.db2.gz KVQIPCBWBOOVHS-VNHYZAJKSA-N 1 0 305.374 2.032 20 10 DECDRO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000748243268 638534367 /nfs/dbraw/zinc/53/43/67/638534367.db2.gz WWFNGRMXEDETCT-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO C[C@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCCC[C@@H]1C ZINC000748458672 638558241 /nfs/dbraw/zinc/55/82/41/638558241.db2.gz AKPHBPCSVUGKQR-UONOGXRCSA-N 1 0 305.422 2.454 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000896814893 638691143 /nfs/dbraw/zinc/69/11/43/638691143.db2.gz ZTBDWRSCZSJXRH-UHFFFAOYSA-N 1 0 319.426 2.436 20 10 DECDRO CCOCCOCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000897204017 639240596 /nfs/dbraw/zinc/24/05/96/639240596.db2.gz IHIZBYJAKCYPEM-UHFFFAOYSA-N 1 0 303.786 2.197 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897256471 639288019 /nfs/dbraw/zinc/28/80/19/639288019.db2.gz BOPYNTNCODXTFG-HNNXBMFYSA-N 1 0 321.417 2.215 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000754742119 639467937 /nfs/dbraw/zinc/46/79/37/639467937.db2.gz QBFFVVDNWNQJCD-MRXNPFEDSA-N 1 0 320.433 2.006 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000756368983 639654711 /nfs/dbraw/zinc/65/47/11/639654711.db2.gz AIFLQPKETQWAHD-FOGDFJRCSA-N 1 0 313.394 2.104 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000756662172 639683362 /nfs/dbraw/zinc/68/33/62/639683362.db2.gz XGOYHPSZGJNZMQ-CHWSQXEVSA-N 1 0 305.374 2.496 20 10 DECDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756662166 639683533 /nfs/dbraw/zinc/68/35/33/639683533.db2.gz WWHWIWMNARZNMA-SFYZADRCSA-N 1 0 301.184 2.069 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000839672767 639800679 /nfs/dbraw/zinc/80/06/79/639800679.db2.gz YRXBCMIZGDAMPF-HNNXBMFYSA-N 1 0 322.474 2.399 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841652763 650530408 /nfs/dbraw/zinc/53/04/08/650530408.db2.gz GARQVJHITGGIGS-DZGCQCFKSA-N 1 0 304.438 2.021 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(OC)c1O ZINC000758848863 640001067 /nfs/dbraw/zinc/00/10/67/640001067.db2.gz PSKVIELPWYWEOV-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO Cn1nc(C[NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000759192137 640037261 /nfs/dbraw/zinc/03/72/61/640037261.db2.gz XNJOLGURRQKWKN-UHFFFAOYSA-N 1 0 311.341 2.297 20 10 DECDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710514 650548028 /nfs/dbraw/zinc/54/80/28/650548028.db2.gz XPBILLJDAKPJFR-RHSMWYFYSA-N 1 0 316.449 2.084 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000841718624 650550594 /nfs/dbraw/zinc/55/05/94/650550594.db2.gz WNBFXMHSSOQNGS-RHSMWYFYSA-N 1 0 318.465 2.412 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C)C[NH2+]1 ZINC000841709374 650546880 /nfs/dbraw/zinc/54/68/80/650546880.db2.gz DXPCPPKHHYMVSN-HUUCEWRRSA-N 1 0 316.449 2.179 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709359 650546950 /nfs/dbraw/zinc/54/69/50/650546950.db2.gz DUCNRTDPECITKK-GDBMZVCRSA-N 1 0 316.449 2.166 20 10 DECDRO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000841758810 650558067 /nfs/dbraw/zinc/55/80/67/650558067.db2.gz DFPCAMUBBPLZFJ-DZGCQCFKSA-N 1 0 322.428 2.161 20 10 DECDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987585461 640229243 /nfs/dbraw/zinc/22/92/43/640229243.db2.gz PCQGHRVBBKIVAA-FZMZJTMJSA-N 1 0 317.393 2.450 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1F ZINC000841799665 650567440 /nfs/dbraw/zinc/56/74/40/650567440.db2.gz ZPGVGMBZSXKMPA-UHFFFAOYSA-N 1 0 310.417 2.208 20 10 DECDRO O=C(NCCC[NH2+]C1CC1)NCc1ccc(N2CC=CC2)cc1 ZINC000841831764 650574839 /nfs/dbraw/zinc/57/48/39/650574839.db2.gz DPMKIEVIHGXDME-UHFFFAOYSA-N 1 0 314.433 2.004 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@H]2C)c1 ZINC000897479896 640462898 /nfs/dbraw/zinc/46/28/98/640462898.db2.gz LKDGKAXBXJUDRK-CHWSQXEVSA-N 1 0 321.421 2.245 20 10 DECDRO O=C(NCCCSc1nccs1)NC[C@H]1CCCC[NH2+]1 ZINC000841858379 650582211 /nfs/dbraw/zinc/58/22/11/650582211.db2.gz XNQSZBJLPPHQJM-LLVKDONJSA-N 1 0 314.480 2.067 20 10 DECDRO [NH3+]C1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000841857475 650582313 /nfs/dbraw/zinc/58/23/13/650582313.db2.gz PEIPCKVAYQTIJJ-UHFFFAOYSA-N 1 0 314.480 2.194 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000763465597 640545738 /nfs/dbraw/zinc/54/57/38/640545738.db2.gz AWCISILXODJWBI-HNNXBMFYSA-N 1 0 309.406 2.058 20 10 DECDRO COc1ccnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897525616 640568737 /nfs/dbraw/zinc/56/87/37/640568737.db2.gz QUDUYYZTSPFYDC-OAHLLOKOSA-N 1 0 315.421 2.266 20 10 DECDRO Nc1ccc(CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841939695 650607032 /nfs/dbraw/zinc/60/70/32/650607032.db2.gz URNZFRRCFMTGDE-INIZCTEOSA-N 1 0 304.438 2.018 20 10 DECDRO CN(C)c1ccc(CN(C(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC000729518703 640789156 /nfs/dbraw/zinc/78/91/56/640789156.db2.gz RVMSDBYERNLDSH-HNNXBMFYSA-N 1 0 301.434 2.195 20 10 DECDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000841943730 650608095 /nfs/dbraw/zinc/60/80/95/650608095.db2.gz UDJRYYDLWVDVOO-OAHLLOKOSA-N 1 0 316.449 2.179 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000841951910 650610359 /nfs/dbraw/zinc/61/03/59/650610359.db2.gz ZUIPQHGFTWKOEC-UHFFFAOYSA-N 1 0 306.454 2.410 20 10 DECDRO C[C@H](C[NH3+])CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841963996 650614351 /nfs/dbraw/zinc/61/43/51/650614351.db2.gz ZCRSLCAWGQRDHT-SSDOTTSWSA-N 1 0 306.193 2.093 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000841966854 650615167 /nfs/dbraw/zinc/61/51/67/650615167.db2.gz GVTUGQVWOYCUMZ-AWEZNQCLSA-N 1 0 306.454 2.410 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(N)cc3)cc2)CC1 ZINC000841034572 640884601 /nfs/dbraw/zinc/88/46/01/640884601.db2.gz HUWMWTVSIBNVAB-UHFFFAOYSA-N 1 0 324.472 2.353 20 10 DECDRO C[C@@H](CC[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841967488 650615390 /nfs/dbraw/zinc/61/53/90/650615390.db2.gz NNPIBBNQRVEERM-ZDUSSCGKSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841988410 650620218 /nfs/dbraw/zinc/62/02/18/650620218.db2.gz QZHWMOWFDLEYGW-HOCLYGCPSA-N 1 0 318.465 2.425 20 10 DECDRO COc1ccc(N2CCC([NH2+]C3CC(CCO)C3)CC2)cc1 ZINC000898011076 640991820 /nfs/dbraw/zinc/99/18/20/640991820.db2.gz NPDRPRMAFYCZJO-UHFFFAOYSA-N 1 0 304.434 2.415 20 10 DECDRO COc1nn(C)cc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000898025612 641003508 /nfs/dbraw/zinc/00/35/08/641003508.db2.gz NJNMJLSSUXMQDC-WAYWQWQTSA-N 1 0 300.406 2.298 20 10 DECDRO c1cc2c(cc1C[NH2+][C@H]1CCOC13CCOCC3)CCCO2 ZINC000898112121 641024299 /nfs/dbraw/zinc/02/42/99/641024299.db2.gz KMNQSTNVMIKNIN-KRWDZBQOSA-N 1 0 303.402 2.439 20 10 DECDRO COc1cccc(O)c1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142930 641035615 /nfs/dbraw/zinc/03/56/15/641035615.db2.gz UIGPKUFBIQNLAY-CRAIPNDOSA-N 1 0 313.397 2.436 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000769318838 641216486 /nfs/dbraw/zinc/21/64/86/641216486.db2.gz NXPBLBNHRNHOSM-AWEZNQCLSA-N 1 0 308.397 2.273 20 10 DECDRO COc1cccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000769527764 641256850 /nfs/dbraw/zinc/25/68/50/641256850.db2.gz RDUPEJMRIIHLIN-HNNXBMFYSA-N 1 0 307.390 2.171 20 10 DECDRO Cc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000898447031 641665619 /nfs/dbraw/zinc/66/56/19/641665619.db2.gz FAVYXUAGXNYCAC-SFHVURJKSA-N 1 0 315.465 2.187 20 10 DECDRO Cc1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC000898448017 641666264 /nfs/dbraw/zinc/66/62/64/641666264.db2.gz OGUXRJWOWBAGCY-KRWDZBQOSA-N 1 0 302.422 2.442 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000773753845 641819689 /nfs/dbraw/zinc/81/96/89/641819689.db2.gz BICCBNVYUUQKNK-QGZVFWFLSA-N 1 0 316.449 2.132 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000773818192 641826091 /nfs/dbraw/zinc/82/60/91/641826091.db2.gz OAQWDSDOKJCABN-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774482575 641909041 /nfs/dbraw/zinc/90/90/41/641909041.db2.gz LWFYRSREPNRODO-CHWSQXEVSA-N 1 0 320.437 2.026 20 10 DECDRO CCON(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097500 641931217 /nfs/dbraw/zinc/93/12/17/641931217.db2.gz BJDQWZPHJYBIIH-MRXNPFEDSA-N 1 0 322.453 2.338 20 10 DECDRO COc1c([O-])c(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000774837516 641971745 /nfs/dbraw/zinc/97/17/45/641971745.db2.gz YVGAPZYKUCQOIV-UHFFFAOYSA-N 1 0 323.393 2.083 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(O)cc2)c1 ZINC000775374767 642036638 /nfs/dbraw/zinc/03/66/38/642036638.db2.gz DRCPFDMGTQPVPK-NSHDSACASA-N 1 0 316.357 2.396 20 10 DECDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000775768707 642091859 /nfs/dbraw/zinc/09/18/59/642091859.db2.gz AMIYEFROJDAFID-CYBMUJFWSA-N 1 0 312.841 2.492 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000775834923 642103079 /nfs/dbraw/zinc/10/30/79/642103079.db2.gz VXVCBHYZKYNFLP-JKIFEVAISA-N 1 0 319.449 2.087 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C[N@@H+]1C ZINC000775984945 642119389 /nfs/dbraw/zinc/11/93/89/642119389.db2.gz IPWFFVCXDDHMGK-CABCVRRESA-N 1 0 321.440 2.187 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000776253060 642149266 /nfs/dbraw/zinc/14/92/66/642149266.db2.gz MJPGPHVTGLRTHF-INIZCTEOSA-N 1 0 318.417 2.424 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1C ZINC000776520282 642180862 /nfs/dbraw/zinc/18/08/62/642180862.db2.gz LMQDPUNJDWEFKC-QGZVFWFLSA-N 1 0 309.406 2.191 20 10 DECDRO CCc1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000777505248 642273838 /nfs/dbraw/zinc/27/38/38/642273838.db2.gz OTHPIYPIRMSCNF-UHFFFAOYSA-N 1 0 317.462 2.464 20 10 DECDRO Cc1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000777508680 642274107 /nfs/dbraw/zinc/27/41/07/642274107.db2.gz ODJRAERNLDDRNP-UHFFFAOYSA-N 1 0 303.435 2.210 20 10 DECDRO CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841071786 642558164 /nfs/dbraw/zinc/55/81/64/642558164.db2.gz BKCRTUBRIMBHKK-GFCCVEGCSA-N 1 0 313.785 2.432 20 10 DECDRO Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(O)c1O ZINC000780933392 642691777 /nfs/dbraw/zinc/69/17/77/642691777.db2.gz WUZVFQSTMCCQEZ-STQMWFEESA-N 1 0 306.406 2.399 20 10 DECDRO CCc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000902205307 642958160 /nfs/dbraw/zinc/95/81/60/642958160.db2.gz MMPPMGXGAOBFQE-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(N(C)C)cc2)CC1 ZINC000902360539 643019644 /nfs/dbraw/zinc/01/96/44/643019644.db2.gz UOZGNYPDYONODP-UHFFFAOYSA-N 1 0 319.449 2.120 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC2CC2)cc1OC ZINC000902536673 643058572 /nfs/dbraw/zinc/05/85/72/643058572.db2.gz KPMBGVMPRPKJQV-CQSZACIVSA-N 1 0 307.390 2.410 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1F ZINC000842759381 650819301 /nfs/dbraw/zinc/81/93/01/650819301.db2.gz VRTJCCNWFFBIRZ-KRWDZBQOSA-N 1 0 310.413 2.159 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1SC ZINC000842766708 650820776 /nfs/dbraw/zinc/82/07/76/650820776.db2.gz DUTMYZLYSZNUPI-KMUNFCNLSA-N 1 0 311.403 2.120 20 10 DECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000903345228 643321551 /nfs/dbraw/zinc/32/15/51/643321551.db2.gz ZAJJHMNNAIIJEW-ZIAGYGMSSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)c1O ZINC000903347353 643322368 /nfs/dbraw/zinc/32/23/68/643322368.db2.gz QMUARGXWJCLSQR-ZDUSSCGKSA-N 1 0 321.417 2.373 20 10 DECDRO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449016 643355630 /nfs/dbraw/zinc/35/56/30/643355630.db2.gz VIHRFSODJBRROZ-JLSDUUJJSA-N 1 0 305.466 2.370 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903517489 643374986 /nfs/dbraw/zinc/37/49/86/643374986.db2.gz DMLRJBLORJXRJS-VXGBXAGGSA-N 1 0 320.286 2.055 20 10 DECDRO COc1cc(N(C)C[C@H]([NH3+])CC(F)F)cc(OC)c1OC ZINC000903904055 643502861 /nfs/dbraw/zinc/50/28/61/643502861.db2.gz ZZNZQYRWLVVJHE-SECBINFHSA-N 1 0 304.337 2.131 20 10 DECDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969703 643529810 /nfs/dbraw/zinc/52/98/10/643529810.db2.gz JKQQKAPTCREBIR-QGZVFWFLSA-N 1 0 317.477 2.309 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnnn1C ZINC000924796378 643607604 /nfs/dbraw/zinc/60/76/04/643607604.db2.gz VJJZHWMMPZJVNS-UONOGXRCSA-N 1 0 315.421 2.064 20 10 DECDRO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)C[NH3+] ZINC000843056705 650879538 /nfs/dbraw/zinc/87/95/38/650879538.db2.gz WYWSZLJJMBTZDD-UHFFFAOYSA-N 1 0 301.774 2.371 20 10 DECDRO C[NH+](C)CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000792134821 644077691 /nfs/dbraw/zinc/07/76/91/644077691.db2.gz SOLLROSJPMKDDN-UHFFFAOYSA-N 1 0 319.430 2.425 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC[S@](C)=O)c(C(F)(F)F)c1 ZINC000792993257 644177447 /nfs/dbraw/zinc/17/74/47/644177447.db2.gz SRMFVRVHADGLKA-FQEVSTJZSA-N 1 0 308.369 2.240 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000843120410 650900090 /nfs/dbraw/zinc/90/00/90/650900090.db2.gz JTHAAGIEIPFJSN-UKRRQHHQSA-N 1 0 318.421 2.364 20 10 DECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1O ZINC000843122719 650900401 /nfs/dbraw/zinc/90/04/01/650900401.db2.gz TWDHTZGGYHGVRG-CQSZACIVSA-N 1 0 320.824 2.234 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000794660561 644455504 /nfs/dbraw/zinc/45/55/04/644455504.db2.gz GQPCWDWDVQQNJA-CXAGYDPISA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000794888314 644488810 /nfs/dbraw/zinc/48/88/10/644488810.db2.gz FAIJDRNUSSIMMV-KDOFPFPSSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000795638925 644609718 /nfs/dbraw/zinc/60/97/18/644609718.db2.gz PTVMYMAVSBRMNR-KRWDZBQOSA-N 1 0 307.390 2.091 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000795688537 644620007 /nfs/dbraw/zinc/62/00/07/644620007.db2.gz GASYAMIVNDFSLK-GDBMZVCRSA-N 1 0 320.433 2.004 20 10 DECDRO COC(=O)c1cccc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000795932128 644661124 /nfs/dbraw/zinc/66/11/24/644661124.db2.gz AKHXKSRLRHZKQI-UHFFFAOYSA-N 1 0 301.342 2.477 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000843298789 650944493 /nfs/dbraw/zinc/94/44/93/650944493.db2.gz PUMWBTXMCRQRME-INIZCTEOSA-N 1 0 300.406 2.127 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C3CC3)on2)cc1 ZINC000843299064 650944810 /nfs/dbraw/zinc/94/48/10/650944810.db2.gz QTJFVWZHGFRICI-AWEZNQCLSA-N 1 0 314.389 2.048 20 10 DECDRO C[C@@H](C(=O)N1CCCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350315 650954960 /nfs/dbraw/zinc/95/49/60/650954960.db2.gz MKMGQYCNRMVHAO-AWEZNQCLSA-N 1 0 301.434 2.299 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843367980 650959192 /nfs/dbraw/zinc/95/91/92/650959192.db2.gz JQULZOYLJHFACK-INIZCTEOSA-N 1 0 308.809 2.434 20 10 DECDRO C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000843431557 650973984 /nfs/dbraw/zinc/97/39/84/650973984.db2.gz HPBVWVMWBPVOQY-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000843488189 650983335 /nfs/dbraw/zinc/98/33/35/650983335.db2.gz TYJWZHZKQXWWBT-WMZOPIPTSA-N 1 0 301.434 2.101 20 10 DECDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C(C)(C)C ZINC000912029979 645910714 /nfs/dbraw/zinc/91/07/14/645910714.db2.gz DCFZLRODCUBDAT-IQIBNGDESA-N 1 0 318.417 2.300 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000840091487 645943092 /nfs/dbraw/zinc/94/30/92/645943092.db2.gz YQDKBQOSPDNTAK-UHFFFAOYSA-N 1 0 322.405 2.372 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1C ZINC000808438992 646085162 /nfs/dbraw/zinc/08/51/62/646085162.db2.gz TTXMYCGBTJYDOS-AWEZNQCLSA-N 1 0 310.463 2.303 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000808446760 646085444 /nfs/dbraw/zinc/08/54/44/646085444.db2.gz LONKZQUMBKZOEV-KSZLIROESA-N 1 0 314.429 2.358 20 10 DECDRO CNC(=O)COc1cccc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000809720891 646268191 /nfs/dbraw/zinc/26/81/91/646268191.db2.gz PEJNPXDQWXNTCB-UHFFFAOYSA-N 1 0 314.385 2.115 20 10 DECDRO CCOc1ccc(O)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000809738252 646271855 /nfs/dbraw/zinc/27/18/55/646271855.db2.gz VBZYEFCTQXZEQG-KRWDZBQOSA-N 1 0 322.449 2.334 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(C)c3O)[C@H]2C1 ZINC000809788282 646283832 /nfs/dbraw/zinc/28/38/32/646283832.db2.gz PJWNMZYXQZXXAA-ULQDDVLXSA-N 1 0 302.418 2.437 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1O ZINC000810244048 646343013 /nfs/dbraw/zinc/34/30/13/646343013.db2.gz NSMLMCOFKBJSNL-LLVKDONJSA-N 1 0 324.812 2.179 20 10 DECDRO C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C[NH3+] ZINC000841101559 646546592 /nfs/dbraw/zinc/54/65/92/646546592.db2.gz VTRPHQGNSDYFKE-ONGXEEELSA-N 1 0 313.785 2.371 20 10 DECDRO COCC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000812298593 646628954 /nfs/dbraw/zinc/62/89/54/646628954.db2.gz XVJKOSGNYQPGFJ-CQSZACIVSA-N 1 0 302.374 2.178 20 10 DECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000812701402 646688045 /nfs/dbraw/zinc/68/80/45/646688045.db2.gz PZEPQSRDAKDMMW-ZDUSSCGKSA-N 1 0 323.437 2.320 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3ccn(C)n3)CC2)cc1 ZINC000812840560 646703954 /nfs/dbraw/zinc/70/39/54/646703954.db2.gz IGXBYMBPXGUZDY-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO Cc1cc(C[N@H+](C)CC(=O)NCc2ccco2)ccc1N(C)C ZINC000815012929 646956393 /nfs/dbraw/zinc/95/63/93/646956393.db2.gz NXRYKWKMYGMCFT-UHFFFAOYSA-N 1 0 315.417 2.402 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1N(C)C ZINC000815099856 646968242 /nfs/dbraw/zinc/96/82/42/646968242.db2.gz GGZMPQXXOGGDNE-ZOBUZTSGSA-N 1 0 301.434 2.147 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c1O ZINC000816610714 647158259 /nfs/dbraw/zinc/15/82/59/647158259.db2.gz VNKHNFKTAADSIL-UHFFFAOYSA-N 1 0 314.341 2.022 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000914180609 647207099 /nfs/dbraw/zinc/20/70/99/647207099.db2.gz SGSOIGVSBXBKER-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817415826 647290561 /nfs/dbraw/zinc/29/05/61/647290561.db2.gz ZYXVJELLZNUAQD-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817890399 647371856 /nfs/dbraw/zinc/37/18/56/647371856.db2.gz XJORDKSLHOQTCU-WMLDXEAASA-N 1 0 305.491 2.470 20 10 DECDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889381 647371994 /nfs/dbraw/zinc/37/19/94/647371994.db2.gz UFABPXVTKUBPAQ-IRXDYDNUSA-N 1 0 321.440 2.412 20 10 DECDRO C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817887774 647372082 /nfs/dbraw/zinc/37/20/82/647372082.db2.gz DURJUUHHWOMCJE-WMLDXEAASA-N 1 0 321.440 2.283 20 10 DECDRO COC[C@]1(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975431 647398516 /nfs/dbraw/zinc/39/85/16/647398516.db2.gz UGFBTLGRVCNLEZ-XTQGRXLLSA-N 1 0 308.397 2.438 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(C(F)(F)F)cc1O ZINC000817982807 647400074 /nfs/dbraw/zinc/40/00/74/647400074.db2.gz HNAVQXLFVZVPBQ-WCQYABFASA-N 1 0 318.339 2.440 20 10 DECDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817984460 647400890 /nfs/dbraw/zinc/40/08/90/647400890.db2.gz TWAHGSOEIXVVFO-GOEBONIOSA-N 1 0 321.440 2.455 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC000731374618 647470253 /nfs/dbraw/zinc/47/02/53/647470253.db2.gz XYNJYLPFNPLUDA-CQSZACIVSA-N 1 0 307.413 2.240 20 10 DECDRO CCOCc1cc(C[NH2+]CCCn2cncn2)ccc1OC ZINC000731449298 647478686 /nfs/dbraw/zinc/47/86/86/647478686.db2.gz ZZZXEBRBPJSICV-UHFFFAOYSA-N 1 0 304.394 2.003 20 10 DECDRO CCN(CC)c1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818964742 647551562 /nfs/dbraw/zinc/55/15/62/647551562.db2.gz GBEYIRISBJKTSE-SFHVURJKSA-N 1 0 305.466 2.078 20 10 DECDRO COCC1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOCC1 ZINC000821333117 648036743 /nfs/dbraw/zinc/03/67/43/648036743.db2.gz ZNUQGKCPNQZVMB-UHFFFAOYSA-N 1 0 311.353 2.019 20 10 DECDRO COc1ccc(N2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000919880360 648191513 /nfs/dbraw/zinc/19/15/13/648191513.db2.gz FRBUDVPRVCYBHT-UHFFFAOYSA-N 1 0 303.450 2.303 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000822434302 648207555 /nfs/dbraw/zinc/20/75/55/648207555.db2.gz BOQGIBXGTCRODP-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000822502895 648221109 /nfs/dbraw/zinc/22/11/09/648221109.db2.gz AKWDCGDUHWMTRL-AWEZNQCLSA-N 1 0 302.378 2.220 20 10 DECDRO CN1C(=O)NCC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000822529797 648226450 /nfs/dbraw/zinc/22/64/50/648226450.db2.gz JILMNHGZPVMHMM-UHFFFAOYSA-N 1 0 309.797 2.035 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921330103 648289702 /nfs/dbraw/zinc/28/97/02/648289702.db2.gz CLKJEYKQGZBZOM-NEPJUHHUSA-N 1 0 309.385 2.203 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1c(O)cccc1F ZINC000921437721 648317339 /nfs/dbraw/zinc/31/73/39/648317339.db2.gz FQSZIHJLKZFJMI-LBPRGKRZSA-N 1 0 309.385 2.205 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000237737473 648412619 /nfs/dbraw/zinc/41/26/19/648412619.db2.gz KJXOEQUCHUMKSQ-HNNXBMFYSA-N 1 0 312.417 2.361 20 10 DECDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181045484 648539778 /nfs/dbraw/zinc/53/97/78/648539778.db2.gz SBZRBUNVZXIMRH-SOFGYWHQSA-N 1 0 306.406 2.157 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c(O)c1 ZINC000824677888 648634565 /nfs/dbraw/zinc/63/45/65/648634565.db2.gz KOPZHWUFFKXRFQ-INIZCTEOSA-N 1 0 308.422 2.383 20 10 DECDRO COCC(COC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824922212 648672452 /nfs/dbraw/zinc/67/24/52/648672452.db2.gz YBOWWDLMPRAADP-UHFFFAOYSA-N 1 0 318.211 2.214 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124251 648707438 /nfs/dbraw/zinc/70/74/38/648707438.db2.gz KXSWGNWMEWRGQW-GXFFZTMASA-N 1 0 305.296 2.146 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](CCO)C2CCSCC2)c1 ZINC000825129962 648708203 /nfs/dbraw/zinc/70/82/03/648708203.db2.gz IURRXTTXLDQEFX-UHFFFAOYSA-N 1 0 311.447 2.481 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000825130255 648708255 /nfs/dbraw/zinc/70/82/55/648708255.db2.gz QQULGZMDNBVHAM-ZWNOBZJWSA-N 1 0 315.797 2.026 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1OC ZINC000825133306 648709449 /nfs/dbraw/zinc/70/94/49/648709449.db2.gz CNAMPMNGJRYPBJ-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO Cc1cc(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000825520188 648775065 /nfs/dbraw/zinc/77/50/65/648775065.db2.gz VSBFEQGAQUUDPS-LBPRGKRZSA-N 1 0 317.838 2.363 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000826020317 648838788 /nfs/dbraw/zinc/83/87/88/648838788.db2.gz RCFGXIKPULAEFP-RHSMWYFYSA-N 1 0 303.450 2.489 20 10 DECDRO COC[C@@](C)(O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000826030196 648840739 /nfs/dbraw/zinc/84/07/39/648840739.db2.gz RYVFPPFQVZIWOA-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000182405854 648900749 /nfs/dbraw/zinc/90/07/49/648900749.db2.gz KLCOERPMKXTGNG-UONOGXRCSA-N 1 0 317.385 2.491 20 10 DECDRO O[C@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827152076 648982431 /nfs/dbraw/zinc/98/24/31/648982431.db2.gz QBSCEOWGDVUDOK-LJQANCHMSA-N 1 0 316.445 2.260 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320096 649014012 /nfs/dbraw/zinc/01/40/12/649014012.db2.gz DEKQSSBRPDMZKP-KRWDZBQOSA-N 1 0 321.490 2.374 20 10 DECDRO OCC1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000827481485 649040502 /nfs/dbraw/zinc/04/05/02/649040502.db2.gz OEPTWIFKFNKSOG-UHFFFAOYSA-N 1 0 313.397 2.236 20 10 DECDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000827634384 649059951 /nfs/dbraw/zinc/05/99/51/649059951.db2.gz NZAOQVSJIXLSQA-GFCCVEGCSA-N 1 0 308.809 2.490 20 10 DECDRO Cc1cc(O)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000827698662 649070113 /nfs/dbraw/zinc/07/01/13/649070113.db2.gz ALFODENUUNETGP-OAHLLOKOSA-N 1 0 324.852 2.385 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1F ZINC000827906706 649103359 /nfs/dbraw/zinc/10/33/59/649103359.db2.gz SIHOHBCBJYMSDX-CXAGYDPISA-N 1 0 307.413 2.416 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)COC1CCC([NH3+])CC1 ZINC000828145061 649141786 /nfs/dbraw/zinc/14/17/86/649141786.db2.gz VXTGQHSNRMDVQQ-UHFFFAOYSA-N 1 0 320.433 2.417 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353368 649169067 /nfs/dbraw/zinc/16/90/67/649169067.db2.gz NANPJGAHVLHSKI-GOSISDBHSA-N 1 0 319.449 2.298 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000184917063 649408569 /nfs/dbraw/zinc/40/85/69/649408569.db2.gz NECAKJMRQDAQTD-LLVKDONJSA-N 1 0 304.346 2.074 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)CCCCC[NH3+])C2)cc1 ZINC000831748538 649637983 /nfs/dbraw/zinc/63/79/83/649637983.db2.gz FXGNZQADLCUVEJ-HNNXBMFYSA-N 1 0 319.449 2.157 20 10 DECDRO C[C@@H]1CC[C@@H](CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)O1 ZINC000832267030 649690612 /nfs/dbraw/zinc/69/06/12/649690612.db2.gz LRBADUUIMKOUGG-COXVUDFISA-N 1 0 319.449 2.216 20 10 DECDRO CCCCO[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282044 649691939 /nfs/dbraw/zinc/69/19/39/649691939.db2.gz XPCFCDNSTFRKFE-CJNGLKHVSA-N 1 0 307.438 2.074 20 10 DECDRO Cc1cccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832281101 649691964 /nfs/dbraw/zinc/69/19/64/649691964.db2.gz SGCUXIIMRDEZQD-SFHVURJKSA-N 1 0 311.429 2.420 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cccc(F)c2)cc1 ZINC000832285152 649692233 /nfs/dbraw/zinc/69/22/33/649692233.db2.gz OYCUPBGBCIPZSA-KRWDZBQOSA-N 1 0 315.392 2.250 20 10 DECDRO Cc1ccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293342 649693087 /nfs/dbraw/zinc/69/30/87/649693087.db2.gz VGYQIIINHDRLAB-SFHVURJKSA-N 1 0 311.429 2.420 20 10 DECDRO CCCCNC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398908 651122801 /nfs/dbraw/zinc/12/28/01/651122801.db2.gz DQEVDPKJIHHAEA-HNNXBMFYSA-N 1 0 321.465 2.368 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000844402244 651123217 /nfs/dbraw/zinc/12/32/17/651123217.db2.gz QTLJGBAIMMVWEV-CQSZACIVSA-N 1 0 320.355 2.377 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(C)n2)cc1 ZINC000844400488 651123398 /nfs/dbraw/zinc/12/33/98/651123398.db2.gz CSYIWTQLSLNDJX-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000844892826 651180228 /nfs/dbraw/zinc/18/02/28/651180228.db2.gz JMRTZOYYLFABLV-KGLIPLIRSA-N 1 0 323.824 2.472 20 10 DECDRO CCn1nccc1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846051534 651304395 /nfs/dbraw/zinc/30/43/95/651304395.db2.gz JEQSEQQHLHKWAO-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846054421 651304921 /nfs/dbraw/zinc/30/49/21/651304921.db2.gz APRHBYHLKFXOCQ-UHFFFAOYSA-N 1 0 323.780 2.246 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846070999 651306407 /nfs/dbraw/zinc/30/64/07/651306407.db2.gz GDBBLYHZFJPJNZ-NEPJUHHUSA-N 1 0 304.390 2.062 20 10 DECDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CCO)c1O ZINC000846109114 651308386 /nfs/dbraw/zinc/30/83/86/651308386.db2.gz DCALBVBYWVVSCH-VIFPVBQESA-N 1 0 318.211 2.366 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC000846138999 651310379 /nfs/dbraw/zinc/31/03/79/651310379.db2.gz NVPMOTJNVUPAMR-ZIAGYGMSSA-N 1 0 317.385 2.491 20 10 DECDRO COc1cccc([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000846159464 651312059 /nfs/dbraw/zinc/31/20/59/651312059.db2.gz ORUWVLQYKHTREO-NSHDSACASA-N 1 0 302.378 2.108 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000846172986 651313085 /nfs/dbraw/zinc/31/30/85/651313085.db2.gz OQRDVVRECNZAKT-SJKOYZFVSA-N 1 0 309.406 2.229 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000846210468 651315503 /nfs/dbraw/zinc/31/55/03/651315503.db2.gz NCUSYKDQZCXFHM-GFCCVEGCSA-N 1 0 321.421 2.151 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846672589 651344783 /nfs/dbraw/zinc/34/47/83/651344783.db2.gz INJNBYOKPSGZCY-IRXDYDNUSA-N 1 0 301.434 2.208 20 10 DECDRO CC[C@]1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000846697497 651346725 /nfs/dbraw/zinc/34/67/25/651346725.db2.gz RFSONYVAFKALGP-GOSISDBHSA-N 1 0 319.449 2.122 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352792 651454060 /nfs/dbraw/zinc/45/40/60/651454060.db2.gz UJCJLMYSGWNXAD-MJYKILKPSA-N 1 0 316.401 2.244 20 10 DECDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000848528862 651467735 /nfs/dbraw/zinc/46/77/35/651467735.db2.gz IRNTXLNSQNAILH-UHFFFAOYSA-N 1 0 320.824 2.200 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN(C)C)c1O ZINC000848550955 651469530 /nfs/dbraw/zinc/46/95/30/651469530.db2.gz ZUJQTWAAHRXDAJ-VIFPVBQESA-N 1 0 317.227 2.376 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000848555611 651470134 /nfs/dbraw/zinc/47/01/34/651470134.db2.gz UZQJWZXPYBCUJR-WHGOUJPWSA-N 1 0 316.195 2.337 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848559407 651470638 /nfs/dbraw/zinc/47/06/38/651470638.db2.gz WHZHNMSODOQYPU-BZPMIXESSA-N 1 0 306.406 2.170 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000848888591 651546446 /nfs/dbraw/zinc/54/64/46/651546446.db2.gz XGDRWXLQEMFZMG-HNNXBMFYSA-N 1 0 304.434 2.109 20 10 DECDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000854738668 651548019 /nfs/dbraw/zinc/54/80/19/651548019.db2.gz NNZHSJGHWNFIFQ-JXTAAOLFSA-N 1 0 316.401 2.055 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000848913949 651558550 /nfs/dbraw/zinc/55/85/50/651558550.db2.gz CLECEVUNKDMHGJ-HNNXBMFYSA-N 1 0 305.422 2.190 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930251 651565434 /nfs/dbraw/zinc/56/54/34/651565434.db2.gz PIBLTGWOTAZTCC-INIZCTEOSA-N 1 0 308.397 2.218 20 10 DECDRO COc1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850284244 651887189 /nfs/dbraw/zinc/88/71/89/651887189.db2.gz BKHQOITYLFYSOP-IAQYHMDHSA-N 1 0 320.433 2.313 20 10 DECDRO CCN(OC)C(=O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850339022 651903265 /nfs/dbraw/zinc/90/32/65/651903265.db2.gz NHCVUMFLMIODFV-UHFFFAOYSA-N 1 0 324.421 2.198 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](COC)C2CCOCC2)c(O)c1 ZINC000850351196 651908500 /nfs/dbraw/zinc/90/85/00/651908500.db2.gz KQQCNWUJMBCRGQ-MRXNPFEDSA-N 1 0 309.406 2.322 20 10 DECDRO COc1cccc(OC)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850356349 651910568 /nfs/dbraw/zinc/91/05/68/651910568.db2.gz UVEPTXJOIQCHIV-UHFFFAOYSA-N 1 0 317.341 2.428 20 10 DECDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850411532 651922483 /nfs/dbraw/zinc/92/24/83/651922483.db2.gz DWBVGHAIIQIYKY-WBMJQRKESA-N 1 0 315.369 2.375 20 10 DECDRO O=C1N(CC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H]2CCCCN12 ZINC000850560371 651953458 /nfs/dbraw/zinc/95/34/58/651953458.db2.gz DPOFWDPIJZGCTM-LSDHHAIUSA-N 1 0 315.417 2.259 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000114587555 651974887 /nfs/dbraw/zinc/97/48/87/651974887.db2.gz GCZGWQWSCNBLOP-ZDUSSCGKSA-N 1 0 321.421 2.074 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000857002695 652025578 /nfs/dbraw/zinc/02/55/78/652025578.db2.gz IUUUZFKTNAYXQX-OAHLLOKOSA-N 1 0 303.450 2.457 20 10 DECDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c(F)ccc(O)c1O ZINC000857343010 652110750 /nfs/dbraw/zinc/11/07/50/652110750.db2.gz YCWBRDYXLIFAPX-LBPRGKRZSA-N 1 0 322.380 2.089 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851656907 652199907 /nfs/dbraw/zinc/19/99/07/652199907.db2.gz ROQJZYQKXXIPGL-MRXNPFEDSA-N 1 0 306.454 2.234 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[NH+](C)C ZINC000858104840 652255158 /nfs/dbraw/zinc/25/51/58/652255158.db2.gz ZOOLQDOJJAEJGE-UHFFFAOYSA-N 1 0 313.401 2.198 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCN2CCSCC2)cc1F ZINC000858135581 652262993 /nfs/dbraw/zinc/26/29/93/652262993.db2.gz YPLZXVYOALFLTB-UHFFFAOYSA-N 1 0 315.433 2.169 20 10 DECDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149628 652267100 /nfs/dbraw/zinc/26/71/00/652267100.db2.gz QDESSMTVCNMASN-AAEUAGOBSA-N 1 0 314.376 2.314 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858231045 652285417 /nfs/dbraw/zinc/28/54/17/652285417.db2.gz JIBFPHDDIJYRGS-LLVKDONJSA-N 1 0 300.349 2.220 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852631954 652430712 /nfs/dbraw/zinc/43/07/12/652430712.db2.gz NALGBYVUTQRHSJ-MRXNPFEDSA-N 1 0 318.465 2.378 20 10 DECDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000852790762 652457457 /nfs/dbraw/zinc/45/74/57/652457457.db2.gz BDRNZDLAJGDFFF-COXVUDFISA-N 1 0 319.449 2.074 20 10 DECDRO CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000853245491 652529295 /nfs/dbraw/zinc/52/92/95/652529295.db2.gz ZXVBHUTYZDNEBE-QGZVFWFLSA-N 1 0 318.465 2.378 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1OC ZINC000853529434 652563481 /nfs/dbraw/zinc/56/34/81/652563481.db2.gz WGFTYTKEPYBPOL-KRWDZBQOSA-N 1 0 307.390 2.410 20 10 DECDRO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1COCCO1 ZINC000853558872 652568191 /nfs/dbraw/zinc/56/81/91/652568191.db2.gz KVECFKOBXMUEJP-AWEZNQCLSA-N 1 0 309.406 2.243 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1C ZINC000853582479 652572953 /nfs/dbraw/zinc/57/29/53/652572953.db2.gz IDKYCKMNJWQCEY-OAHLLOKOSA-N 1 0 305.422 2.197 20 10 DECDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000858546868 685555826 /nfs/dbraw/zinc/55/58/26/685555826.db2.gz AQWKQTBKLZTCLV-VQIMIIECSA-N 1 0 317.477 2.394 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000858546993 685555966 /nfs/dbraw/zinc/55/59/66/685555966.db2.gz CBTUPDHDSDZFLT-UHFFFAOYSA-N 1 0 305.422 2.373 20 10 DECDRO Cc1cc(CC(=O)NC[C@H]2CC[N@H+]2C)c(C)n1-c1ccccc1 ZINC000928550962 693800169 /nfs/dbraw/zinc/80/01/69/693800169.db2.gz JVHCRHIYCLUXKS-GOSISDBHSA-N 1 0 311.429 2.457 20 10 DECDRO CCC[N@H+](Cc1cc(C)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000122359528 684114667 /nfs/dbraw/zinc/11/46/67/684114667.db2.gz QFUGFWFEYKEAHN-OAHLLOKOSA-N 1 0 311.447 2.408 20 10 DECDRO CCCCCC[N@H+](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122635999 684117532 /nfs/dbraw/zinc/11/75/32/684117532.db2.gz DGFIBMWNBPANGQ-UHFFFAOYSA-N 1 0 308.422 2.269 20 10 DECDRO CC[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000125076292 684141758 /nfs/dbraw/zinc/14/17/58/684141758.db2.gz YIDHSKUKWJBCRW-KRWDZBQOSA-N 1 0 319.449 2.120 20 10 DECDRO CCOC(=O)N(C)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000130863572 684193938 /nfs/dbraw/zinc/19/39/38/684193938.db2.gz YLBWEUDERLQONT-UHFFFAOYSA-N 1 0 322.405 2.454 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000188055821 684347901 /nfs/dbraw/zinc/34/79/01/684347901.db2.gz QUIWUBZONWRYBQ-CQSZACIVSA-N 1 0 300.358 2.131 20 10 DECDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000188645866 684360132 /nfs/dbraw/zinc/36/01/32/684360132.db2.gz VMEIXNOQPZTFFV-NSHDSACASA-N 1 0 310.369 2.488 20 10 DECDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000861574606 686147777 /nfs/dbraw/zinc/14/77/77/686147777.db2.gz WGCASPBOWFUXSS-HNNXBMFYSA-N 1 0 318.465 2.412 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000861620825 686160309 /nfs/dbraw/zinc/16/03/09/686160309.db2.gz OFDBFJQQOIHROR-NFAWXSAZSA-N 1 0 304.438 2.253 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862210443 686254813 /nfs/dbraw/zinc/25/48/13/686254813.db2.gz LHNCATOFWKOECT-SNVBAGLBSA-N 1 0 300.196 2.359 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@H]1OC ZINC000862325607 686276548 /nfs/dbraw/zinc/27/65/48/686276548.db2.gz CNWREWIKKSNWCW-NUEKZKHPSA-N 1 0 314.376 2.313 20 10 DECDRO CNC(=O)C1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC000862332040 686277437 /nfs/dbraw/zinc/27/74/37/686277437.db2.gz QRLYSVZUPIIRRZ-UHFFFAOYSA-N 1 0 311.376 2.179 20 10 DECDRO COC(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000862330749 686277998 /nfs/dbraw/zinc/27/79/98/686277998.db2.gz CZTDNRRYMWSGPG-UHFFFAOYSA-N 1 0 314.179 2.198 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862427871 686300692 /nfs/dbraw/zinc/30/06/92/686300692.db2.gz GNRBODPRCAWWEQ-GFCCVEGCSA-N 1 0 312.797 2.107 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863031439 686421964 /nfs/dbraw/zinc/42/19/64/686421964.db2.gz GRAZCRFHXPBHHN-PMGBHYCQSA-N 1 0 316.401 2.244 20 10 DECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865663328 687294448 /nfs/dbraw/zinc/29/44/48/687294448.db2.gz PFKCZJNJPBCDCX-OAHLLOKOSA-N 1 0 310.413 2.303 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865859308 687357949 /nfs/dbraw/zinc/35/79/49/687357949.db2.gz LFMLGIIZDYSALT-MSOLQXFVSA-N 1 0 302.418 2.324 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)CC2 ZINC000866437074 687572636 /nfs/dbraw/zinc/57/26/36/687572636.db2.gz XVCPYNQKAXZWHL-PWSUYJOCSA-N 1 0 312.295 2.364 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1O ZINC000868805844 688145669 /nfs/dbraw/zinc/14/56/69/688145669.db2.gz PCFRLXAYHVCPBK-KGLIPLIRSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+]CCC[C@@H](C)CO)cc1Cn1cccn1 ZINC000873097730 689158667 /nfs/dbraw/zinc/15/86/67/689158667.db2.gz FJVFFLVTONHCDD-OAHLLOKOSA-N 1 0 317.433 2.438 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000873171507 689175989 /nfs/dbraw/zinc/17/59/89/689175989.db2.gz MNZMCMCUJOXURT-LQDVMPOASA-N 1 0 309.431 2.146 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000873293627 689203961 /nfs/dbraw/zinc/20/39/61/689203961.db2.gz OFMKLBCBEORRNM-OCCSQVGLSA-N 1 0 308.397 2.341 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)c1O ZINC000930919105 694273967 /nfs/dbraw/zinc/27/39/67/694273967.db2.gz SQJHAFXNIXACHV-ISTVAULSSA-N 1 0 322.380 2.208 20 10 DECDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931039307 694299997 /nfs/dbraw/zinc/29/99/97/694299997.db2.gz QGUZHUYTFBVRCJ-YJBOKZPZSA-N 1 0 303.450 2.048 20 10 DECDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000875109231 689573322 /nfs/dbraw/zinc/57/33/22/689573322.db2.gz QFNVLEZLOIPZEI-LSDHHAIUSA-N 1 0 301.390 2.044 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875578228 689653473 /nfs/dbraw/zinc/65/34/73/689653473.db2.gz FICFVLMPHZZEME-AWEZNQCLSA-N 1 0 303.406 2.292 20 10 DECDRO CSc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)co1 ZINC000876506858 689841668 /nfs/dbraw/zinc/84/16/68/689841668.db2.gz PIZVEKBYXFFRHJ-CQSZACIVSA-N 1 0 319.430 2.497 20 10 DECDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCSc1nccs1 ZINC000876663217 689893379 /nfs/dbraw/zinc/89/33/79/689893379.db2.gz YDXDURIQXQRWOV-DNDCWNJCSA-N 1 0 311.476 2.153 20 10 DECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(O)c1 ZINC000876685086 689902304 /nfs/dbraw/zinc/90/23/04/689902304.db2.gz XONVVJZTBPRRRN-KRWDZBQOSA-N 1 0 304.434 2.387 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876728121 689917668 /nfs/dbraw/zinc/91/76/68/689917668.db2.gz GFPZBCOCKZIESU-ZBFHGGJFSA-N 1 0 307.413 2.097 20 10 DECDRO OCCCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876732554 689919703 /nfs/dbraw/zinc/91/97/03/689919703.db2.gz ZDEBPXIIHJXCDH-UHFFFAOYSA-N 1 0 318.461 2.385 20 10 DECDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876749827 689926265 /nfs/dbraw/zinc/92/62/65/689926265.db2.gz NABQMBKMFKIMIJ-CRAIPNDOSA-N 1 0 318.461 2.383 20 10 DECDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876988027 689990951 /nfs/dbraw/zinc/99/09/51/689990951.db2.gz RCDJVIACPNNICL-GOSISDBHSA-N 1 0 306.450 2.144 20 10 DECDRO COCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876995851 689992996 /nfs/dbraw/zinc/99/29/96/689992996.db2.gz ITIGVZYXLUGDLK-UHFFFAOYSA-N 1 0 314.376 2.261 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000877031091 690002387 /nfs/dbraw/zinc/00/23/87/690002387.db2.gz MCVBDXQOYITSCY-MSOLQXFVSA-N 1 0 304.434 2.041 20 10 DECDRO Cc1ncc(/C=C/C(=O)N2CCOc3ccc(C[NH3+])cc32)s1 ZINC000877120375 690023217 /nfs/dbraw/zinc/02/32/17/690023217.db2.gz ITYOADUILPFWMB-HWKANZROSA-N 1 0 315.398 2.349 20 10 DECDRO Nc1ccc(CC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000877401766 690103074 /nfs/dbraw/zinc/10/30/74/690103074.db2.gz OHQFKKMUUFLTLX-MRXNPFEDSA-N 1 0 301.434 2.240 20 10 DECDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1C ZINC000877408172 690105222 /nfs/dbraw/zinc/10/52/22/690105222.db2.gz CQDZITUJDCYJJN-HZPDHXFCSA-N 1 0 317.477 2.172 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCOC1 ZINC000877515766 690137741 /nfs/dbraw/zinc/13/77/41/690137741.db2.gz ORJYYURHODXTEA-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO COCC1(C)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877582047 690158397 /nfs/dbraw/zinc/15/83/97/690158397.db2.gz FWQPDBUKENDCRU-UHFFFAOYSA-N 1 0 304.434 2.116 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3snnc3C)C2)cc1 ZINC000877620736 690169520 /nfs/dbraw/zinc/16/95/20/690169520.db2.gz MTAYFKSAXDBQJK-LBPRGKRZSA-N 1 0 304.419 2.224 20 10 DECDRO CCOc1ccc(C[NH2+]Cc2cc(C(=O)OC)co2)c(O)c1 ZINC000877698536 690195396 /nfs/dbraw/zinc/19/53/96/690195396.db2.gz LBANGRKGTRZYAB-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2cccc(CC)c2O)CCCOC1 ZINC000877698983 690195683 /nfs/dbraw/zinc/19/56/83/690195683.db2.gz TZHCSMTYRJJOGJ-SFHVURJKSA-N 1 0 321.417 2.404 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2cccc(CC)c2O)on1 ZINC000877711771 690200144 /nfs/dbraw/zinc/20/01/44/690200144.db2.gz YPYGXJNRHDVZKR-UHFFFAOYSA-N 1 0 304.346 2.409 20 10 DECDRO CCOCc1cc(C[NH2+]C2CC(C(=O)OC)C2)ccc1OC ZINC000877721652 690204196 /nfs/dbraw/zinc/20/41/96/690204196.db2.gz WXRRFECDYZZGMR-UHFFFAOYSA-N 1 0 307.390 2.273 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)c(O)c1 ZINC000877722792 690204856 /nfs/dbraw/zinc/20/48/56/690204856.db2.gz JYULWKXZDGSCSU-OGHNNQOOSA-N 1 0 305.374 2.222 20 10 DECDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877753333 690216649 /nfs/dbraw/zinc/21/66/49/690216649.db2.gz NLQQMWSCCBGTIU-QGZVFWFLSA-N 1 0 304.434 2.116 20 10 DECDRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877757092 690217848 /nfs/dbraw/zinc/21/78/48/690217848.db2.gz FSZLUHZTUKKPOK-AWEZNQCLSA-N 1 0 320.433 2.460 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CCN2CC3(C2)CCOCC3)cc1 ZINC000877765832 690218938 /nfs/dbraw/zinc/21/89/38/690218938.db2.gz REBGZLMSPHPIMB-UHFFFAOYSA-N 1 0 317.477 2.297 20 10 DECDRO C[NH2+][C@@H](C)c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999722 691010728 /nfs/dbraw/zinc/01/07/28/691010728.db2.gz RPSWLPRCPDEPFB-QMMMGPOBSA-N 1 0 308.769 2.168 20 10 DECDRO Cc1occc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848964 691173289 /nfs/dbraw/zinc/17/32/89/691173289.db2.gz HKSPJURUCMZCNS-UHFFFAOYSA-N 1 0 313.401 2.270 20 10 DECDRO Cc1ccoc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848931 691173316 /nfs/dbraw/zinc/17/33/16/691173316.db2.gz FPQOVRMAQCCBJZ-UHFFFAOYSA-N 1 0 313.401 2.270 20 10 DECDRO CC[NH+](CC)CC[C@@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000883160613 691444327 /nfs/dbraw/zinc/44/43/27/691444327.db2.gz WCVAHLOYVBQKNB-NSHDSACASA-N 1 0 318.820 2.367 20 10 DECDRO Fc1cc(C[NH2+]CCc2ccns2)ccc1N1CCOCC1 ZINC000883241520 691464706 /nfs/dbraw/zinc/46/47/06/691464706.db2.gz AYKVNBNZJUDYKG-UHFFFAOYSA-N 1 0 321.421 2.451 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1 ZINC000883296887 691475828 /nfs/dbraw/zinc/47/58/28/691475828.db2.gz ABZXKBJQHXUBNX-IVZVJUQRSA-N 1 0 322.474 2.323 20 10 DECDRO COCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001044391370 691817858 /nfs/dbraw/zinc/81/78/58/691817858.db2.gz TWSDTHGBHCQLQZ-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885940209 691967245 /nfs/dbraw/zinc/96/72/45/691967245.db2.gz DDUNOSUXVTYPSI-MJGOQNOKSA-N 1 0 316.445 2.382 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@]23C[C@H]2COC3)ccc1N1CCCCC1 ZINC000886201700 692022478 /nfs/dbraw/zinc/02/24/78/692022478.db2.gz OBHPQRDFOPYILO-YOEHRIQHSA-N 1 0 317.389 2.464 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@]23C[C@H]2COC3)c1O ZINC000886201678 692022547 /nfs/dbraw/zinc/02/25/47/692022547.db2.gz NIXFFNHVSCAXLH-ZANVPECISA-N 1 0 314.179 2.042 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccco3)cc2)CC1 ZINC000886325694 692057093 /nfs/dbraw/zinc/05/70/93/692057093.db2.gz OEVWOBIBERDHTF-UHFFFAOYSA-N 1 0 313.401 2.271 20 10 DECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000886636940 692142865 /nfs/dbraw/zinc/14/28/65/692142865.db2.gz YMLFLZMEXHVBNA-QLFBSQMISA-N 1 0 318.417 2.205 20 10 DECDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000886961135 692240868 /nfs/dbraw/zinc/24/08/68/692240868.db2.gz MBGYINFRUFEGLL-ZDUSSCGKSA-N 1 0 311.389 2.406 20 10 DECDRO CCCN(C[C@H]1[C@@H](C(=O)OC)C1(F)F)c1ccc(C[NH3+])cc1 ZINC000894569893 692986304 /nfs/dbraw/zinc/98/63/04/692986304.db2.gz NPMXJVJPISDHOH-KBPBESRZSA-N 1 0 312.360 2.416 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN1CCOCC1 ZINC000921767456 693040984 /nfs/dbraw/zinc/04/09/84/693040984.db2.gz ZWASFIJWJWPNKP-OAHLLOKOSA-N 1 0 304.434 2.070 20 10 DECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759584 693182259 /nfs/dbraw/zinc/18/22/59/693182259.db2.gz KJUAPUSWGCTHRG-RHSMWYFYSA-N 1 0 322.424 2.301 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925322757 693256333 /nfs/dbraw/zinc/25/63/33/693256333.db2.gz BNYDRIGXNFVEQR-DZGCQCFKSA-N 1 0 305.422 2.406 20 10 DECDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000925474397 693278873 /nfs/dbraw/zinc/27/88/73/693278873.db2.gz JEQPYOVHGBTBEW-INIZCTEOSA-N 1 0 305.491 2.470 20 10 DECDRO CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001051400732 693353464 /nfs/dbraw/zinc/35/34/64/693353464.db2.gz YJLWYHYYNRDNIC-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H](C)n4ncnc43)C2)cc1 ZINC000926680221 693491046 /nfs/dbraw/zinc/49/10/46/693491046.db2.gz KZXTWLWZEUHLQQ-WWGRRREGSA-N 1 0 313.405 2.161 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)n4ncnc43)C2)cc1 ZINC000926680219 693491277 /nfs/dbraw/zinc/49/12/77/693491277.db2.gz KZXTWLWZEUHLQQ-DVOMOZLQSA-N 1 0 313.405 2.161 20 10 DECDRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926952993 693534955 /nfs/dbraw/zinc/53/49/55/693534955.db2.gz GBMDPZXDGJJTTA-ZDUSSCGKSA-N 1 0 312.479 2.474 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1O ZINC000927147572 693560734 /nfs/dbraw/zinc/56/07/34/693560734.db2.gz SVCKAWVTDKZTKF-GXTWGEPZSA-N 1 0 300.406 2.427 20 10 DECDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(N(C)C)cc1 ZINC000927161373 693563421 /nfs/dbraw/zinc/56/34/21/693563421.db2.gz IKDVKOFWJPLAAX-XKQJLSEDSA-N 1 0 304.434 2.333 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1O ZINC001332986212 1149945159 /nfs/dbraw/zinc/94/51/59/1149945159.db2.gz UFKVJTSBYATBQZ-HNNXBMFYSA-N 1 0 302.418 2.445 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CC(CC3CCOCC3)C1)OCO2 ZINC001333718049 1150082834 /nfs/dbraw/zinc/08/28/34/1150082834.db2.gz DZTMRWDPBMOTQV-UHFFFAOYSA-N 1 0 305.374 2.369 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC001348475547 1151161801 /nfs/dbraw/zinc/16/18/01/1151161801.db2.gz GHZPRKHMQFPRTK-AWEZNQCLSA-N 1 0 305.466 2.496 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3Cc4cccc(O)c4C3)C[N@@H+]2C1 ZINC001348929223 1151210366 /nfs/dbraw/zinc/21/03/66/1151210366.db2.gz RWBKSAZXAYEBKJ-BPLDGKMQSA-N 1 0 300.402 2.355 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2F)CC1 ZINC001352736456 1151769677 /nfs/dbraw/zinc/76/96/77/1151769677.db2.gz BCHRRWRHZDNULM-OAHLLOKOSA-N 1 0 321.440 2.235 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC23CC3)cc1C ZINC001167299493 776865206 /nfs/dbraw/zinc/86/52/06/776865206.db2.gz FIWAHFJCYFTNBK-HNNXBMFYSA-N 1 0 302.418 2.400 20 10 DECDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167431340 777026556 /nfs/dbraw/zinc/02/65/56/777026556.db2.gz UHSMCMVXTLXZHH-UHFFFAOYSA-N 1 0 312.417 2.454 20 10 DECDRO Oc1ccc(O)c(CN2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001141159219 778316950 /nfs/dbraw/zinc/31/69/50/778316950.db2.gz CKOSZLOJHWQRPP-UHFFFAOYSA-N 1 0 308.397 2.496 20 10 DECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@H]1Cc2ccccc2O1 ZINC001144520220 790939168 /nfs/dbraw/zinc/93/91/68/790939168.db2.gz MJKJHSXWYONQJX-CYBMUJFWSA-N 1 0 301.342 2.239 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1O ZINC000824798184 783607596 /nfs/dbraw/zinc/60/75/96/783607596.db2.gz IAAVXLZAMNGSST-ZIAGYGMSSA-N 1 0 304.390 2.034 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)OC)cc1C ZINC001155532167 784524451 /nfs/dbraw/zinc/52/44/51/784524451.db2.gz JQIQAJAPDZRKCN-AWEZNQCLSA-N 1 0 308.422 2.025 20 10 DECDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000691500247 786086474 /nfs/dbraw/zinc/08/64/74/786086474.db2.gz FMWBWMJCHYQAQX-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO CCc1ncoc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133584026 788501526 /nfs/dbraw/zinc/50/15/26/788501526.db2.gz MFSYCYUGLRXIHJ-UHFFFAOYSA-N 1 0 317.389 2.074 20 10 DECDRO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCCC[C@@H]1C ZINC001136243536 789671856 /nfs/dbraw/zinc/67/18/56/789671856.db2.gz GDHXZHGRCSXEPR-STQMWFEESA-N 1 0 306.406 2.019 20 10 DECDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)CC1 ZINC001148224970 791713858 /nfs/dbraw/zinc/71/38/58/791713858.db2.gz APCLMYYWAXKUFQ-BETUJISGSA-N 1 0 306.406 2.481 20 10 DECDRO [NH3+]C1(CC2CCC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148223952 791714000 /nfs/dbraw/zinc/71/40/00/791714000.db2.gz ASEPMIXSVMAVCS-UHFFFAOYSA-N 1 0 304.390 2.222 20 10 DECDRO [NH3+][C@H]1CCN(Cc2c(O)cccc2Br)CC[C@@H]1F ZINC001206172783 793472934 /nfs/dbraw/zinc/47/29/34/793472934.db2.gz BZFAFEYKTKMEPM-RYUDHWBXSA-N 1 0 317.202 2.416 20 10 DECDRO CCCOC1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001173087082 793578091 /nfs/dbraw/zinc/57/80/91/793578091.db2.gz ZUBIMDOLNXDECV-MQBCKMQZSA-N 1 0 309.406 2.459 20 10 DECDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001177062012 794570639 /nfs/dbraw/zinc/57/06/39/794570639.db2.gz ZFHVRSSRQSMVSC-GOSISDBHSA-N 1 0 318.461 2.458 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CO)c1cnn(C)c1 ZINC001116567152 794969616 /nfs/dbraw/zinc/96/96/16/794969616.db2.gz BIYZVKONPSNQRZ-XBFCOCLRSA-N 1 0 301.390 2.306 20 10 DECDRO Cc1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)ccc1N1CCCCC1 ZINC001118893102 795236339 /nfs/dbraw/zinc/23/63/39/795236339.db2.gz TVPBEQGHHOWYNQ-ROUUACIJSA-N 1 0 318.461 2.018 20 10 DECDRO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccccc1O ZINC001118933906 795240016 /nfs/dbraw/zinc/24/00/16/795240016.db2.gz VPJFKVHSVLKFDK-ZDUSSCGKSA-N 1 0 315.373 2.201 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[NH2+]CCC23CCC3)cc1 ZINC001119465772 795306612 /nfs/dbraw/zinc/30/66/12/795306612.db2.gz STXJYVKAOGUZLM-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181167565 795440396 /nfs/dbraw/zinc/44/03/96/795440396.db2.gz DMFBOFIPVOPAEP-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC001120616553 795499083 /nfs/dbraw/zinc/49/90/83/795499083.db2.gz BOWDNYLPFHDZNL-UONOGXRCSA-N 1 0 304.438 2.194 20 10 DECDRO COc1cc(C[NH+]2CCC3(CCOCC3)CC2)cc(O)c1O ZINC001204346470 795713601 /nfs/dbraw/zinc/71/36/01/795713601.db2.gz QODAIRAUXGLVFK-UHFFFAOYSA-N 1 0 307.390 2.499 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)C1=CCC[NH2+]CC1 ZINC001122035727 795719871 /nfs/dbraw/zinc/71/98/71/795719871.db2.gz JWZGCNBZPWUGFW-UHFFFAOYSA-N 1 0 300.402 2.197 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3ccno3)C2)cc1 ZINC001182854817 795767051 /nfs/dbraw/zinc/76/70/51/795767051.db2.gz LYEHHUVDIHSUJO-KGLIPLIRSA-N 1 0 301.390 2.483 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)n2C)cc1C ZINC001123496782 795921870 /nfs/dbraw/zinc/92/18/70/795921870.db2.gz DYJYOJYPBFXNKB-UHFFFAOYSA-N 1 0 315.417 2.170 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC001138153110 796172364 /nfs/dbraw/zinc/17/23/64/796172364.db2.gz XXRPTKFAIOYZJR-ZFWWWQNUSA-N 1 0 320.433 2.265 20 10 DECDRO C[C@]1(O)COCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215417 796184136 /nfs/dbraw/zinc/18/41/36/796184136.db2.gz FBOSDCOKRAFLKP-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@]23CCOC3)cc2c3c1CCCN3CCC2 ZINC001138341418 796200407 /nfs/dbraw/zinc/20/04/07/796200407.db2.gz GOWWGSKOOYFJDK-LJQANCHMSA-N 1 0 314.429 2.456 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@@H]1O ZINC001138496468 796227157 /nfs/dbraw/zinc/22/71/57/796227157.db2.gz QMRRABPIDYAAGH-QAPCUYQASA-N 1 0 304.434 2.116 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)C(C)(C)C3)cc2)CC1 ZINC001139413568 796373881 /nfs/dbraw/zinc/37/38/81/796373881.db2.gz XFDJMAHBQDFQGL-UHFFFAOYSA-N 1 0 315.461 2.239 20 10 DECDRO CCNC(=O)COC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140185496 796488537 /nfs/dbraw/zinc/48/85/37/796488537.db2.gz XJGUHRPREVGWJC-UHFFFAOYSA-N 1 0 320.433 2.126 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CCC4(COC4)CC3)cc2)CC1 ZINC001140281702 796500291 /nfs/dbraw/zinc/50/02/91/796500291.db2.gz LETILBAMVLQDEC-UHFFFAOYSA-N 1 0 316.445 2.260 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140288534 796502763 /nfs/dbraw/zinc/50/27/63/796502763.db2.gz VTTWOQVEWNHKNG-LPHOPBHVSA-N 1 0 316.445 2.259 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3C)cc2)CC1 ZINC001140302352 796503271 /nfs/dbraw/zinc/50/32/71/796503271.db2.gz PDEQBAMXRVONIQ-INIZCTEOSA-N 1 0 303.450 2.049 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC001140299756 796503444 /nfs/dbraw/zinc/50/34/44/796503444.db2.gz FCABMDDZAWFKTF-QGZVFWFLSA-N 1 0 317.477 2.439 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1 ZINC001140621646 796547058 /nfs/dbraw/zinc/54/70/58/796547058.db2.gz NYVWVKQUUQHWIC-GOSISDBHSA-N 1 0 310.401 2.345 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660333 796552038 /nfs/dbraw/zinc/55/20/38/796552038.db2.gz OLXGUEKSAFPNLY-OAHLLOKOSA-N 1 0 322.424 2.257 20 10 DECDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662555 796552846 /nfs/dbraw/zinc/55/28/46/796552846.db2.gz YMOJNDZONZUSSP-INIZCTEOSA-N 1 0 308.397 2.273 20 10 DECDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)n1 ZINC001140749661 796567752 /nfs/dbraw/zinc/56/77/52/796567752.db2.gz INDLYHLKUUHVRJ-CQSZACIVSA-N 1 0 315.373 2.158 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)c(O)c1 ZINC001140856025 796583856 /nfs/dbraw/zinc/58/38/56/796583856.db2.gz PHMJJUXGLCTTSS-AWEZNQCLSA-N 1 0 319.449 2.291 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCc2cccnc2)c(OC)c1 ZINC001141028366 796620715 /nfs/dbraw/zinc/62/07/15/796620715.db2.gz LZXNTAMMHZTFCZ-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO COCC[NH+](CCOC)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074324 796631918 /nfs/dbraw/zinc/63/19/18/796631918.db2.gz FECWWJNEJKJIHU-UHFFFAOYSA-N 1 0 318.461 2.480 20 10 DECDRO CN1CCOc2cc(C[NH+]3CCC4(C[C@@H]4CCO)CC3)ccc21 ZINC001141140058 796637863 /nfs/dbraw/zinc/63/78/63/796637863.db2.gz HUHFJAOCFBPMTH-INIZCTEOSA-N 1 0 316.445 2.500 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143751 796638617 /nfs/dbraw/zinc/63/86/17/796638617.db2.gz IVVWXLBFRFCYTD-SFHVURJKSA-N 1 0 318.417 2.290 20 10 DECDRO Oc1ccc(O)c(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001141158716 796642022 /nfs/dbraw/zinc/64/20/22/796642022.db2.gz KVDRICJRNOEZGR-UHFFFAOYSA-N 1 0 312.413 2.458 20 10 DECDRO CCN1C(=O)CCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141157108 796642133 /nfs/dbraw/zinc/64/21/33/796642133.db2.gz BZEIRSIHIALNEE-UHFFFAOYSA-N 1 0 304.390 2.075 20 10 DECDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159207 796642341 /nfs/dbraw/zinc/64/23/41/796642341.db2.gz CECIZUCBDJFNPZ-GFCCVEGCSA-N 1 0 322.405 2.444 20 10 DECDRO O=C(c1ccco1)N1CCCN(Cc2cc(O)ccc2O)CC1 ZINC001141160682 796643273 /nfs/dbraw/zinc/64/32/73/796643273.db2.gz HDWXSORDLPMOJB-UHFFFAOYSA-N 1 0 316.357 2.039 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)CC[NH2+]1 ZINC000841857201 796745110 /nfs/dbraw/zinc/74/51/10/796745110.db2.gz NSTCJFZNKOAERK-WDEREUQCSA-N 1 0 314.480 2.065 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC001143103857 796802677 /nfs/dbraw/zinc/80/26/77/796802677.db2.gz LXUZSKRHKHETRS-HNNXBMFYSA-N 1 0 304.434 2.206 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCCCCF)cc1 ZINC001153047804 797276534 /nfs/dbraw/zinc/27/65/34/797276534.db2.gz LBJIKUBQFZSAML-UHFFFAOYSA-N 1 0 323.372 2.308 20 10 DECDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193225978 797535322 /nfs/dbraw/zinc/53/53/22/797535322.db2.gz UXORHMXVSAIPEY-UHFFFAOYSA-N 1 0 312.797 2.308 20 10 DECDRO CCO[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155081164 797676529 /nfs/dbraw/zinc/67/65/29/797676529.db2.gz DILKIJVOESHHPB-NVXWUHKLSA-N 1 0 320.433 2.025 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncnc4cc[nH]c43)cc2)CC1 ZINC001156652654 798053729 /nfs/dbraw/zinc/05/37/29/798053729.db2.gz 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Cc1cnc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)nc1 ZINC001203935244 800147626 /nfs/dbraw/zinc/14/76/26/800147626.db2.gz AMJQSRGGLXPQQW-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO COc1ccccc1N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204273135 800198222 /nfs/dbraw/zinc/19/82/22/800198222.db2.gz ZKKBBHDUZYMODD-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@@H]21 ZINC001204274088 800198460 /nfs/dbraw/zinc/19/84/60/800198460.db2.gz IAKALGLYZLIWIQ-BBRMVZONSA-N 1 0 318.417 2.177 20 10 DECDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278097 800199078 /nfs/dbraw/zinc/19/90/78/800199078.db2.gz SVJJNHJJRLYZAI-UHFFFAOYSA-N 1 0 321.421 2.114 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2ccccc21 ZINC001204277851 800199392 /nfs/dbraw/zinc/19/93/92/800199392.db2.gz MJBKRIMVVYAFED-INIZCTEOSA-N 1 0 313.353 2.370 20 10 DECDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204283000 800200195 /nfs/dbraw/zinc/20/01/95/800200195.db2.gz WDSIZZFQXKDGIV-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/48/86/44/800488644.db2.gz SSJRGIPQRPYPCG-OLZOCXBDSA-N 1 0 302.777 2.315 20 10 DECDRO Cc1cccc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c1O ZINC001231593725 801692098 /nfs/dbraw/zinc/69/20/98/801692098.db2.gz LMAWJCGNEQWIBJ-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231852280 801737131 /nfs/dbraw/zinc/73/71/31/801737131.db2.gz UACLOYCIESURRY-UHFFFAOYSA-N 1 0 306.406 2.146 20 10 DECDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231849157 801737222 /nfs/dbraw/zinc/73/72/22/801737222.db2.gz OYBGNAIUSAMPEI-OAHLLOKOSA-N 1 0 320.433 2.126 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001231854234 801738853 /nfs/dbraw/zinc/73/88/53/801738853.db2.gz CHMBBPOCWDKAQC-GOSISDBHSA-N 1 0 303.450 2.289 20 10 DECDRO OCCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231879337 801741876 /nfs/dbraw/zinc/74/18/76/801741876.db2.gz BRKVPPXHXCJFON-UHFFFAOYSA-N 1 0 300.402 2.045 20 10 DECDRO OC[C@]1(F)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232259242 801830823 /nfs/dbraw/zinc/83/08/23/801830823.db2.gz HZUUKBYUPYGLQP-AWEZNQCLSA-N 1 0 303.761 2.438 20 10 DECDRO CCC(=O)NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267656 801832793 /nfs/dbraw/zinc/83/27/93/801832793.db2.gz KANADJDNCAKKPK-UHFFFAOYSA-N 1 0 312.797 2.242 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001232838192 801969795 /nfs/dbraw/zinc/96/97/95/801969795.db2.gz QRGMBNZCWWXHQO-SFHVURJKSA-N 1 0 317.433 2.093 20 10 DECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840994 801970427 /nfs/dbraw/zinc/97/04/27/801970427.db2.gz PJBHBQMHILJNBE-ZDUSSCGKSA-N 1 0 306.406 2.233 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c(O)c1 ZINC001232841352 801970769 /nfs/dbraw/zinc/97/07/69/801970769.db2.gz DLUJKKJMRIJCHX-UHFFFAOYSA-N 1 0 317.433 2.045 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@H](CO)C2)c2ccccc2n1C ZINC001233272337 802059406 /nfs/dbraw/zinc/05/94/06/802059406.db2.gz HKOWUHQEJQPCDR-CYBMUJFWSA-N 1 0 316.401 2.169 20 10 DECDRO C[C@@H]1C(=O)N(C)CCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233454764 802120828 /nfs/dbraw/zinc/12/08/28/802120828.db2.gz JNEUIWKPYGERTJ-SECBINFHSA-N 1 0 302.296 2.074 20 10 DECDRO CN1CC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]21 ZINC001233761616 802200399 /nfs/dbraw/zinc/20/03/99/802200399.db2.gz WSSDSUXFHAXJSJ-CMPLNLGQSA-N 1 0 316.323 2.427 20 10 DECDRO C[NH+](C)C1CCC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949825 802250733 /nfs/dbraw/zinc/25/07/33/802250733.db2.gz OZUCXLXWKOBSAS-UHFFFAOYSA-N 1 0 303.362 2.293 20 10 DECDRO [NH3+][C@H](Cc1ccnc2ccccc12)C(=O)NCc1ccccc1O ZINC001219923512 802391227 /nfs/dbraw/zinc/39/12/27/802391227.db2.gz PTBRPNOMIWMWOS-MRXNPFEDSA-N 1 0 321.380 2.127 20 10 DECDRO C[C@@]1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC[NH2+]C1 ZINC001220212657 802426662 /nfs/dbraw/zinc/42/66/62/802426662.db2.gz RHLGVPWPCJPJJN-MRXNPFEDSA-N 1 0 319.792 2.210 20 10 DECDRO CC[N@H+](C)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC001227356011 803233243 /nfs/dbraw/zinc/23/32/43/803233243.db2.gz ODGKGVCCNAIGJE-KRWDZBQOSA-N 1 0 318.465 2.297 20 10 DECDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(N(C)C)cc3)C[C@H]1[N@@H+]2C ZINC001227939336 803297510 /nfs/dbraw/zinc/29/75/10/803297510.db2.gz SKJKKSXCNSMPAO-DZJNRPSUSA-N 1 0 318.417 2.298 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC001335969586 1150572191 /nfs/dbraw/zinc/57/21/91/1150572191.db2.gz WZBAQIVQKXDTMQ-AWEZNQCLSA-N 1 0 304.438 2.188 20 10 DECDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001328709183 1148826294 /nfs/dbraw/zinc/82/62/94/1148826294.db2.gz VOFCIARFEZGURQ-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3c(O)cccc3F)C[N@@H+]2C1 ZINC001529018833 1070815260 /nfs/dbraw/zinc/81/52/60/1070815260.db2.gz VONSFDOPIUNCPQ-FRRDWIJNSA-N 1 0 306.381 2.268 20 10 DECDRO CCC[NH+](CCC)CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001464831985 1059209547 /nfs/dbraw/zinc/20/95/47/1059209547.db2.gz YKEFPOJFUFBXJA-UHFFFAOYSA-N 1 0 308.422 2.269 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC001474554129 1060893584 /nfs/dbraw/zinc/89/35/84/1060893584.db2.gz FABQNCMWXAOOPJ-AWEZNQCLSA-N 1 0 318.417 2.154 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H]4COC[C@H]34)C2)cc1 ZINC001474592945 1060898188 /nfs/dbraw/zinc/89/81/88/1060898188.db2.gz YBNWLUWUGCCREY-KJWYOANISA-N 1 0 302.418 2.146 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccsn2)cc1C ZINC001493596308 1063879122 /nfs/dbraw/zinc/87/91/22/1063879122.db2.gz WRXDGJBRRMIQHQ-UHFFFAOYSA-N 1 0 319.430 2.322 20 10 DECDRO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 ZINC001567354137 1064154917 /nfs/dbraw/zinc/15/49/17/1064154917.db2.gz SCGNIOJSJNQJDH-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001621306700 1078171919 /nfs/dbraw/zinc/17/19/19/1078171919.db2.gz SMOPDGMURCCECW-DYVFJYSZSA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001621306701 1078172070 /nfs/dbraw/zinc/17/20/70/1078172070.db2.gz SMOPDGMURCCECW-GUYCJALGSA-N 1 0 307.390 2.089 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001628693863 1078301997 /nfs/dbraw/zinc/30/19/97/1078301997.db2.gz VDUNJOPOOHUMAP-CYBMUJFWSA-N 1 0 306.406 2.021 20 10 DECDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575512184 1066329623 /nfs/dbraw/zinc/32/96/23/1066329623.db2.gz XXTNHAKUJGEXSV-NSHDSACASA-N 1 0 320.414 2.383 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632762368 1078391096 /nfs/dbraw/zinc/39/10/96/1078391096.db2.gz ZVTVBTWKOWXLKJ-CYBMUJFWSA-N 1 0 317.393 2.452 20 10 DECDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC001577687755 1066904545 /nfs/dbraw/zinc/90/45/45/1066904545.db2.gz RVBLNULERNMXKM-AWEZNQCLSA-N 1 0 306.454 2.231 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC001635001063 1078441861 /nfs/dbraw/zinc/44/18/61/1078441861.db2.gz AFZGALYBPSGYAS-OAHLLOKOSA-N 1 0 323.412 2.451 20 10 DECDRO COc1ccc(N2CCC[N@H+](CC3(C[NH3+])CCC3)CC2)cc1 ZINC001579225247 1067264192 /nfs/dbraw/zinc/26/41/92/1067264192.db2.gz HKASHXJTLNUYBA-UHFFFAOYSA-N 1 0 303.450 2.336 20 10 DECDRO Cc1cc(CNC(=O)N2CCC23C[NH2+]C3)c(C)n1-c1ccccc1 ZINC001579602217 1067381155 /nfs/dbraw/zinc/38/11/55/1067381155.db2.gz XTWKAUISTGGCMX-UHFFFAOYSA-N 1 0 324.428 2.351 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[NH2+]CC(C)C ZINC001579616865 1067385356 /nfs/dbraw/zinc/38/53/56/1067385356.db2.gz HCXAIFNMKFPQPY-HNNXBMFYSA-N 1 0 305.466 2.354 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC001642503825 1078757281 /nfs/dbraw/zinc/75/72/81/1078757281.db2.gz BNZPGPNTPVLGDF-SNVBAGLBSA-N 1 0 320.349 2.165 20 10 DECDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272386829 1078845885 /nfs/dbraw/zinc/84/58/85/1078845885.db2.gz RISITEADCQWKCT-GOSISDBHSA-N 1 0 318.417 2.178 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)cc1 ZINC001649389509 1079116288 /nfs/dbraw/zinc/11/62/88/1079116288.db2.gz SNVJEYWOYMUDNA-MRXNPFEDSA-N 1 0 324.428 2.290 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCC1CC1 ZINC001560306621 1075136424 /nfs/dbraw/zinc/13/64/24/1075136424.db2.gz RRCDNQOELACUPX-GOSISDBHSA-N 1 0 304.434 2.164 20 10 DECDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001561046200 1075149768 /nfs/dbraw/zinc/14/97/68/1075149768.db2.gz FOMGDAJOGTUGRZ-QGZVFWFLSA-N 1 0 316.449 2.235 20 10 DECDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001580813478 1076001476 /nfs/dbraw/zinc/00/14/76/1076001476.db2.gz ZVHFZRSWDKDCJG-WDEREUQCSA-N 1 0 318.398 2.279 20 10 DECDRO COc1ccc(N2CCN(CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000020180496 1076076831 /nfs/dbraw/zinc/07/68/31/1076076831.db2.gz XGGVBJFQPHMWQA-MRXNPFEDSA-N 1 0 303.450 2.349 20 10 DECDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001585125640 1076339542 /nfs/dbraw/zinc/33/95/42/1076339542.db2.gz OYPBAJKMHOKKFH-HIFRSBDPSA-N 1 0 320.433 2.362 20 10 DECDRO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001654115062 1079954009 /nfs/dbraw/zinc/95/40/09/1079954009.db2.gz ZKUNMDSMHYFLRV-WMLDXEAASA-N 1 0 320.433 2.262 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CN1CCOCC1 ZINC001656592692 1080105451 /nfs/dbraw/zinc/10/54/51/1080105451.db2.gz ZQGRXPJCZNCHNT-KRWDZBQOSA-N 1 0 317.477 2.345 20 10 DECDRO OCCCCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001657010901 1080146305 /nfs/dbraw/zinc/14/63/05/1080146305.db2.gz FSOAPPCSFYGSMR-UHFFFAOYSA-N 1 0 310.413 2.305 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCCN1CCCO ZINC001657417384 1080172741 /nfs/dbraw/zinc/17/27/41/1080172741.db2.gz HXWYZRLQPDWYNA-INIZCTEOSA-N 1 0 315.461 2.423 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC001658202662 1080201471 /nfs/dbraw/zinc/20/14/71/1080201471.db2.gz ZOVMCCGQMKMHCC-UHFFFAOYSA-N 1 0 306.450 2.404 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(O)c1 ZINC001659130866 1080232248 /nfs/dbraw/zinc/23/22/48/1080232248.db2.gz NSAPVMLVEWOIJW-CYBMUJFWSA-N 1 0 301.390 2.432 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C)cc1Br ZINC001237678151 1080472677 /nfs/dbraw/zinc/47/26/77/1080472677.db2.gz VGYYQHDYHCVORT-MWLCHTKSSA-N 1 0 300.196 2.418 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC3(C2)OCCO3)cc1F ZINC001662063373 1080566329 /nfs/dbraw/zinc/56/63/29/1080566329.db2.gz IHMIKWTVEOFTQU-LBPRGKRZSA-N 1 0 312.360 2.416 20 10 DECDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc[nH]c2)cc1C ZINC001268539366 1080734316 /nfs/dbraw/zinc/73/43/16/1080734316.db2.gz HUTMRKGHGAFFJW-ARJAWSKDSA-N 1 0 313.401 2.408 20 10 DECDRO COC(=O)N1CCC([NH2+]Cc2c(C)cc(OC)cc2O)CC1 ZINC001664470734 1080913326 /nfs/dbraw/zinc/91/33/26/1080913326.db2.gz LVQVZYMRVQPFRH-UHFFFAOYSA-N 1 0 308.378 2.030 20 10 DECDRO CCOc1ccc(N2CC3(CC[N@@H+]3CCn3ccnc3)C2)cc1 ZINC001276926236 1083682043 /nfs/dbraw/zinc/68/20/43/1083682043.db2.gz PBXLSLUVUMZFNM-UHFFFAOYSA-N 1 0 312.417 2.247 20 10 DECDRO NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001277209020 1083846266 /nfs/dbraw/zinc/84/62/66/1083846266.db2.gz DVHHUBCANAQWFX-MXSMSXNCSA-N 1 0 313.445 2.276 20 10 DECDRO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc2c(c1)CCCN2C ZINC001277257181 1083877750 /nfs/dbraw/zinc/87/77/50/1083877750.db2.gz ZFJTUUQRJTWJHX-APWZRJJASA-N 1 0 313.445 2.122 20 10 DECDRO O=C([C@@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2)N1CC=CC1 ZINC001277456755 1083981401 /nfs/dbraw/zinc/98/14/01/1083981401.db2.gz CJLAYAJKZZHVJF-AWEZNQCLSA-N 1 0 318.804 2.266 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)CC1 ZINC001234660089 1084190793 /nfs/dbraw/zinc/19/07/93/1084190793.db2.gz DDGXEEBOBNIVLO-MRXNPFEDSA-N 1 0 306.474 2.302 20 10 DECDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001235246536 1084359111 /nfs/dbraw/zinc/35/91/11/1084359111.db2.gz YXIWQOUETNLFIY-QMTHXVAHSA-N 1 0 311.223 2.468 20 10 DECDRO CC(C)(C)c1ccc(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001235676763 1084496491 /nfs/dbraw/zinc/49/64/91/1084496491.db2.gz UCWQQBLMRHIUTD-UHFFFAOYSA-N 1 0 304.434 2.206 20 10 DECDRO CC1(C)CN(Cc2cccc(OC(F)(F)F)c2O)CC[NH2+]1 ZINC001235838774 1084544769 /nfs/dbraw/zinc/54/47/69/1084544769.db2.gz YZGWQZHRYKOCBH-UHFFFAOYSA-N 1 0 304.312 2.475 20 10 DECDRO CCCC[C@@H]1CN(Cc2c(O)cc(OC)cc2OC)CC[NH2+]1 ZINC001236138760 1084620323 /nfs/dbraw/zinc/62/03/23/1084620323.db2.gz SKZGKSWQPODMQO-CYBMUJFWSA-N 1 0 308.422 2.373 20 10 DECDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272982111 1085777280 /nfs/dbraw/zinc/77/72/80/1085777280.db2.gz FJXFERDHTJMKLH-UGSOOPFHSA-N 1 0 318.417 2.463 20 10 DECDRO [NH3+]CC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715766048 1085829651 /nfs/dbraw/zinc/82/96/51/1085829651.db2.gz MOMUNKLTOWPRCO-UHFFFAOYSA-N 1 0 317.202 2.465 20 10 DECDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001273107792 1086215173 /nfs/dbraw/zinc/21/51/73/1086215173.db2.gz FNJLUGNACUTTQE-INIZCTEOSA-N 1 0 322.792 2.017 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(F)ccc1O ZINC000694605532 1086609486 /nfs/dbraw/zinc/60/94/86/1086609486.db2.gz YMJVQGHHDSAHKD-CMPLNLGQSA-N 1 0 301.383 2.149 20 10 DECDRO COCCOCCC[NH2+]Cc1c(O)cccc1Br ZINC000706842389 1086653914 /nfs/dbraw/zinc/65/39/14/1086653914.db2.gz DZLMYUWBZNQYOQ-UHFFFAOYSA-N 1 0 318.211 2.297 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2C)c(O)c1OC ZINC001119940760 1090576179 /nfs/dbraw/zinc/57/61/79/1090576179.db2.gz LTOIZNBRHHSUHO-SNVBAGLBSA-N 1 0 305.378 2.302 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001274660471 1091355893 /nfs/dbraw/zinc/35/58/93/1091355893.db2.gz MMCYAYFMTQNZBH-OAHLLOKOSA-N 1 0 318.417 2.057 20 10 DECDRO C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001276055697 1091496834 /nfs/dbraw/zinc/49/68/34/1091496834.db2.gz NLBDWLRCWNEOGK-UHFFFAOYSA-N 1 0 304.390 2.008 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c1 ZINC001275419432 1091732481 /nfs/dbraw/zinc/73/24/81/1091732481.db2.gz YRGHOWHQSYWMDH-SUMWQHHRSA-N 1 0 313.401 2.132 20 10 DECDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(O)cccc1Br)C2 ZINC001275948291 1092365308 /nfs/dbraw/zinc/36/53/08/1092365308.db2.gz XKWKOFFUYIDDLW-MNOVXSKESA-N 1 0 311.223 2.291 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c1O ZINC001274122260 1093809394 /nfs/dbraw/zinc/80/93/94/1093809394.db2.gz GDVUUJWICPPOQL-MRXNPFEDSA-N 1 0 324.808 2.251 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)cc1Cl ZINC001274216374 1093855229 /nfs/dbraw/zinc/85/52/29/1093855229.db2.gz BUALZZGCHONMIN-MRXNPFEDSA-N 1 0 308.809 2.408 20 10 DECDRO CCOC(=O)CN(CCC[NH3+])Cc1cccc(C(C)(C)C)c1O ZINC001236306047 1138349801 /nfs/dbraw/zinc/34/98/01/1138349801.db2.gz ONCRNKJJPNTBBS-UHFFFAOYSA-N 1 0 322.449 2.404 20 10 DECDRO CCc1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001236788147 1138428709 /nfs/dbraw/zinc/42/87/09/1138428709.db2.gz SEAAZZNTYUHJGM-CALCHBBNSA-N 1 0 324.428 2.313 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1cc2ccccc2cc1O ZINC001236836569 1138441965 /nfs/dbraw/zinc/44/19/65/1138441965.db2.gz KQNGAXKBLRNYRJ-KRWDZBQOSA-N 1 0 300.402 2.308 20 10 DECDRO O=C1NCC2(CC[NH+](Cc3cc4ccccc4cc3O)CC2)N1 ZINC001236838135 1138442430 /nfs/dbraw/zinc/44/24/30/1138442430.db2.gz VLEIAUTXTGJNRC-UHFFFAOYSA-N 1 0 311.385 2.193 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CC(C(F)F)C3)c(F)c2)CC1 ZINC001236946216 1138463909 /nfs/dbraw/zinc/46/39/09/1138463909.db2.gz MNTXPAHYDRHSNX-UHFFFAOYSA-N 1 0 313.367 2.274 20 10 DECDRO Cc1cc(CN2CC[NH2+]C[C@H]2C(F)(F)F)ccc1N(C)C ZINC001236974826 1138472597 /nfs/dbraw/zinc/47/25/97/1138472597.db2.gz DONFJXPIZRYLEL-AWEZNQCLSA-N 1 0 301.356 2.397 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001237047512 1138487246 /nfs/dbraw/zinc/48/72/46/1138487246.db2.gz ZJMJECDNEPZNPV-QGZVFWFLSA-N 1 0 305.374 2.463 20 10 DECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCC)cc3O)C[C@@H]21 ZINC001237045679 1138487733 /nfs/dbraw/zinc/48/77/33/1138487733.db2.gz IGOXPYQEVYRWMX-FOLVSLTJSA-N 1 0 305.374 2.032 20 10 DECDRO C[NH+](C)C1(C)CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237059442 1138492562 /nfs/dbraw/zinc/49/25/62/1138492562.db2.gz NLDXTCNTXGWZNR-UHFFFAOYSA-N 1 0 318.339 2.469 20 10 DECDRO COCCC[NH+]1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237123046 1138507721 /nfs/dbraw/zinc/50/77/21/1138507721.db2.gz BFOZHPJRUKTUIB-UHFFFAOYSA-N 1 0 316.804 2.339 20 10 DECDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237202273 1138528706 /nfs/dbraw/zinc/52/87/06/1138528706.db2.gz DYSLDKNTWWEFPU-OAHLLOKOSA-N 1 0 322.474 2.153 20 10 DECDRO COc1cc(CN2CCC([NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC001237671395 1138747374 /nfs/dbraw/zinc/74/73/74/1138747374.db2.gz BLUJGZUDSGLQTP-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO CCN(CC[NH+]1CCCC1)Cc1cc(OC)cc(OC)c1O ZINC001237676216 1138750854 /nfs/dbraw/zinc/75/08/54/1138750854.db2.gz LBBNIMKUWLFXRW-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1O ZINC001238066118 1138819732 /nfs/dbraw/zinc/81/97/32/1138819732.db2.gz IDWCCYWELOJUAV-UHFFFAOYSA-N 1 0 309.385 2.075 20 10 DECDRO CC(C)(C)NC(=O)[C@@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254642 1138860474 /nfs/dbraw/zinc/86/04/74/1138860474.db2.gz COCGZVPHTNLUBS-ZDUSSCGKSA-N 1 0 306.381 2.268 20 10 DECDRO NC(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001278254780 1138860523 /nfs/dbraw/zinc/86/05/23/1138860523.db2.gz HXIDLTRQFQASNL-GFCCVEGCSA-N 1 0 306.381 2.399 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320140232 1140828387 /nfs/dbraw/zinc/82/83/87/1140828387.db2.gz SVQRQYDYYOXZTO-GOSISDBHSA-N 1 0 320.433 2.345 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c1O ZINC001322987354 1141791771 /nfs/dbraw/zinc/79/17/71/1141791771.db2.gz ZQVLWWKYUBGFIO-UHFFFAOYSA-N 1 0 314.385 2.440 20 10 DECDRO CCCOC1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201601 1141859113 /nfs/dbraw/zinc/85/91/13/1141859113.db2.gz ZSIHZLTXDPDOFX-UHFFFAOYSA-N 1 0 321.417 2.499 20 10 DECDRO COC(=O)Cc1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c(O)c1 ZINC001249218663 1141860721 /nfs/dbraw/zinc/86/07/21/1141860721.db2.gz ZJZHVEDWRWRTOO-AWEZNQCLSA-N 1 0 320.433 2.022 20 10 DECDRO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c(O)cc1Br ZINC001250120486 1142084037 /nfs/dbraw/zinc/08/40/37/1142084037.db2.gz FTYMYHJFJRIMSL-KOLCDFICSA-N 1 0 300.196 2.418 20 10 DECDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC001251073540 1142377918 /nfs/dbraw/zinc/37/79/18/1142377918.db2.gz JKGKRTQBNBIDNM-UHFFFAOYSA-N 1 0 321.417 2.275 20 10 DECDRO CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1[NH3+] ZINC001336732128 1142551506 /nfs/dbraw/zinc/55/15/06/1142551506.db2.gz ANEUJJBGPMDMND-MRXNPFEDSA-N 1 0 316.449 2.166 20 10 DECDRO Oc1cccc2c1C[N@H+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252285110 1142673193 /nfs/dbraw/zinc/67/31/93/1142673193.db2.gz UROQXPZEJUOMOU-KRWDZBQOSA-N 1 0 313.397 2.328 20 10 DECDRO CCCCOC[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252514099 1142743135 /nfs/dbraw/zinc/74/31/35/1142743135.db2.gz BIQUTQYAQRFJMZ-OAHLLOKOSA-N 1 0 309.406 2.024 20 10 DECDRO COc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001252734278 1142812815 /nfs/dbraw/zinc/81/28/15/1142812815.db2.gz VMDKASZTHIPMNI-ZIAGYGMSSA-N 1 0 317.385 2.491 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254328668 1143082726 /nfs/dbraw/zinc/08/27/26/1143082726.db2.gz WCQCZAKMSYRURL-BLLLJJGKSA-N 1 0 323.458 2.409 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001339835049 1143124620 /nfs/dbraw/zinc/12/46/20/1143124620.db2.gz IXFVNHDVAGMGMO-ZIAGYGMSSA-N 1 0 309.385 2.203 20 10 DECDRO CSCC[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001340186022 1143294164 /nfs/dbraw/zinc/29/41/64/1143294164.db2.gz UFZLDQPHXXPBTE-AWEZNQCLSA-N 1 0 309.479 2.182 20 10 DECDRO OCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001255461095 1143643303 /nfs/dbraw/zinc/64/33/03/1143643303.db2.gz OBKTUMAFYZKYQS-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC001341660226 1143653017 /nfs/dbraw/zinc/65/30/17/1143653017.db2.gz VHRIONYWAWGOGE-YJBOKZPZSA-N 1 0 301.434 2.149 20 10 DECDRO CCOc1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001255495043 1143714624 /nfs/dbraw/zinc/71/46/24/1143714624.db2.gz MMAKWCZREPGLPL-KRWDZBQOSA-N 1 0 303.450 2.302 20 10 DECDRO COc1ccc(N2CCN(C(=O)C[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC001263092484 1144354972 /nfs/dbraw/zinc/35/49/72/1144354972.db2.gz UZUSSFORAJDPEE-OAHLLOKOSA-N 1 0 319.449 2.107 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263110934 1144356768 /nfs/dbraw/zinc/35/67/68/1144356768.db2.gz LWVYCOAQHKLIIP-SQNIBIBYSA-N 1 0 315.461 2.345 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(F)c[nH]2)cc1C ZINC001265801390 1144742333 /nfs/dbraw/zinc/74/23/33/1144742333.db2.gz XTEFROBVGBBLHQ-GFCCVEGCSA-N 1 0 319.380 2.379 20 10 DECDRO CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001282242720 1145021039 /nfs/dbraw/zinc/02/10/39/1145021039.db2.gz SQSBNVFGVWMWMW-GHMZBOCLSA-N 1 0 305.382 2.355 20 10 DECDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1c(F)ccc(O)c1O ZINC001306671293 1147388037 /nfs/dbraw/zinc/38/80/37/1147388037.db2.gz QATFZSPMTXQFAL-GFCCVEGCSA-N 1 0 322.380 2.231 20 10 DECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001353540418 1151837052 /nfs/dbraw/zinc/83/70/52/1151837052.db2.gz ULQRBIKAUQRODE-CZUORRHYSA-N 1 0 302.422 2.037 20 10 DECDRO CSCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)N(C)C ZINC000834803899 649849147 /nfs/dbraw/zinc/84/91/47/649849147.db2.gz ZXELNJLIDOMXHZ-STQMWFEESA-N 1 0 308.447 2.179 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000090885697 355568818 /nfs/dbraw/zinc/56/88/18/355568818.db2.gz XBTBMRQICZAPSS-DYVFJYSZSA-N 1 0 302.422 2.260 20 10 DECDRO Cc1cc(N(C)C)ccc1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092898300 355655991 /nfs/dbraw/zinc/65/59/91/355655991.db2.gz PSLICCLQEPQGGP-UHFFFAOYSA-N 1 0 323.404 2.231 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000093454972 355682116 /nfs/dbraw/zinc/68/21/16/355682116.db2.gz FQXPVSDEKGRSIG-QGZVFWFLSA-N 1 0 315.417 2.380 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000294686160 224167236 /nfs/dbraw/zinc/16/72/36/224167236.db2.gz BNWJIUFWWCCMOO-OAHLLOKOSA-N 1 0 305.349 2.233 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000372045445 533545319 /nfs/dbraw/zinc/54/53/19/533545319.db2.gz CLGIFZANNKSGIO-ZBFHGGJFSA-N 1 0 313.449 2.416 20 10 DECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272581930 130043617 /nfs/dbraw/zinc/04/36/17/130043617.db2.gz FCESCVXFFSZLMY-HEWZJLJBSA-N 1 0 318.417 2.444 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000273404496 130117822 /nfs/dbraw/zinc/11/78/22/130117822.db2.gz ODUYCVSGDVXNOE-OLZOCXBDSA-N 1 0 323.458 2.356 20 10 DECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274911260 130273929 /nfs/dbraw/zinc/27/39/29/130273929.db2.gz IZLWAIWPIZCWMT-RYUDHWBXSA-N 1 0 308.422 2.312 20 10 DECDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298162989 132048808 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CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154603261 402221253 /nfs/dbraw/zinc/22/12/53/402221253.db2.gz APBALTYHVDRLFM-CXAGYDPISA-N 1 0 310.413 2.474 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000176627111 402324765 /nfs/dbraw/zinc/32/47/65/402324765.db2.gz BTNWCZIKIICHSF-ZIAGYGMSSA-N 1 0 321.421 2.073 20 10 DECDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184881976 402306182 /nfs/dbraw/zinc/30/61/82/402306182.db2.gz DOMMJKOINCSTRS-VIFPVBQESA-N 1 0 315.211 2.332 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000185213409 402334687 /nfs/dbraw/zinc/33/46/87/402334687.db2.gz SPWSLQVVZXLASO-UHFFFAOYSA-N 1 0 315.435 2.095 20 10 DECDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186202262 402409732 /nfs/dbraw/zinc/40/97/32/402409732.db2.gz NTQVXCVLFHXJMG-GXSJLCMTSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Br)cc1O ZINC000186221725 402412748 /nfs/dbraw/zinc/41/27/48/402412748.db2.gz IBYNYUZNMDUQPS-QMMMGPOBSA-N 1 0 315.211 2.317 20 10 DECDRO C[C@@H]([NH2+]CCCOCCO)c1cc(Br)ccc1O ZINC000186513685 402437774 /nfs/dbraw/zinc/43/77/74/402437774.db2.gz KCZYSKGLBBIAQO-SNVBAGLBSA-N 1 0 318.211 2.204 20 10 DECDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000187000360 402476928 /nfs/dbraw/zinc/47/69/28/402476928.db2.gz CUQDEKAHXZPFJZ-UHFFFAOYSA-N 1 0 314.385 2.480 20 10 DECDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2O)C[C@@H](C)O1 ZINC000179563623 402594531 /nfs/dbraw/zinc/59/45/31/402594531.db2.gz FUXUZJBDJDRDCR-INMHGKMJSA-N 1 0 304.434 2.466 20 10 DECDRO Cc1nsc(N2CCC[N@H+](Cc3ccccc3O)CC2)n1 ZINC000179581225 402595440 /nfs/dbraw/zinc/59/54/40/402595440.db2.gz FCHQOYQGZOQKND-UHFFFAOYSA-N 1 0 304.419 2.264 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccn1 ZINC000248599621 402598124 /nfs/dbraw/zinc/59/81/24/402598124.db2.gz IVRFFWOXDMWTHK-BHYGNILZSA-N 1 0 324.428 2.298 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000180484250 402618030 /nfs/dbraw/zinc/61/80/30/402618030.db2.gz WYERDWIEAJWANG-MRXNPFEDSA-N 1 0 300.358 2.449 20 10 DECDRO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000261671715 402715445 /nfs/dbraw/zinc/71/54/45/402715445.db2.gz GTEXYQLEUVMNQP-GFCCVEGCSA-N 1 0 315.417 2.440 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1O ZINC000183247757 402750556 /nfs/dbraw/zinc/75/05/56/402750556.db2.gz UXUYGYDBSIJHSZ-CQSZACIVSA-N 1 0 307.390 2.376 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000195311914 402841719 /nfs/dbraw/zinc/84/17/19/402841719.db2.gz SKBSMRVHNQEQLF-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO COc1c(O)c(CN(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000278110179 402856313 /nfs/dbraw/zinc/85/63/13/402856313.db2.gz ABABPBJXWJHEGV-UHFFFAOYSA-N 1 0 323.393 2.225 20 10 DECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(F)ccc1O ZINC000278811836 402874088 /nfs/dbraw/zinc/87/40/88/402874088.db2.gz XIEYJEDCLCEHJL-CYBMUJFWSA-N 1 0 308.397 2.216 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280386764 402994953 /nfs/dbraw/zinc/99/49/53/402994953.db2.gz FWANBEYTOVIGPC-CYBMUJFWSA-N 1 0 307.390 2.171 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000280619464 403019602 /nfs/dbraw/zinc/01/96/02/403019602.db2.gz ZPGIVZFHGKTBGP-GDZNZVCISA-N 1 0 307.390 2.169 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])C(C)C)c(C)n1-c1ccccn1 ZINC000269295413 403128920 /nfs/dbraw/zinc/12/89/20/403128920.db2.gz VUHKNAMSCUGZRJ-HNNXBMFYSA-N 1 0 300.406 2.202 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277482183 403222182 /nfs/dbraw/zinc/22/21/82/403222182.db2.gz IVSJZUFSAMCZDS-FUVBFXSKSA-N 1 0 316.401 2.244 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000276494596 403180722 /nfs/dbraw/zinc/18/07/22/403180722.db2.gz BGAMBHGAWWKIMM-WDEREUQCSA-N 1 0 310.369 2.087 20 10 DECDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000294230207 403678202 /nfs/dbraw/zinc/67/82/02/403678202.db2.gz SSRRUMIYEBKEBD-YJBOKZPZSA-N 1 0 304.434 2.441 20 10 DECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000295024001 403740036 /nfs/dbraw/zinc/74/00/36/403740036.db2.gz KXWFEBSKAPDKJN-INIZCTEOSA-N 1 0 324.421 2.002 20 10 DECDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296862097 404347214 /nfs/dbraw/zinc/34/72/14/404347214.db2.gz NPNRKHBEIBZPCC-LZLYRXPVSA-N 1 0 313.397 2.454 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2cccnc2OC)cc1OC ZINC000290779507 404308805 /nfs/dbraw/zinc/30/88/05/404308805.db2.gz CUILGFIAVBZOPA-UHFFFAOYSA-N 1 0 318.373 2.145 20 10 DECDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000367472929 405061476 /nfs/dbraw/zinc/06/14/76/405061476.db2.gz YYYIBIMDOOFSFX-LBPRGKRZSA-N 1 0 315.373 2.234 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418098944 229219353 /nfs/dbraw/zinc/21/93/53/229219353.db2.gz MLDQNGLKHPAXPK-AWEZNQCLSA-N 1 0 314.433 2.286 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000834862723 649855618 /nfs/dbraw/zinc/85/56/18/649855618.db2.gz XMNHXDSTOVEVNU-HUUCEWRRSA-N 1 0 312.417 2.346 20 10 DECDRO CN1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2C1 ZINC000662719240 425721279 /nfs/dbraw/zinc/72/12/79/425721279.db2.gz DBRIUSQNBCIOBA-UHFFFAOYSA-N 1 0 321.424 2.425 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445823 274114795 /nfs/dbraw/zinc/11/47/95/274114795.db2.gz CBIKLKBQWDYZKP-IBGZPJMESA-N 1 0 324.380 2.497 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001348837801 1151201439 /nfs/dbraw/zinc/20/14/39/1151201439.db2.gz NGJZCSRPRUXKQD-BHYGNILZSA-N 1 0 301.434 2.099 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCC(=O)NC(C)C)c1O ZINC000228670860 533952628 /nfs/dbraw/zinc/95/26/28/533952628.db2.gz RLOHLBLYPOQXCT-UHFFFAOYSA-N 1 0 300.786 2.059 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)C[S@@](C)=O)CC2)cc1 ZINC000364947467 533999467 /nfs/dbraw/zinc/99/94/67/533999467.db2.gz IHDAYTSEKYLMOV-LRTDBIEQSA-N 1 0 310.463 2.021 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373642287 534201573 /nfs/dbraw/zinc/20/15/73/534201573.db2.gz ULWBCQWTIIGDPK-SUMWQHHRSA-N 1 0 307.390 2.171 20 10 DECDRO CC(C)C(=O)NCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835030236 649869091 /nfs/dbraw/zinc/86/90/91/649869091.db2.gz VWPSRSABPHCLOS-SREVYHEPSA-N 1 0 303.450 2.470 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCC(=O)NC2CC2)cc1 ZINC000835036495 649869888 /nfs/dbraw/zinc/86/98/88/649869888.db2.gz QKNWBFAEBBCCHD-HWKANZROSA-N 1 0 301.434 2.414 20 10 DECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(OC)ccc2O)C1(C)C ZINC000188900402 520587287 /nfs/dbraw/zinc/58/72/87/520587287.db2.gz GJPIPJBRGUDMFK-DOTOQJQBSA-N 1 0 309.406 2.057 20 10 DECDRO CCC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC1CC1 ZINC000267937555 521548805 /nfs/dbraw/zinc/54/88/05/521548805.db2.gz ARSSLHOLCQYYIH-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181163251 522096918 /nfs/dbraw/zinc/09/69/18/522096918.db2.gz DFBRTRNKGAPJLG-QPJKDDTCSA-N 1 0 304.390 2.100 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265879564 522212516 /nfs/dbraw/zinc/21/25/16/522212516.db2.gz OEHDBGXDVINKJZ-ZBFHGGJFSA-N 1 0 310.463 2.198 20 10 DECDRO C[N@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000180756615 522844606 /nfs/dbraw/zinc/84/46/06/522844606.db2.gz SYYXLIYUMDHFQC-VQHVLOKHSA-N 1 0 304.390 2.102 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000263671275 524471114 /nfs/dbraw/zinc/47/11/14/524471114.db2.gz CASNPKFZHXMOFH-AWEZNQCLSA-N 1 0 318.465 2.208 20 10 DECDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(N)cc1 ZINC000237519717 524632890 /nfs/dbraw/zinc/63/28/90/524632890.db2.gz RDGJDRHXRBFHCL-ZNMIVQPWSA-N 1 0 303.450 2.294 20 10 DECDRO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCCCCC1 ZINC000156603847 526056189 /nfs/dbraw/zinc/05/61/89/526056189.db2.gz CGCNCZWJDCNTKY-CYBMUJFWSA-N 1 0 306.406 2.021 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(O)c1O ZINC000182596378 526181186 /nfs/dbraw/zinc/18/11/86/526181186.db2.gz XZDGOTHBUZPAPY-CYBMUJFWSA-N 1 0 306.406 2.114 20 10 DECDRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000131083029 526244741 /nfs/dbraw/zinc/24/47/41/526244741.db2.gz UWNFFKVIKLZOIE-HNNXBMFYSA-N 1 0 312.417 2.443 20 10 DECDRO C[C@H]1CN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835039254 649870392 /nfs/dbraw/zinc/87/03/92/649870392.db2.gz YXVORAXKIFWMBC-AWFCHZOYSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000835047377 649871358 /nfs/dbraw/zinc/87/13/58/649871358.db2.gz RIHKNKGVWXAQIR-ONEGZZNKSA-N 1 0 310.401 2.320 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCSCC2)cc1 ZINC000835041924 649870954 /nfs/dbraw/zinc/87/09/54/649870954.db2.gz BSGDLFYZMDJMKV-ARJAWSKDSA-N 1 0 305.491 2.404 20 10 DECDRO COC(=O)C[C@]1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835046606 649871145 /nfs/dbraw/zinc/87/11/45/649871145.db2.gz LGQBHARIWGGXRZ-PYTPGESOSA-N 1 0 318.417 2.078 20 10 DECDRO COCCN(C/C=C\c1ccc(N(C)C)cc1)CC[NH+](C)C ZINC000835054134 649872198 /nfs/dbraw/zinc/87/21/98/649872198.db2.gz RFOZBQQUUGEVPT-SREVYHEPSA-N 1 0 305.466 2.276 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236682993 625326792 /nfs/dbraw/zinc/32/67/92/625326792.db2.gz KMGBZWVOBOPIKZ-OALUTQOASA-N 1 0 315.461 2.240 20 10 DECDRO CCC[NH2+]C1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001026522123 625497187 /nfs/dbraw/zinc/49/71/87/625497187.db2.gz PQZIDFAXNJOOSJ-UHFFFAOYSA-N 1 0 321.421 2.139 20 10 DECDRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123647777 625585324 /nfs/dbraw/zinc/58/53/24/625585324.db2.gz RWGLRUAQDZOSJU-GJZGRUSLSA-N 1 0 319.449 2.089 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC000969617275 622850274 /nfs/dbraw/zinc/85/02/74/622850274.db2.gz YTHIHVPSFGRYNM-MAZHCROVSA-N 1 0 302.418 2.350 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891250505 623795330 /nfs/dbraw/zinc/79/53/30/623795330.db2.gz APGYUMDZBABRQE-GOEBONIOSA-N 1 0 321.490 2.225 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000891253489 623799508 /nfs/dbraw/zinc/79/95/08/623799508.db2.gz SRLTYINMCZZXII-FUHWJXTLSA-N 1 0 319.449 2.041 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000891253492 623799676 /nfs/dbraw/zinc/79/96/76/623799676.db2.gz SRLTYINMCZZXII-WMZOPIPTSA-N 1 0 319.449 2.041 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1O ZINC000157915189 624204261 /nfs/dbraw/zinc/20/42/61/624204261.db2.gz GVQYYBHMBDPYGT-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891563393 624479940 /nfs/dbraw/zinc/47/99/40/624479940.db2.gz FKMLVZWDPQYGAI-WMZOPIPTSA-N 1 0 316.449 2.145 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000891575086 624483175 /nfs/dbraw/zinc/48/31/75/624483175.db2.gz AFENAQIGTITHRP-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000892039344 624756070 /nfs/dbraw/zinc/75/60/70/624756070.db2.gz SAIALVZSSQFRNG-SFHVURJKSA-N 1 0 318.465 2.218 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C[C@@H]1C ZINC000947497062 624863608 /nfs/dbraw/zinc/86/36/08/624863608.db2.gz GNEVAPLEYOKTKJ-JSGCOSHPSA-N 1 0 321.421 2.092 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H](C)O[C@@H](C(=O)OC)C2)cc1 ZINC000092014124 624869615 /nfs/dbraw/zinc/86/96/15/624869615.db2.gz XPFDQPPSKKHUDM-RHSMWYFYSA-N 1 0 320.433 2.295 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000934406185 624874449 /nfs/dbraw/zinc/87/44/49/624874449.db2.gz POHDUGOKYXLPCI-HNNXBMFYSA-N 1 0 323.364 2.162 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000934406186 624874482 /nfs/dbraw/zinc/87/44/82/624874482.db2.gz POHDUGOKYXLPCI-OAHLLOKOSA-N 1 0 323.364 2.162 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c(O)c1OC ZINC000892590938 625176994 /nfs/dbraw/zinc/17/69/94/625176994.db2.gz ZFTHCOUMLVBCNO-UONOGXRCSA-N 1 0 306.406 2.126 20 10 DECDRO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000182357037 625255092 /nfs/dbraw/zinc/25/50/92/625255092.db2.gz APFWLKPRQZFRSU-SNVBAGLBSA-N 1 0 303.362 2.310 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000836249534 650071204 /nfs/dbraw/zinc/07/12/04/650071204.db2.gz LKMGAYQRZLRMTO-QGZVFWFLSA-N 1 0 318.465 2.377 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000734687510 633415017 /nfs/dbraw/zinc/41/50/17/633415017.db2.gz FINHAVDQBVIEQZ-UHFFFAOYSA-N 1 0 318.465 2.297 20 10 DECDRO CCC[N@H+](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000735520344 633516776 /nfs/dbraw/zinc/51/67/76/633516776.db2.gz YLMRGIDYZZUWQR-INIZCTEOSA-N 1 0 320.433 2.242 20 10 DECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000894044323 636098196 /nfs/dbraw/zinc/09/81/96/636098196.db2.gz AIJSDDNQZSNIIB-DZGCQCFKSA-N 1 0 310.463 2.185 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000893536836 634216048 /nfs/dbraw/zinc/21/60/48/634216048.db2.gz MBPQHRAGERNYTK-ZYHUDNBSSA-N 1 0 323.824 2.470 20 10 DECDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c(O)c1OC ZINC000893538262 634221953 /nfs/dbraw/zinc/22/19/53/634221953.db2.gz XGGLHOUXDQKZHO-IAGOWNOFSA-N 1 0 307.390 2.457 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(Cl)c1 ZINC000840941467 634971970 /nfs/dbraw/zinc/97/19/70/634971970.db2.gz AXSAVITXRYPEPJ-RWSFTLGLSA-N 1 0 308.809 2.440 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(O)c1OC ZINC000893616983 635130051 /nfs/dbraw/zinc/13/00/51/635130051.db2.gz NOLKXKLNPPPDOV-DZGCQCFKSA-N 1 0 307.390 2.457 20 10 DECDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921769195 635170531 /nfs/dbraw/zinc/17/05/31/635170531.db2.gz BGOCHOJHUWKLHY-JKSUJKDBSA-N 1 0 323.458 2.457 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000837380534 650192422 /nfs/dbraw/zinc/19/24/22/650192422.db2.gz QQVDGBKLJRZZIM-INIZCTEOSA-N 1 0 318.465 2.284 20 10 DECDRO COc1ccc(C[NH2+][C@H](CCO)c2ccco2)c(O)c1OC ZINC000893645190 635669546 /nfs/dbraw/zinc/66/95/46/635669546.db2.gz IATCBZFSOCCRMN-GFCCVEGCSA-N 1 0 307.346 2.216 20 10 DECDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CN1CC1CC1 ZINC000922338642 636105505 /nfs/dbraw/zinc/10/55/05/636105505.db2.gz LTUFLGJOXOFXEO-MRXNPFEDSA-N 1 0 300.402 2.112 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000922523885 636217406 /nfs/dbraw/zinc/21/74/06/636217406.db2.gz GJZJXQUHMFOYGJ-SJORKVTESA-N 1 0 305.491 2.422 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1 ZINC000922612106 636281509 /nfs/dbraw/zinc/28/15/09/636281509.db2.gz VTVBVKUSNUMIPO-QGZVFWFLSA-N 1 0 309.406 2.465 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)cc1Cn1cccn1 ZINC000922637728 636289278 /nfs/dbraw/zinc/28/92/78/636289278.db2.gz BHPZVLUSTMPIQP-XJKSGUPXSA-N 1 0 301.390 2.065 20 10 DECDRO COc1ccc(C[NH2+][C@H]2COC[C@@H]2C)cc1Cn1cccn1 ZINC000922637722 636289424 /nfs/dbraw/zinc/28/94/24/636289424.db2.gz BHPZVLUSTMPIQP-BBRMVZONSA-N 1 0 301.390 2.065 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1F ZINC000922743442 636372895 /nfs/dbraw/zinc/37/28/95/636372895.db2.gz PXRWUALFFJZONC-UHFFFAOYSA-N 1 0 316.442 2.052 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000178855521 636401133 /nfs/dbraw/zinc/40/11/33/636401133.db2.gz HKYQTPNRYDQJES-UHFFFAOYSA-N 1 0 318.417 2.200 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000922861976 636449778 /nfs/dbraw/zinc/44/97/78/636449778.db2.gz ZTKZPWPAHMYMPT-NSHDSACASA-N 1 0 324.377 2.041 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000186759189 636558148 /nfs/dbraw/zinc/55/81/48/636558148.db2.gz HEPRNEOXRSFNEE-CQSZACIVSA-N 1 0 318.348 2.270 20 10 DECDRO COc1ccc(N2CC[C@@H](Nc3cc(N(C)C)ncn3)C2)cc1 ZINC000894484397 637065758 /nfs/dbraw/zinc/06/57/58/637065758.db2.gz GNRYRCKSQAXRIG-CYBMUJFWSA-N 1 0 313.405 2.242 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000894614045 637131604 /nfs/dbraw/zinc/13/16/04/637131604.db2.gz KQYQVUNXNIEKSD-CQSZACIVSA-N 1 0 306.406 2.057 20 10 DECDRO OC[C@@]1([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)CCCO1 ZINC000894648266 637148709 /nfs/dbraw/zinc/14/87/09/637148709.db2.gz HOJBBECDBGBFIJ-RTBURBONSA-N 1 0 317.429 2.421 20 10 DECDRO COCC[NH2+]C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000923389009 637156242 /nfs/dbraw/zinc/15/62/42/637156242.db2.gz RLEJPADQFKJUTR-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO COc1c(O)c(CN2CC(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000894891860 637298410 /nfs/dbraw/zinc/29/84/10/637298410.db2.gz QJZPLRYCGTXMAM-UHFFFAOYSA-N 1 0 306.240 2.303 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1O ZINC000894998493 637370699 /nfs/dbraw/zinc/37/06/99/637370699.db2.gz DBBAPHHHFQETPJ-RISCZKNCSA-N 1 0 301.333 2.348 20 10 DECDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1(F)F ZINC000895140297 637655446 /nfs/dbraw/zinc/65/54/46/637655446.db2.gz PNYZAVBJEAJARG-GXSJLCMTSA-N 1 0 305.708 2.190 20 10 DECDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000839195302 637822278 /nfs/dbraw/zinc/82/22/78/637822278.db2.gz GKPLGJYUHGAPHS-INIZCTEOSA-N 1 0 301.434 2.293 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000840913662 650378120 /nfs/dbraw/zinc/37/81/20/650378120.db2.gz ZRRAJSJLAOIRKA-IAGOWNOFSA-N 1 0 301.434 2.304 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000840914188 650379509 /nfs/dbraw/zinc/37/95/09/650379509.db2.gz RBACWRPWZXIHNI-RBUKOAKNSA-N 1 0 317.477 2.092 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840931960 650387533 /nfs/dbraw/zinc/38/75/33/650387533.db2.gz ASPOVIKYDSMHQK-HNNXBMFYSA-N 1 0 305.422 2.381 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000840935768 650388828 /nfs/dbraw/zinc/38/88/28/650388828.db2.gz CTTLFPYWLISKCW-CQSZACIVSA-N 1 0 315.417 2.449 20 10 DECDRO NC(=O)COc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000742383364 638065701 /nfs/dbraw/zinc/06/57/01/638065701.db2.gz ITMGACXLHRGORG-UHFFFAOYSA-N 1 0 320.776 2.200 20 10 DECDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000742724938 638090864 /nfs/dbraw/zinc/09/08/64/638090864.db2.gz XLQNSEXUKAKTMZ-OAHLLOKOSA-N 1 0 312.417 2.034 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1OC ZINC000840963356 650395842 /nfs/dbraw/zinc/39/58/42/650395842.db2.gz RDAWTJRDOUQQGM-DOTOQJQBSA-N 1 0 323.433 2.109 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC000895722623 638166496 /nfs/dbraw/zinc/16/64/96/638166496.db2.gz YAWOLOLSNWRHMH-HNNXBMFYSA-N 1 0 321.417 2.154 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000840974394 650397916 /nfs/dbraw/zinc/39/79/16/650397916.db2.gz IPKUKCLSQMOLNB-FNORWQNLSA-N 1 0 310.463 2.180 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)C(=O)NC(C)C)ccc1OC ZINC000840974730 650398001 /nfs/dbraw/zinc/39/80/01/650398001.db2.gz NQSYLHFOWVFEAH-ZDUSSCGKSA-N 1 0 308.422 2.234 20 10 DECDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840978593 650398658 /nfs/dbraw/zinc/39/86/58/650398658.db2.gz ONUFSIWPYKASNB-GOEBONIOSA-N 1 0 322.424 2.255 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC000840977206 650398699 /nfs/dbraw/zinc/39/86/99/650398699.db2.gz IUFPSUGPPLIGSM-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814657 638211783 /nfs/dbraw/zinc/21/17/83/638211783.db2.gz SSSYRSRSUVUYLA-CZUORRHYSA-N 1 0 301.434 2.134 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895845813 638220521 /nfs/dbraw/zinc/22/05/21/638220521.db2.gz PBCZTKDNKLZWMK-ZDUSSCGKSA-N 1 0 305.296 2.148 20 10 DECDRO C/C=C\CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896018499 638312874 /nfs/dbraw/zinc/31/28/74/638312874.db2.gz OOFSPBAFIGNRRD-WLMCBFPDSA-N 1 0 304.438 2.231 20 10 DECDRO COC(=O)C1CCC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841042753 650412827 /nfs/dbraw/zinc/41/28/27/650412827.db2.gz NGEVKTZSONMZTC-DQPZFDDXSA-N 1 0 319.449 2.074 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CNCC[C@H]3C)CC2)cc1 ZINC000841057652 650417048 /nfs/dbraw/zinc/41/70/48/650417048.db2.gz BUPKPDWWPBHULE-RDTXWAMCSA-N 1 0 303.450 2.252 20 10 DECDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000747100791 638407547 /nfs/dbraw/zinc/40/75/47/638407547.db2.gz UWTPGIBDUVOBFS-OAHLLOKOSA-N 1 0 315.369 2.468 20 10 DECDRO CN1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1=O ZINC000896308412 638460442 /nfs/dbraw/zinc/46/04/42/638460442.db2.gz JECBNEQJIGUGNW-VIFPVBQESA-N 1 0 300.761 2.143 20 10 DECDRO O=C(NCCCSc1nccs1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896332910 638468874 /nfs/dbraw/zinc/46/88/74/638468874.db2.gz ADQQRZHVYSPIIZ-AWEZNQCLSA-N 1 0 311.476 2.227 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896395754 638500838 /nfs/dbraw/zinc/50/08/38/638500838.db2.gz KVDLOGRWMJHENY-GUYCJALGSA-N 1 0 320.389 2.111 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)c(O)c1 ZINC000896472278 638532193 /nfs/dbraw/zinc/53/21/93/638532193.db2.gz MFTOCDIGNXPKAQ-TZMCWYRMSA-N 1 0 307.390 2.422 20 10 DECDRO O=C1OCCN1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000749299745 638633446 /nfs/dbraw/zinc/63/34/46/638633446.db2.gz ZGTNCUOBBCFSGD-UHFFFAOYSA-N 1 0 316.357 2.440 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000897176059 639225038 /nfs/dbraw/zinc/22/50/38/639225038.db2.gz MTXQWHZVFOUOMW-HNNXBMFYSA-N 1 0 321.417 2.154 20 10 DECDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C[NH+]1CCCC1 ZINC000841467195 650500366 /nfs/dbraw/zinc/50/03/66/650500366.db2.gz LMALEMYCAYKXJI-VQHVLOKHSA-N 1 0 318.417 2.444 20 10 DECDRO CC(C)[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000755995794 639612780 /nfs/dbraw/zinc/61/27/80/639612780.db2.gz NLZKDWBFZFMEER-INIZCTEOSA-N 1 0 303.450 2.347 20 10 DECDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000728914898 639636021 /nfs/dbraw/zinc/63/60/21/639636021.db2.gz YYKGDOAZJPSUNM-CALCHBBNSA-N 1 0 323.440 2.428 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2O ZINC000756342751 639652006 /nfs/dbraw/zinc/65/20/06/639652006.db2.gz LAQGKNXLYRRXMX-TZMCWYRMSA-N 1 0 308.397 2.392 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756761939 639693006 /nfs/dbraw/zinc/69/30/06/639693006.db2.gz VJYDLHHCCKERIW-GVXVVHGQSA-N 1 0 321.396 2.473 20 10 DECDRO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)S(C)(=O)=O ZINC000756770721 639693733 /nfs/dbraw/zinc/69/37/33/639693733.db2.gz ZVDSHJPITHRPIZ-NEPJUHHUSA-N 1 0 311.447 2.355 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1 ZINC000839642569 639788305 /nfs/dbraw/zinc/78/83/05/639788305.db2.gz ONAJKXWVAFWVDO-HXUWFJFHSA-N 1 0 323.440 2.382 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCOCC2)c2c1c(F)ccc2O ZINC000757658667 639866124 /nfs/dbraw/zinc/86/61/24/639866124.db2.gz JARLNNYPXDRLBA-LERXQTSPSA-N 1 0 309.381 2.457 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000758501373 639966304 /nfs/dbraw/zinc/96/63/04/639966304.db2.gz DJUPTTQULKKAQO-UHFFFAOYSA-N 1 0 306.454 2.154 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(OC)c1O ZINC000758848864 640001148 /nfs/dbraw/zinc/00/11/48/640001148.db2.gz PSKVIELPWYWEOV-CQSZACIVSA-N 1 0 321.421 2.074 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000841718946 650551350 /nfs/dbraw/zinc/55/13/50/650551350.db2.gz YQYWHFVKHWDUPM-PBHICJAKSA-N 1 0 318.465 2.330 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000841719121 650551395 /nfs/dbraw/zinc/55/13/95/650551395.db2.gz YVZSJJQBABEXKC-HOTGVXAUSA-N 1 0 318.465 2.459 20 10 DECDRO CC[NH2+]CCCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841719334 650551477 /nfs/dbraw/zinc/55/14/77/650551477.db2.gz JHHLCWUEJOTLTE-UHFFFAOYSA-N 1 0 306.454 2.332 20 10 DECDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709985 650546893 /nfs/dbraw/zinc/54/68/93/650546893.db2.gz QVQYAFUYFSGLKQ-JKSUJKDBSA-N 1 0 316.449 2.213 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841710175 650546901 /nfs/dbraw/zinc/54/69/01/650546901.db2.gz UHJKVXXDCLIZRZ-INIZCTEOSA-N 1 0 316.449 2.180 20 10 DECDRO CC[NH2+]CCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709820 650546923 /nfs/dbraw/zinc/54/69/23/650546923.db2.gz MYRLCSHIRSYUIT-UHFFFAOYSA-N 1 0 304.438 2.086 20 10 DECDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759295 650558336 /nfs/dbraw/zinc/55/83/36/650558336.db2.gz MKSORPPZSYBQHW-CQSZACIVSA-N 1 0 318.465 2.386 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CC(F)F)CC2)cc1 ZINC000760038924 640152824 /nfs/dbraw/zinc/15/28/24/640152824.db2.gz NOUCKDPLIYFEDI-CYBMUJFWSA-N 1 0 314.376 2.270 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1F ZINC000841761312 650558556 /nfs/dbraw/zinc/55/85/56/650558556.db2.gz OSYCMHLUKVKSKP-HNNXBMFYSA-N 1 0 322.428 2.208 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1F ZINC000841760904 650558590 /nfs/dbraw/zinc/55/85/90/650558590.db2.gz MQXZCALIHMYXCR-UHFFFAOYSA-N 1 0 310.417 2.018 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000841824394 650570982 /nfs/dbraw/zinc/57/09/82/650570982.db2.gz NSPUMOKUYWLAAH-MRXNPFEDSA-N 1 0 318.465 2.392 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841825182 650571736 /nfs/dbraw/zinc/57/17/36/650571736.db2.gz YHMRPNJOHAKPIR-GOSISDBHSA-N 1 0 318.465 2.250 20 10 DECDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000897474184 640453345 /nfs/dbraw/zinc/45/33/45/640453345.db2.gz NDVORKRKPCJFFP-HNNXBMFYSA-N 1 0 318.465 2.378 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763467777 640545698 /nfs/dbraw/zinc/54/56/98/640545698.db2.gz SMXDYUSKSXYOEW-MRXNPFEDSA-N 1 0 309.406 2.058 20 10 DECDRO C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841883220 650593555 /nfs/dbraw/zinc/59/35/55/650593555.db2.gz SGOGMYZASJFODE-KGLIPLIRSA-N 1 0 304.438 2.112 20 10 DECDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882029 650592287 /nfs/dbraw/zinc/59/22/87/650592287.db2.gz GSMQOEGCXQWUMM-BBRMVZONSA-N 1 0 304.438 2.207 20 10 DECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841910345 650599895 /nfs/dbraw/zinc/59/98/95/650599895.db2.gz FZLQHISSSAYKEE-AWEZNQCLSA-N 1 0 306.454 2.231 20 10 DECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841904821 650598532 /nfs/dbraw/zinc/59/85/32/650598532.db2.gz ZJPGXGCUIASZRT-AWEZNQCLSA-N 1 0 306.454 2.231 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN(C)C3)CC2)cc1 ZINC000765281704 640760553 /nfs/dbraw/zinc/76/05/53/640760553.db2.gz RKCWUZNSXPMEFS-INIZCTEOSA-N 1 0 303.450 2.348 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841937005 650606388 /nfs/dbraw/zinc/60/63/88/650606388.db2.gz ZIXWCRSWLYXYNK-CQSZACIVSA-N 1 0 305.422 2.313 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-n2cnnn2)c1 ZINC000765608826 640799655 /nfs/dbraw/zinc/79/96/55/640799655.db2.gz LRTYCGNPWGCWPI-ZDUSSCGKSA-N 1 0 321.384 2.448 20 10 DECDRO COC(=O)COc1ccc(N(C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841020325 640822474 /nfs/dbraw/zinc/82/24/74/640822474.db2.gz KDMVSZXCFWACTN-UONOGXRCSA-N 1 0 306.406 2.063 20 10 DECDRO C[C@H](CC[NH3+])NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841967576 650615354 /nfs/dbraw/zinc/61/53/54/650615354.db2.gz OSHLKYDAQFVHTR-SSDOTTSWSA-N 1 0 306.193 2.236 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841979532 650619016 /nfs/dbraw/zinc/61/90/16/650619016.db2.gz UNNQIXMWWPPAKC-OAHLLOKOSA-N 1 0 304.438 2.036 20 10 DECDRO Oc1cccc(Br)c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897808688 640939988 /nfs/dbraw/zinc/93/99/88/640939988.db2.gz DUNCBSRRCSMZLT-WVHQUNFXSA-N 1 0 310.191 2.420 20 10 DECDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 ZINC000897826213 640947225 /nfs/dbraw/zinc/94/72/25/640947225.db2.gz VONHAOMUETVSRF-KOLCDFICSA-N 1 0 318.398 2.089 20 10 DECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961975 650614244 /nfs/dbraw/zinc/61/42/44/650614244.db2.gz JAHJEXQVYHQSEA-YOEHRIQHSA-N 1 0 316.449 2.080 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C)ccc1O ZINC000897985842 640995845 /nfs/dbraw/zinc/99/58/45/640995845.db2.gz SAISWDRAJCGTIC-ZDUSSCGKSA-N 1 0 315.373 2.308 20 10 DECDRO Cn1cc([C@]2(C[NH2+]Cc3ccc4c(c3)CCO4)CCCO2)cn1 ZINC000898057705 641012591 /nfs/dbraw/zinc/01/25/91/641012591.db2.gz HYKMYFAZAQFVNB-GOSISDBHSA-N 1 0 313.401 2.151 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1OC ZINC000768462734 641084361 /nfs/dbraw/zinc/08/43/61/641084361.db2.gz COOASPPSBSNGGX-GXTWGEPZSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c(O)cc1C ZINC000768907786 641143251 /nfs/dbraw/zinc/14/32/51/641143251.db2.gz QQMPFEUNHLKDHK-UHFFFAOYSA-N 1 0 321.417 2.481 20 10 DECDRO Oc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000769191625 641192317 /nfs/dbraw/zinc/19/23/17/641192317.db2.gz FNPQNZJEQHEMMB-UHFFFAOYSA-N 1 0 313.353 2.427 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c1O ZINC000769239637 641201380 /nfs/dbraw/zinc/20/13/80/641201380.db2.gz QJMHRHWDMOIAOZ-CYBMUJFWSA-N 1 0 303.362 2.472 20 10 DECDRO C[C@H]1COCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769458234 641242032 /nfs/dbraw/zinc/24/20/32/641242032.db2.gz ZDZNCMUAUIUMCD-CQSZACIVSA-N 1 0 308.397 2.131 20 10 DECDRO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000926978912 641551430 /nfs/dbraw/zinc/55/14/30/641551430.db2.gz JOAPXPZGNGOXBA-CHWSQXEVSA-N 1 0 302.418 2.448 20 10 DECDRO O[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000898393116 641642746 /nfs/dbraw/zinc/64/27/46/641642746.db2.gz NZXPKVZGIUIITG-PMACEKPBSA-N 1 0 324.424 2.271 20 10 DECDRO Cc1c[nH]c(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000898447394 641665093 /nfs/dbraw/zinc/66/50/93/641665093.db2.gz JBTIPQGOOBXPAD-MRXNPFEDSA-N 1 0 301.438 2.177 20 10 DECDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1=CC(=O)CS1 ZINC000772938091 641708726 /nfs/dbraw/zinc/70/87/26/641708726.db2.gz RLIPMRHPLFDVRL-UHFFFAOYSA-N 1 0 317.414 2.495 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC000773326648 641759123 /nfs/dbraw/zinc/75/91/23/641759123.db2.gz LJRSDHIUOUAWAW-UHFFFAOYSA-N 1 0 318.417 2.154 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000773804587 641825269 /nfs/dbraw/zinc/82/52/69/641825269.db2.gz RVWWFXFZCFSPCI-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000774135569 641867845 /nfs/dbraw/zinc/86/78/45/641867845.db2.gz RSRRMSCHLFITNJ-CQSZACIVSA-N 1 0 300.406 2.108 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NC/C=C\Cl)[NH+](C)C)cc1 ZINC000899029264 641904140 /nfs/dbraw/zinc/90/41/40/641904140.db2.gz JBPVZXARSUYFAT-ANOSYLROSA-N 1 0 324.856 2.407 20 10 DECDRO COc1c(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000775109609 642008019 /nfs/dbraw/zinc/00/80/19/642008019.db2.gz ZIWPLSCUFJODFX-COPLHBTASA-N 1 0 324.377 2.290 20 10 DECDRO Fc1cc(C[N@@H+]2CCC23CCOCC3)ccc1N1CCOCC1 ZINC000775159559 642012076 /nfs/dbraw/zinc/01/20/76/642012076.db2.gz RJEXRBSRJULUJX-UHFFFAOYSA-N 1 0 320.408 2.417 20 10 DECDRO C[C@@H]([NH2+]CCC1OCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775257033 642022276 /nfs/dbraw/zinc/02/22/76/642022276.db2.gz DNOJTAOYTYUMIN-OAHLLOKOSA-N 1 0 320.433 2.327 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](C)CN2CCCCC2)cc1OC ZINC000775972772 642117602 /nfs/dbraw/zinc/11/76/02/642117602.db2.gz PQNYGEVDYTUHBY-ZDUSSCGKSA-N 1 0 308.422 2.373 20 10 DECDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C ZINC000775984551 642119291 /nfs/dbraw/zinc/11/92/91/642119291.db2.gz GWFTXTUGSGBCQT-CVEARBPZSA-N 1 0 303.450 2.048 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(C)o2)cc1OC ZINC000776215759 642145393 /nfs/dbraw/zinc/14/53/93/642145393.db2.gz HRCPRWAGAYTLOG-ZDUSSCGKSA-N 1 0 307.346 2.134 20 10 DECDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776520623 642180362 /nfs/dbraw/zinc/18/03/62/642180362.db2.gz 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304.390 2.205 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000788377594 643602408 /nfs/dbraw/zinc/60/24/08/643602408.db2.gz MFADKWDGRSLQRR-AWEZNQCLSA-N 1 0 315.417 2.093 20 10 DECDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926679 650853557 /nfs/dbraw/zinc/85/35/57/650853557.db2.gz ARVPUWYKAXVBEA-IPYPFGDCSA-N 1 0 308.397 2.490 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2(O)CCCC2)cc1 ZINC000905052466 643772679 /nfs/dbraw/zinc/77/26/79/643772679.db2.gz QRGSLLSRUXOPNR-KRWDZBQOSA-N 1 0 306.450 2.288 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C2(O)CCCC2)cc1 ZINC000905052468 643772945 /nfs/dbraw/zinc/77/29/45/643772945.db2.gz QRGSLLSRUXOPNR-QGZVFWFLSA-N 1 0 306.450 2.288 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[C@H](O)c1ccccc1 ZINC000905085365 643779891 /nfs/dbraw/zinc/77/98/91/643779891.db2.gz AEAWVJMBESUAHI-MSOLQXFVSA-N 1 0 313.397 2.196 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC1(O)CCCCC1 ZINC000905089206 643781156 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Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000808717620 646131379 /nfs/dbraw/zinc/13/13/79/646131379.db2.gz KCAZPDDSOUASQT-NXEZZACHSA-N 1 0 302.777 2.479 20 10 DECDRO [NH3+]CCN(Cc1cc(F)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000809727874 646269397 /nfs/dbraw/zinc/26/93/97/646269397.db2.gz ALFCFDWTCVKZIM-UHFFFAOYSA-N 1 0 305.309 2.405 20 10 DECDRO COc1cccc(O)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734327 646270490 /nfs/dbraw/zinc/27/04/90/646270490.db2.gz AOBHPVWBZOZVCN-UHFFFAOYSA-N 1 0 317.345 2.274 20 10 DECDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000809740560 646272109 /nfs/dbraw/zinc/27/21/09/646272109.db2.gz DEOOPMWNFMVEAN-UHFFFAOYSA-N 1 0 315.417 2.360 20 10 DECDRO COc1cccc(O)c1C[N@H+](CCCO)Cc1ccccn1 ZINC000809745830 646274662 /nfs/dbraw/zinc/27/46/62/646274662.db2.gz GRJQHMFXUNPKRG-UHFFFAOYSA-N 1 0 302.374 2.180 20 10 DECDRO COc1cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c(O)cc1C ZINC000840188986 646294371 /nfs/dbraw/zinc/29/43/71/646294371.db2.gz NPIYKVOEWWQAEJ-CQSZACIVSA-N 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CC(C)c1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000832272239 649691016 /nfs/dbraw/zinc/69/10/16/649691016.db2.gz CUNYQWSWNVPAGC-AWEZNQCLSA-N 1 0 316.405 2.294 20 10 DECDRO CSCCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272626 649691316 /nfs/dbraw/zinc/69/13/16/649691316.db2.gz HUCNDNMPSVYRJG-HNNXBMFYSA-N 1 0 309.479 2.402 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2scnc2Cl)cc1 ZINC000832279621 649691909 /nfs/dbraw/zinc/69/19/09/649691909.db2.gz KVXPGQLRHNRVPI-NSHDSACASA-N 1 0 324.837 2.292 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSC(C)(C)C)cc1 ZINC000832292271 649693119 /nfs/dbraw/zinc/69/31/19/649693119.db2.gz DSTOCNAYHRFGEK-AWEZNQCLSA-N 1 0 309.479 2.400 20 10 DECDRO OC1(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC000846008448 651301138 /nfs/dbraw/zinc/30/11/38/651301138.db2.gz NWFPTYMYCBKVMF-UHFFFAOYSA-N 1 0 316.445 2.260 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H](C1CC1)C1CCOCC1)OCO2 ZINC000846043390 651303956 /nfs/dbraw/zinc/30/39/56/651303956.db2.gz YYJRQAADTWACSY-KRWDZBQOSA-N 1 0 305.374 2.416 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846071081 651306430 /nfs/dbraw/zinc/30/64/30/651306430.db2.gz BSKUSKYLCCDCJR-LLVKDONJSA-N 1 0 308.809 2.455 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)cc1 ZINC000846095390 651307424 /nfs/dbraw/zinc/30/74/24/651307424.db2.gz WPMRGXGALYCIFN-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)CCF)c1O ZINC000846099649 651307642 /nfs/dbraw/zinc/30/76/42/651307642.db2.gz HNRRFRCZZIYUIF-NSHDSACASA-N 1 0 306.175 2.273 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846108604 651308306 /nfs/dbraw/zinc/30/83/06/651308306.db2.gz QBAYZTGEGYERBW-AWEZNQCLSA-N 1 0 314.385 2.267 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1O ZINC000846136112 651310253 /nfs/dbraw/zinc/31/02/53/651310253.db2.gz GWOKLXXKLLPHBY-LSDHHAIUSA-N 1 0 322.449 2.408 20 10 DECDRO COC(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846147734 651311000 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000848226681 651445266 /nfs/dbraw/zinc/44/52/66/651445266.db2.gz URTVIWWLCWPDFQ-GOEBONIOSA-N 1 0 317.477 2.450 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563575 651471538 /nfs/dbraw/zinc/47/15/38/651471538.db2.gz VICTWZWMRRQGFV-OAGGEKHMSA-N 1 0 305.466 2.340 20 10 DECDRO Nc1ccc(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848603505 651477710 /nfs/dbraw/zinc/47/77/10/651477710.db2.gz PLLIHGOVQXJHHH-SJORKVTESA-N 1 0 316.449 2.127 20 10 DECDRO CCc1cccc(CN2CCC([N@H+](C)CCCO)CC2)c1O ZINC000848887178 651546712 /nfs/dbraw/zinc/54/67/12/651546712.db2.gz PNTSXAPWCKGHGJ-UHFFFAOYSA-N 1 0 306.450 2.233 20 10 DECDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000854738670 651548296 /nfs/dbraw/zinc/54/82/96/651548296.db2.gz NNZHSJGHWNFIFQ-MJICGBHWSA-N 1 0 316.401 2.055 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000848896648 651550285 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CN(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850397609 651920639 /nfs/dbraw/zinc/92/06/39/651920639.db2.gz YXKJTOSKOMWBCP-OAHLLOKOSA-N 1 0 303.450 2.489 20 10 DECDRO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850427330 651926676 /nfs/dbraw/zinc/92/66/76/651926676.db2.gz RVNWNPDCWLFWMJ-QGZVFWFLSA-N 1 0 312.417 2.344 20 10 DECDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000850483084 651937103 /nfs/dbraw/zinc/93/71/03/651937103.db2.gz WOZZTSYBELHYGR-WFASDCNBSA-N 1 0 305.397 2.355 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857302781 652100727 /nfs/dbraw/zinc/10/07/27/652100727.db2.gz ARARKTVORWKOPV-SNVBAGLBSA-N 1 0 310.369 2.087 20 10 DECDRO Nc1ccc(CC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000851646581 652197561 /nfs/dbraw/zinc/19/75/61/652197561.db2.gz YDOPHWKPKAUFBR-KRWDZBQOSA-N 1 0 311.385 2.111 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851654995 652199405 /nfs/dbraw/zinc/19/94/05/652199405.db2.gz MAPUXLZVJFXBBF-QGZVFWFLSA-N 1 0 318.465 2.459 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1COC(C)(C)O1 ZINC000851717556 652214537 /nfs/dbraw/zinc/21/45/37/652214537.db2.gz XQCMSTWBNUZYCH-KRWDZBQOSA-N 1 0 320.433 2.107 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCOC[C@H]2CCOC2)cc1F ZINC000858132977 652261651 /nfs/dbraw/zinc/26/16/51/652261651.db2.gz MVUSSTOBEWNSQW-LBPRGKRZSA-N 1 0 314.376 2.174 20 10 DECDRO OCC[C@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858145020 652264890 /nfs/dbraw/zinc/26/48/90/652264890.db2.gz XICNEZKGMJKUKR-LBPRGKRZSA-N 1 0 300.196 2.405 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000858277513 652295254 /nfs/dbraw/zinc/29/52/54/652295254.db2.gz HZSFUQUCDRKFAG-AWEZNQCLSA-N 1 0 305.422 2.232 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2COC(C)(C)O2)cc1 ZINC000852212176 652364693 /nfs/dbraw/zinc/36/46/93/652364693.db2.gz VXBKBZLHWLXSNU-INIZCTEOSA-N 1 0 308.422 2.215 20 10 DECDRO C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1ccc(N(C)C)cc1 ZINC000852261997 652374089 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CCN(CC)c1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1 ZINC000391399773 685445774 /nfs/dbraw/zinc/44/57/74/685445774.db2.gz PUOBPMHIPHEFHP-UHFFFAOYSA-N 1 0 312.479 2.446 20 10 DECDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000858597998 685566048 /nfs/dbraw/zinc/56/60/48/685566048.db2.gz AQWKQTBKLZTCLV-APWZRJJASA-N 1 0 317.477 2.394 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000858602447 685567122 /nfs/dbraw/zinc/56/71/22/685567122.db2.gz ZOJSEBCUZRAQCX-CQSZACIVSA-N 1 0 305.422 2.373 20 10 DECDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000092437832 684042359 /nfs/dbraw/zinc/04/23/59/684042359.db2.gz MUSJZYXRGYDJEC-UHFFFAOYSA-N 1 0 314.433 2.279 20 10 DECDRO C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000127251423 684161522 /nfs/dbraw/zinc/16/15/22/684161522.db2.gz VFACPZDVIVQPBJ-GDBMZVCRSA-N 1 0 303.450 2.395 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131666271 684201079 /nfs/dbraw/zinc/20/10/79/684201079.db2.gz WIYBRPSURUBAIZ-OAHLLOKOSA-N 1 0 318.417 2.424 20 10 DECDRO COc1ccc(N2CCC(NC(=O)CCCCC[NH3+])CC2)cc1 ZINC000155645036 684277577 /nfs/dbraw/zinc/27/75/77/684277577.db2.gz DVKREMJDBUERPI-UHFFFAOYSA-N 1 0 319.449 2.299 20 10 DECDRO C[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000187958547 684346747 /nfs/dbraw/zinc/34/67/47/684346747.db2.gz BECSOJFSYMANIT-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000245851415 685119292 /nfs/dbraw/zinc/11/92/92/685119292.db2.gz CWGCXEJXQUEGHD-LSDHHAIUSA-N 1 0 303.450 2.347 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000246415312 685130049 /nfs/dbraw/zinc/13/00/49/685130049.db2.gz MUBGOLDYXVCQRG-XGWLTEMNSA-N 1 0 308.397 2.226 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000246643882 685134002 /nfs/dbraw/zinc/13/40/02/685134002.db2.gz ARIKFJAUBIEQKA-FRRDWIJNSA-N 1 0 306.406 2.278 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC[C@H]1CCCO1 ZINC000247706213 685153103 /nfs/dbraw/zinc/15/31/03/685153103.db2.gz YXGUTPWVJSWCEU-IAGOWNOFSA-N 1 0 323.433 2.161 20 10 DECDRO COC(=O)CCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000859161539 685669592 /nfs/dbraw/zinc/66/95/92/685669592.db2.gz OUPWDLZQFHLXFT-UHFFFAOYSA-N 1 0 324.396 2.300 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861583238 686150461 /nfs/dbraw/zinc/15/04/61/686150461.db2.gz PUBHXUQWBUQJHA-ZFWWWQNUSA-N 1 0 304.438 2.001 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000861620827 686160266 /nfs/dbraw/zinc/16/02/66/686160266.db2.gz OFDBFJQQOIHROR-VNHYZAJKSA-N 1 0 304.438 2.253 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1F ZINC000862235754 686261661 /nfs/dbraw/zinc/26/16/61/686261661.db2.gz XLBWFCQCCNFLKP-GFCCVEGCSA-N 1 0 311.376 2.261 20 10 DECDRO C[C@H](O)C[N@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862406050 686294092 /nfs/dbraw/zinc/29/40/92/686294092.db2.gz LIKHPXULZNVUMD-VIFPVBQESA-N 1 0 300.196 2.500 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1F ZINC000862413546 686296423 /nfs/dbraw/zinc/29/64/23/686296423.db2.gz RAZMKODLFZOBBU-IAQYHMDHSA-N 1 0 323.387 2.131 20 10 DECDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000862418066 686296820 /nfs/dbraw/zinc/29/68/20/686296820.db2.gz KNUPVUKUMRQHOX-UHFFFAOYSA-N 1 0 301.390 2.234 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000863325032 686477888 /nfs/dbraw/zinc/47/78/88/686477888.db2.gz QPCJHXFYLXPDFI-CQSZACIVSA-N 1 0 320.433 2.074 20 10 DECDRO COC(=O)c1cncc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000930217303 694114117 /nfs/dbraw/zinc/11/41/17/694114117.db2.gz VSEUWYHXIVJMQZ-LLVKDONJSA-N 1 0 316.357 2.433 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000868209975 687948299 /nfs/dbraw/zinc/94/82/99/687948299.db2.gz IUNVFMBDNIXPAU-QEJZJMRPSA-N 1 0 303.406 2.379 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1O ZINC000868397338 688001300 /nfs/dbraw/zinc/00/13/00/688001300.db2.gz SBEPHIBJOJPEBP-JMSVASOKSA-N 1 0 303.406 2.235 20 10 DECDRO C[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1O ZINC000870988520 688704772 /nfs/dbraw/zinc/70/47/72/688704772.db2.gz RJZXXULQXPLMTJ-GXTWGEPZSA-N 1 0 314.389 2.004 20 10 DECDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1Cn1cccn1 ZINC000873051782 689149137 /nfs/dbraw/zinc/14/91/37/689149137.db2.gz OXZYUVMBPWAQJA-GOSISDBHSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1Cn1cccn1 ZINC000873059160 689150508 /nfs/dbraw/zinc/15/05/08/689150508.db2.gz XPKWWBIRXGZWAA-ZIAGYGMSSA-N 1 0 303.406 2.047 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1C ZINC000873059930 689151222 /nfs/dbraw/zinc/15/12/22/689151222.db2.gz BHLFOVFDUKWBFZ-MRXNPFEDSA-N 1 0 303.406 2.341 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)cc1Cn1cccn1 ZINC000873101183 689159260 /nfs/dbraw/zinc/15/92/60/689159260.db2.gz BDVSRHQBWMNPLI-UONOGXRCSA-N 1 0 303.406 2.189 20 10 DECDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000875706842 689679220 /nfs/dbraw/zinc/67/92/20/689679220.db2.gz LFSHNAUKNDWMQA-CVEARBPZSA-N 1 0 315.417 2.434 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876713920 689912041 /nfs/dbraw/zinc/91/20/41/689912041.db2.gz QKDREWJABRBOQX-NVXWUHKLSA-N 1 0 321.440 2.439 20 10 DECDRO CN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000876779011 689934989 /nfs/dbraw/zinc/93/49/89/689934989.db2.gz UOWHDYMSFUKQTK-LLPBQKLSSA-N 1 0 303.381 2.164 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876873690 689961054 /nfs/dbraw/zinc/96/10/54/689961054.db2.gz OCIKTGYFDODXMG-HOTGVXAUSA-N 1 0 303.450 2.475 20 10 DECDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876884802 689963822 /nfs/dbraw/zinc/96/38/22/689963822.db2.gz KKEJMPWMXHTMQH-JTWPGUMSSA-N 1 0 314.429 2.299 20 10 DECDRO COC(=O)c1[nH]c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1C ZINC000876905613 689969477 /nfs/dbraw/zinc/96/94/77/689969477.db2.gz JVZPJIMVDANBMW-UHFFFAOYSA-N 1 0 301.390 2.466 20 10 DECDRO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1ccccc1O ZINC000876995503 689993495 /nfs/dbraw/zinc/99/34/95/689993495.db2.gz DWVNGTXUSNONTR-UHFFFAOYSA-N 1 0 317.389 2.371 20 10 DECDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877058145 690009521 /nfs/dbraw/zinc/00/95/21/690009521.db2.gz DLFQSIZTSXNJOE-LSDHHAIUSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)n1-c1ccccn1 ZINC000877375750 690092797 /nfs/dbraw/zinc/09/27/97/690092797.db2.gz ZKIXEXXWVXHEBQ-HNAYVOBHSA-N 1 0 324.428 2.171 20 10 DECDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)cc1O ZINC000877423673 690108207 /nfs/dbraw/zinc/10/82/07/690108207.db2.gz IZGZPBMSUSBYII-LSDHHAIUSA-N 1 0 307.390 2.243 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000877505815 690133941 /nfs/dbraw/zinc/13/39/41/690133941.db2.gz ZOLDGGWBVGWIHY-YOEHRIQHSA-N 1 0 305.418 2.358 20 10 DECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877563069 690152982 /nfs/dbraw/zinc/15/29/82/690152982.db2.gz GCVROHSPZHLTMB-CQSZACIVSA-N 1 0 306.450 2.287 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000877569966 690155225 /nfs/dbraw/zinc/15/52/25/690155225.db2.gz BPYQDXLVAAJTTI-WMLDXEAASA-N 1 0 301.390 2.444 20 10 DECDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877592822 690161308 /nfs/dbraw/zinc/16/13/08/690161308.db2.gz UNWGQLLJWAHFOO-WBVHZDCISA-N 1 0 318.461 2.241 20 10 DECDRO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877591365 690161486 /nfs/dbraw/zinc/16/14/86/690161486.db2.gz CPRYEJGTVNPMGO-DLBZAZTESA-N 1 0 318.461 2.288 20 10 DECDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877607495 690165883 /nfs/dbraw/zinc/16/58/83/690165883.db2.gz GPYMNANJXMZWPP-CQSZACIVSA-N 1 0 316.323 2.201 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000877616610 690168242 /nfs/dbraw/zinc/16/82/42/690168242.db2.gz KWGMAJYIPUIZTN-MRXNPFEDSA-N 1 0 302.418 2.437 20 10 DECDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877651083 690179608 /nfs/dbraw/zinc/17/96/08/690179608.db2.gz GEKGMUMMXIYONO-HNAYVOBHSA-N 1 0 316.445 2.305 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1Cl ZINC000877666067 690183784 /nfs/dbraw/zinc/18/37/84/690183784.db2.gz UQAPJRQGAFJXDB-ZDUSSCGKSA-N 1 0 312.841 2.289 20 10 DECDRO COc1ccc(N2CC[NH+](CCC[C@@H]3CCO3)CC2)c(OC)c1 ZINC000877708434 690199499 /nfs/dbraw/zinc/19/94/99/690199499.db2.gz LUWLUMGKSDSTCG-OAHLLOKOSA-N 1 0 320.433 2.395 20 10 DECDRO Cc1cc(O)c(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1C ZINC000877777373 690224695 /nfs/dbraw/zinc/22/46/95/690224695.db2.gz XTHJVKOQNZNURX-UHFFFAOYSA-N 1 0 316.323 2.119 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880234664 690846339 /nfs/dbraw/zinc/84/63/39/690846339.db2.gz KOQSISOVNQAZLQ-MRXNPFEDSA-N 1 0 321.440 2.393 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CC1 ZINC000881853501 691173676 /nfs/dbraw/zinc/17/36/76/691173676.db2.gz YNBWWXXLGNLPAR-MSOLQXFVSA-N 1 0 313.445 2.101 20 10 DECDRO Cc1cnccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852440 691173896 /nfs/dbraw/zinc/17/38/96/691173896.db2.gz PZNRHXXHPRPKAA-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC3(C)C)cc2)CC1 ZINC000881855411 691174652 /nfs/dbraw/zinc/17/46/52/691174652.db2.gz VNUXECTZPCMIIY-KRWDZBQOSA-N 1 0 315.461 2.491 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1F ZINC000883269429 691469035 /nfs/dbraw/zinc/46/90/35/691469035.db2.gz JTEISZADDXKTLZ-HNNXBMFYSA-N 1 0 306.381 2.426 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1C ZINC000883380376 691494185 /nfs/dbraw/zinc/49/41/85/691494185.db2.gz KOKFJPRBIWMSQI-SHTZXODSSA-N 1 0 311.447 2.449 20 10 DECDRO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886501239 692094323 /nfs/dbraw/zinc/09/43/23/692094323.db2.gz BVONYSZFKXOYDD-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000886636938 692143039 /nfs/dbraw/zinc/14/30/39/692143039.db2.gz YMLFLZMEXHVBNA-ILXRZTDVSA-N 1 0 318.417 2.205 20 10 DECDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(N)=O ZINC000887059253 692263875 /nfs/dbraw/zinc/26/38/75/692263875.db2.gz MSVFNTLFMSZCCC-SDBXPKJASA-N 1 0 312.797 2.238 20 10 DECDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000925479446 693279294 /nfs/dbraw/zinc/27/92/94/693279294.db2.gz ZRKWJQQJARMANA-PBHICJAKSA-N 1 0 305.491 2.470 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000927104242 693555712 /nfs/dbraw/zinc/55/57/12/693555712.db2.gz KMFFMPHBVVOHOT-ZFWWWQNUSA-N 1 0 320.433 2.305 20 10 DECDRO COc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c(O)c1OC ZINC001335000245 1150365193 /nfs/dbraw/zinc/36/51/93/1150365193.db2.gz DHAVFEZJKZXLSJ-ZDUSSCGKSA-N 1 0 315.369 2.372 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCNC2=O)c(C(F)(F)F)c1 ZINC001335132389 1150378213 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CO[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1OC ZINC001233452155 782249793 /nfs/dbraw/zinc/24/97/93/782249793.db2.gz MGLFGESYNSTSTP-BETUJISGSA-N 1 0 305.296 2.257 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001140098914 776792035 /nfs/dbraw/zinc/79/20/35/776792035.db2.gz SCQNJTIQULORLH-NOZJJQNGSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1O ZINC001140178825 776880255 /nfs/dbraw/zinc/88/02/55/776880255.db2.gz ZBRYJCXITMFLMV-AWEZNQCLSA-N 1 0 319.323 2.135 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccc(=S)[nH]n3)cc2)CC1 ZINC001167426569 777018720 /nfs/dbraw/zinc/01/87/20/777018720.db2.gz KMBWPHJZGRGDFL-UHFFFAOYSA-N 1 0 315.446 2.129 20 10 DECDRO Oc1cc(O)c(CCNc2cc(OC(F)F)cc[nH+]2)cc1O ZINC001168015723 779345294 /nfs/dbraw/zinc/34/52/94/779345294.db2.gz GIHJOTHYAZEERC-UHFFFAOYSA-N 1 0 312.272 2.454 20 10 DECDRO COCC1(CC(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001126985928 781576736 /nfs/dbraw/zinc/57/67/36/781576736.db2.gz SQNDCQBVSUUORC-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/40/19/66/785401966.db2.gz CBEYPNGGWAWLHN-UHFFFAOYSA-N 1 0 310.463 2.198 20 10 DECDRO Cn1nccc1CC[NH2+]Cc1ccc(Br)cc1O ZINC000691463793 785812907 /nfs/dbraw/zinc/81/29/07/785812907.db2.gz PWGZUALGPUGFFB-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691486417 786085492 /nfs/dbraw/zinc/08/54/92/786085492.db2.gz GKMUMUFYEHYCIY-UHFFFAOYSA-N 1 0 316.195 2.444 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1C ZINC001135839182 789520953 /nfs/dbraw/zinc/52/09/53/789520953.db2.gz ZKEWNXIARPMIEY-GOEBONIOSA-N 1 0 320.433 2.025 20 10 DECDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 ZINC001148585909 791777852 /nfs/dbraw/zinc/77/78/52/791777852.db2.gz DMBYCOQZDKWAFD-UHFFFAOYSA-N 1 0 316.357 2.160 20 10 DECDRO [NH3+][C@H]1CCN(Cc2cc(Br)ccc2O)CC[C@H]1F ZINC001206153716 793272126 /nfs/dbraw/zinc/27/21/26/793272126.db2.gz FICHONHJEWIRJJ-NEPJUHHUSA-N 1 0 317.202 2.416 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC001172181954 793364668 /nfs/dbraw/zinc/36/46/68/793364668.db2.gz JALYNYUZWGXBGE-DLBZAZTESA-N 1 0 301.434 2.338 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1O ZINC001173472912 793732839 /nfs/dbraw/zinc/73/28/39/793732839.db2.gz PZSUXJWXVGWVLO-KRWDZBQOSA-N 1 0 321.323 2.166 20 10 DECDRO CCS(=O)(=O)c1ccc(O)c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176052303 794349221 /nfs/dbraw/zinc/34/92/21/794349221.db2.gz OJVAVHKVAYUQAI-UHFFFAOYSA-N 1 0 306.387 2.363 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(CO)CC2)c(O)c1C ZINC001116585272 794970621 /nfs/dbraw/zinc/97/06/21/794970621.db2.gz WCYCLYSJFLNOMR-HNNXBMFYSA-N 1 0 306.450 2.364 20 10 DECDRO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H](C)OC ZINC001117656408 795094510 /nfs/dbraw/zinc/09/45/10/795094510.db2.gz LHWGEZVSSNHXMV-OAHLLOKOSA-N 1 0 323.456 2.434 20 10 DECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118881720 795234955 /nfs/dbraw/zinc/23/49/55/795234955.db2.gz GELUZDFJTHYNAD-HNNXBMFYSA-N 1 0 323.456 2.170 20 10 DECDRO COC(=O)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001118883935 795235521 /nfs/dbraw/zinc/23/55/21/795235521.db2.gz NXELVSCRSLLWFW-PBHICJAKSA-N 1 0 318.417 2.049 20 10 DECDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275007 795325898 /nfs/dbraw/zinc/32/58/98/795325898.db2.gz LDTGBFKHXAFGIH-SFHVURJKSA-N 1 0 318.417 2.321 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206436600 795387080 /nfs/dbraw/zinc/38/70/80/795387080.db2.gz MYAOVUNNYQMXEO-VXGBXAGGSA-N 1 0 317.202 2.334 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1 ZINC001206444666 795435176 /nfs/dbraw/zinc/43/51/76/795435176.db2.gz KASUFMALEHEHNP-QWRGUYRKSA-N 1 0 317.202 2.334 20 10 DECDRO COCCO[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001181164798 795439080 /nfs/dbraw/zinc/43/90/80/795439080.db2.gz ZMBCYVOHQLVMCZ-AWEZNQCLSA-N 1 0 309.406 2.337 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc(O)c1O ZINC001204345393 795704815 /nfs/dbraw/zinc/70/48/15/795704815.db2.gz QHQJSTDAOLPTKQ-ZDUSSCGKSA-N 1 0 300.358 2.491 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@@H]2CCCO2)cc1C ZINC001123924968 796001304 /nfs/dbraw/zinc/00/13/04/796001304.db2.gz QUSDOYTWWZLTBX-INIZCTEOSA-N 1 0 320.433 2.169 20 10 DECDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831694 796144281 /nfs/dbraw/zinc/14/42/81/796144281.db2.gz KDLIQJLEZCMEMK-QWHCGFSZSA-N 1 0 314.360 2.312 20 10 DECDRO CCN1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001138127326 796167288 /nfs/dbraw/zinc/16/72/88/796167288.db2.gz WUMQFVNCIGQOAI-QGZVFWFLSA-N 1 0 306.381 2.366 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)ccc21 ZINC001138354680 796204291 /nfs/dbraw/zinc/20/42/91/796204291.db2.gz PRSIPYVFPMPIPG-QGZVFWFLSA-N 1 0 316.445 2.185 20 10 DECDRO CC(=O)NC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354255 796204639 /nfs/dbraw/zinc/20/46/39/796204639.db2.gz CFHDHUDABRKYDB-UHFFFAOYSA-N 1 0 301.434 2.170 20 10 DECDRO COc1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c(O)c1 ZINC001203627905 796325021 /nfs/dbraw/zinc/32/50/21/796325021.db2.gz RSPIFWWODOIMJP-UHFFFAOYSA-N 1 0 324.380 2.250 20 10 DECDRO COc1cc(CN2CCn3cccc3C2)cc(C[NH+](C)C)c1O ZINC001139256429 796350534 /nfs/dbraw/zinc/35/05/34/796350534.db2.gz BAYFXUVUNYUZDS-UHFFFAOYSA-N 1 0 315.417 2.280 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c1O ZINC001140184253 796487616 /nfs/dbraw/zinc/48/76/16/796487616.db2.gz OVUCMDRPWJOXNQ-UHFFFAOYSA-N 1 0 316.401 2.028 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1O ZINC001140185165 796487756 /nfs/dbraw/zinc/48/77/56/796487756.db2.gz QQAHNMYEARPTLB-GJZGRUSLSA-N 1 0 304.434 2.302 20 10 DECDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282536 796501670 /nfs/dbraw/zinc/50/16/70/796501670.db2.gz CTYYENJSFCIZHC-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661569 796552246 /nfs/dbraw/zinc/55/22/46/796552246.db2.gz JSHCEPQSDVBTFK-KRWDZBQOSA-N 1 0 308.397 2.009 20 10 DECDRO CC(C)[N@H+](CCCO)Cc1ccc(N2CCOCC2)cc1F ZINC001140661751 796552682 /nfs/dbraw/zinc/55/26/82/796552682.db2.gz QYECXCIRGFXTNQ-UHFFFAOYSA-N 1 0 310.413 2.255 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c1O ZINC001140747886 796567724 /nfs/dbraw/zinc/56/77/24/796567724.db2.gz CAWLPSKJUNDNSO-CQSZACIVSA-N 1 0 318.417 2.097 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(C)=O)CC2)c(O)c1 ZINC001140851823 796583846 /nfs/dbraw/zinc/58/38/46/796583846.db2.gz QAGJGEYSBIMEMD-UHFFFAOYSA-N 1 0 319.449 2.339 20 10 DECDRO Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c(O)c1 ZINC001140949528 796605515 /nfs/dbraw/zinc/60/55/15/796605515.db2.gz DGXBHDCEMYZELW-UHFFFAOYSA-N 1 0 303.406 2.331 20 10 DECDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c(O)c1 ZINC001140949920 796606813 /nfs/dbraw/zinc/60/68/13/796606813.db2.gz KMFFZLBGNKZAJW-OAHLLOKOSA-N 1 0 302.418 2.391 20 10 DECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029007 796620230 /nfs/dbraw/zinc/62/02/30/796620230.db2.gz HEGXDVNLFZVEBI-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(OC)c1 ZINC001141026782 796620667 /nfs/dbraw/zinc/62/06/67/796620667.db2.gz CTRXODCKVUWQLM-CYBMUJFWSA-N 1 0 306.406 2.080 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074400 796631558 /nfs/dbraw/zinc/63/15/58/796631558.db2.gz HJJLOGQVJNGYSG-QGZVFWFLSA-N 1 0 314.429 2.380 20 10 DECDRO CN1CCOc2cc(CN3C[C@H]4[C@H](C3)CCC[N@@H+]4C)ccc21 ZINC001141145742 796639734 /nfs/dbraw/zinc/63/97/34/796639734.db2.gz ZBNOZEUKBPEARM-RDJZCZTQSA-N 1 0 301.434 2.041 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141155933 796641311 /nfs/dbraw/zinc/64/13/11/796641311.db2.gz AZOHPEAWDMCTHX-OLZOCXBDSA-N 1 0 323.286 2.325 20 10 DECDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141157019 796641807 /nfs/dbraw/zinc/64/18/07/796641807.db2.gz APURVIABWHRSIM-AGGWBTHJSA-N 1 0 320.389 2.053 20 10 DECDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237335299 796998302 /nfs/dbraw/zinc/99/83/02/796998302.db2.gz MIPSQMCHJVOXCS-GFCCVEGCSA-N 1 0 300.406 2.074 20 10 DECDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(O)c1O ZINC001193114349 797506107 /nfs/dbraw/zinc/50/61/07/797506107.db2.gz QRFARRDKWROABN-GFCCVEGCSA-N 1 0 322.405 2.101 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cncnc3Cl)cc2)CC1 ZINC001156656147 798054197 /nfs/dbraw/zinc/05/41/97/798054197.db2.gz QAXCMZFOFVFWSV-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO CC(C)[C@@]1(C(=O)N2CCc3cccc(O)c3C2)CCC[NH2+]C1 ZINC001160872359 798752722 /nfs/dbraw/zinc/75/27/22/798752722.db2.gz KPSRHRQKCVITTL-GOSISDBHSA-N 1 0 302.418 2.303 20 10 DECDRO Nc1ccc(CC(=O)N2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001161209993 798810174 /nfs/dbraw/zinc/81/01/74/798810174.db2.gz HLSXLOKSKRTDEA-UHFFFAOYSA-N 1 0 301.434 2.050 20 10 DECDRO C[NH+]1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3)cc2)CC1 ZINC000201054768 799020614 /nfs/dbraw/zinc/02/06/14/799020614.db2.gz KIIHIVLCPHSVLY-GOSISDBHSA-N 1 0 322.412 2.293 20 10 DECDRO CCN1CCC2(CC[NH+](Cc3cc(OC)ccc3O)CC2)C1=O ZINC001203680885 800104900 /nfs/dbraw/zinc/10/49/00/800104900.db2.gz IEHPHNYRRCEUNX-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878453 800138784 /nfs/dbraw/zinc/13/87/84/800138784.db2.gz GXIIFGOIVOKQIB-GOSISDBHSA-N 1 0 318.417 2.321 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](CCCO)CC2)cc1 ZINC001203940202 800149315 /nfs/dbraw/zinc/14/93/15/800149315.db2.gz IXNKHNOOUHGBDU-UHFFFAOYSA-N 1 0 305.466 2.033 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276299 800199196 /nfs/dbraw/zinc/19/91/96/800199196.db2.gz JTESVTIPKNDOJO-QWHCGFSZSA-N 1 0 323.286 2.325 20 10 DECDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204318961 800203956 /nfs/dbraw/zinc/20/39/56/800203956.db2.gz BCSICEJTWGWPQK-UHFFFAOYSA-N 1 0 313.445 2.389 20 10 DECDRO O=C1NCC[C@]12CCC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327768 800205552 /nfs/dbraw/zinc/20/55/52/800205552.db2.gz HVKDMTZSVAEHPC-IBGZPJMESA-N 1 0 313.445 2.389 20 10 DECDRO Cc1nc[nH]c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001204589309 800236520 /nfs/dbraw/zinc/23/65/20/800236520.db2.gz SLGHKXOXOBEUDU-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c(O)c1 ZINC001205560957 800376638 /nfs/dbraw/zinc/37/66/38/800376638.db2.gz GKZJPWZZFGKTDV-OAHLLOKOSA-N 1 0 323.433 2.224 20 10 DECDRO CCOc1ccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205788975 800421038 /nfs/dbraw/zinc/42/10/38/800421038.db2.gz UPINZCSJCXSRIA-GFCCVEGCSA-N 1 0 300.349 2.207 20 10 DECDRO CCOC(=O)c1c(CN2C[C@@H](C)[C@H]([NH3+])C2)c2ccccc2n1C ZINC001206070801 800467504 /nfs/dbraw/zinc/46/75/04/800467504.db2.gz SIHJJFDBAXQHPG-IUODEOHRSA-N 1 0 315.417 2.134 20 10 DECDRO COc1cc(O)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c(Cl)c1 ZINC001206146666 800480476 /nfs/dbraw/zinc/48/04/76/800480476.db2.gz XIKOJBBFDCKLEB-MRVPVSSYSA-N 1 0 306.740 2.223 20 10 DECDRO CCOC(=O)c1c(CN2CC[NH2+][C@H](C)C2)c2ccccc2n1C ZINC001206396440 800525393 /nfs/dbraw/zinc/52/53/93/800525393.db2.gz LMKFHZJRAHRALY-CYBMUJFWSA-N 1 0 315.417 2.149 20 10 DECDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001206425984 800530184 /nfs/dbraw/zinc/53/01/84/800530184.db2.gz YEOCGDMMGVQEAA-IRXDYDNUSA-N 1 0 303.425 2.257 20 10 DECDRO COc1ccc(N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208603293 801026826 /nfs/dbraw/zinc/02/68/26/801026826.db2.gz AHXGWXGEYCHJTH-INIZCTEOSA-N 1 0 303.450 2.159 20 10 DECDRO Cc1cc(CN2CC[NH2+]C[C@@H](F)C2)c(O)cc1Br ZINC001210815249 801468506 /nfs/dbraw/zinc/46/85/06/801468506.db2.gz QYQCRPXFKMDJMT-LLVKDONJSA-N 1 0 317.202 2.206 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589155 801690910 /nfs/dbraw/zinc/69/09/10/801690910.db2.gz CYAXUEUJDDQRQU-AWEZNQCLSA-N 1 0 313.401 2.439 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(O)cc1O ZINC001231636103 801700369 /nfs/dbraw/zinc/70/03/69/801700369.db2.gz JXAXBDCHJXRWDK-CYBMUJFWSA-N 1 0 300.358 2.491 20 10 DECDRO COc1cc(C[NH+]2CCC3(CCCOC3)CC2)c(O)cc1O ZINC001231636926 801700821 /nfs/dbraw/zinc/70/08/21/801700821.db2.gz ASSJBUWYBJPSDR-UHFFFAOYSA-N 1 0 307.390 2.499 20 10 DECDRO COc1cc(C[N@H+](C)Cc2cccc3c2OCO3)c(O)cc1O ZINC001231638679 801702268 /nfs/dbraw/zinc/70/22/68/801702268.db2.gz ASPGVHZMLLYYKH-UHFFFAOYSA-N 1 0 317.341 2.467 20 10 DECDRO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)c(O)cc1O ZINC001231638342 801702488 /nfs/dbraw/zinc/70/24/88/801702488.db2.gz YCPCRZIEFKMLLG-UHFFFAOYSA-N 1 0 303.362 2.140 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883966 801744016 /nfs/dbraw/zinc/74/40/16/801744016.db2.gz WAMQGEAAIMHXAO-UHFFFAOYSA-N 1 0 315.369 2.045 20 10 DECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194478 801812259 /nfs/dbraw/zinc/81/22/59/801812259.db2.gz ICIVGOADHRDCQG-ZFWWWQNUSA-N 1 0 324.852 2.379 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194721 801813388 /nfs/dbraw/zinc/81/33/88/801813388.db2.gz LEIVNFZSAASEQR-QGZVFWFLSA-N 1 0 324.852 2.381 20 10 DECDRO Oc1cc(CN2CC[NH+](CC3CCCC3)CC2)cc(O)c1O ZINC001233013227 802002248 /nfs/dbraw/zinc/00/22/48/802002248.db2.gz NUKJGSBONWAIMK-UHFFFAOYSA-N 1 0 306.406 2.111 20 10 DECDRO C[NH+](C)[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027233 802006733 /nfs/dbraw/zinc/00/67/33/802006733.db2.gz NYCFBVUMPZOJKW-JTQLQIEISA-N 1 0 317.202 2.430 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1 ZINC001233284345 802064213 /nfs/dbraw/zinc/06/42/13/802064213.db2.gz QZOHNZLNILUJII-FUHWJXTLSA-N 1 0 307.434 2.255 20 10 DECDRO COc1cc(Cl)cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001233290459 802064924 /nfs/dbraw/zinc/06/49/24/802064924.db2.gz DBVJFWVLYLJCDA-MLGOLLRUSA-N 1 0 310.825 2.438 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233419263 802113193 /nfs/dbraw/zinc/11/31/93/802113193.db2.gz QMXDTYXYDRFZCB-GFCCVEGCSA-N 1 0 318.339 2.173 20 10 DECDRO CC(=O)N1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1C ZINC001233455105 802121027 /nfs/dbraw/zinc/12/10/27/802121027.db2.gz WRGWHVRRRUDYKM-SNVBAGLBSA-N 1 0 316.323 2.464 20 10 DECDRO CS(=O)(=O)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453972 802121908 /nfs/dbraw/zinc/12/19/08/802121908.db2.gz AZBKHEMNVFGCHM-LLVKDONJSA-N 1 0 323.336 2.030 20 10 DECDRO Cc1cccc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233482375 802125621 /nfs/dbraw/zinc/12/56/21/802125621.db2.gz LTONUJPLPFZDQN-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001218330411 802168560 /nfs/dbraw/zinc/16/85/60/802168560.db2.gz LPFXQFODVSEDQS-UZCIPKQKSA-N 1 0 319.360 2.449 20 10 DECDRO COCC[NH+](CCOC)Cc1cccc(OC(F)(F)F)c1O ZINC001233727233 802191314 /nfs/dbraw/zinc/19/13/14/802191314.db2.gz KTDVMALOEZFVLF-UHFFFAOYSA-N 1 0 323.311 2.386 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC001219640555 802357632 /nfs/dbraw/zinc/35/76/32/802357632.db2.gz ABFIUZQUBDRZTO-BILQUBDUSA-N 1 0 301.434 2.128 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)c1cc[nH+]cc1CO ZINC001335405123 1150409085 /nfs/dbraw/zinc/40/90/85/1150409085.db2.gz KFENBJDGWWNTEI-UHFFFAOYSA-N 1 0 313.401 2.047 20 10 DECDRO C[NH2+]CCCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001343721764 1150767076 /nfs/dbraw/zinc/76/70/76/1150767076.db2.gz JTAFNBINDLPCPS-OAHLLOKOSA-N 1 0 319.449 2.027 20 10 DECDRO CCON(CC)C(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001351340927 1151522050 /nfs/dbraw/zinc/52/20/50/1151522050.db2.gz IOMNRPNVKOGDSO-UHFFFAOYSA-N 1 0 305.422 2.176 20 10 DECDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001450422728 1056330810 /nfs/dbraw/zinc/33/08/10/1056330810.db2.gz JXIAQMYFTILPGZ-HNNXBMFYSA-N 1 0 320.433 2.267 20 10 DECDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCOCC1 ZINC001461013745 1058569278 /nfs/dbraw/zinc/56/92/78/1058569278.db2.gz MGANYDYLNRWXTF-GOSISDBHSA-N 1 0 323.456 2.338 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC001462584370 1058857192 /nfs/dbraw/zinc/85/71/92/1058857192.db2.gz KUZRCZPYZFLFRH-LBPRGKRZSA-N 1 0 303.362 2.390 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900116 1059381990 /nfs/dbraw/zinc/38/19/90/1059381990.db2.gz NQQGATRHLYQTCH-YGRLFVJLSA-N 1 0 315.377 2.062 20 10 DECDRO CC(C)C[NH+]1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC001465955525 1059394227 /nfs/dbraw/zinc/39/42/27/1059394227.db2.gz YSKWKUWUODFSBY-UHFFFAOYSA-N 1 0 306.406 2.082 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)C2(O)CCCC2)C2CC2)cc1 ZINC001473115151 1060649775 /nfs/dbraw/zinc/64/97/75/1060649775.db2.gz LXMZTOIMXCZPAK-GOSISDBHSA-N 1 0 318.461 2.383 20 10 DECDRO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1O ZINC001473722884 1060716349 /nfs/dbraw/zinc/71/63/49/1060716349.db2.gz RGUZEIMOEGJFCF-CYBMUJFWSA-N 1 0 309.373 2.261 20 10 DECDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c(C)c3ccccc3n1C)CC2 ZINC001473975547 1060785692 /nfs/dbraw/zinc/78/56/92/1060785692.db2.gz CDCYWKAKKVUGPB-CQSZACIVSA-N 1 0 309.417 2.491 20 10 DECDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474112135 1060817659 /nfs/dbraw/zinc/81/76/59/1060817659.db2.gz UTVFQKFBQGUTFG-GOSISDBHSA-N 1 0 324.424 2.459 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@]2(C(=O)OC)CCOC2)cc1C ZINC001474304239 1060848735 /nfs/dbraw/zinc/84/87/35/1060848735.db2.gz MAEYUXBTMXDPDY-SFHVURJKSA-N 1 0 321.417 2.453 20 10 DECDRO CCC[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC001474414794 1060864975 /nfs/dbraw/zinc/86/49/75/1060864975.db2.gz GJIGBYBDNUYLDM-ZDUSSCGKSA-N 1 0 317.838 2.445 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001621306702 1078172064 /nfs/dbraw/zinc/17/20/64/1078172064.db2.gz SMOPDGMURCCECW-SUMWQHHRSA-N 1 0 307.390 2.089 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NCCCCC[NH+]1CCCC1 ZINC001628362653 1078296287 /nfs/dbraw/zinc/29/62/87/1078296287.db2.gz MSDXZAVNODXMLN-UHFFFAOYSA-N 1 0 306.406 2.023 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001628727438 1078302750 /nfs/dbraw/zinc/30/27/50/1078302750.db2.gz XEXFIPIVYFIJTQ-UHFFFAOYSA-N 1 0 319.449 2.456 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001628981512 1078307932 /nfs/dbraw/zinc/30/79/32/1078307932.db2.gz FEXPGKYZVIUOOZ-KGLIPLIRSA-N 1 0 317.393 2.452 20 10 DECDRO C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[NH+](C)C ZINC001629107848 1078310061 /nfs/dbraw/zinc/31/00/61/1078310061.db2.gz PSMSWRZZBIYHFR-GFCCVEGCSA-N 1 0 309.373 2.285 20 10 DECDRO CC(C)[NH2+]CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001575731278 1066411034 /nfs/dbraw/zinc/41/10/34/1066411034.db2.gz YENUZUSHWZQEMA-UHFFFAOYSA-N 1 0 305.466 2.125 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](OC)C2CC2)cc1C ZINC001498038592 1066474277 /nfs/dbraw/zinc/47/42/77/1066474277.db2.gz XMURCRFYADUILN-SUMWQHHRSA-N 1 0 320.433 2.023 20 10 DECDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001576237861 1066532930 /nfs/dbraw/zinc/53/29/30/1066532930.db2.gz AICVJXPYLMJUSS-AWEZNQCLSA-N 1 0 301.434 2.434 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC001635001062 1078441813 /nfs/dbraw/zinc/44/18/13/1078441813.db2.gz AFZGALYBPSGYAS-HNNXBMFYSA-N 1 0 323.412 2.451 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC001579589881 1067378393 /nfs/dbraw/zinc/37/83/93/1067378393.db2.gz PGGMHNIZYOBLEH-QWHCGFSZSA-N 1 0 313.401 2.372 20 10 DECDRO Cc1cc(CNC(=O)[C@H](F)C2C[NH2+]C2)c(C)n1-c1ccccc1 ZINC001579602294 1067381529 /nfs/dbraw/zinc/38/15/29/1067381529.db2.gz ZFUSLOZDNQATIL-QGZVFWFLSA-N 1 0 315.392 2.268 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001579616827 1067385920 /nfs/dbraw/zinc/38/59/20/1067385920.db2.gz GRCWANSCGNGVEN-CABCVRRESA-N 1 0 303.450 2.108 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001580261875 1067546069 /nfs/dbraw/zinc/54/60/69/1067546069.db2.gz MCMAKTLPZWEQCE-YPMHNXCESA-N 1 0 303.366 2.096 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCC23CCC3)c1 ZINC001521565672 1069254868 /nfs/dbraw/zinc/25/48/68/1069254868.db2.gz JNRMTPONZIYTRB-DOMZBBRYSA-N 1 0 318.417 2.358 20 10 DECDRO CC[NH+]1CCC2(C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001272445795 1078879695 /nfs/dbraw/zinc/87/96/95/1078879695.db2.gz LHQFUTQDWJXGBV-KRWDZBQOSA-N 1 0 315.461 2.491 20 10 DECDRO Cc1cc(Br)c(O)c(CN(C2CC2)C2C[NH2+]C2)c1 ZINC001236062865 1084599677 /nfs/dbraw/zinc/59/96/77/1084599677.db2.gz CIPCCTXBPNFSCW-UHFFFAOYSA-N 1 0 311.223 2.399 20 10 DECDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272618513 1079015595 /nfs/dbraw/zinc/01/55/95/1079015595.db2.gz KESUHALTURUALM-GOSISDBHSA-N 1 0 302.418 2.473 20 10 DECDRO O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272619629 1079017366 /nfs/dbraw/zinc/01/73/66/1079017366.db2.gz XFYBVTHXXYNWOQ-ZDUSSCGKSA-N 1 0 324.371 2.376 20 10 DECDRO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c(O)c1 ZINC001272625897 1079019294 /nfs/dbraw/zinc/01/92/94/1079019294.db2.gz PNRLRCQAFORDOL-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO Cc1cc(Br)cc(CN2CC[NH2+]C3(CC3)C2)c1O ZINC001235936343 1079055433 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CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC001653287781 1079924448 /nfs/dbraw/zinc/92/44/48/1079924448.db2.gz GZENTCMCGNUGRV-LLVKDONJSA-N 1 0 313.394 2.287 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(=O)NCc2ccccc2)cc1F ZINC001656037031 1080031870 /nfs/dbraw/zinc/03/18/70/1080031870.db2.gz IHXHCCOOZOWFEM-UHFFFAOYSA-N 1 0 315.392 2.298 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC001657753370 1080184832 /nfs/dbraw/zinc/18/48/32/1080184832.db2.gz AQAKEQCKOJLHAP-UHFFFAOYSA-N 1 0 321.417 2.338 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC001657886058 1080188603 /nfs/dbraw/zinc/18/86/03/1080188603.db2.gz KBABYENOSFQDSN-SUMWQHHRSA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC001658144972 1080197665 /nfs/dbraw/zinc/19/76/65/1080197665.db2.gz WVPQZPJBJMKXHA-ZDUSSCGKSA-N 1 0 322.405 2.372 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C1(CCO)CCN(C)CC1 ZINC001658190855 1080200140 /nfs/dbraw/zinc/20/01/40/1080200140.db2.gz DJPDQAUDVVVYBK-UHFFFAOYSA-N 1 0 315.461 2.423 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c(O)c1 ZINC001658202339 1080202504 /nfs/dbraw/zinc/20/25/04/1080202504.db2.gz QGXYGXMNKWSCIA-AWEZNQCLSA-N 1 0 306.406 2.057 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C)c[nH]c2=O)c(O)c1OC ZINC001659035449 1080227331 /nfs/dbraw/zinc/22/73/31/1080227331.db2.gz RELSGCGOEAIJNO-UHFFFAOYSA-N 1 0 304.346 2.108 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(O)c1 ZINC001660059166 1080261146 /nfs/dbraw/zinc/26/11/46/1080261146.db2.gz TZKJSPQOJSJWBS-CQSZACIVSA-N 1 0 321.417 2.215 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001660355322 1080316054 /nfs/dbraw/zinc/31/60/54/1080316054.db2.gz CWBVGYKLSDJONS-UHFFFAOYSA-N 1 0 308.378 2.030 20 10 DECDRO COc1ccc(C[NH2+][C@@]23CCC[C@]2(OC)OCC3)c(O)c1OC ZINC001660685806 1080379253 /nfs/dbraw/zinc/37/92/53/1080379253.db2.gz KZWCMMIBTANMMG-SJORKVTESA-N 1 0 323.389 2.185 20 10 DECDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706883264 1082292158 /nfs/dbraw/zinc/29/21/58/1082292158.db2.gz LCKBAWXBCARSNV-PWJLMRLQSA-N 1 0 306.225 2.011 20 10 DECDRO Oc1c(F)cccc1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001276537035 1083484243 /nfs/dbraw/zinc/48/42/43/1083484243.db2.gz ARZWIKTZKZNWCP-IYBDPMFKSA-N 1 0 320.408 2.359 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276814220 1083626481 /nfs/dbraw/zinc/62/64/81/1083626481.db2.gz FIYNBWKLVFNGGD-SFHVURJKSA-N 1 0 320.433 2.088 20 10 DECDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205210209 1083789459 /nfs/dbraw/zinc/78/94/59/1083789459.db2.gz NNZDUNSAVCAKGD-CQSZACIVSA-N 1 0 319.232 2.375 20 10 DECDRO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2)C(C)C ZINC001277441170 1083970565 /nfs/dbraw/zinc/97/05/65/1083970565.db2.gz IGXCNJBGMADQTK-HNNXBMFYSA-N 1 0 302.418 2.471 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001277519246 1084011523 /nfs/dbraw/zinc/01/15/23/1084011523.db2.gz PTMCVFDGECZVAF-KRWDZBQOSA-N 1 0 308.397 2.136 20 10 DECDRO COC(=O)C[C@H]1C[NH2+]CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001235849739 1084548909 /nfs/dbraw/zinc/54/89/09/1084548909.db2.gz SCCSIQQXGMQWDW-HNNXBMFYSA-N 1 0 320.433 2.027 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H](C)[NH2+]1 ZINC001235901333 1084560581 /nfs/dbraw/zinc/56/05/81/1084560581.db2.gz KHDAWAKRLIMFRH-OKILXGFUSA-N 1 0 323.868 2.359 20 10 DECDRO Clc1cc(CN(C2CC2)C2C[NH2+]C2)ccc1N1CCOCC1 ZINC001236063695 1084601481 /nfs/dbraw/zinc/60/14/81/1084601481.db2.gz JBDXKMPGNHXVHN-UHFFFAOYSA-N 1 0 321.852 2.113 20 10 DECDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001236130453 1084619168 /nfs/dbraw/zinc/61/91/68/1084619168.db2.gz GWRVTOPCSNQMRL-QGZVFWFLSA-N 1 0 321.440 2.236 20 10 DECDRO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001272987944 1085804665 /nfs/dbraw/zinc/80/46/65/1085804665.db2.gz MAIQQPOXOPOOKH-HZPDHXFCSA-N 1 0 318.417 2.319 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC3(CCN3C(=O)NC(C)C)C2)c(O)c1 ZINC001276365593 1085827158 /nfs/dbraw/zinc/82/71/58/1085827158.db2.gz RWKPMDIFMLKTPS-UHFFFAOYSA-N 1 0 317.433 2.387 20 10 DECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706808431 1086652542 /nfs/dbraw/zinc/65/25/42/1086652542.db2.gz NZVOBOCWVVZYSJ-VIFPVBQESA-N 1 0 315.211 2.111 20 10 DECDRO C[C@H]1C[C@@H](C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC001292996406 1091452797 /nfs/dbraw/zinc/45/27/97/1091452797.db2.gz CZXZHLHATSLWCZ-RYUDHWBXSA-N 1 0 313.492 2.472 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c1O ZINC001276080801 1091516207 /nfs/dbraw/zinc/51/62/07/1091516207.db2.gz VKGAPIUOYHMWPJ-IRXDYDNUSA-N 1 0 312.417 2.273 20 10 DECDRO COc1ccc(O)c(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c1 ZINC001275279298 1091649797 /nfs/dbraw/zinc/64/97/97/1091649797.db2.gz XBEWOGXOVPXUDQ-UHFFFAOYSA-N 1 0 313.401 2.047 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](OC)C(C)C)cc1C ZINC001275297413 1091657221 /nfs/dbraw/zinc/65/72/21/1091657221.db2.gz KVRKXWAZRCYNLK-WMLDXEAASA-N 1 0 322.449 2.269 20 10 DECDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCCN2C ZINC001275420090 1091734260 /nfs/dbraw/zinc/73/42/60/1091734260.db2.gz SGHJUHNHUSFBJE-MQVJKMGUSA-N 1 0 301.434 2.230 20 10 DECDRO C[NH+]1CCC(n2cc(NC(=O)C3=CC(=O)CS3)cn2)CC1 ZINC001329587702 1148929893 /nfs/dbraw/zinc/92/98/93/1148929893.db2.gz NGDZWLXNHMMTCQ-UHFFFAOYSA-N 1 0 306.391 2.169 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CCCCO3)C2)c(O)c1 ZINC001277566500 1138330457 /nfs/dbraw/zinc/33/04/57/1138330457.db2.gz KBADUIRBCVZNCU-OAHLLOKOSA-N 1 0 316.401 2.077 20 10 DECDRO Oc1cc(C[N@H+]2CCCC[C@@H](O)C2)c(O)cc1Br ZINC001236764254 1138416754 /nfs/dbraw/zinc/41/67/54/1138416754.db2.gz DQTOIAJRMCCVCO-SNVBAGLBSA-N 1 0 316.195 2.207 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236807661 1138434546 /nfs/dbraw/zinc/43/45/46/1138434546.db2.gz IBVZXYDOJLGUOQ-CHWSQXEVSA-N 1 0 307.390 2.483 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812028 1138437386 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Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC001237641098 1138731282 /nfs/dbraw/zinc/73/12/82/1138731282.db2.gz LWYZHBNLKOCOJI-QGZVFWFLSA-N 1 0 317.360 2.391 20 10 DECDRO COc1cc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c(OC)c1 ZINC001237668836 1138746123 /nfs/dbraw/zinc/74/61/23/1138746123.db2.gz GZAUSFDROJUQNM-QGZVFWFLSA-N 1 0 309.406 2.392 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237672859 1138746328 /nfs/dbraw/zinc/74/63/28/1138746328.db2.gz AZIPIQKJPOKADB-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c(OC)c1 ZINC001237675587 1138749693 /nfs/dbraw/zinc/74/96/93/1138749693.db2.gz YDBMBKKOUZKMSH-SJCJKPOMSA-N 1 0 309.406 2.392 20 10 DECDRO COc1cc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c(O)c(OC)c1 ZINC001237682401 1138754500 /nfs/dbraw/zinc/75/45/00/1138754500.db2.gz YYSIEDKQBVWJKB-UHFFFAOYSA-N 1 0 316.357 2.068 20 10 DECDRO COc1cc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(O)c(OC)c1 ZINC001237684768 1138755042 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COc1ccc(O)c([C@H](C)NC(=O)CC[N@@H+]2CC[C@@H](F)C2)c1 ZINC001294936628 1139308154 /nfs/dbraw/zinc/30/81/54/1139308154.db2.gz IDFHLSOVIWAWGX-NWDGAFQWSA-N 1 0 310.369 2.012 20 10 DECDRO Cn1ccc2c1cccc2-c1nccnc1N1CC[NH+](C)CC1 ZINC001241820728 1139855919 /nfs/dbraw/zinc/85/59/19/1139855919.db2.gz RTKHBXIJYUFSIH-UHFFFAOYSA-N 1 0 307.401 2.387 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001319839995 1140757754 /nfs/dbraw/zinc/75/77/54/1140757754.db2.gz RGZSQIZDBAMSIS-GDBMZVCRSA-N 1 0 321.440 2.235 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@H]3O)n2)cc1 ZINC001247714496 1141456161 /nfs/dbraw/zinc/45/61/61/1141456161.db2.gz HIFZJQXTMLHGGX-JKSUJKDBSA-N 1 0 324.384 2.192 20 10 DECDRO CC[N@H+](C)Cc1cc(I)cc(OC)c1O ZINC001248386388 1141786105 /nfs/dbraw/zinc/78/61/05/1141786105.db2.gz MIUNKCPNIUPNBK-UHFFFAOYSA-N 1 0 321.158 2.457 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC001249171496 1141856655 /nfs/dbraw/zinc/85/66/55/1141856655.db2.gz CMGONZLMXHFXFM-RDJZCZTQSA-N 1 0 319.401 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001249172231 1141856775 /nfs/dbraw/zinc/85/67/75/1141856775.db2.gz JUOXCVWSWNILQJ-FZKQIMNGSA-N 1 0 321.417 2.091 20 10 DECDRO CC(C)[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001324577357 1142118311 /nfs/dbraw/zinc/11/83/11/1142118311.db2.gz XRRMETUJXZEMDU-QGZVFWFLSA-N 1 0 319.449 2.027 20 10 DECDRO Oc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1O ZINC001250686574 1142266007 /nfs/dbraw/zinc/26/60/07/1142266007.db2.gz VSYAVYVUDIGZNF-ZDUSSCGKSA-N 1 0 323.776 2.281 20 10 DECDRO CCCC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001252095706 1142638963 /nfs/dbraw/zinc/63/89/63/1142638963.db2.gz DWSPAAOTVSYXML-OAHLLOKOSA-N 1 0 322.449 2.377 20 10 DECDRO Nc1ccc(CNC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC001336974925 1142644930 /nfs/dbraw/zinc/64/49/30/1142644930.db2.gz FHODLQXXXKDPDH-UHFFFAOYSA-N 1 0 304.438 2.380 20 10 DECDRO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001253460376 1142873316 /nfs/dbraw/zinc/87/33/16/1142873316.db2.gz UTMDIDNRCKLPPL-CQSZACIVSA-N 1 0 309.406 2.022 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)c(O)c1 ZINC001341082110 1143536324 /nfs/dbraw/zinc/53/63/24/1143536324.db2.gz YJEDZTWYJHZBJZ-KCXAZCMYSA-N 1 0 318.417 2.328 20 10 DECDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001255338550 1143563157 /nfs/dbraw/zinc/56/31/57/1143563157.db2.gz NBXBZTMNWNQCQI-OLZOCXBDSA-N 1 0 323.389 2.057 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC001341695942 1143670714 /nfs/dbraw/zinc/67/07/14/1143670714.db2.gz IAXJLPKOGILKIJ-SQWLQELKSA-N 1 0 319.424 2.429 20 10 DECDRO C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001261370510 1144239254 /nfs/dbraw/zinc/23/92/54/1144239254.db2.gz LMOUOEUDWFRXBG-JTQLQIEISA-N 1 0 301.228 2.408 20 10 DECDRO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCF ZINC001492133986 1147125493 /nfs/dbraw/zinc/12/54/93/1147125493.db2.gz YAZQNIBNWXHSCP-LLVKDONJSA-N 1 0 323.372 2.307 20 10 DECDRO O=c1[nH]c2ccccc2n1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308303732 1147465369 /nfs/dbraw/zinc/46/53/69/1147465369.db2.gz QKQCHUGMIDZCEM-UHFFFAOYSA-N 1 0 309.369 2.467 20 10 DECDRO CC(C)=CC[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317663691 1147740606 /nfs/dbraw/zinc/74/06/06/1147740606.db2.gz ADAXNCVWYNRJOB-UHFFFAOYSA-N 1 0 317.393 2.477 20 10 DECDRO COc1ccc(N2CCC(NC(=O)C[NH2+]C(C)(C)C)CC2)cc1 ZINC001318202127 1147796908 /nfs/dbraw/zinc/79/69/08/1147796908.db2.gz JKWQTZSBBIRKQE-UHFFFAOYSA-N 1 0 319.449 2.168 20 10 DECDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001326626213 1148167289 /nfs/dbraw/zinc/16/72/89/1148167289.db2.gz IJMWBHRRJMKKMI-GOEBONIOSA-N 1 0 302.418 2.405 20 10 DECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CS1(=O)=O ZINC001327211168 1148348664 /nfs/dbraw/zinc/34/86/64/1148348664.db2.gz XEGZQRHIXMZNCL-GOEBONIOSA-N 1 0 322.474 2.342 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H](O)COC)c1cc(Br)ccc1O ZINC000071266128 190949815 /nfs/dbraw/zinc/94/98/15/190949815.db2.gz WJNQKPKCPAGMKR-ZYHUDNBSSA-N 1 0 318.211 2.203 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000092070142 193151721 /nfs/dbraw/zinc/15/17/21/193151721.db2.gz GKAXSCHOCWCGNN-AWEZNQCLSA-N 1 0 316.405 2.295 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000092218104 193175038 /nfs/dbraw/zinc/17/50/38/193175038.db2.gz XWXRWMYPTOEZQB-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000093088351 193202198 /nfs/dbraw/zinc/20/21/98/193202198.db2.gz OCANPLNOKLNYCL-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295851621 533530332 /nfs/dbraw/zinc/53/03/32/533530332.db2.gz DZCJOWDLHHUYLP-SRCQZFHVSA-N 1 0 308.397 2.226 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000272809434 130066418 /nfs/dbraw/zinc/06/64/18/130066418.db2.gz ADGCNYQGTLABGV-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273368905 130112017 /nfs/dbraw/zinc/11/20/17/130112017.db2.gz FRPONOUZZOFSQY-NEPJUHHUSA-N 1 0 305.378 2.435 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000273783438 130166567 /nfs/dbraw/zinc/16/65/67/130166567.db2.gz TWGUXCPXQMCCEK-LLVKDONJSA-N 1 0 313.703 2.457 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1O ZINC000275726461 130370325 /nfs/dbraw/zinc/37/03/25/130370325.db2.gz ZJJARCGSVACDMF-BBRMVZONSA-N 1 0 317.389 2.144 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000280255436 130793090 /nfs/dbraw/zinc/79/30/90/130793090.db2.gz JFQKQCCODURKDG-QZTJIDSGSA-N 1 0 318.461 2.412 20 10 DECDRO COc1cccc(C[N@H+](CCCO)Cc2ccccn2)c1O ZINC000289490042 131390525 /nfs/dbraw/zinc/39/05/25/131390525.db2.gz RNCKBRXWNBNINJ-UHFFFAOYSA-N 1 0 302.374 2.180 20 10 DECDRO CSC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298587222 132069209 /nfs/dbraw/zinc/06/92/09/132069209.db2.gz KBPWJYQDJIVVIE-MRXNPFEDSA-N 1 0 321.490 2.196 20 10 DECDRO COCC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000291707682 404487781 /nfs/dbraw/zinc/48/77/81/404487781.db2.gz LAGVTAUOYLMJPV-UHFFFAOYSA-N 1 0 310.413 2.425 20 10 DECDRO CCNC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118557 401783535 /nfs/dbraw/zinc/78/35/35/401783535.db2.gz KKWPRJMQDIZSLC-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000078972979 401868554 /nfs/dbraw/zinc/86/85/54/401868554.db2.gz YTYZEYAYVIXGNU-QGZVFWFLSA-N 1 0 301.434 2.435 20 10 DECDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000134643029 401909514 /nfs/dbraw/zinc/90/95/14/401909514.db2.gz WKIHSFVDUYNZPJ-OFQRWUPVSA-N 1 0 320.408 2.250 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119049193 401921971 /nfs/dbraw/zinc/92/19/71/401921971.db2.gz WTERUHCXPVQGME-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)ccc21 ZINC000120135233 401979776 /nfs/dbraw/zinc/97/97/76/401979776.db2.gz QVMVITQMYYHEPD-SFHVURJKSA-N 1 0 301.434 2.075 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccn(C)c3)CC2)cc1F ZINC000091923257 401999483 /nfs/dbraw/zinc/99/94/83/401999483.db2.gz WZAKUHSTWWCIIG-UHFFFAOYSA-N 1 0 303.381 2.495 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664485 402018737 /nfs/dbraw/zinc/01/87/37/402018737.db2.gz HOUALGJWABUOMO-CYBMUJFWSA-N 1 0 310.825 2.200 20 10 DECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000153951350 402183025 /nfs/dbraw/zinc/18/30/25/402183025.db2.gz HOTYGVAUMPGYTL-HNNXBMFYSA-N 1 0 305.422 2.463 20 10 DECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000154000545 402186019 /nfs/dbraw/zinc/18/60/19/402186019.db2.gz WZOYKZDNMAJQHL-CYBMUJFWSA-N 1 0 308.378 2.111 20 10 DECDRO Cc1csc2nc(C[N@@H+](C)Cc3ccccc3O)cc(=O)n12 ZINC000109770887 402276136 /nfs/dbraw/zinc/27/61/36/402276136.db2.gz UWXPQHNCVPDZGO-UHFFFAOYSA-N 1 0 315.398 2.402 20 10 DECDRO COc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770995 402276222 /nfs/dbraw/zinc/27/62/22/402276222.db2.gz RMVXNEXCRLWAPD-UHFFFAOYSA-N 1 0 314.385 2.149 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)c1O ZINC000177145352 402374969 /nfs/dbraw/zinc/37/49/69/402374969.db2.gz WKFSHOICEJYAGS-CYBMUJFWSA-N 1 0 312.797 2.238 20 10 DECDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2ccc(N)cc2)([NH+](C)C)C1 ZINC000237597738 402414738 /nfs/dbraw/zinc/41/47/38/402414738.db2.gz YERPGFMFEFMIJP-RDTXWAMCSA-N 1 0 303.450 2.438 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)c1 ZINC000186591821 402445446 /nfs/dbraw/zinc/44/54/46/402445446.db2.gz XFLAVIBHYHCHKP-SJLPKXTDSA-N 1 0 323.433 2.447 20 10 DECDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000170789702 402525698 /nfs/dbraw/zinc/52/56/98/402525698.db2.gz QIWOZJISAXWEAU-WMLDXEAASA-N 1 0 323.456 2.454 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987791 402604882 /nfs/dbraw/zinc/60/48/82/402604882.db2.gz ZHBOKDZAZVSMIW-WMLDXEAASA-N 1 0 320.433 2.325 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000262727623 402730042 /nfs/dbraw/zinc/73/00/42/402730042.db2.gz ATMOBQMQQBWXDD-UONOGXRCSA-N 1 0 312.417 2.312 20 10 DECDRO CC[C@H](C(N)=O)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174425070 402740796 /nfs/dbraw/zinc/74/07/96/402740796.db2.gz TUIBKRNNWTYMBL-LLVKDONJSA-N 1 0 315.211 2.241 20 10 DECDRO C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193158239 402767522 /nfs/dbraw/zinc/76/75/22/402767522.db2.gz UCIAJSUSIFLMDU-QWHCGFSZSA-N 1 0 318.417 2.481 20 10 DECDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000193685251 402775424 /nfs/dbraw/zinc/77/54/24/402775424.db2.gz CWCKTGHDUZCBTM-RHSMWYFYSA-N 1 0 301.434 2.291 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)c1csc(CC[NH3+])n1 ZINC000194793934 402816033 /nfs/dbraw/zinc/81/60/33/402816033.db2.gz FVFBCEPPRNTERK-UHFFFAOYSA-N 1 0 319.430 2.402 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1OC ZINC000271800067 402884256 /nfs/dbraw/zinc/88/42/56/402884256.db2.gz IQSKFNUFWUAOHU-ZDUSSCGKSA-N 1 0 323.389 2.185 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000274250818 403039138 /nfs/dbraw/zinc/03/91/38/403039138.db2.gz KCHWROIECXWZMM-UHFFFAOYSA-N 1 0 302.447 2.387 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc1 ZINC000281251524 403061903 /nfs/dbraw/zinc/06/19/03/403061903.db2.gz XIKVEFPXDKMKGC-GOSISDBHSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268786007 403113630 /nfs/dbraw/zinc/11/36/30/403113630.db2.gz ZSSQRIBRAPCTMQ-ZIAGYGMSSA-N 1 0 310.463 2.228 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268868215 403120190 /nfs/dbraw/zinc/12/01/90/403120190.db2.gz GTZBTJBPIGASMG-SJORKVTESA-N 1 0 302.422 2.260 20 10 DECDRO COc1cccc(C[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000277475138 403221756 /nfs/dbraw/zinc/22/17/56/403221756.db2.gz KWIQVNPASBCTEJ-UHFFFAOYSA-N 1 0 311.275 2.407 20 10 DECDRO Cc1nccn1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000270810724 403226815 /nfs/dbraw/zinc/22/68/15/403226815.db2.gz HMYJNNXKFSIYRO-UHFFFAOYSA-N 1 0 314.433 2.160 20 10 DECDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294206088 403672771 /nfs/dbraw/zinc/67/27/71/403672771.db2.gz YCDHOXRTYZVHOV-KRWDZBQOSA-N 1 0 307.390 2.351 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294628189 403723526 /nfs/dbraw/zinc/72/35/26/403723526.db2.gz FTYNGDOIRJQPOT-KBPBESRZSA-N 1 0 305.422 2.463 20 10 DECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294902705 403737782 /nfs/dbraw/zinc/73/77/82/403737782.db2.gz XKKUDXNGBLVEDA-LSDHHAIUSA-N 1 0 310.397 2.482 20 10 DECDRO C[NH+](C)CC1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1 ZINC000294955583 403738542 /nfs/dbraw/zinc/73/85/42/403738542.db2.gz MMDNMANTPSCHLL-UHFFFAOYSA-N 1 0 310.369 2.089 20 10 DECDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000295232802 403805535 /nfs/dbraw/zinc/80/55/35/403805535.db2.gz 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404460046 /nfs/dbraw/zinc/46/00/46/404460046.db2.gz TXILVSJTBPOWKA-NVXWUHKLSA-N 1 0 304.434 2.304 20 10 DECDRO COc1c([O-])c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821539 404726836 /nfs/dbraw/zinc/72/68/36/404726836.db2.gz LGGTYWWYMGGKSK-QWHCGFSZSA-N 1 0 321.377 2.025 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1OC ZINC000367289946 404997377 /nfs/dbraw/zinc/99/73/77/404997377.db2.gz DTVORQGCUBAFFO-DZGCQCFKSA-N 1 0 320.433 2.468 20 10 DECDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000367415524 405041827 /nfs/dbraw/zinc/04/18/27/405041827.db2.gz OEFOWRDRPGUDDK-UHFFFAOYSA-N 1 0 302.334 2.123 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000369140163 227024962 /nfs/dbraw/zinc/02/49/62/227024962.db2.gz PILTXXYXQURBEU-HNNXBMFYSA-N 1 0 305.353 2.200 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000374272515 227129347 /nfs/dbraw/zinc/12/93/47/227129347.db2.gz QYMURUAGVNRRPQ-YOEHRIQHSA-N 1 0 307.390 2.219 20 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CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001330342931 1149096194 /nfs/dbraw/zinc/09/61/94/1149096194.db2.gz LKQZXOIMIYAPDU-KRWDZBQOSA-N 1 0 317.477 2.222 20 10 DECDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@@H]1C1CC1 ZINC000368765340 534176445 /nfs/dbraw/zinc/17/64/45/534176445.db2.gz NTYNHWKVFAJKPS-IAGOWNOFSA-N 1 0 305.374 2.416 20 10 DECDRO CN(C)c1ccc(/C=C/CN2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000835027537 649868664 /nfs/dbraw/zinc/86/86/64/649868664.db2.gz MWOCFFOUZMLISB-AATRIKPKSA-N 1 0 317.477 2.154 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000835035324 649869421 /nfs/dbraw/zinc/86/94/21/649869421.db2.gz AQBVOBUUQVEQHJ-APHBUQMISA-N 1 0 311.433 2.270 20 10 DECDRO CC(=O)N1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835033068 649869627 /nfs/dbraw/zinc/86/96/27/649869627.db2.gz BUHYLAYKJXCENX-SNAWJCMRSA-N 1 0 301.434 2.366 20 10 DECDRO CCOCc1cc(C[NH2+]CC2(C(=O)OC)CC2)ccc1OC ZINC000188680689 520185012 /nfs/dbraw/zinc/18/50/12/520185012.db2.gz 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CN(C)c1ccc(/C=C/C[NH2+]CC2(CO)CCOCC2)cc1 ZINC000835040649 649870436 /nfs/dbraw/zinc/87/04/36/649870436.db2.gz FDQGGEVSSJPVSI-ONEGZZNKSA-N 1 0 304.434 2.145 20 10 DECDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000835053327 649872465 /nfs/dbraw/zinc/87/24/65/649872465.db2.gz VPKLWFXJEHVXQL-XHPSBEMXSA-N 1 0 301.434 2.366 20 10 DECDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000835071774 649874802 /nfs/dbraw/zinc/87/48/02/649874802.db2.gz VAHDOXXQODHLDG-NSHDSACASA-N 1 0 303.337 2.352 20 10 DECDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000835073429 649875545 /nfs/dbraw/zinc/87/55/45/649875545.db2.gz AORUGYYLNKHAED-UHFFFAOYSA-N 1 0 308.422 2.236 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c(O)c1OC ZINC000892739502 625532395 /nfs/dbraw/zinc/53/23/95/625532395.db2.gz HPQJJCRCDBBNNN-AWEZNQCLSA-N 1 0 321.348 2.372 20 10 DECDRO CC[C@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969585746 622830068 /nfs/dbraw/zinc/83/00/68/622830068.db2.gz 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CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000128528859 625179699 /nfs/dbraw/zinc/17/96/99/625179699.db2.gz NAMKRQPZWMZIEH-KRWDZBQOSA-N 1 0 315.461 2.491 20 10 DECDRO CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180595074 625190074 /nfs/dbraw/zinc/19/00/74/625190074.db2.gz RBCVPSHIDQMXAS-CFNZNRNTSA-N 1 0 316.357 2.123 20 10 DECDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000892612687 625195161 /nfs/dbraw/zinc/19/51/61/625195161.db2.gz LVWCIJAWWRMAML-HNNXBMFYSA-N 1 0 324.490 2.381 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892475673 625820816 /nfs/dbraw/zinc/82/08/16/625820816.db2.gz KWRJBKNUHUGFEC-CVEARBPZSA-N 1 0 308.397 2.476 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000892475329 625823674 /nfs/dbraw/zinc/82/36/74/625823674.db2.gz WDGKOZVAQDPFJA-UHFFFAOYSA-N 1 0 316.449 2.260 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892497089 625899071 /nfs/dbraw/zinc/89/90/71/625899071.db2.gz VUVRQVLNCIMBBY-AWEZNQCLSA-N 1 0 305.422 2.312 20 10 DECDRO COC1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840937406 634821604 /nfs/dbraw/zinc/82/16/04/634821604.db2.gz SOVVWJFHTUEGAB-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c(O)c1OC ZINC000893409500 633511120 /nfs/dbraw/zinc/51/11/20/633511120.db2.gz RSPREDCOVPJCRF-TZMCWYRMSA-N 1 0 309.406 2.392 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCN(CCOC(C)C)CC2)c1O ZINC000894044714 636098178 /nfs/dbraw/zinc/09/81/78/636098178.db2.gz WQMGURHPALZSAC-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000837380536 650192520 /nfs/dbraw/zinc/19/25/20/650192520.db2.gz QQVDGBKLJRZZIM-MRXNPFEDSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)O1 ZINC000840964699 635818211 /nfs/dbraw/zinc/81/82/11/635818211.db2.gz VBIDQTRVQMXXNU-HLLBOEOZSA-N 1 0 304.434 2.426 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000840974292 635979435 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COC(=O)c1c(C[NH2+]C[C@@H]2CCCO2)c2cc(F)ccc2n1C ZINC000894146221 636295948 /nfs/dbraw/zinc/29/59/48/636295948.db2.gz QEKYLIYRLGEWRC-LBPRGKRZSA-N 1 0 320.364 2.373 20 10 DECDRO CCOC(=O)c1ncc(C[NH2+]Cc2ccc(OC)cc2O)s1 ZINC000894185628 636398565 /nfs/dbraw/zinc/39/85/65/636398565.db2.gz QUABMJTWELUYAS-UHFFFAOYSA-N 1 0 322.386 2.324 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCc3nnc(C)o3)CC2)cc1 ZINC000929315536 636400015 /nfs/dbraw/zinc/40/00/15/636400015.db2.gz LMPXNOUUGPTGDI-UHFFFAOYSA-N 1 0 316.405 2.141 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c(O)c1 ZINC000894186449 636400225 /nfs/dbraw/zinc/40/02/25/636400225.db2.gz WZUAYDWDVOYFAD-UONOGXRCSA-N 1 0 311.353 2.124 20 10 DECDRO CCOCc1cc(C[NH2+]CC2CC3(C2)OCCO3)ccc1OC ZINC000922797335 636408885 /nfs/dbraw/zinc/40/88/85/636408885.db2.gz DIRIKCQBNHHNQN-UHFFFAOYSA-N 1 0 321.417 2.474 20 10 DECDRO Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C ZINC000922848617 636440050 /nfs/dbraw/zinc/44/00/50/636440050.db2.gz JXLAPUCZUVILHZ-GOOCMWNKSA-N 1 0 309.431 2.207 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1O ZINC000894564918 637108731 /nfs/dbraw/zinc/10/87/31/637108731.db2.gz BFZGNYLOJHVVSM-OAHLLOKOSA-N 1 0 322.449 2.300 20 10 DECDRO COc1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c(O)c1OC ZINC000894722876 637185602 /nfs/dbraw/zinc/18/56/02/637185602.db2.gz DOOCYQIWCYSDDQ-ZBFHGGJFSA-N 1 0 321.417 2.296 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCS(=O)CC1 ZINC000894939614 637340163 /nfs/dbraw/zinc/34/01/63/637340163.db2.gz MRKUDZSVCQBOEW-HXJYWVFZSA-N 1 0 308.491 2.493 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000894991686 637359113 /nfs/dbraw/zinc/35/91/13/637359113.db2.gz JNQNNQUKPXDZNX-UHFFFAOYSA-N 1 0 315.435 2.012 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCS(=O)CC3)C2)cc1 ZINC000895006602 637365911 /nfs/dbraw/zinc/36/59/11/637365911.db2.gz SHVIJFABEKJIQZ-CLRXMSQOSA-N 1 0 322.474 2.022 20 10 DECDRO CC[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OC ZINC000895120824 637599066 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Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1Cl ZINC000895716613 638160562 /nfs/dbraw/zinc/16/05/62/638160562.db2.gz KBBRCANBARYAJE-CYBMUJFWSA-N 1 0 308.809 2.455 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000744448519 638222433 /nfs/dbraw/zinc/22/24/33/638222433.db2.gz KVSFYRZFUXYFHU-KRWDZBQOSA-N 1 0 310.413 2.423 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000745854684 638294247 /nfs/dbraw/zinc/29/42/47/638294247.db2.gz NBWFKEQTCJPPSQ-FRRDWIJNSA-N 1 0 321.421 2.244 20 10 DECDRO [NH3+][C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000841050632 650414992 /nfs/dbraw/zinc/41/49/92/650414992.db2.gz JMKYJHRPGCFXMU-OAHLLOKOSA-N 1 0 318.421 2.412 20 10 DECDRO COc1ccc(N2CC[NH+](CC3(O)CCCC3)CC2)cc1F ZINC000747657694 638460749 /nfs/dbraw/zinc/46/07/49/638460749.db2.gz RAMIAZRETXKMDV-UHFFFAOYSA-N 1 0 308.397 2.261 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000896576567 638590789 /nfs/dbraw/zinc/59/07/89/638590789.db2.gz BVFZDHFWGNGEIR-HNNXBMFYSA-N 1 0 304.434 2.259 20 10 DECDRO CC1(O)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000749291629 638632921 /nfs/dbraw/zinc/63/29/21/638632921.db2.gz NVOPHNUWHLZOEL-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO CO[C@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000320515155 639088694 /nfs/dbraw/zinc/08/86/94/639088694.db2.gz GNHMRXZPWWNUJH-GOSISDBHSA-N 1 0 304.434 2.428 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897017544 639128405 /nfs/dbraw/zinc/12/84/05/639128405.db2.gz ANIOQINPVIFLGK-KRWDZBQOSA-N 1 0 317.433 2.381 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000897238619 639268982 /nfs/dbraw/zinc/26/89/82/639268982.db2.gz SKYDJDZWDSBJIT-UHFFFAOYSA-N 1 0 306.387 2.220 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CC2)ccc1N1CCCCC1 ZINC000753851266 639349207 /nfs/dbraw/zinc/34/92/07/639349207.db2.gz TYHNQPYYIFZNDW-UHFFFAOYSA-N 1 0 305.378 2.200 20 10 DECDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C1 ZINC000754884049 639489526 /nfs/dbraw/zinc/48/95/26/639489526.db2.gz VYQYNIWGGHYUFK-INIZCTEOSA-N 1 0 312.417 2.006 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(C(N)=O)cc2)c1 ZINC000756478109 639665029 /nfs/dbraw/zinc/66/50/29/639665029.db2.gz FLRSKFFWSPMIHW-GFCCVEGCSA-N 1 0 314.385 2.393 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756659215 639683564 /nfs/dbraw/zinc/68/35/64/639683564.db2.gz PMGIUZZVYACBAE-HOSYDEDBSA-N 1 0 315.410 2.492 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000756789672 639694754 /nfs/dbraw/zinc/69/47/54/639694754.db2.gz HYKDEIRMWDEPJC-NSHDSACASA-N 1 0 302.378 2.108 20 10 DECDRO CCN(CC(=O)NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000756808032 639696408 /nfs/dbraw/zinc/69/64/08/639696408.db2.gz DDDWIHHDZUMHMX-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1 ZINC000841717974 650550501 /nfs/dbraw/zinc/55/05/01/650550501.db2.gz OYDJGVDDQABYEE-CABCVRRESA-N 1 0 318.465 2.425 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000841718884 650551117 /nfs/dbraw/zinc/55/11/17/650551117.db2.gz XUNFCCKRFYZXST-OAHLLOKOSA-N 1 0 304.438 2.166 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759678 650558437 /nfs/dbraw/zinc/55/84/37/650558437.db2.gz HILDGRQNILICEG-DOMZBBRYSA-N 1 0 322.428 2.303 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841757870 650557838 /nfs/dbraw/zinc/55/78/38/650557838.db2.gz BKSDUNPVOLZKFL-UHFFFAOYSA-N 1 0 318.465 2.386 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000760552029 640205539 /nfs/dbraw/zinc/20/55/39/640205539.db2.gz RGRGBBOCFVKBKS-OAHLLOKOSA-N 1 0 303.406 2.045 20 10 DECDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987585458 640229292 /nfs/dbraw/zinc/22/92/92/640229292.db2.gz PCQGHRVBBKIVAA-BXUZGUMPSA-N 1 0 317.393 2.450 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)cc1C ZINC000841826174 650572519 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ZINC000897524833 640561400 /nfs/dbraw/zinc/56/14/00/640561400.db2.gz FKLKUNVXDOYEBU-MRXNPFEDSA-N 1 0 314.437 2.269 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841958826 650612565 /nfs/dbraw/zinc/61/25/65/650612565.db2.gz TWYOLUWUILYVKI-RYUDHWBXSA-N 1 0 309.410 2.279 20 10 DECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961974 650614317 /nfs/dbraw/zinc/61/43/17/650614317.db2.gz JAHJEXQVYHQSEA-WMLDXEAASA-N 1 0 316.449 2.080 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841988409 650620168 /nfs/dbraw/zinc/62/01/68/650620168.db2.gz QZHWMOWFDLEYGW-GOEBONIOSA-N 1 0 318.465 2.425 20 10 DECDRO C[C@H]([NH3+])CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000841984469 650619672 /nfs/dbraw/zinc/61/96/72/650619672.db2.gz KLBYWIJFTGAQKF-AWEZNQCLSA-N 1 0 304.438 2.166 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841996781 650621943 /nfs/dbraw/zinc/62/19/43/650621943.db2.gz XGZOZPIZPYEDFQ-HDJSIYSDSA-N 1 0 305.422 2.299 20 10 DECDRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000767727830 641015801 /nfs/dbraw/zinc/01/58/01/641015801.db2.gz NGSMSEPIVWXDJI-CQSZACIVSA-N 1 0 313.353 2.474 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1O ZINC000898152590 641038603 /nfs/dbraw/zinc/03/86/03/641038603.db2.gz LSDCBIGTYTVCKG-OCCSQVGLSA-N 1 0 314.389 2.207 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842010553 650627282 /nfs/dbraw/zinc/62/72/82/650627282.db2.gz MPVVABVCXQMNGZ-HOTGVXAUSA-N 1 0 318.465 2.412 20 10 DECDRO CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768449619 641083486 /nfs/dbraw/zinc/08/34/86/641083486.db2.gz WXAXSRZFGMSWTQ-MLGOLLRUSA-N 1 0 307.390 2.067 20 10 DECDRO CCOc1ccc(C[N@H+](CCO)Cc2cccnc2)c(O)c1 ZINC000769329973 641218647 /nfs/dbraw/zinc/21/86/47/641218647.db2.gz NBQHAVRFYNDJCU-UHFFFAOYSA-N 1 0 302.374 2.180 20 10 DECDRO CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989837483 641246861 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C[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000774255967 641882815 /nfs/dbraw/zinc/88/28/15/641882815.db2.gz LUCSPRTUZUQVFQ-CYBMUJFWSA-N 1 0 320.506 2.372 20 10 DECDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000899098689 641939905 /nfs/dbraw/zinc/93/99/05/641939905.db2.gz RDISQGAMXJTZQY-CXAGYDPISA-N 1 0 318.465 2.453 20 10 DECDRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257057 642022201 /nfs/dbraw/zinc/02/22/01/642022201.db2.gz DZHJQGBLQTXWEN-HUUCEWRRSA-N 1 0 319.449 2.089 20 10 DECDRO Cc1cc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775653465 642073117 /nfs/dbraw/zinc/07/31/17/642073117.db2.gz HAQWFMNYDRKHAX-UHFFFAOYSA-N 1 0 314.433 2.367 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000775667950 642075223 /nfs/dbraw/zinc/07/52/23/642075223.db2.gz OUOMGHFVDQVHCU-CQSZACIVSA-N 1 0 306.406 2.137 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000775701365 642080921 /nfs/dbraw/zinc/08/09/21/642080921.db2.gz LDBOKOXXSIHXHE-AWEZNQCLSA-N 1 0 318.417 2.235 20 10 DECDRO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776135462 642134255 /nfs/dbraw/zinc/13/42/55/642134255.db2.gz LULGSNHIQOWEIS-CQSZACIVSA-N 1 0 318.465 2.455 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000776178046 642139935 /nfs/dbraw/zinc/13/99/35/642139935.db2.gz ZBMZITKQRBNOKH-LBPRGKRZSA-N 1 0 300.196 2.324 20 10 DECDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000776494263 642178226 /nfs/dbraw/zinc/17/82/26/642178226.db2.gz CQTWVDXQAQCBOR-GOSISDBHSA-N 1 0 318.461 2.410 20 10 DECDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1C ZINC000776520771 642180512 /nfs/dbraw/zinc/18/05/12/642180512.db2.gz QDXFQBNJIPETCF-QGZVFWFLSA-N 1 0 309.406 2.186 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000776867887 642214435 /nfs/dbraw/zinc/21/44/35/642214435.db2.gz NXMCSKHMDVPYLQ-DIOULYMOSA-N 1 0 313.369 2.002 20 10 DECDRO COCCN(CC[C@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000842473477 650748385 /nfs/dbraw/zinc/74/83/85/650748385.db2.gz VJRCKYMDEGHZSO-CQSZACIVSA-N 1 0 308.422 2.156 20 10 DECDRO C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@@H+]1CCCC[C@H]1C ZINC000779497680 642505661 /nfs/dbraw/zinc/50/56/61/642505661.db2.gz OJRPTCALXIBMPW-ZAACICEASA-N 1 0 318.417 2.490 20 10 DECDRO CC(C)N1CCN(Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000779884575 642554531 /nfs/dbraw/zinc/55/45/31/642554531.db2.gz YRBCUKPLCJTWKI-UHFFFAOYSA-N 1 0 302.418 2.324 20 10 DECDRO Cc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c(O)c1O ZINC000780939873 642692650 /nfs/dbraw/zinc/69/26/50/642692650.db2.gz SFGPGJXQLORQKB-UHFFFAOYSA-N 1 0 310.313 2.239 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(O)c1 ZINC000782545987 642895286 /nfs/dbraw/zinc/89/52/86/642895286.db2.gz ZFMBYWYLZBLMOM-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO CSCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000902393524 643028249 /nfs/dbraw/zinc/02/82/49/643028249.db2.gz OVUMHWUJTCRGCG-HNNXBMFYSA-N 1 0 309.431 2.393 20 10 DECDRO Cc1cc(Cl)cc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000783715721 643041248 /nfs/dbraw/zinc/04/12/48/643041248.db2.gz SVNLLHKZZPNZCE-UHFFFAOYSA-N 1 0 312.841 2.243 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC000902512751 643056467 /nfs/dbraw/zinc/05/64/67/643056467.db2.gz JHAQPZOSRMXRJZ-OAHLLOKOSA-N 1 0 304.390 2.329 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842721252 650811531 /nfs/dbraw/zinc/81/15/31/650811531.db2.gz QZBYTKUUGCHZRS-CYBMUJFWSA-N 1 0 306.406 2.280 20 10 DECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784640504 643160265 /nfs/dbraw/zinc/16/02/65/643160265.db2.gz PNVOVFVNDMQQOX-SUMWQHHRSA-N 1 0 308.397 2.319 20 10 DECDRO OCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1F ZINC000842764723 650819917 /nfs/dbraw/zinc/81/99/17/650819917.db2.gz USSBRYRYNOSBOV-AWEZNQCLSA-N 1 0 319.332 2.473 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000903396006 643333416 /nfs/dbraw/zinc/33/34/16/643333416.db2.gz KYENFOKYNZJBFG-STQMWFEESA-N 1 0 314.389 2.126 20 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/nfs/dbraw/zinc/81/32/30/643813230.db2.gz ZDLFWGGRKXEQGZ-LBPRGKRZSA-N 1 0 324.396 2.479 20 10 DECDRO C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C[NH3+] ZINC000843052884 650878571 /nfs/dbraw/zinc/87/85/71/650878571.db2.gz XNXZHEMWBXXVMN-RDTXWAMCSA-N 1 0 321.440 2.222 20 10 DECDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843058025 650880342 /nfs/dbraw/zinc/88/03/42/650880342.db2.gz LIEMCEFMIQTOCA-SFHVURJKSA-N 1 0 303.450 2.097 20 10 DECDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657762 644455118 /nfs/dbraw/zinc/45/51/18/644455118.db2.gz HNFPVKWHLGQVCL-ACJLOTCBSA-N 1 0 303.402 2.261 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)cc1C ZINC000794710200 644464340 /nfs/dbraw/zinc/46/43/40/644464340.db2.gz YDJZACCNARNYCM-CXAGYDPISA-N 1 0 307.390 2.089 20 10 DECDRO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(C)cc1O ZINC000794814678 644480524 /nfs/dbraw/zinc/48/05/24/644480524.db2.gz MQKMSHFYQBVRBM-CYBMUJFWSA-N 1 0 302.378 2.063 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+]1CCCCC1 ZINC000910952803 645593606 /nfs/dbraw/zinc/59/36/06/645593606.db2.gz ZTKIKMOVKPSBRH-INIZCTEOSA-N 1 0 306.406 2.225 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000803089822 645604676 /nfs/dbraw/zinc/60/46/76/645604676.db2.gz KDPQKZATOBIOTK-LLVKDONJSA-N 1 0 311.341 2.107 20 10 DECDRO Cc1cnc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000911667938 645770456 /nfs/dbraw/zinc/77/04/56/645770456.db2.gz UTQQLYXBPQPVQQ-INIZCTEOSA-N 1 0 312.417 2.194 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000806663089 645859557 /nfs/dbraw/zinc/85/95/57/645859557.db2.gz LZDIFDCLEGXNSJ-SKDRFNHKSA-N 1 0 300.399 2.050 20 10 DECDRO CCc1nocc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000840089516 645932097 /nfs/dbraw/zinc/93/20/97/645932097.db2.gz OGWFNLZTNTWZGQ-OAHLLOKOSA-N 1 0 304.346 2.000 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000808206562 646056433 /nfs/dbraw/zinc/05/64/33/646056433.db2.gz CSEUKSJIXRNYLI-AWEZNQCLSA-N 1 0 318.417 2.154 20 10 DECDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840147670 646149408 /nfs/dbraw/zinc/14/94/08/646149408.db2.gz UKWFZACYMNBOOA-INIZCTEOSA-N 1 0 317.433 2.117 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809709270 646266948 /nfs/dbraw/zinc/26/69/48/646266948.db2.gz OSNAMXKBCTVOGY-CQSZACIVSA-N 1 0 322.405 2.454 20 10 DECDRO COC(=O)c1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000809729605 646269675 /nfs/dbraw/zinc/26/96/75/646269675.db2.gz LEIFEKNGZOPNGT-UHFFFAOYSA-N 1 0 315.325 2.197 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCCOCC2)cc1F ZINC000809751041 646276461 /nfs/dbraw/zinc/27/64/61/646276461.db2.gz NSSYCHRCNMSWNX-UHFFFAOYSA-N 1 0 323.456 2.484 20 10 DECDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809767611 646281541 /nfs/dbraw/zinc/28/15/41/646281541.db2.gz PFHXRHGVRNNXJA-GOSISDBHSA-N 1 0 306.450 2.362 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(C)c3O)[C@@H]2C1 ZINC000809788280 646283257 /nfs/dbraw/zinc/28/32/57/646283257.db2.gz PJWNMZYXQZXXAA-GVDBMIGSSA-N 1 0 302.418 2.437 20 10 DECDRO C[NH+](C)C1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000913394070 646345269 /nfs/dbraw/zinc/34/52/69/646345269.db2.gz LXTPQABLPIIAID-FNORWQNLSA-N 1 0 304.390 2.054 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000164407525 646442699 /nfs/dbraw/zinc/44/26/99/646442699.db2.gz XBPILDXMSNVKAM-INIZCTEOSA-N 1 0 304.434 2.163 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC000812776117 646693973 /nfs/dbraw/zinc/69/39/73/646693973.db2.gz RNHYVCAUVRTPDC-LBPRGKRZSA-N 1 0 301.333 2.240 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)N(C)C)CC2)c1 ZINC000813330668 646757062 /nfs/dbraw/zinc/75/70/62/646757062.db2.gz CNAJUYSYMNXGFY-GFCCVEGCSA-N 1 0 321.421 2.197 20 10 DECDRO Cc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1N(C)C ZINC000815098124 646968434 /nfs/dbraw/zinc/96/84/34/646968434.db2.gz BEUDWCGKRIGFTE-MRXNPFEDSA-N 1 0 319.493 2.338 20 10 DECDRO CCN(C)c1ccc(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)cc1 ZINC000815139574 646977431 /nfs/dbraw/zinc/97/74/31/646977431.db2.gz KQUWQOWISQNJIC-RBUKOAKNSA-N 1 0 317.477 2.438 20 10 DECDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816558388 647152638 /nfs/dbraw/zinc/15/26/38/647152638.db2.gz WZIYZHTZNKDRTR-CQSZACIVSA-N 1 0 305.399 2.212 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1n1cccn1 ZINC000816673043 647167149 /nfs/dbraw/zinc/16/71/49/647167149.db2.gz QDICTEXSAOYTHF-USXIJHARSA-N 1 0 317.389 2.106 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000817364963 647277015 /nfs/dbraw/zinc/27/70/15/647277015.db2.gz IIEMKNYVRADZDG-CQSZACIVSA-N 1 0 320.433 2.409 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1F ZINC000817412394 647289527 /nfs/dbraw/zinc/28/95/27/647289527.db2.gz KFJZMNDGLYRRTG-MQMHXKEQSA-N 1 0 307.413 2.273 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925408552 647298927 /nfs/dbraw/zinc/29/89/27/647298927.db2.gz ZYYQSLNNJJUKLU-KRWDZBQOSA-N 1 0 318.465 2.377 20 10 DECDRO Fc1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000914433279 647356061 /nfs/dbraw/zinc/35/60/61/647356061.db2.gz MSPIQGKVMVEFHV-WBVHZDCISA-N 1 0 320.408 2.177 20 10 DECDRO Oc1cccc2c1[C@H](Nc1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC000817951373 647391887 /nfs/dbraw/zinc/39/18/87/647391887.db2.gz DWLBVNXYLVOQNB-OAHLLOKOSA-N 1 0 310.401 2.296 20 10 DECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000817958394 647393420 /nfs/dbraw/zinc/39/34/20/647393420.db2.gz VGWFHZNDSFCFLR-GFCCVEGCSA-N 1 0 311.385 2.493 20 10 DECDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(F)c1[O-] ZINC000817977848 647399031 /nfs/dbraw/zinc/39/90/31/647399031.db2.gz QOYWWTRUBYFACA-IGYIBNOWSA-N 1 0 315.186 2.162 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000818222229 647436198 /nfs/dbraw/zinc/43/61/98/647436198.db2.gz RNZMXZFNCLRJBQ-OAHLLOKOSA-N 1 0 302.418 2.458 20 10 DECDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818985263 647557979 /nfs/dbraw/zinc/55/79/79/647557979.db2.gz QCRGCZDTJDMIEO-KRWDZBQOSA-N 1 0 306.450 2.335 20 10 DECDRO C[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002744 647562612 /nfs/dbraw/zinc/56/26/12/647562612.db2.gz OJMKTIRXMAQFSF-NSHDSACASA-N 1 0 300.349 2.227 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C1CC1 ZINC000819756547 647720803 /nfs/dbraw/zinc/72/08/03/647720803.db2.gz XYFSTXFYZDOCBH-ZDUSSCGKSA-N 1 0 309.406 2.121 20 10 DECDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820022148 647766039 /nfs/dbraw/zinc/76/60/39/647766039.db2.gz CUWROZWGFJLGFC-LBPRGKRZSA-N 1 0 317.393 2.263 20 10 DECDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCCC1 ZINC000918120000 648057172 /nfs/dbraw/zinc/05/71/72/648057172.db2.gz QHRASGZFINVFBJ-AWEZNQCLSA-N 1 0 305.422 2.408 20 10 DECDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823389756 648409554 /nfs/dbraw/zinc/40/95/54/648409554.db2.gz BYDOFOCXZPWGBG-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000823516110 648437254 /nfs/dbraw/zinc/43/72/54/648437254.db2.gz YJQSIRBEVZTWSN-HUUCEWRRSA-N 1 0 303.450 2.489 20 10 DECDRO CCOC(=O)CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000823576371 648445317 /nfs/dbraw/zinc/44/53/17/648445317.db2.gz NVWXXSRRKRSWAA-INIZCTEOSA-N 1 0 320.433 2.242 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823664361 648464656 /nfs/dbraw/zinc/46/46/56/648464656.db2.gz VTEZKCMVZLPXMG-HOTGVXAUSA-N 1 0 317.477 2.450 20 10 DECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000824702566 648638474 /nfs/dbraw/zinc/63/84/74/648638474.db2.gz NVOJOLAQBSGSTM-NEPJUHHUSA-N 1 0 313.781 2.486 20 10 DECDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(OC)c(OC)cc1O ZINC000825005457 648683704 /nfs/dbraw/zinc/68/37/04/648683704.db2.gz LJWCQRAMZMDTFN-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000825045065 648691714 /nfs/dbraw/zinc/69/17/14/648691714.db2.gz BKLQXEDNYGIMIV-CRAIPNDOSA-N 1 0 314.433 2.496 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000825045027 648691736 /nfs/dbraw/zinc/69/17/36/648691736.db2.gz ATQQELCHBDPRPN-ZBFHGGJFSA-N 1 0 301.390 2.444 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825068002 648697210 /nfs/dbraw/zinc/69/72/10/648697210.db2.gz IJNZCHBKVSONHB-JTQLQIEISA-N 1 0 317.355 2.386 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124250 648707560 /nfs/dbraw/zinc/70/75/60/648707560.db2.gz KXSWGNWMEWRGQW-GWCFXTLKSA-N 1 0 305.296 2.146 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825337359 648745110 /nfs/dbraw/zinc/74/51/10/648745110.db2.gz KSDWKXGERQFEFB-GFCCVEGCSA-N 1 0 311.813 2.247 20 10 DECDRO COc1c(O)c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000825338380 648745402 /nfs/dbraw/zinc/74/54/02/648745402.db2.gz PQPATSBGHIQISO-CYBMUJFWSA-N 1 0 323.393 2.224 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000826999915 648959451 /nfs/dbraw/zinc/95/94/51/648959451.db2.gz DLYGWDIPUNVVMN-LIMHQNJXSA-N 1 0 315.417 2.292 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827586264 649054064 /nfs/dbraw/zinc/05/40/64/649054064.db2.gz VWMAYAQDOLWHCP-SECBINFHSA-N 1 0 300.196 2.466 20 10 DECDRO Cc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)ccc1N1CCCCC1 ZINC000828511298 649189148 /nfs/dbraw/zinc/18/91/48/649189148.db2.gz MCAQEZFZXJZLHD-QGZVFWFLSA-N 1 0 301.434 2.306 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000828667924 649207929 /nfs/dbraw/zinc/20/79/29/649207929.db2.gz WNSBWYUQAKIVRO-FUDCBSFHSA-N 1 0 318.417 2.499 20 10 DECDRO [NH3+]CCCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000831133365 649542352 /nfs/dbraw/zinc/54/23/52/649542352.db2.gz VXHIUEMFIJPKKI-UHFFFAOYSA-N 1 0 316.449 2.381 20 10 DECDRO CC(C)(C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330597 649546139 /nfs/dbraw/zinc/54/61/39/649546139.db2.gz DBQHTLKKECYYHN-UHFFFAOYSA-N 1 0 310.463 2.057 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831202564 649552968 /nfs/dbraw/zinc/55/29/68/649552968.db2.gz IRTIFSQMRJINSO-ZIAGYGMSSA-N 1 0 306.454 2.410 20 10 DECDRO CCO[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000832266939 649690389 /nfs/dbraw/zinc/69/03/89/649690389.db2.gz LDTPAVRUNRVOIK-DLBZAZTESA-N 1 0 321.465 2.320 20 10 DECDRO CCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCOCC1 ZINC000832267042 649690671 /nfs/dbraw/zinc/69/06/71/649690671.db2.gz LUWOUMNMUCUMLC-INIZCTEOSA-N 1 0 319.449 2.075 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccsc2)cc1 ZINC000832293084 649693372 /nfs/dbraw/zinc/69/33/72/649693372.db2.gz PBLQRYUWLIOIHQ-HNNXBMFYSA-N 1 0 303.431 2.173 20 10 DECDRO CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834496956 649807312 /nfs/dbraw/zinc/80/73/12/649807312.db2.gz SXVMDSIPWWYMRF-HZPDHXFCSA-N 1 0 304.434 2.326 20 10 DECDRO Cc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000844192681 651089510 /nfs/dbraw/zinc/08/95/10/651089510.db2.gz KDKBVNBMPRDDIU-INIZCTEOSA-N 1 0 324.428 2.456 20 10 DECDRO Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000844192682 651089561 /nfs/dbraw/zinc/08/95/61/651089561.db2.gz KDKBVNBMPRDDIU-MRXNPFEDSA-N 1 0 324.428 2.456 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844314263 651110524 /nfs/dbraw/zinc/11/05/24/651110524.db2.gz YXBQNOMXKCALHJ-MFKMUULPSA-N 1 0 306.362 2.035 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844471695 651133147 /nfs/dbraw/zinc/13/31/47/651133147.db2.gz RBIUUPXPNQEHBD-MRXNPFEDSA-N 1 0 323.387 2.100 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C1CC1 ZINC000844478747 651134452 /nfs/dbraw/zinc/13/44/52/651134452.db2.gz JKIZWRBHSIRLDH-DLBZAZTESA-N 1 0 302.418 2.384 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](CC)CO1 ZINC000844722229 651160455 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COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172363 651312713 /nfs/dbraw/zinc/31/27/13/651312713.db2.gz LPRIDGXNZIHPAW-AAEUAGOBSA-N 1 0 306.406 2.451 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000846175362 651313415 /nfs/dbraw/zinc/31/34/15/651313415.db2.gz YTPXWBIASMBRKT-NSHDSACASA-N 1 0 315.435 2.265 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000846664184 651343884 /nfs/dbraw/zinc/34/38/84/651343884.db2.gz WKGLYIBNGVHVCR-MRXNPFEDSA-N 1 0 313.401 2.196 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000846697933 651346790 /nfs/dbraw/zinc/34/67/90/651346790.db2.gz ZDSDXUFHPDSVPX-RHSMWYFYSA-N 1 0 321.465 2.209 20 10 DECDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846989637 651367310 /nfs/dbraw/zinc/36/73/10/651367310.db2.gz SYEPIEFALBXKPN-OWNNVSBGSA-N 1 0 304.390 2.054 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)ccc21 ZINC000848412616 651457075 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ZINC000848919657 651561501 /nfs/dbraw/zinc/56/15/01/651561501.db2.gz PBZUFSIAGIXTIA-UHFFFAOYSA-N 1 0 300.406 2.458 20 10 DECDRO COc1cc(C[NH2+]CCCn2cncn2)c(O)c(C(C)(C)C)c1 ZINC000850023063 651805943 /nfs/dbraw/zinc/80/59/43/651805943.db2.gz YTRPZSXYYCPFTA-UHFFFAOYSA-N 1 0 318.421 2.470 20 10 DECDRO COc1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850284243 651887467 /nfs/dbraw/zinc/88/74/67/651887467.db2.gz BKHQOITYLFYSOP-ABAIWWIYSA-N 1 0 320.433 2.313 20 10 DECDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850341741 651904139 /nfs/dbraw/zinc/90/41/39/651904139.db2.gz AEKMCVYREHZXGN-SFHVURJKSA-N 1 0 317.477 2.486 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000850353960 651909220 /nfs/dbraw/zinc/90/92/20/651909220.db2.gz QYOZQTABVXTUHU-UKPHBRMFSA-N 1 0 323.433 2.447 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000850376941 651915434 /nfs/dbraw/zinc/91/54/34/651915434.db2.gz OZCXBEBNKBILHG-UHFFFAOYSA-N 1 0 323.458 2.459 20 10 DECDRO COC(=O)N(C)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850390757 651918630 /nfs/dbraw/zinc/91/86/30/651918630.db2.gz RGWMNTMOFXXARH-UHFFFAOYSA-N 1 0 324.421 2.486 20 10 DECDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850411529 651922682 /nfs/dbraw/zinc/92/26/82/651922682.db2.gz DWBVGHAIIQIYKY-BLLLJJGKSA-N 1 0 315.369 2.375 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cn[nH]c1 ZINC000850567415 651953622 /nfs/dbraw/zinc/95/36/22/651953622.db2.gz BQMXWKLGDJUART-ZDUSSCGKSA-N 1 0 300.406 2.222 20 10 DECDRO O=C1N(CC[NH2+][C@H]2CCc3cccc(O)c32)C[C@H]2CCCCN12 ZINC000850560368 651954019 /nfs/dbraw/zinc/95/40/19/651954019.db2.gz DPOFWDPIJZGCTM-CABCVRRESA-N 1 0 315.417 2.259 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000850567392 651954154 /nfs/dbraw/zinc/95/41/54/651954154.db2.gz BIGBRSCJDVIBFG-KSSFIOAISA-N 1 0 304.434 2.305 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850569123 651954859 /nfs/dbraw/zinc/95/48/59/651954859.db2.gz UVOPJWXSBXRNCK-MRXNPFEDSA-N 1 0 316.445 2.449 20 10 DECDRO C[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1O ZINC000109772523 652072412 /nfs/dbraw/zinc/07/24/12/652072412.db2.gz QOFNORFJENKISR-UHFFFAOYSA-N 1 0 316.376 2.322 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851682860 652205713 /nfs/dbraw/zinc/20/57/13/652205713.db2.gz YBIPHLGYKXJPHR-MRXNPFEDSA-N 1 0 306.454 2.267 20 10 DECDRO OCC[C@@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858145019 652264803 /nfs/dbraw/zinc/26/48/03/652264803.db2.gz XICNEZKGMJKUKR-GFCCVEGCSA-N 1 0 300.196 2.405 20 10 DECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149605 652266905 /nfs/dbraw/zinc/26/69/05/652266905.db2.gz PNWDGZIYXCMTNJ-SBKAZYGRSA-N 1 0 304.406 2.278 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851899188 652274078 /nfs/dbraw/zinc/27/40/78/652274078.db2.gz YWRBRPUGWKJYNP-YOEHRIQHSA-N 1 0 320.433 2.325 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1F ZINC000858184507 652274662 /nfs/dbraw/zinc/27/46/62/652274662.db2.gz RIRSKILHTROIGC-LLVKDONJSA-N 1 0 323.387 2.131 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)c1 ZINC000851901532 652274885 /nfs/dbraw/zinc/27/48/85/652274885.db2.gz LLVMBDAGRZGPSW-SHUKQUCYSA-N 1 0 318.417 2.499 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000858226772 652283821 /nfs/dbraw/zinc/28/38/21/652283821.db2.gz PPCKKMSSSBIKCH-MSOLQXFVSA-N 1 0 304.434 2.306 20 10 DECDRO OCCOC1(C[NH2+]Cc2ccccc2O)CCC(F)(F)CC1 ZINC000858236177 652286347 /nfs/dbraw/zinc/28/63/47/652286347.db2.gz CQZOHZHZTXRMAO-UHFFFAOYSA-N 1 0 315.360 2.439 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000858274979 652294900 /nfs/dbraw/zinc/29/49/00/652294900.db2.gz JZLMYPXFYUJXBM-HNNXBMFYSA-N 1 0 307.438 2.476 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000858311259 652302448 /nfs/dbraw/zinc/30/24/48/652302448.db2.gz HUQJUMDTNPMWHW-HUUCEWRRSA-N 1 0 305.422 2.373 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1F ZINC000858325324 652306668 /nfs/dbraw/zinc/30/66/68/652306668.db2.gz WEKAHTCYBYGYLZ-GFCCVEGCSA-N 1 0 311.401 2.170 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCO[C@@H]2CC2(F)F)cc1 ZINC000852210821 652364586 /nfs/dbraw/zinc/36/45/86/652364586.db2.gz BDASCNQMGPGYLZ-OAHLLOKOSA-N 1 0 314.376 2.487 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccccc1O ZINC000852603014 652427195 /nfs/dbraw/zinc/42/71/95/652427195.db2.gz QFWMFWYIJMVQPD-CQSZACIVSA-N 1 0 305.422 2.312 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000852680184 652438337 /nfs/dbraw/zinc/43/83/37/652438337.db2.gz NQBFDLHAZISCGG-MRXNPFEDSA-N 1 0 301.434 2.197 20 10 DECDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1C[NH2+]CCO1 ZINC000852751877 652449677 /nfs/dbraw/zinc/44/96/77/652449677.db2.gz JHTRKKONRQNTBY-NVXWUHKLSA-N 1 0 304.434 2.318 20 10 DECDRO C[C@H](Cc1ccco1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791766 652457733 /nfs/dbraw/zinc/45/77/33/652457733.db2.gz MAYZGXQGUYPDBF-CXAGYDPISA-N 1 0 315.417 2.340 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1F ZINC000852799335 652459041 /nfs/dbraw/zinc/45/90/41/652459041.db2.gz RQOFOUKVYGMOKZ-UHFFFAOYSA-N 1 0 313.376 2.425 20 10 DECDRO CCOc1ccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000852844771 652467915 /nfs/dbraw/zinc/46/79/15/652467915.db2.gz KOGYLGYHNOOKQB-GFCCVEGCSA-N 1 0 314.389 2.162 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H]3COCCO3)c2c1 ZINC000853560642 652568373 /nfs/dbraw/zinc/56/83/73/652568373.db2.gz XQRVGDVHPLGUEV-OAHLLOKOSA-N 1 0 317.385 2.401 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1C ZINC000853594030 652575681 /nfs/dbraw/zinc/57/56/81/652575681.db2.gz NSKUXOZGFNYAHZ-OAHLLOKOSA-N 1 0 302.418 2.453 20 10 DECDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000858580276 685561226 /nfs/dbraw/zinc/56/12/26/685561226.db2.gz MUUSPOSBDHGILU-NEPJUHHUSA-N 1 0 306.406 2.330 20 10 DECDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858585386 685563052 /nfs/dbraw/zinc/56/30/52/685563052.db2.gz GOWMAEKSCLLNNP-QEJZJMRPSA-N 1 0 308.397 2.490 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000858596608 685565315 /nfs/dbraw/zinc/56/53/15/685565315.db2.gz GXZQDDDLGVGENY-AWEZNQCLSA-N 1 0 305.422 2.373 20 10 DECDRO C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000047886483 683913695 /nfs/dbraw/zinc/91/36/95/683913695.db2.gz GPQJEPAQFIOOTP-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000085405139 684009132 /nfs/dbraw/zinc/00/91/32/684009132.db2.gz WFDVDKBMQUXLAI-LBPRGKRZSA-N 1 0 323.437 2.176 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000092660602 684044396 /nfs/dbraw/zinc/04/43/96/684044396.db2.gz GKTUEWNAMYRMST-ZDUSSCGKSA-N 1 0 306.406 2.268 20 10 DECDRO CC(C)[C@H](C(=O)NCCCSc1nccs1)[NH+](C)C ZINC000114374810 684062850 /nfs/dbraw/zinc/06/28/50/684062850.db2.gz AEYYKTCOVXCAIE-LLVKDONJSA-N 1 0 301.481 2.328 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000129857482 684183058 /nfs/dbraw/zinc/18/30/58/684183058.db2.gz XHIPBSPNKUGFKJ-MRXNPFEDSA-N 1 0 310.463 2.152 20 10 DECDRO CN1CCc2cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)ccc21 ZINC000130152930 684185610 /nfs/dbraw/zinc/18/56/10/684185610.db2.gz OCENSHXAUFUZLS-INIZCTEOSA-N 1 0 318.384 2.125 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000131666465 684201183 /nfs/dbraw/zinc/20/11/83/684201183.db2.gz WIYBRPSURUBAIZ-HNNXBMFYSA-N 1 0 318.417 2.424 20 10 DECDRO COc1ccc(N2CC[NH+](CCCCCNC(C)=O)CC2)cc1 ZINC000929152852 693907158 /nfs/dbraw/zinc/90/71/58/693907158.db2.gz GNEVGDILQJGFSG-UHFFFAOYSA-N 1 0 319.449 2.124 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(F)F)C[C@@H]2C)cc1C ZINC001054307193 693922136 /nfs/dbraw/zinc/92/21/36/693922136.db2.gz CPZREACHTGQGIY-AAEUAGOBSA-N 1 0 312.360 2.205 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000246485227 685131328 /nfs/dbraw/zinc/13/13/28/685131328.db2.gz JVJBIMPBFKPHFF-ZBFHGGJFSA-N 1 0 307.390 2.089 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000859353774 685712213 /nfs/dbraw/zinc/71/22/13/685712213.db2.gz LPWBFPHFBRDRPM-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000861562091 686145857 /nfs/dbraw/zinc/14/58/57/686145857.db2.gz SJRQRPJMAXKYFZ-DLBZAZTESA-N 1 0 318.465 2.473 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686222 686169580 /nfs/dbraw/zinc/16/95/80/686169580.db2.gz WEQMWZXMVXILOW-ZBFHGGJFSA-N 1 0 318.465 2.425 20 10 DECDRO O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000862026219 686225497 /nfs/dbraw/zinc/22/54/97/686225497.db2.gz IVMFBXCEGGKMNB-OAHLLOKOSA-N 1 0 311.385 2.183 20 10 DECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862310605 686276334 /nfs/dbraw/zinc/27/63/34/686276334.db2.gz ZRKWMKFNQQAHMB-ZJUUUORDSA-N 1 0 300.196 2.357 20 10 DECDRO COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646537 686539235 /nfs/dbraw/zinc/53/92/35/686539235.db2.gz LZGBDOHJURQUDS-ZYHUDNBSSA-N 1 0 318.339 2.360 20 10 DECDRO Cc1nnc(CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000929971110 694061595 /nfs/dbraw/zinc/06/15/95/694061595.db2.gz MAJYNUFPQKFVLE-OAHLLOKOSA-N 1 0 317.389 2.307 20 10 DECDRO COc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000865294603 687169634 /nfs/dbraw/zinc/16/96/34/687169634.db2.gz NMKIXACZRYJSAX-UHFFFAOYSA-N 1 0 312.417 2.454 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)OCO2 ZINC000865762918 687326525 /nfs/dbraw/zinc/32/65/25/687326525.db2.gz YQQRFGNSFMDLFL-PXAZEXFGSA-N 1 0 305.374 2.416 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2[nH]nc3c2COCC3)c1 ZINC000930216633 694114062 /nfs/dbraw/zinc/11/40/62/694114062.db2.gz MKNXFTLFPROZGX-JTQLQIEISA-N 1 0 303.362 2.047 20 10 DECDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(N)cc1 ZINC000868162999 687931188 /nfs/dbraw/zinc/93/11/88/687931188.db2.gz LOBYNNZOOWVCOX-UHFFFAOYSA-N 1 0 320.437 2.091 20 10 DECDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000930711900 694223490 /nfs/dbraw/zinc/22/34/90/694223490.db2.gz OYFQYGAGUOGKMU-KRWDZBQOSA-N 1 0 317.477 2.439 20 10 DECDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873045759 689147488 /nfs/dbraw/zinc/14/74/88/689147488.db2.gz GQUJBECENGMLBP-QGZVFWFLSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1Cn1cccn1 ZINC000873114502 689160577 /nfs/dbraw/zinc/16/05/77/689160577.db2.gz ISJLCSQXCFKPIN-PBHICJAKSA-N 1 0 315.417 2.455 20 10 DECDRO CCOc1cccc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873228634 689189655 /nfs/dbraw/zinc/18/96/55/689189655.db2.gz VCROOELIMHVLTA-NWDGAFQWSA-N 1 0 318.339 2.360 20 10 DECDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875092238 689570137 /nfs/dbraw/zinc/57/01/37/689570137.db2.gz PVECBCSZKTUCBD-KBPBESRZSA-N 1 0 301.390 2.044 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000876506606 689841997 /nfs/dbraw/zinc/84/19/97/689841997.db2.gz MJJDFBBENDIYQK-QGPMSJSTSA-N 1 0 301.434 2.449 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000876567553 689859594 /nfs/dbraw/zinc/85/95/94/689859594.db2.gz AITLFENHYZAAND-INIZCTEOSA-N 1 0 304.434 2.387 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000876583687 689865622 /nfs/dbraw/zinc/86/56/22/689865622.db2.gz NPSRWFWLIDBGHE-HNNXBMFYSA-N 1 0 302.418 2.439 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H](C)O ZINC000876697316 689906389 /nfs/dbraw/zinc/90/63/89/689906389.db2.gz SFFXLDRYNWKQGU-HNNXBMFYSA-N 1 0 306.450 2.239 20 10 DECDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000876734384 689920676 /nfs/dbraw/zinc/92/06/76/689920676.db2.gz FFCTYROYNUDNFY-GFCCVEGCSA-N 1 0 316.323 2.296 20 10 DECDRO Cc1cc(C[NH3+])oc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876738797 689922683 /nfs/dbraw/zinc/92/26/83/689922683.db2.gz AVRZOZURYGVYSR-UHFFFAOYSA-N 1 0 313.401 2.359 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000876742093 689923808 /nfs/dbraw/zinc/92/38/08/689923808.db2.gz VGANHYKOWMRNOJ-WBVHZDCISA-N 1 0 305.397 2.040 20 10 DECDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876930312 689975369 /nfs/dbraw/zinc/97/53/69/689975369.db2.gz VGZICNQPEVNJBR-HNNXBMFYSA-N 1 0 314.433 2.023 20 10 DECDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877040182 690004659 /nfs/dbraw/zinc/00/46/59/690004659.db2.gz UYWIOJOSJZYOPM-SFHVURJKSA-N 1 0 304.434 2.164 20 10 DECDRO OCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877092126 690016592 /nfs/dbraw/zinc/01/65/92/690016592.db2.gz VCASOYTUGNYQDA-UHFFFAOYSA-N 1 0 318.461 2.290 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCN3CCCCC3)cc2)CC1 ZINC000877145887 690029457 /nfs/dbraw/zinc/02/94/57/690029457.db2.gz RBQFAPGMFSPCOU-UHFFFAOYSA-N 1 0 317.477 2.223 20 10 DECDRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000877255641 690058133 /nfs/dbraw/zinc/05/81/33/690058133.db2.gz GIRBQWKGQYMLGV-WBMJQRKESA-N 1 0 314.385 2.148 20 10 DECDRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000877256859 690058601 /nfs/dbraw/zinc/05/86/01/690058601.db2.gz GIRBQWKGQYMLGV-LRDDRELGSA-N 1 0 314.385 2.148 20 10 DECDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877523073 690140130 /nfs/dbraw/zinc/14/01/30/690140130.db2.gz SNJJGAWQDTYDCM-MRXNPFEDSA-N 1 0 306.450 2.002 20 10 DECDRO Cc1cccc(O)c1C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000877559778 690152368 /nfs/dbraw/zinc/15/23/68/690152368.db2.gz VSJQEKDDAWNKMP-CYBMUJFWSA-N 1 0 324.421 2.018 20 10 DECDRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877591366 690161369 /nfs/dbraw/zinc/16/13/69/690161369.db2.gz CPRYEJGTVNPMGO-IAGOWNOFSA-N 1 0 318.461 2.288 20 10 DECDRO C[C@@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)C1O ZINC000877628142 690172258 /nfs/dbraw/zinc/17/22/58/690172258.db2.gz CWHPXTMLDZTXEO-HUUCEWRRSA-N 1 0 318.461 2.096 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000877632375 690173589 /nfs/dbraw/zinc/17/35/89/690173589.db2.gz XGPGQVFLFGLSDF-QGZVFWFLSA-N 1 0 318.461 2.146 20 10 DECDRO COCC1(C2CC2)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877686101 690191556 /nfs/dbraw/zinc/19/15/56/690191556.db2.gz KXCDXSBKYFRZBX-UHFFFAOYSA-N 1 0 316.445 2.382 20 10 DECDRO C[C@](CO)([NH2+]Cc1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000877692166 690193390 /nfs/dbraw/zinc/19/33/90/690193390.db2.gz VALADCNLIJKQKO-MRXNPFEDSA-N 1 0 320.320 2.437 20 10 DECDRO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cc(F)ccc1O ZINC000877765972 690219982 /nfs/dbraw/zinc/21/99/82/690219982.db2.gz NMBTVOZYIZOEHK-UHFFFAOYSA-N 1 0 308.397 2.076 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc[nH]c(=O)c1 ZINC000877921432 690260683 /nfs/dbraw/zinc/26/06/83/690260683.db2.gz HMVWKHLEWMOYCG-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCO[C@@H]3C)CC2)cc1F ZINC000878180967 690337359 /nfs/dbraw/zinc/33/73/59/690337359.db2.gz JOAAYGDTWIWLQN-KGLIPLIRSA-N 1 0 308.397 2.381 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000879571549 690676320 /nfs/dbraw/zinc/67/63/20/690676320.db2.gz BQXPXDKDCDNYGR-BLLLJJGKSA-N 1 0 306.381 2.260 20 10 DECDRO CCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881850803 691173908 /nfs/dbraw/zinc/17/39/08/691173908.db2.gz GMUXTQCFTWSSRR-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883165931 691445675 /nfs/dbraw/zinc/44/56/75/691445675.db2.gz PAXDIRLVHXRZRX-LBPRGKRZSA-N 1 0 315.408 2.032 20 10 DECDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283672 691471680 /nfs/dbraw/zinc/47/16/80/691471680.db2.gz NYFQMTAFFQDZIJ-MRXNPFEDSA-N 1 0 305.466 2.342 20 10 DECDRO Cc1cnc(F)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010950 691632708 /nfs/dbraw/zinc/63/27/08/691632708.db2.gz PDKFSBPFKCCPHA-HNNXBMFYSA-N 1 0 316.380 2.025 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@@](C)(O)C(F)F)CC2)cc1 ZINC000885959882 691971820 /nfs/dbraw/zinc/97/18/20/691971820.db2.gz DBJIBXPCRQFTSH-MRXNPFEDSA-N 1 0 314.376 2.223 20 10 DECDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000886109433 692005354 /nfs/dbraw/zinc/00/53/54/692005354.db2.gz KFFATOUUQKABLP-WBMJQRKESA-N 1 0 314.376 2.190 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1F ZINC000886260189 692037564 /nfs/dbraw/zinc/03/75/64/692037564.db2.gz QUJQZRXLBFXQCZ-GJWQZFMSSA-N 1 0 324.440 2.426 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000886295979 692047418 /nfs/dbraw/zinc/04/74/18/692047418.db2.gz VOPQNXAIMGPREE-XJKSGUPXSA-N 1 0 310.463 2.056 20 10 DECDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000886295572 692047510 /nfs/dbraw/zinc/04/75/10/692047510.db2.gz AXYZUQRBXXCLPK-PBHICJAKSA-N 1 0 322.474 2.200 20 10 DECDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)O2)CO1 ZINC000886334335 692059572 /nfs/dbraw/zinc/05/95/72/692059572.db2.gz VNQCPDNSPNLFLT-SKDZVZGDSA-N 1 0 303.402 2.438 20 10 DECDRO Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)ccc1N1CCCCC1 ZINC000886517945 692098932 /nfs/dbraw/zinc/09/89/32/692098932.db2.gz XQDSJWNESCBJNV-QZTJIDSGSA-N 1 0 304.434 2.177 20 10 DECDRO C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1c([O-])cccc1F ZINC000886607189 692130991 /nfs/dbraw/zinc/13/09/91/692130991.db2.gz MEPVZMAHGAYXST-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO CC(C)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863363 692319887 /nfs/dbraw/zinc/31/98/87/692319887.db2.gz XVXKONLBIOFCMK-MRXNPFEDSA-N 1 0 317.393 2.452 20 10 DECDRO CC(C)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863362 692319961 /nfs/dbraw/zinc/31/99/61/692319961.db2.gz XVXKONLBIOFCMK-INIZCTEOSA-N 1 0 317.393 2.452 20 10 DECDRO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)NCC(F)F ZINC000887349962 692341381 /nfs/dbraw/zinc/34/13/81/692341381.db2.gz PHFKXSRIUAAXGE-UHFFFAOYSA-N 1 0 314.405 2.119 20 10 DECDRO CCCN(CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670687 692757421 /nfs/dbraw/zinc/75/74/21/692757421.db2.gz YFXDDLNEQFAPMC-UHFFFAOYSA-N 1 0 318.465 2.380 20 10 DECDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000925785297 693341335 /nfs/dbraw/zinc/34/13/35/693341335.db2.gz WAQCRDWIRZTXJP-PBFPGSCMSA-N 1 0 323.868 2.435 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925784810 693341626 /nfs/dbraw/zinc/34/16/26/693341626.db2.gz SKYCPMBMXVUNQZ-UWVGGRQHSA-N 1 0 315.320 2.196 20 10 DECDRO Oc1cccc2c1[C@@H](N[C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925796122 693343847 /nfs/dbraw/zinc/34/38/47/693343847.db2.gz KSPOMKKTLAEJSC-CABCVRRESA-N 1 0 302.418 2.128 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CN4C[C@@H]3CCC4)C2)cc1 ZINC000926611492 693478260 /nfs/dbraw/zinc/47/82/60/693478260.db2.gz LUHAVHNOCNOUDO-GJYPPUQNSA-N 1 0 315.461 2.205 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cn(C)cn3)C2)cc1 ZINC000926680655 693491253 /nfs/dbraw/zinc/49/12/53/693491253.db2.gz QUECXYHPVKPEFR-ZIAGYGMSSA-N 1 0 300.406 2.358 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC001333714241 1150082875 /nfs/dbraw/zinc/08/28/75/1150082875.db2.gz LFNACXAJTLWLFE-LBPRGKRZSA-N 1 0 308.422 2.444 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001335726578 1150512560 /nfs/dbraw/zinc/51/25/60/1150512560.db2.gz VDYUDNMHBNYMKI-HOTGVXAUSA-N 1 0 316.449 2.190 20 10 DECDRO COc1ccc(N2CCN(c3cc[nH+]cc3CO)CC2)cc1F ZINC001342916774 1150626971 /nfs/dbraw/zinc/62/69/71/1150626971.db2.gz ZFXZIJJLGBLOQJ-UHFFFAOYSA-N 1 0 317.364 2.048 20 10 DECDRO CN1C[C@@H](CN(Cc2ccco2)Cc2ccccc2O)OC1=O ZINC001343890406 1150781947 /nfs/dbraw/zinc/78/19/47/1150781947.db2.gz QOIVOLLHGDRZLB-HNNXBMFYSA-N 1 0 316.357 2.438 20 10 DECDRO C[C@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)[S@](C)=O ZINC001348090589 1151119153 /nfs/dbraw/zinc/11/91/53/1151119153.db2.gz ZOKKICZXPDZDEM-SBKAZYGRSA-N 1 0 304.406 2.278 20 10 DECDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3Cc4cccc(O)c4C3)C[N@@H+]2C1 ZINC001348929224 1151210313 /nfs/dbraw/zinc/21/03/13/1151210313.db2.gz RWBKSAZXAYEBKJ-SNPRPXQTSA-N 1 0 300.402 2.355 20 10 DECDRO CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC001350478809 1151362033 /nfs/dbraw/zinc/36/20/33/1151362033.db2.gz CFUAJCZXIOEGRR-AWEZNQCLSA-N 1 0 322.428 2.127 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001353539874 1151837181 /nfs/dbraw/zinc/83/71/81/1151837181.db2.gz PHGBZFQDZKHYDV-XJKSGUPXSA-N 1 0 304.438 2.141 20 10 DECDRO COC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1CC[NH3+])CC2 ZINC001355452110 1152012375 /nfs/dbraw/zinc/01/23/75/1152012375.db2.gz OQPPGSHJFXVQOH-UHFFFAOYSA-N 1 0 324.380 2.177 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@H]([NH3+])C3)c2C)cc1 ZINC001356432894 1152081386 /nfs/dbraw/zinc/08/13/86/1152081386.db2.gz FIBWGMYPQAOHLN-HDJSIYSDSA-N 1 0 313.401 2.322 20 10 DECDRO Cc1ccc(N(Cc2cnn(C)c2)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC001332094287 1149818677 /nfs/dbraw/zinc/81/86/77/1149818677.db2.gz GIOPJIRLZDQRPQ-MRXNPFEDSA-N 1 0 310.401 2.309 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001233106638 782214460 /nfs/dbraw/zinc/21/44/60/782214460.db2.gz KAOBMZHTVFGZOT-VXGBXAGGSA-N 1 0 318.186 2.368 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCO[C@H]2C)cc1C ZINC001126329227 778732346 /nfs/dbraw/zinc/73/23/46/778732346.db2.gz YHCCBJQCAPCJSP-HOCLYGCPSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(Br)c(CN2CC[C@@](C)([NH3+])C2)c1O ZINC001204791631 779816466 /nfs/dbraw/zinc/81/64/66/779816466.db2.gz QHXIOZIFIBUPDB-CYBMUJFWSA-N 1 0 315.211 2.086 20 10 DECDRO CCO[C@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001127002074 781599024 /nfs/dbraw/zinc/59/90/24/781599024.db2.gz MIABTTYBTCHDOI-KRWDZBQOSA-N 1 0 322.449 2.271 20 10 DECDRO CS(=O)(=O)C1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001169891482 785422499 /nfs/dbraw/zinc/42/24/99/785422499.db2.gz DRGLACCWIRHTPG-UHFFFAOYSA-N 1 0 309.431 2.106 20 10 DECDRO CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086562186 786251704 /nfs/dbraw/zinc/25/17/04/786251704.db2.gz FDLQNFTZHXSMGP-YEORSEQZSA-N 1 0 317.393 2.357 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC001135668722 789441702 /nfs/dbraw/zinc/44/17/02/789441702.db2.gz MJLSWRNHLKGCKM-UHFFFAOYSA-N 1 0 317.393 2.455 20 10 DECDRO [NH3+][C@H]1CCN(Cc2c(O)cccc2Br)CC[C@H]1F ZINC001206172779 793473336 /nfs/dbraw/zinc/47/33/36/793473336.db2.gz BZFAFEYKTKMEPM-NEPJUHHUSA-N 1 0 317.202 2.416 20 10 DECDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172746285 793488912 /nfs/dbraw/zinc/48/89/12/793488912.db2.gz ODDGAFMGGDGKOO-NSHDSACASA-N 1 0 311.378 2.056 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1F ZINC001177209251 794601014 /nfs/dbraw/zinc/60/10/14/794601014.db2.gz KGCHHTZRAZMWQL-UHFFFAOYSA-N 1 0 319.424 2.382 20 10 DECDRO CC(C)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238159 794616038 /nfs/dbraw/zinc/61/60/38/794616038.db2.gz SUUKBHMKEXZEGF-UHFFFAOYSA-N 1 0 305.382 2.215 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCO3)cc2F)CC1 ZINC001177570101 794701433 /nfs/dbraw/zinc/70/14/33/794701433.db2.gz ANPZNRTYTHFDMT-INIZCTEOSA-N 1 0 321.440 2.236 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](CO)c1cnn(C)c1 ZINC001116567150 794969556 /nfs/dbraw/zinc/96/95/56/794969556.db2.gz BIYZVKONPSNQRZ-KWCYVHTRSA-N 1 0 301.390 2.306 20 10 DECDRO C[C@H](C(=O)NCc1cccc(Br)c1O)n1ccnc1 ZINC001116778451 794986281 /nfs/dbraw/zinc/98/62/81/794986281.db2.gz JFQSKFNZYCPZOR-SECBINFHSA-N 1 0 324.178 2.229 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001179559780 795130509 /nfs/dbraw/zinc/13/05/09/795130509.db2.gz VLRKXMDPSXKOPK-NXHRZFHOSA-N 1 0 302.418 2.180 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1Cl ZINC001118575598 795201013 /nfs/dbraw/zinc/20/10/13/795201013.db2.gz IAVPOEPHTFZDJC-ZDUSSCGKSA-N 1 0 320.824 2.456 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](CO)c2cccnc2)cc1F ZINC001118804141 795228640 /nfs/dbraw/zinc/22/86/40/795228640.db2.gz ZNYNOEADPRYXAU-CQSZACIVSA-N 1 0 321.371 2.292 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119203437 795272555 /nfs/dbraw/zinc/27/25/55/795272555.db2.gz CLCYNJHPQLGAGH-CABCVRRESA-N 1 0 303.406 2.290 20 10 DECDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC001119297932 795284525 /nfs/dbraw/zinc/28/45/25/795284525.db2.gz UTODBSXGRYKYKD-UHFFFAOYSA-N 1 0 322.424 2.446 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001120555200 795483541 /nfs/dbraw/zinc/48/35/41/795483541.db2.gz VFSOEWMXQXQDLN-HIFRSBDPSA-N 1 0 305.422 2.169 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC001120591843 795493469 /nfs/dbraw/zinc/49/34/69/795493469.db2.gz KSCYTVXPKFAQMT-INIZCTEOSA-N 1 0 302.422 2.039 20 10 DECDRO [NH3+]CC[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC001120609635 795497664 /nfs/dbraw/zinc/49/76/64/795497664.db2.gz GOLWOELOVAUACK-NSHDSACASA-N 1 0 314.480 2.006 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC001120616551 795499320 /nfs/dbraw/zinc/49/93/20/795499320.db2.gz BOWDNYLPFHDZNL-KBPBESRZSA-N 1 0 304.438 2.194 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182154528 795614519 /nfs/dbraw/zinc/61/45/19/795614519.db2.gz IHAVXBQXTPPARI-UHFFFAOYSA-N 1 0 320.433 2.363 20 10 DECDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CCc1ccc(O)c(O)c1)C2 ZINC001182156742 795615891 /nfs/dbraw/zinc/61/58/91/795615891.db2.gz AXHZQVSTZVXABE-QKDCVEJESA-N 1 0 318.417 2.162 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001204328265 795634020 /nfs/dbraw/zinc/63/40/20/795634020.db2.gz FIFVRJREIMDTBU-QGZVFWFLSA-N 1 0 318.417 2.051 20 10 DECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337859 796198677 /nfs/dbraw/zinc/19/86/77/796198677.db2.gz DXVUSLINDIYCFO-IUODEOHRSA-N 1 0 302.418 2.046 20 10 DECDRO Oc1c(C[NH+]2CC3(CC(O)C3)C2)cc2c3c1CCCN3CCC2 ZINC001138338935 796199989 /nfs/dbraw/zinc/19/99/89/796199989.db2.gz WKWMNESWJZSVFP-UHFFFAOYSA-N 1 0 314.429 2.048 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001138338708 796200796 /nfs/dbraw/zinc/20/07/96/796200796.db2.gz UIXMYGTZSPJYMU-CXAGYDPISA-N 1 0 316.445 2.294 20 10 DECDRO CC(=O)N1CCN(Cc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC001138359365 796205720 /nfs/dbraw/zinc/20/57/20/796205720.db2.gz SCUFADOHINLEKE-AWEZNQCLSA-N 1 0 301.434 2.122 20 10 DECDRO COc1cc(CN2CC(F)(C3CC3)C2)cc(C[NH+](C)C)c1O ZINC001139252921 796348874 /nfs/dbraw/zinc/34/88/74/796348874.db2.gz FMKJTGCRYMAHQT-UHFFFAOYSA-N 1 0 308.397 2.396 20 10 DECDRO COc1cc(CN2CC3(C2)CCCCO3)cc(C[NH+](C)C)c1O ZINC001139256179 796349795 /nfs/dbraw/zinc/34/97/95/796349795.db2.gz VYFLTIFUKWXHNU-UHFFFAOYSA-N 1 0 320.433 2.217 20 10 DECDRO COc1cc(CN(C)Cc2ccncc2)cc(C[NH+](C)C)c1O ZINC001139256200 796350309 /nfs/dbraw/zinc/35/03/09/796350309.db2.gz WWBGYEZJOHFANT-UHFFFAOYSA-N 1 0 315.417 2.489 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)cc2)CC1 ZINC001139413466 796372363 /nfs/dbraw/zinc/37/23/63/796372363.db2.gz UTOVGIPSTMNVLU-SZMVWBNQSA-N 1 0 303.425 2.371 20 10 DECDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(C)C)c(C)c3)CC[N@@H+]2C1 ZINC001139672600 796408196 /nfs/dbraw/zinc/40/81/96/796408196.db2.gz ZAJAACJBZZTAAQ-ZWKOTPCHSA-N 1 0 317.477 2.356 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC001140179707 796486637 /nfs/dbraw/zinc/48/66/37/796486637.db2.gz MWLAZBUACYAQHU-INIZCTEOSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c1O ZINC001140185166 796487712 /nfs/dbraw/zinc/48/77/12/796487712.db2.gz QQAHNMYEARPTLB-HUUCEWRRSA-N 1 0 304.434 2.302 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@H](F)C3)cc2)CC1 ZINC001140301872 796503458 /nfs/dbraw/zinc/50/34/58/796503458.db2.gz CADNJVFGJKXYEB-IAGOWNOFSA-N 1 0 309.404 2.320 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140342554 796510483 /nfs/dbraw/zinc/51/04/83/796510483.db2.gz OZTKMAWNZXERSZ-LLVKDONJSA-N 1 0 305.765 2.489 20 10 DECDRO COCC[N@H+](Cc1cc(C)ccc1O)C1CCN(C(C)=O)CC1 ZINC001140621082 796547101 /nfs/dbraw/zinc/54/71/01/796547101.db2.gz ODLCLXNLNFIWMC-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO CN(Cc1cnn(C)c1)Cc1ccc(N2CCOCC2)cc1F ZINC001140662399 796551902 /nfs/dbraw/zinc/55/19/02/796551902.db2.gz RYZFUPROWQQZDG-UHFFFAOYSA-N 1 0 318.396 2.028 20 10 DECDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140744013 796566769 /nfs/dbraw/zinc/56/67/69/796566769.db2.gz IARDFXZKVWNBPP-UHFFFAOYSA-N 1 0 318.417 2.241 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC001140748420 796567280 /nfs/dbraw/zinc/56/72/80/796567280.db2.gz ZFVSZSSDHVBNIM-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(O)c1 ZINC001140850688 796582832 /nfs/dbraw/zinc/58/28/32/796582832.db2.gz QWTSSFXIFHUREQ-MRXNPFEDSA-N 1 0 324.465 2.192 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC001140854930 796584176 /nfs/dbraw/zinc/58/41/76/796584176.db2.gz GXWPLBNMCQINGE-MRXNPFEDSA-N 1 0 319.449 2.339 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CC(CC(=O)OC)C2)c(O)c1 ZINC001140855240 796584224 /nfs/dbraw/zinc/58/42/24/796584224.db2.gz SYKOXAVDYWLRFB-UHFFFAOYSA-N 1 0 306.406 2.233 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950156 796606497 /nfs/dbraw/zinc/60/64/97/796606497.db2.gz PBFQLXXMFTWJQJ-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001141030636 796621268 /nfs/dbraw/zinc/62/12/68/796621268.db2.gz DXMGNFOYIXXQPM-LBPRGKRZSA-N 1 0 323.389 2.137 20 10 DECDRO CCc1nc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)no1 ZINC001141160775 796643126 /nfs/dbraw/zinc/64/31/26/796643126.db2.gz HXUOBDBUDNGZOQ-UHFFFAOYSA-N 1 0 303.362 2.423 20 10 DECDRO CSc1ncc2c(n1)CN(Cc1cc(O)ccc1O)CC2 ZINC001141162360 796643234 /nfs/dbraw/zinc/64/32/34/796643234.db2.gz QXYLZSLYNVIIBP-UHFFFAOYSA-N 1 0 303.387 2.168 20 10 DECDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193236726 797529037 /nfs/dbraw/zinc/52/90/37/797529037.db2.gz OWPWYAVEZGCBPA-SNVBAGLBSA-N 1 0 312.797 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CCOC(=O)c1c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c2ccccc2n1C ZINC001233270354 802059659 /nfs/dbraw/zinc/05/96/59/802059659.db2.gz KRNQLPKVCGYGJB-OLZOCXBDSA-N 1 0 316.401 2.310 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001233289975 802063953 /nfs/dbraw/zinc/06/39/53/802063953.db2.gz ADQRZQAAYIAQJB-UHFFFAOYSA-N 1 0 322.796 2.483 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCC(=O)N3)CC2)c1O ZINC001233290964 802065760 /nfs/dbraw/zinc/06/57/60/802065760.db2.gz FOXITNMYOURRJS-UHFFFAOYSA-N 1 0 324.808 2.299 20 10 DECDRO CCN1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1=O ZINC001233455138 802120945 /nfs/dbraw/zinc/12/09/45/802120945.db2.gz XTHAQYWFPHKRES-UHFFFAOYSA-N 1 0 302.296 2.075 20 10 DECDRO CC(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233455461 802121186 /nfs/dbraw/zinc/12/11/86/802121186.db2.gz LVLADZAFXVQWNG-ZDUSSCGKSA-N 1 0 303.280 2.201 20 10 DECDRO CCOC(=O)CCC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485010 802126764 /nfs/dbraw/zinc/12/67/64/802126764.db2.gz FQQVZRYEPWDFOT-UHFFFAOYSA-N 1 0 323.389 2.359 20 10 DECDRO Oc1c(C[NH+]2CC(C3COC3)C2)cccc1OC(F)(F)F ZINC001233728339 802191526 /nfs/dbraw/zinc/19/15/26/802191526.db2.gz VXCPISFUZVFIFR-UHFFFAOYSA-N 1 0 303.280 2.369 20 10 DECDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001234476473 802389249 /nfs/dbraw/zinc/38/92/49/802389249.db2.gz MPIHNKGNBVZHIK-PBKGOJFUSA-N 1 0 305.374 2.410 20 10 DECDRO COc1ccc2ccc(O)c(C[NH+]3CC(N4CC(F)C4)C3)c2c1 ZINC001234519148 802400651 /nfs/dbraw/zinc/40/06/51/802400651.db2.gz QMCCWBOJQGMTRC-UHFFFAOYSA-N 1 0 316.376 2.392 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222360538 802673194 /nfs/dbraw/zinc/67/31/94/802673194.db2.gz RLOGNEUWGHDALH-LJQANCHMSA-N 1 0 317.477 2.487 20 10 DECDRO Cc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC001334348027 1150279035 /nfs/dbraw/zinc/27/90/35/1150279035.db2.gz XMVSQMIWHQGZOL-QGZVFWFLSA-N 1 0 301.438 2.177 20 10 DECDRO C[NH2+]CCOc1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001331331377 1149420239 /nfs/dbraw/zinc/42/02/39/1149420239.db2.gz YGVBSESWGAFZNV-CYBMUJFWSA-N 1 0 314.385 2.481 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@@H](O)C(C)C)c2cc(F)ccc2n1C ZINC001331531847 1149513435 /nfs/dbraw/zinc/51/34/35/1149513435.db2.gz DTZAZJBIIDBONH-OAHLLOKOSA-N 1 0 322.380 2.211 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC2(C)C)cc1 ZINC001335952311 1150567460 /nfs/dbraw/zinc/56/74/60/1150567460.db2.gz VORIQZGTZYKFSP-INIZCTEOSA-N 1 0 318.465 2.330 20 10 DECDRO COc1cc(C)c(C[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC001462128730 1058763377 /nfs/dbraw/zinc/76/33/77/1058763377.db2.gz UUBYCMGGSBHOIR-UHFFFAOYSA-N 1 0 319.430 2.344 20 10 DECDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(O)c1O ZINC001463837346 1059031624 /nfs/dbraw/zinc/03/16/24/1059031624.db2.gz SCAIAFRAYOOYHF-UHFFFAOYSA-N 1 0 316.357 2.420 20 10 DECDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001464143794 1059083132 /nfs/dbraw/zinc/08/31/32/1059083132.db2.gz CFNVGITVMDNHEL-LBPRGKRZSA-N 1 0 317.393 2.311 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC001474066161 1060809377 /nfs/dbraw/zinc/80/93/77/1060809377.db2.gz ZUIASQUVPBJRRT-UHFFFAOYSA-N 1 0 308.385 2.270 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(OCCO)CCOC1 ZINC001327265810 1148506491 /nfs/dbraw/zinc/50/64/91/1148506491.db2.gz FJGRXNNASQWODF-HBUWYVDXSA-N 1 0 321.417 2.007 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCOC2)cc1C ZINC001480751365 1063296310 /nfs/dbraw/zinc/29/63/10/1063296310.db2.gz CREKQYGLTTUZJZ-GOEBONIOSA-N 1 0 320.433 2.025 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1F ZINC001616924783 1078136524 /nfs/dbraw/zinc/13/65/24/1078136524.db2.gz NXJYEOJXHYWASN-UHFFFAOYSA-N 1 0 307.413 2.384 20 10 DECDRO O=C1N=NCN1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001621302585 1078172028 /nfs/dbraw/zinc/17/20/28/1078172028.db2.gz XAEPJFFIKJYVDW-UHFFFAOYSA-N 1 0 308.769 2.180 20 10 DECDRO CC[C@@H](OC)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001496019079 1065229534 /nfs/dbraw/zinc/22/95/34/1065229534.db2.gz XTRKZSQWKFNYFK-GDBMZVCRSA-N 1 0 322.449 2.365 20 10 DECDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001628693864 1078302216 /nfs/dbraw/zinc/30/22/16/1078302216.db2.gz VDUNJOPOOHUMAP-ZDUSSCGKSA-N 1 0 306.406 2.021 20 10 DECDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](C)[NH2+]1 ZINC001576771439 1066685248 /nfs/dbraw/zinc/68/52/48/1066685248.db2.gz DNVFXMQWKYLMGW-QWRGUYRKSA-N 1 0 314.480 2.017 20 10 DECDRO CC[C@](C)(C[NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001576948079 1066728998 /nfs/dbraw/zinc/72/89/98/1066728998.db2.gz GEIBJQPIZQRHSW-RDTXWAMCSA-N 1 0 319.449 2.013 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCOC(C)(C)C)cc1 ZINC001578424265 1067096621 /nfs/dbraw/zinc/09/66/21/1067096621.db2.gz CAFHPTWKEZFYFW-MRXNPFEDSA-N 1 0 321.465 2.464 20 10 DECDRO COc1cc(C)cc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1O ZINC001579144572 1067241597 /nfs/dbraw/zinc/24/15/97/1067241597.db2.gz GJHJEEXJJMFSSR-MRXNPFEDSA-N 1 0 313.401 2.251 20 10 DECDRO COc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1Cn1cccn1 ZINC001579216353 1067261237 /nfs/dbraw/zinc/26/12/37/1067261237.db2.gz QKYOEOWNASRGOT-KRWDZBQOSA-N 1 0 316.449 2.403 20 10 DECDRO C[C@H]([NH3+])CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001579480224 1067351445 /nfs/dbraw/zinc/35/14/45/1067351445.db2.gz SUXRKCHZTFEVTL-LBPRGKRZSA-N 1 0 324.388 2.255 20 10 DECDRO Cc1cc(CCNC(=O)C2(C[NH3+])CC2)c(C)n1-c1ccccc1 ZINC001579592964 1067378022 /nfs/dbraw/zinc/37/80/22/1067378022.db2.gz OTBVKNYPYWMNQI-UHFFFAOYSA-N 1 0 311.429 2.492 20 10 DECDRO Cc1ccc(O)c(CNC(=O)c2cc3c(s2)C[NH2+]CC3)c1 ZINC001579723379 1067411274 /nfs/dbraw/zinc/41/12/74/1067411274.db2.gz LJVZRQGHZKSOMK-UHFFFAOYSA-N 1 0 302.399 2.338 20 10 DECDRO C[N@H+](CCCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001637492377 1078522188 /nfs/dbraw/zinc/52/21/88/1078522188.db2.gz DXIMYCPAWWYZOC-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO Cn1cc(C[NH2+]CCc2ccc(N)cc2)c(C2CCOCC2)n1 ZINC001579964550 1067463312 /nfs/dbraw/zinc/46/33/12/1067463312.db2.gz QENLNBAILPHFSS-UHFFFAOYSA-N 1 0 314.433 2.229 20 10 DECDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001580258528 1067544904 /nfs/dbraw/zinc/54/49/04/1067544904.db2.gz SSNHIPYFPATUAZ-WCBMZHEXSA-N 1 0 306.387 2.170 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001514533676 1068720303 /nfs/dbraw/zinc/72/03/03/1068720303.db2.gz ZHMUYRWGBFKCPU-KXBFYZLASA-N 1 0 324.428 2.443 20 10 DECDRO CC(C)C[NH+]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001519511387 1069052808 /nfs/dbraw/zinc/05/28/08/1069052808.db2.gz VFZFEESGVUXAPA-UHFFFAOYSA-N 1 0 321.450 2.027 20 10 DECDRO CC(C)N(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001620761837 1069177322 /nfs/dbraw/zinc/17/73/22/1069177322.db2.gz UVDGBNWJQADDTG-UHFFFAOYSA-N 1 0 322.472 2.007 20 10 DECDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)Cc3ccccc3O)C[N@@H+]2C1 ZINC001521256181 1069225659 /nfs/dbraw/zinc/22/56/59/1069225659.db2.gz XKHWOWXQBXQHDY-KBMXLJTQSA-N 1 0 302.418 2.471 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cccc(O)c1O ZINC001521851644 1069277052 /nfs/dbraw/zinc/27/70/52/1069277052.db2.gz OPYAZVJEDAVOPW-UHFFFAOYSA-N 1 0 306.387 2.151 20 10 DECDRO C[NH+](C)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001556388759 1075028817 /nfs/dbraw/zinc/02/88/17/1075028817.db2.gz UPIPWECGBNLZQN-UHFFFAOYSA-N 1 0 303.366 2.063 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)on2)cc1C ZINC001566996391 1075411107 /nfs/dbraw/zinc/41/11/07/1075411107.db2.gz MJPVPIDLQBLZKX-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](OC)C(C)C)cc1C ZINC001567050530 1075422727 /nfs/dbraw/zinc/42/27/27/1075422727.db2.gz BQSCCZPRCDTJBL-PBHICJAKSA-N 1 0 322.449 2.269 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592747643 1076957895 /nfs/dbraw/zinc/95/78/95/1076957895.db2.gz XDJQAJGGPORRBT-UHFFFAOYSA-N 1 0 320.400 2.278 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccccc1O ZINC001609194688 1077793686 /nfs/dbraw/zinc/79/36/86/1077793686.db2.gz LEBHEWJTYQUWEJ-CQSZACIVSA-N 1 0 310.361 2.208 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c1 ZINC001609426957 1077857719 /nfs/dbraw/zinc/85/77/19/1077857719.db2.gz AUKRQMJVBUIWKB-NSHDSACASA-N 1 0 310.361 2.127 20 10 DECDRO CCc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)NC)c1O ZINC001652196603 1079857228 /nfs/dbraw/zinc/85/72/28/1079857228.db2.gz KEKSDOQVWVVNDV-QGZVFWFLSA-N 1 0 312.413 2.402 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1ccc(F)cc1 ZINC000067252281 1079881464 /nfs/dbraw/zinc/88/14/64/1079881464.db2.gz ZGBRVGIMUGTSER-MRXNPFEDSA-N 1 0 317.360 2.290 20 10 DECDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655688263 1080012811 /nfs/dbraw/zinc/01/28/11/1080012811.db2.gz WEWJCHSYKLYQQY-GJZGRUSLSA-N 1 0 323.456 2.074 20 10 DECDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CC1CC1 ZINC001485232096 1080079858 /nfs/dbraw/zinc/07/98/58/1080079858.db2.gz OPYIEELKDFTLAP-QWRGUYRKSA-N 1 0 317.393 2.355 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](CO)CC2CCCC2)cc1OC ZINC001657904286 1080187926 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CN(C)c1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)cc1 ZINC001276957995 1083699943 /nfs/dbraw/zinc/69/99/43/1083699943.db2.gz BIVHZYLVDNOOTQ-UHFFFAOYSA-N 1 0 323.387 2.146 20 10 DECDRO CN(C)c1ccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c2ccccc21 ZINC001277174026 1083828310 /nfs/dbraw/zinc/82/83/10/1083828310.db2.gz RMCNURKHUPPFRU-INIZCTEOSA-N 1 0 309.413 2.213 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)cc1 ZINC001277207356 1083846928 /nfs/dbraw/zinc/84/69/28/1083846928.db2.gz STYFXXHFZAEJFP-KRWDZBQOSA-N 1 0 309.413 2.401 20 10 DECDRO O=C([C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CC=CC1 ZINC001277445381 1083974458 /nfs/dbraw/zinc/97/44/58/1083974458.db2.gz DOVVAASWRHDFLF-MRXNPFEDSA-N 1 0 312.413 2.393 20 10 DECDRO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2)C(C)C ZINC001277660118 1084080887 /nfs/dbraw/zinc/08/08/87/1084080887.db2.gz PLFRGLRBZMUAFC-HNNXBMFYSA-N 1 0 318.417 2.177 20 10 DECDRO CC[NH+]1CCN(c2ccc(OC[C@H]3COC(C)(C)O3)cc2)CC1 ZINC001234658023 1084190015 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C[N@@H+]1CCCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3O)CC2)C1 ZINC001276055368 1091493288 /nfs/dbraw/zinc/49/32/88/1091493288.db2.gz GOKOIDSUGXCORE-UHFFFAOYSA-N 1 0 318.417 2.398 20 10 DECDRO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(O)c1 ZINC001275112840 1091562059 /nfs/dbraw/zinc/56/20/59/1091562059.db2.gz ULPZMMDURGJFPE-HOTGVXAUSA-N 1 0 318.417 2.395 20 10 DECDRO CCn1ccnc1CN1CCC12C[NH+](Cc1ccccc1O)C2 ZINC001275267478 1091644765 /nfs/dbraw/zinc/64/47/65/1091644765.db2.gz PKNPILUNEONKDN-UHFFFAOYSA-N 1 0 312.417 2.069 20 10 DECDRO C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275468206 1091773794 /nfs/dbraw/zinc/77/37/94/1091773794.db2.gz UZWZJXBPENAFQU-QWRGUYRKSA-N 1 0 323.372 2.305 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001275833802 1092197510 /nfs/dbraw/zinc/19/75/10/1092197510.db2.gz RDJOGQBYOKNVHJ-HDICACEKSA-N 1 0 303.450 2.048 20 10 DECDRO CC(C)Cn1ccc(-c2cnn(CCC[NH+](C)C)c2)cc1=O ZINC001236156541 1138334190 /nfs/dbraw/zinc/33/41/90/1138334190.db2.gz WXOXKHWZIILKNS-UHFFFAOYSA-N 1 0 302.422 2.320 20 10 DECDRO CCOC(=O)CN(CCC[NH3+])Cc1c(C)n(C)c2ccccc21 ZINC001236305311 1138349321 /nfs/dbraw/zinc/34/93/21/1138349321.db2.gz FEZIFSXVISWCCY-UHFFFAOYSA-N 1 0 317.433 2.201 20 10 DECDRO COCCN(Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236333173 1138353307 /nfs/dbraw/zinc/35/33/07/1138353307.db2.gz CPWULMOLNFPZKJ-MRXNPFEDSA-N 1 0 306.450 2.500 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1OC ZINC001236750556 1138407839 /nfs/dbraw/zinc/40/78/39/1138407839.db2.gz RYTWJHZREPBGJX-SJCJKPOMSA-N 1 0 309.406 2.392 20 10 DECDRO CC[N@H+](CCCC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC001236749458 1138407953 /nfs/dbraw/zinc/40/79/53/1138407953.db2.gz FOLRWXPWALNRHY-UHFFFAOYSA-N 1 0 311.378 2.185 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1OC ZINC001236749368 1138408291 /nfs/dbraw/zinc/40/82/91/1138408291.db2.gz CHWAZJLHLOURRD-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1OC ZINC001236750557 1138408444 /nfs/dbraw/zinc/40/84/44/1138408444.db2.gz RYTWJHZREPBGJX-SJKOYZFVSA-N 1 0 309.406 2.392 20 10 DECDRO CC[N@H+](CCn1ccnc1)Cc1cc(OC)c(OC)cc1O ZINC001236753301 1138409117 /nfs/dbraw/zinc/40/91/17/1138409117.db2.gz KNOIFCPFGJQDGV-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)cc1OC ZINC001236757252 1138412129 /nfs/dbraw/zinc/41/21/29/1138412129.db2.gz JGRWAFATZWVROE-CQSZACIVSA-N 1 0 306.406 2.078 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(CC2)N=C(C)N(C)C3=O)c(O)c1 ZINC001236789343 1138428767 /nfs/dbraw/zinc/42/87/67/1138428767.db2.gz VMLVJEGXAFDTNI-UHFFFAOYSA-N 1 0 315.417 2.180 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236812538 1138436245 /nfs/dbraw/zinc/43/62/45/1138436245.db2.gz BDMRQULHHVEIIZ-CJNGLKHVSA-N 1 0 318.417 2.152 20 10 DECDRO CC[NH+](CC)C[C@H]1CN(Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236812992 1138436638 /nfs/dbraw/zinc/43/66/38/1138436638.db2.gz DIILAOSGQHUDCB-INIZCTEOSA-N 1 0 322.449 2.252 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC001236821754 1138439651 /nfs/dbraw/zinc/43/96/51/1138439651.db2.gz TZNRFLXKLSBZBA-UHFFFAOYSA-N 1 0 307.390 2.091 20 10 DECDRO C[N@H+](CCN1CCOCC1)Cc1cc2ccccc2cc1O ZINC001236827929 1138440733 /nfs/dbraw/zinc/44/07/33/1138440733.db2.gz WZRPQEHSKQYNGG-UHFFFAOYSA-N 1 0 300.402 2.309 20 10 DECDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921385 1138457162 /nfs/dbraw/zinc/45/71/62/1138457162.db2.gz FFMSMNYAQWGFIU-MRXNPFEDSA-N 1 0 310.825 2.133 20 10 DECDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001237047195 1138488374 /nfs/dbraw/zinc/48/83/74/1138488374.db2.gz UYRHVBSUSSBUQX-HNNXBMFYSA-N 1 0 306.406 2.234 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1O ZINC001237053023 1138490693 /nfs/dbraw/zinc/49/06/93/1138490693.db2.gz GXJYCKAECJBDEM-ZANVPECISA-N 1 0 305.296 2.146 20 10 DECDRO OC[C@@]1(F)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237053476 1138491745 /nfs/dbraw/zinc/49/17/45/1138491745.db2.gz MLBUWERQCZYNCO-CYBMUJFWSA-N 1 0 323.286 2.240 20 10 DECDRO Cc1cccc(O)c1CN1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001237486533 1138653738 /nfs/dbraw/zinc/65/37/38/1138653738.db2.gz SEKCFSZGZJGLBD-OAHLLOKOSA-N 1 0 314.433 2.091 20 10 DECDRO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001237641097 1138730160 /nfs/dbraw/zinc/73/01/60/1138730160.db2.gz LWYZHBNLKOCOJI-KRWDZBQOSA-N 1 0 317.360 2.391 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237669247 1138745124 /nfs/dbraw/zinc/74/51/24/1138745124.db2.gz KZJDALRAMJZURX-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(CN2CC([NH+]3CCC(F)CC3)C2)c(O)c(OC)c1 ZINC001237677615 1138753773 /nfs/dbraw/zinc/75/37/73/1138753773.db2.gz FTZIKUVRTAGCSI-UHFFFAOYSA-N 1 0 324.396 2.028 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)c(O)c(OC)c1 ZINC001237680344 1138756288 /nfs/dbraw/zinc/75/62/88/1138756288.db2.gz JDTVBJOVTSNOOB-NSHDSACASA-N 1 0 319.361 2.090 20 10 DECDRO COC[C@H]1Cn2ccnc2CN(Cc2cc(F)cc(C)c2O)C1 ZINC001238061600 1138819312 /nfs/dbraw/zinc/81/93/12/1138819312.db2.gz ONWVNJAJNPCBEM-CYBMUJFWSA-N 1 0 319.380 2.315 20 10 DECDRO CC(C)(C)NC(=O)[C@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254641 1138860315 /nfs/dbraw/zinc/86/03/15/1138860315.db2.gz COCGZVPHTNLUBS-CYBMUJFWSA-N 1 0 306.381 2.268 20 10 DECDRO O=C(N1CC=CC1)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2 ZINC001278291215 1139014779 /nfs/dbraw/zinc/01/47/79/1139014779.db2.gz YGSMPUOKDKEDAG-UHFFFAOYSA-N 1 0 310.397 2.032 20 10 DECDRO COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c(O)c1 ZINC001321196012 1141081810 /nfs/dbraw/zinc/08/18/10/1141081810.db2.gz JTOAKPXXABWAMA-GJZGRUSLSA-N 1 0 321.421 2.073 20 10 DECDRO C[C@@H](CCCC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001321907758 1141363303 /nfs/dbraw/zinc/36/33/03/1141363303.db2.gz UPACZBBUKBQAJC-HNNXBMFYSA-N 1 0 319.449 2.171 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001249201109 1141858949 /nfs/dbraw/zinc/85/89/49/1141858949.db2.gz GAQISEFPFYZLKH-MRXNPFEDSA-N 1 0 321.417 2.497 20 10 DECDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001251775508 1142510125 /nfs/dbraw/zinc/51/01/25/1142510125.db2.gz TVLYFVHEMHEMII-RTBURBONSA-N 1 0 317.477 2.486 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(O)c1OC ZINC001336748654 1142558479 /nfs/dbraw/zinc/55/84/79/1142558479.db2.gz WAOPFKACOPWRLT-JLZZUVOBSA-N 1 0 319.401 2.457 20 10 DECDRO C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001336948853 1142639472 /nfs/dbraw/zinc/63/94/72/1142639472.db2.gz YEFOVPQMFRBLQZ-PBHICJAKSA-N 1 0 316.449 2.036 20 10 DECDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001337001544 1142652536 /nfs/dbraw/zinc/65/25/36/1142652536.db2.gz VFBACWKIYJRTIB-GDBMZVCRSA-N 1 0 301.434 2.373 20 10 DECDRO Nc1ccc(CNC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC001337070448 1142675263 /nfs/dbraw/zinc/67/52/63/1142675263.db2.gz QWJQBBCMWQPEKH-MRXNPFEDSA-N 1 0 312.373 2.027 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)COCCO3)CCC2 ZINC001337203888 1142709107 /nfs/dbraw/zinc/70/91/07/1142709107.db2.gz AYXWUFORANSBEO-UHFFFAOYSA-N 1 0 303.402 2.262 20 10 DECDRO COc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(C)c2O)cc1 ZINC001252740110 1142813141 /nfs/dbraw/zinc/81/31/41/1142813141.db2.gz FWVWLNMDPNUWIH-OAHLLOKOSA-N 1 0 317.385 2.239 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]Cc3ccco3)cc2F)CC1 ZINC001338750567 1142875779 /nfs/dbraw/zinc/87/57/79/1142875779.db2.gz FZLSLCZRTWNZPI-UHFFFAOYSA-N 1 0 303.381 2.460 20 10 DECDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001338758888 1142876215 /nfs/dbraw/zinc/87/62/15/1142876215.db2.gz KOZBUOHPDWPLID-INIZCTEOSA-N 1 0 317.433 2.068 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC001339840264 1143127184 /nfs/dbraw/zinc/12/71/84/1143127184.db2.gz YIIBVIITECZYMQ-UHFFFAOYSA-N 1 0 312.369 2.146 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC001254721293 1143315513 /nfs/dbraw/zinc/31/55/13/1143315513.db2.gz OWGFEHBJEAERGF-UXIGCNINSA-N 1 0 301.390 2.306 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c(O)c1 ZINC001254729770 1143315926 /nfs/dbraw/zinc/31/59/26/1143315926.db2.gz MBQUANIUPSSGLB-ZJUUUORDSA-N 1 0 304.312 2.418 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340356489 1143329650 /nfs/dbraw/zinc/32/96/50/1143329650.db2.gz CTGSZTBJCWCKNT-JGGQBBKZSA-N 1 0 300.402 2.028 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001341125891 1143545786 /nfs/dbraw/zinc/54/57/86/1143545786.db2.gz ZBLRNKOTJWNVAQ-UGFHNGPFSA-N 1 0 306.381 2.458 20 10 DECDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001341466681 1143607026 /nfs/dbraw/zinc/60/70/26/1143607026.db2.gz PKBDNUJACOXBOZ-GFCCVEGCSA-N 1 0 311.813 2.329 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@@H]([NH3+])C3)c2C)cc1 ZINC001342071609 1143781536 /nfs/dbraw/zinc/78/15/36/1143781536.db2.gz FIBWGMYPQAOHLN-OKILXGFUSA-N 1 0 313.401 2.322 20 10 DECDRO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001255829062 1143809413 /nfs/dbraw/zinc/80/94/13/1143809413.db2.gz DXLXHMRDXVQSFH-GTNSWQLSSA-N 1 0 305.349 2.491 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc2F)CC1 ZINC001256049270 1143825098 /nfs/dbraw/zinc/82/50/98/1143825098.db2.gz YXIFPFYEGCKHSZ-KRWDZBQOSA-N 1 0 323.456 2.074 20 10 DECDRO COC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001261256132 1144228345 /nfs/dbraw/zinc/22/83/45/1144228345.db2.gz WZADVZOJZIMXMJ-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC001261376502 1144240076 /nfs/dbraw/zinc/24/00/76/1144240076.db2.gz PZZCEICWLCIAQO-SJORKVTESA-N 1 0 317.477 2.174 20 10 DECDRO Nc1ccc(CNC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC001262603621 1144322619 /nfs/dbraw/zinc/32/26/19/1144322619.db2.gz OXHAKLKGXYBZJE-INIZCTEOSA-N 1 0 316.449 2.380 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(F)c[nH]2)cc1C ZINC001265801391 1144742423 /nfs/dbraw/zinc/74/24/23/1144742423.db2.gz XTEFROBVGBBLHQ-LBPRGKRZSA-N 1 0 319.380 2.379 20 10 DECDRO CCOCCOC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001308583806 1147480538 /nfs/dbraw/zinc/48/05/38/1147480538.db2.gz WZNNMXNQWUUWSE-UHFFFAOYSA-N 1 0 309.406 2.418 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c1 ZINC001308577719 1147481035 /nfs/dbraw/zinc/48/10/35/1147481035.db2.gz JMAOIPHWRNZIST-OAHLLOKOSA-N 1 0 320.433 2.006 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCCCC2)cc1F ZINC001326371405 1148087014 /nfs/dbraw/zinc/08/70/14/1148087014.db2.gz RDAYOHIKHDSBBP-INIZCTEOSA-N 1 0 307.413 2.416 20 10 DECDRO CCOC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000079122242 185159639 /nfs/dbraw/zinc/15/96/39/185159639.db2.gz DFYSQEZAYXDCPJ-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3CC[NH+](C)CC3)ccc21 ZINC000073132580 191281003 /nfs/dbraw/zinc/28/10/03/191281003.db2.gz IVPAAEXCHDYOJO-UHFFFAOYSA-N 1 0 301.434 2.027 20 10 DECDRO COc1cccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000105650462 194117939 /nfs/dbraw/zinc/11/79/39/194117939.db2.gz RTSKKEHBDINXOA-AVGNSLFASA-N 1 0 306.406 2.278 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000106434881 194212796 /nfs/dbraw/zinc/21/27/96/194212796.db2.gz LZLVXAFUVGXWGQ-KRWDZBQOSA-N 1 0 303.450 2.271 20 10 DECDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281197344 285134458 /nfs/dbraw/zinc/13/44/58/285134458.db2.gz IVDZKEDODIOLFL-LBPRGKRZSA-N 1 0 320.355 2.258 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(CCCO)CC2)cc1OC ZINC000272819453 130065918 /nfs/dbraw/zinc/06/59/18/130065918.db2.gz CANPAGZBFQEZFX-UHFFFAOYSA-N 1 0 309.406 2.394 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284055956 131044075 /nfs/dbraw/zinc/04/40/75/131044075.db2.gz JWBAQLRNZOQLSY-AWEZNQCLSA-N 1 0 311.447 2.429 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181587 131057219 /nfs/dbraw/zinc/05/72/19/131057219.db2.gz RGYJYSZPPWVRBV-ZIAGYGMSSA-N 1 0 310.463 2.228 20 10 DECDRO CCOCc1cc(C[NH2+]CCN2CCCOCC2)ccc1OC ZINC000289373330 131379335 /nfs/dbraw/zinc/37/93/35/131379335.db2.gz BLEMDYJGIKGUNM-UHFFFAOYSA-N 1 0 322.449 2.044 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(OC)n1 ZINC000289471486 131388773 /nfs/dbraw/zinc/38/87/73/131388773.db2.gz DJHCMSUXERJBGJ-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO Cc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1N(C)C ZINC000292763164 131674680 /nfs/dbraw/zinc/67/46/80/131674680.db2.gz JALCBJNDBKYHNB-GOSISDBHSA-N 1 0 317.477 2.215 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551024 401824169 /nfs/dbraw/zinc/82/41/69/401824169.db2.gz KDBVEZHTCSOXNT-HIFRSBDPSA-N 1 0 308.397 2.492 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)cc1OC ZINC000119539117 401957221 /nfs/dbraw/zinc/95/72/21/401957221.db2.gz CJMPYZSRYXJELN-HNNXBMFYSA-N 1 0 317.385 2.103 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC000093691452 402019742 /nfs/dbraw/zinc/01/97/42/402019742.db2.gz CNTZYHHAMGOGJT-HNNXBMFYSA-N 1 0 300.358 2.449 20 10 DECDRO CNC(=O)CCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000093717293 402019844 /nfs/dbraw/zinc/01/98/44/402019844.db2.gz YLAJTPLUDFMRAE-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(O)c1 ZINC000093809080 402020453 /nfs/dbraw/zinc/02/04/53/402020453.db2.gz YWPACJHUQYYECA-CYBMUJFWSA-N 1 0 306.406 2.268 20 10 DECDRO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121292599 402026061 /nfs/dbraw/zinc/02/60/61/402026061.db2.gz SVQHRGVHLOAHLN-UHFFFAOYSA-N 1 0 314.433 2.197 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCOC1 ZINC000151565341 402043861 /nfs/dbraw/zinc/04/38/61/402043861.db2.gz LWMYYEQVBZPVQZ-YJBOKZPZSA-N 1 0 318.461 2.410 20 10 DECDRO CCOCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000152296892 402087627 /nfs/dbraw/zinc/08/76/27/402087627.db2.gz ZBRIRAGDGKIZDI-UHFFFAOYSA-N 1 0 301.770 2.057 20 10 DECDRO Oc1ccccc1C[N@H+](CCn1ccnc1)C[C@H]1CCCO1 ZINC000123510491 402131445 /nfs/dbraw/zinc/13/14/45/402131445.db2.gz DWNUEXNLURBWFZ-MRXNPFEDSA-N 1 0 301.390 2.270 20 10 DECDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000070976685 402268664 /nfs/dbraw/zinc/26/86/64/402268664.db2.gz PHNVBFSNVGIMOE-MRXNPFEDSA-N 1 0 301.390 2.307 20 10 DECDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000186102706 402402000 /nfs/dbraw/zinc/40/20/00/402402000.db2.gz BTMBHQWRPLYINW-STQMWFEESA-N 1 0 316.405 2.104 20 10 DECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000179129675 402574544 /nfs/dbraw/zinc/57/45/44/402574544.db2.gz CZIGMBWFROSUMP-CYBMUJFWSA-N 1 0 309.337 2.261 20 10 DECDRO CCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179662686 402597760 /nfs/dbraw/zinc/59/77/60/402597760.db2.gz VDKKMXVPUUDUPF-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000179755725 402599768 /nfs/dbraw/zinc/59/97/68/402599768.db2.gz YNMASQIROPXHKJ-LBPRGKRZSA-N 1 0 303.362 2.472 20 10 DECDRO O=C1NCCN(Cc2cc(F)ccc2O)[C@@H]1c1ccccc1 ZINC000180014533 402605165 /nfs/dbraw/zinc/60/51/65/402605165.db2.gz UMKXBKULBKQFDT-MRXNPFEDSA-N 1 0 300.333 2.204 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000180484232 402617864 /nfs/dbraw/zinc/61/78/64/402617864.db2.gz WYERDWIEAJWANG-INIZCTEOSA-N 1 0 300.358 2.449 20 10 DECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000192500221 402733061 /nfs/dbraw/zinc/73/30/61/402733061.db2.gz NKIYRSPTEBAUHX-GUYCJALGSA-N 1 0 322.424 2.301 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183620960 402782576 /nfs/dbraw/zinc/78/25/76/402782576.db2.gz PUHWADRYFJCZCL-ZDUSSCGKSA-N 1 0 306.406 2.070 20 10 DECDRO C=Cn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000193639266 402774221 /nfs/dbraw/zinc/77/42/21/402774221.db2.gz UERMZVWYIYRNGU-UHFFFAOYSA-N 1 0 312.417 2.452 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2F)CC1 ZINC000175700893 402825495 /nfs/dbraw/zinc/82/54/95/402825495.db2.gz MWGUUTZIBPQTAJ-UHFFFAOYSA-N 1 0 303.381 2.405 20 10 DECDRO COc1c(O)c(CN2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278253343 402862373 /nfs/dbraw/zinc/86/23/73/402862373.db2.gz PMXJKDDSGOGDQA-UHFFFAOYSA-N 1 0 323.393 2.083 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNc3ncccn3)cc2F)CC1 ZINC000264430560 402877553 /nfs/dbraw/zinc/87/75/53/402877553.db2.gz UGIMIFXYVZZJLP-UHFFFAOYSA-N 1 0 315.396 2.370 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000271793689 402884439 /nfs/dbraw/zinc/88/44/39/402884439.db2.gz JRHWDJFCWQKTIB-LBPRGKRZSA-N 1 0 302.378 2.207 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000280192824 402973692 /nfs/dbraw/zinc/97/36/92/402973692.db2.gz AXCBXQYYQADCDC-XIRDDKMYSA-N 1 0 306.450 2.438 20 10 DECDRO CC1=CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000280710258 403028912 /nfs/dbraw/zinc/02/89/12/403028912.db2.gz DNGRWHWGKXQMRH-UHFFFAOYSA-N 1 0 301.434 2.363 20 10 DECDRO COC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280306226 402985898 /nfs/dbraw/zinc/98/58/98/402985898.db2.gz OLQMJYXBNUJJGJ-CYBMUJFWSA-N 1 0 320.355 2.258 20 10 DECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(F)ccc1O ZINC000280941125 403052236 /nfs/dbraw/zinc/05/22/36/403052236.db2.gz ISPMBBQPJVUVPR-SNVBAGLBSA-N 1 0 301.383 2.149 20 10 DECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281205315 403060758 /nfs/dbraw/zinc/06/07/58/403060758.db2.gz SGYQKQFADMJYIZ-ZDUSSCGKSA-N 1 0 310.463 2.371 20 10 DECDRO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269045966 403123043 /nfs/dbraw/zinc/12/30/43/403123043.db2.gz NJAOOIDBOZTFLQ-DLBZAZTESA-N 1 0 323.433 2.159 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1F ZINC000276779288 403193274 /nfs/dbraw/zinc/19/32/74/403193274.db2.gz JAXZKWHPSXWYRO-AWEZNQCLSA-N 1 0 305.397 2.088 20 10 DECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284993183 403276771 /nfs/dbraw/zinc/27/67/71/403276771.db2.gz COGHARLSPBCPBR-OCCSQVGLSA-N 1 0 304.390 2.180 20 10 DECDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000292270979 403340359 /nfs/dbraw/zinc/34/03/59/403340359.db2.gz SFWURZRNXRSEEQ-KBXCAEBGSA-N 1 0 311.429 2.500 20 10 DECDRO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000292270988 403340453 /nfs/dbraw/zinc/34/04/53/403340453.db2.gz SFWURZRNXRSEEQ-KSSFIOAISA-N 1 0 311.429 2.500 20 10 DECDRO CCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000292733199 403376173 /nfs/dbraw/zinc/37/61/73/403376173.db2.gz GQEHJVZIDKEEHG-UHFFFAOYSA-N 1 0 321.333 2.458 20 10 DECDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000293519527 403493268 /nfs/dbraw/zinc/49/32/68/403493268.db2.gz ATXBZLHOCYRDOQ-YOEHRIQHSA-N 1 0 322.474 2.342 20 10 DECDRO Oc1cc2c(cc1CN1C[C@]3(CCCO3)[C@@H]1C1CC1)OCO2 ZINC000294214143 403674055 /nfs/dbraw/zinc/67/40/55/403674055.db2.gz YKKVJJKJILCEOQ-DLBZAZTESA-N 1 0 303.358 2.264 20 10 DECDRO C[C@H](CCNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCCC1 ZINC000294992074 403740181 /nfs/dbraw/zinc/74/01/81/403740181.db2.gz QSFIVYPIODETJP-LLVKDONJSA-N 1 0 310.369 2.231 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccccc1O ZINC000295106762 403762447 /nfs/dbraw/zinc/76/24/47/403762447.db2.gz LBQAXLGUALALOZ-NHAGDIPZSA-N 1 0 304.390 2.347 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](CO)SC)CC2)cc1 ZINC000305138111 403847323 /nfs/dbraw/zinc/84/73/23/403847323.db2.gz PFFOIHSSBXUOGE-CXAGYDPISA-N 1 0 324.490 2.366 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)cc2)CC1 ZINC000296147985 404115639 /nfs/dbraw/zinc/11/56/39/404115639.db2.gz XTKBMHUGCAMIRH-WBVHZDCISA-N 1 0 318.461 2.362 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000350058409 404308392 /nfs/dbraw/zinc/30/83/92/404308392.db2.gz DZGYBGNXXOCOJI-UHFFFAOYSA-N 1 0 314.433 2.334 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000291020728 404371466 /nfs/dbraw/zinc/37/14/66/404371466.db2.gz DIYWXOMBBHJHNB-UHFFFAOYSA-N 1 0 306.406 2.241 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000471737291 406113455 /nfs/dbraw/zinc/11/34/55/406113455.db2.gz PATBLNPASSIVRA-CQSZACIVSA-N 1 0 314.433 2.380 20 10 DECDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000172072129 224755052 /nfs/dbraw/zinc/75/50/52/224755052.db2.gz VKEPNJZXJYTHII-CYBMUJFWSA-N 1 0 318.211 2.032 20 10 DECDRO COc1cccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000227689187 225208926 /nfs/dbraw/zinc/20/89/26/225208926.db2.gz GYIQVQYGPSXRGK-NSHDSACASA-N 1 0 310.394 2.404 20 10 DECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295853493 225313041 /nfs/dbraw/zinc/31/30/41/225313041.db2.gz DZCJOWDLHHUYLP-XGWLTEMNSA-N 1 0 308.397 2.226 20 10 DECDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000278606839 225479626 /nfs/dbraw/zinc/47/96/26/225479626.db2.gz IIHNQAYIZQTUOD-MAUKXSAKSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1[O-] ZINC000368330411 227008792 /nfs/dbraw/zinc/00/87/92/227008792.db2.gz VWPOXEJDURMZJQ-UKRRQHHQSA-N 1 0 321.440 2.350 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377241279 227185125 /nfs/dbraw/zinc/18/51/25/227185125.db2.gz QDXVZKMJPWIXNB-ROUUACIJSA-N 1 0 316.445 2.382 20 10 DECDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377887170 227204385 /nfs/dbraw/zinc/20/43/85/227204385.db2.gz DCILECXGYDMDLE-OAHLLOKOSA-N 1 0 301.434 2.387 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000834896615 649858770 /nfs/dbraw/zinc/85/87/70/649858770.db2.gz LXMCZFJOPJQHRA-NQBHXWOUSA-N 1 0 305.296 2.211 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000834906856 649859009 /nfs/dbraw/zinc/85/90/09/649859009.db2.gz IGGQJXCEFIQOFO-BZPMIXESSA-N 1 0 310.825 2.351 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000279465144 278262993 /nfs/dbraw/zinc/26/29/93/278262993.db2.gz RNNAOVDLIMVRQC-AWEZNQCLSA-N 1 0 309.429 2.044 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000186375614 280978048 /nfs/dbraw/zinc/97/80/48/280978048.db2.gz PFVNZPFDYRRECQ-UONOGXRCSA-N 1 0 307.390 2.273 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC[NH+](C)C ZINC000562477778 332597219 /nfs/dbraw/zinc/59/72/19/332597219.db2.gz WLMYALXBQRVJNQ-UHFFFAOYSA-N 1 0 305.422 2.210 20 10 DECDRO CC1(C)[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]2CCCO[C@@H]21 ZINC000360035891 337084186 /nfs/dbraw/zinc/08/41/86/337084186.db2.gz LJQXUCPSDRSAHV-XZJROXQQSA-N 1 0 305.374 2.414 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001358167283 1152368020 /nfs/dbraw/zinc/36/80/20/1152368020.db2.gz GANJRFOQOAZVRW-XHBSWPGZSA-N 1 0 306.381 2.316 20 10 DECDRO CC(C)C(=O)NCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835030239 649869146 /nfs/dbraw/zinc/86/91/46/649869146.db2.gz VWPSRSABPHCLOS-VOTSOKGWSA-N 1 0 303.450 2.470 20 10 DECDRO CC(C)COC[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034845 649869429 /nfs/dbraw/zinc/86/94/29/649869429.db2.gz FQSYGPWQMOEWAI-XFHJGTJQSA-N 1 0 306.450 2.389 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000835033303 649869634 /nfs/dbraw/zinc/86/96/34/649869634.db2.gz FFCPTIWWNRBFSW-WAYWQWQTSA-N 1 0 317.477 2.466 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@](C)(O)CCOC)ccc1OC ZINC000265211728 520186317 /nfs/dbraw/zinc/18/63/17/520186317.db2.gz DQXBVKZLJCRSPO-QGZVFWFLSA-N 1 0 311.422 2.109 20 10 DECDRO CCOc1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000129755397 521340163 /nfs/dbraw/zinc/34/01/63/521340163.db2.gz BKEWFAFJLINTNX-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1F ZINC000264990862 522210046 /nfs/dbraw/zinc/21/00/46/522210046.db2.gz XCPOAZDJGPVSCT-UHFFFAOYSA-N 1 0 309.429 2.092 20 10 DECDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151591182 522261163 /nfs/dbraw/zinc/26/11/63/522261163.db2.gz TXEFJDSPFDMNPT-QGZVFWFLSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000130055297 524098028 /nfs/dbraw/zinc/09/80/28/524098028.db2.gz HUPZTUPDJDLFQC-HNNXBMFYSA-N 1 0 312.417 2.219 20 10 DECDRO COc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000182658106 524748473 /nfs/dbraw/zinc/74/84/73/524748473.db2.gz AACGVXMIVQYQBM-UHFFFAOYSA-N 1 0 308.422 2.431 20 10 DECDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161448306 525401059 /nfs/dbraw/zinc/40/10/59/525401059.db2.gz AJCDUTKDAHXHBA-CQSZACIVSA-N 1 0 321.440 2.407 20 10 DECDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000189837795 525452743 /nfs/dbraw/zinc/45/27/43/525452743.db2.gz CTWJGINYKZNVDX-CYBMUJFWSA-N 1 0 314.376 2.456 20 10 DECDRO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1O ZINC000266463903 525994568 /nfs/dbraw/zinc/99/45/68/525994568.db2.gz RBFUMXIMMZJFMX-CYBMUJFWSA-N 1 0 306.406 2.282 20 10 DECDRO Nc1ccc(CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261650403 527219359 /nfs/dbraw/zinc/21/93/59/527219359.db2.gz GHZZYIYZBZOJIK-AEFFLSMTSA-N 1 0 309.413 2.012 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000374272513 528656100 /nfs/dbraw/zinc/65/61/00/528656100.db2.gz QYMURUAGVNRRPQ-RHSMWYFYSA-N 1 0 307.390 2.219 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000835052537 649872256 /nfs/dbraw/zinc/87/22/56/649872256.db2.gz FUPKLJKHBNAQBA-WMHVBEDNSA-N 1 0 322.474 2.180 20 10 DECDRO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC001355301369 1152000943 /nfs/dbraw/zinc/00/09/43/1152000943.db2.gz GVGZBNDJRHDRES-MRXNPFEDSA-N 1 0 302.418 2.482 20 10 DECDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000188165090 625443085 /nfs/dbraw/zinc/44/30/85/625443085.db2.gz XAIRTGUAUWNTRH-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1O ZINC000776252527 625571835 /nfs/dbraw/zinc/57/18/35/625571835.db2.gz DLSZIFFIUFCICU-GFCCVEGCSA-N 1 0 303.811 2.021 20 10 DECDRO Cn1nccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160194948 622578803 /nfs/dbraw/zinc/57/88/03/622578803.db2.gz RCDMTQZYLQKLGQ-INIZCTEOSA-N 1 0 301.390 2.307 20 10 DECDRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123647970 625585003 /nfs/dbraw/zinc/58/50/03/625585003.db2.gz RWGLRUAQDZOSJU-HUUCEWRRSA-N 1 0 319.449 2.089 20 10 DECDRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123647623 625585034 /nfs/dbraw/zinc/58/50/34/625585034.db2.gz RWGLRUAQDZOSJU-LSDHHAIUSA-N 1 0 319.449 2.089 20 10 DECDRO COc1ccc(C[NH2+]CCc2ccccc2O)c(O)c1OC ZINC000892786144 625603233 /nfs/dbraw/zinc/60/32/33/625603233.db2.gz CVTNMIYJDRCKEI-UHFFFAOYSA-N 1 0 303.358 2.447 20 10 DECDRO Cc1cc(O)c(CN2CCN(c3cnn(C)c3)CC2)c(Cl)c1 ZINC000840914603 625625689 /nfs/dbraw/zinc/62/56/89/625625689.db2.gz DBELHEXLABUNHE-UHFFFAOYSA-N 1 0 320.824 2.410 20 10 DECDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160338445 623586580 /nfs/dbraw/zinc/58/65/80/623586580.db2.gz RBCYDKWWASYHCN-KRWDZBQOSA-N 1 0 307.365 2.358 20 10 DECDRO CS[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251293 623797680 /nfs/dbraw/zinc/79/76/80/623797680.db2.gz BPZLMCUEXRWBPP-DOMZBBRYSA-N 1 0 309.479 2.223 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)c2)[NH+](C)C)cc1 ZINC000891252689 623798234 /nfs/dbraw/zinc/79/82/34/623798234.db2.gz MKJWVEZMEDCRAK-QGZVFWFLSA-N 1 0 314.433 2.124 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2cccn2C)[NH+](C)C)cc1 ZINC000891255659 623805340 /nfs/dbraw/zinc/80/53/40/623805340.db2.gz QWBDYWWZCGLATJ-KRWDZBQOSA-N 1 0 314.433 2.124 20 10 DECDRO CN(C)c1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931286779 625700124 /nfs/dbraw/zinc/70/01/24/625700124.db2.gz JPOBTDBXZKQDMN-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1F ZINC000891534829 624471495 /nfs/dbraw/zinc/47/14/95/624471495.db2.gz QMEZLFLZWIVTQM-TZMCWYRMSA-N 1 0 322.428 2.303 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000893018132 625053578 /nfs/dbraw/zinc/05/35/78/625053578.db2.gz FEVPXJSGEWYSSD-LLVKDONJSA-N 1 0 309.797 2.082 20 10 DECDRO C[C@H]([NH2+]CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 ZINC000893044077 625074572 /nfs/dbraw/zinc/07/45/72/625074572.db2.gz CWUYQCMLRNWSFG-QWRGUYRKSA-N 1 0 320.505 2.038 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)C2CCCCC2)c(O)c1OC ZINC000893082527 625100102 /nfs/dbraw/zinc/10/01/02/625100102.db2.gz AAYYPGHETBPVOQ-AWEZNQCLSA-N 1 0 309.406 2.440 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892552903 625143396 /nfs/dbraw/zinc/14/33/96/625143396.db2.gz FOAJWEVJOAEXLW-OTVXOJSOSA-N 1 0 305.422 2.441 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCC[C@@H](C)C2)c(O)c1OC ZINC000892574487 625161776 /nfs/dbraw/zinc/16/17/76/625161776.db2.gz KRVOMUOREYCGDF-CYBMUJFWSA-N 1 0 308.422 2.231 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C)C2)cc1C ZINC001019960237 625864123 /nfs/dbraw/zinc/86/41/23/625864123.db2.gz QXPLPXGVRCYUEU-VCOSZWKGSA-N 1 0 302.418 2.396 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000840933987 634779979 /nfs/dbraw/zinc/77/99/79/634779979.db2.gz LJXWOJODEMQPEX-ROUUACIJSA-N 1 0 303.450 2.014 20 10 DECDRO CC1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000893398500 633339978 /nfs/dbraw/zinc/33/99/78/633339978.db2.gz XZEIVALVPGAGJS-PGEKIEPBSA-N 1 0 318.465 2.453 20 10 DECDRO CC(C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccnn1C ZINC000788074716 633565875 /nfs/dbraw/zinc/56/58/75/633565875.db2.gz DDCXKVOUHLPHQL-CYBMUJFWSA-N 1 0 317.389 2.384 20 10 DECDRO CC1([NH+]2CCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000922171769 635964812 /nfs/dbraw/zinc/96/48/12/635964812.db2.gz MGWXEIOFISGYJQ-GQCTYLIASA-N 1 0 316.401 2.198 20 10 DECDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922187163 635978748 /nfs/dbraw/zinc/97/87/48/635978748.db2.gz ZTTSWQQJLLFQTG-UHFFFAOYSA-N 1 0 304.434 2.212 20 10 DECDRO COCCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894146748 636299394 /nfs/dbraw/zinc/29/93/94/636299394.db2.gz VRDNAHIKLKFEKD-UHFFFAOYSA-N 1 0 308.353 2.230 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc1OC ZINC000922725061 636347938 /nfs/dbraw/zinc/34/79/38/636347938.db2.gz 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/nfs/dbraw/zinc/28/50/62/637285062.db2.gz NRGXLDHEGIKRIY-LBPRGKRZSA-N 1 0 304.312 2.234 20 10 DECDRO CC[C@@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@H](C)O ZINC000894906237 637322206 /nfs/dbraw/zinc/32/22/06/637322206.db2.gz YHTYKCQAKFRXFW-IINYFYTJSA-N 1 0 322.380 2.353 20 10 DECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000320137233 637726943 /nfs/dbraw/zinc/72/69/43/637726943.db2.gz DVKZYQIHFTXJSB-MRXNPFEDSA-N 1 0 324.808 2.206 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000895231271 637810830 /nfs/dbraw/zinc/81/08/30/637810830.db2.gz QPLBOWJQSMDKEG-OAHLLOKOSA-N 1 0 309.406 2.240 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[S@@](=O)C(F)(F)F)c1 ZINC000895256723 637854555 /nfs/dbraw/zinc/85/45/55/637854555.db2.gz IJOQZHKPSZVNJK-ZPWHCFADSA-N 1 0 311.325 2.320 20 10 DECDRO COc1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c(O)c1OC ZINC000895321477 637924930 /nfs/dbraw/zinc/92/49/30/637924930.db2.gz QSPIBGASWCNPTN-QGZVFWFLSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000840913663 650377886 /nfs/dbraw/zinc/37/78/86/650377886.db2.gz ZRRAJSJLAOIRKA-IRXDYDNUSA-N 1 0 301.434 2.304 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1C ZINC000895341581 637946319 /nfs/dbraw/zinc/94/63/19/637946319.db2.gz IZNFKWIAAXUTMA-INIZCTEOSA-N 1 0 317.433 2.389 20 10 DECDRO CNC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840930932 650387825 /nfs/dbraw/zinc/38/78/25/650387825.db2.gz PYNNMHUUNNHROG-UHFFFAOYSA-N 1 0 303.450 2.455 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(C(F)(F)F)c1 ZINC000895652703 638137950 /nfs/dbraw/zinc/13/79/50/638137950.db2.gz JIPXLYVPABIMKK-BXUZGUMPSA-N 1 0 300.324 2.338 20 10 DECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000895697216 638154825 /nfs/dbraw/zinc/15/48/25/638154825.db2.gz VBQAELOLQLJJTN-GTNSWQLSSA-N 1 0 323.389 2.040 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](O)C(C)C ZINC000840967961 650396982 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COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c1O ZINC000896308727 638460289 /nfs/dbraw/zinc/46/02/89/638460289.db2.gz IGFVTAGPPHEWBW-JTQLQIEISA-N 1 0 312.797 2.012 20 10 DECDRO Oc1cc2c(cc1CN1CC[NH2+]C[C@H]1c1ccccc1)OCO2 ZINC000841101069 650431343 /nfs/dbraw/zinc/43/13/43/650431343.db2.gz NKWWILYKJGVRSM-HNNXBMFYSA-N 1 0 312.369 2.267 20 10 DECDRO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3[O-])CC2)C1 ZINC000841104066 650431976 /nfs/dbraw/zinc/43/19/76/650431976.db2.gz MYFDALYZQBWBIF-GOEBONIOSA-N 1 0 308.397 2.250 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1O ZINC000896621712 638610880 /nfs/dbraw/zinc/61/08/80/638610880.db2.gz CSQNEEJZXPDIDA-UHFFFAOYSA-N 1 0 321.417 2.121 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000749126075 638616691 /nfs/dbraw/zinc/61/66/91/638616691.db2.gz LIURNOUWKHXRPC-CZUORRHYSA-N 1 0 301.434 2.276 20 10 DECDRO CCN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1=O ZINC000896733321 638655678 /nfs/dbraw/zinc/65/56/78/638655678.db2.gz JOYDWETXWWRWDN-LBPRGKRZSA-N 1 0 312.797 2.155 20 10 DECDRO O=C1N[C@H](C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CO1 ZINC000897023032 639135608 /nfs/dbraw/zinc/13/56/08/639135608.db2.gz CCFXQMLIAQTZMK-ZDUSSCGKSA-N 1 0 310.781 2.366 20 10 DECDRO Cc1cc(Cl)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC000753587635 639317545 /nfs/dbraw/zinc/31/75/45/639317545.db2.gz PPVLVXIQVNNZSE-UHFFFAOYSA-N 1 0 310.781 2.428 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000754131293 639392304 /nfs/dbraw/zinc/39/23/04/639392304.db2.gz VAXKKNVBLFPPTM-IRXDYDNUSA-N 1 0 317.477 2.453 20 10 DECDRO CN(C)C(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788021097 639614530 /nfs/dbraw/zinc/61/45/30/639614530.db2.gz XQFPPQACGTUDHG-MRXNPFEDSA-N 1 0 320.433 2.242 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000756113314 639627028 /nfs/dbraw/zinc/62/70/28/639627028.db2.gz GZWYYMKLIGMSFG-RDTXWAMCSA-N 1 0 303.450 2.204 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000756370150 639655572 /nfs/dbraw/zinc/65/55/72/639655572.db2.gz IGXKOUDMUZIZSK-NXEZZACHSA-N 1 0 303.811 2.131 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)[C@H]2C)cc1C ZINC000985850663 639664312 /nfs/dbraw/zinc/66/43/12/639664312.db2.gz UZMLQZAVQWUNOY-XJKSGUPXSA-N 1 0 302.418 2.493 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)[C@@H]2C)cc1C ZINC000985859730 639667291 /nfs/dbraw/zinc/66/72/91/639667291.db2.gz LNVKAOSPYWLQAB-YPMHNXCESA-N 1 0 312.360 2.348 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Cl)ccc1O ZINC000756639630 639680916 /nfs/dbraw/zinc/68/09/16/639680916.db2.gz BDHSPLUJWDUVHR-VIFPVBQESA-N 1 0 305.765 2.390 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(NC(=O)NC)CC2)cc1 ZINC000839667783 639786723 /nfs/dbraw/zinc/78/67/23/639786723.db2.gz ZITBKYOCTOCPQF-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1 ZINC000839639570 639788418 /nfs/dbraw/zinc/78/84/18/639788418.db2.gz AROPZPZTBKYMJD-MOPGFXCFSA-N 1 0 323.440 2.454 20 10 DECDRO CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000841654959 650530296 /nfs/dbraw/zinc/53/02/96/650530296.db2.gz QQTDMMXAEKWEDG-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729040848 639954720 /nfs/dbraw/zinc/95/47/20/639954720.db2.gz IWVRHZOIOSTBQU-ZDUSSCGKSA-N 1 0 323.437 2.493 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000841719107 650551157 /nfs/dbraw/zinc/55/11/57/650551157.db2.gz DPIQDUQIBJSESC-OAHLLOKOSA-N 1 0 304.438 2.036 20 10 DECDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794355 650565392 /nfs/dbraw/zinc/56/53/92/650565392.db2.gz WUHXKBLJFMTXHD-UHFFFAOYSA-N 1 0 318.465 2.332 20 10 DECDRO CN(C)C(=O)N1CC[N@H+](Cc2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000761226298 640287627 /nfs/dbraw/zinc/28/76/27/640287627.db2.gz OEARIOBXNFTPNJ-UHFFFAOYSA-N 1 0 318.465 2.330 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc1F ZINC000841797911 650566769 /nfs/dbraw/zinc/56/67/69/650566769.db2.gz CFFYLBPPJRUWEQ-LBPRGKRZSA-N 1 0 310.417 2.066 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841827121 650573199 /nfs/dbraw/zinc/57/31/99/650573199.db2.gz LSAXWVTVOQYLJS-UHFFFAOYSA-N 1 0 318.465 2.472 20 10 DECDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000841831204 650574827 /nfs/dbraw/zinc/57/48/27/650574827.db2.gz CTVOUUQSKRYCDJ-MRXNPFEDSA-N 1 0 314.433 2.004 20 10 DECDRO O=C(NCCCSc1nccs1)NC[C@@H]1CCCC[NH2+]1 ZINC000841858380 650582523 /nfs/dbraw/zinc/58/25/23/650582523.db2.gz XNQSZBJLPPHQJM-NSHDSACASA-N 1 0 314.480 2.067 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c(O)c1OC ZINC000897501431 640504899 /nfs/dbraw/zinc/50/48/99/640504899.db2.gz UEFMVSHQTGUDCP-KGLIPLIRSA-N 1 0 307.390 2.457 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2cc(F)ncn2)[NH+](C)C)cc1 ZINC000897523927 640543116 /nfs/dbraw/zinc/54/31/16/640543116.db2.gz ZQOBDNXJCDXMNC-CQSZACIVSA-N 1 0 303.385 2.397 20 10 DECDRO COc1cc(O)c(C[NH2+]CC2(C3(O)CCC3)CC2)cc1OC ZINC000897529058 640612750 /nfs/dbraw/zinc/61/27/50/640612750.db2.gz UNENALFEAVIVDQ-UHFFFAOYSA-N 1 0 307.390 2.194 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC2CC[NH2+]CC2)C2CC2)cc1 ZINC000841916310 650601895 /nfs/dbraw/zinc/60/18/95/650601895.db2.gz UENAYNMMRQRMRE-UHFFFAOYSA-N 1 0 316.449 2.179 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC1CC[NH2+]CC1 ZINC000841924081 650603380 /nfs/dbraw/zinc/60/33/80/650603380.db2.gz SLSBMSPPSXKHFA-UHFFFAOYSA-N 1 0 305.422 2.313 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000841949010 650609639 /nfs/dbraw/zinc/60/96/39/650609639.db2.gz YFGPDMIBDLLMJO-KRWDZBQOSA-N 1 0 318.465 2.412 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841950199 650609766 /nfs/dbraw/zinc/60/97/66/650609766.db2.gz FZPUKQPTJUMATL-CQSZACIVSA-N 1 0 319.449 2.444 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841951331 650610281 /nfs/dbraw/zinc/61/02/81/650610281.db2.gz HTMMSQOXUZBCDI-NSHDSACASA-N 1 0 309.410 2.279 20 10 DECDRO COc1ccc(C[NH2+]CC2CCC3(CC2)OCCO3)c(O)c1 ZINC000766224210 640861138 /nfs/dbraw/zinc/86/11/38/640861138.db2.gz MPMFIZPKBNVRDT-UHFFFAOYSA-N 1 0 307.390 2.424 20 10 DECDRO C[C@@H](C[NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841963938 650614337 /nfs/dbraw/zinc/61/43/37/650614337.db2.gz XTGKBMYIWCMLFS-ZDUSSCGKSA-N 1 0 317.389 2.292 20 10 DECDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841988360 650620089 /nfs/dbraw/zinc/62/00/89/650620089.db2.gz UUDGQUJKJHDCDK-MLGOLLRUSA-N 1 0 317.433 2.068 20 10 DECDRO CC(C)[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768139370 641054642 /nfs/dbraw/zinc/05/46/42/641054642.db2.gz ZTRIUZWQISUCFI-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1OC ZINC000768444717 641082246 /nfs/dbraw/zinc/08/22/46/641082246.db2.gz BPZQOVHBGLZBSC-ZDUSSCGKSA-N 1 0 323.389 2.137 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1OC ZINC000768444716 641082405 /nfs/dbraw/zinc/08/24/05/641082405.db2.gz BPZQOVHBGLZBSC-CYBMUJFWSA-N 1 0 323.389 2.137 20 10 DECDRO COc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000768447167 641082427 /nfs/dbraw/zinc/08/24/27/641082427.db2.gz MVIBYSXEEMYJAS-AWEZNQCLSA-N 1 0 306.406 2.078 20 10 DECDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCS(=O)(=O)C1 ZINC000768445074 641082581 /nfs/dbraw/zinc/08/25/81/641082581.db2.gz DZIFCGIXYLYYAU-ZDUSSCGKSA-N 1 0 323.458 2.138 20 10 DECDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464472 641084508 /nfs/dbraw/zinc/08/45/08/641084508.db2.gz SKSNHHASTPDXLP-OAHLLOKOSA-N 1 0 322.792 2.442 20 10 DECDRO C[C@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842008965 650626190 /nfs/dbraw/zinc/62/61/90/650626190.db2.gz YJWCQCIHQLBASU-STQMWFEESA-N 1 0 317.389 2.433 20 10 DECDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769234151 641200683 /nfs/dbraw/zinc/20/06/83/641200683.db2.gz YFBBTSDYZTVFSU-SFHVURJKSA-N 1 0 317.477 2.486 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(O)c1 ZINC000769306372 641214114 /nfs/dbraw/zinc/21/41/14/641214114.db2.gz SNZWRJCOTVVNJN-AWEZNQCLSA-N 1 0 307.390 2.376 20 10 DECDRO CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989839270 641247383 /nfs/dbraw/zinc/24/73/83/641247383.db2.gz XGPVFCAVGYPTQK-GXFFZTMASA-N 1 0 303.366 2.062 20 10 DECDRO Cc1nc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]c1C ZINC000898448474 641660667 /nfs/dbraw/zinc/66/06/67/641660667.db2.gz UENUMPQLCDIAMA-QGZVFWFLSA-N 1 0 315.465 2.485 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c(O)c1C ZINC000927143778 641763512 /nfs/dbraw/zinc/76/35/12/641763512.db2.gz HBEWNVUTXBTIJP-STQMWFEESA-N 1 0 300.406 2.346 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Cl)ccc1O ZINC000927146371 641774087 /nfs/dbraw/zinc/77/40/87/641774087.db2.gz NQTQUTJJFSOJEI-GXSJLCMTSA-N 1 0 306.797 2.382 20 10 DECDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000775347766 642033910 /nfs/dbraw/zinc/03/39/10/642033910.db2.gz FZKIDKQIWMWFHS-OCCSQVGLSA-N 1 0 322.405 2.357 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nccn1C ZINC000775378460 642036265 /nfs/dbraw/zinc/03/62/65/642036265.db2.gz JVDVIWYNTJIRED-KRWDZBQOSA-N 1 0 314.433 2.498 20 10 DECDRO C[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000775832995 642102855 /nfs/dbraw/zinc/10/28/55/642102855.db2.gz DWTDYNZAXQQEAU-KBPBESRZSA-N 1 0 310.463 2.228 20 10 DECDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000778216928 642354910 /nfs/dbraw/zinc/35/49/10/642354910.db2.gz RVMMVSYGWVGJBJ-RDJZCZTQSA-N 1 0 322.424 2.303 20 10 DECDRO C[NH2+]CCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000842509376 650756928 /nfs/dbraw/zinc/75/69/28/650756928.db2.gz JDYCITXXTPMORW-UHFFFAOYSA-N 1 0 300.406 2.171 20 10 DECDRO C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000781161746 642721836 /nfs/dbraw/zinc/72/18/36/642721836.db2.gz UGPMJLMNUDJXFM-CQSZACIVSA-N 1 0 316.449 2.202 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ncccn3)C1)CCC2 ZINC000842616843 650782994 /nfs/dbraw/zinc/78/29/94/650782994.db2.gz XHQVCMBAGMNRQA-MRXNPFEDSA-N 1 0 310.401 2.357 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](CO)C2CCOCC2)ccc1OC ZINC000782389923 642875669 /nfs/dbraw/zinc/87/56/69/642875669.db2.gz XZSIESGWEYNOCP-KRWDZBQOSA-N 1 0 323.433 2.109 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000782628372 642908942 /nfs/dbraw/zinc/90/89/42/642908942.db2.gz LYQLNCYYCSBWTI-UHFFFAOYSA-N 1 0 318.465 2.345 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000782980752 642949789 /nfs/dbraw/zinc/94/97/89/642949789.db2.gz WWOJKKFBUBTOGR-RKDXNWHRSA-N 1 0 318.211 2.412 20 10 DECDRO CC1(C)C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)O1 ZINC000785515844 643243635 /nfs/dbraw/zinc/24/36/35/643243635.db2.gz XCIFFDFRNSLZME-AWEZNQCLSA-N 1 0 307.390 2.207 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000786825568 643414693 /nfs/dbraw/zinc/41/46/93/643414693.db2.gz WIEGJELQUKHTRP-UHFFFAOYSA-N 1 0 310.463 2.057 20 10 DECDRO CCOc1ccc(CN2CCc3sc(C[NH3+])nc3C2)c(O)c1 ZINC000903941250 643523474 /nfs/dbraw/zinc/52/34/74/643523474.db2.gz UEYQTMUKNYGVKD-UHFFFAOYSA-N 1 0 319.430 2.264 20 10 DECDRO CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903982147 643535334 /nfs/dbraw/zinc/53/53/34/643535334.db2.gz LWTLMTFYKVOGAW-KBPBESRZSA-N 1 0 301.356 2.464 20 10 DECDRO C[NH+](C)CC1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000788305418 643592587 /nfs/dbraw/zinc/59/25/87/643592587.db2.gz ANGILLQDXZNUPB-UHFFFAOYSA-N 1 0 310.369 2.087 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000788377567 643602036 /nfs/dbraw/zinc/60/20/36/643602036.db2.gz KBBQQNUNUXBBCK-HNNXBMFYSA-N 1 0 318.461 2.424 20 10 DECDRO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000905133938 643806823 /nfs/dbraw/zinc/80/68/23/643806823.db2.gz MRWLLIWPMYZAAL-GOSISDBHSA-N 1 0 316.445 2.209 20 10 DECDRO C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843049646 650877154 /nfs/dbraw/zinc/87/71/54/650877154.db2.gz PXGHCYBRUCRALS-UHFFFAOYSA-N 1 0 313.785 2.385 20 10 DECDRO C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000843050849 650877582 /nfs/dbraw/zinc/87/75/82/650877582.db2.gz AIDWSQGBJYEVEG-CRAIPNDOSA-N 1 0 303.450 2.082 20 10 DECDRO C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C[NH3+] ZINC000843052883 650878639 /nfs/dbraw/zinc/87/86/39/650878639.db2.gz XNXZHEMWBXXVMN-KSSFIOAISA-N 1 0 321.440 2.222 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000843058119 650880092 /nfs/dbraw/zinc/88/00/92/650880092.db2.gz PSKFJIDHESSPEE-YJBOKZPZSA-N 1 0 303.450 2.225 20 10 DECDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000843118285 650899555 /nfs/dbraw/zinc/89/95/55/650899555.db2.gz XLZCIDHWFVFUBM-QGZVFWFLSA-N 1 0 313.401 2.332 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000793363972 644239560 /nfs/dbraw/zinc/23/95/60/644239560.db2.gz ZSRINYZSYVOLLA-DYVFJYSZSA-N 1 0 307.390 2.171 20 10 DECDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000796506449 644746872 /nfs/dbraw/zinc/74/68/72/644746872.db2.gz OPJQLSJVGNTBOJ-UHFFFAOYSA-N 1 0 305.422 2.321 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N(C)OC)cc1 ZINC000799106311 645125750 /nfs/dbraw/zinc/12/57/50/645125750.db2.gz BVYQYMSXNRPVSM-UHFFFAOYSA-N 1 0 307.438 2.375 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843485569 650982615 /nfs/dbraw/zinc/98/26/15/650982615.db2.gz MMEOBNQJTNUVQV-QGZVFWFLSA-N 1 0 307.413 2.191 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC3([S@](C)=O)CC3)CC2)cc1 ZINC000799727519 645214078 /nfs/dbraw/zinc/21/40/78/645214078.db2.gz NDPPQCNYQBGCHC-QFIPXVFZSA-N 1 0 322.474 2.165 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000839919108 645299750 /nfs/dbraw/zinc/29/97/50/645299750.db2.gz PLPQADBRQVCCRB-YOEHRIQHSA-N 1 0 303.450 2.202 20 10 DECDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000910949039 645592866 /nfs/dbraw/zinc/59/28/66/645592866.db2.gz DJUIZFIPUCRQKL-HNNXBMFYSA-N 1 0 304.390 2.121 20 10 DECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(C)cc(OC)c3O)[C@H]2C1 ZINC000840084585 645913893 /nfs/dbraw/zinc/91/38/93/645913893.db2.gz URHWDHRRBKNRCB-JKSUJKDBSA-N 1 0 320.433 2.004 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000912402254 646056670 /nfs/dbraw/zinc/05/66/70/646056670.db2.gz ZXAJUBFLNOLONK-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000808430269 646083820 /nfs/dbraw/zinc/08/38/20/646083820.db2.gz DTSJFRBCLRHNRO-OAHLLOKOSA-N 1 0 302.374 2.052 20 10 DECDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C12CCC2 ZINC000912599274 646112677 /nfs/dbraw/zinc/11/26/77/646112677.db2.gz IJFQOZUPZXJBOP-HRNFOAQLSA-N 1 0 316.401 2.100 20 10 DECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809692595 646264416 /nfs/dbraw/zinc/26/44/16/646264416.db2.gz BCKVIKMXUWOUPC-GASCZTMLSA-N 1 0 308.397 2.272 20 10 DECDRO COC(=O)c1cccc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809729972 646269521 /nfs/dbraw/zinc/26/95/21/646269521.db2.gz VHVPQUBEYLMNMZ-UHFFFAOYSA-N 1 0 301.342 2.477 20 10 DECDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809741597 646273667 /nfs/dbraw/zinc/27/36/67/646273667.db2.gz QEEFHWNDZQOPTH-UHFFFAOYSA-N 1 0 317.836 2.110 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000809757847 646278022 /nfs/dbraw/zinc/27/80/22/646278022.db2.gz UVIPXHLRPPPEMG-UHFFFAOYSA-N 1 0 300.349 2.174 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000809777992 646282600 /nfs/dbraw/zinc/28/26/00/646282600.db2.gz KRQBQXDJQDYZMZ-CYBMUJFWSA-N 1 0 322.792 2.315 20 10 DECDRO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000810135079 646330093 /nfs/dbraw/zinc/33/00/93/646330093.db2.gz IGEPRTJEAQGODT-CQSZACIVSA-N 1 0 300.406 2.406 20 10 DECDRO COCC[C@H](COC)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000810256980 646345079 /nfs/dbraw/zinc/34/50/79/646345079.db2.gz JUUUJUKHWXCFIF-MRXNPFEDSA-N 1 0 322.449 2.305 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000172921467 646754271 /nfs/dbraw/zinc/75/42/71/646754271.db2.gz AAKCWRPAHTVPDO-HNNXBMFYSA-N 1 0 317.385 2.401 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000813857335 646815432 /nfs/dbraw/zinc/81/54/32/646815432.db2.gz SQBQAJKAXHQULQ-JTDSTZFVSA-N 1 0 317.477 2.451 20 10 DECDRO C[C@@H]([NH2+]C1COCCOC1)c1ccc(Br)cc1O ZINC000813879547 646818518 /nfs/dbraw/zinc/81/85/18/646818518.db2.gz NCYLXZLFVCLLTF-SECBINFHSA-N 1 0 316.195 2.221 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000814226760 646864984 /nfs/dbraw/zinc/86/49/84/646864984.db2.gz IQECOHFMPQGTRQ-AWEZNQCLSA-N 1 0 311.447 2.266 20 10 DECDRO COc1cccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000815154763 646981015 /nfs/dbraw/zinc/98/10/15/646981015.db2.gz SDQFEYKLGDYYBY-CQSZACIVSA-N 1 0 300.358 2.107 20 10 DECDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816563403 647152556 /nfs/dbraw/zinc/15/25/56/647152556.db2.gz WXJAPXGADWIYFV-CQSZACIVSA-N 1 0 300.402 2.356 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816592022 647156415 /nfs/dbraw/zinc/15/64/15/647156415.db2.gz VGYBATZVZIDOLW-MRXNPFEDSA-N 1 0 319.401 2.049 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1C ZINC000816666775 647165499 /nfs/dbraw/zinc/16/54/99/647165499.db2.gz VXRSIQSXWFFJOA-ROUUACIJSA-N 1 0 305.418 2.413 20 10 DECDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000914180837 647207162 /nfs/dbraw/zinc/20/71/62/647207162.db2.gz XWLNGXIKJAKKJF-PBHICJAKSA-N 1 0 316.449 2.179 20 10 DECDRO COc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000817131964 647228690 /nfs/dbraw/zinc/22/86/90/647228690.db2.gz XMZUGPVYVMHKBX-LLVKDONJSA-N 1 0 309.366 2.142 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1c(O)cccc1F ZINC000914340599 647269437 /nfs/dbraw/zinc/26/94/37/647269437.db2.gz FPWXBVRKIKJCBY-CHWSQXEVSA-N 1 0 323.412 2.451 20 10 DECDRO CCCN1C[C@H](C[NH2+]Cc2cccc(OCC)c2O)CC1=O ZINC000817411435 647288019 /nfs/dbraw/zinc/28/80/19/647288019.db2.gz RLWPQLZXUWMVHS-ZDUSSCGKSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817414452 647289332 /nfs/dbraw/zinc/28/93/32/647289332.db2.gz KWJHPDMYXMEPMO-HIFRSBDPSA-N 1 0 308.397 2.008 20 10 DECDRO Oc1c(C[NH2+][C@H]2CCc3nnnn3CC2)ccc2ccccc21 ZINC000817419224 647291421 /nfs/dbraw/zinc/29/14/21/647291421.db2.gz DLGHMHAHPMSLIK-AWEZNQCLSA-N 1 0 309.373 2.027 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000817900374 647377563 /nfs/dbraw/zinc/37/75/63/647377563.db2.gz SCHWRBDMCVWLCW-OALUTQOASA-N 1 0 315.461 2.143 20 10 DECDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817944406 647389492 /nfs/dbraw/zinc/38/94/92/647389492.db2.gz BBUUORJARQKZTB-OLZOCXBDSA-N 1 0 309.841 2.189 20 10 DECDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817944407 647389562 /nfs/dbraw/zinc/38/95/62/647389562.db2.gz BBUUORJARQKZTB-QWHCGFSZSA-N 1 0 309.841 2.189 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000817944086 647389756 /nfs/dbraw/zinc/38/97/56/647389756.db2.gz XGQMDWISZCJHKB-DLBZAZTESA-N 1 0 313.449 2.227 20 10 DECDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(OC)cc1O ZINC000818000224 647403926 /nfs/dbraw/zinc/40/39/26/647403926.db2.gz LAHBZISZJKTOGB-UHFFFAOYSA-N 1 0 314.385 2.093 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(CO)o3)C2)cc1 ZINC000818220980 647435921 /nfs/dbraw/zinc/43/59/21/647435921.db2.gz KDCSFIOFQCAQTE-CQSZACIVSA-N 1 0 316.401 2.397 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C)nc3C)C2)cc1 ZINC000818221860 647436020 /nfs/dbraw/zinc/43/60/20/647436020.db2.gz OHKLKOOGFGNELJ-HNNXBMFYSA-N 1 0 314.433 2.353 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCn4ccnc43)C2)cc1 ZINC000818341816 647456682 /nfs/dbraw/zinc/45/66/82/647456682.db2.gz GZQDAVNZLHAMBJ-RHSMWYFYSA-N 1 0 312.417 2.453 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)ccc1O ZINC000818360561 647458169 /nfs/dbraw/zinc/45/81/69/647458169.db2.gz AWHFMLKSRPEWPU-RYUDHWBXSA-N 1 0 310.781 2.234 20 10 DECDRO Cc1ccc2nc(C[N@@H+](C)Cc3ccccc3O)cc(=O)n2c1 ZINC000731843597 647513047 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O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)C1=CC(=O)CS1 ZINC000854574151 651508268 /nfs/dbraw/zinc/50/82/68/651508268.db2.gz ORAZVMRMVYMXEX-CYBMUJFWSA-N 1 0 318.398 2.273 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000848913950 651559047 /nfs/dbraw/zinc/55/90/47/651559047.db2.gz CLECEVUNKDMHGJ-OAHLLOKOSA-N 1 0 305.422 2.190 20 10 DECDRO CCc1cccc(C[N@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)c1O ZINC000848920134 651562344 /nfs/dbraw/zinc/56/23/44/651562344.db2.gz YAEUWWDQZDPJAA-GASCZTMLSA-N 1 0 306.450 2.496 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855161622 651637127 /nfs/dbraw/zinc/63/71/27/651637127.db2.gz AKYHAVPMBZYBFI-SCXUMTSISA-N 1 0 304.390 2.100 20 10 DECDRO COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000849346815 651654748 /nfs/dbraw/zinc/65/47/48/651654748.db2.gz BZCHBQZLGSGBRY-UHFFFAOYSA-N 1 0 312.417 2.454 20 10 DECDRO COc1cc(C[NH2+]C[C@@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000850038284 651810001 /nfs/dbraw/zinc/81/00/01/651810001.db2.gz 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Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000862544561 686318328 /nfs/dbraw/zinc/31/83/28/686318328.db2.gz BMGUYEOYWVUDOB-CVEARBPZSA-N 1 0 316.405 2.372 20 10 DECDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646405 686539320 /nfs/dbraw/zinc/53/93/20/686539320.db2.gz SERFQLMFWVXEKA-JQWIXIFHSA-N 1 0 306.303 2.490 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781099 687332504 /nfs/dbraw/zinc/33/25/04/687332504.db2.gz VUAJWIVWBVQPHF-CYBMUJFWSA-N 1 0 307.390 2.076 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000868209974 687948009 /nfs/dbraw/zinc/94/80/09/687948009.db2.gz IUNVFMBDNIXPAU-NWANDNLSSA-N 1 0 303.406 2.379 20 10 DECDRO C[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1O ZINC000870988522 688704914 /nfs/dbraw/zinc/70/49/14/688704914.db2.gz RJZXXULQXPLMTJ-OCCSQVGLSA-N 1 0 314.389 2.004 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc1F ZINC000872200522 688950238 /nfs/dbraw/zinc/95/02/38/688950238.db2.gz 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KLDXTUYFKIQGBU-OAHLLOKOSA-N 1 0 306.450 2.146 20 10 DECDRO OCCCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877137098 690027158 /nfs/dbraw/zinc/02/71/58/690027158.db2.gz CRAVMFCROYNAQR-UHFFFAOYSA-N 1 0 306.450 2.290 20 10 DECDRO Cc1cc(N2CCC([NH2+]Cc3c(C)cccc3O)CC2)n[nH]1 ZINC000877464236 690120440 /nfs/dbraw/zinc/12/04/40/690120440.db2.gz MVEUVARYQNKBCW-UHFFFAOYSA-N 1 0 300.406 2.491 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000877483989 690126909 /nfs/dbraw/zinc/12/69/09/690126909.db2.gz SJCNFIMUSFAAPK-OAHLLOKOSA-N 1 0 317.433 2.278 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000877505790 690134249 /nfs/dbraw/zinc/13/42/49/690134249.db2.gz ZAFZIXAADAMBSV-NVXWUHKLSA-N 1 0 305.418 2.358 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000877543420 690146464 /nfs/dbraw/zinc/14/64/64/690146464.db2.gz ALUQGPJVSAROSD-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877592547 690161113 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CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccccc1O ZINC000881440610 691098577 /nfs/dbraw/zinc/09/85/77/691098577.db2.gz IEDQPUBUIXFGDI-CXAGYDPISA-N 1 0 320.433 2.363 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2CC)cc1 ZINC000883157933 691443423 /nfs/dbraw/zinc/44/34/23/691443423.db2.gz OWLGSHJWUDSIDF-KRWDZBQOSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000883161431 691444386 /nfs/dbraw/zinc/44/43/86/691444386.db2.gz RSHIXXVAPFLLKG-UTUOFQBUSA-N 1 0 314.376 2.258 20 10 DECDRO Cc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283603 691471839 /nfs/dbraw/zinc/47/18/39/691471839.db2.gz LQHAPVMWPVTKGL-UHFFFAOYSA-N 1 0 316.474 2.493 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1 ZINC000883296889 691476002 /nfs/dbraw/zinc/47/60/02/691476002.db2.gz ABZXKBJQHXUBNX-NJELEJDNSA-N 1 0 322.474 2.323 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC3(C)C)cc2)CC1 ZINC000883744438 691578577 /nfs/dbraw/zinc/57/85/77/691578577.db2.gz DKKUABCGWVYWHZ-INIZCTEOSA-N 1 0 316.449 2.036 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000884009616 691631965 /nfs/dbraw/zinc/63/19/65/691631965.db2.gz BIXITKHEVMNWBM-XIRDDKMYSA-N 1 0 301.434 2.305 20 10 DECDRO COCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001044391366 691817994 /nfs/dbraw/zinc/81/79/94/691817994.db2.gz TWSDTHGBHCQLQZ-GDBMZVCRSA-N 1 0 320.433 2.119 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1O ZINC000886239002 692033903 /nfs/dbraw/zinc/03/39/03/692033903.db2.gz NPPFSMXVLHBENQ-HNNXBMFYSA-N 1 0 305.349 2.233 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886333388 692058830 /nfs/dbraw/zinc/05/88/30/692058830.db2.gz HXFLDUABJXCNLP-IGCXYCKISA-N 1 0 307.390 2.217 20 10 DECDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924755850 693181226 /nfs/dbraw/zinc/18/12/26/693181226.db2.gz XNPWVKGLQUIQCL-HWWDLCQESA-N 1 0 304.434 2.284 20 10 DECDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(N)cc1)c1cccnc1 ZINC000926140615 693403272 /nfs/dbraw/zinc/40/32/72/693403272.db2.gz BPDCYUIFXVVKPG-MRXNPFEDSA-N 1 0 313.405 2.478 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC3(OC)OC)C2)cc1 ZINC000926612709 693478820 /nfs/dbraw/zinc/47/88/20/693478820.db2.gz RMQPQUYCCROYHD-WMLDXEAASA-N 1 0 320.433 2.263 20 10 DECDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)CC2)cc(OC)n1 ZINC001052526457 693558286 /nfs/dbraw/zinc/55/82/86/693558286.db2.gz CSRWUEAZEYHWRP-CQSZACIVSA-N 1 0 321.421 2.092 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001333308788 1150030720 /nfs/dbraw/zinc/03/07/20/1150030720.db2.gz ZGWODQVDTYTAMB-FUHWJXTLSA-N 1 0 304.434 2.428 20 10 DECDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001334232835 1150241061 /nfs/dbraw/zinc/24/10/61/1150241061.db2.gz LZAKQKRQJBORID-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(N)cc2)c1 ZINC001335382926 1150403421 /nfs/dbraw/zinc/40/34/21/1150403421.db2.gz 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CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001354604122 1151906868 /nfs/dbraw/zinc/90/68/68/1151906868.db2.gz OKYDWFVINQNMGD-GJZGRUSLSA-N 1 0 320.433 2.201 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1O ZINC001358046157 1152357917 /nfs/dbraw/zinc/35/79/17/1152357917.db2.gz NRAJRHZNHQOXKQ-AWEZNQCLSA-N 1 0 306.406 2.137 20 10 DECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(C)cc(OC)c2O)C1(C)C ZINC001332707455 1149882158 /nfs/dbraw/zinc/88/21/58/1149882158.db2.gz JWZUBCCDWBIRLK-MAUKXSAKSA-N 1 0 323.433 2.365 20 10 DECDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(c2)OCO3)COC1 ZINC001167374708 776963524 /nfs/dbraw/zinc/96/35/24/776963524.db2.gz SOZPQRDCPGQXKO-UHFFFAOYSA-N 1 0 312.369 2.150 20 10 DECDRO CN(C)c1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(Cl)c1 ZINC001140924420 778021052 /nfs/dbraw/zinc/02/10/52/778021052.db2.gz JOOAAEARCZYBAM-OAHLLOKOSA-N 1 0 311.857 2.168 20 10 DECDRO [NH3+][C@H]1CCc2c1cccc2NCCc1cc(O)c(O)cc1O ZINC001168013080 779320580 /nfs/dbraw/zinc/32/05/80/779320580.db2.gz 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ZINC001178148794 794842169 /nfs/dbraw/zinc/84/21/69/794842169.db2.gz STYWMBLZJCCAHI-UHFFFAOYSA-N 1 0 324.428 2.461 20 10 DECDRO COCn1ncc(C)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001117697185 795098332 /nfs/dbraw/zinc/09/83/32/795098332.db2.gz XWOAHWFIWBVQPB-UHFFFAOYSA-N 1 0 314.433 2.468 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001180129905 795238600 /nfs/dbraw/zinc/23/86/00/795238600.db2.gz MEWOYRKMAWBFTJ-YRYLYKBFSA-N 1 0 301.434 2.366 20 10 DECDRO CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cc2c(cc1O)CCC2 ZINC001119337482 795290572 /nfs/dbraw/zinc/29/05/72/795290572.db2.gz LAUSBPZGLZBBSJ-CVEARBPZSA-N 1 0 300.402 2.076 20 10 DECDRO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001119550623 795321853 /nfs/dbraw/zinc/32/18/53/795321853.db2.gz LAWPPCPKEODOAB-UHFFFAOYSA-N 1 0 318.417 2.040 20 10 DECDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC001122334555 795748500 /nfs/dbraw/zinc/74/85/00/795748500.db2.gz CGZHFLSZRGMUBP-GJBLVYBDSA-N 1 0 308.385 2.044 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C)n2)cc1C ZINC001123732474 795965350 /nfs/dbraw/zinc/96/53/50/795965350.db2.gz GBGGGRDWXAVCJM-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c2ccccc2n1C ZINC001138252375 796188151 /nfs/dbraw/zinc/18/81/51/796188151.db2.gz DXMVEHIRFYBCTQ-MSOLQXFVSA-N 1 0 302.418 2.052 20 10 DECDRO CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CN(C)C1 ZINC001138340897 796199784 /nfs/dbraw/zinc/19/97/84/796199784.db2.gz BGJKBTWILXDXOC-UHFFFAOYSA-N 1 0 315.461 2.227 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ncccc3O)CC2)c(C)c1 ZINC001138395759 796214136 /nfs/dbraw/zinc/21/41/36/796214136.db2.gz CEGSMQVSTWISBW-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO c1cc2c(cn1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138498736 796226745 /nfs/dbraw/zinc/22/67/45/796226745.db2.gz BVMIJDLJWXHDKS-UHFFFAOYSA-N 1 0 309.413 2.477 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001139124957 796326576 /nfs/dbraw/zinc/32/65/76/796326576.db2.gz IMSZBZSVLINRPO-WBMJQRKESA-N 1 0 315.369 2.418 20 10 DECDRO COc1cc(CN2C[C@@H](F)C[C@H]2CF)cc(C[NH+](C)C)c1O ZINC001139254331 796349726 /nfs/dbraw/zinc/34/97/26/796349726.db2.gz HFSDLRUIQXMBPJ-KBPBESRZSA-N 1 0 314.376 2.344 20 10 DECDRO CCO[C@@H]1C[C@H]2CN(Cc3c(C)ccc(C)c3O)CC[N@@H+]2C1 ZINC001140181068 796487277 /nfs/dbraw/zinc/48/72/77/796487277.db2.gz PBIVTGUSWHLACV-JKSUJKDBSA-N 1 0 304.434 2.304 20 10 DECDRO Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001140184863 796487503 /nfs/dbraw/zinc/48/75/03/796487503.db2.gz IQEZSFKQMHXYSY-ZBFHGGJFSA-N 1 0 302.418 2.452 20 10 DECDRO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140181766 796487590 /nfs/dbraw/zinc/48/75/90/796487590.db2.gz XCIFOGOFDPLXLP-HNNXBMFYSA-N 1 0 315.417 2.484 20 10 DECDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287069 796502641 /nfs/dbraw/zinc/50/26/41/796502641.db2.gz HIYMDUUNLFVTCF-INIZCTEOSA-N 1 0 302.418 2.059 20 10 DECDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140464345 796525665 /nfs/dbraw/zinc/52/56/65/796525665.db2.gz MBZBYLVVZJRMNR-UHFFFAOYSA-N 1 0 312.841 2.324 20 10 DECDRO CCC1=NC2(CC[NH+](Cc3cc(C)ccc3O)CC2)C(=O)N1C ZINC001140623996 796546412 /nfs/dbraw/zinc/54/64/12/796546412.db2.gz BDTUVJKDYQNKTB-UHFFFAOYSA-N 1 0 315.417 2.316 20 10 DECDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664587 796553497 /nfs/dbraw/zinc/55/34/97/796553497.db2.gz MQTDFBALRRGURH-QGZVFWFLSA-N 1 0 322.424 2.398 20 10 DECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCOCC2)cc1F ZINC001140664534 796553562 /nfs/dbraw/zinc/55/35/62/796553562.db2.gz KNSVTIDYYAULFY-UHFFFAOYSA-N 1 0 324.396 2.047 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001140855801 796584103 /nfs/dbraw/zinc/58/41/03/796584103.db2.gz KMFNIYBCIQPPPB-MRXNPFEDSA-N 1 0 317.433 2.045 20 10 DECDRO COc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)c(OC)c1 ZINC001141031486 796621062 /nfs/dbraw/zinc/62/10/62/796621062.db2.gz GSIIWUOGHHLTSQ-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)c(OC)c1 ZINC001141032164 796622077 /nfs/dbraw/zinc/62/20/77/796622077.db2.gz UOAWZRFMPHOEDN-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO CO[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1OC ZINC001141074207 796631821 /nfs/dbraw/zinc/63/18/21/796631821.db2.gz AZLZOAPJKLSHQU-HDICACEKSA-N 1 0 316.445 2.231 20 10 DECDRO CN1CCOc2cc(CN3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC001141139485 796638307 /nfs/dbraw/zinc/63/83/07/796638307.db2.gz UWVAOCZZBKRYKR-UHFFFAOYSA-N 1 0 324.428 2.232 20 10 DECDRO CN1CCOc2cc(CN3CCC[C@@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC001141143796 796639025 /nfs/dbraw/zinc/63/90/25/796639025.db2.gz KNNDQRTZLRJODX-NVXWUHKLSA-N 1 0 301.434 2.041 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@](O)(CF)C3)ccc21 ZINC001141140474 796639027 /nfs/dbraw/zinc/63/90/27/796639027.db2.gz MNBUAKNUEZSFQI-KRWDZBQOSA-N 1 0 308.397 2.202 20 10 DECDRO CN1CCOc2cc(CN3CC([NH+]4CCC(F)CC4)C3)ccc21 ZINC001141143831 796639103 /nfs/dbraw/zinc/63/91/03/796639103.db2.gz LUWMPTYJZKMVDL-UHFFFAOYSA-N 1 0 319.424 2.133 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001141156457 796641891 /nfs/dbraw/zinc/64/18/91/796641891.db2.gz LAJZBBJINRESEM-CYBMUJFWSA-N 1 0 305.296 2.377 20 10 DECDRO O=C(CC[NH+]1CCCCC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001142918358 796785036 /nfs/dbraw/zinc/78/50/36/796785036.db2.gz AXIMZBKKRDCKHL-UHFFFAOYSA-N 1 0 318.417 2.249 20 10 DECDRO [NH3+]C[C@]1(O)CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001205725256 797953471 /nfs/dbraw/zinc/95/34/71/797953471.db2.gz FPIRKRRKEMEWMN-CQSZACIVSA-N 1 0 319.232 2.375 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)cc1 ZINC001203940786 798509306 /nfs/dbraw/zinc/50/93/06/798509306.db2.gz ZGQMJDYTIGMNDY-ZWKOTPCHSA-N 1 0 306.450 2.098 20 10 DECDRO Cc1cccc(CNC(=S)NCC[NH+]2CCCCC2)c1O ZINC001200446201 798630194 /nfs/dbraw/zinc/63/01/94/798630194.db2.gz KLMCCEWWRCHQBL-UHFFFAOYSA-N 1 0 307.463 2.151 20 10 DECDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC001203552256 800079660 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COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001203635494 800097357 /nfs/dbraw/zinc/09/73/57/800097357.db2.gz YGSGCOBBXSQUGS-HNNXBMFYSA-N 1 0 315.373 2.234 20 10 DECDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(O)cc3O)C2)cc1 ZINC001204277783 800199168 /nfs/dbraw/zinc/19/91/68/800199168.db2.gz LWBJZVGZDGGIAG-UHFFFAOYSA-N 1 0 313.353 2.484 20 10 DECDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204281679 800200495 /nfs/dbraw/zinc/20/04/95/800200495.db2.gz GRSANLLOKVDFCV-OAHLLOKOSA-N 1 0 315.373 2.240 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2S(C)(=O)=O)c1 ZINC001206299942 800505107 /nfs/dbraw/zinc/50/51/07/800505107.db2.gz IQUKBDXZEXRACG-UHFFFAOYSA-N 1 0 321.398 2.094 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(Br)ccc2O)C1 ZINC001206405160 800526305 /nfs/dbraw/zinc/52/63/05/800526305.db2.gz OUTNBRDYPAHBSA-WDEREUQCSA-N 1 0 303.175 2.026 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001209516650 801205916 /nfs/dbraw/zinc/20/59/16/801205916.db2.gz KXKDMYQMWCAVQN-MJGOQNOKSA-N 1 0 314.429 2.269 20 10 DECDRO COc1ccc(Br)c(C[N@H+]2CC[C@H](OC)C2)c1O ZINC001231550176 801682002 /nfs/dbraw/zinc/68/20/02/801682002.db2.gz KBHMFADTDAZRGY-VIFPVBQESA-N 1 0 316.195 2.384 20 10 DECDRO Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c1O ZINC001231595299 801692040 /nfs/dbraw/zinc/69/20/40/801692040.db2.gz VSDRFASHOGXFLU-UHFFFAOYSA-N 1 0 317.433 2.470 20 10 DECDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594873 801692284 /nfs/dbraw/zinc/69/22/84/801692284.db2.gz LRORHDQHTFUYPO-INIZCTEOSA-N 1 0 320.433 2.160 20 10 DECDRO Cc1cc(N2CC[NH+](Cc3cccc(C)c3O)CC2)nc(C)n1 ZINC001231592526 801692585 /nfs/dbraw/zinc/69/25/85/801692585.db2.gz NWNONJQTMYCDQZ-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1c(C)cc(C)cc1O ZINC001231846165 801735771 /nfs/dbraw/zinc/73/57/71/801735771.db2.gz GYUCCEPTEXUPBR-QKDCVEJESA-N 1 0 319.401 2.161 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001231848693 801736977 /nfs/dbraw/zinc/73/69/77/801736977.db2.gz KCGYKYNMYMMXAM-CYBMUJFWSA-N 1 0 314.376 2.211 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001231848694 801737368 /nfs/dbraw/zinc/73/73/68/801737368.db2.gz KCGYKYNMYMMXAM-ZDUSSCGKSA-N 1 0 314.376 2.211 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854021 801737394 /nfs/dbraw/zinc/73/73/94/801737394.db2.gz VXFGHKSOZCAYTL-UKRRQHHQSA-N 1 0 320.433 2.392 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001231914455 801749748 /nfs/dbraw/zinc/74/97/48/801749748.db2.gz LRUGQIXJJWBFHU-UHFFFAOYSA-N 1 0 304.781 2.158 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(OC)cc2O)C[C@@H]1C ZINC001232271260 801834691 /nfs/dbraw/zinc/83/46/91/801834691.db2.gz TWYRISDSMBVJLG-ONGXEEELSA-N 1 0 313.781 2.295 20 10 DECDRO COC(=O)c1c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c2ccccc2n1C ZINC001232405418 801871954 /nfs/dbraw/zinc/87/19/54/801871954.db2.gz KKGVWERITJVKQN-BLLLJJGKSA-N 1 0 314.385 2.186 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001232836579 801969223 /nfs/dbraw/zinc/96/92/23/801969223.db2.gz QHIWWVTVROJTCS-CQSZACIVSA-N 1 0 318.339 2.205 20 10 DECDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232838436 801969912 /nfs/dbraw/zinc/96/99/12/801969912.db2.gz FKJWOOYDTZWASF-MRXNPFEDSA-N 1 0 319.449 2.339 20 10 DECDRO Cc1cc(Br)cc(CN2CC3(C2)C[NH+](C)C3)c1O ZINC001233111787 802028543 /nfs/dbraw/zinc/02/85/43/802028543.db2.gz XOKGPBSSHNQJPV-UHFFFAOYSA-N 1 0 311.223 2.211 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1Br ZINC001233135559 802034375 /nfs/dbraw/zinc/03/43/75/802034375.db2.gz VELFJOILFPJPPP-SCZZXKLOSA-N 1 0 316.195 2.118 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3cc(C)c[nH]c3=O)CC2)cc1 ZINC001233189521 802042943 /nfs/dbraw/zinc/04/29/43/802042943.db2.gz VOKNFZYHXBGPMI-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1O ZINC001233288420 802064003 /nfs/dbraw/zinc/06/40/03/802064003.db2.gz KJPUVNAFLMIOCG-INIZCTEOSA-N 1 0 324.808 2.156 20 10 DECDRO CC[NH+](CC)C[C@H]1CN(Cc2c(O)ccc(F)c2F)CCO1 ZINC001233336526 802080142 /nfs/dbraw/zinc/08/01/42/802080142.db2.gz OPDXYLMQLKNEKF-LBPRGKRZSA-N 1 0 314.376 2.213 20 10 DECDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455752 802120867 /nfs/dbraw/zinc/12/08/67/802120867.db2.gz XEUUEYJDKJNDHT-CYBMUJFWSA-N 1 0 316.323 2.464 20 10 DECDRO COC(=O)[C@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451870 802121363 /nfs/dbraw/zinc/12/13/63/802121363.db2.gz CEPRMHHPQXFKMC-ZDUSSCGKSA-N 1 0 321.270 2.498 20 10 DECDRO C[NH2+][C@H]1C[C@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001217955283 802123501 /nfs/dbraw/zinc/12/35/01/802123501.db2.gz ZEDCTNNPJQBNDO-XYPYZODXSA-N 1 0 323.348 2.297 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001217967113 802125426 /nfs/dbraw/zinc/12/54/26/802125426.db2.gz AFDDHIGZQBRWJP-DIFFPNOSSA-N 1 0 307.349 2.449 20 10 DECDRO C[C@@H](Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)C1C[NH2+]C1 ZINC001218195513 802154326 /nfs/dbraw/zinc/15/43/26/802154326.db2.gz PWVLIZMTYUOBEU-SNVBAGLBSA-N 1 0 323.348 2.154 20 10 DECDRO O=C1c2cccc(O[C@H]3C=CC[NH2+]C3)c2C(=O)c2cccc(O)c21 ZINC001218332065 802168772 /nfs/dbraw/zinc/16/87/72/802168772.db2.gz BPSNEWSNHMKRDE-NSHDSACASA-N 1 0 321.332 2.074 20 10 DECDRO [NH3+][C@@]12CC[C@@](NC(=O)/C=C/c3ccc(O)c(O)c3)(C1)CCC2 ZINC001220777013 802496295 /nfs/dbraw/zinc/49/62/95/802496295.db2.gz CCAZVFMKZUPKGZ-KCCJJVRFSA-N 1 0 302.374 2.031 20 10 DECDRO CCc1ccc(CN(CC[NH3+])C(=O)Cc2ccc(N)cc2)cc1 ZINC001220904786 802511644 /nfs/dbraw/zinc/51/16/44/802511644.db2.gz CJFHQCHNYBLUMK-UHFFFAOYSA-N 1 0 311.429 2.361 20 10 DECDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334775344 1150341277 /nfs/dbraw/zinc/34/12/77/1150341277.db2.gz XASHZOHYJBHZRZ-JOCHJYFZSA-N 1 0 324.494 2.055 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001335505876 1150438294 /nfs/dbraw/zinc/43/82/94/1150438294.db2.gz DUAFWOOLZITJHI-SFHVURJKSA-N 1 0 317.477 2.487 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1C ZINC001461768071 1058708604 /nfs/dbraw/zinc/70/86/04/1058708604.db2.gz WERGPXRVIWLEHC-HIFRSBDPSA-N 1 0 311.447 2.307 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1F ZINC001464552153 1059156696 /nfs/dbraw/zinc/15/66/96/1059156696.db2.gz ZQWNHKQQJOWABY-UHFFFAOYSA-N 1 0 309.429 2.486 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001466791539 1059537743 /nfs/dbraw/zinc/53/77/43/1059537743.db2.gz UZGQWLPBYWFXJF-SNPRPXQTSA-N 1 0 320.433 2.265 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]CCNc1cnccn1 ZINC001474068341 1060807941 /nfs/dbraw/zinc/80/79/41/1060807941.db2.gz DNDZMUQCOWGRAN-UHFFFAOYSA-N 1 0 323.194 2.146 20 10 DECDRO CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480240363 1062504510 /nfs/dbraw/zinc/50/45/10/1062504510.db2.gz VACAKFMMZGZZFV-OKILXGFUSA-N 1 0 317.393 2.500 20 10 DECDRO COCC(=O)N[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001495216174 1064766214 /nfs/dbraw/zinc/76/62/14/1064766214.db2.gz KYQJGZGXSAMQGS-GOSISDBHSA-N 1 0 320.433 2.025 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001621064319 1078168601 /nfs/dbraw/zinc/16/86/01/1078168601.db2.gz ZQCABKUEFZYYKL-GLJUWKHASA-N 1 0 300.402 2.380 20 10 DECDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001621228144 1078171474 /nfs/dbraw/zinc/17/14/74/1078171474.db2.gz OQQUTBVMNGOIBU-CYBMUJFWSA-N 1 0 309.797 2.082 20 10 DECDRO CCC[N@H+](Cc1cc(C(C)C)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC001621278981 1078172222 /nfs/dbraw/zinc/17/22/22/1078172222.db2.gz IRQGZQNJJHXAAH-OAHLLOKOSA-N 1 0 318.417 2.485 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001629795027 1078326365 /nfs/dbraw/zinc/32/63/65/1078326365.db2.gz RIGJLNQXNTZOFE-UHFFFAOYSA-N 1 0 318.417 2.117 20 10 DECDRO C[C@H](NC(=O)N1CCC2(C[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC001576200561 1066519713 /nfs/dbraw/zinc/51/97/13/1066519713.db2.gz JZMOZDOKSOYHCU-AWEZNQCLSA-N 1 0 316.449 2.209 20 10 DECDRO CC[NH2+]CCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001577843131 1066935400 /nfs/dbraw/zinc/93/54/00/1066935400.db2.gz NOAMXEVISNHENW-OAHLLOKOSA-N 1 0 320.481 2.291 20 10 DECDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001635098403 1078443480 /nfs/dbraw/zinc/44/34/80/1078443480.db2.gz UBAAXSJJRQQAEK-HNNXBMFYSA-N 1 0 318.465 2.378 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCn2cccc2)cc1 ZINC001578424644 1067096409 /nfs/dbraw/zinc/09/64/09/1067096409.db2.gz PXQCRTSFDRXAOF-QGZVFWFLSA-N 1 0 314.433 2.151 20 10 DECDRO CC[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272444814 1078879659 /nfs/dbraw/zinc/87/96/59/1078879659.db2.gz GDFCFEHIMZONLD-SFHVURJKSA-N 1 0 301.434 2.197 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)cc1 ZINC001649389507 1079115877 /nfs/dbraw/zinc/11/58/77/1079115877.db2.gz SNVJEYWOYMUDNA-INIZCTEOSA-N 1 0 324.428 2.290 20 10 DECDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560889723 1075147911 /nfs/dbraw/zinc/14/79/11/1075147911.db2.gz WAQNKKQDQDXUKY-INIZCTEOSA-N 1 0 320.433 2.052 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](OC)C(C)C)cc1C ZINC001567050531 1075423045 /nfs/dbraw/zinc/42/30/45/1075423045.db2.gz BQSCCZPRCDTJBL-RHSMWYFYSA-N 1 0 322.449 2.269 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1O ZINC001591769863 1076780671 /nfs/dbraw/zinc/78/06/71/1076780671.db2.gz JQGJRYKZBXVUAS-VIFPVBQESA-N 1 0 301.375 2.485 20 10 DECDRO CC[N@H+](C)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001593872945 1077050255 /nfs/dbraw/zinc/05/02/55/1077050255.db2.gz HMJGBLDRVJSCCW-QGZVFWFLSA-N 1 0 314.385 2.407 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC23CC3)cc1C ZINC001481284538 1079635328 /nfs/dbraw/zinc/63/53/28/1079635328.db2.gz YLUHUVZWOWJRMP-OAHLLOKOSA-N 1 0 302.418 2.352 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC001652917220 1079905062 /nfs/dbraw/zinc/90/50/62/1079905062.db2.gz BMGUYEOYWVUDOB-JKSUJKDBSA-N 1 0 316.405 2.372 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)COCC1CC1 ZINC001657057323 1080150495 /nfs/dbraw/zinc/15/04/95/1080150495.db2.gz ZXSWIHFWBKPDIG-HNNXBMFYSA-N 1 0 302.418 2.364 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001657624109 1080180272 /nfs/dbraw/zinc/18/02/72/1080180272.db2.gz BFZFPUHWAVYPJB-KRWDZBQOSA-N 1 0 321.440 2.092 20 10 DECDRO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001658517451 1080209982 /nfs/dbraw/zinc/20/99/82/1080209982.db2.gz SNCVYHFNJPEWSY-KRWDZBQOSA-N 1 0 320.433 2.154 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001659090760 1080230487 /nfs/dbraw/zinc/23/04/87/1080230487.db2.gz COIQIPCEMQAZDC-UHFFFAOYSA-N 1 0 322.405 2.373 20 10 DECDRO COCC(C)(C)[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001659492935 1080241690 /nfs/dbraw/zinc/24/16/90/1080241690.db2.gz UIYQXNHJRCJJOZ-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001659655501 1080246140 /nfs/dbraw/zinc/24/61/40/1080246140.db2.gz YEONHEYDMRCSRK-CQSZACIVSA-N 1 0 306.406 2.057 20 10 DECDRO COC(=O)C1CC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001660090809 1080265109 /nfs/dbraw/zinc/26/51/09/1080265109.db2.gz PFHLZZGAYMCKII-WLYUNCDWSA-N 1 0 318.417 2.063 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001661668030 1080505074 /nfs/dbraw/zinc/50/50/74/1080505074.db2.gz ZXVOECRPPAEMLN-UHFFFAOYSA-N 1 0 320.458 2.401 20 10 DECDRO COc1ccc(N2CCC([NH2+]C3CC(OC)(OC)C3)CC2)cc1 ZINC001663324906 1080731284 /nfs/dbraw/zinc/73/12/84/1080731284.db2.gz NHZUTMVDOLSENO-UHFFFAOYSA-N 1 0 320.433 2.405 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc[nH]2)cc1C ZINC001268678113 1080931022 /nfs/dbraw/zinc/93/10/22/1080931022.db2.gz DWQBKFIJTLXWKI-ZDUSSCGKSA-N 1 0 301.390 2.240 20 10 DECDRO CC(C)[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667064159 1081207541 /nfs/dbraw/zinc/20/75/41/1081207541.db2.gz USHKELLUBJBAKC-NSHDSACASA-N 1 0 305.382 2.308 20 10 DECDRO C[N@@H+]1CCCC2(CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC001269607709 1081306538 /nfs/dbraw/zinc/30/65/38/1081306538.db2.gz HGBMVMBKIZMNPE-UHFFFAOYSA-N 1 0 304.390 2.046 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccon2)cc1C ZINC001270365874 1081510546 /nfs/dbraw/zinc/51/05/46/1081510546.db2.gz VMXVIYWKHNEZNO-GFCCVEGCSA-N 1 0 317.389 2.147 20 10 DECDRO CCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229579 1081994780 /nfs/dbraw/zinc/99/47/80/1081994780.db2.gz YWOBQLCHVFCOHO-LLVKDONJSA-N 1 0 305.382 2.309 20 10 DECDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(O)c(O)c1Cl)C2 ZINC001276527364 1083480671 /nfs/dbraw/zinc/48/06/71/1083480671.db2.gz LNHFBSIZGPCZNG-INIZCTEOSA-N 1 0 324.808 2.309 20 10 DECDRO CCOc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001276925638 1083683065 /nfs/dbraw/zinc/68/30/65/1083683065.db2.gz FINFKZSEAXNPBL-ROUUACIJSA-N 1 0 303.450 2.300 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c2ccccc21 ZINC001277173633 1083828875 /nfs/dbraw/zinc/82/88/75/1083828875.db2.gz FCLCQBAZHALZDW-KUHUBIRLSA-N 1 0 309.413 2.356 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c(OC)c1 ZINC001277295116 1083898503 /nfs/dbraw/zinc/89/85/03/1083898503.db2.gz BTYWVLRIDCDWRF-UHFFFAOYSA-N 1 0 317.433 2.039 20 10 DECDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903163 1084455038 /nfs/dbraw/zinc/45/50/38/1084455038.db2.gz OJSSNBFDZFDRHP-NWANDNLSSA-N 1 0 318.417 2.462 20 10 DECDRO COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001235769846 1084521525 /nfs/dbraw/zinc/52/15/25/1084521525.db2.gz HXTPXFNIVGXUOK-UONOGXRCSA-N 1 0 320.433 2.012 20 10 DECDRO CC1(C)CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[NH2+]1 ZINC001235835261 1084542074 /nfs/dbraw/zinc/54/20/74/1084542074.db2.gz UUJMFUONWBPMLY-UHFFFAOYSA-N 1 0 323.868 2.360 20 10 DECDRO C[C@H]1C[C@H]([NH3+])CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001236046252 1084596704 /nfs/dbraw/zinc/59/67/04/1084596704.db2.gz FJZXAIDWSSHQSX-WPRPVWTQSA-N 1 0 317.202 2.463 20 10 DECDRO CC[C@H]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001128551663 1086225578 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COc1cccc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c1O ZINC001275273420 1091648010 /nfs/dbraw/zinc/64/80/10/1091648010.db2.gz PCZAMOVBNUXDBL-UHFFFAOYSA-N 1 0 302.418 2.461 20 10 DECDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(OC)cc1OC ZINC001276193577 1091676581 /nfs/dbraw/zinc/67/65/81/1091676581.db2.gz APNXNIQXESGOMK-YHWZYXNKSA-N 1 0 306.406 2.124 20 10 DECDRO CN(C)c1ccc(CN2CCC3(CC[NH+](C)CC3)C2=O)cc1 ZINC001273526350 1091902737 /nfs/dbraw/zinc/90/27/37/1091902737.db2.gz BIGOGRPWBLEXEW-UHFFFAOYSA-N 1 0 301.434 2.197 20 10 DECDRO C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009257 1092504156 /nfs/dbraw/zinc/50/41/56/1092504156.db2.gz NESJXOIUVBSNPN-QGZVFWFLSA-N 1 0 304.390 2.008 20 10 DECDRO COCCN(Cc1cccc(C(C)(C)C)c1O)[C@@H]1CC[NH2+]C1 ZINC001236333941 1138353138 /nfs/dbraw/zinc/35/31/38/1138353138.db2.gz MLNBKIRVZUMHCW-OAHLLOKOSA-N 1 0 306.450 2.500 20 10 DECDRO COCCN(Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CC[NH2+]C1 ZINC001236333363 1138353284 /nfs/dbraw/zinc/35/32/84/1138353284.db2.gz DMKPRFMSKWODMF-MRXNPFEDSA-N 1 0 306.450 2.500 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(C[C@H]3CCO)CC2)cc1OC ZINC001236749243 1138405861 /nfs/dbraw/zinc/40/58/61/1138405861.db2.gz FZJSCNGEWBBLMU-CQSZACIVSA-N 1 0 321.417 2.394 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([N@H+](C)C(C)C)C2)cc1OC ZINC001236755239 1138407193 /nfs/dbraw/zinc/40/71/93/1138407193.db2.gz BULMNQZFRBZTPO-AWEZNQCLSA-N 1 0 308.422 2.324 20 10 DECDRO COc1cc(O)c(CN2CCC([N@H+](C)C3CC3)CC2)cc1OC ZINC001236757581 1138411592 /nfs/dbraw/zinc/41/15/92/1138411592.db2.gz MTUYRONZVCXTBA-UHFFFAOYSA-N 1 0 320.433 2.468 20 10 DECDRO C[N@H+](Cc1cc(O)c(Br)cc1O)[C@@H]1CCCOC1 ZINC001236766046 1138419776 /nfs/dbraw/zinc/41/97/76/1138419776.db2.gz UJYSHLNCYKKPBC-SNVBAGLBSA-N 1 0 316.195 2.471 20 10 DECDRO CCc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1 ZINC001236783150 1138425140 /nfs/dbraw/zinc/42/51/40/1138425140.db2.gz IITYPNQBKMBNQJ-UHFFFAOYSA-N 1 0 304.434 2.251 20 10 DECDRO COc1cc(O)c(C[N@H+]2CCc3nccn3CC2)c(Cl)c1 ZINC001236807772 1138434826 /nfs/dbraw/zinc/43/48/26/1138434826.db2.gz JEWXCNRZYTXLIC-UHFFFAOYSA-N 1 0 307.781 2.309 20 10 DECDRO COc1cc(C)c(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001236822132 1138439828 /nfs/dbraw/zinc/43/98/28/1138439828.db2.gz YBIIULQZNHTIMD-AWEZNQCLSA-N 1 0 306.406 2.152 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(O)c1 ZINC001237045098 1138488138 /nfs/dbraw/zinc/48/81/38/1138488138.db2.gz WZSMNTKVMJOTHQ-UHFFFAOYSA-N 1 0 305.374 2.463 20 10 DECDRO CN1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051910 1138491265 /nfs/dbraw/zinc/49/12/65/1138491265.db2.gz RXLOVANHTJSLRX-UHFFFAOYSA-N 1 0 318.339 2.471 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001237063433 1138493470 /nfs/dbraw/zinc/49/34/70/1138493470.db2.gz QFZFTDLTGBUELQ-GFCCVEGCSA-N 1 0 316.323 2.223 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001237484830 1138652152 /nfs/dbraw/zinc/65/21/52/1138652152.db2.gz AZRCOQBDSSVNAH-HOCLYGCPSA-N 1 0 300.402 2.001 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c(OC)c1 ZINC001237670549 1138745876 /nfs/dbraw/zinc/74/58/76/1138745876.db2.gz SULPOZRFJKOULP-WBMJQRKESA-N 1 0 307.390 2.410 20 10 DECDRO COC(=O)C1(C)CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676437 1138748678 /nfs/dbraw/zinc/74/86/78/1138748678.db2.gz OFBBVAKJQDFGBH-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1O ZINC001237678406 1138751130 /nfs/dbraw/zinc/75/11/30/1138751130.db2.gz BLFGLCUBFGSWJS-INIZCTEOSA-N 1 0 308.809 2.456 20 10 DECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237682495 1138754770 /nfs/dbraw/zinc/75/47/70/1138754770.db2.gz ASZRWQWUFYCHDG-CZUORRHYSA-N 1 0 311.809 2.449 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c(OC)c1 ZINC001237679907 1138756366 /nfs/dbraw/zinc/75/63/66/1138756366.db2.gz GFBFBEWYNFQYRI-QGZVFWFLSA-N 1 0 321.373 2.081 20 10 DECDRO [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001237934718 1138811251 /nfs/dbraw/zinc/81/12/51/1138811251.db2.gz NISXIBHDZPYPLA-NSHDSACASA-N 1 0 315.772 2.301 20 10 DECDRO Cc1cc(F)cc(CN2CCN(C(=O)c3ccco3)CC2)c1O ZINC001238055582 1138818977 /nfs/dbraw/zinc/81/89/77/1138818977.db2.gz AKQXKVNBLIHUAI-UHFFFAOYSA-N 1 0 318.348 2.391 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001238063015 1138819232 /nfs/dbraw/zinc/81/92/32/1138819232.db2.gz ZEKABZOGEIHNNQ-GVDBMIGSSA-N 1 0 321.392 2.466 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CC[N@@H+]2CC[C@H](F)C2)c1 ZINC001294936629 1139308517 /nfs/dbraw/zinc/30/85/17/1139308517.db2.gz IDFHLSOVIWAWGX-RYUDHWBXSA-N 1 0 310.369 2.012 20 10 DECDRO OCCCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319823626 1140745832 /nfs/dbraw/zinc/74/58/32/1140745832.db2.gz QZZSZHQBIMAMCB-UHFFFAOYSA-N 1 0 317.477 2.177 20 10 DECDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001319833015 1140751084 /nfs/dbraw/zinc/75/10/84/1140751084.db2.gz GYAGQJBRNLRNCQ-SNVBAGLBSA-N 1 0 309.362 2.331 20 10 DECDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320667669 1140892115 /nfs/dbraw/zinc/89/21/15/1140892115.db2.gz CBFFBPATJUIZRW-HUUCEWRRSA-N 1 0 308.397 2.319 20 10 DECDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC001320752696 1140907604 /nfs/dbraw/zinc/90/76/04/1140907604.db2.gz RTLSPORYEPUXMU-ZDUSSCGKSA-N 1 0 323.389 2.327 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnc2n1CCOC2 ZINC001320816874 1140937676 /nfs/dbraw/zinc/93/76/76/1140937676.db2.gz NSYZBFGNRJJSKO-RYUDHWBXSA-N 1 0 314.389 2.160 20 10 DECDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001320952239 1141004978 /nfs/dbraw/zinc/00/49/78/1141004978.db2.gz JTMPAMZOYXQTSQ-WAXTVWTQSA-N 1 0 302.418 2.422 20 10 DECDRO CCOc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246949832 1141167699 /nfs/dbraw/zinc/16/76/99/1141167699.db2.gz QSVSBLNDJROQAN-NVXWUHKLSA-N 1 0 303.450 2.348 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C3CC(F)(F)C3)cc2F)CC1 ZINC001321918758 1141365251 /nfs/dbraw/zinc/36/52/51/1141365251.db2.gz HCLQTWMRIRYFPK-UHFFFAOYSA-N 1 0 313.367 2.465 20 10 DECDRO COC[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001323407793 1141850846 /nfs/dbraw/zinc/85/08/46/1141850846.db2.gz YBBVYVTZOBIOPB-AWEZNQCLSA-N 1 0 320.433 2.025 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CCC(OC(C)C)CC2)c(O)c1 ZINC001249201074 1141858906 /nfs/dbraw/zinc/85/89/06/1141858906.db2.gz CWFJPBWLBCVUHE-UHFFFAOYSA-N 1 0 321.417 2.497 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC001249201038 1141859059 /nfs/dbraw/zinc/85/90/59/1141859059.db2.gz BTPDNQAQPRZBGN-UHFFFAOYSA-N 1 0 319.401 2.110 20 10 DECDRO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249201542 1141859241 /nfs/dbraw/zinc/85/92/41/1141859241.db2.gz WYGTTWAWRMWDBO-INIZCTEOSA-N 1 0 321.417 2.499 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1 ZINC001249223665 1141862364 /nfs/dbraw/zinc/86/23/64/1141862364.db2.gz LTVVJARLGPUKPJ-DOMZBBRYSA-N 1 0 307.390 2.107 20 10 DECDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249258795 1141865080 /nfs/dbraw/zinc/86/50/80/1141865080.db2.gz MPCZTNBIXFJZFW-AWEZNQCLSA-N 1 0 316.401 2.287 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC001323831178 1141890602 /nfs/dbraw/zinc/89/06/02/1141890602.db2.gz VJSJCWGWUHZRKI-BZUAXINKSA-N 1 0 317.477 2.474 20 10 DECDRO Cc1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001323889491 1141896553 /nfs/dbraw/zinc/89/65/53/1141896553.db2.gz NMEHUIYNWUDELW-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC001324458673 1142081417 /nfs/dbraw/zinc/08/14/17/1142081417.db2.gz GEJUECOKAJWQCX-UHFFFAOYSA-N 1 0 310.369 2.183 20 10 DECDRO CN(C)c1ccc(CN(C(=O)N[C@H]2C[C@H](C[NH3+])C2)C2CC2)cc1 ZINC001336271994 1142392586 /nfs/dbraw/zinc/39/25/86/1142392586.db2.gz LJEQPVPOTXLWOC-SHTZXODSSA-N 1 0 316.449 2.164 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(O)c1OC ZINC001336748653 1142558257 /nfs/dbraw/zinc/55/82/57/1142558257.db2.gz WAOPFKACOPWRLT-JCURWCKSSA-N 1 0 319.401 2.457 20 10 DECDRO C[NH+](C)CC[C@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC001336825701 1142585666 /nfs/dbraw/zinc/58/56/66/1142585666.db2.gz GPGNLBZVYNFHPA-HNNXBMFYSA-N 1 0 306.454 2.434 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001336971805 1142644255 /nfs/dbraw/zinc/64/42/55/1142644255.db2.gz PKXNABOSDHEBCG-KGLIPLIRSA-N 1 0 304.438 2.188 20 10 DECDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001253806651 1142947112 /nfs/dbraw/zinc/94/71/12/1142947112.db2.gz HDSFMHGEDPAOSY-KRWDZBQOSA-N 1 0 320.433 2.081 20 10 DECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001254005173 1143025604 /nfs/dbraw/zinc/02/56/04/1143025604.db2.gz TVTUSOSUWIAWJP-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c(O)c1 ZINC001254729768 1143316396 /nfs/dbraw/zinc/31/63/96/1143316396.db2.gz MBQUANIUPSSGLB-VHSXEESVSA-N 1 0 304.312 2.418 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC(C)(C)C2(C)C)cc1 ZINC001340890653 1143481759 /nfs/dbraw/zinc/48/17/59/1143481759.db2.gz PKNMWSHRDKDYLF-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NCC3([NH3+])CC3)c2C)cc1 ZINC001341415049 1143598957 /nfs/dbraw/zinc/59/89/57/1143598957.db2.gz JMBWOLRANSMKCT-UHFFFAOYSA-N 1 0 313.401 2.324 20 10 DECDRO COc1ccc(N2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001256209942 1143836570 /nfs/dbraw/zinc/83/65/70/1143836570.db2.gz XZHXRGJLXIVQHP-UHFFFAOYSA-N 1 0 303.450 2.220 20 10 DECDRO CC(C)OC1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001257870124 1143957064 /nfs/dbraw/zinc/95/70/64/1143957064.db2.gz ZXINFWHCMFFGLX-MQBCKMQZSA-N 1 0 309.406 2.457 20 10 DECDRO Cc1cc(CN2CCC[N@H+](Cc3ccc(N)cc3)CC2)no1 ZINC001262487099 1144315611 /nfs/dbraw/zinc/31/56/11/1144315611.db2.gz KPYCUPDYJGHEBW-UHFFFAOYSA-N 1 0 300.406 2.273 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001262603234 1144322591 /nfs/dbraw/zinc/32/25/91/1144322591.db2.gz BLFIXDQASWMFJZ-MRXNPFEDSA-N 1 0 302.422 2.039 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C2(C3CC[NH2+]CC3)CC2)c1 ZINC001263112563 1144356756 /nfs/dbraw/zinc/35/67/56/1144356756.db2.gz KLZBXFLWEFAKFG-LBPRGKRZSA-N 1 0 318.417 2.358 20 10 DECDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001292011580 1146849166 /nfs/dbraw/zinc/84/91/66/1146849166.db2.gz VESOTGSVSPGWNS-HZSPNIEDSA-N 1 0 320.433 2.123 20 10 DECDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001326724337 1148220491 /nfs/dbraw/zinc/22/04/91/1148220491.db2.gz GRBINUNGLYGLSP-QGZVFWFLSA-N 1 0 317.477 2.439 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373931420 530003415 /nfs/dbraw/zinc/00/34/15/530003415.db2.gz BOEOJERFFDGURA-HUUCEWRRSA-N 1 0 303.406 2.160 20 10 DECDRO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885023 355568943 /nfs/dbraw/zinc/56/89/43/355568943.db2.gz XYSGISKTGFRPFW-IRXDYDNUSA-N 1 0 302.422 2.260 20 10 DECDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC(C)(CO)CO ZINC000093502644 355683756 /nfs/dbraw/zinc/68/37/56/355683756.db2.gz AKOYEKLDAHRAFU-UHFFFAOYSA-N 1 0 315.413 2.482 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000076074386 283297408 /nfs/dbraw/zinc/29/74/08/283297408.db2.gz FYLUBMQBVUOMAS-ZDUSSCGKSA-N 1 0 321.421 2.227 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000092070738 193151685 /nfs/dbraw/zinc/15/16/85/193151685.db2.gz WDXXVBMMAUCVRE-AWEZNQCLSA-N 1 0 316.405 2.295 20 10 DECDRO Cc1nc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000093274037 193222337 /nfs/dbraw/zinc/22/23/37/193222337.db2.gz ZXFIQZGQUJAJJP-UHFFFAOYSA-N 1 0 316.405 2.018 20 10 DECDRO CCN(CCC[NH2+][C@@H](C)c1ccc(C)cc1O)S(C)(=O)=O ZINC000038035465 182975419 /nfs/dbraw/zinc/97/54/19/182975419.db2.gz ZWXOPQUTGCYFFC-ZDUSSCGKSA-N 1 0 314.451 2.023 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000040827164 183138257 /nfs/dbraw/zinc/13/82/57/183138257.db2.gz HTVMEARTBKHVBY-AWEZNQCLSA-N 1 0 303.431 2.292 20 10 DECDRO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000377174400 533651649 /nfs/dbraw/zinc/65/16/49/533651649.db2.gz FRXJGHIDIAXBLE-CQSZACIVSA-N 1 0 315.369 2.309 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc2ccccc2c1O ZINC000273365581 130112577 /nfs/dbraw/zinc/11/25/77/130112577.db2.gz BJFVIMUJTBWMNI-GDBMZVCRSA-N 1 0 313.445 2.442 20 10 DECDRO C[C@@H](NCc1nncn1C)c1cc(Br)ccc1O ZINC000273377011 130114791 /nfs/dbraw/zinc/11/47/91/130114791.db2.gz HKMVZIUCRVCBTF-MRVPVSSYSA-N 1 0 311.183 2.134 20 10 DECDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000273602669 130144162 /nfs/dbraw/zinc/14/41/62/130144162.db2.gz SGTDPNNBOBRJBH-PNESKVBLSA-N 1 0 306.406 2.356 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)CCc2noc(C)n2)c1O ZINC000273697912 130155130 /nfs/dbraw/zinc/15/51/30/130155130.db2.gz CQKGKRZXTHTUAK-UHFFFAOYSA-N 1 0 311.769 2.420 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1O ZINC000275611470 130347115 /nfs/dbraw/zinc/34/71/15/130347115.db2.gz QYFUBJSXVHKDJS-HOCLYGCPSA-N 1 0 301.390 2.444 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc2c(cc1O)CCCC2 ZINC000282904268 130945360 /nfs/dbraw/zinc/94/53/60/130945360.db2.gz WXEHREDCBFZCEQ-NEPJUHHUSA-N 1 0 308.397 2.396 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(O)c1O ZINC000286913393 131254653 /nfs/dbraw/zinc/25/46/53/131254653.db2.gz CYPJVTHEFPEVLQ-OCCSQVGLSA-N 1 0 304.390 2.105 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000289485701 131390176 /nfs/dbraw/zinc/39/01/76/131390176.db2.gz RATLCSAVQOKNEP-LBPRGKRZSA-N 1 0 300.196 2.324 20 10 DECDRO C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000298718504 132074874 /nfs/dbraw/zinc/07/48/74/132074874.db2.gz YSAHJGQTRPDIJQ-UHFFFAOYSA-N 1 0 316.449 2.134 20 10 DECDRO O=C1NCCN1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000127560534 401739741 /nfs/dbraw/zinc/73/97/41/401739741.db2.gz OFQOWZBVUCDXCQ-UHFFFAOYSA-N 1 0 309.797 2.035 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000031728613 401873454 /nfs/dbraw/zinc/87/34/54/401873454.db2.gz NVPYCLHTSLJJDC-UHFFFAOYSA-N 1 0 316.449 2.179 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(O)c1 ZINC000093809081 402020193 /nfs/dbraw/zinc/02/01/93/402020193.db2.gz YWPACJHUQYYECA-ZDUSSCGKSA-N 1 0 306.406 2.268 20 10 DECDRO CC[C@H]([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000121510274 402041000 /nfs/dbraw/zinc/04/10/00/402041000.db2.gz QWPLGGGGGHCMHP-NSHDSACASA-N 1 0 315.211 2.241 20 10 DECDRO COc1cccc(C[NH+]2CCC(c3noc(C)n3)CC2)c1O ZINC000092787837 402009193 /nfs/dbraw/zinc/00/91/93/402009193.db2.gz GBVRPPIAOGEZFH-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000154000663 402186086 /nfs/dbraw/zinc/18/60/86/402186086.db2.gz WZOYKZDNMAJQHL-ZDUSSCGKSA-N 1 0 308.378 2.111 20 10 DECDRO CC[N@H+](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000102010407 402161334 /nfs/dbraw/zinc/16/13/34/402161334.db2.gz QCWNYBAETZBCSI-UHFFFAOYSA-N 1 0 322.428 2.175 20 10 DECDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184896160 402307377 /nfs/dbraw/zinc/30/73/77/402307377.db2.gz PQIJQHBNPWXDMI-VIFPVBQESA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000230199056 402349067 /nfs/dbraw/zinc/34/90/67/402349067.db2.gz GESALUAUCSIBSI-HUTHGQBESA-N 1 0 320.252 2.401 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c1 ZINC000185578174 402362623 /nfs/dbraw/zinc/36/26/23/402362623.db2.gz PVIVKDVMGYODOC-CYBMUJFWSA-N 1 0 314.385 2.416 20 10 DECDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000185647810 402366786 /nfs/dbraw/zinc/36/67/86/402366786.db2.gz HFGXOODCOAGMON-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO COCCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185144857 402328164 /nfs/dbraw/zinc/32/81/64/402328164.db2.gz WTFAMCROHCXJPV-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000165640762 402477237 /nfs/dbraw/zinc/47/72/37/402477237.db2.gz PWYLLYBYTJSOPS-SFHVURJKSA-N 1 0 311.429 2.100 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)no1 ZINC000179608885 402595962 /nfs/dbraw/zinc/59/59/62/402595962.db2.gz YVPNKPQLXRNCAJ-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1 ZINC000179796756 402601020 /nfs/dbraw/zinc/60/10/20/402601020.db2.gz XESUQVKJGHXSSF-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO CC[NH+](CC)CCN(CCOC)Cc1cc(OC)ccc1O ZINC000271739341 402883362 /nfs/dbraw/zinc/88/33/62/402883362.db2.gz QBSZBZNPJGIWOD-UHFFFAOYSA-N 1 0 310.438 2.191 20 10 DECDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)C(F)(F)F ZINC000271795476 402884179 /nfs/dbraw/zinc/88/41/79/402884179.db2.gz HSYJXJGMMFHWFB-RNCFNFMXSA-N 1 0 323.311 2.201 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1OC ZINC000271800063 402884366 /nfs/dbraw/zinc/88/43/66/402884366.db2.gz IQSKFNUFWUAOHU-CYBMUJFWSA-N 1 0 323.389 2.185 20 10 DECDRO O=C1[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC000272501733 402945066 /nfs/dbraw/zinc/94/50/66/402945066.db2.gz VSOCHKHUJJVBBY-MRXNPFEDSA-N 1 0 314.360 2.422 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000279742855 402961788 /nfs/dbraw/zinc/96/17/88/402961788.db2.gz XNBQGKHJDVTYPB-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280250114 402979695 /nfs/dbraw/zinc/97/96/95/402979695.db2.gz KZZAVKXUWFWJAY-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000280258918 402980630 /nfs/dbraw/zinc/98/06/30/402980630.db2.gz JMYRBVYZEFRIQQ-SJORKVTESA-N 1 0 306.450 2.267 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1O ZINC000269736075 403162159 /nfs/dbraw/zinc/16/21/59/403162159.db2.gz VZSURKQANMFFCQ-HNNXBMFYSA-N 1 0 318.417 2.424 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1O ZINC000282892916 403162953 /nfs/dbraw/zinc/16/29/53/403162953.db2.gz ZMRGZLVVVCFVJG-SJKOYZFVSA-N 1 0 307.390 2.422 20 10 DECDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(N2CCCCC2)cc1 ZINC000269761584 403164194 /nfs/dbraw/zinc/16/41/94/403164194.db2.gz BOIREPSTPHQWRJ-GOSISDBHSA-N 1 0 305.466 2.079 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000276381424 403168960 /nfs/dbraw/zinc/16/89/60/403168960.db2.gz AQYKOYRKUQKWEJ-YPMHNXCESA-N 1 0 323.389 2.040 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC000271171109 403272920 /nfs/dbraw/zinc/27/29/20/403272920.db2.gz FAGUCULDCUJHLW-AWEZNQCLSA-N 1 0 300.358 2.449 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1C ZINC000284973529 403275249 /nfs/dbraw/zinc/27/52/49/403275249.db2.gz BGLOMUCCJWTZLW-NVXWUHKLSA-N 1 0 304.434 2.304 20 10 DECDRO COc1cc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000285110890 403278314 /nfs/dbraw/zinc/27/83/14/403278314.db2.gz LUVNBESHPHOERG-DZGCQCFKSA-N 1 0 320.433 2.468 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000292551746 403369813 /nfs/dbraw/zinc/36/98/13/403369813.db2.gz SPJYMYFSZYQDJJ-NVXWUHKLSA-N 1 0 324.428 2.313 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)Cn1cccn1 ZINC000298715780 403446018 /nfs/dbraw/zinc/44/60/18/403446018.db2.gz MMBLTOQHOSELNN-SFHVURJKSA-N 1 0 316.449 2.221 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000294828463 403735652 /nfs/dbraw/zinc/73/56/52/403735652.db2.gz PTSFNBUCQRGGNF-OAHLLOKOSA-N 1 0 322.405 2.454 20 10 DECDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000288420315 403751126 /nfs/dbraw/zinc/75/11/26/403751126.db2.gz AXYZUQRBXXCLPK-WMLDXEAASA-N 1 0 322.474 2.200 20 10 DECDRO Cc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000295197772 403792720 /nfs/dbraw/zinc/79/27/20/403792720.db2.gz YFKYWHWTXFNMDY-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1N(C)C ZINC000295310039 403846679 /nfs/dbraw/zinc/84/66/79/403846679.db2.gz KTTNBWJYLKDNJO-AWEZNQCLSA-N 1 0 316.405 2.117 20 10 DECDRO CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C[NH+]1CCCC1 ZINC000295801938 404012129 /nfs/dbraw/zinc/01/21/29/404012129.db2.gz VZEFSKXVHVNCMF-UHFFFAOYSA-N 1 0 310.369 2.089 20 10 DECDRO Oc1ccccc1C[N@H+](CCc1cn[nH]c1)C[C@H]1CCCO1 ZINC000290055966 404023785 /nfs/dbraw/zinc/02/37/85/404023785.db2.gz PBPGQBZMBFDDOZ-MRXNPFEDSA-N 1 0 301.390 2.339 20 10 DECDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000295526736 403973711 /nfs/dbraw/zinc/97/37/11/403973711.db2.gz VEBGRSRGWZHQCU-UHFFFAOYSA-N 1 0 310.369 2.185 20 10 DECDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000296207218 404144442 /nfs/dbraw/zinc/14/44/42/404144442.db2.gz DGJHULKBCCOREK-CQSZACIVSA-N 1 0 322.405 2.118 20 10 DECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000296452750 404254292 /nfs/dbraw/zinc/25/42/92/404254292.db2.gz MUQLIFJFOZFDJF-MWLCHTKSSA-N 1 0 320.842 2.024 20 10 DECDRO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)n(C)c1C ZINC000291311411 404379782 /nfs/dbraw/zinc/37/97/82/404379782.db2.gz XSULJBBDQBSUNO-UHFFFAOYSA-N 1 0 302.374 2.458 20 10 DECDRO CCN(CC[NH3+])C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000638516839 405520823 /nfs/dbraw/zinc/52/08/23/405520823.db2.gz XPWVCOGJAVGQDI-UHFFFAOYSA-N 1 0 317.433 2.325 20 10 DECDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834898092 649858487 /nfs/dbraw/zinc/85/84/87/649858487.db2.gz ZBUIWSQBLYSXLF-CQSZACIVSA-N 1 0 322.424 2.476 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000834914286 649859342 /nfs/dbraw/zinc/85/93/42/649859342.db2.gz LSWOYNNMFGYWBQ-SLEUVZQESA-N 1 0 304.390 2.205 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc21 ZINC000653144365 425417282 /nfs/dbraw/zinc/41/72/82/425417282.db2.gz QIJFEEYPGNHYKK-OLZOCXBDSA-N 1 0 317.433 2.370 20 10 DECDRO CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285977123 288077891 /nfs/dbraw/zinc/07/78/91/288077891.db2.gz HMARHLMJRZXVTI-CJNGLKHVSA-N 1 0 309.429 2.208 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414492 333208617 /nfs/dbraw/zinc/20/86/17/333208617.db2.gz YSSKSUGOTAHRMV-HUUCEWRRSA-N 1 0 322.449 2.288 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000361797013 336773063 /nfs/dbraw/zinc/77/30/63/336773063.db2.gz GSOGGPSBNGPYCA-SFHVURJKSA-N 1 0 319.424 2.337 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC3(C)OCCO3)CC2)cc1 ZINC000376804570 534001032 /nfs/dbraw/zinc/00/10/32/534001032.db2.gz OEJGDDNYSQROTD-UHFFFAOYSA-N 1 0 306.406 2.017 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C3CC3)CC2)cc1 ZINC000267237092 534013801 /nfs/dbraw/zinc/01/38/01/534013801.db2.gz MBVFPPBEZDURCS-OAHLLOKOSA-N 1 0 303.450 2.205 20 10 DECDRO CNC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027918 649868855 /nfs/dbraw/zinc/86/88/55/649868855.db2.gz IDTLWZSXDOZRSL-NBUZRDOWSA-N 1 0 301.434 2.224 20 10 DECDRO CC(C)COC[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034843 649869475 /nfs/dbraw/zinc/86/94/75/649869475.db2.gz FQSYGPWQMOEWAI-QWNKOJSDSA-N 1 0 306.450 2.389 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000835033300 649869587 /nfs/dbraw/zinc/86/95/87/649869587.db2.gz FFCPTIWWNRBFSW-AATRIKPKSA-N 1 0 317.477 2.466 20 10 DECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000188893044 520199320 /nfs/dbraw/zinc/19/93/20/520199320.db2.gz LNLCSQVRVJHRFO-SECBINFHSA-N 1 0 315.211 2.111 20 10 DECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000186594046 520587041 /nfs/dbraw/zinc/58/70/41/520587041.db2.gz IGOGJZSPVYFDFR-FUHWJXTLSA-N 1 0 305.418 2.277 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000128098545 520892974 /nfs/dbraw/zinc/89/29/74/520892974.db2.gz CHUPUKLGMJIKRE-SFHVURJKSA-N 1 0 305.466 2.295 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1F ZINC000236913547 520903966 /nfs/dbraw/zinc/90/39/66/520903966.db2.gz NPGCEJVWCJPQCO-QGZVFWFLSA-N 1 0 307.413 2.288 20 10 DECDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237129379 522051209 /nfs/dbraw/zinc/05/12/09/522051209.db2.gz LNOSRMACXOUZKT-HNNXBMFYSA-N 1 0 312.417 2.313 20 10 DECDRO COCCOCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163427039 523997102 /nfs/dbraw/zinc/99/71/02/523997102.db2.gz ZFDKKSJILBAJSV-UHFFFAOYSA-N 1 0 322.449 2.307 20 10 DECDRO C[C@H]([NH2+]CCOCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000159099659 525358167 /nfs/dbraw/zinc/35/81/67/525358167.db2.gz RSHWTTDINQDVEV-AWEZNQCLSA-N 1 0 310.413 2.476 20 10 DECDRO CSC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000188057610 525700846 /nfs/dbraw/zinc/70/08/46/525700846.db2.gz GWLPLXDOMXSFAS-CABCVRRESA-N 1 0 311.447 2.097 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1O ZINC000158545806 525945295 /nfs/dbraw/zinc/94/52/95/525945295.db2.gz ZOWMUXDHOXYDOW-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000237651144 525977227 /nfs/dbraw/zinc/97/72/27/525977227.db2.gz FVIPXPLECBZVAO-OAHLLOKOSA-N 1 0 301.342 2.253 20 10 DECDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273552501 536490189 /nfs/dbraw/zinc/49/01/89/536490189.db2.gz GDRZXWBOBSXSAJ-VIFPVBQESA-N 1 0 315.211 2.332 20 10 DECDRO CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+](C)C ZINC000298684598 535401237 /nfs/dbraw/zinc/40/12/37/535401237.db2.gz USTUFVITGBXGFW-HOTGVXAUSA-N 1 0 320.433 2.240 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000835038428 649870246 /nfs/dbraw/zinc/87/02/46/649870246.db2.gz AITOYWMMJZZCIX-OAJJDEHYSA-N 1 0 304.434 2.143 20 10 DECDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H](C(N)=O)C1 ZINC000835047078 649871442 /nfs/dbraw/zinc/87/14/42/649871442.db2.gz XLKWZVNVMLOEML-DSLFPGPSSA-N 1 0 301.434 2.352 20 10 DECDRO COC[C@]1(CO)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055511 649872917 /nfs/dbraw/zinc/87/29/17/649872917.db2.gz VKIVVQQVWZEFRT-PYTPGESOSA-N 1 0 304.434 2.097 20 10 DECDRO CO[C@@H]1COCC[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055564 649872933 /nfs/dbraw/zinc/87/29/33/649872933.db2.gz WIKMFSKSGHIMSZ-HRMTXBTBSA-N 1 0 304.434 2.407 20 10 DECDRO C[N@H+](CC(=O)NC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000835059490 649874066 /nfs/dbraw/zinc/87/40/66/649874066.db2.gz AIDZBQFVKWPLEO-UHFFFAOYSA-N 1 0 301.390 2.287 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835074711 649875889 /nfs/dbraw/zinc/87/58/89/649875889.db2.gz TVHQTVSKFXFARZ-ZFWWWQNUSA-N 1 0 304.390 2.034 20 10 DECDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(-c2nn[nH]n2)c1 ZINC000738410731 598275586 /nfs/dbraw/zinc/27/55/86/598275586.db2.gz MYSLUDPWGXKFQW-UHFFFAOYSA-N 1 0 307.357 2.091 20 10 DECDRO c1sc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1-c1nn[nH]n1 ZINC000823767802 606216653 /nfs/dbraw/zinc/21/66/53/606216653.db2.gz XOFLMYRAMDFZGT-UHFFFAOYSA-N 1 0 313.386 2.153 20 10 DECDRO c1csc(SCCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)n1 ZINC000823815621 606474701 /nfs/dbraw/zinc/47/47/01/606474701.db2.gz GSNXFIMAXKLUPW-UHFFFAOYSA-N 1 0 322.419 2.188 20 10 DECDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000184740537 625346474 /nfs/dbraw/zinc/34/64/74/625346474.db2.gz PWERYRWSVRTNGM-IBGZPJMESA-N 1 0 317.477 2.295 20 10 DECDRO CCOc1cccc(C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)c1O ZINC000186595299 625402109 /nfs/dbraw/zinc/40/21/09/625402109.db2.gz MTYBKBMZVPGPSG-MAUKXSAKSA-N 1 0 323.433 2.447 20 10 DECDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728364 625496569 /nfs/dbraw/zinc/49/65/69/625496569.db2.gz AYMUBZSJMOMOJO-KGLIPLIRSA-N 1 0 306.406 2.125 20 10 DECDRO CN(CC(C)(C)C[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000890882375 623314867 /nfs/dbraw/zinc/31/48/67/623314867.db2.gz MJSQRPWOHLVOIZ-VQHVLOKHSA-N 1 0 306.406 2.157 20 10 DECDRO CC(C)[C@@H](F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246780 623790642 /nfs/dbraw/zinc/79/06/42/623790642.db2.gz DJDKIKGQEXBPJC-HZPDHXFCSA-N 1 0 309.429 2.466 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000891250504 623795790 /nfs/dbraw/zinc/79/57/90/623795790.db2.gz APGYUMDZBABRQE-GDBMZVCRSA-N 1 0 321.490 2.225 20 10 DECDRO Cc1cc[nH]c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249096 623796010 /nfs/dbraw/zinc/79/60/10/623796010.db2.gz PORGFSHWBHXBEG-MRXNPFEDSA-N 1 0 314.433 2.422 20 10 DECDRO CSC[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252915 623798225 /nfs/dbraw/zinc/79/82/25/623798225.db2.gz OMENPCIFLFILLW-XJKSGUPXSA-N 1 0 323.506 2.471 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1F ZINC000891456323 624206361 /nfs/dbraw/zinc/20/63/61/624206361.db2.gz NJBNIVLVLKJILM-CQSZACIVSA-N 1 0 322.428 2.305 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1OC ZINC000892919372 625715306 /nfs/dbraw/zinc/71/53/06/625715306.db2.gz LTRHFXLJVGDFIF-HNNXBMFYSA-N 1 0 317.385 2.103 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000891813869 624612805 /nfs/dbraw/zinc/61/28/05/624612805.db2.gz MFQSQOGVQQKAIN-JQFCIGGWSA-N 1 0 316.449 2.350 20 10 DECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000848559306 624804143 /nfs/dbraw/zinc/80/41/43/624804143.db2.gz RYAKVEBQGPIFGZ-ZANVPECISA-N 1 0 318.211 2.203 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000893052821 625080222 /nfs/dbraw/zinc/08/02/22/625080222.db2.gz HVEQVMMLKJPBKD-KRWDZBQOSA-N 1 0 318.465 2.297 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000178855502 625142067 /nfs/dbraw/zinc/14/20/67/625142067.db2.gz MGPQKDZOIXKNKD-UHFFFAOYSA-N 1 0 302.418 2.500 20 10 DECDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1O ZINC000179891175 625903535 /nfs/dbraw/zinc/90/35/35/625903535.db2.gz WBEVQWOYNNNPIC-LBPRGKRZSA-N 1 0 300.358 2.107 20 10 DECDRO CC(C)[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000999905636 634701572 /nfs/dbraw/zinc/70/15/72/634701572.db2.gz IGNQHAWWKWVOEW-UHFFFAOYSA-N 1 0 317.393 2.450 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000840933988 634780425 /nfs/dbraw/zinc/78/04/25/634780425.db2.gz LJXWOJODEMQPEX-ZWKOTPCHSA-N 1 0 303.450 2.014 20 10 DECDRO COc1cccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1O ZINC000733900747 633295229 /nfs/dbraw/zinc/29/52/29/633295229.db2.gz FDYQCWQHLKFFAA-UHFFFAOYSA-N 1 0 314.389 2.081 20 10 DECDRO CNC(=O)C1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921612613 633746675 /nfs/dbraw/zinc/74/66/75/633746675.db2.gz MPGMHOJDFQKTQV-UHFFFAOYSA-N 1 0 302.418 2.406 20 10 DECDRO CCC[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997390722 633752566 /nfs/dbraw/zinc/75/25/66/633752566.db2.gz HMVXJYOWOSUHSI-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO COC(=O)C1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCC1 ZINC000893529547 634188736 /nfs/dbraw/zinc/18/87/36/634188736.db2.gz YCCLROVWLAZQKP-UHFFFAOYSA-N 1 0 323.389 2.232 20 10 DECDRO c1csc(SCCC[NH2+]Cc2cnc3n2CCOC3)n1 ZINC000921753478 635139191 /nfs/dbraw/zinc/13/91/91/635139191.db2.gz CYBNQGJMMWNRDT-UHFFFAOYSA-N 1 0 310.448 2.142 20 10 DECDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921769192 635170663 /nfs/dbraw/zinc/17/06/63/635170663.db2.gz BGOCHOJHUWKLHY-CVEARBPZSA-N 1 0 323.458 2.457 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000893626721 635289439 /nfs/dbraw/zinc/28/94/39/635289439.db2.gz UXJRRRDYCDYBMT-HZMBPMFUSA-N 1 0 323.824 2.328 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000840947501 635292337 /nfs/dbraw/zinc/29/23/37/635292337.db2.gz WYOZPVGUJFADJI-CYBMUJFWSA-N 1 0 310.463 2.116 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCCOC1 ZINC000893662545 635741460 /nfs/dbraw/zinc/74/14/60/635741460.db2.gz XPEQSJJOTWCZPH-GOSISDBHSA-N 1 0 319.401 2.214 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCF)C2)cc1 ZINC001016380605 635927737 /nfs/dbraw/zinc/92/77/37/635927737.db2.gz FDGDGVAEQRPXOP-CYBMUJFWSA-N 1 0 321.356 2.013 20 10 DECDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CS1(=O)=O ZINC000922244501 636029538 /nfs/dbraw/zinc/02/95/38/636029538.db2.gz NMOXTUWOJCPCJD-WFASDCNBSA-N 1 0 309.431 2.067 20 10 DECDRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000922407613 636163968 /nfs/dbraw/zinc/16/39/68/636163968.db2.gz XKZFSKFFNVKEDU-JSGCOSHPSA-N 1 0 316.405 2.117 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000922486494 636197506 /nfs/dbraw/zinc/19/75/06/636197506.db2.gz VGNCKOSPOADMGA-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO COc1ccc(C[NH2+]CCc2cccc(C)n2)c(O)c1OC ZINC000894134310 636265765 /nfs/dbraw/zinc/26/57/65/636265765.db2.gz INQPYCMJIKPZLC-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922954006 636881025 /nfs/dbraw/zinc/88/10/25/636881025.db2.gz GBAXLRZVSIYALD-AWEZNQCLSA-N 1 0 312.360 2.013 20 10 DECDRO COc1ccc(CN2CCC[C@@H]2c2nc(C)no2)c(O)c1OC ZINC000894440841 637035501 /nfs/dbraw/zinc/03/55/01/637035501.db2.gz MIRDYQMVUKAUIG-GFCCVEGCSA-N 1 0 319.361 2.438 20 10 DECDRO COc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)c(O)c1OC ZINC000894561370 637100978 /nfs/dbraw/zinc/10/09/78/637100978.db2.gz NDMWIFWGHOTNCU-CQSZACIVSA-N 1 0 311.378 2.042 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1O ZINC000894563336 637106671 /nfs/dbraw/zinc/10/66/71/637106671.db2.gz NMJJRCOOIZOMQF-UHFFFAOYSA-N 1 0 300.358 2.368 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCN(C)C3=O)c2c1 ZINC000738265673 637409625 /nfs/dbraw/zinc/40/96/25/637409625.db2.gz JFWAZOQCWAYNFH-MRXNPFEDSA-N 1 0 314.385 2.217 20 10 DECDRO COCCC1(C)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839143335 637804650 /nfs/dbraw/zinc/80/46/50/637804650.db2.gz PGGMYEQJFXGIQU-UHFFFAOYSA-N 1 0 304.434 2.382 20 10 DECDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000839185734 637813313 /nfs/dbraw/zinc/81/33/13/637813313.db2.gz YMEWCVMPOAJIIV-OAHLLOKOSA-N 1 0 317.385 2.275 20 10 DECDRO C[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882556 637814624 /nfs/dbraw/zinc/81/46/24/637814624.db2.gz KFSMXNIOUCEDKK-CYBMUJFWSA-N 1 0 306.454 2.440 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1O ZINC000895238098 637828332 /nfs/dbraw/zinc/82/83/32/637828332.db2.gz VLALWODVBQRYBE-VNQPRFMTSA-N 1 0 323.433 2.365 20 10 DECDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000895318558 637924395 /nfs/dbraw/zinc/92/43/95/637924395.db2.gz WGUVZUKCCGACRZ-INIZCTEOSA-N 1 0 301.434 2.291 20 10 DECDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000727473532 637957478 /nfs/dbraw/zinc/95/74/78/637957478.db2.gz CAWZUWQLUXWPLP-INIZCTEOSA-N 1 0 318.465 2.425 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(Cl)c1 ZINC000840916345 650379822 /nfs/dbraw/zinc/37/98/22/650379822.db2.gz IWSBCCDEESYZON-UHFFFAOYSA-N 1 0 319.792 2.006 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000840914191 650379833 /nfs/dbraw/zinc/37/98/33/650379833.db2.gz RBACWRPWZXIHNI-RTBURBONSA-N 1 0 317.477 2.092 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c1O ZINC000895436299 638022345 /nfs/dbraw/zinc/02/23/45/638022345.db2.gz AZWDHGXQLYVZLR-HNNXBMFYSA-N 1 0 306.406 2.200 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000840939560 650390534 /nfs/dbraw/zinc/39/05/34/650390534.db2.gz NUGWKTIRCCNDQO-GOSISDBHSA-N 1 0 322.449 2.243 20 10 DECDRO Cc1cc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950061 650393594 /nfs/dbraw/zinc/39/35/94/650393594.db2.gz IZOQHWKIBBUOCS-LLVKDONJSA-N 1 0 317.838 2.221 20 10 DECDRO CC(C)(CC[NH2+]Cc1cc(Cl)ccc1O)S(C)(=O)=O ZINC000840960803 650394890 /nfs/dbraw/zinc/39/48/90/650394890.db2.gz VARLRSUEZLOVIM-UHFFFAOYSA-N 1 0 305.827 2.349 20 10 DECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000743498658 638153218 /nfs/dbraw/zinc/15/32/18/638153218.db2.gz CCARCZAORMKWSD-DOTOQJQBSA-N 1 0 306.450 2.410 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000743811734 638175930 /nfs/dbraw/zinc/17/59/30/638175930.db2.gz WMTPILWJYRUXKJ-ZFWWWQNUSA-N 1 0 304.438 2.035 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c(O)c1OC ZINC000895931701 638273246 /nfs/dbraw/zinc/27/32/46/638273246.db2.gz DQFNLPUDGIOPNW-ZDUSSCGKSA-N 1 0 309.406 2.392 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c1 ZINC000896239323 638431924 /nfs/dbraw/zinc/43/19/24/638431924.db2.gz JDJUMTJLQRROHM-GFCCVEGCSA-N 1 0 303.362 2.472 20 10 DECDRO COc1cc(C)cc(C[NH2+]Cc2cc(N(C)C)ccn2)c1O ZINC000896298041 638455125 /nfs/dbraw/zinc/45/51/25/638455125.db2.gz HEDUGWDYZHSBNX-UHFFFAOYSA-N 1 0 301.390 2.460 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000896396390 638502182 /nfs/dbraw/zinc/50/21/82/638502182.db2.gz PJNFKAIJHYUCPN-SJCJKPOMSA-N 1 0 320.389 2.111 20 10 DECDRO CCC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1CCOC ZINC000841298880 650471523 /nfs/dbraw/zinc/47/15/23/650471523.db2.gz SITZWUHKRMFKAH-MRXNPFEDSA-N 1 0 320.437 2.233 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1C ZINC000897027923 639131506 /nfs/dbraw/zinc/13/15/06/639131506.db2.gz VASJKVRQPRRVQJ-OAHLLOKOSA-N 1 0 304.390 2.329 20 10 DECDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(O)c1 ZINC000897177530 639226207 /nfs/dbraw/zinc/22/62/07/639226207.db2.gz QRJRAYGTHTYMNH-MRXNPFEDSA-N 1 0 305.418 2.454 20 10 DECDRO COC(=O)C[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000754541818 639442011 /nfs/dbraw/zinc/44/20/11/639442011.db2.gz STZVKXQIMJCOEJ-CQSZACIVSA-N 1 0 309.337 2.165 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756547348 639672280 /nfs/dbraw/zinc/67/22/80/639672280.db2.gz ZXKCZTBUOMFDOJ-SCRDCRAPSA-N 1 0 308.397 2.390 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000841716629 650549653 /nfs/dbraw/zinc/54/96/53/650549653.db2.gz CDSICORMEVLGDL-RHSMWYFYSA-N 1 0 318.465 2.330 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1=CC[NH2+]CC1 ZINC000841709638 650546957 /nfs/dbraw/zinc/54/69/57/650546957.db2.gz JDFYXFMOUVFIMQ-UHFFFAOYSA-N 1 0 314.433 2.006 20 10 DECDRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709128 650546984 /nfs/dbraw/zinc/54/69/84/650546984.db2.gz CJETWHSKGJCSCC-INIZCTEOSA-N 1 0 316.449 2.167 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[NH2+]CC3)ccc21 ZINC000841760068 650558451 /nfs/dbraw/zinc/55/84/51/650558451.db2.gz SNRWZRHTESCLSU-MRXNPFEDSA-N 1 0 316.449 2.010 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000841757826 650557921 /nfs/dbraw/zinc/55/79/21/650557921.db2.gz AZEUNOOSUCMIOX-CZUORRHYSA-N 1 0 316.449 2.009 20 10 DECDRO CCC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000760840544 640234063 /nfs/dbraw/zinc/23/40/63/640234063.db2.gz IAQYWOANPZHNOX-CQSZACIVSA-N 1 0 311.447 2.429 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000841793691 650565339 /nfs/dbraw/zinc/56/53/39/650565339.db2.gz OSZXXBLQLPEVPA-INIZCTEOSA-N 1 0 316.449 2.166 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773560 640251530 /nfs/dbraw/zinc/25/15/30/640251530.db2.gz BTWHUVHZJDLIFD-ZDUSSCGKSA-N 1 0 316.405 2.202 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773557 640251916 /nfs/dbraw/zinc/25/19/16/640251916.db2.gz BTWHUVHZJDLIFD-CYBMUJFWSA-N 1 0 316.405 2.202 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1F ZINC000841798719 650567752 /nfs/dbraw/zinc/56/77/52/650567752.db2.gz MLIMRTIGFFXBDQ-UHFFFAOYSA-N 1 0 322.428 2.305 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]1 ZINC000841831154 650574906 /nfs/dbraw/zinc/57/49/06/650574906.db2.gz CLJINHLANHHHAR-ZBFHGGJFSA-N 1 0 314.433 2.003 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(O)c1OC ZINC000897501432 640504959 /nfs/dbraw/zinc/50/49/59/640504959.db2.gz UEFMVSHQTGUDCP-UONOGXRCSA-N 1 0 307.390 2.457 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2ccc(F)nn2)[NH+](C)C)cc1 ZINC000897521782 640537725 /nfs/dbraw/zinc/53/77/25/640537725.db2.gz IYQKHVZJDPHKLE-CQSZACIVSA-N 1 0 303.385 2.397 20 10 DECDRO COc1cccc(O)c1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000763626891 640556046 /nfs/dbraw/zinc/55/60/46/640556046.db2.gz QEMYORXBJGFSEY-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO C[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841881959 650592356 /nfs/dbraw/zinc/59/23/56/650592356.db2.gz FTUSXDFCZZNUBO-CXAGYDPISA-N 1 0 316.449 2.350 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000237412692 640610647 /nfs/dbraw/zinc/61/06/47/640610647.db2.gz XTCSCERBRMAMKV-IUODEOHRSA-N 1 0 312.417 2.441 20 10 DECDRO Cc1cc(NCc2cccc(Br)c2O)nc(N)[nH+]1 ZINC000764935283 640716426 /nfs/dbraw/zinc/71/64/26/640716426.db2.gz QUONRPAOXCZFHJ-UHFFFAOYSA-N 1 0 309.167 2.447 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCC[NH2+]C1 ZINC000841923436 650603365 /nfs/dbraw/zinc/60/33/65/650603365.db2.gz GRWBCOPLBYRDLY-CYBMUJFWSA-N 1 0 317.433 2.070 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000729512855 640787162 /nfs/dbraw/zinc/78/71/62/640787162.db2.gz URSUMUSWVQRROE-INIZCTEOSA-N 1 0 303.450 2.443 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000841943094 650607911 /nfs/dbraw/zinc/60/79/11/650607911.db2.gz FJAGVJOMWSKUDB-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO COc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1OC ZINC000897779158 640930017 /nfs/dbraw/zinc/93/00/17/640930017.db2.gz NDQOWBYBSAKEKB-FFLHNBHYSA-N 1 0 307.390 2.457 20 10 DECDRO COc1cc(C[NH2+][C@@]2(C)CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000897870143 640957811 /nfs/dbraw/zinc/95/78/11/640957811.db2.gz YGMPYHIKOAMBFC-KRWDZBQOSA-N 1 0 306.406 2.067 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898054236 641015265 /nfs/dbraw/zinc/01/52/65/641015265.db2.gz STUGTKOFKOPLBI-QGZVFWFLSA-N 1 0 301.390 2.230 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000842003704 650625221 /nfs/dbraw/zinc/62/52/21/650625221.db2.gz JLKMNMGFERDDPZ-OLZOCXBDSA-N 1 0 321.421 2.293 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461862 641085004 /nfs/dbraw/zinc/08/50/04/641085004.db2.gz GQTSOKSVXDHWBT-DCGLDWPTSA-N 1 0 319.401 2.067 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1F ZINC000768530186 641093402 /nfs/dbraw/zinc/09/34/02/641093402.db2.gz IEQBMGMDTWYEJH-AWEZNQCLSA-N 1 0 308.397 2.383 20 10 DECDRO COc1cccc(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1O ZINC000768926765 641144411 /nfs/dbraw/zinc/14/44/11/641144411.db2.gz NDRMQAXEPCXYQZ-UHFFFAOYSA-N 1 0 300.358 2.132 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769551128 641259118 /nfs/dbraw/zinc/25/91/18/641259118.db2.gz VGZAJQUFTXKDQR-CYBMUJFWSA-N 1 0 301.390 2.199 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(O)c1 ZINC000770388011 641363617 /nfs/dbraw/zinc/36/36/17/641363617.db2.gz SJVOTRPNZPTANX-CQSZACIVSA-N 1 0 316.405 2.295 20 10 DECDRO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000771753806 641545262 /nfs/dbraw/zinc/54/52/62/641545262.db2.gz MCFJFLQJBJDLGH-GOSISDBHSA-N 1 0 322.449 2.279 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCOC1 ZINC000898449423 641660838 /nfs/dbraw/zinc/66/08/38/641660838.db2.gz FCHPFOWTUAMGDM-QILLFSRXSA-N 1 0 305.466 2.370 20 10 DECDRO CO[C@@H](C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000898447445 641665695 /nfs/dbraw/zinc/66/56/95/641665695.db2.gz KHFLHWNVBXPLMC-ROUUACIJSA-N 1 0 305.466 2.370 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1 ZINC000898468189 641671110 /nfs/dbraw/zinc/67/11/10/641671110.db2.gz WEPMPEQCSYUIEM-DOTOQJQBSA-N 1 0 304.390 2.082 20 10 DECDRO COCC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000773273022 641751947 /nfs/dbraw/zinc/75/19/47/641751947.db2.gz VRKOLAFWDJNIDL-HNNXBMFYSA-N 1 0 307.390 2.067 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1 ZINC000773748303 641818871 /nfs/dbraw/zinc/81/88/71/641818871.db2.gz CSXBIWCUXNRFRN-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC=CCC2)[NH+](C)C)cc1 ZINC000899105230 641936710 /nfs/dbraw/zinc/93/67/10/641936710.db2.gz VSRRESOILQKZSO-QGZVFWFLSA-N 1 0 316.449 2.327 20 10 DECDRO COc1c(O)c(CNc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000775060756 642002317 /nfs/dbraw/zinc/00/23/17/642002317.db2.gz MTFQAWFLTCLZIT-UHFFFAOYSA-N 1 0 318.333 2.382 20 10 DECDRO COc1c(O)c(C[NH2+][C@H](CO)c2ccsc2)ccc1[N+](=O)[O-] ZINC000775072012 642003875 /nfs/dbraw/zinc/00/38/75/642003875.db2.gz VQCVVFJALVCGSI-LLVKDONJSA-N 1 0 324.358 2.194 20 10 DECDRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000775410364 642040116 /nfs/dbraw/zinc/04/01/16/642040116.db2.gz KOPBVDCQXBKYCO-BBRMVZONSA-N 1 0 321.490 2.367 20 10 DECDRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775832734 642103259 /nfs/dbraw/zinc/10/32/59/642103259.db2.gz AZGMCFLVFBVBFX-CYBMUJFWSA-N 1 0 320.437 2.029 20 10 DECDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000899559161 642106061 /nfs/dbraw/zinc/10/60/61/642106061.db2.gz MGIXASAKBXODKY-UHFFFAOYSA-N 1 0 304.390 2.188 20 10 DECDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467646 642268916 /nfs/dbraw/zinc/26/89/16/642268916.db2.gz MFSQCWKOQMOZND-QFBILLFUSA-N 1 0 317.477 2.295 20 10 DECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000779022505 642457099 /nfs/dbraw/zinc/45/70/99/642457099.db2.gz CTRGLTIHRUCTLB-AWEZNQCLSA-N 1 0 324.440 2.428 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000782633395 642909825 /nfs/dbraw/zinc/90/98/25/642909825.db2.gz GSBCTHISYZLGAY-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000902419726 643033523 /nfs/dbraw/zinc/03/35/23/643033523.db2.gz SIQZULJNRQPZEG-CYBMUJFWSA-N 1 0 300.358 2.325 20 10 DECDRO COc1ccc(N2CCC(N[C@@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000902448688 643044941 /nfs/dbraw/zinc/04/49/41/643044941.db2.gz GZEZIZHKXPMRSK-QGZVFWFLSA-N 1 0 303.450 2.252 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3csc(N)n3)CC2)cc1 ZINC000902491680 643051263 /nfs/dbraw/zinc/05/12/63/643051263.db2.gz RNYSHZGHXWQMOD-UHFFFAOYSA-N 1 0 318.446 2.493 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCOC3)CC1)[C@H](O)CO2 ZINC000784006303 643082224 /nfs/dbraw/zinc/08/22/24/643082224.db2.gz FOTJQXJJEBMNFI-CXAGYDPISA-N 1 0 319.401 2.067 20 10 DECDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000902617148 643085744 /nfs/dbraw/zinc/08/57/44/643085744.db2.gz MSVOMJQSPZSSJB-UGSOOPFHSA-N 1 0 311.385 2.028 20 10 DECDRO C/C=C/C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730195062 643143219 /nfs/dbraw/zinc/14/32/19/643143219.db2.gz ZQGHVXXNPDUBOO-HWKANZROSA-N 1 0 305.397 2.160 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000903348277 643322248 /nfs/dbraw/zinc/32/22/48/643322248.db2.gz YPZZFPYZQNWDRI-CYBMUJFWSA-N 1 0 321.417 2.373 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000786943882 643431761 /nfs/dbraw/zinc/43/17/61/643431761.db2.gz BEKSXBDDBSPYBU-SKDRFNHKSA-N 1 0 313.394 2.104 20 10 DECDRO COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903984334 643539541 /nfs/dbraw/zinc/53/95/41/643539541.db2.gz UIBMGAYLGQEFBS-VXGBXAGGSA-N 1 0 304.312 2.112 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CCC[C@H](C)O)c1O ZINC000788524928 643620793 /nfs/dbraw/zinc/62/07/93/643620793.db2.gz ZGPUUUZDUKXEFW-VIFPVBQESA-N 1 0 318.211 2.414 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905122745 643797156 /nfs/dbraw/zinc/79/71/56/643797156.db2.gz UROFAGBMPAWMQG-GOSISDBHSA-N 1 0 320.477 2.454 20 10 DECDRO CC(C)(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000790431172 643851937 /nfs/dbraw/zinc/85/19/37/643851937.db2.gz 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DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000824654768 648630491 /nfs/dbraw/zinc/63/04/91/648630491.db2.gz QIQZHZVQTMXLPL-KBAYOESNSA-N 1 0 304.434 2.114 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824655724 648630791 /nfs/dbraw/zinc/63/07/91/648630791.db2.gz ZLOVCAJHNSPKOG-ARFHVFGLSA-N 1 0 321.417 2.153 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c1 ZINC000824677634 648634200 /nfs/dbraw/zinc/63/42/00/648634200.db2.gz HAUJFNPQSTXDJE-INIZCTEOSA-N 1 0 308.422 2.383 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000824710190 648640196 /nfs/dbraw/zinc/64/01/96/648640196.db2.gz TZNUSQFVLAMROE-JKSUJKDBSA-N 1 0 324.852 2.385 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000824710542 648640330 /nfs/dbraw/zinc/64/03/30/648640330.db2.gz ZWPPAPAATDDXBS-QMTHXVAHSA-N 1 0 315.797 2.195 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000825045025 648691019 /nfs/dbraw/zinc/69/10/19/648691019.db2.gz ATQQELCHBDPRPN-GOEBONIOSA-N 1 0 301.390 2.444 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)nc1 ZINC000825305234 648738934 /nfs/dbraw/zinc/73/89/34/648738934.db2.gz DVOMVEGYWNWLBB-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NC ZINC000825315474 648740405 /nfs/dbraw/zinc/74/04/05/648740405.db2.gz BQLJELPAGXDJIR-ZDUSSCGKSA-N 1 0 317.355 2.386 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000182405837 648901260 /nfs/dbraw/zinc/90/12/60/648901260.db2.gz KLCOERPMKXTGNG-KGLIPLIRSA-N 1 0 317.385 2.491 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(OC)C2)c1O ZINC000826952100 648952074 /nfs/dbraw/zinc/95/20/74/648952074.db2.gz GKGVHZYQFRVKEX-OAHLLOKOSA-N 1 0 315.797 2.028 20 10 DECDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827018083 648961249 /nfs/dbraw/zinc/96/12/49/648961249.db2.gz RXJLTPHVWPFJAN-KDURUIRLSA-N 1 0 316.445 2.382 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000827133663 648978191 /nfs/dbraw/zinc/97/81/91/648978191.db2.gz WAYFTNBQPNVZGO-SCQSPADBSA-N 1 0 313.445 2.366 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133568 648978562 /nfs/dbraw/zinc/97/85/62/648978562.db2.gz UWCYIWOFIHTFDL-MFKMUULPSA-N 1 0 324.808 2.155 20 10 DECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000827341122 649018559 /nfs/dbraw/zinc/01/85/59/649018559.db2.gz ZMIYTAGNNRDLBA-UHFFFAOYSA-N 1 0 316.785 2.184 20 10 DECDRO COc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183274890 649055090 /nfs/dbraw/zinc/05/50/90/649055090.db2.gz LVQBLDRJQKIMCZ-UHFFFAOYSA-N 1 0 307.390 2.030 20 10 DECDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000827751737 649080516 /nfs/dbraw/zinc/08/05/16/649080516.db2.gz WPWAIVRCZZVSOH-WBVHZDCISA-N 1 0 321.373 2.332 20 10 DECDRO COC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000827821394 649090708 /nfs/dbraw/zinc/09/07/08/649090708.db2.gz XARATYIWUKXUJL-KRWDZBQOSA-N 1 0 319.449 2.045 20 10 DECDRO c1[nH]nc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000828013986 649121057 /nfs/dbraw/zinc/12/10/57/649121057.db2.gz QFMFXNLHRZZACO-UHFFFAOYSA-N 1 0 312.417 2.195 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353369 649169044 /nfs/dbraw/zinc/16/90/44/649169044.db2.gz NANPJGAHVLHSKI-SFHVURJKSA-N 1 0 319.449 2.298 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000828667801 649207827 /nfs/dbraw/zinc/20/78/27/649207827.db2.gz UXEFOXVSGRRGGF-KHIZAZIESA-N 1 0 306.406 2.486 20 10 DECDRO C[C@H]([NH3+])CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003553 649258414 /nfs/dbraw/zinc/25/84/14/649258414.db2.gz PEKLRWBBUUEJCZ-DZGCQCFKSA-N 1 0 306.406 2.027 20 10 DECDRO Cc1cc(C(=O)CN(C)CCCO)c(C)n1-c1ccc(F)cn1 ZINC000829468919 649311545 /nfs/dbraw/zinc/31/15/45/649311545.db2.gz UPERILAZIKWUAK-UHFFFAOYSA-N 1 0 319.380 2.125 20 10 DECDRO C[NH+](C)C[C@@H]1CN(C(=O)C2=CC(=O)CS2)c2ccccc2O1 ZINC000830174509 649404286 /nfs/dbraw/zinc/40/42/86/649404286.db2.gz NCRMHGWHDLTBQK-GFCCVEGCSA-N 1 0 318.398 2.423 20 10 DECDRO COc1ccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c(O)c1 ZINC000832177889 649681677 /nfs/dbraw/zinc/68/16/77/649681677.db2.gz IUPGOTLMKBNLQX-SJKOYZFVSA-N 1 0 314.385 2.353 20 10 DECDRO COc1ccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000832178085 649682029 /nfs/dbraw/zinc/68/20/29/649682029.db2.gz NCYZYKJCTFSOTJ-QWHCGFSZSA-N 1 0 306.406 2.043 20 10 DECDRO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)n1-c1ccccn1 ZINC000834314584 649780313 /nfs/dbraw/zinc/78/03/13/649780313.db2.gz JYSAHSABFQFOPY-WBVHZDCISA-N 1 0 324.428 2.265 20 10 DECDRO CC1([NH+]2CCC2)CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000834782860 649844370 /nfs/dbraw/zinc/84/43/70/649844370.db2.gz AZODFYUPNVUNLY-UHFFFAOYSA-N 1 0 304.390 2.235 20 10 DECDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000844177320 651086759 /nfs/dbraw/zinc/08/67/59/651086759.db2.gz IYHNUWBFFORTDV-CJNGLKHVSA-N 1 0 301.434 2.073 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000844177889 651087219 /nfs/dbraw/zinc/08/72/19/651087219.db2.gz RDQFLHLDGOOFQF-QGZVFWFLSA-N 1 0 315.461 2.463 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)N2CCCC2)cc1 ZINC000844401356 651123275 /nfs/dbraw/zinc/12/32/75/651123275.db2.gz JWHMZNRCIRLSRD-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000846052711 651304700 /nfs/dbraw/zinc/30/47/00/651304700.db2.gz JKKKNBQANATWBZ-QZTJIDSGSA-N 1 0 304.434 2.259 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)ccc1OC ZINC000846092223 651307082 /nfs/dbraw/zinc/30/70/82/651307082.db2.gz AHGCUVJEBXIYIS-HNNXBMFYSA-N 1 0 320.433 2.190 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)c1O ZINC000846141105 651310410 /nfs/dbraw/zinc/31/04/10/651310410.db2.gz DLFKDXKJKXHDFQ-ZDUSSCGKSA-N 1 0 314.385 2.481 20 10 DECDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147084 651310903 /nfs/dbraw/zinc/31/09/03/651310903.db2.gz SMIFHAUGFJUFEO-UONOGXRCSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000846162409 651312125 /nfs/dbraw/zinc/31/21/25/651312125.db2.gz GZLASMLCQVUWFQ-NWDGAFQWSA-N 1 0 313.419 2.019 20 10 DECDRO COCCn1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)cn1 ZINC000846167156 651312620 /nfs/dbraw/zinc/31/26/20/651312620.db2.gz HDKVARBXBSJSHZ-GFCCVEGCSA-N 1 0 305.378 2.095 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000846171492 651312825 /nfs/dbraw/zinc/31/28/25/651312825.db2.gz HIVKRZMXWHJNRB-AVGNSLFASA-N 1 0 306.406 2.343 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000846171761 651312918 /nfs/dbraw/zinc/31/29/18/651312918.db2.gz HIVKRZMXWHJNRB-JHJVBQTASA-N 1 0 306.406 2.343 20 10 DECDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000846208305 651315156 /nfs/dbraw/zinc/31/51/56/651315156.db2.gz IEULDCFEJCNJAA-GXTWGEPZSA-N 1 0 314.376 2.033 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)ccc21 ZINC000846672723 651344674 /nfs/dbraw/zinc/34/46/74/651344674.db2.gz JNVLBLNSAWCSCX-IRXDYDNUSA-N 1 0 313.445 2.216 20 10 DECDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(O)c1O ZINC000848352147 651453914 /nfs/dbraw/zinc/45/39/14/651453914.db2.gz LUGIZXYEBZGDON-KGLIPLIRSA-N 1 0 304.390 2.153 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000848427864 651458410 /nfs/dbraw/zinc/45/84/10/651458410.db2.gz RDNQEEHXKQRZRQ-UHFFFAOYSA-N 1 0 316.405 2.207 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848427390 651458562 /nfs/dbraw/zinc/45/85/62/651458562.db2.gz LKNFPZRQMGIKOW-FUHWJXTLSA-N 1 0 301.434 2.101 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)cc1 ZINC000848562513 651470891 /nfs/dbraw/zinc/47/08/91/651470891.db2.gz DXWSARZRZZZDDK-ZFWWWQNUSA-N 1 0 313.449 2.479 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000848566377 651472292 /nfs/dbraw/zinc/47/22/92/651472292.db2.gz WDZODYKBDHBNCN-MBVDDHJVSA-N 1 0 311.433 2.041 20 10 DECDRO CCc1cccc(C[NH2+]C2CCN(C(=O)CCOC)CC2)c1O ZINC000848899460 651551819 /nfs/dbraw/zinc/55/18/19/651551819.db2.gz OMCTUYCGBHJKLG-UHFFFAOYSA-N 1 0 320.433 2.072 20 10 DECDRO CCc1cccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC000848908125 651554548 /nfs/dbraw/zinc/55/45/48/651554548.db2.gz WXRQNGJZSMXUIG-UHFFFAOYSA-N 1 0 302.418 2.399 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000848913813 651558521 /nfs/dbraw/zinc/55/85/21/651558521.db2.gz FPNLZTMMQCSKNX-ZDUSSCGKSA-N 1 0 311.447 2.211 20 10 DECDRO CCc1cccc(C[N@H+](CCOC)C[C@H](O)C(F)(F)F)c1O ZINC000848922247 651562148 /nfs/dbraw/zinc/56/21/48/651562148.db2.gz OILMFDHMPTUMSL-ZDUSSCGKSA-N 1 0 321.339 2.326 20 10 DECDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1C ZINC000850078884 651822193 /nfs/dbraw/zinc/82/21/93/651822193.db2.gz ZBFDUKDJIUQUPR-CQSZACIVSA-N 1 0 314.433 2.416 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1C ZINC000850345032 651904697 /nfs/dbraw/zinc/90/46/97/651904697.db2.gz GXSUCLRSFJYHBD-UHFFFAOYSA-N 1 0 311.447 2.314 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)nn(C)c3C)C2)cc1 ZINC000850345452 651905051 /nfs/dbraw/zinc/90/50/51/651905051.db2.gz APXBLBVLFBLKDX-HNNXBMFYSA-N 1 0 314.433 2.414 20 10 DECDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000856410738 651922745 /nfs/dbraw/zinc/92/27/45/651922745.db2.gz ODEYOKHDDFWYGB-LBPRGKRZSA-N 1 0 324.446 2.169 20 10 DECDRO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000850485885 651937733 /nfs/dbraw/zinc/93/77/33/651937733.db2.gz OQFWPBDDQLYHCG-ZDUSSCGKSA-N 1 0 309.431 2.184 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccn(C)n3)C2)cc1 ZINC000850487602 651937839 /nfs/dbraw/zinc/93/78/39/651937839.db2.gz OEPHGDDQCRBVTO-ZIAGYGMSSA-N 1 0 300.406 2.358 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(O)c1O ZINC000856480095 651939054 /nfs/dbraw/zinc/93/90/54/651939054.db2.gz QLWUBGPTBOYSKB-CQSZACIVSA-N 1 0 318.417 2.258 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000850554954 651952823 /nfs/dbraw/zinc/95/28/23/651952823.db2.gz FTCUWMICSSTDJI-DZGCQCFKSA-N 1 0 320.433 2.305 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000850566752 651953956 /nfs/dbraw/zinc/95/39/56/651953956.db2.gz RYUIQHWBIBSOIL-CQSZACIVSA-N 1 0 314.433 2.232 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cn[nH]c1 ZINC000850567414 651954123 /nfs/dbraw/zinc/95/41/23/651954123.db2.gz BQMXWKLGDJUART-CYBMUJFWSA-N 1 0 300.406 2.222 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)c2ccco2)cc1F ZINC000858090493 652251149 /nfs/dbraw/zinc/25/11/49/652251149.db2.gz HRESAHPJKJFINV-UHFFFAOYSA-N 1 0 323.343 2.143 20 10 DECDRO COCCOC[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145874 652264749 /nfs/dbraw/zinc/26/47/49/652264749.db2.gz IFUZWELMVGSORU-NSHDSACASA-N 1 0 302.365 2.172 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(C)ccc2O)C1 ZINC000858282201 652295577 /nfs/dbraw/zinc/29/55/77/652295577.db2.gz UJNYMHLHYKMMJM-AWEZNQCLSA-N 1 0 305.422 2.232 20 10 DECDRO CC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000858434445 652335505 /nfs/dbraw/zinc/33/55/05/652335505.db2.gz HBVUPMKYYCTYCF-CVEARBPZSA-N 1 0 302.422 2.260 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(NC(=O)OC)CC2)cc1 ZINC000852763990 652452876 /nfs/dbraw/zinc/45/28/76/652452876.db2.gz DARRPFBZSQXZSF-UHFFFAOYSA-N 1 0 305.422 2.463 20 10 DECDRO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000852854965 652470500 /nfs/dbraw/zinc/47/05/00/652470500.db2.gz CTBFNCAGUHTICG-INIZCTEOSA-N 1 0 301.434 2.335 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)ccc21 ZINC000852863615 652472129 /nfs/dbraw/zinc/47/21/29/652472129.db2.gz QAWVDBDWUARRRV-INIZCTEOSA-N 1 0 301.434 2.073 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000852870827 652473298 /nfs/dbraw/zinc/47/32/98/652473298.db2.gz GVITUBMFGBCJNX-UHFFFAOYSA-N 1 0 316.405 2.173 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C3CCCC3)CC2)cc1 ZINC000378908701 685388980 /nfs/dbraw/zinc/38/89/80/685388980.db2.gz NUZCTRJWLWMVOJ-UHFFFAOYSA-N 1 0 303.450 2.349 20 10 DECDRO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(O)c1 ZINC000046836244 683906680 /nfs/dbraw/zinc/90/66/80/683906680.db2.gz SNOMLQGOZQDIJW-AWEZNQCLSA-N 1 0 309.329 2.247 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126668906 684156773 /nfs/dbraw/zinc/15/67/73/684156773.db2.gz NECNFCASKOXIFD-MRXNPFEDSA-N 1 0 310.463 2.200 20 10 DECDRO C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000127251663 684161608 /nfs/dbraw/zinc/16/16/08/684161608.db2.gz VFACPZDVIVQPBJ-HOCLYGCPSA-N 1 0 303.450 2.395 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)c1 ZINC000191680963 684435072 /nfs/dbraw/zinc/43/50/72/684435072.db2.gz ZLMNCZDJEUWKGN-MRXNPFEDSA-N 1 0 301.386 2.402 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)F)C[C@@H]2C)cc1C ZINC001054307195 693922364 /nfs/dbraw/zinc/92/23/64/693922364.db2.gz CPZREACHTGQGIY-WCQYABFASA-N 1 0 312.360 2.205 20 10 DECDRO CCC(CC)(CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304208039 685247061 /nfs/dbraw/zinc/24/70/61/685247061.db2.gz CKZSIASFMOMVMI-UHFFFAOYSA-N 1 0 310.413 2.303 20 10 DECDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861620812 686160401 /nfs/dbraw/zinc/16/04/01/686160401.db2.gz NRKJBDCUSUBZAZ-PBHICJAKSA-N 1 0 318.465 2.453 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000861699767 686172011 /nfs/dbraw/zinc/17/20/11/686172011.db2.gz XUBWEZLDHXLSPB-WMLDXEAASA-N 1 0 318.465 2.425 20 10 DECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)CC[N@@H+]1C ZINC000862026530 686225592 /nfs/dbraw/zinc/22/55/92/686225592.db2.gz RJCUBGJJYWCGFH-JSGCOSHPSA-N 1 0 313.401 2.287 20 10 DECDRO Oc1cccc(Br)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000862245969 686264836 /nfs/dbraw/zinc/26/48/36/686264836.db2.gz DEYRMAVMIZDJGD-GXFFZTMASA-N 1 0 311.223 2.339 20 10 DECDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863541236 686518387 /nfs/dbraw/zinc/51/83/87/686518387.db2.gz HPOMYOHJHQIZCN-IAQYHMDHSA-N 1 0 304.390 2.114 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863562378 686522765 /nfs/dbraw/zinc/52/27/65/686522765.db2.gz JWOGXRFSYCQBJH-CALCHBBNSA-N 1 0 306.381 2.165 20 10 DECDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cccn2)c(C)n1-c1ccccc1 ZINC000863583185 686527725 /nfs/dbraw/zinc/52/77/25/686527725.db2.gz PFGCEIYLJZVMEX-IBGZPJMESA-N 1 0 324.428 2.441 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000863937657 686596535 /nfs/dbraw/zinc/59/65/35/686596535.db2.gz UYRQCHMIIKDAKJ-KRWDZBQOSA-N 1 0 320.433 2.110 20 10 DECDRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000864056876 686608196 /nfs/dbraw/zinc/60/81/96/686608196.db2.gz IMEBTGRTAHDMBW-ZDUSSCGKSA-N 1 0 303.406 2.196 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865693946 687303871 /nfs/dbraw/zinc/30/38/71/687303871.db2.gz OULPNDSSIGMLPT-WAARBJQMSA-N 1 0 314.429 2.036 20 10 DECDRO CCOC(=O)/C=C\C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210602 694113534 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COc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1Cn1cccn1 ZINC000873020209 689142618 /nfs/dbraw/zinc/14/26/18/689142618.db2.gz JXYCXZOXPSRWER-KRWDZBQOSA-N 1 0 314.433 2.124 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1Cn1cccn1 ZINC000873022129 689143191 /nfs/dbraw/zinc/14/31/91/689143191.db2.gz RDBPQNUIOBKUQB-INIZCTEOSA-N 1 0 315.417 2.456 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1Cn1cccn1 ZINC000873095402 689158137 /nfs/dbraw/zinc/15/81/37/689158137.db2.gz WMPCQGXKHLSZBO-QAQDUYKDSA-N 1 0 315.417 2.333 20 10 DECDRO COc1ccc(C[NH2+]CCc2cnccn2)cc1Cn1cccn1 ZINC000873100684 689159224 /nfs/dbraw/zinc/15/92/24/689159224.db2.gz BKDTWYGLHWBNCE-UHFFFAOYSA-N 1 0 323.400 2.062 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1Cn1cccn1 ZINC000873114505 689160264 /nfs/dbraw/zinc/16/02/64/689160264.db2.gz ISJLCSQXCFKPIN-YOEHRIQHSA-N 1 0 315.417 2.455 20 10 DECDRO COCCC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH2+]CC1 ZINC000873224441 689188123 /nfs/dbraw/zinc/18/81/23/689188123.db2.gz BOPILYFYMSUADQ-UHFFFAOYSA-N 1 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C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C[C@H](C)O ZINC000877058142 690009759 /nfs/dbraw/zinc/00/97/59/690009759.db2.gz DLFQSIZTSXNJOE-CABCVRRESA-N 1 0 306.450 2.144 20 10 DECDRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1O ZINC000877255685 690058098 /nfs/dbraw/zinc/05/80/98/690058098.db2.gz HAGDXMRNCYSKGZ-ZANVPECISA-N 1 0 302.296 2.111 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000877569964 690155358 /nfs/dbraw/zinc/15/53/58/690155358.db2.gz BPYQDXLVAAJTTI-PBHICJAKSA-N 1 0 301.390 2.444 20 10 DECDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877571817 690156210 /nfs/dbraw/zinc/15/62/10/690156210.db2.gz AGAKVWMEAYMIPT-UHFFFAOYSA-N 1 0 315.417 2.488 20 10 DECDRO CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000877595691 690162191 /nfs/dbraw/zinc/16/21/91/690162191.db2.gz AZXWWVCIXSZQJV-GOSISDBHSA-N 1 0 317.477 2.174 20 10 DECDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877632259 690173572 /nfs/dbraw/zinc/17/35/72/690173572.db2.gz TVHYYGBPZBMKFW-ROUUACIJSA-N 1 0 316.445 2.041 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000877637367 690175521 /nfs/dbraw/zinc/17/55/21/690175521.db2.gz SOJGCKSUAWFVSB-SFHVURJKSA-N 1 0 304.434 2.306 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1O ZINC000877676018 690187375 /nfs/dbraw/zinc/18/73/75/690187375.db2.gz XBCMWZYMKDEMGO-OAHLLOKOSA-N 1 0 306.406 2.282 20 10 DECDRO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000877680411 690188862 /nfs/dbraw/zinc/18/88/62/690188862.db2.gz YBNXIXCMQWVRPX-UHFFFAOYSA-N 1 0 314.360 2.117 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878241915 690355776 /nfs/dbraw/zinc/35/57/76/690355776.db2.gz KGNDOSFUQBIHSS-FUHWJXTLSA-N 1 0 301.386 2.309 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ncccc2C)c1 ZINC000878360419 690388024 /nfs/dbraw/zinc/38/80/24/690388024.db2.gz NMMAGOGKXQWMBL-GFCCVEGCSA-N 1 0 315.373 2.394 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CCF)CC2)cc1 ZINC000879208532 690590959 /nfs/dbraw/zinc/59/09/59/690590959.db2.gz YNBKGWGPJDJVAW-UHFFFAOYSA-N 1 0 321.440 2.440 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCO[C@H]3C)CC2)c(OC)c1 ZINC000879461810 690646414 /nfs/dbraw/zinc/64/64/14/690646414.db2.gz NALRYFBOOQMEFR-LSDHHAIUSA-N 1 0 320.433 2.251 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2c[nH]nc21 ZINC000931468174 694405527 /nfs/dbraw/zinc/40/55/27/694405527.db2.gz VUEPPVYYGRRHHW-CQSZACIVSA-N 1 0 312.417 2.366 20 10 DECDRO C[NH+](C)Cc1ccnc(NC(=O)NCc2ccccc2O)c1 ZINC000880596751 690937295 /nfs/dbraw/zinc/93/72/95/690937295.db2.gz ZISKRSRGZHBWFQ-UHFFFAOYSA-N 1 0 300.362 2.171 20 10 DECDRO CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059298 691006422 /nfs/dbraw/zinc/00/64/22/691006422.db2.gz FVAJFRJWOHPBJQ-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO Cc1cccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850681 691173989 /nfs/dbraw/zinc/17/39/89/691173989.db2.gz BWDKNHFRVZEURB-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO CC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883032079 691415512 /nfs/dbraw/zinc/41/55/12/691415512.db2.gz VUBRDAJXTCMGGO-AWEZNQCLSA-N 1 0 304.438 2.036 20 10 DECDRO CC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883032080 691415707 /nfs/dbraw/zinc/41/57/07/691415707.db2.gz VUBRDAJXTCMGGO-CQSZACIVSA-N 1 0 304.438 2.036 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000883256279 691466486 /nfs/dbraw/zinc/46/64/86/691466486.db2.gz SBPJXCSIUUZZNH-HNNXBMFYSA-N 1 0 321.417 2.466 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CC(C)(C)CO2)cc1 ZINC000884010878 691632747 /nfs/dbraw/zinc/63/27/47/691632747.db2.gz NSPPKUBGFAVIGM-CVEARBPZSA-N 1 0 319.449 2.074 20 10 DECDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000884205520 691682298 /nfs/dbraw/zinc/68/22/98/691682298.db2.gz YOPFYPXDCGNFRY-KRWDZBQOSA-N 1 0 319.449 2.045 20 10 DECDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398051 691729039 /nfs/dbraw/zinc/72/90/39/691729039.db2.gz UYPPBOSERVAGDE-PBHICJAKSA-N 1 0 319.449 2.024 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1OC ZINC000884481603 691748783 /nfs/dbraw/zinc/74/87/83/691748783.db2.gz NPOIIGKYFHPXEC-IUODEOHRSA-N 1 0 307.390 2.410 20 10 DECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886522320 692100846 /nfs/dbraw/zinc/10/08/46/692100846.db2.gz HDTQEMWXQQMCDQ-HUUCEWRRSA-N 1 0 323.456 2.456 20 10 DECDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H]1CCCOC1 ZINC000886788867 692191384 /nfs/dbraw/zinc/19/13/84/692191384.db2.gz KCNQWYSZAWBWJJ-XEZPLFJOSA-N 1 0 309.406 2.493 20 10 DECDRO CN(C)c1ccc(-c2nc(-c3cn(CC[NH3+])nn3)cs2)cc1 ZINC000887379759 692349528 /nfs/dbraw/zinc/34/95/28/692349528.db2.gz FWHGORPPZMFZBP-UHFFFAOYSA-N 1 0 314.418 2.093 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)CO ZINC000924759161 693182104 /nfs/dbraw/zinc/18/21/04/693182104.db2.gz FSHQVRRPBBCYTA-OAHLLOKOSA-N 1 0 320.477 2.392 20 10 DECDRO Cc1cc(C[NH2+][C@@H]2CCOC23CCOCC3)ccc1N(C)C ZINC000925434776 693272793 /nfs/dbraw/zinc/27/27/93/693272793.db2.gz MHICNTRNOBOCNR-QGZVFWFLSA-N 1 0 304.434 2.489 20 10 DECDRO COC(C)(C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000932367446 694602386 /nfs/dbraw/zinc/60/23/86/694602386.db2.gz MXVRWDJFMWRAFI-AWEZNQCLSA-N 1 0 321.465 2.114 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001333680714 1150078260 /nfs/dbraw/zinc/07/82/60/1150078260.db2.gz ASBNNYZUXNWCRT-OLZOCXBDSA-N 1 0 323.824 2.472 20 10 DECDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)c(O)c1OC ZINC001333737877 1150085252 /nfs/dbraw/zinc/08/52/52/1150085252.db2.gz RNKBNRRQMGOJDF-PBHICJAKSA-N 1 0 309.406 2.440 20 10 DECDRO C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccccc1O ZINC001334211952 1150233181 /nfs/dbraw/zinc/23/31/81/1150233181.db2.gz BWQNNZYBZCYLGA-ZDUSSCGKSA-N 1 0 313.401 2.454 20 10 DECDRO C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1CC[NH3+] ZINC001335913555 1150560355 /nfs/dbraw/zinc/56/03/55/1150560355.db2.gz ZQZZOSBHPIDPOZ-YOEHRIQHSA-N 1 0 318.465 2.412 20 10 DECDRO Cc1nccn1CCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC001352571008 1151753218 /nfs/dbraw/zinc/75/32/18/1151753218.db2.gz KMTCSEDJERJECK-UHFFFAOYSA-N 1 0 314.389 2.403 20 10 DECDRO COc1ccc(O)c(CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001353605868 1151841757 /nfs/dbraw/zinc/84/17/57/1151841757.db2.gz YAVUDJRGCXEKTK-UHFFFAOYSA-N 1 0 320.433 2.134 20 10 DECDRO CCO[C@@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001127402831 782973250 /nfs/dbraw/zinc/97/32/50/782973250.db2.gz IHRAHGBFMIOQMS-QGZVFWFLSA-N 1 0 320.433 2.025 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406144 777082483 /nfs/dbraw/zinc/08/24/83/777082483.db2.gz PXSHLORMOZNSBM-APMKWMSLSA-N 1 0 318.417 2.348 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000093051873 779245537 /nfs/dbraw/zinc/24/55/37/779245537.db2.gz WVDNCLNBXSHLFJ-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001204789629 779797618 /nfs/dbraw/zinc/79/76/18/779797618.db2.gz ABGIUXLVSUMPLK-MRXNPFEDSA-N 1 0 309.841 2.100 20 10 DECDRO CC[NH+]1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299477 790848321 /nfs/dbraw/zinc/84/83/21/790848321.db2.gz XWJPZPZCGIVXLN-UHFFFAOYSA-N 1 0 317.202 2.431 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC001144504286 790936360 /nfs/dbraw/zinc/93/63/60/790936360.db2.gz NXGYDTOEZGSXFO-OAHLLOKOSA-N 1 0 301.342 2.377 20 10 DECDRO CCC(=O)N(CC)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516123 790944099 /nfs/dbraw/zinc/94/40/99/790944099.db2.gz QCRSCMRGYDUABE-UHFFFAOYSA-N 1 0 322.405 2.026 20 10 DECDRO CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685591 784540521 /nfs/dbraw/zinc/54/05/21/784540521.db2.gz VYFMXLVWYDICKV-SMDDNHRTSA-N 1 0 317.393 2.309 20 10 DECDRO CCOCCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155649815 784601240 /nfs/dbraw/zinc/60/12/40/784601240.db2.gz KHSXJTGXUZSTGC-UHFFFAOYSA-N 1 0 308.422 2.026 20 10 DECDRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001169574941 785248415 /nfs/dbraw/zinc/24/84/15/785248415.db2.gz XMPYCNOBEZFUTP-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO COc1ccc(C[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1C ZINC001169865807 785403455 /nfs/dbraw/zinc/40/34/55/785403455.db2.gz OCSHGROFROWWKV-UHFFFAOYSA-N 1 0 311.447 2.449 20 10 DECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691440428 785539369 /nfs/dbraw/zinc/53/93/69/785539369.db2.gz QHMXVJWHWKMVJQ-PELKAZGASA-N 1 0 320.252 2.357 20 10 DECDRO COCC[C@H](COC)[NH2+]Cc1ccc(Br)cc1O ZINC000691490684 786083348 /nfs/dbraw/zinc/08/33/48/786083348.db2.gz ZXQFKVPSJPUTNR-GFCCVEGCSA-N 1 0 318.211 2.296 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]2OC)cc1C ZINC001130499868 787407237 /nfs/dbraw/zinc/40/72/37/787407237.db2.gz LDOXBCHEORYXLA-WBVHZDCISA-N 1 0 320.433 2.025 20 10 DECDRO COCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001131430410 787619129 /nfs/dbraw/zinc/61/91/29/787619129.db2.gz YYPGREREJXTJFC-UHFFFAOYSA-N 1 0 320.433 2.026 20 10 DECDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C)cc(OC)n1 ZINC001134872246 789122479 /nfs/dbraw/zinc/12/24/79/789122479.db2.gz JMLOXZPBFPOTJP-OLZOCXBDSA-N 1 0 323.437 2.241 20 10 DECDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136259242 789674442 /nfs/dbraw/zinc/67/44/42/789674442.db2.gz RCLCXIRMQDBKDL-ZIAGYGMSSA-N 1 0 320.433 2.125 20 10 DECDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001173625890 793783867 /nfs/dbraw/zinc/78/38/67/793783867.db2.gz FLOWUXPLHYVLLQ-YPMHNXCESA-N 1 0 323.389 2.057 20 10 DECDRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)c(O)c1 ZINC001173747438 793835005 /nfs/dbraw/zinc/83/50/05/793835005.db2.gz BRJDRKISQRLREK-ZIAGYGMSSA-N 1 0 301.394 2.269 20 10 DECDRO Fc1cc(C[NH2+][C@H]2CCCOCC2)ccc1N1CCOCC1 ZINC001178326144 794900996 /nfs/dbraw/zinc/90/09/96/794900996.db2.gz BRZDMWLSYPKGLE-HNNXBMFYSA-N 1 0 308.397 2.321 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC(=O)NC2CCCCC2)c1O ZINC001119442974 795302371 /nfs/dbraw/zinc/30/23/71/795302371.db2.gz FJZDRUMCTLZUFV-UHFFFAOYSA-N 1 0 306.406 2.248 20 10 DECDRO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001181235755 795447496 /nfs/dbraw/zinc/44/74/96/795447496.db2.gz GSNOGNZTXNVGPL-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO Nc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC001120370603 795448149 /nfs/dbraw/zinc/44/81/49/795448149.db2.gz BUPSKUMWJKVGDG-UHFFFAOYSA-N 1 0 301.350 2.211 20 10 DECDRO Nc1ccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1 ZINC001120371969 795448674 /nfs/dbraw/zinc/44/86/74/795448674.db2.gz WSNDIQOSEBPUCF-KRWDZBQOSA-N 1 0 309.413 2.407 20 10 DECDRO Oc1ccccc1C[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001203560469 795816682 /nfs/dbraw/zinc/81/66/82/795816682.db2.gz ARLMPVDUVHIEFQ-UHFFFAOYSA-N 1 0 303.337 2.365 20 10 DECDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccccc1O ZINC001203561783 795828494 /nfs/dbraw/zinc/82/84/94/795828494.db2.gz ZDJFYXSRKSEMTG-UHFFFAOYSA-N 1 0 323.389 2.101 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@H]2CCCO2)cc1C ZINC001123924970 796001490 /nfs/dbraw/zinc/00/14/90/796001490.db2.gz QUSDOYTWWZLTBX-MRXNPFEDSA-N 1 0 320.433 2.169 20 10 DECDRO Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854255 796146726 /nfs/dbraw/zinc/14/67/26/796146726.db2.gz OINZOJACOCNFMM-GOSISDBHSA-N 1 0 300.402 2.287 20 10 DECDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1O ZINC001138338377 796199209 /nfs/dbraw/zinc/19/92/09/796199209.db2.gz QCBFRZZPJWGVAJ-GUYCJALGSA-N 1 0 316.445 2.294 20 10 DECDRO Oc1c(C[N@H+]2CCC[C@H](O)C2)cc2c3c1CCCN3CCC2 ZINC001138336298 796199237 /nfs/dbraw/zinc/19/92/37/796199237.db2.gz OEZVSJVJGXGETL-HNNXBMFYSA-N 1 0 302.418 2.048 20 10 DECDRO CO[C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338691 796199792 /nfs/dbraw/zinc/19/97/92/796199792.db2.gz SVKVHZBVPOUFQA-HNNXBMFYSA-N 1 0 302.418 2.312 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@@]23CCOC3)cc2c3c1CCCN3CCC2 ZINC001138341415 796200379 /nfs/dbraw/zinc/20/03/79/796200379.db2.gz GOWWGSKOOYFJDK-IBGZPJMESA-N 1 0 314.429 2.456 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC001138354339 796203984 /nfs/dbraw/zinc/20/39/84/796203984.db2.gz FZDUJNGFOKUIGL-UHFFFAOYSA-N 1 0 323.444 2.181 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC001138387356 796209717 /nfs/dbraw/zinc/20/97/17/796209717.db2.gz CNSIBANPXJLHIK-HNNXBMFYSA-N 1 0 319.449 2.239 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccc1O ZINC001138394018 796213827 /nfs/dbraw/zinc/21/38/27/796213827.db2.gz CKBRQZCRFIWKTP-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CO ZINC001138496459 796227732 /nfs/dbraw/zinc/22/77/32/796227732.db2.gz PYSMESXXGSRMCV-QAPCUYQASA-N 1 0 304.434 2.116 20 10 DECDRO O=C1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 ZINC001138501372 796228275 /nfs/dbraw/zinc/22/82/75/796228275.db2.gz RQANNIGWJSWWQC-FUHWJXTLSA-N 1 0 314.429 2.324 20 10 DECDRO COc1cc(CN2CCCC(=O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253351 796348820 /nfs/dbraw/zinc/34/88/20/796348820.db2.gz RWOPHTOXMIIMAD-CYBMUJFWSA-N 1 0 320.433 2.263 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1=O ZINC001139404731 796371185 /nfs/dbraw/zinc/37/11/85/796371185.db2.gz YECCGKWVPBRYJY-INIZCTEOSA-N 1 0 315.461 2.239 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)ccc1N(C)C ZINC001139670366 796408366 /nfs/dbraw/zinc/40/83/66/796408366.db2.gz LJYSZFSTOOSELI-GOSISDBHSA-N 1 0 301.434 2.163 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001140055131 796471004 /nfs/dbraw/zinc/47/10/04/796471004.db2.gz KMGGNUUWXHPYFN-UHFFFAOYSA-N 1 0 303.337 2.365 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001140098874 796477600 /nfs/dbraw/zinc/47/76/00/796477600.db2.gz PZWDLZSJHZHEGK-CMPLNLGQSA-N 1 0 304.159 2.059 20 10 DECDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282562 796501621 /nfs/dbraw/zinc/50/16/21/796501621.db2.gz DVITYCPEARIUBR-IBGZPJMESA-N 1 0 318.461 2.385 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC001140282036 796501760 /nfs/dbraw/zinc/50/17/60/796501760.db2.gz XSPRHLVSVHQCPN-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC001140299747 796503786 /nfs/dbraw/zinc/50/37/86/796503786.db2.gz DZTFAOLKKBESFF-KDURUIRLSA-N 1 0 315.461 2.192 20 10 DECDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H](C)O1 ZINC001140662331 796551948 /nfs/dbraw/zinc/55/19/48/796551948.db2.gz ONZJFWGAFIEJRE-KBPBESRZSA-N 1 0 308.397 2.272 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCCO1 ZINC001140660200 796552581 /nfs/dbraw/zinc/55/25/81/796552581.db2.gz JICTXDBXGYMBLX-CQSZACIVSA-N 1 0 308.397 2.273 20 10 DECDRO CCOC(=O)NC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140750163 796567450 /nfs/dbraw/zinc/56/74/50/796567450.db2.gz WVKDMIVMXPKOBD-UHFFFAOYSA-N 1 0 308.378 2.117 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001140949518 796605010 /nfs/dbraw/zinc/60/50/10/796605010.db2.gz CTIUHYRCBUXRDL-LZLYRXPVSA-N 1 0 303.402 2.326 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c(OC)c1 ZINC001141031802 796621152 /nfs/dbraw/zinc/62/11/52/796621152.db2.gz MCMFXHCPBVPICL-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075821 796631628 /nfs/dbraw/zinc/63/16/28/796631628.db2.gz BJRJYKVDLSLBMG-KRWDZBQOSA-N 1 0 313.445 2.225 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)ccc21 ZINC001141146317 796640030 /nfs/dbraw/zinc/64/00/30/796640030.db2.gz SATZIVNSKCDZNX-HUUCEWRRSA-N 1 0 300.402 2.316 20 10 DECDRO CN(CC[N@H+](C)Cc1cc(O)ccc1O)C(=O)OC(C)(C)C ZINC001141155870 796640943 /nfs/dbraw/zinc/64/09/43/796640943.db2.gz NCVPMQGJXAWHLR-UHFFFAOYSA-N 1 0 310.394 2.397 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001141158847 796641883 /nfs/dbraw/zinc/64/18/83/796641883.db2.gz PAIKSHSJUHJGIV-FUHWJXTLSA-N 1 0 319.401 2.258 20 10 DECDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158465 796642482 /nfs/dbraw/zinc/64/24/82/796642482.db2.gz ALUJRURRDQVYLU-SFHVURJKSA-N 1 0 318.417 2.465 20 10 DECDRO CCC[NH+]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(Cl)c3)C[C@@H]2C1 ZINC001193611333 797592446 /nfs/dbraw/zinc/59/24/46/797592446.db2.gz CQDSJHBCIDDNDD-RYUDHWBXSA-N 1 0 324.808 2.165 20 10 DECDRO CC[NH+](CC)CCCNC(=S)N(C)Cc1ccccc1O ZINC001196679281 798086214 /nfs/dbraw/zinc/08/62/14/798086214.db2.gz UVTSMNKGMFWHQV-UHFFFAOYSA-N 1 0 309.479 2.430 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CC(=O)NCc1ccco1 ZINC001199376787 798477327 /nfs/dbraw/zinc/47/73/27/798477327.db2.gz PFEMYCPESCWRLM-UHFFFAOYSA-N 1 0 311.385 2.486 20 10 DECDRO CN(Cc1ccccc1O)C(=S)NCC[NH+]1CCCCC1 ZINC001200431561 798636463 /nfs/dbraw/zinc/63/64/63/798636463.db2.gz YRPSLCCEPVMGCS-UHFFFAOYSA-N 1 0 307.463 2.184 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC001200704924 798670423 /nfs/dbraw/zinc/67/04/23/798670423.db2.gz XOZAFMYSQVHJDJ-CYBMUJFWSA-N 1 0 318.396 2.247 20 10 DECDRO COc1cc2c(cc1Nc1ccc(N)cc1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001160361314 798679199 /nfs/dbraw/zinc/67/91/99/798679199.db2.gz FVYXEAHDZIMQJO-GOSISDBHSA-N 1 0 324.384 2.204 20 10 DECDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924706 798763419 /nfs/dbraw/zinc/76/34/19/798763419.db2.gz PGLRAHASYREETM-FZMZJTMJSA-N 1 0 306.406 2.136 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001161134521 798800957 /nfs/dbraw/zinc/80/09/57/798800957.db2.gz AZUZOKCBIBVPIO-JKSUJKDBSA-N 1 0 307.413 2.049 20 10 DECDRO CCOCc1cc(C[NH2+]CCn2cnnc2CC)ccc1OC ZINC001202049849 798821621 /nfs/dbraw/zinc/82/16/21/798821621.db2.gz GQQRAZRGWXRGMP-UHFFFAOYSA-N 1 0 318.421 2.175 20 10 DECDRO CCN(C(=O)/C=C/c1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001161333739 798830095 /nfs/dbraw/zinc/83/00/95/798830095.db2.gz WVNOPQCWHRFTHN-KQPPXVQYSA-N 1 0 301.434 2.366 20 10 DECDRO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccccc4O)C[C@H]3O2)n1 ZINC001203551911 800079455 /nfs/dbraw/zinc/07/94/55/800079455.db2.gz SJKGWBVHPTVRKP-VBNZEHGJSA-N 1 0 315.373 2.436 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c1O ZINC001203617149 800091569 /nfs/dbraw/zinc/09/15/69/800091569.db2.gz JZOTZADHTAHTSQ-AWEZNQCLSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c1 ZINC001203678986 800104773 /nfs/dbraw/zinc/10/47/73/800104773.db2.gz WLPOVZDDBPYPGN-UHFFFAOYSA-N 1 0 312.360 2.316 20 10 DECDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876398 800138104 /nfs/dbraw/zinc/13/81/04/800138104.db2.gz CUWOEDPFUJGRMD-WMLDXEAASA-N 1 0 307.390 2.258 20 10 DECDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203884075 800139710 /nfs/dbraw/zinc/13/97/10/800139710.db2.gz RFPHDQMEEPKUIK-CYBMUJFWSA-N 1 0 316.357 2.155 20 10 DECDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)ncn1 ZINC001203882251 800139922 /nfs/dbraw/zinc/13/99/22/800139922.db2.gz ALLXIPLHQGJKRX-AWEZNQCLSA-N 1 0 315.373 2.240 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)cc1 ZINC001203931356 800147759 /nfs/dbraw/zinc/14/77/59/800147759.db2.gz FXJLEHMLXHFWQJ-SFHVURJKSA-N 1 0 301.434 2.339 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCN(C3COC3)CC2)cc1 ZINC001203935431 800148501 /nfs/dbraw/zinc/14/85/01/800148501.db2.gz HIYZTUOCLMVPNE-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO CN(C)c1cc(F)c(CN[C@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC001204087801 800171629 /nfs/dbraw/zinc/17/16/29/800171629.db2.gz CHUNSIGZHXGXON-RBOXIYTFSA-N 1 0 309.404 2.461 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001204275017 800197566 /nfs/dbraw/zinc/19/75/66/800197566.db2.gz LNECEYQNGHBWJA-WMZOPIPTSA-N 1 0 319.401 2.258 20 10 DECDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)nc1 ZINC001204278115 800199363 /nfs/dbraw/zinc/19/93/63/800199363.db2.gz UGBIAWLGOCSECP-HNNXBMFYSA-N 1 0 316.357 2.155 20 10 DECDRO C[N@H+](CCN1CCOCC1)Cc1ccc(N2CCCC2)cc1 ZINC001204319716 800204690 /nfs/dbraw/zinc/20/46/90/800204690.db2.gz FXSIYSJAZCJDDY-UHFFFAOYSA-N 1 0 303.450 2.051 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)cc(O)c1O ZINC001204349959 800206833 /nfs/dbraw/zinc/20/68/33/800206833.db2.gz ZHSOYBFCDBVNRE-GFCCVEGCSA-N 1 0 319.361 2.177 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000934339924 800330019 /nfs/dbraw/zinc/33/00/19/800330019.db2.gz MCNIUTRQGAOGCZ-RDJZCZTQSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816275 800426194 /nfs/dbraw/zinc/42/61/94/800426194.db2.gz KYEJIMAZAMMOGY-QAPCUYQASA-N 1 0 303.450 2.082 20 10 DECDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001205829521 800428548 /nfs/dbraw/zinc/42/85/48/800428548.db2.gz PAGRBNNJGHOUMW-RHSMWYFYSA-N 1 0 321.440 2.222 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H](O)C[NH3+])n2)cc1 ZINC001206019033 800459259 /nfs/dbraw/zinc/45/92/59/800459259.db2.gz AGHHESASQSQJCB-OAHLLOKOSA-N 1 0 312.373 2.006 20 10 DECDRO [NH3+][C@H]1CN(Cc2cc(Br)ccc2O)CC(F)(F)C1 ZINC001206116686 800474472 /nfs/dbraw/zinc/47/44/72/800474472.db2.gz DQPSEPVQBLCUSB-SNVBAGLBSA-N 1 0 321.165 2.323 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206243783 800496471 /nfs/dbraw/zinc/49/64/71/800496471.db2.gz GDFMMTDSTCCPKQ-ZDUSSCGKSA-N 1 0 304.312 2.256 20 10 DECDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206444945 800534077 /nfs/dbraw/zinc/53/40/77/800534077.db2.gz MLAQOMQCTIEGOE-MNOVXSKESA-N 1 0 322.302 2.204 20 10 DECDRO CCOc1ccc(N2CC[NH+](C[C@H](C)C(=O)OC)CC2)cc1 ZINC001208726658 801055559 /nfs/dbraw/zinc/05/55/59/801055559.db2.gz QNQIUQCKWMLOBQ-AWEZNQCLSA-N 1 0 306.406 2.016 20 10 DECDRO C[NH+]1CCC2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3O)C2)CC1 ZINC001231454914 801668255 /nfs/dbraw/zinc/66/82/55/801668255.db2.gz KGPDKMYBROANRI-UHFFFAOYSA-N 1 0 304.390 2.008 20 10 DECDRO OCCCN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231587000 801690865 /nfs/dbraw/zinc/69/08/65/801690865.db2.gz OZXZCEMHZZTPLM-UHFFFAOYSA-N 1 0 300.402 2.045 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c1 ZINC001231846058 801735958 /nfs/dbraw/zinc/73/59/58/801735958.db2.gz ZTQZRUVNMJETOF-UHFFFAOYSA-N 1 0 302.418 2.500 20 10 DECDRO C[N@@H+]1CCN(Cc2cc(O)c(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001233010019 802001666 /nfs/dbraw/zinc/00/16/66/802001666.db2.gz HPTWNKVDCPVIFT-HNNXBMFYSA-N 1 0 314.385 2.292 20 10 DECDRO COC(=O)CC[N@H+](Cc1cc(O)c(O)c(O)c1)C1CCCC1 ZINC001233012579 802002257 /nfs/dbraw/zinc/00/22/57/802002257.db2.gz KXBFSAQZPCETRM-UHFFFAOYSA-N 1 0 309.362 2.111 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001233287996 802064092 /nfs/dbraw/zinc/06/40/92/802064092.db2.gz QUYZTIBSXFDZGL-NWDGAFQWSA-N 1 0 303.761 2.349 20 10 DECDRO CCOC(=O)CC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC001233290028 802064602 /nfs/dbraw/zinc/06/46/02/802064602.db2.gz DMONYOOXYCNDNO-UHFFFAOYSA-N 1 0 301.770 2.439 20 10 DECDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC001233454456 802121158 /nfs/dbraw/zinc/12/11/58/802121158.db2.gz VPWQIIPEVPVTLP-UHFFFAOYSA-N 1 0 303.280 2.360 20 10 DECDRO CS(=O)(=O)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453973 802121231 /nfs/dbraw/zinc/12/12/31/802121231.db2.gz AZBKHEMNVFGCHM-NSHDSACASA-N 1 0 323.336 2.030 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001217964503 802125363 /nfs/dbraw/zinc/12/53/63/802125363.db2.gz ASNKXRTVDKUYLZ-BMIGLBTASA-N 1 0 323.348 2.154 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc(O)c(O)cc2O)cc1OC ZINC001233485253 802126800 /nfs/dbraw/zinc/12/68/00/802126800.db2.gz OHLSNLRHKTXWEA-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1O ZINC001233484957 802127628 /nfs/dbraw/zinc/12/76/28/802127628.db2.gz DBXKHDOIKQBYNV-CQSZACIVSA-N 1 0 301.342 2.457 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1O ZINC001233487527 802128653 /nfs/dbraw/zinc/12/86/53/802128653.db2.gz HNFOYFIJTGSUQO-CQSZACIVSA-N 1 0 316.357 2.242 20 10 DECDRO C[C@@H](Oc1cccc2c1C(=O)c1cccc(O)c1C2=O)C1C[NH2+]C1 ZINC001218197121 802154060 /nfs/dbraw/zinc/15/40/60/802154060.db2.gz YRGMIVKTWAOACO-SNVBAGLBSA-N 1 0 323.348 2.154 20 10 DECDRO CCOC(=O)[C@@H](CC(C)C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218287859 802164652 /nfs/dbraw/zinc/16/46/52/802164652.db2.gz YIMQIXDCMLCQCT-QGZVFWFLSA-N 1 0 320.433 2.453 20 10 DECDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233728309 802191387 /nfs/dbraw/zinc/19/13/87/802191387.db2.gz VMCONPUVUSZXCU-ZJUUUORDSA-N 1 0 309.259 2.196 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)c2c1 ZINC001234526354 802403777 /nfs/dbraw/zinc/40/37/77/802403777.db2.gz UEWUTLWBNYFNQH-DOTOQJQBSA-N 1 0 305.349 2.459 20 10 DECDRO COc1cc(CN2CCC[C@@]23CCC[NH2+]C3)c(O)c(OC)c1 ZINC001222259555 802663774 /nfs/dbraw/zinc/66/37/74/802663774.db2.gz SSLKLJBLWLBPBU-QGZVFWFLSA-N 1 0 306.406 2.127 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222537820 802703446 /nfs/dbraw/zinc/70/34/46/802703446.db2.gz GONZRGYSXIZBQB-UHFFFAOYSA-N 1 0 320.364 2.070 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001335447103 1150419640 /nfs/dbraw/zinc/41/96/40/1150419640.db2.gz DBDGLIODQGWWLT-QAPCUYQASA-N 1 0 316.449 2.084 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C2(CCO)CCOCC2)cc1F ZINC001331498256 1149488284 /nfs/dbraw/zinc/48/82/84/1149488284.db2.gz LOSUXASHHGDJFV-UHFFFAOYSA-N 1 0 314.376 2.052 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCCC[NH2+]1 ZINC001328523792 1148805983 /nfs/dbraw/zinc/80/59/83/1148805983.db2.gz FDBOBNBMSHACRM-INIZCTEOSA-N 1 0 302.418 2.419 20 10 DECDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001455644951 1057746279 /nfs/dbraw/zinc/74/62/79/1057746279.db2.gz ZLQSQWWJHRRPHK-LBPRGKRZSA-N 1 0 317.393 2.263 20 10 DECDRO c1cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc2c1OCC2 ZINC001461285232 1058629329 /nfs/dbraw/zinc/62/93/29/1058629329.db2.gz YHXAJUXXIZMRDF-QZTJIDSGSA-N 1 0 316.445 2.355 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC001462527393 1058844323 /nfs/dbraw/zinc/84/43/23/1058844323.db2.gz KZFZUEBAFWIFKY-AWEZNQCLSA-N 1 0 321.417 2.073 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900111 1059381068 /nfs/dbraw/zinc/38/10/68/1059381068.db2.gz NQQGATRHLYQTCH-HZMBPMFUSA-N 1 0 315.377 2.062 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2c[nH+]cn2c1 ZINC001468835329 1059860579 /nfs/dbraw/zinc/86/05/79/1059860579.db2.gz NCOQBHFHIFCUIL-UTCJRWHESA-N 1 0 309.325 2.075 20 10 DECDRO CCC[N@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC001474414793 1060865228 /nfs/dbraw/zinc/86/52/28/1060865228.db2.gz GJIGBYBDNUYLDM-CYBMUJFWSA-N 1 0 317.838 2.445 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3C[C@@H]4COC[C@H]34)C2)cc1 ZINC001474592944 1060899650 /nfs/dbraw/zinc/89/96/50/1060899650.db2.gz YBNWLUWUGCCREY-IHETXDGRSA-N 1 0 302.418 2.146 20 10 DECDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCCF ZINC001505764509 1060942358 /nfs/dbraw/zinc/94/23/58/1060942358.db2.gz GQZIKPFKUSRGMS-WDEREUQCSA-N 1 0 323.372 2.305 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2nccs2)cc1C ZINC001480559895 1063032958 /nfs/dbraw/zinc/03/29/58/1063032958.db2.gz QFORYFPTWWTKJI-GFCCVEGCSA-N 1 0 319.430 2.368 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)cc1OC ZINC001611975381 1078107351 /nfs/dbraw/zinc/10/73/51/1078107351.db2.gz HDPDEAFHYHUYIF-UHFFFAOYSA-N 1 0 321.377 2.287 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627776201 1078283136 /nfs/dbraw/zinc/28/31/36/1078283136.db2.gz NVAWNYWNLCTCNM-CYBMUJFWSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(N(C)C)cc1 ZINC001576186933 1066515261 /nfs/dbraw/zinc/51/52/61/1066515261.db2.gz VVXWWPVBKFKHOX-JCURWCKSSA-N 1 0 301.434 2.460 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(F)c(O)c2)cc1 ZINC001578424764 1067095822 /nfs/dbraw/zinc/09/58/22/1067095822.db2.gz UYFCYKRWHIQIOU-HNNXBMFYSA-N 1 0 317.364 2.027 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCOC(C)(C)C)cc1 ZINC001578424264 1067096326 /nfs/dbraw/zinc/09/63/26/1067096326.db2.gz CAFHPTWKEZFYFW-INIZCTEOSA-N 1 0 321.465 2.464 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001578598759 1067138267 /nfs/dbraw/zinc/13/82/67/1067138267.db2.gz VFGVZOVXIMGSPL-SNVBAGLBSA-N 1 0 306.387 2.137 20 10 DECDRO Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(C[NH3+])n1C ZINC001579518890 1067359232 /nfs/dbraw/zinc/35/92/32/1067359232.db2.gz DQKHQOQHDWYGMN-UHFFFAOYSA-N 1 0 314.433 2.130 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001570601632 1068031319 /nfs/dbraw/zinc/03/13/19/1068031319.db2.gz NZBQKCGYPUWQJU-KGLIPLIRSA-N 1 0 322.449 2.147 20 10 DECDRO CCOCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571082346 1068180147 /nfs/dbraw/zinc/18/01/47/1068180147.db2.gz GNKINTVAPIIKDY-WKILWMFISA-N 1 0 320.433 2.025 20 10 DECDRO COc1cc(C)c(C[NH2+]Cc2ccc(OC)nc2OC)c(O)c1 ZINC001560871203 1075147439 /nfs/dbraw/zinc/14/74/39/1075147439.db2.gz AFJILNMWNIRHHD-UHFFFAOYSA-N 1 0 318.373 2.411 20 10 DECDRO COC1CC(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001561040126 1075150135 /nfs/dbraw/zinc/15/01/35/1075150135.db2.gz KLQRMSCZAXOZCX-IUPXNIOVSA-N 1 0 305.466 2.370 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCC3CSC3)cc2)CC1 ZINC001561052491 1075150506 /nfs/dbraw/zinc/15/05/06/1075150506.db2.gz CHHHPEIHOGXFRH-UHFFFAOYSA-N 1 0 306.475 2.490 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C)no2)cc1C ZINC001481205915 1079369827 /nfs/dbraw/zinc/36/98/27/1079369827.db2.gz JYUPJKRJGSJQIE-UHFFFAOYSA-N 1 0 317.389 2.162 20 10 DECDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001583350017 1076256381 /nfs/dbraw/zinc/25/63/81/1076256381.db2.gz XRNXSVKPCFQMAV-ZDUSSCGKSA-N 1 0 305.382 2.165 20 10 DECDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001585125642 1076339865 /nfs/dbraw/zinc/33/98/65/1076339865.db2.gz OYPBAJKMHOKKFH-ZFWWWQNUSA-N 1 0 320.433 2.362 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)CC[S@](C)=O)ccc1OC ZINC001620854643 1076481663 /nfs/dbraw/zinc/48/16/63/1076481663.db2.gz PMXMDXUSSNKTNM-ZSEKCTLFSA-N 1 0 313.463 2.478 20 10 DECDRO C[C@H]([NH2+]Cc1ccncc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589970264 1076539384 /nfs/dbraw/zinc/53/93/84/1076539384.db2.gz KAIATYARKISOLW-LBPRGKRZSA-N 1 0 323.404 2.179 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000067252507 1079882147 /nfs/dbraw/zinc/88/21/47/1079882147.db2.gz UTJWSWWWLZWQIE-KRWDZBQOSA-N 1 0 318.392 2.421 20 10 DECDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655717244 1080013804 /nfs/dbraw/zinc/01/38/04/1080013804.db2.gz BLYIKGBRCOQJAI-KRWDZBQOSA-N 1 0 323.456 2.074 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2cc(C(C)C)ccc2O)CCOC1 ZINC001657682625 1080181907 /nfs/dbraw/zinc/18/19/07/1080181907.db2.gz RDWAJELCJOBKEW-QGZVFWFLSA-N 1 0 307.390 2.327 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC001657886056 1080188428 /nfs/dbraw/zinc/18/84/28/1080188428.db2.gz KBABYENOSFQDSN-DYVFJYSZSA-N 1 0 307.390 2.089 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ocnc2C)cc1C ZINC001662189225 1080579150 /nfs/dbraw/zinc/57/91/50/1080579150.db2.gz BBLNRFCURUFLBO-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)cc1 ZINC001276957999 1083699846 /nfs/dbraw/zinc/69/98/46/1083699846.db2.gz BMDCDHQTJCUPGR-AEFFLSMTSA-N 1 0 301.434 2.230 20 10 DECDRO CC[NH+]1CCN(c2ccc(OC3CC4(COC4)C3)cc2)CC1 ZINC001234658280 1084190117 /nfs/dbraw/zinc/19/01/17/1084190117.db2.gz ZIKHKWWMDSKADP-UHFFFAOYSA-N 1 0 302.418 2.386 20 10 DECDRO OC[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001234998127 1084263277 /nfs/dbraw/zinc/26/32/77/1084263277.db2.gz FUZRGZNYRMSTLT-FUHWJXTLSA-N 1 0 313.397 2.234 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235120966 1084316840 /nfs/dbraw/zinc/31/68/40/1084316840.db2.gz XGHIPGDILYKJPM-SFHVURJKSA-N 1 0 303.450 2.479 20 10 DECDRO O=C([O-])c1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(O)c1 ZINC001235243106 1084356165 /nfs/dbraw/zinc/35/61/65/1084356165.db2.gz VYJYRNZFDMJFSH-MRXNPFEDSA-N 1 0 318.417 2.445 20 10 DECDRO COCCCN(Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235806757 1084533181 /nfs/dbraw/zinc/53/31/81/1084533181.db2.gz LFMWDURUBQXIEA-SFHVURJKSA-N 1 0 305.466 2.343 20 10 DECDRO C[C@@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H](C)[NH2+]1 ZINC001235897135 1084559224 /nfs/dbraw/zinc/55/92/24/1084559224.db2.gz ISQGCVCZRMMIEQ-OKILXGFUSA-N 1 0 315.461 2.273 20 10 DECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001235995130 1084585349 /nfs/dbraw/zinc/58/53/49/1084585349.db2.gz VGHIOWAPFZPHMH-ZWNOBZJWSA-N 1 0 302.296 2.214 20 10 DECDRO CN(Cc1c(O)cccc1OC(F)(F)F)C[C@@H]1CCC[NH2+]1 ZINC001236122561 1084617920 /nfs/dbraw/zinc/61/79/20/1084617920.db2.gz WGKIUYCYFCJVLE-JTQLQIEISA-N 1 0 304.312 2.475 20 10 DECDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1=O ZINC001272987563 1085801309 /nfs/dbraw/zinc/80/13/09/1085801309.db2.gz DGRRYPBIGKYKJU-LJQANCHMSA-N 1 0 313.445 2.484 20 10 DECDRO CC[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001128551662 1086226357 /nfs/dbraw/zinc/22/63/57/1086226357.db2.gz DMLVBXNNLFHUTA-NVXWUHKLSA-N 1 0 320.433 2.167 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(F)ccc1O ZINC000694605533 1086609820 /nfs/dbraw/zinc/60/98/20/1086609820.db2.gz YMJVQGHHDSAHKD-JQWIXIFHSA-N 1 0 301.383 2.149 20 10 DECDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1 ZINC001275267839 1091644878 /nfs/dbraw/zinc/64/48/78/1091644878.db2.gz YOYTVCBWWAPQFU-MRXNPFEDSA-N 1 0 310.825 2.342 20 10 DECDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001251784888 1092039317 /nfs/dbraw/zinc/03/93/17/1092039317.db2.gz YYYODDMYAFUOSN-CYBMUJFWSA-N 1 0 318.339 2.478 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC3(CN(C(=O)NC(C)C)C3)C2)c1O ZINC001275968578 1092397123 /nfs/dbraw/zinc/39/71/23/1092397123.db2.gz DCLZBJXLUNHMLW-UHFFFAOYSA-N 1 0 317.433 2.245 20 10 DECDRO C[C@@H]1CN(Cc2cc(O)c(Br)cc2O)C[C@@H](C)[NH2+]1 ZINC001236577796 1138377722 /nfs/dbraw/zinc/37/77/22/1138377722.db2.gz AKFVRDWNEHBEFU-RKDXNWHRSA-N 1 0 315.211 2.043 20 10 DECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236752399 1138410376 /nfs/dbraw/zinc/41/03/76/1138410376.db2.gz RDNCIAWHOHYIBT-NEPJUHHUSA-N 1 0 323.389 2.183 20 10 DECDRO COc1cc(O)c(CN2CC([NH+]3CCCCC3)C2)cc1OC ZINC001236752427 1138410503 /nfs/dbraw/zinc/41/05/03/1138410503.db2.gz TUIUJBWZBZDURI-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO Oc1cc(C[N@H+]2CCCC[C@H](O)C2)c(O)cc1Br ZINC001236764253 1138416515 /nfs/dbraw/zinc/41/65/15/1138416515.db2.gz DQTOIAJRMCCVCO-JTQLQIEISA-N 1 0 316.195 2.207 20 10 DECDRO CCc1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001236788148 1138428369 /nfs/dbraw/zinc/42/83/69/1138428369.db2.gz SEAAZZNTYUHJGM-IAGOWNOFSA-N 1 0 324.428 2.313 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(Cl)c1 ZINC001236800242 1138431596 /nfs/dbraw/zinc/43/15/96/1138431596.db2.gz XIJQOVGLUAKXLC-CHWSQXEVSA-N 1 0 303.761 2.349 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)N3)CC2)c(Cl)c1 ZINC001236805418 1138433178 /nfs/dbraw/zinc/43/31/78/1138433178.db2.gz GCUWSVVQZRSVJY-UHFFFAOYSA-N 1 0 324.808 2.299 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CCC(=O)N3C)CC2)c(O)c1 ZINC001236816726 1138438354 /nfs/dbraw/zinc/43/83/54/1138438354.db2.gz VRZGOLHPYPMFAY-UHFFFAOYSA-N 1 0 318.417 2.296 20 10 DECDRO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001236822136 1138439312 /nfs/dbraw/zinc/43/93/12/1138439312.db2.gz YBIIULQZNHTIMD-CQSZACIVSA-N 1 0 306.406 2.152 20 10 DECDRO CN(CC[NH+](C)C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237051343 1138488985 /nfs/dbraw/zinc/48/89/85/1138488985.db2.gz KUTMPFHUTURRJS-UHFFFAOYSA-N 1 0 306.328 2.327 20 10 DECDRO C[NH+](C)[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237050924 1138489356 /nfs/dbraw/zinc/48/93/56/1138489356.db2.gz FWIPPCSBCPWMRI-LBPRGKRZSA-N 1 0 318.339 2.469 20 10 DECDRO CC1(CO)C[NH+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237053180 1138491127 /nfs/dbraw/zinc/49/11/27/1138491127.db2.gz HBWVLEYTVXYLAP-UHFFFAOYSA-N 1 0 305.296 2.148 20 10 DECDRO Cc1cccc(O)c1CN1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001237486532 1138654773 /nfs/dbraw/zinc/65/47/73/1138654773.db2.gz SEKCFSZGZJGLBD-HNNXBMFYSA-N 1 0 314.433 2.091 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H]3C[C@H]2C[N@H+]3C)cc1Br ZINC001237682882 1138756681 /nfs/dbraw/zinc/75/66/81/1138756681.db2.gz UIQASMYWEXUVKA-RYUDHWBXSA-N 1 0 311.223 2.351 20 10 DECDRO COc1cc(CN2CCC([NH+]3CCC3)CC2)c(O)c(OC)c1 ZINC001237684262 1138757031 /nfs/dbraw/zinc/75/70/31/1138757031.db2.gz PNTYLJNSXQDEEN-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)CCS1 ZINC001238066811 1138819742 /nfs/dbraw/zinc/81/97/42/1138819742.db2.gz LWDWQCNNZDABMN-ZDUSSCGKSA-N 1 0 313.394 2.320 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC001238069253 1138820041 /nfs/dbraw/zinc/82/00/41/1138820041.db2.gz IBCWSQLQZPGIKM-UHFFFAOYSA-N 1 0 308.353 2.256 20 10 DECDRO O=c1cc(-c2cnn(C3C[NH2+]C3)c2)ccn1Cc1cccc(F)c1 ZINC001241614697 1139835659 /nfs/dbraw/zinc/83/56/59/1139835659.db2.gz RIJPYCOUUULCHQ-UHFFFAOYSA-N 1 0 324.359 2.044 20 10 DECDRO Cn1c(=O)cc(-c2cnn(C3CC[NH2+]CC3)c2)c2ccccc21 ZINC001241778370 1139852622 /nfs/dbraw/zinc/85/26/22/1139852622.db2.gz KALYGJFYQOFPGL-UHFFFAOYSA-N 1 0 308.385 2.327 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cnccc3C2)c(O)c1 ZINC001249173786 1141856742 /nfs/dbraw/zinc/85/67/42/1141856742.db2.gz WLKFYCLNIPOOHK-UHFFFAOYSA-N 1 0 312.369 2.061 20 10 DECDRO CCCO[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249201540 1141859038 /nfs/dbraw/zinc/85/90/38/1141859038.db2.gz WXLMCHPDKBORTB-HNNXBMFYSA-N 1 0 307.390 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1 ZINC001249214255 1141859853 /nfs/dbraw/zinc/85/98/53/1141859853.db2.gz JMDDKIVGFZLJPP-UHFFFAOYSA-N 1 0 321.417 2.497 20 10 DECDRO CCC[N@H+](Cc1ccc(CC(=O)OC)cc1O)C1CCOCC1 ZINC001249214625 1141860045 /nfs/dbraw/zinc/86/00/45/1141860045.db2.gz ONQLSDYMNWGCKL-UHFFFAOYSA-N 1 0 321.417 2.499 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CN(C)C(=O)O1 ZINC001324259029 1142041259 /nfs/dbraw/zinc/04/12/59/1142041259.db2.gz ZDDFRCOUKKSLSB-INIZCTEOSA-N 1 0 305.422 2.414 20 10 DECDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C(=O)OC(C)(C)C ZINC001253686197 1142891041 /nfs/dbraw/zinc/89/10/41/1142891041.db2.gz BRNDHZRNPYNNDW-INIZCTEOSA-N 1 0 322.449 2.277 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254516451 1143174886 /nfs/dbraw/zinc/17/48/86/1143174886.db2.gz MLVGTWAMFWRCKE-MRXNPFEDSA-N 1 0 303.450 2.302 20 10 DECDRO CSCC[C@H]([NH3+])CC(=O)NCCCSc1nccs1 ZINC001340065001 1143251125 /nfs/dbraw/zinc/25/11/25/1143251125.db2.gz WIAUFVNQIGYVSK-JTQLQIEISA-N 1 0 319.521 2.212 20 10 DECDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)c1ccccc1O ZINC001342404161 1143815868 /nfs/dbraw/zinc/81/58/68/1143815868.db2.gz DIOQVFPMIOECGQ-LNCBFAARSA-N 1 0 318.417 2.117 20 10 DECDRO C[C@]1(CO)C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@]1(C)CO ZINC001261830311 1144277868 /nfs/dbraw/zinc/27/78/68/1144277868.db2.gz RUTKUCVGBZUHSC-KDURUIRLSA-N 1 0 318.461 2.100 20 10 DECDRO CCCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265531496 1144709678 /nfs/dbraw/zinc/70/96/78/1144709678.db2.gz LNZVMEWXQAIKRQ-IYBDPMFKSA-N 1 0 320.433 2.167 20 10 DECDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001301481527 1147292836 /nfs/dbraw/zinc/29/28/36/1147292836.db2.gz NUXPVPNHZWBXHQ-DZGCQCFKSA-N 1 0 320.433 2.219 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001318398087 1147821706 /nfs/dbraw/zinc/82/17/06/1147821706.db2.gz PQRHNGCIJHTTQQ-DLBZAZTESA-N 1 0 318.465 2.425 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)cc2)CC1 ZINC001324720632 1147835980 /nfs/dbraw/zinc/83/59/80/1147835980.db2.gz LQZWOGDCUBNRNC-GOSISDBHSA-N 1 0 316.445 2.259 20 10 DECDRO COCCNC(=O)C1([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325575150 1147953567 /nfs/dbraw/zinc/95/35/67/1147953567.db2.gz VZPUNGKAGIDGED-CHWSQXEVSA-N 1 0 318.417 2.134 20 10 DECDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326447946 1148102767 /nfs/dbraw/zinc/10/27/67/1148102767.db2.gz ZMCGKUKBFYHYRC-OAHLLOKOSA-N 1 0 323.456 2.076 20 10 DECDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001326626212 1148168369 /nfs/dbraw/zinc/16/83/69/1148168369.db2.gz IJMWBHRRJMKKMI-GDBMZVCRSA-N 1 0 302.418 2.405 20 10 DECDRO COCCOCCC[NH2+]Cc1cc(Br)ccc1O ZINC000227435387 533066381 /nfs/dbraw/zinc/06/63/81/533066381.db2.gz CAIOQNUZGVEDIR-UHFFFAOYSA-N 1 0 318.211 2.297 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1O ZINC000272818072 130066641 /nfs/dbraw/zinc/06/66/41/130066641.db2.gz FGEOAXJFKTXUHB-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC3CC[NH+](C)CC3)ccc21 ZINC000273252821 130101199 /nfs/dbraw/zinc/10/11/99/130101199.db2.gz RVBKBYAFLUMFAS-UHFFFAOYSA-N 1 0 315.461 2.417 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000273362491 130110645 /nfs/dbraw/zinc/11/06/45/130110645.db2.gz DFAJSNYTFDHCNP-GFCCVEGCSA-N 1 0 308.422 2.417 20 10 DECDRO CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285524989 131177879 /nfs/dbraw/zinc/17/78/79/131177879.db2.gz BJUCVDVYJXIZGO-BBRMVZONSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cnnn2C)c(C(F)(F)F)c1 ZINC000288406742 131323257 /nfs/dbraw/zinc/32/32/57/131323257.db2.gz INFNFGKEIKQSFU-UHFFFAOYSA-N 1 0 313.327 2.190 20 10 DECDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000298725949 132075340 /nfs/dbraw/zinc/07/53/40/132075340.db2.gz OKXRKAYIOMKBCA-CQSZACIVSA-N 1 0 305.422 2.266 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCCCOC ZINC000076074104 401781092 /nfs/dbraw/zinc/78/10/92/401781092.db2.gz OLDMIKQLPMDLFH-AWEZNQCLSA-N 1 0 308.422 2.145 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000026417427 401840367 /nfs/dbraw/zinc/84/03/67/401840367.db2.gz KRNQVHXWRABQQP-VQTJNVASSA-N 1 0 324.424 2.476 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000093817589 402021241 /nfs/dbraw/zinc/02/12/41/402021241.db2.gz ZQPCRLRUEGPPRR-INIZCTEOSA-N 1 0 304.434 2.163 20 10 DECDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000154085091 402191722 /nfs/dbraw/zinc/19/17/22/402191722.db2.gz FLHMJFFIDQNJLV-LBPRGKRZSA-N 1 0 320.414 2.151 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(F)cc1 ZINC000109772659 402276182 /nfs/dbraw/zinc/27/61/82/402276182.db2.gz AKXDJQBLQLCUNT-OAHLLOKOSA-N 1 0 305.349 2.403 20 10 DECDRO COC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184672625 402290013 /nfs/dbraw/zinc/29/00/13/402290013.db2.gz MURVCKBTYUMKOF-UHFFFAOYSA-N 1 0 313.781 2.439 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000176243837 402294055 /nfs/dbraw/zinc/29/40/55/402294055.db2.gz QSFPWRDOZGPPOB-UHFFFAOYSA-N 1 0 306.454 2.236 20 10 DECDRO CC[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176248785 402294057 /nfs/dbraw/zinc/29/40/57/402294057.db2.gz MOGGZOQQCIIJRY-HNNXBMFYSA-N 1 0 303.450 2.443 20 10 DECDRO COc1cc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000184787487 402299764 /nfs/dbraw/zinc/29/97/64/402299764.db2.gz NAFSVCNIDIXDLB-UHFFFAOYSA-N 1 0 309.366 2.142 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176557201 402319448 /nfs/dbraw/zinc/31/94/48/402319448.db2.gz OCUJWYXOIOTPKR-HUUCEWRRSA-N 1 0 305.422 2.406 20 10 DECDRO CN(C)c1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237120407 402395531 /nfs/dbraw/zinc/39/55/31/402395531.db2.gz ALVVTYKRQIIJJZ-MQVJKMGUSA-N 1 0 301.434 2.290 20 10 DECDRO C[C@H]([NH2+]CCCOCCO)c1cc(Br)ccc1O ZINC000186513669 402438190 /nfs/dbraw/zinc/43/81/90/402438190.db2.gz KCZYSKGLBBIAQO-JTQLQIEISA-N 1 0 318.211 2.204 20 10 DECDRO Cc1ccc(O)c(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000179627608 402596557 /nfs/dbraw/zinc/59/65/57/402596557.db2.gz QEQXIFJVIINUBX-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(O)c1O ZINC000182484738 402694121 /nfs/dbraw/zinc/69/41/21/402694121.db2.gz SVSZVIFTSFIVDT-UHFFFAOYSA-N 1 0 318.417 2.497 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000262727609 402729908 /nfs/dbraw/zinc/72/99/08/402729908.db2.gz ATMOBQMQQBWXDD-KGLIPLIRSA-N 1 0 312.417 2.312 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000183467495 402769849 /nfs/dbraw/zinc/76/98/49/402769849.db2.gz YHLBVGLDBLJHPV-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO COc1c(O)c(CN2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278153686 402860466 /nfs/dbraw/zinc/86/04/66/402860466.db2.gz COHAFDOCFGIZQD-UHFFFAOYSA-N 1 0 323.393 2.271 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280860305 403044226 /nfs/dbraw/zinc/04/42/26/403044226.db2.gz NFKCOECIJNHTLT-RYRKJORJSA-N 1 0 306.450 2.438 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000280972440 403055919 /nfs/dbraw/zinc/05/59/19/403055919.db2.gz LKTWJYROWQMOCZ-JSGCOSHPSA-N 1 0 306.406 2.310 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000281685603 403081904 /nfs/dbraw/zinc/08/19/04/403081904.db2.gz BDAASZOUUQMVBX-HXUWFJFHSA-N 1 0 317.838 2.445 20 10 DECDRO CC[N@H+](CCOCCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000282081534 403120769 /nfs/dbraw/zinc/12/07/69/403120769.db2.gz NZZVAPCFQJRCTQ-UHFFFAOYSA-N 1 0 315.797 2.079 20 10 DECDRO COCCOCCOCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000276400757 403171149 /nfs/dbraw/zinc/17/11/49/403171149.db2.gz UKKWVCDLYOOVRW-UHFFFAOYSA-N 1 0 311.422 2.120 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000270738219 403219164 /nfs/dbraw/zinc/21/91/64/403219164.db2.gz QZKFFXVXZZSEQH-KRWDZBQOSA-N 1 0 313.445 2.293 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276508901 403182310 /nfs/dbraw/zinc/18/23/10/403182310.db2.gz AVRMJDFPGUKDML-NSHDSACASA-N 1 0 310.369 2.087 20 10 DECDRO c1cnnc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000277028725 403196886 /nfs/dbraw/zinc/19/68/86/403196886.db2.gz NNSMNAPKSDNRKS-UHFFFAOYSA-N 1 0 310.401 2.170 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000271037417 403256565 /nfs/dbraw/zinc/25/65/65/403256565.db2.gz MGIKHOXXQVCTRS-NEPJUHHUSA-N 1 0 321.377 2.285 20 10 DECDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293864214 403585639 /nfs/dbraw/zinc/58/56/39/403585639.db2.gz UQIBGNDANYGZNC-QGZVFWFLSA-N 1 0 322.424 2.444 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1N(C)C ZINC000294305062 403698840 /nfs/dbraw/zinc/69/88/40/403698840.db2.gz XEJDZJIKDVIBSF-YJBOKZPZSA-N 1 0 304.434 2.441 20 10 DECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295363336 403881601 /nfs/dbraw/zinc/88/16/01/403881601.db2.gz NXWVULDSENEQNJ-UHFFFAOYSA-N 1 0 302.777 2.485 20 10 DECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000289655921 403991345 /nfs/dbraw/zinc/99/13/45/403991345.db2.gz MZTKCENHBJVDSI-HOCLYGCPSA-N 1 0 321.440 2.187 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)c(OC)n1 ZINC000289806615 403999664 /nfs/dbraw/zinc/99/96/64/403999664.db2.gz ZMQHZRLDTRZRGW-UHFFFAOYSA-N 1 0 301.390 2.455 20 10 DECDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000295864834 404016415 /nfs/dbraw/zinc/01/64/15/404016415.db2.gz OPONDVWQCGIYLS-LBPRGKRZSA-N 1 0 322.380 2.327 20 10 DECDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290249283 404097731 /nfs/dbraw/zinc/09/77/31/404097731.db2.gz UCCKGNJVZSSLPD-SJLPKXTDSA-N 1 0 315.461 2.319 20 10 DECDRO COCCOCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000290257167 404100203 /nfs/dbraw/zinc/10/02/03/404100203.db2.gz WFWNFJIZMYKTGB-UHFFFAOYSA-N 1 0 318.211 2.250 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000296021131 404054457 /nfs/dbraw/zinc/05/44/57/404054457.db2.gz MJFCDUMEAPOTNY-ZFWWWQNUSA-N 1 0 307.413 2.416 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366273427 404784183 /nfs/dbraw/zinc/78/41/83/404784183.db2.gz SZMDGXIXIVVNDV-GOSISDBHSA-N 1 0 315.461 2.443 20 10 DECDRO COCCOCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185136925 292582622 /nfs/dbraw/zinc/58/26/22/292582622.db2.gz HEDLDIRKSPFDHQ-JTQLQIEISA-N 1 0 318.211 2.468 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418102549 229220616 /nfs/dbraw/zinc/22/06/16/229220616.db2.gz USJHSJRULODLIA-CYBMUJFWSA-N 1 0 300.406 2.038 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000423081112 230341871 /nfs/dbraw/zinc/34/18/71/230341871.db2.gz BEVUFYIZVBBYSF-DZGCQCFKSA-N 1 0 301.434 2.343 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](C)O ZINC000834886238 649857838 /nfs/dbraw/zinc/85/78/38/649857838.db2.gz AVFCPDWYGKLHHI-XEZPLFJOSA-N 1 0 310.413 2.472 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)c2c1c(F)ccc2O ZINC000834901852 649858504 /nfs/dbraw/zinc/85/85/04/649858504.db2.gz ACODTOUOPXLCOK-FZMZJTMJSA-N 1 0 308.397 2.126 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCC[NH3+])ccc21 ZINC000653053650 425390583 /nfs/dbraw/zinc/39/05/83/425390583.db2.gz ZBEWAKLGNJLJGL-UHFFFAOYSA-N 1 0 317.433 2.325 20 10 DECDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000290965380 277345477 /nfs/dbraw/zinc/34/54/77/277345477.db2.gz RXZPHYCEPUBFDT-KBPBESRZSA-N 1 0 318.339 2.275 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289668421 278011430 /nfs/dbraw/zinc/01/14/30/278011430.db2.gz NNAJGJHLUSBTNQ-NEPJUHHUSA-N 1 0 319.323 2.394 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000363712711 332227555 /nfs/dbraw/zinc/22/75/55/332227555.db2.gz KHMFLUTXALOVLU-XJKSGUPXSA-N 1 0 300.406 2.445 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361279 333207551 /nfs/dbraw/zinc/20/75/51/333207551.db2.gz PBZCYQJOPRDBPR-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)c(O)c1 ZINC000527802607 337764941 /nfs/dbraw/zinc/76/49/41/337764941.db2.gz XUUCGLZSDVXMAU-INIZCTEOSA-N 1 0 312.369 2.444 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H]([NH3+])CC(C)C)C2)cc1 ZINC001357823906 1152341993 /nfs/dbraw/zinc/34/19/93/1152341993.db2.gz CSHAYGZSUQXUOX-HUUCEWRRSA-N 1 0 319.449 2.154 20 10 DECDRO COCCN(C[C@@H]1CCC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC001329878041 1149008370 /nfs/dbraw/zinc/00/83/70/1149008370.db2.gz KYGQXVSGFUGTJI-CQSZACIVSA-N 1 0 308.422 2.156 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000835025520 649868019 /nfs/dbraw/zinc/86/80/19/649868019.db2.gz KEQZZXCGGMSOPK-WAYWQWQTSA-N 1 0 301.434 2.496 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCOC2=O)cc1 ZINC000835035331 649869591 /nfs/dbraw/zinc/86/95/91/649869591.db2.gz AQUYSLSXOKEXND-HWKANZROSA-N 1 0 303.406 2.198 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCOC[C@@H]2CCOC2)cc1 ZINC000835035688 649869846 /nfs/dbraw/zinc/86/98/46/649869846.db2.gz DGMQDXACVUQQNP-REMYHPOOSA-N 1 0 304.434 2.409 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245565610 534472998 /nfs/dbraw/zinc/47/29/98/534472998.db2.gz RVGZBDSJJYTZKW-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(OC)ccc2O)C1(C)C ZINC000188900384 520449599 /nfs/dbraw/zinc/44/95/99/520449599.db2.gz GJPIPJBRGUDMFK-NVXWUHKLSA-N 1 0 309.406 2.057 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C(C)(C)CC)cc2=O ZINC000265065938 521580389 /nfs/dbraw/zinc/58/03/89/521580389.db2.gz UPARYOYDOCRAFA-UHFFFAOYSA-N 1 0 320.393 2.232 20 10 DECDRO COc1cc(O)c(CN2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000179965014 522771861 /nfs/dbraw/zinc/77/18/61/522771861.db2.gz ZOOKCAPRIAGEAF-UHFFFAOYSA-N 1 0 308.422 2.372 20 10 DECDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000156337461 523307360 /nfs/dbraw/zinc/30/73/60/523307360.db2.gz ZMQWGWBIYUOHJJ-CQSZACIVSA-N 1 0 309.431 2.490 20 10 DECDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001327485076 1148565918 /nfs/dbraw/zinc/56/59/18/1148565918.db2.gz CWMRPGOPPFFZGB-AWEZNQCLSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000157855998 525178630 /nfs/dbraw/zinc/17/86/30/525178630.db2.gz DCFRNZYCBIPRQC-KRWDZBQOSA-N 1 0 319.332 2.257 20 10 DECDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc2c(cc1O)CCCC2 ZINC000184866972 525450549 /nfs/dbraw/zinc/45/05/49/525450549.db2.gz KWGGJWVMKOKIBH-GFCCVEGCSA-N 1 0 302.418 2.448 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)CS(C)(=O)=O)cc1 ZINC000835047309 649871137 /nfs/dbraw/zinc/87/11/37/649871137.db2.gz QQFLQKBTSIKJTJ-VOTSOKGWSA-N 1 0 310.463 2.179 20 10 DECDRO CNC(=O)[C@@]1(C)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053137 649872458 /nfs/dbraw/zinc/87/24/58/649872458.db2.gz STEXDGUQPKGGKF-XFHJGTJQSA-N 1 0 301.434 2.224 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000835053397 649872567 /nfs/dbraw/zinc/87/25/67/649872567.db2.gz BXIWHAVHHAJRCY-ZMBJWTFHSA-N 1 0 317.477 2.202 20 10 DECDRO C[C@@H]1OCC[C@@H]1[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835055682 649872682 /nfs/dbraw/zinc/87/26/82/649872682.db2.gz XLVKTDFAUPHBKP-JVUKZBMMSA-N 1 0 304.434 2.238 20 10 DECDRO CO[C@@H]1COCC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055565 649872789 /nfs/dbraw/zinc/87/27/89/649872789.db2.gz WIKMFSKSGHIMSZ-IMBPEULASA-N 1 0 304.434 2.407 20 10 DECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000835055708 649873061 /nfs/dbraw/zinc/87/30/61/649873061.db2.gz YAHGMDNLCNVWPU-YKZUCCNHSA-N 1 0 317.477 2.153 20 10 DECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000835089220 649877644 /nfs/dbraw/zinc/87/76/44/649877644.db2.gz XSWPJPZEFJBZII-UKRRQHHQSA-N 1 0 308.397 2.319 20 10 DECDRO COc1cc(C[NH+]2CCC(N3CCCC3=O)CC2)c(O)cc1C ZINC000160154701 622566175 /nfs/dbraw/zinc/56/61/75/622566175.db2.gz GOBDFGQIEAKLSQ-UHFFFAOYSA-N 1 0 318.417 2.296 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(O)cc1C ZINC000160178203 622570459 /nfs/dbraw/zinc/57/04/59/622570459.db2.gz DIGIVHOXXMBKLF-OAHLLOKOSA-N 1 0 318.417 2.296 20 10 DECDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccccn3)SC2=S)CC1 ZINC000255728362 625643515 /nfs/dbraw/zinc/64/35/15/625643515.db2.gz BAHFMEXIEAQDPN-JLHYYAGUSA-N 1 0 319.455 2.377 20 10 DECDRO CO[C@@H](C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247576 623792243 /nfs/dbraw/zinc/79/22/43/623792243.db2.gz IGJHHZZLCLAZTI-YOEHRIQHSA-N 1 0 321.465 2.287 20 10 DECDRO Cc1ncoc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252352 623799100 /nfs/dbraw/zinc/79/91/00/623799100.db2.gz JRDBIUNWNBUCIK-HNNXBMFYSA-N 1 0 316.405 2.082 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000891255694 623805313 /nfs/dbraw/zinc/80/53/13/623805313.db2.gz RFOOQXBEAWXBCG-CYBMUJFWSA-N 1 0 317.355 2.424 20 10 DECDRO CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001024282643 625687166 /nfs/dbraw/zinc/68/71/66/625687166.db2.gz QIPOGIYSNNQNPL-GFCCVEGCSA-N 1 0 317.393 2.311 20 10 DECDRO CCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891423232 624159364 /nfs/dbraw/zinc/15/93/64/624159364.db2.gz JZUHZSDZIOYCKQ-MRXNPFEDSA-N 1 0 306.454 2.455 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891567921 624480091 /nfs/dbraw/zinc/48/00/91/624480091.db2.gz 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322.474 2.460 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000922680685 636315881 /nfs/dbraw/zinc/31/58/81/636315881.db2.gz VHKVQXVWDGEDKQ-UHFFFAOYSA-N 1 0 319.426 2.436 20 10 DECDRO CCOC(=O)N1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894166855 636353023 /nfs/dbraw/zinc/35/30/23/636353023.db2.gz VFGURNYSAUQPPV-UHFFFAOYSA-N 1 0 322.405 2.420 20 10 DECDRO CCOCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894385936 636976683 /nfs/dbraw/zinc/97/66/83/636976683.db2.gz RGHYEPJSNNXNRP-UHFFFAOYSA-N 1 0 308.353 2.230 20 10 DECDRO COc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(O)c1OC ZINC000894411959 637020594 /nfs/dbraw/zinc/02/05/94/637020594.db2.gz CPTYMXMYZQSNBF-UKRRQHHQSA-N 1 0 320.433 2.468 20 10 DECDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(O)c1OC ZINC000894446672 637043005 /nfs/dbraw/zinc/04/30/05/637043005.db2.gz SPCKNZDRFXJOME-ZFWWWQNUSA-N 1 0 320.433 2.468 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H](O)COc1ccccc1 ZINC000923285906 637087401 /nfs/dbraw/zinc/08/74/01/637087401.db2.gz 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CCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000895840810 638220475 /nfs/dbraw/zinc/22/04/75/638220475.db2.gz KZBPULKILRLHQP-LBPRGKRZSA-N 1 0 311.813 2.329 20 10 DECDRO CCC[NH+]1CCC(NC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000745821106 638292438 /nfs/dbraw/zinc/29/24/38/638292438.db2.gz XEGHMXOHEKHRBC-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000745856423 638294345 /nfs/dbraw/zinc/29/43/45/638294345.db2.gz CLWBGEBHBBQCIX-HOCLYGCPSA-N 1 0 318.465 2.377 20 10 DECDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1ccccc1O ZINC000895992548 638302830 /nfs/dbraw/zinc/30/28/30/638302830.db2.gz KMMXLNCNFFCRGH-MRXNPFEDSA-N 1 0 304.434 2.467 20 10 DECDRO Nc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000841036434 650410811 /nfs/dbraw/zinc/41/08/11/650410811.db2.gz NLHKCIJIKXYURY-UHFFFAOYSA-N 1 0 311.429 2.438 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000841042964 650412468 /nfs/dbraw/zinc/41/24/68/650412468.db2.gz 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639132207 /nfs/dbraw/zinc/13/22/07/639132207.db2.gz YETRQEANTIIPAP-CQSZACIVSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000897176200 639224965 /nfs/dbraw/zinc/22/49/65/639224965.db2.gz PREKZGUAOXJOFS-INIZCTEOSA-N 1 0 305.418 2.454 20 10 DECDRO CCC[N@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000022013988 639530581 /nfs/dbraw/zinc/53/05/81/639530581.db2.gz DWAFYXBOSJBDBV-HNNXBMFYSA-N 1 0 311.447 2.408 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000756529279 639669788 /nfs/dbraw/zinc/66/97/88/639669788.db2.gz RJNRYZYMRXDAPE-RYUDHWBXSA-N 1 0 308.378 2.282 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000756553943 639673514 /nfs/dbraw/zinc/67/35/14/639673514.db2.gz NKRJXFKUTGVDJR-CHWSQXEVSA-N 1 0 306.406 2.171 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1C ZINC000756759925 639692922 /nfs/dbraw/zinc/69/29/22/639692922.db2.gz HZYZKTJLWXLORG-CYBMUJFWSA-N 1 0 311.447 2.484 20 10 DECDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000756770722 639694059 /nfs/dbraw/zinc/69/40/59/639694059.db2.gz ZVDSHJPITHRPIZ-NWDGAFQWSA-N 1 0 311.447 2.355 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000839583267 639761800 /nfs/dbraw/zinc/76/18/00/639761800.db2.gz FYOSWWUVAUEIHM-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000841656127 650530944 /nfs/dbraw/zinc/53/09/44/650530944.db2.gz WRNXONWBLHSVAX-GDBMZVCRSA-N 1 0 304.438 2.069 20 10 DECDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729050111 640000396 /nfs/dbraw/zinc/00/03/96/640000396.db2.gz WHKOEWPQOJYSLB-STQMWFEESA-N 1 0 323.437 2.491 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000841720671 650551393 /nfs/dbraw/zinc/55/13/93/650551393.db2.gz YTAXPKSJZNFECX-GOEBONIOSA-N 1 0 318.465 2.412 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000841709939 650547155 /nfs/dbraw/zinc/54/71/55/650547155.db2.gz PWMWHXQULNMKIM-MRXNPFEDSA-N 1 0 316.449 2.228 20 10 DECDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841743042 650555931 /nfs/dbraw/zinc/55/59/31/650555931.db2.gz BVJMCWGKKRIBOM-ZDUSSCGKSA-N 1 0 311.857 2.334 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000841829151 650573868 /nfs/dbraw/zinc/57/38/68/650573868.db2.gz YBECCAZOOLJLMW-UHFFFAOYSA-N 1 0 304.438 2.130 20 10 DECDRO C[NH+](C)CC[C@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000841829356 650573926 /nfs/dbraw/zinc/57/39/26/650573926.db2.gz PRVLIDLPYLMQAJ-INIZCTEOSA-N 1 0 320.481 2.477 20 10 DECDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831058 650574883 /nfs/dbraw/zinc/57/48/83/650574883.db2.gz AGWOSDSWVUUMFH-HNNXBMFYSA-N 1 0 316.449 2.380 20 10 DECDRO C[C@H]1[NH2+]CCN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000841856396 650581469 /nfs/dbraw/zinc/58/14/69/650581469.db2.gz JETHIAZYXNSTCN-GHMZBOCLSA-N 1 0 314.480 2.017 20 10 DECDRO Nc1ccc(CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000841857713 650582516 /nfs/dbraw/zinc/58/25/16/650582516.db2.gz WEDAWZMMJONCSL-UHFFFAOYSA-N 1 0 316.430 2.374 20 10 DECDRO Cc1cc(N)nc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897521092 640536516 /nfs/dbraw/zinc/53/65/16/640536516.db2.gz CCYPOQRTXFQIBJ-HNNXBMFYSA-N 1 0 314.437 2.148 20 10 DECDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(N(C)C)cc1 ZINC000841880814 650590896 /nfs/dbraw/zinc/59/08/96/650590896.db2.gz HYHPVHZVOQQSJR-GXFFZTMASA-N 1 0 314.380 2.095 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880536 650591145 /nfs/dbraw/zinc/59/11/45/650591145.db2.gz BYYLRMVDUWRENA-NFAWXSAZSA-N 1 0 304.438 2.253 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(N(C)C)cc1 ZINC000841882069 650592150 /nfs/dbraw/zinc/59/21/50/650592150.db2.gz VXFCOKKAWJHWIR-KBXCAEBGSA-N 1 0 316.449 2.209 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000841882137 650592254 /nfs/dbraw/zinc/59/22/54/650592254.db2.gz WPOPLIUVDNKHHB-JLJPHGGASA-N 1 0 316.449 2.207 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765283185 640761677 /nfs/dbraw/zinc/76/16/77/640761677.db2.gz ZVLAONIAFSUDOZ-GOEBONIOSA-N 1 0 321.440 2.407 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000765750277 640815378 /nfs/dbraw/zinc/81/53/78/640815378.db2.gz GHNSLDPMZQJKTC-HUUCEWRRSA-N 1 0 318.465 2.377 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765766081 640817075 /nfs/dbraw/zinc/81/70/75/640817075.db2.gz BAECDUNBYONZTB-ZFWWWQNUSA-N 1 0 307.413 2.017 20 10 DECDRO CC[S@](=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000765947755 640832369 /nfs/dbraw/zinc/83/23/69/640832369.db2.gz VCKHNGFHFZIJPL-NRFANRHFSA-N 1 0 310.463 2.022 20 10 DECDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978271 640835192 /nfs/dbraw/zinc/83/51/92/640835192.db2.gz NNBAAVRXDUOFKI-OAHLLOKOSA-N 1 0 324.490 2.446 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000765980861 640836369 /nfs/dbraw/zinc/83/63/69/640836369.db2.gz ULLAXBAWBROVDG-KRWDZBQOSA-N 1 0 324.490 2.446 20 10 DECDRO CCC[NH2+]CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841965853 650615243 /nfs/dbraw/zinc/61/52/43/650615243.db2.gz YZMLUEOLPASCSA-UHFFFAOYSA-N 1 0 305.422 2.070 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000841966659 650615368 /nfs/dbraw/zinc/61/53/68/650615368.db2.gz XDMHORFDANILEX-QGZVFWFLSA-N 1 0 316.449 2.164 20 10 DECDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000897648244 640889997 /nfs/dbraw/zinc/88/99/97/640889997.db2.gz RPAINCHMTXYYMF-UKRRQHHQSA-N 1 0 322.405 2.116 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766529920 640891856 /nfs/dbraw/zinc/89/18/56/640891856.db2.gz CCOPMIHUEWKUJI-INIZCTEOSA-N 1 0 312.417 2.487 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000841968751 650616436 /nfs/dbraw/zinc/61/64/36/650616436.db2.gz BEQOINYXATXLEX-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000842004609 650625172 /nfs/dbraw/zinc/62/51/72/650625172.db2.gz HAJHTFDNTXFYAZ-OAHLLOKOSA-N 1 0 306.454 2.412 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)c(O)c1 ZINC000769055941 641162749 /nfs/dbraw/zinc/16/27/49/641162749.db2.gz KLRYHRIOFBHOQK-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1O ZINC000769416445 641236414 /nfs/dbraw/zinc/23/64/14/641236414.db2.gz LYLWNZZMDLLRAK-CQSZACIVSA-N 1 0 307.390 2.219 20 10 DECDRO CCOc1ccc(C[NH+]2CCN(CCOC(C)C)CC2)c(O)c1 ZINC000769469400 641246143 /nfs/dbraw/zinc/24/61/43/641246143.db2.gz XQXQIHPVYIZGGI-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c(O)c1 ZINC000770386248 641362749 /nfs/dbraw/zinc/36/27/49/641362749.db2.gz YYEXLFXDPHMURY-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO Cc1cn[nH]c1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449561 641661252 /nfs/dbraw/zinc/66/12/52/641661252.db2.gz HGJBSGLKUAEQKG-QGZVFWFLSA-N 1 0 301.438 2.177 20 10 DECDRO CCn1cncc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898446962 641665197 /nfs/dbraw/zinc/66/51/97/641665197.db2.gz CPMSEAGSLFVQOW-SFHVURJKSA-N 1 0 315.465 2.362 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@@H](C)[S@](C)=O)CC2)cc1 ZINC000773062445 641723663 /nfs/dbraw/zinc/72/36/63/641723663.db2.gz CUFUNQKPRYNLSR-PEBXRYMYSA-N 1 0 324.490 2.411 20 10 DECDRO COc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)cc1C ZINC000773328377 641759605 /nfs/dbraw/zinc/75/96/05/641759605.db2.gz KKXFVVCGIOWRGR-UHFFFAOYSA-N 1 0 318.417 2.154 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCC2)[NH+](C)C)cc1 ZINC000899101023 641941705 /nfs/dbraw/zinc/94/17/05/641941705.db2.gz GXXCYMBFGQYYMW-INIZCTEOSA-N 1 0 304.438 2.161 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2CC2)[NH+](C)C)cc1 ZINC000899100635 641941939 /nfs/dbraw/zinc/94/19/39/641941939.db2.gz BLSJYHPXSURPQY-QGZVFWFLSA-N 1 0 318.465 2.407 20 10 DECDRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255934 642022560 /nfs/dbraw/zinc/02/25/60/642022560.db2.gz SBDZTOXRYCKAKQ-OWTLUSIOSA-N 1 0 318.417 2.293 20 10 DECDRO CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Cl)ccc1O ZINC000775548587 642057659 /nfs/dbraw/zinc/05/76/59/642057659.db2.gz VZDVPGPNUQFNSH-GFCCVEGCSA-N 1 0 322.796 2.239 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000775676780 642077426 /nfs/dbraw/zinc/07/74/26/642077426.db2.gz ZMXHWFGAXJCIJN-OAHLLOKOSA-N 1 0 305.491 2.376 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000775834924 642103147 /nfs/dbraw/zinc/10/31/47/642103147.db2.gz VXVCBHYZKYNFLP-KEYYUXOJSA-N 1 0 319.449 2.087 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000776252312 642149314 /nfs/dbraw/zinc/14/93/14/642149314.db2.gz BIUFLTLCDNEZRX-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO C[NH+](C)C1(CNC(=O)c2cccc(O)c2O)CCCCCC1 ZINC000776326012 642158622 /nfs/dbraw/zinc/15/86/22/642158622.db2.gz VECMKXJLKCZEIT-UHFFFAOYSA-N 1 0 306.406 2.482 20 10 DECDRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000778216927 642354502 /nfs/dbraw/zinc/35/45/02/642354502.db2.gz RVMMVSYGWVGJBJ-NVXWUHKLSA-N 1 0 322.424 2.303 20 10 DECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000902419730 643033359 /nfs/dbraw/zinc/03/33/59/643033359.db2.gz SIQZULJNRQPZEG-ZDUSSCGKSA-N 1 0 300.358 2.325 20 10 DECDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000902472998 643041150 /nfs/dbraw/zinc/04/11/50/643041150.db2.gz NUGXKUYYOUUUNX-QIJZBDPFSA-N 1 0 319.424 2.206 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842721254 650811489 /nfs/dbraw/zinc/81/14/89/650811489.db2.gz QZBYTKUUGCHZRS-ZDUSSCGKSA-N 1 0 306.406 2.280 20 10 DECDRO CC1CCN(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000842786278 650825459 /nfs/dbraw/zinc/82/54/59/650825459.db2.gz VGQKBMMGLDBGMK-INIZCTEOSA-N 1 0 304.438 2.194 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c(O)c1 ZINC000903373014 643330660 /nfs/dbraw/zinc/33/06/60/643330660.db2.gz QZMNXNFSTOKVPC-AWEZNQCLSA-N 1 0 321.417 2.399 20 10 DECDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncc[nH]1 ZINC000903448189 643354650 /nfs/dbraw/zinc/35/46/50/643354650.db2.gz LWAOQEKCENEUQK-BBRMVZONSA-N 1 0 301.438 2.429 20 10 DECDRO COc1cc(Br)cc(C[N@H+](C)CCCCO)c1O ZINC000788269799 643585708 /nfs/dbraw/zinc/58/57/08/643585708.db2.gz ROEOYHXIUQVFLK-UHFFFAOYSA-N 1 0 318.211 2.368 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1 ZINC000788669390 643634560 /nfs/dbraw/zinc/63/45/60/643634560.db2.gz NUSAPMIJJFOQRL-CYBMUJFWSA-N 1 0 311.447 2.484 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788784132 643645306 /nfs/dbraw/zinc/64/53/06/643645306.db2.gz OYQDGRZISPUHIW-LSDHHAIUSA-N 1 0 311.422 2.074 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CCC2(O)CCC2)cc1F ZINC000905076715 643788272 /nfs/dbraw/zinc/78/82/72/643788272.db2.gz RTCONIULAZQQOT-AWEZNQCLSA-N 1 0 310.413 2.037 20 10 DECDRO COc1c(O)c(CN2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843045063 650875855 /nfs/dbraw/zinc/87/58/55/650875855.db2.gz HHGTUXKWSPHEMJ-JQWIXIFHSA-N 1 0 309.366 2.011 20 10 DECDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000790456140 643854857 /nfs/dbraw/zinc/85/48/57/643854857.db2.gz SFTNXDWMOHATJP-QGZVFWFLSA-N 1 0 314.429 2.468 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c(O)c1 ZINC000790618921 643873710 /nfs/dbraw/zinc/87/37/10/643873710.db2.gz LDINLIMRNIEBGK-XJKSGUPXSA-N 1 0 311.422 2.039 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790932333 643910909 /nfs/dbraw/zinc/91/09/09/643910909.db2.gz NTNOEKDGGWOYCP-AHIWAGSCSA-N 1 0 307.390 2.169 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c(O)cc1C ZINC000905682298 644004822 /nfs/dbraw/zinc/00/48/22/644004822.db2.gz LFKRKUVEWWFHOW-GFCCVEGCSA-N 1 0 303.362 2.390 20 10 DECDRO CCOc1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1O ZINC000843114103 650898255 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CC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000910268416 645378228 /nfs/dbraw/zinc/37/82/28/645378228.db2.gz WWCWFIHSQKRKPU-GFCCVEGCSA-N 1 0 317.393 2.405 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CNc3ccccc32)cc1 ZINC000911668551 645770627 /nfs/dbraw/zinc/77/06/27/645770627.db2.gz ZNZYXGTXFMGMTG-IAGOWNOFSA-N 1 0 324.428 2.078 20 10 DECDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000808435936 646085100 /nfs/dbraw/zinc/08/51/00/646085100.db2.gz DRXHJPYNPDNALW-GFCCVEGCSA-N 1 0 301.356 2.479 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000164272624 646426565 /nfs/dbraw/zinc/42/65/65/646426565.db2.gz OBAXXHAEYLWTBY-ZDUSSCGKSA-N 1 0 306.406 2.187 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000813455099 646772513 /nfs/dbraw/zinc/77/25/13/646772513.db2.gz ITRJUSPXIBLJGQ-UHFFFAOYSA-N 1 0 303.450 2.409 20 10 DECDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000814177557 646857565 /nfs/dbraw/zinc/85/75/65/646857565.db2.gz 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CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(O)c1 ZINC000827634079 649059746 /nfs/dbraw/zinc/05/97/46/649059746.db2.gz HRLYTYHINFJABO-CQSZACIVSA-N 1 0 318.417 2.235 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000827663161 649063412 /nfs/dbraw/zinc/06/34/12/649063412.db2.gz ZEFSPGIUFOZWGP-MRXNPFEDSA-N 1 0 304.434 2.164 20 10 DECDRO COCCOC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000827813099 649089388 /nfs/dbraw/zinc/08/93/88/649089388.db2.gz KTHALZJGRIBKET-QGZVFWFLSA-N 1 0 323.433 2.161 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000828667187 649207792 /nfs/dbraw/zinc/20/77/92/649207792.db2.gz NXRFAJNJTMLZFD-BLLLJJGKSA-N 1 0 314.385 2.321 20 10 DECDRO CC(C)([NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829004078 649258125 /nfs/dbraw/zinc/25/81/25/649258125.db2.gz ZJSFXOKMNFEBQE-CQSZACIVSA-N 1 0 306.406 2.027 20 10 DECDRO Oc1cc2c(cc1C[NH2+]Cc1cccc3c1OCCO3)OCO2 ZINC000733332251 649546538 /nfs/dbraw/zinc/54/65/38/649546538.db2.gz 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C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)C[N@@H+]1C1CC1 ZINC000845030298 651195448 /nfs/dbraw/zinc/19/54/48/651195448.db2.gz UUXDUDUVMJTVTJ-MFKMUULPSA-N 1 0 323.824 2.470 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846010907 651301116 /nfs/dbraw/zinc/30/11/16/651301116.db2.gz KDRRADYNVOGBLT-LJQANCHMSA-N 1 0 313.397 2.367 20 10 DECDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)CC1=O ZINC000846170639 651312906 /nfs/dbraw/zinc/31/29/06/651312906.db2.gz BLZICXUWOWYVOQ-CHWSQXEVSA-N 1 0 306.406 2.310 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000846447697 651331063 /nfs/dbraw/zinc/33/10/63/651331063.db2.gz VUERSFRJNBWEIS-QGZVFWFLSA-N 1 0 319.449 2.074 20 10 DECDRO C[C@H]1COCCN1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000846913774 651361348 /nfs/dbraw/zinc/36/13/48/651361348.db2.gz UJWRHMXTWBTYOV-INIZCTEOSA-N 1 0 317.477 2.438 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846932484 651362766 /nfs/dbraw/zinc/36/27/66/651362766.db2.gz 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ZINC000849025153 651586945 /nfs/dbraw/zinc/58/69/45/651586945.db2.gz QMPCFEBZOOBYEG-UHFFFAOYSA-N 1 0 305.403 2.319 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])NCC3CCC3)C2)cc1 ZINC000849043412 651592702 /nfs/dbraw/zinc/59/27/02/651592702.db2.gz BZRDBJAQDWSSLS-OAHLLOKOSA-N 1 0 316.449 2.436 20 10 DECDRO CN(C)c1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1F ZINC000113334378 651699141 /nfs/dbraw/zinc/69/91/41/651699141.db2.gz GWBGWWIBDBAXRX-UHFFFAOYSA-N 1 0 305.401 2.262 20 10 DECDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850011435 651802436 /nfs/dbraw/zinc/80/24/36/651802436.db2.gz WHSPUCCJJOKZSG-LLVKDONJSA-N 1 0 308.422 2.313 20 10 DECDRO CCn1nccc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346120 651904820 /nfs/dbraw/zinc/90/48/20/651904820.db2.gz CQEHECDHQDDHRK-AWEZNQCLSA-N 1 0 300.406 2.280 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cncc(OC)c3)C2)cc1 ZINC000850347782 651905788 /nfs/dbraw/zinc/90/57/88/651905788.db2.gz XKZCXFLRHNYXHA-HNNXBMFYSA-N 1 0 313.401 2.467 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)cc1 ZINC000850347625 651905986 /nfs/dbraw/zinc/90/59/86/651905986.db2.gz VBKRDMMQHGFSHI-OAHLLOKOSA-N 1 0 300.406 2.106 20 10 DECDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850350463 651906912 /nfs/dbraw/zinc/90/69/12/651906912.db2.gz CCEYORDWMAEHSS-QGZVFWFLSA-N 1 0 317.477 2.486 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850352710 651907654 /nfs/dbraw/zinc/90/76/54/651907654.db2.gz FYWHMJKOPHKEKD-CQSZACIVSA-N 1 0 312.369 2.078 20 10 DECDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850385895 651916617 /nfs/dbraw/zinc/91/66/17/651916617.db2.gz CLWOXVMIKQDSRX-ZDUSSCGKSA-N 1 0 306.406 2.331 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC000850400975 651921176 /nfs/dbraw/zinc/92/11/76/651921176.db2.gz RLNNOVPYIYQRFS-SFHVURJKSA-N 1 0 323.433 2.448 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3cncs3)cc2)CC1 ZINC000850405942 651921903 /nfs/dbraw/zinc/92/19/03/651921903.db2.gz LJAJQLNXQGUYBH-UHFFFAOYSA-N 1 0 303.431 2.394 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)[C@@]1(O)CCCOC1 ZINC000850401303 651922035 /nfs/dbraw/zinc/92/20/35/651922035.db2.gz WZXBBTHJXJHLGZ-GOSISDBHSA-N 1 0 305.418 2.279 20 10 DECDRO COc1cccc(C[NH2+]CC2(CC(N)=O)CCCCC2)c1O ZINC000850412381 651922751 /nfs/dbraw/zinc/92/27/51/651922751.db2.gz DTKGEFUNDNPPSJ-UHFFFAOYSA-N 1 0 306.406 2.316 20 10 DECDRO C[C@H](O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850420941 651925740 /nfs/dbraw/zinc/92/57/40/651925740.db2.gz UQQYSCOCKBPANU-GTNSWQLSSA-N 1 0 301.342 2.333 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccn(C)n3)C2)cc1 ZINC000850487600 651937744 /nfs/dbraw/zinc/93/77/44/651937744.db2.gz OEPHGDDQCRBVTO-KGLIPLIRSA-N 1 0 300.406 2.358 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000114541393 651961758 /nfs/dbraw/zinc/96/17/58/651961758.db2.gz ARIKFJAUBIEQKA-AVGNSLFASA-N 1 0 306.406 2.278 20 10 DECDRO COc1ccc(O)c(CNC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000114596165 651975720 /nfs/dbraw/zinc/97/57/20/651975720.db2.gz XCKNHZYQFAMRFJ-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@H]3COC(C)(C)O3)CC2)cc1 ZINC000851714018 652213237 /nfs/dbraw/zinc/21/32/37/652213237.db2.gz KTGHAHSFWPJNMW-KRWDZBQOSA-N 1 0 320.433 2.359 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000115821874 652245572 /nfs/dbraw/zinc/24/55/72/652245572.db2.gz BGXWHFMSYAWJIG-CQSZACIVSA-N 1 0 318.465 2.343 20 10 DECDRO CN(C)c1cc(F)c(CNc2cnn(CC[NH+](C)C)c2)cc1F ZINC000858124289 652259824 /nfs/dbraw/zinc/25/98/24/652259824.db2.gz JBXWESDSMBGAIV-UHFFFAOYSA-N 1 0 323.391 2.401 20 10 DECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172980 652270928 /nfs/dbraw/zinc/27/09/28/652270928.db2.gz MZHDDELNIRQFDL-BDJLRTHQSA-N 1 0 314.376 2.172 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1F ZINC000858228005 652284522 /nfs/dbraw/zinc/28/45/22/652284522.db2.gz XGVZHGYZSMLCMK-DLBZAZTESA-N 1 0 310.413 2.301 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)c1cc[nH+]c(CO)c1 ZINC000858327317 652307582 /nfs/dbraw/zinc/30/75/82/652307582.db2.gz OMHUQELAIIUEQO-UHFFFAOYSA-N 1 0 313.401 2.047 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852789359 652457316 /nfs/dbraw/zinc/45/73/16/652457316.db2.gz BVNSXSFIWVGZPA-WKILWMFISA-N 1 0 301.434 2.373 20 10 DECDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000852790763 652457362 /nfs/dbraw/zinc/45/73/62/652457362.db2.gz BDRNZDLAJGDFFF-KBRIMQKVSA-N 1 0 319.449 2.074 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2OC)c1O ZINC000853092913 652500311 /nfs/dbraw/zinc/50/03/11/652500311.db2.gz URRDSUQQBOVUTQ-CQSZACIVSA-N 1 0 303.358 2.233 20 10 DECDRO C[C@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+](C)C ZINC000854004433 652631993 /nfs/dbraw/zinc/63/19/93/652631993.db2.gz RPQQCUXVQJQBDR-KGLIPLIRSA-N 1 0 306.454 2.453 20 10 DECDRO CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218186 652659851 /nfs/dbraw/zinc/65/98/51/652659851.db2.gz TTYZWKSDIAHCJK-WBAXXEDZSA-N 1 0 303.450 2.394 20 10 DECDRO CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000854229979 652661478 /nfs/dbraw/zinc/66/14/78/652661478.db2.gz BYBFXUNJXMZRBS-OALUTQOASA-N 1 0 317.477 2.268 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCCC[NH+]1CCCCC1 ZINC000078946818 683968145 /nfs/dbraw/zinc/96/81/45/683968145.db2.gz UZSYZZSEMCJEOT-UHFFFAOYSA-N 1 0 305.422 2.410 20 10 DECDRO COc1ccc(N2CC[NH+](CCOCC3CC3)CC2)cc1F ZINC000084866860 684007386 /nfs/dbraw/zinc/00/73/86/684007386.db2.gz OWBRUSKBQFJPDD-UHFFFAOYSA-N 1 0 308.397 2.383 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1 ZINC000092101564 684040677 /nfs/dbraw/zinc/04/06/77/684040677.db2.gz TXIWETCUNKPWLM-CQSZACIVSA-N 1 0 306.406 2.091 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC000119304558 684078913 /nfs/dbraw/zinc/07/89/13/684078913.db2.gz LAJXGGKYMGJNJS-UHFFFAOYSA-N 1 0 303.450 2.409 20 10 DECDRO CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000125560231 684146699 /nfs/dbraw/zinc/14/66/99/684146699.db2.gz HJLGMPHWTRNVLI-HNNXBMFYSA-N 1 0 308.397 2.273 20 10 DECDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130598531 684190585 /nfs/dbraw/zinc/19/05/85/684190585.db2.gz MZFQXEUKSTZLJV-GXFFZTMASA-N 1 0 305.330 2.316 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861583438 686150472 /nfs/dbraw/zinc/15/04/72/686150472.db2.gz UXIDYZOFKSDOSH-INIZCTEOSA-N 1 0 316.449 2.145 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861589542 686151807 /nfs/dbraw/zinc/15/18/07/686151807.db2.gz ALQBZNIBGHYZQA-DLBZAZTESA-N 1 0 314.433 2.003 20 10 DECDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861620814 686160385 /nfs/dbraw/zinc/16/03/85/686160385.db2.gz NRKJBDCUSUBZAZ-WMLDXEAASA-N 1 0 318.465 2.453 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686219 686169501 /nfs/dbraw/zinc/16/95/01/686169501.db2.gz WEQMWZXMVXILOW-GDBMZVCRSA-N 1 0 318.465 2.425 20 10 DECDRO NC(=O)CC1([NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000862328992 686277356 /nfs/dbraw/zinc/27/73/56/686277356.db2.gz URUIQCYLIJCLSZ-UHFFFAOYSA-N 1 0 313.195 2.042 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862432589 686302119 /nfs/dbraw/zinc/30/21/19/686302119.db2.gz JOMSQBAHOAVRCH-SFHVURJKSA-N 1 0 317.385 2.494 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863031435 686422169 /nfs/dbraw/zinc/42/21/69/686422169.db2.gz GRAZCRFHXPBHHN-DDJMYBDESA-N 1 0 316.401 2.244 20 10 DECDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863545159 686519052 /nfs/dbraw/zinc/51/90/52/686519052.db2.gz JQBBTHAQHFYOGM-FMKPAKJESA-N 1 0 321.440 2.453 20 10 DECDRO COc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863645702 686539303 /nfs/dbraw/zinc/53/93/03/686539303.db2.gz KVFNSTWJULFRKW-AAEUAGOBSA-N 1 0 318.339 2.360 20 10 DECDRO COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646529 686539483 /nfs/dbraw/zinc/53/94/83/686539483.db2.gz LZGBDOHJURQUDS-CMPLNLGQSA-N 1 0 318.339 2.360 20 10 DECDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)C1(O)CCC1 ZINC000929972221 694061246 /nfs/dbraw/zinc/06/12/46/694061246.db2.gz SDYOUJIYYLLBOU-QGZVFWFLSA-N 1 0 317.385 2.263 20 10 DECDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865684207 687300903 /nfs/dbraw/zinc/30/09/03/687300903.db2.gz QNRFWASYHTZOSY-UHFFFAOYSA-N 1 0 307.390 2.069 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCOCC(=O)OC(C)(C)C)cc1C ZINC000865684368 687301196 /nfs/dbraw/zinc/30/11/96/687301196.db2.gz VOODVHBHFDPGOT-UHFFFAOYSA-N 1 0 309.406 2.457 20 10 DECDRO Cc1cc(O)c(C[NH2+]C2CN(c3ccncn3)C2)c(Cl)c1 ZINC000865747406 687321188 /nfs/dbraw/zinc/32/11/88/687321188.db2.gz PRWOKTPCQVXCFU-UHFFFAOYSA-N 1 0 304.781 2.122 20 10 DECDRO CC(C)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000866155953 687470348 /nfs/dbraw/zinc/47/03/48/687470348.db2.gz CGOQFODSQAIFJJ-QGZVFWFLSA-N 1 0 318.465 2.234 20 10 DECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000866418120 687566435 /nfs/dbraw/zinc/56/64/35/687566435.db2.gz DZCJOWDLHHUYLP-MJEQTWJJSA-N 1 0 308.397 2.226 20 10 DECDRO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Cl)cc1O ZINC000866496698 687591460 /nfs/dbraw/zinc/59/14/60/687591460.db2.gz VPTVQALACRYMQQ-SNVBAGLBSA-N 1 0 304.781 2.375 20 10 DECDRO COc1ccc(N(CC2CC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000866673060 687648813 /nfs/dbraw/zinc/64/88/13/687648813.db2.gz VYVLHAJRHWUDDV-QGZVFWFLSA-N 1 0 302.418 2.433 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1O ZINC000868282465 687968758 /nfs/dbraw/zinc/96/87/58/687968758.db2.gz BWBCQFXCAJHUSI-OCCSQVGLSA-N 1 0 303.406 2.237 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868363177 687990908 /nfs/dbraw/zinc/99/09/08/687990908.db2.gz KCICWJUCIUBDQQ-ZIAGYGMSSA-N 1 0 305.422 2.483 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1O ZINC000868397340 688001781 /nfs/dbraw/zinc/00/17/81/688001781.db2.gz SBEPHIBJOJPEBP-LALPHHSUSA-N 1 0 303.406 2.235 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc[nH]c3)C2)cc1C ZINC001020184413 688481047 /nfs/dbraw/zinc/48/10/47/688481047.db2.gz DASKYNIVNYYDRK-WKILWMFISA-N 1 0 313.401 2.382 20 10 DECDRO CC[NH+](CC)CCSCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203126 688748811 /nfs/dbraw/zinc/74/88/11/688748811.db2.gz UEHRZXXVEUBPPG-UHFFFAOYSA-N 1 0 308.447 2.309 20 10 DECDRO C[C@@](O)(C[C@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000872201968 688951021 /nfs/dbraw/zinc/95/10/21/688951021.db2.gz OOGYBZQJJPXKRW-GXTWGEPZSA-N 1 0 316.492 2.127 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1C ZINC000873034975 689145260 /nfs/dbraw/zinc/14/52/60/689145260.db2.gz AVUHFLCKANTZEA-UHFFFAOYSA-N 1 0 300.358 2.036 20 10 DECDRO CCCOc1ccc(C[NH2+]CCN2CCC(O)CC2)cc1C ZINC000873129418 689165369 /nfs/dbraw/zinc/16/53/69/689165369.db2.gz LQVWWDJYIDSWOW-UHFFFAOYSA-N 1 0 306.450 2.330 20 10 DECDRO COc1ccc(C[NH2+]C(C)(C)CN(C)C)cc1Cn1cccn1 ZINC000873130200 689166086 /nfs/dbraw/zinc/16/60/86/689166086.db2.gz AKXVIFXVPZLZAR-UHFFFAOYSA-N 1 0 316.449 2.370 20 10 DECDRO C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH2+]CC1 ZINC000873222369 689187128 /nfs/dbraw/zinc/18/71/28/689187128.db2.gz PCPJQJGQWBCIFC-VIFPVBQESA-N 1 0 313.785 2.432 20 10 DECDRO CN(C)c1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000873228642 689189146 /nfs/dbraw/zinc/18/91/46/689189146.db2.gz VDYUOWQJSRNSDL-JSGCOSHPSA-N 1 0 301.356 2.322 20 10 DECDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825554 689500671 /nfs/dbraw/zinc/50/06/71/689500671.db2.gz PZVJXPLQDXNALI-ZIAGYGMSSA-N 1 0 315.377 2.158 20 10 DECDRO CCC[NH+]1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875313338 689604513 /nfs/dbraw/zinc/60/45/13/689604513.db2.gz BIJQTDRKJHMLOU-UHFFFAOYSA-N 1 0 303.406 2.292 20 10 DECDRO CCC[C@@H](OCC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505909 689841818 /nfs/dbraw/zinc/84/18/18/689841818.db2.gz CKWMPCSAINWZPY-HZPDHXFCSA-N 1 0 307.438 2.074 20 10 DECDRO CCN(CC)C(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876577383 689863599 /nfs/dbraw/zinc/86/35/99/689863599.db2.gz XJSANMLEZLZPIE-UHFFFAOYSA-N 1 0 305.422 2.280 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876728118 689917548 /nfs/dbraw/zinc/91/75/48/689917548.db2.gz GFPZBCOCKZIESU-GDBMZVCRSA-N 1 0 307.413 2.097 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)ccc21 ZINC000876739539 689923125 /nfs/dbraw/zinc/92/31/25/689923125.db2.gz JOQXFDJHMQTGQJ-HOCLYGCPSA-N 1 0 301.434 2.059 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931146280 694327430 /nfs/dbraw/zinc/32/74/30/694327430.db2.gz BXGAMNCCUQSICJ-MRXNPFEDSA-N 1 0 307.413 2.381 20 10 DECDRO CCOC1CC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000876964379 689983990 /nfs/dbraw/zinc/98/39/90/689983990.db2.gz ZAZYVELBBNVOPT-UHFFFAOYSA-N 1 0 304.434 2.428 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 ZINC000876986668 689991022 /nfs/dbraw/zinc/99/10/22/689991022.db2.gz IFXPCLQUVBVDJB-FUHWJXTLSA-N 1 0 304.434 2.210 20 10 DECDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1 ZINC000877009229 689996576 /nfs/dbraw/zinc/99/65/76/689996576.db2.gz JQBGTXXAJXVQMO-QGZVFWFLSA-N 1 0 312.413 2.490 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCc3ccncc3)cc2)CC1 ZINC000877089355 690016043 /nfs/dbraw/zinc/01/60/43/690016043.db2.gz IUZBCQJDNZVJBS-UHFFFAOYSA-N 1 0 311.429 2.375 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000877282446 690065523 /nfs/dbraw/zinc/06/55/23/690065523.db2.gz LXLPGTTZVHGGTH-SJORKVTESA-N 1 0 324.428 2.456 20 10 DECDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877405233 690104279 /nfs/dbraw/zinc/10/42/79/690104279.db2.gz FMWMGFAVUHDZSA-JKSUJKDBSA-N 1 0 317.477 2.172 20 10 DECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)O1 ZINC000877578451 690157580 /nfs/dbraw/zinc/15/75/80/690157580.db2.gz FDAFJPPDBKTNOR-KBXCAEBGSA-N 1 0 304.434 2.305 20 10 DECDRO OCC1(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877615298 690168375 /nfs/dbraw/zinc/16/83/75/690168375.db2.gz TVMMUXRHQMKUKI-UHFFFAOYSA-N 1 0 318.461 2.290 20 10 DECDRO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000877674265 690186118 /nfs/dbraw/zinc/18/61/18/690186118.db2.gz LVGMBBJRULZEES-OAHLLOKOSA-N 1 0 307.413 2.382 20 10 DECDRO C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)CCC1(C)C ZINC000877700859 690196533 /nfs/dbraw/zinc/19/65/33/690196533.db2.gz FYOFDBKTMQBFHF-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877778106 690224806 /nfs/dbraw/zinc/22/48/06/690224806.db2.gz KBRLQBWTULMKCD-GDBMZVCRSA-N 1 0 306.450 2.287 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1O ZINC000883310039 691479853 /nfs/dbraw/zinc/47/98/53/691479853.db2.gz ZCQAVLWQPGHKKF-NWDGAFQWSA-N 1 0 313.419 2.019 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000883374473 691492416 /nfs/dbraw/zinc/49/24/16/691492416.db2.gz DNLRFBZRKDIHMJ-FBIMIBRVSA-N 1 0 303.811 2.272 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394957 691496284 /nfs/dbraw/zinc/49/62/84/691496284.db2.gz KLSIBTHPAAZNTB-AAEUAGOBSA-N 1 0 304.390 2.062 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000883581782 691544643 /nfs/dbraw/zinc/54/46/43/691544643.db2.gz GFQWQBMPWZGICC-XJKSGUPXSA-N 1 0 304.438 2.207 20 10 DECDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315510 691708025 /nfs/dbraw/zinc/70/80/25/691708025.db2.gz QZJRBVGQRPVMCV-HNNXBMFYSA-N 1 0 302.418 2.133 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886257846 692036979 /nfs/dbraw/zinc/03/69/79/692036979.db2.gz NMDBHVRKXINKIJ-VBUUOAMHSA-N 1 0 306.450 2.287 20 10 DECDRO C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CN1CC[NH+](C)CC1 ZINC000886522269 692100803 /nfs/dbraw/zinc/10/08/03/692100803.db2.gz GFFSPFVFDLDVMX-KGLIPLIRSA-N 1 0 309.429 2.065 20 10 DECDRO CCC1(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889662519 692756395 /nfs/dbraw/zinc/75/63/95/692756395.db2.gz GWCGXAPGXQWZNH-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000894093330 692978043 /nfs/dbraw/zinc/97/80/43/692978043.db2.gz DFHWKQRKFWUVAG-HIFRSBDPSA-N 1 0 318.417 2.200 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cn(C)cn1 ZINC000924748993 693180784 /nfs/dbraw/zinc/18/07/84/693180784.db2.gz DDIGVULMSYABBO-AWEZNQCLSA-N 1 0 300.406 2.108 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2CC[N@@H+]2C)C2CC2)cc1 ZINC000925403653 693267481 /nfs/dbraw/zinc/26/74/81/693267481.db2.gz NIXVMEMHRGZZOL-QGZVFWFLSA-N 1 0 316.449 2.131 20 10 DECDRO COc1ccc(O)c([C@@H](C)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791635 693342976 /nfs/dbraw/zinc/34/29/76/693342976.db2.gz MKQHDWRZSRZDRE-ZIAGYGMSSA-N 1 0 320.433 2.210 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(OC)CC3)C2)cc1 ZINC000926611538 693478321 /nfs/dbraw/zinc/47/83/21/693478321.db2.gz MFZMANFAWVLQHQ-OAHLLOKOSA-N 1 0 319.449 2.137 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CN4C[C@@H]3CCC4)C2)cc1 ZINC000926611493 693478469 /nfs/dbraw/zinc/47/84/69/693478469.db2.gz LUHAVHNOCNOUDO-JTDSTZFVSA-N 1 0 315.461 2.205 20 10 DECDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926723868 693500305 /nfs/dbraw/zinc/50/03/05/693500305.db2.gz GMJWUBFCFVPVIR-GJZGRUSLSA-N 1 0 318.461 2.408 20 10 DECDRO CC(C)([NH3+])CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001334241325 1150244063 /nfs/dbraw/zinc/24/40/63/1150244063.db2.gz MSMDOTGWBAFZAH-UHFFFAOYSA-N 1 0 305.422 2.198 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])c1ccc(N(C)C)cc1 ZINC001335556300 1150453091 /nfs/dbraw/zinc/45/30/91/1150453091.db2.gz JEFIXFPFDRCGCV-DHSIGJKJSA-N 1 0 316.449 2.336 20 10 DECDRO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c(C)n1-c1ccccn1 ZINC001343233259 1150717851 /nfs/dbraw/zinc/71/78/51/1150717851.db2.gz JMERUIZRLZMADN-KXBFYZLASA-N 1 0 324.428 2.361 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC001346202821 1150951012 /nfs/dbraw/zinc/95/10/12/1150951012.db2.gz AZWMOEQFYKPGSL-CVEARBPZSA-N 1 0 318.465 2.459 20 10 DECDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC001348611864 1151175497 /nfs/dbraw/zinc/17/54/97/1151175497.db2.gz LSTCIOFAELBCKW-ZDUSSCGKSA-N 1 0 323.437 2.320 20 10 DECDRO CC[N@H+](C)[C@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001350299744 1151341942 /nfs/dbraw/zinc/34/19/42/1151341942.db2.gz HZAQZLGBRVFCQA-INIZCTEOSA-N 1 0 314.385 2.407 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1(O)CCC1 ZINC001356544729 1152088730 /nfs/dbraw/zinc/08/87/30/1152088730.db2.gz JDUWJGFTBXVKHW-QGZVFWFLSA-N 1 0 304.434 2.042 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCn1cc(CO)nn1 ZINC001347341671 1151057486 /nfs/dbraw/zinc/05/74/86/1151057486.db2.gz SBJODZBMYMXMKS-JSGCOSHPSA-N 1 0 316.405 2.013 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccoc2)cc1C ZINC001126147120 778531500 /nfs/dbraw/zinc/53/15/00/778531500.db2.gz FYKOWEMMJYJOGU-UHFFFAOYSA-N 1 0 302.374 2.045 20 10 DECDRO CCOC(=O)c1c(CN2CCC[NH2+]CC2)c2ccccc2n1C ZINC001204674742 778737443 /nfs/dbraw/zinc/73/74/43/778737443.db2.gz BXNJVQROGSQEBY-UHFFFAOYSA-N 1 0 315.417 2.150 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3CCO[C@@H](C)C3)CC2)c(OC)c1 ZINC001168142374 780228541 /nfs/dbraw/zinc/22/85/41/780228541.db2.gz KYRTUVUZXIWAEF-LSDHHAIUSA-N 1 0 320.433 2.393 20 10 DECDRO CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623399 781329902 /nfs/dbraw/zinc/32/99/02/781329902.db2.gz ULBDVZUUEZYZPT-GXTWGEPZSA-N 1 0 315.377 2.015 20 10 DECDRO Oc1cc(O)c(C[NH+]2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001144515013 790942410 /nfs/dbraw/zinc/94/24/10/790942410.db2.gz BGUHIRNEENHXDA-UHFFFAOYSA-N 1 0 303.330 2.130 20 10 DECDRO Cc1nc(-c2cccnc2)cc(N(CC[NH3+])c2cccnc2)n1 ZINC001168834466 784934737 /nfs/dbraw/zinc/93/47/37/784934737.db2.gz LBIMKFHFGLTVGG-UHFFFAOYSA-N 1 0 306.373 2.339 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCO[C@H]2C)cc1C ZINC001169239326 785107810 /nfs/dbraw/zinc/10/78/10/785107810.db2.gz VONPCVHBFRUCMZ-HOCLYGCPSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCO[C@@H]2C)cc1C ZINC001169239327 785107898 /nfs/dbraw/zinc/10/78/98/785107898.db2.gz VONPCVHBFRUCMZ-ZBFHGGJFSA-N 1 0 320.433 2.025 20 10 DECDRO CN1CCc2cc(N3CCCc4ccc(C[NH3+])nc43)ccc2C1=O ZINC001169590967 785252268 /nfs/dbraw/zinc/25/22/68/785252268.db2.gz QKZMXJRRQVZPJX-UHFFFAOYSA-N 1 0 322.412 2.253 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671190 785503688 /nfs/dbraw/zinc/50/36/88/785503688.db2.gz IBUFLKOEEUCUMR-CQSZACIVSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)c(O)c1OC ZINC001333737878 1150084891 /nfs/dbraw/zinc/08/48/91/1150084891.db2.gz RNKBNRRQMGOJDF-RHSMWYFYSA-N 1 0 309.406 2.440 20 10 DECDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000217855668 789334182 /nfs/dbraw/zinc/33/41/82/789334182.db2.gz VOWSXSQFJLEOBR-LBPRGKRZSA-N 1 0 320.252 2.358 20 10 DECDRO CC(C)CN(C(=O)c1cccc(O)c1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001148224646 791715090 /nfs/dbraw/zinc/71/50/90/791715090.db2.gz RKWIJBRGYFJPHG-JOCQHMNTSA-N 1 0 306.406 2.466 20 10 DECDRO C[N@H+](Cc1ccccc1O)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718546 793183026 /nfs/dbraw/zinc/18/30/26/793183026.db2.gz WIXXHUPTCXXOAO-ZDUSSCGKSA-N 1 0 320.389 2.360 20 10 DECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172143282 793327470 /nfs/dbraw/zinc/32/74/70/793327470.db2.gz ROYVEZFEDOUQKX-YQQQUEKLSA-N 1 0 317.477 2.436 20 10 DECDRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)c(O)c1 ZINC001173747433 793834870 /nfs/dbraw/zinc/83/48/70/793834870.db2.gz BRJDRKISQRLREK-KBPBESRZSA-N 1 0 301.394 2.269 20 10 DECDRO C[NH+](C)CCNC(=O)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001175810512 794298781 /nfs/dbraw/zinc/29/87/81/794298781.db2.gz VYRKBKUCDTVNFA-UHFFFAOYSA-N 1 0 315.373 2.133 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]C/C=C/Cl)cc1 ZINC001177237502 794614915 /nfs/dbraw/zinc/61/49/15/794614915.db2.gz BVMXRXODLXZPQC-YHZYDPNFSA-N 1 0 323.784 2.311 20 10 DECDRO CC[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N(C)C)cc1 ZINC001116350897 794951603 /nfs/dbraw/zinc/95/16/03/794951603.db2.gz QCDCYKMNAXJZDZ-IBGZPJMESA-N 1 0 319.493 2.498 20 10 DECDRO CC1(C)CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1CCO ZINC001116723976 794981229 /nfs/dbraw/zinc/98/12/29/794981229.db2.gz FKGKYWMLELTVTD-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001179603027 795142172 /nfs/dbraw/zinc/14/21/72/795142172.db2.gz QZSATZYPJLDMRW-WVJCCSTMSA-N 1 0 302.418 2.241 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689341 795154029 /nfs/dbraw/zinc/15/40/29/795154029.db2.gz LPYFDOPWWXZPRV-DBSLZISTSA-N 1 0 304.390 2.100 20 10 DECDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001179729920 795165667 /nfs/dbraw/zinc/16/56/67/795165667.db2.gz QBBUZLIDLRLEMR-AWEZNQCLSA-N 1 0 323.456 2.074 20 10 DECDRO [NH3+][C@H]1C[C@H](F)CN(Cc2c(O)cccc2Br)C1 ZINC001206423708 795331542 /nfs/dbraw/zinc/33/15/42/795331542.db2.gz LOMUKPKWBSKEEZ-IUCAKERBSA-N 1 0 303.175 2.026 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@@H]2COCCC2(OC)OC)cc1 ZINC001119826694 795361044 /nfs/dbraw/zinc/36/10/44/795361044.db2.gz RBKNLXKKQOECIT-MRXNPFEDSA-N 1 0 308.422 2.010 20 10 DECDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204279291 795368823 /nfs/dbraw/zinc/36/88/23/795368823.db2.gz VZKLIVPMRQTIMR-LBPRGKRZSA-N 1 0 322.405 2.444 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001180977419 795401052 /nfs/dbraw/zinc/40/10/52/795401052.db2.gz OSYXNTDCJJXFRB-SJLPKXTDSA-N 1 0 323.433 2.426 20 10 DECDRO Cc1nsc(N2CCC[N@H+](Cc3ccc(N)cc3)CC2)n1 ZINC001120263985 795431444 /nfs/dbraw/zinc/43/14/44/795431444.db2.gz YWVDTIZAAQBRGO-UHFFFAOYSA-N 1 0 303.435 2.141 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH3+])CC1 ZINC001120577454 795489798 /nfs/dbraw/zinc/48/97/98/795489798.db2.gz AKOLKMYJZMVUNH-UHFFFAOYSA-N 1 0 304.438 2.164 20 10 DECDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N)cc1 ZINC001120584796 795491222 /nfs/dbraw/zinc/49/12/22/795491222.db2.gz UZVPGEQNZOAUAT-INIZCTEOSA-N 1 0 304.438 2.141 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001120598870 795495114 /nfs/dbraw/zinc/49/51/14/795495114.db2.gz GMZKOOXEBWRJGL-HUUCEWRRSA-N 1 0 318.465 2.187 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155804 795615834 /nfs/dbraw/zinc/61/58/34/795615834.db2.gz QVFGYJMUJZFPSM-CQSZACIVSA-N 1 0 320.433 2.411 20 10 DECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001183093768 795805164 /nfs/dbraw/zinc/80/51/64/795805164.db2.gz FDJUGESHTLSTEM-CYBMUJFWSA-N 1 0 311.813 2.233 20 10 DECDRO C[NH+](C)CCCCC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001184058135 795986269 /nfs/dbraw/zinc/98/62/69/795986269.db2.gz BNZNOMKRGUUIKJ-UHFFFAOYSA-N 1 0 306.406 2.105 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)OCC(C)C)cc1C ZINC001124330189 796057126 /nfs/dbraw/zinc/05/71/26/796057126.db2.gz BXLOCCNAKVCYMY-OAHLLOKOSA-N 1 0 322.449 2.271 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c2ccccc2n1C ZINC001138252598 796188262 /nfs/dbraw/zinc/18/82/62/796188262.db2.gz MXZCFPWJKXEFQS-ROUUACIJSA-N 1 0 302.418 2.052 20 10 DECDRO C[C@]1(O)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338324 796198714 /nfs/dbraw/zinc/19/87/14/796198714.db2.gz ODYKDSVSPIXRQY-SFHVURJKSA-N 1 0 302.418 2.048 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001138387357 796209363 /nfs/dbraw/zinc/20/93/63/796209363.db2.gz CNSIBANPXJLHIK-OAHLLOKOSA-N 1 0 319.449 2.239 20 10 DECDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140063079 796472327 /nfs/dbraw/zinc/47/23/27/796472327.db2.gz JUYURDHYHXEMCW-UHFFFAOYSA-N 1 0 306.381 2.366 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140180143 796487679 /nfs/dbraw/zinc/48/76/79/796487679.db2.gz TUJMFJKRFNJNSQ-AWEZNQCLSA-N 1 0 319.401 2.353 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCS1 ZINC001140184595 796487698 /nfs/dbraw/zinc/48/76/98/796487698.db2.gz AXEWJWPOZLCNAY-CQSZACIVSA-N 1 0 309.431 2.490 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCCC4(COC4)C3)cc2)CC1 ZINC001140283607 796501524 /nfs/dbraw/zinc/50/15/24/796501524.db2.gz XUZPBVBHOTVKHR-UHFFFAOYSA-N 1 0 316.445 2.260 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@]1(C)O ZINC001140282901 796501869 /nfs/dbraw/zinc/50/18/69/796501869.db2.gz JZIJRDGFBHKOLR-DNVCBOLYSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1 ZINC001140620824 796546891 /nfs/dbraw/zinc/54/68/91/796546891.db2.gz CRDOPGLUKZXLLV-NVXWUHKLSA-N 1 0 324.428 2.449 20 10 DECDRO COc1cc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)ccn1 ZINC001140624383 796547083 /nfs/dbraw/zinc/54/70/83/796547083.db2.gz UPFCFSQIABZFNM-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140621448 796547128 /nfs/dbraw/zinc/54/71/28/796547128.db2.gz KCAOIZLAUUICNI-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1CN1CCCCC12COC2 ZINC001140661493 796552613 /nfs/dbraw/zinc/55/26/13/796552613.db2.gz GTSGKPTXFYISSI-UHFFFAOYSA-N 1 0 320.408 2.417 20 10 DECDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140745384 796566402 /nfs/dbraw/zinc/56/64/02/796566402.db2.gz HUVLJCXSCOPNNO-AWEZNQCLSA-N 1 0 306.406 2.287 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC001140746448 796566716 /nfs/dbraw/zinc/56/67/16/796566716.db2.gz ZUJNHYLOVRRWHJ-HNNXBMFYSA-N 1 0 318.417 2.241 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001140748896 796567710 /nfs/dbraw/zinc/56/77/10/796567710.db2.gz TYJUVWXFBASMPZ-ZMSDIMECSA-N 1 0 319.401 2.032 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](F)(C(=O)OC)C2)c(O)c1 ZINC001140850959 796584029 /nfs/dbraw/zinc/58/40/29/796584029.db2.gz XARQUSOWOXDGQZ-QGZVFWFLSA-N 1 0 324.396 2.325 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(O)c1 ZINC001140855807 796584213 /nfs/dbraw/zinc/58/42/13/796584213.db2.gz KTSZPGCZJWKXPX-QLPKVWCKSA-N 1 0 318.417 2.089 20 10 DECDRO Cc1ncc(CO)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC001140871073 796588056 /nfs/dbraw/zinc/58/80/56/796588056.db2.gz NDKOUJZZGTXMEL-UHFFFAOYSA-N 1 0 315.417 2.286 20 10 DECDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140948204 796605167 /nfs/dbraw/zinc/60/51/67/796605167.db2.gz YCVBYOZCYGCCOI-SJLPKXTDSA-N 1 0 319.401 2.245 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(OC)c1 ZINC001141031367 796621220 /nfs/dbraw/zinc/62/12/20/796621220.db2.gz DOANERGYOZIBMG-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(CN2CC([NH+]3CCCCC3)C2)c(OC)c1 ZINC001141029475 796621281 /nfs/dbraw/zinc/62/12/81/796621281.db2.gz TXBFWALDIYKICA-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(OC)c1 ZINC001141029661 796621542 /nfs/dbraw/zinc/62/15/42/796621542.db2.gz YUBLCUGVACFZRP-LLVKDONJSA-N 1 0 319.361 2.090 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)ccc21 ZINC001141140172 796638254 /nfs/dbraw/zinc/63/82/54/796638254.db2.gz IWIGKGNMYADJRI-CQSZACIVSA-N 1 0 316.323 2.014 20 10 DECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143651 796638887 /nfs/dbraw/zinc/63/88/87/796638887.db2.gz DXZPVLTVOOGTTD-AWEZNQCLSA-N 1 0 304.390 2.043 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CC(C)(C)C[C@]3(C)CO)ccc21 ZINC001141140542 796638919 /nfs/dbraw/zinc/63/89/19/796638919.db2.gz NRIUBQGQOYTLRF-GOSISDBHSA-N 1 0 304.434 2.498 20 10 DECDRO CN1CCOc2cc(CN3CC[NH+](CC4CC4)CC3)ccc21 ZINC001141143082 796639009 /nfs/dbraw/zinc/63/90/09/796639009.db2.gz MKBJLFOYPDLOHJ-UHFFFAOYSA-N 1 0 301.434 2.043 20 10 DECDRO CN1CCOc2cc(CN3C[C@H]4CCC[N@H+](C)[C@@H]4C3)ccc21 ZINC001141145741 796640162 /nfs/dbraw/zinc/64/01/62/796640162.db2.gz ZBNOZEUKBPEARM-NVXWUHKLSA-N 1 0 301.434 2.041 20 10 DECDRO Cc1ccnc(OC2CC[NH+](Cc3cc(O)ccc3O)CC2)n1 ZINC001141163320 796643664 /nfs/dbraw/zinc/64/36/64/796643664.db2.gz ZQDMGHCARRGDOW-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO Cc1cnc(OC2CC[NH+](Cc3cc(O)ccc3O)CC2)nc1 ZINC001141163092 796643961 /nfs/dbraw/zinc/64/39/61/796643961.db2.gz OQBAOIBZYKSPQB-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c1 ZINC001203680906 796656195 /nfs/dbraw/zinc/65/61/95/796656195.db2.gz IYRJKEDAWWUZRT-UHFFFAOYSA-N 1 0 320.433 2.480 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CC2CCCC2)cc1 ZINC001153037200 797273697 /nfs/dbraw/zinc/27/36/97/797273697.db2.gz GWLDFAUSGGZRNC-UHFFFAOYSA-N 1 0 317.393 2.359 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C2=COCCC2)cc1C ZINC001155608721 797804487 /nfs/dbraw/zinc/80/44/87/797804487.db2.gz YAPWDYINHUHGLA-UHFFFAOYSA-N 1 0 318.417 2.294 20 10 DECDRO CCc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC001156656882 798056180 /nfs/dbraw/zinc/05/61/80/798056180.db2.gz AKMLWNQFJKKTNJ-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO O=C([C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1)N1CCCCC1 ZINC001203879416 798198475 /nfs/dbraw/zinc/19/84/75/798198475.db2.gz QLFRNZGQBTUHBP-HNNXBMFYSA-N 1 0 318.417 2.322 20 10 DECDRO CCC[N@H+](Cc1ccc(O)c(O)c1)C1CCN(C(C)=O)CC1 ZINC001203879836 798204775 /nfs/dbraw/zinc/20/47/75/798204775.db2.gz JDVWIMHNKXFPOF-UHFFFAOYSA-N 1 0 306.406 2.321 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)cc1 ZINC001203937203 798499438 /nfs/dbraw/zinc/49/94/38/798499438.db2.gz RHEAOLIOOVCLEN-WBVHZDCISA-N 1 0 301.434 2.195 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(NC3=CC[NH2+]CC3)c(O)cc21 ZINC001159649359 798592668 /nfs/dbraw/zinc/59/26/68/798592668.db2.gz PZDSQHDNDGOIGM-UHFFFAOYSA-N 1 0 320.348 2.457 20 10 DECDRO CCOCc1cc(C[NH2+]CCN2CCO[C@@H](C)C2)ccc1OC ZINC001200257391 798603070 /nfs/dbraw/zinc/60/30/70/798603070.db2.gz YQSYCIVSIIKBCR-HNNXBMFYSA-N 1 0 322.449 2.042 20 10 DECDRO [NH3+]Cc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC001160012399 798639707 /nfs/dbraw/zinc/63/97/07/798639707.db2.gz MVJKMUHGHBSCAY-UHFFFAOYSA-N 1 0 309.167 2.016 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H](C)CO2)cc1C ZINC001162851271 799189238 /nfs/dbraw/zinc/18/92/38/799189238.db2.gz NHMVMHCBROCAGP-SUMWQHHRSA-N 1 0 320.433 2.025 20 10 DECDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560892 800080347 /nfs/dbraw/zinc/08/03/47/800080347.db2.gz JOKVZVHSKGWSRB-UHFFFAOYSA-N 1 0 305.422 2.408 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560839 800081223 /nfs/dbraw/zinc/08/12/23/800081223.db2.gz HJDUVUSURBDXDM-UONOGXRCSA-N 1 0 304.390 2.443 20 10 DECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203597050 800086297 /nfs/dbraw/zinc/08/62/97/800086297.db2.gz TUAJJRXZWWZGMJ-YUTCNCBUSA-N 1 0 305.374 2.174 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001203635194 800097590 /nfs/dbraw/zinc/09/75/90/800097590.db2.gz OEXRPKYLGYZLQI-HNNXBMFYSA-N 1 0 315.373 2.234 20 10 DECDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC001203657290 800101233 /nfs/dbraw/zinc/10/12/33/800101233.db2.gz CHWNAIIOVDCIDZ-NHAGDIPZSA-N 1 0 308.809 2.248 20 10 DECDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203883327 800139820 /nfs/dbraw/zinc/13/98/20/800139820.db2.gz IHJDNJDDHZIWKC-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203932730 800147910 /nfs/dbraw/zinc/14/79/10/800147910.db2.gz BBQDJRMUDHGZJG-INIZCTEOSA-N 1 0 318.417 2.097 20 10 DECDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC001204038631 800162784 /nfs/dbraw/zinc/16/27/84/800162784.db2.gz NUDGBFQIOYQPRR-AWEZNQCLSA-N 1 0 309.797 2.219 20 10 DECDRO CN(C)c1cc(F)c(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC001204087799 800171666 /nfs/dbraw/zinc/17/16/66/800171666.db2.gz CHUNSIGZHXGXON-NORZTCDRSA-N 1 0 309.404 2.461 20 10 DECDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204273704 800197802 /nfs/dbraw/zinc/19/78/02/800197802.db2.gz FWWOBMIDRDKMKO-SFHVURJKSA-N 1 0 318.417 2.465 20 10 DECDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001204278118 800199095 /nfs/dbraw/zinc/19/90/95/800199095.db2.gz UPKAEIYNTWEVGH-UHFFFAOYSA-N 1 0 318.417 2.321 20 10 DECDRO CC(C)(C)OC(=O)NCC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204276101 800199333 /nfs/dbraw/zinc/19/93/33/800199333.db2.gz GRVXKGNXJVLTMZ-UHFFFAOYSA-N 1 0 308.378 2.054 20 10 DECDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC001204323823 800204850 /nfs/dbraw/zinc/20/48/50/800204850.db2.gz JHRBBNBPWHLNFB-QXAKKESOSA-N 1 0 316.445 2.259 20 10 DECDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1O ZINC001205414552 800354985 /nfs/dbraw/zinc/35/49/85/800354985.db2.gz JMDYRSFFUGSYAQ-GFCCVEGCSA-N 1 0 312.841 2.323 20 10 DECDRO C[N@H+](CCCC1OCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC001209311395 801169249 /nfs/dbraw/zinc/16/92/49/801169249.db2.gz AYZUYGZZGLIFBP-UHFFFAOYSA-N 1 0 320.433 2.108 20 10 DECDRO COc1ccc(O)c(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001210311658 801374235 /nfs/dbraw/zinc/37/42/35/801374235.db2.gz MFDVOAMUTHJODB-QGZVFWFLSA-N 1 0 312.413 2.417 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H](F)C2)c(OC)c1 ZINC001210579825 801425247 /nfs/dbraw/zinc/42/52/47/801425247.db2.gz AZBTUGIFYXECLP-OAHLLOKOSA-N 1 0 309.429 2.285 20 10 DECDRO COC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1O ZINC001231420299 801664649 /nfs/dbraw/zinc/66/46/49/801664649.db2.gz SLHYYJHHNANJEH-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C)c2O)C1 ZINC001231592290 801691997 /nfs/dbraw/zinc/69/19/97/801691997.db2.gz GHXFYAQHIHNYSD-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c(O)cc1O ZINC001231636042 801699829 /nfs/dbraw/zinc/69/98/29/801699829.db2.gz JPZWDRZKDAOGSU-UHFFFAOYSA-N 1 0 306.406 2.167 20 10 DECDRO Cc1cc(C)c(CN2CCN(C(=O)C(F)(F)F)CC2)c(O)c1 ZINC001231841344 801736050 /nfs/dbraw/zinc/73/60/50/801736050.db2.gz AOGLXDLKERKCBV-UHFFFAOYSA-N 1 0 316.323 2.216 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268406 801833720 /nfs/dbraw/zinc/83/37/20/801833720.db2.gz OZXBEBUNDCYTBK-ONGXEEELSA-N 1 0 313.781 2.382 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840059 801969689 /nfs/dbraw/zinc/96/96/89/801969689.db2.gz LKCXOBUZZKXBSC-TZMCWYRMSA-N 1 0 306.406 2.089 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001232838190 801969755 /nfs/dbraw/zinc/96/97/55/801969755.db2.gz QRGMBNZCWWXHQO-GOSISDBHSA-N 1 0 317.433 2.093 20 10 DECDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c(O)c1 ZINC001232838947 801970047 /nfs/dbraw/zinc/97/00/47/801970047.db2.gz OJKYSQAMSWWIEB-UHFFFAOYSA-N 1 0 315.461 2.376 20 10 DECDRO COCCCC[NH+]1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232842076 801971101 /nfs/dbraw/zinc/97/11/01/801971101.db2.gz ZBSXGKLQJAFTDV-UHFFFAOYSA-N 1 0 321.465 2.002 20 10 DECDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC001233080592 802023403 /nfs/dbraw/zinc/02/34/03/802023403.db2.gz XIKLSLSQBUNVAZ-ZDUSSCGKSA-N 1 0 314.376 2.213 20 10 DECDRO C[NH2+][C@H]1C[C@@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001217956355 802123440 /nfs/dbraw/zinc/12/34/40/802123440.db2.gz WUVMLODGAWVAQT-PHIMTYICSA-N 1 0 323.348 2.297 20 10 DECDRO Oc1cc(O)c(CN2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC001233484110 802127425 /nfs/dbraw/zinc/12/74/25/802127425.db2.gz YPXRYUFTTXWZAO-UHFFFAOYSA-N 1 0 314.385 2.121 20 10 DECDRO C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2c(O)cccc2C3=O)C[NH2+]1 ZINC001218044353 802136665 /nfs/dbraw/zinc/13/66/65/802136665.db2.gz AWGWEAKUKLJLHQ-MNOVXSKESA-N 1 0 323.348 2.297 20 10 DECDRO Cc1cc(O[C@H]2C[NH2+][C@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218384282 802175218 /nfs/dbraw/zinc/17/52/18/802175218.db2.gz IXAUGCAYYNPXLO-BONVTDFDSA-N 1 0 323.348 2.215 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC001219640557 802357554 /nfs/dbraw/zinc/35/75/54/802357554.db2.gz ABFIUZQUBDRZTO-IVRLUWICSA-N 1 0 301.434 2.128 20 10 DECDRO O=C(NCc1cc(Cl)c2cccnc2c1O)C1CC[NH2+]CC1 ZINC001220212814 802427088 /nfs/dbraw/zinc/42/70/88/802427088.db2.gz XLJYMYPZGJAVFV-UHFFFAOYSA-N 1 0 319.792 2.210 20 10 DECDRO CN(C)c1ccc(-c2nc(C(=O)NCCCC[NH3+])cs2)cc1 ZINC001221345727 802558317 /nfs/dbraw/zinc/55/83/17/802558317.db2.gz BVTLASHSKSONSR-UHFFFAOYSA-N 1 0 318.446 2.345 20 10 DECDRO CC(C)Cn1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1=O ZINC001222493671 802694911 /nfs/dbraw/zinc/69/49/11/802694911.db2.gz PIAUVGDBPWTRDA-UHFFFAOYSA-N 1 0 314.433 2.464 20 10 DECDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001334232837 1150240296 /nfs/dbraw/zinc/24/02/96/1150240296.db2.gz LZAKQKRQJBORID-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001335062598 1150371334 /nfs/dbraw/zinc/37/13/34/1150371334.db2.gz TTWVWHZUVYLTNU-KRWDZBQOSA-N 1 0 309.406 2.394 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)c2ccccc2)c(O)c1OC ZINC001342945914 1150632213 /nfs/dbraw/zinc/63/22/13/1150632213.db2.gz BEQYOXVINOFLHS-CQSZACIVSA-N 1 0 303.358 2.233 20 10 DECDRO 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CCOC(=O)[C@@H](F)C1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001659304068 1080236501 /nfs/dbraw/zinc/23/65/01/1080236501.db2.gz GDVUTPYNQLMEGS-HNNXBMFYSA-N 1 0 311.353 2.042 20 10 DECDRO CCC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266445080 1082042106 /nfs/dbraw/zinc/04/21/06/1082042106.db2.gz KFDSJNQPGXABDV-AWEZNQCLSA-N 1 0 317.393 2.357 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccncc2)cc1C ZINC001493462076 1082227555 /nfs/dbraw/zinc/22/75/55/1082227555.db2.gz YHFOLSUBBNFWEH-UHFFFAOYSA-N 1 0 313.401 2.260 20 10 DECDRO Cc1cc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)ccc1N(C)C ZINC001276929456 1083686156 /nfs/dbraw/zinc/68/61/56/1083686156.db2.gz XVNCWDCDPWVJBC-QAPCUYQASA-N 1 0 301.434 2.114 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277192785 1083839221 /nfs/dbraw/zinc/83/92/21/1083839221.db2.gz TTYGBGFPVJJLIQ-CRAIPNDOSA-N 1 0 318.417 2.178 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277656492 1084079462 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CC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001235773575 1084524068 /nfs/dbraw/zinc/52/40/68/1084524068.db2.gz OFSSZGFHIDOWGW-OAHLLOKOSA-N 1 0 323.868 2.360 20 10 DECDRO CCCC[C@@H]1CN(Cc2cc(OC)cc(OC)c2O)CC[NH2+]1 ZINC001236140791 1084619825 /nfs/dbraw/zinc/61/98/25/1084619825.db2.gz GWCHDKYJQBSJOS-CQSZACIVSA-N 1 0 308.422 2.373 20 10 DECDRO Oc1cccc(Br)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000707129954 1086659975 /nfs/dbraw/zinc/65/99/75/1086659975.db2.gz WAFSKNYXNVPJMX-NSHDSACASA-N 1 0 311.223 2.435 20 10 DECDRO CC(C)c1ccc(CN2C[C@@]3(F)C(=O)N(C)C[C@@]3(F)C2)c(O)c1 ZINC001274779498 1091410319 /nfs/dbraw/zinc/41/03/19/1091410319.db2.gz JGAHTZBNMZLDMR-IAGOWNOFSA-N 1 0 324.371 2.220 20 10 DECDRO Cc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1O ZINC001276080160 1091515054 /nfs/dbraw/zinc/51/50/54/1091515054.db2.gz JSXKOQGKRQPHFR-GOEBONIOSA-N 1 0 317.433 2.325 20 10 DECDRO O=C(Nc1cccnc1)N1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001275267095 1091644719 /nfs/dbraw/zinc/64/47/19/1091644719.db2.gz KDJHVBKQRABYFK-UHFFFAOYSA-N 1 0 324.384 2.137 20 10 DECDRO CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275267329 1091644913 /nfs/dbraw/zinc/64/49/13/1091644913.db2.gz LRCHJJZMJXJVNA-UHFFFAOYSA-N 1 0 317.433 2.408 20 10 DECDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1 ZINC001275267838 1091645159 /nfs/dbraw/zinc/64/51/59/1091645159.db2.gz YOYTVCBWWAPQFU-INIZCTEOSA-N 1 0 310.825 2.342 20 10 DECDRO Cc1cc(CN2CC3(C2)C[NH+](C)C3)c(O)cc1Br ZINC001250136567 1091874792 /nfs/dbraw/zinc/87/47/92/1091874792.db2.gz UTZUGJMJSZJJPJ-UHFFFAOYSA-N 1 0 311.223 2.211 20 10 DECDRO CN1CCO[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]21 ZINC001275798536 1092151390 /nfs/dbraw/zinc/15/13/90/1092151390.db2.gz HVINVHNRMLXDPE-HOTGVXAUSA-N 1 0 304.434 2.205 20 10 DECDRO C[NH2+]C[C@H]1CCCN1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001236421522 1138359895 /nfs/dbraw/zinc/35/98/95/1138359895.db2.gz JSELRDKYLABDGZ-CYBMUJFWSA-N 1 0 315.417 2.149 20 10 DECDRO CCc1ccc(C[N@H+]2Cc3cn(C)nc3[C@H](COC)C2)c(O)c1 ZINC001236787972 1138428254 /nfs/dbraw/zinc/42/82/54/1138428254.db2.gz XLEAMRNBNKIYPP-INIZCTEOSA-N 1 0 315.417 2.434 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)c1 ZINC001236789240 1138428836 /nfs/dbraw/zinc/42/88/36/1138428836.db2.gz TVHSRDVOFYNXHB-UHFFFAOYSA-N 1 0 302.418 2.399 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c(Cl)c1 ZINC001236806668 1138432827 /nfs/dbraw/zinc/43/28/27/1138432827.db2.gz YTSUTSROPIYETR-NSHDSACASA-N 1 0 324.808 2.251 20 10 DECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921046 1138456770 /nfs/dbraw/zinc/45/67/70/1138456770.db2.gz CKWCYUWDVWYNCR-BBRMVZONSA-N 1 0 324.852 2.379 20 10 DECDRO CC[C@@H]1COCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943056 1138462063 /nfs/dbraw/zinc/46/20/63/1138462063.db2.gz PIBRHCVRUZJEAP-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO OCCC[NH+]1CCN(Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237078340 1138500326 /nfs/dbraw/zinc/50/03/26/1138500326.db2.gz PVVSRIBXSYXQFP-UHFFFAOYSA-N 1 0 319.232 2.199 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC001237050474 1138489246 /nfs/dbraw/zinc/48/92/46/1138489246.db2.gz BTROXJVVOYYWDK-LLVKDONJSA-N 1 0 305.296 2.290 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCN1C ZINC001237059966 1138492318 /nfs/dbraw/zinc/49/23/18/1138492318.db2.gz RPPOPXRLXZPNOY-LLVKDONJSA-N 1 0 318.339 2.469 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120170 1138508041 /nfs/dbraw/zinc/50/80/41/1138508041.db2.gz NOAXQCPBCDXFPJ-JTQLQIEISA-N 1 0 305.296 2.495 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c(OC)c1 ZINC001237670545 1138747307 /nfs/dbraw/zinc/74/73/07/1138747307.db2.gz SULPOZRFJKOULP-LRDDRELGSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237676268 1138749939 /nfs/dbraw/zinc/74/99/39/1138749939.db2.gz MTGLMBGAPLDTOS-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237683736 1138756003 /nfs/dbraw/zinc/75/60/03/1138756003.db2.gz JTPYEOWTLLTUNC-LBPRGKRZSA-N 1 0 323.389 2.185 20 10 DECDRO COc1ncnc2c1CC[N@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238059844 1138819179 /nfs/dbraw/zinc/81/91/79/1138819179.db2.gz DYZUVGKUWMEDOS-UHFFFAOYSA-N 1 0 317.364 2.239 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1O ZINC001238061620 1138819411 /nfs/dbraw/zinc/81/94/11/1138819411.db2.gz PDXLFCFISKVUCG-QGZVFWFLSA-N 1 0 306.381 2.474 20 10 DECDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001319711958 1140679961 /nfs/dbraw/zinc/67/99/61/1140679961.db2.gz MSDRRBRFOLSCQF-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320968396 1141012454 /nfs/dbraw/zinc/01/24/54/1141012454.db2.gz ZDXDKQYHSXOIBD-RDTXWAMCSA-N 1 0 321.440 2.235 20 10 DECDRO COc1ccc(N2CCN([C@H]3CC[C@@H](C)[NH2+]C3)CC2)c(C)c1 ZINC001246936633 1141147460 /nfs/dbraw/zinc/14/74/60/1141147460.db2.gz WYJGKNRVTJHMIP-CVEARBPZSA-N 1 0 303.450 2.266 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c(O)c1 ZINC001249177618 1141857362 /nfs/dbraw/zinc/85/73/62/1141857362.db2.gz GCNDAJSYLNWFKA-SFHVURJKSA-N 1 0 321.417 2.091 20 10 DECDRO CCO[C@H]1CCC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249201055 1141858876 /nfs/dbraw/zinc/85/88/76/1141858876.db2.gz CCKSBSQUHOSHBC-HNNXBMFYSA-N 1 0 307.390 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](CCCCCO)C(C)C)c(O)c1 ZINC001249217898 1141860633 /nfs/dbraw/zinc/86/06/33/1141860633.db2.gz UNBWRHDMLZFABR-UHFFFAOYSA-N 1 0 323.433 2.481 20 10 DECDRO CNC(=O)CC[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244409 1141864043 /nfs/dbraw/zinc/86/40/43/1141864043.db2.gz FSKWDFNSUDFURB-UHFFFAOYSA-N 1 0 304.390 2.144 20 10 DECDRO [NH3+][C@H](Cc1nc(-c2cccn3ccnc23)no1)c1ccccc1O ZINC001249338411 1141876969 /nfs/dbraw/zinc/87/69/69/1141876969.db2.gz DMZVMQSNOXDDAO-CYBMUJFWSA-N 1 0 321.340 2.332 20 10 DECDRO COc1ccncc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249339747 1141877102 /nfs/dbraw/zinc/87/71/02/1141877102.db2.gz SGFRCFBYVVDQBP-GFCCVEGCSA-N 1 0 312.329 2.088 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]CCN1CCCOCC1 ZINC001324035827 1141971921 /nfs/dbraw/zinc/97/19/21/1141971921.db2.gz WQZJKDFYDBZCJU-UHFFFAOYSA-N 1 0 303.450 2.099 20 10 DECDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)c(O)cc1Br ZINC001250120487 1142084688 /nfs/dbraw/zinc/08/46/88/1142084688.db2.gz FTYMYHJFJRIMSL-MWLCHTKSSA-N 1 0 300.196 2.418 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(O)c1OC ZINC001336748655 1142557621 /nfs/dbraw/zinc/55/76/21/1142557621.db2.gz WAOPFKACOPWRLT-VUCTXSBTSA-N 1 0 319.401 2.457 20 10 DECDRO COc1ccc(N2CC[NH+](CC3(OC)CCC3)CC2)c(OC)c1 ZINC001336757652 1142561700 /nfs/dbraw/zinc/56/17/00/1142561700.db2.gz JXMDMYHZPMHAAT-UHFFFAOYSA-N 1 0 320.433 2.395 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC001336878679 1142610452 /nfs/dbraw/zinc/61/04/52/1142610452.db2.gz DNMPBWXBFJXCCE-IUODEOHRSA-N 1 0 304.438 2.111 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1O ZINC001337029595 1142664116 /nfs/dbraw/zinc/66/41/16/1142664116.db2.gz IXPJGHXSIQFNLP-RGYTYGDFSA-N 1 0 311.385 2.377 20 10 DECDRO Oc1cccc2c1C[N@H+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252285111 1142673718 /nfs/dbraw/zinc/67/37/18/1142673718.db2.gz UROQXPZEJUOMOU-QGZVFWFLSA-N 1 0 313.397 2.328 20 10 DECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337069977 1142675240 /nfs/dbraw/zinc/67/52/40/1142675240.db2.gz FCPZQZNPYXWNRP-HNNXBMFYSA-N 1 0 304.438 2.142 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1C ZINC001338310598 1142847202 /nfs/dbraw/zinc/84/72/02/1142847202.db2.gz RBYRWVBVEZNEPO-MRXNPFEDSA-N 1 0 305.418 2.372 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)CCSCCC[NH3+] ZINC001340095555 1143264954 /nfs/dbraw/zinc/26/49/54/1143264954.db2.gz YZBGAYUPXHFDFM-UHFFFAOYSA-N 1 0 309.479 2.149 20 10 DECDRO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)c1ccc(N)cc1 ZINC001340845966 1143464331 /nfs/dbraw/zinc/46/43/31/1143464331.db2.gz BCMZPGOEAYCLTM-CRAIPNDOSA-N 1 0 309.413 2.310 20 10 DECDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001255182575 1143473221 /nfs/dbraw/zinc/47/32/21/1143473221.db2.gz FZDXJIVXBQCMDU-BTTYYORXSA-N 1 0 320.389 2.339 20 10 DECDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001255194682 1143484270 /nfs/dbraw/zinc/48/42/70/1143484270.db2.gz MZGCCDOUYDRQKH-ZSOGYDGISA-N 1 0 320.389 2.339 20 10 DECDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC001255291983 1143549549 /nfs/dbraw/zinc/54/95/49/1143549549.db2.gz CIFLACSWMQCPLY-INIZCTEOSA-N 1 0 322.474 2.339 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1[NH2+]CC12CCCC2 ZINC001341400332 1143595062 /nfs/dbraw/zinc/59/50/62/1143595062.db2.gz BSGVPGHQRIDZQG-KRWDZBQOSA-N 1 0 314.429 2.419 20 10 DECDRO CCOc1ccc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c(O)c1 ZINC001341793487 1143708158 /nfs/dbraw/zinc/70/81/58/1143708158.db2.gz JMBZLTYZKQCVJS-UHFFFAOYSA-N 1 0 303.362 2.193 20 10 DECDRO O=C(CN[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(O)c(O)c1 ZINC001256904748 1143874381 /nfs/dbraw/zinc/87/43/81/1143874381.db2.gz MRHNEZLHSZHDDG-CQSZACIVSA-N 1 0 318.417 2.277 20 10 DECDRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001262558444 1144318807 /nfs/dbraw/zinc/31/88/07/1144318807.db2.gz GAXZTSBCQULJRJ-QGZVFWFLSA-N 1 0 306.450 2.288 20 10 DECDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)CC1 ZINC001262603765 1144322830 /nfs/dbraw/zinc/32/28/30/1144322830.db2.gz UNOPDDKOSHMNJY-MRXNPFEDSA-N 1 0 316.449 2.142 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C2(C3CC[NH2+]CC3)CC2)c1 ZINC001263112562 1144356949 /nfs/dbraw/zinc/35/69/49/1144356949.db2.gz KLZBXFLWEFAKFG-GFCCVEGCSA-N 1 0 318.417 2.358 20 10 DECDRO CCC[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(=O)OCC ZINC000387654837 1144511463 /nfs/dbraw/zinc/51/14/63/1144511463.db2.gz FIQGVPJPUMSTJI-MRXNPFEDSA-N 1 0 306.406 2.207 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001303225677 1147322378 /nfs/dbraw/zinc/32/23/78/1147322378.db2.gz MQVVGQCVFWTVMX-CYBMUJFWSA-N 1 0 318.417 2.369 20 10 DECDRO O[C@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308484495 1147474835 /nfs/dbraw/zinc/47/48/35/1147474835.db2.gz RRJFIJKWUHQKDG-QUCCMNQESA-N 1 0 324.424 2.099 20 10 DECDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308708344 1147483315 /nfs/dbraw/zinc/48/33/15/1147483315.db2.gz BTTDNPVBGRARGX-ZDUSSCGKSA-N 1 0 311.857 2.161 20 10 DECDRO COc1cc(C)c(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(O)c1 ZINC001308821200 1147487358 /nfs/dbraw/zinc/48/73/58/1147487358.db2.gz PRZBVIBCUGWOKD-UHFFFAOYSA-N 1 0 315.435 2.012 20 10 DECDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC001318084440 1147768606 /nfs/dbraw/zinc/76/86/06/1147768606.db2.gz WAWYQZCPKGKWBY-HNNXBMFYSA-N 1 0 314.429 2.372 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001326483118 1148110850 /nfs/dbraw/zinc/11/08/50/1148110850.db2.gz BUHVZLQHFKMETQ-HIFRSBDPSA-N 1 0 323.433 2.477 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000378315364 529779930 /nfs/dbraw/zinc/77/99/30/529779930.db2.gz IQZMWZHVJRDTSG-KRWDZBQOSA-N 1 0 315.461 2.443 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000092098791 193158050 /nfs/dbraw/zinc/15/80/50/193158050.db2.gz LJTWVEMVAPLEMR-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000454877375 246216986 /nfs/dbraw/zinc/21/69/86/246216986.db2.gz QOJQXASYXDHVKU-LBPRGKRZSA-N 1 0 302.422 2.236 20 10 DECDRO CC(C)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000106434882 194213018 /nfs/dbraw/zinc/21/30/18/194213018.db2.gz LZLVXAFUVGXWGQ-QGZVFWFLSA-N 1 0 303.450 2.271 20 10 DECDRO COc1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1C ZINC000065935606 184383063 /nfs/dbraw/zinc/38/30/63/184383063.db2.gz XKQKOGNEJHXIOC-UHFFFAOYSA-N 1 0 313.401 2.195 20 10 DECDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1O ZINC000371420424 533476864 /nfs/dbraw/zinc/47/68/64/533476864.db2.gz XDKXSEDJLNBEFP-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273620697 130145763 /nfs/dbraw/zinc/14/57/63/130145763.db2.gz YZSNPLNINDGRPF-LMWSTFAQSA-N 1 0 306.406 2.499 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274736675 130257284 /nfs/dbraw/zinc/25/72/84/130257284.db2.gz BXDZRZBESOSSDY-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275150120 130295873 /nfs/dbraw/zinc/29/58/73/130295873.db2.gz SAOQNNAMYXTCLT-LBPRGKRZSA-N 1 0 316.323 2.201 20 10 DECDRO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(Br)cc1O ZINC000287385899 131278346 /nfs/dbraw/zinc/27/83/46/131278346.db2.gz PTMXZGVYKGGTOW-MRVPVSSYSA-N 1 0 311.183 2.134 20 10 DECDRO Cc1cc(C[NH+]2CCN(c3cccnn3)CC2)ccc1N(C)C ZINC000293059055 131704633 /nfs/dbraw/zinc/70/46/33/131704633.db2.gz KYBFLYPNMUFLLN-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000074169685 401732370 /nfs/dbraw/zinc/73/23/70/401732370.db2.gz DUIYPCCRGPEUAW-CQSZACIVSA-N 1 0 321.421 2.074 20 10 DECDRO COc1ccc(N2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000019556568 401822387 /nfs/dbraw/zinc/82/23/87/401822387.db2.gz KKFPWPACDADHGU-UHFFFAOYSA-N 1 0 303.450 2.303 20 10 DECDRO Oc1cccc(Cl)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119528356 401956614 /nfs/dbraw/zinc/95/66/14/401956614.db2.gz DGQUOFDNMWXWSZ-UHFFFAOYSA-N 1 0 323.868 2.259 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000184689200 402291902 /nfs/dbraw/zinc/29/19/02/402291902.db2.gz COEXIQDULCHHJD-CYBMUJFWSA-N 1 0 322.796 2.483 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000184700601 402293189 /nfs/dbraw/zinc/29/31/89/402293189.db2.gz OHMQEBFKYSIXGJ-JTQLQIEISA-N 1 0 312.797 2.142 20 10 DECDRO Cn1cncc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177064755 402366203 /nfs/dbraw/zinc/36/62/03/402366203.db2.gz LGIQFLLYWXKDFA-MRXNPFEDSA-N 1 0 301.390 2.307 20 10 DECDRO O=C1OCC[C@H]1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246294897 402523517 /nfs/dbraw/zinc/52/35/17/402523517.db2.gz AQBXFLOIKJPVES-GDBMZVCRSA-N 1 0 319.401 2.326 20 10 DECDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710588 402528984 /nfs/dbraw/zinc/52/89/84/402528984.db2.gz DDXSTWOIGSTFBS-CVEARBPZSA-N 1 0 301.434 2.421 20 10 DECDRO Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)c(O)c1O ZINC000179479853 402591603 /nfs/dbraw/zinc/59/16/03/402591603.db2.gz MGKKOSAIVVRJBW-UHFFFAOYSA-N 1 0 306.406 2.256 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000179490481 402592327 /nfs/dbraw/zinc/59/23/27/402592327.db2.gz XFKOLMNHXCXUQY-HNNXBMFYSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180433575 402616937 /nfs/dbraw/zinc/61/69/37/402616937.db2.gz NDEAECYYMBDQFX-CABCVRRESA-N 1 0 311.447 2.488 20 10 DECDRO COc1cc(O)c(C[N@H+](CC2CCC2)[C@H](C)CO)cc1OC ZINC000289586405 286239015 /nfs/dbraw/zinc/23/90/15/286239015.db2.gz UIQPYSDLTGZCGZ-GFCCVEGCSA-N 1 0 309.406 2.392 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183240967 402749526 /nfs/dbraw/zinc/74/95/26/402749526.db2.gz NPQGQCFGHPKEOG-AWEZNQCLSA-N 1 0 307.390 2.376 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000192910536 402756428 /nfs/dbraw/zinc/75/64/28/402756428.db2.gz ARGSRUDTRFHDQC-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175163300 402784384 /nfs/dbraw/zinc/78/43/84/402784384.db2.gz YFCYJIFVWZJFMG-RDJZCZTQSA-N 1 0 318.465 2.425 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000271329100 402858269 /nfs/dbraw/zinc/85/82/69/402858269.db2.gz MUNVIHGQFOUMFR-CYBMUJFWSA-N 1 0 302.378 2.207 20 10 DECDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000278553368 402867803 /nfs/dbraw/zinc/86/78/03/402867803.db2.gz ZODFHGNUIIKYCO-INIZCTEOSA-N 1 0 312.417 2.114 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000271582315 402881329 /nfs/dbraw/zinc/88/13/29/402881329.db2.gz XBTBMRQICZAPSS-SUMWQHHRSA-N 1 0 302.422 2.260 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000279789859 402962306 /nfs/dbraw/zinc/96/23/06/402962306.db2.gz MFOSRYGBORBPGD-UHFFFAOYSA-N 1 0 322.474 2.344 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(O)c1 ZINC000281216163 403060630 /nfs/dbraw/zinc/06/06/30/403060630.db2.gz KANKUVMMICXGPT-HIFRSBDPSA-N 1 0 320.389 2.111 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@@H]1OC ZINC000274944661 403097695 /nfs/dbraw/zinc/09/76/95/403097695.db2.gz RCDDPXCZXNSAOU-LNSITVRQSA-N 1 0 315.797 2.336 20 10 DECDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268803265 403115612 /nfs/dbraw/zinc/11/56/12/403115612.db2.gz BQOZJAFTVKNIHV-AWEZNQCLSA-N 1 0 310.413 2.301 20 10 DECDRO Cc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000282980930 403164100 /nfs/dbraw/zinc/16/41/00/403164100.db2.gz JIIYOTOFKQGYHD-WBVHZDCISA-N 1 0 305.418 2.358 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000270860794 403232224 /nfs/dbraw/zinc/23/22/24/403232224.db2.gz NCBATITUHAPCGL-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000269978830 403178086 /nfs/dbraw/zinc/17/80/86/403178086.db2.gz ZTSCGYTYXWJQFK-ROUUACIJSA-N 1 0 313.397 2.196 20 10 DECDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276639084 403192001 /nfs/dbraw/zinc/19/20/01/403192001.db2.gz XJIZEXZENZMSTC-UHFFFAOYSA-N 1 0 324.396 2.431 20 10 DECDRO COc1ccc(O)c(C[N@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000179629712 286338004 /nfs/dbraw/zinc/33/80/04/286338004.db2.gz HGFFZWPAAGTLAP-UHFFFAOYSA-N 1 0 314.385 2.278 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](CO)SC)CC2)cc1 ZINC000305138113 403846823 /nfs/dbraw/zinc/84/68/23/403846823.db2.gz PFFOIHSSBXUOGE-GUYCJALGSA-N 1 0 324.490 2.366 20 10 DECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295506234 403962201 /nfs/dbraw/zinc/96/22/01/403962201.db2.gz YUJDUOSLUBVORC-VIFPVBQESA-N 1 0 300.761 2.143 20 10 DECDRO CN(C)c1ccc(CN(C[C@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000289718065 403995315 /nfs/dbraw/zinc/99/53/15/403995315.db2.gz GRLSRINRMWZDHM-LJQANCHMSA-N 1 0 317.477 2.172 20 10 DECDRO COCCOC1(C[NH2+][C@@H](C)c2ccccc2O)CCOCC1 ZINC000296433164 404245530 /nfs/dbraw/zinc/24/55/30/404245530.db2.gz LZFNNWYHGLVTKX-AWEZNQCLSA-N 1 0 309.406 2.255 20 10 DECDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296954316 404388466 /nfs/dbraw/zinc/38/84/66/404388466.db2.gz QWVCWXIOFYPIAL-CQSZACIVSA-N 1 0 301.390 2.474 20 10 DECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364518920 404430808 /nfs/dbraw/zinc/43/08/08/404430808.db2.gz KAOZIEBNSDYSRR-LBPRGKRZSA-N 1 0 323.194 2.193 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000365883440 404738392 /nfs/dbraw/zinc/73/83/92/404738392.db2.gz RENHNZHCELOCRN-AWEZNQCLSA-N 1 0 324.808 2.349 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](O)C3(C)C)CC2)cc1 ZINC000361125897 404932125 /nfs/dbraw/zinc/93/21/25/404932125.db2.gz UQERSOYMAZTYJV-IAGOWNOFSA-N 1 0 304.434 2.413 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(n3cccn3)CC2)cc1OC ZINC000371366254 227069391 /nfs/dbraw/zinc/06/93/91/227069391.db2.gz KQEQDDGFFDSWTH-UHFFFAOYSA-N 1 0 317.389 2.443 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)NC ZINC000834913983 649859644 /nfs/dbraw/zinc/85/96/44/649859644.db2.gz RTIGMVQGDOUDPU-KWQFWETISA-N 1 0 315.211 2.330 20 10 DECDRO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296626107 303067268 /nfs/dbraw/zinc/06/72/68/303067268.db2.gz ZNWJNLXQMBREPW-LSDHHAIUSA-N 1 0 312.417 2.372 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000563875512 335095988 /nfs/dbraw/zinc/09/59/88/335095988.db2.gz VDFJRSOHEURJTI-AWEZNQCLSA-N 1 0 314.433 2.286 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000520771867 337390643 /nfs/dbraw/zinc/39/06/43/337390643.db2.gz FGWZZJRGDJOJNK-AWEZNQCLSA-N 1 0 314.433 2.428 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C(F)(F)F)cc1O ZINC000530220044 340782911 /nfs/dbraw/zinc/78/29/11/340782911.db2.gz BDPWGIBUEHXQOZ-YPMHNXCESA-N 1 0 318.339 2.440 20 10 DECDRO COCC1(O)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026924 649867915 /nfs/dbraw/zinc/86/79/15/649867915.db2.gz YYBICNPHTDBTCO-SNAWJCMRSA-N 1 0 304.434 2.239 20 10 DECDRO CNC(=O)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026255 649867979 /nfs/dbraw/zinc/86/79/79/649867979.db2.gz SUYXWTSGZVZKRU-SNAWJCMRSA-N 1 0 301.434 2.224 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068036 782148058 /nfs/dbraw/zinc/14/80/58/782148058.db2.gz JHSUJMFZHQTOFV-RISCZKNCSA-N 1 0 317.393 2.452 20 10 DECDRO CNC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025945 649868164 /nfs/dbraw/zinc/86/81/64/649868164.db2.gz OPWDDOWJAMKPAJ-TUYSUELWSA-N 1 0 301.434 2.366 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1O ZINC000371917463 533986513 /nfs/dbraw/zinc/98/65/13/533986513.db2.gz GBXJNBZTFDMCDJ-XHDPSFHLSA-N 1 0 319.380 2.448 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(c3noc(C)n3)CC2)c1 ZINC000375011489 534199594 /nfs/dbraw/zinc/19/95/94/534199594.db2.gz GGMITDRLVRASPG-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+](C2CC2)C1 ZINC000295746383 534274262 /nfs/dbraw/zinc/27/42/62/534274262.db2.gz UFVNVEFETLCXJE-MXPWBENCSA-N 1 0 316.401 2.054 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1F ZINC000237084630 522203218 /nfs/dbraw/zinc/20/32/18/522203218.db2.gz WJPUNVZXFVLGFP-OAHLLOKOSA-N 1 0 315.392 2.250 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCC1CC[NH2+]CC1 ZINC000237150565 522252725 /nfs/dbraw/zinc/25/27/25/522252725.db2.gz MAOADTDGQSWPRQ-UHFFFAOYSA-N 1 0 317.433 2.258 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000180633969 526157220 /nfs/dbraw/zinc/15/72/20/526157220.db2.gz UONZPZKGSWHVED-ZDUSSCGKSA-N 1 0 300.196 2.420 20 10 DECDRO COC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001327497867 1148569422 /nfs/dbraw/zinc/56/94/22/1148569422.db2.gz GJAYXSJHKNBBFM-UHFFFAOYSA-N 1 0 321.440 2.236 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000237882684 527475461 /nfs/dbraw/zinc/47/54/61/527475461.db2.gz MDWCHYVFVJCCIF-QGZVFWFLSA-N 1 0 301.434 2.288 20 10 DECDRO CC1CC[NH+](CCCNC(=O)NCc2ccccc2O)CC1 ZINC000299484100 528239536 /nfs/dbraw/zinc/23/95/36/528239536.db2.gz HUFVVZGZADFGMW-UHFFFAOYSA-N 1 0 305.422 2.313 20 10 DECDRO CCOc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000274262585 535458586 /nfs/dbraw/zinc/45/85/86/535458586.db2.gz NTXSVAAICPUPMW-UHFFFAOYSA-N 1 0 319.430 2.425 20 10 DECDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C(N)=O)C1 ZINC000835047079 649871551 /nfs/dbraw/zinc/87/15/51/649871551.db2.gz XLKWZVNVMLOEML-ROHVMALMSA-N 1 0 301.434 2.352 20 10 DECDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000835053324 649872313 /nfs/dbraw/zinc/87/23/13/649872313.db2.gz VPKLWFXJEHVXQL-LFAOLKIESA-N 1 0 301.434 2.366 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]Cc2cncn2C)c1O ZINC000291507508 625508810 /nfs/dbraw/zinc/50/88/10/625508810.db2.gz HZNHYPRGEMXFTO-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)C)cc2)CC1 ZINC000049740682 623198605 /nfs/dbraw/zinc/19/86/05/623198605.db2.gz CMWKCROGMVNWDC-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)cc1C ZINC000179438275 625647460 /nfs/dbraw/zinc/64/74/60/625647460.db2.gz LKXJFRTZVAXWJK-UHFFFAOYSA-N 1 0 318.417 2.200 20 10 DECDRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160309267 623473909 /nfs/dbraw/zinc/47/39/09/623473909.db2.gz HSYOANFXHHGUMP-AWEZNQCLSA-N 1 0 309.406 2.194 20 10 DECDRO CC[C@H](C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251060 623797636 /nfs/dbraw/zinc/79/76/36/623797636.db2.gz CRFINMNLSKFUIV-WMLDXEAASA-N 1 0 321.465 2.287 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891253095 623799513 /nfs/dbraw/zinc/79/95/13/623799513.db2.gz QLYSPUDUVVSWMT-IRXDYDNUSA-N 1 0 319.449 2.041 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccco2)[NH+](C)C)cc1 ZINC000891253184 623799551 /nfs/dbraw/zinc/79/95/51/623799551.db2.gz RHXIENOOHMHIAP-QGZVFWFLSA-N 1 0 315.417 2.307 20 10 DECDRO COc1cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c(O)cc1C ZINC000160494577 623874479 /nfs/dbraw/zinc/87/44/79/623874479.db2.gz OQAUGFRCNKYTKV-CQSZACIVSA-N 1 0 306.406 2.009 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCCCC[C@H]([NH3+])C2)cc1F ZINC000891456321 624206418 /nfs/dbraw/zinc/20/64/18/624206418.db2.gz NJBNIVLVLKJILM-AWEZNQCLSA-N 1 0 322.428 2.305 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000891605721 624491075 /nfs/dbraw/zinc/49/10/75/624491075.db2.gz DKGYLPIVSKBMIP-UHFFFAOYSA-N 1 0 320.481 2.482 20 10 DECDRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)c(O)c1O ZINC000177663540 625052431 /nfs/dbraw/zinc/05/24/31/625052431.db2.gz XLHCTDDFNYVWPH-UHFFFAOYSA-N 1 0 306.406 2.258 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000893052847 625080917 /nfs/dbraw/zinc/08/09/17/625080917.db2.gz IRQLRDRDZDAFSA-HNNXBMFYSA-N 1 0 318.465 2.345 20 10 DECDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000892612347 625193804 /nfs/dbraw/zinc/19/38/04/625193804.db2.gz HPBIWCPTCWPLJX-CYBMUJFWSA-N 1 0 308.447 2.281 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1 ZINC000314287370 625809576 /nfs/dbraw/zinc/80/95/76/625809576.db2.gz KUNBDMKRBCMQKM-CZUORRHYSA-N 1 0 310.463 2.198 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cn1 ZINC000893555409 634648794 /nfs/dbraw/zinc/64/87/94/634648794.db2.gz CNROEORWRHROHC-UHFFFAOYSA-N 1 0 318.373 2.445 20 10 DECDRO CC1(C)CN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921689071 634729403 /nfs/dbraw/zinc/72/94/03/634729403.db2.gz BVMNFPPGYMZNBS-UHFFFAOYSA-N 1 0 304.434 2.212 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000840933533 634772185 /nfs/dbraw/zinc/77/21/85/634772185.db2.gz GMVHPASLQVDAEH-UHFFFAOYSA-N 1 0 312.479 2.364 20 10 DECDRO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921700377 634782948 /nfs/dbraw/zinc/78/29/48/634782948.db2.gz PGJOSKJMUBCPSN-OAHLLOKOSA-N 1 0 312.417 2.270 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000177561035 632936060 /nfs/dbraw/zinc/93/60/60/632936060.db2.gz BLGRJYLCAYYQAE-IRXDYDNUSA-N 1 0 315.461 2.491 20 10 DECDRO CCOCc1cc(C[NH2+]CCc2nncn2CC)ccc1OC ZINC000735927205 633555468 /nfs/dbraw/zinc/55/54/68/633555468.db2.gz WOOFSWXRIRBVNR-UHFFFAOYSA-N 1 0 318.421 2.175 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000186466796 635186081 /nfs/dbraw/zinc/18/60/81/635186081.db2.gz FQDLFKOOXGTIRL-VXGBXAGGSA-N 1 0 308.378 2.282 20 10 DECDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893717147 635994799 /nfs/dbraw/zinc/99/47/99/635994799.db2.gz NVHBKWKHROOIMY-KRWDZBQOSA-N 1 0 309.406 2.394 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340239 636139980 /nfs/dbraw/zinc/13/99/80/636139980.db2.gz MHWQFJQAKRNGDU-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1 ZINC000922486231 636197534 /nfs/dbraw/zinc/19/75/34/636197534.db2.gz HHGYGNUUTKEFFX-APHBUQMISA-N 1 0 301.434 2.224 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)ccc1OC ZINC000922488856 636199980 /nfs/dbraw/zinc/19/99/80/636199980.db2.gz LQEORYTVZSGFEJ-OAHLLOKOSA-N 1 0 320.433 2.190 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1Cn1cccn1 ZINC000922556449 636238474 /nfs/dbraw/zinc/23/84/74/636238474.db2.gz UKXGOLAPQJDIBV-RHSMWYFYSA-N 1 0 314.433 2.122 20 10 DECDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000922839153 636436746 /nfs/dbraw/zinc/43/67/46/636436746.db2.gz OZNNGMOPHDNVLH-UHFFFAOYSA-N 1 0 319.430 2.328 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000922859854 636448933 /nfs/dbraw/zinc/44/89/33/636448933.db2.gz ZTKZPWPAHMYMPT-LLVKDONJSA-N 1 0 324.377 2.041 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC3(OC)OC)CC2)cc1 ZINC000924904505 636507251 /nfs/dbraw/zinc/50/72/51/636507251.db2.gz BQAOICPUNYEYSM-QGZVFWFLSA-N 1 0 320.433 2.405 20 10 DECDRO COC(=O)c1c(C[NH2+]CC2(C)COC2)c2cc(F)ccc2n1C ZINC000894255652 636579849 /nfs/dbraw/zinc/57/98/49/636579849.db2.gz HOVYRGGNXOSVHR-UHFFFAOYSA-N 1 0 320.364 2.230 20 10 DECDRO Cc1ccc(NCC[NH2+]Cc2cc3c(cc2O)OCO3)nc1 ZINC000922924083 636857831 /nfs/dbraw/zinc/85/78/31/636857831.db2.gz CFEUNBKIJZVTLH-UHFFFAOYSA-N 1 0 301.346 2.026 20 10 DECDRO CCOCCOCC[NH2+]Cc1c(O)cccc1Br ZINC000922945940 636878029 /nfs/dbraw/zinc/87/80/29/636878029.db2.gz XQWKKKKYFASLOT-UHFFFAOYSA-N 1 0 318.211 2.297 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccnn2C)cc1F ZINC000922972394 636892090 /nfs/dbraw/zinc/89/20/90/636892090.db2.gz IXLMMUZWUVQNAL-KRWDZBQOSA-N 1 0 320.412 2.229 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000841856662 636929231 /nfs/dbraw/zinc/92/92/31/636929231.db2.gz JZCVEAUGSSLKBE-WDEREUQCSA-N 1 0 314.480 2.017 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1O ZINC000894459021 637050207 /nfs/dbraw/zinc/05/02/07/637050207.db2.gz ZXPYPLSYZXSVCQ-QWHCGFSZSA-N 1 0 311.353 2.124 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1C ZINC000894608983 637123680 /nfs/dbraw/zinc/12/36/80/637123680.db2.gz HARMLWLBCVRMPB-UHFFFAOYSA-N 1 0 302.378 2.143 20 10 DECDRO COc1cccnc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894779384 637205777 /nfs/dbraw/zinc/20/57/77/637205777.db2.gz XPRAXBYLROQXAY-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO CCn1cc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000894940601 637341067 /nfs/dbraw/zinc/34/10/67/637341067.db2.gz UMVISIOHLHQEQT-CQSZACIVSA-N 1 0 301.438 2.393 20 10 DECDRO CC[C@H](C[NH2+]Cc1ccc(Br)cc1O)C(=O)OC ZINC000895127365 637619929 /nfs/dbraw/zinc/61/99/29/637619929.db2.gz KHXXQAIXDSUWPQ-SECBINFHSA-N 1 0 316.195 2.444 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1F ZINC000839195827 637822605 /nfs/dbraw/zinc/82/26/05/637822605.db2.gz OAOJTHQKJOYMCC-AWEZNQCLSA-N 1 0 307.413 2.288 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000840914627 650379724 /nfs/dbraw/zinc/37/97/24/650379724.db2.gz FPWXXTVFFOKTBD-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/39/54/53/650395453.db2.gz ISNDHEKSSLDGPC-ZDUSSCGKSA-N 1 0 319.332 2.126 20 10 DECDRO Fc1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)ccc1N1CCOCC1 ZINC000895780894 638199879 /nfs/dbraw/zinc/19/98/79/638199879.db2.gz ZARHOWIBCCAUSN-GASCZTMLSA-N 1 0 322.449 2.457 20 10 DECDRO C[N@H+](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000895877704 638240881 /nfs/dbraw/zinc/24/08/81/638240881.db2.gz YYDHUBOOZXTQDL-UHFFFAOYSA-N 1 0 306.387 2.137 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCNC(=O)CC23CCC3)c1O ZINC000895928157 638270860 /nfs/dbraw/zinc/27/08/60/638270860.db2.gz IWVUUOZTSTZMMA-UHFFFAOYSA-N 1 0 304.390 2.036 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000745838017 638293395 /nfs/dbraw/zinc/29/33/95/638293395.db2.gz FTLCZQKUTOJRRA-QWHCGFSZSA-N 1 0 321.421 2.245 20 10 DECDRO CC(C)n1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841043850 650412798 /nfs/dbraw/zinc/41/27/98/650412798.db2.gz QNOOLFNLUDSFSG-KRWDZBQOSA-N 1 0 301.438 2.320 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(O)c1 ZINC000896398816 638502637 /nfs/dbraw/zinc/50/26/37/638502637.db2.gz WVHGPRPEXJHNAK-PBHICJAKSA-N 1 0 304.390 2.411 20 10 DECDRO NC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000841086288 650427005 /nfs/dbraw/zinc/42/70/05/650427005.db2.gz HRWKDLKWYIWIND-GOSISDBHSA-N 1 0 303.450 2.130 20 10 DECDRO Nc1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000841301683 650471199 /nfs/dbraw/zinc/47/11/99/650471199.db2.gz DDQAISAGYDAATE-UHFFFAOYSA-N 1 0 311.389 2.454 20 10 DECDRO CCOCCOCC[NH2+]Cc1ccc(Br)cc1O ZINC000897203839 639240391 /nfs/dbraw/zinc/24/03/91/639240391.db2.gz FRBVGJCZHUGRBN-UHFFFAOYSA-N 1 0 318.211 2.297 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000756398154 639658407 /nfs/dbraw/zinc/65/84/07/639658407.db2.gz CEFWYWPWWBGTBF-IHRRRGAJSA-N 1 0 308.422 2.161 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(F)ccc1O ZINC000756432802 639661902 /nfs/dbraw/zinc/66/19/02/639661902.db2.gz UIYLHXODWUKLFS-NSHDSACASA-N 1 0 313.336 2.358 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000756481634 639664974 /nfs/dbraw/zinc/66/49/74/639664974.db2.gz FBWZVKNTPJGSKV-GFCCVEGCSA-N 1 0 314.451 2.069 20 10 DECDRO COCCN1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756552132 639673075 /nfs/dbraw/zinc/67/30/75/639673075.db2.gz LTUXXXQZUCCJOE-DYEKYZERSA-N 1 0 308.397 2.390 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000839665558 639784940 /nfs/dbraw/zinc/78/49/40/639784940.db2.gz ICGNQKYOUJBRBK-HKUYNNGSSA-N 1 0 318.461 2.160 20 10 DECDRO COc1cc(Br)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000843054473 639790660 /nfs/dbraw/zinc/79/06/60/639790660.db2.gz NELPSCOHFPZXPW-LLVKDONJSA-N 1 0 315.211 2.086 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000841654072 650530443 /nfs/dbraw/zinc/53/04/43/650530443.db2.gz MNVDEYIGRUCSPH-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO CC[C@@]1(C)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758742100 639991879 /nfs/dbraw/zinc/99/18/79/639991879.db2.gz UATUFWJQGJDHNJ-SFHVURJKSA-N 1 0 303.450 2.491 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000729050468 640009720 /nfs/dbraw/zinc/00/97/20/640009720.db2.gz JSGMWITTZGFCAC-NWDGAFQWSA-N 1 0 309.410 2.101 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710529 650547838 /nfs/dbraw/zinc/54/78/38/650547838.db2.gz XYFJIVFVCHLVEX-CQSZACIVSA-N 1 0 304.438 2.084 20 10 DECDRO [NH3+]C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709129 650546884 /nfs/dbraw/zinc/54/68/84/650546884.db2.gz CJETWHSKGJCSCC-MRXNPFEDSA-N 1 0 316.449 2.167 20 10 DECDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709772 650547049 /nfs/dbraw/zinc/54/70/49/650547049.db2.gz MIMXGMUAALCCAP-WMLDXEAASA-N 1 0 316.449 2.084 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000841710081 650547140 /nfs/dbraw/zinc/54/71/40/650547140.db2.gz SGXYJJZNQMSBFJ-PBHICJAKSA-N 1 0 316.449 2.166 20 10 DECDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCC[NH2+]3)ccc21 ZINC000841759321 650558641 /nfs/dbraw/zinc/55/86/41/650558641.db2.gz NDQWMZVRIBXEII-INIZCTEOSA-N 1 0 316.449 2.010 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762114 650559031 /nfs/dbraw/zinc/55/90/31/650559031.db2.gz VFVABCLBEIMYTK-ZDUSSCGKSA-N 1 0 310.417 2.208 20 10 DECDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000761228979 640288994 /nfs/dbraw/zinc/28/89/94/640288994.db2.gz QARZVYNGUBNWCS-LLVKDONJSA-N 1 0 309.797 2.082 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCCC[NH2+]C)cc1F ZINC000841799631 650567789 /nfs/dbraw/zinc/56/77/89/650567789.db2.gz YXVBDOYEGCXTGT-UHFFFAOYSA-N 1 0 310.417 2.081 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1 ZINC000762555285 640438155 /nfs/dbraw/zinc/43/81/55/640438155.db2.gz DHIJMKGTNWVUBZ-IBGZPJMESA-N 1 0 319.493 2.469 20 10 DECDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000841856351 650581490 /nfs/dbraw/zinc/58/14/90/650581490.db2.gz IUAGCHUSSHQQCS-NSHDSACASA-N 1 0 314.480 2.019 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1OC ZINC000897510513 640519354 /nfs/dbraw/zinc/51/93/54/640519354.db2.gz VKNFNUNHAFXANX-HIFRSBDPSA-N 1 0 307.390 2.457 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)c(O)c1 ZINC000841880509 650590891 /nfs/dbraw/zinc/59/08/91/650590891.db2.gz BPFFHWGKPMOVJC-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1O ZINC000237400776 640603285 /nfs/dbraw/zinc/60/32/85/640603285.db2.gz KSSZBJPOANENSO-UHFFFAOYSA-N 1 0 310.357 2.271 20 10 DECDRO O=C(NCc1ccccc1O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764837894 640700829 /nfs/dbraw/zinc/70/08/29/640700829.db2.gz BACVNTFUCYWZJI-OAHLLOKOSA-N 1 0 303.406 2.208 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH2+]C1CC1 ZINC000841918812 650602736 /nfs/dbraw/zinc/60/27/36/650602736.db2.gz CEGPRMREHLSQIQ-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841930125 650605183 /nfs/dbraw/zinc/60/51/83/650605183.db2.gz ZITSWRKDBSHYLX-GOEBONIOSA-N 1 0 318.465 2.282 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1C ZINC000897559390 640796829 /nfs/dbraw/zinc/79/68/29/640796829.db2.gz VGMMXLWPESPGEU-QGZVFWFLSA-N 1 0 301.390 2.316 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841943072 650608204 /nfs/dbraw/zinc/60/82/04/650608204.db2.gz DLDVKPPTTCDQIG-OAHLLOKOSA-N 1 0 305.422 2.456 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841945488 650609076 /nfs/dbraw/zinc/60/90/76/650609076.db2.gz NSVIPJVTECYDMR-KRWDZBQOSA-N 1 0 318.465 2.410 20 10 DECDRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000841976859 650617956 /nfs/dbraw/zinc/61/79/56/650617956.db2.gz IVRHDNNKAHKIIZ-CQSZACIVSA-N 1 0 317.433 2.212 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841977623 650617991 /nfs/dbraw/zinc/61/79/91/650617991.db2.gz NPALRYFHBXIAOX-DZGCQCFKSA-N 1 0 305.422 2.312 20 10 DECDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(C)cc1O)CCO2 ZINC000897998094 640988370 /nfs/dbraw/zinc/98/83/70/640988370.db2.gz NWDRHIXNCVHZPU-QZTJIDSGSA-N 1 0 321.417 2.493 20 10 DECDRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000767727827 641015993 /nfs/dbraw/zinc/01/59/93/641015993.db2.gz NGSMSEPIVWXDJI-AWEZNQCLSA-N 1 0 313.353 2.474 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000842001577 650624197 /nfs/dbraw/zinc/62/41/97/650624197.db2.gz APVMVJJXUPFQON-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO CC[C@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000842004607 650625191 /nfs/dbraw/zinc/62/51/91/650625191.db2.gz HAJHTFDNTXFYAZ-HNNXBMFYSA-N 1 0 306.454 2.412 20 10 DECDRO CC[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768141345 641054192 /nfs/dbraw/zinc/05/41/92/641054192.db2.gz XKSSFNRTOLOULJ-UHFFFAOYSA-N 1 0 307.394 2.399 20 10 DECDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440075 641080552 /nfs/dbraw/zinc/08/05/52/641080552.db2.gz CVKKTBIURSPSIT-AWEZNQCLSA-N 1 0 320.776 2.498 20 10 DECDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768438889 641080760 /nfs/dbraw/zinc/08/07/60/641080760.db2.gz AARCTUDCAJPZNV-ZDUSSCGKSA-N 1 0 323.389 2.327 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1OC ZINC000768447674 641082480 /nfs/dbraw/zinc/08/24/80/641082480.db2.gz RRGDNBVDIWTNON-AWEZNQCLSA-N 1 0 317.389 2.443 20 10 DECDRO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445735 641082736 /nfs/dbraw/zinc/08/27/36/641082736.db2.gz HEVCGGIEGIEUIC-BBRMVZONSA-N 1 0 307.390 2.065 20 10 DECDRO COc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)c(O)cc1C ZINC000768464536 641084771 /nfs/dbraw/zinc/08/47/71/641084771.db2.gz BAVLXGJNXAKTII-UHFFFAOYSA-N 1 0 314.376 2.482 20 10 DECDRO CC[C@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842006193 650626363 /nfs/dbraw/zinc/62/63/63/650626363.db2.gz KYTGDMQUPIKALA-AWEZNQCLSA-N 1 0 304.438 2.164 20 10 DECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1OC)CC2 ZINC000769427823 641238917 /nfs/dbraw/zinc/23/89/17/641238917.db2.gz 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/nfs/dbraw/zinc/09/70/27/648097027.db2.gz CJMPYZSRYXJELN-OAHLLOKOSA-N 1 0 317.385 2.103 20 10 DECDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822301083 648183431 /nfs/dbraw/zinc/18/34/31/648183431.db2.gz KQJGFJGQYRYUJD-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823664362 648464265 /nfs/dbraw/zinc/46/42/65/648464265.db2.gz VTEZKCMVZLPXMG-HZPDHXFCSA-N 1 0 317.477 2.450 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000823663400 648464608 /nfs/dbraw/zinc/46/46/08/648464608.db2.gz PEXIBAMLXSFADH-HNNXBMFYSA-N 1 0 317.477 2.450 20 10 DECDRO CCC[C@@H]1CN(Cc2cc(OC)ccc2O)CC[N@@H+]1CCOC ZINC000180685603 648507950 /nfs/dbraw/zinc/50/79/50/648507950.db2.gz PUIXRQBSBDGYBO-MRXNPFEDSA-N 1 0 322.449 2.334 20 10 DECDRO COc1nccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000824160736 648537554 /nfs/dbraw/zinc/53/75/54/648537554.db2.gz HWKABBGCSPKYNG-UHFFFAOYSA-N 1 0 316.405 2.062 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000824710188 648640355 /nfs/dbraw/zinc/64/03/55/648640355.db2.gz TZNUSQFVLAMROE-HOTGVXAUSA-N 1 0 324.852 2.385 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CCS(C)(=O)=O)cc1Cl ZINC000825341320 648745693 /nfs/dbraw/zinc/74/56/93/648745693.db2.gz HCIJNMIFKDPGFF-JTQLQIEISA-N 1 0 305.827 2.267 20 10 DECDRO COCCN(CC[NH+](C)C)Cc1cc(Cl)c(C)cc1O ZINC000825916145 648825543 /nfs/dbraw/zinc/82/55/43/648825543.db2.gz JBMCHXVMMRVDOM-UHFFFAOYSA-N 1 0 300.830 2.364 20 10 DECDRO COc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934386 648828010 /nfs/dbraw/zinc/82/80/10/648828010.db2.gz IJAOZFWKVGHMRE-LBPRGKRZSA-N 1 0 320.433 2.409 20 10 DECDRO CCNC(=O)C1C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826114150 648852426 /nfs/dbraw/zinc/85/24/26/648852426.db2.gz VSUJERDJKXXKSM-UHFFFAOYSA-N 1 0 320.433 2.266 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000826845515 648935152 /nfs/dbraw/zinc/93/51/52/648935152.db2.gz 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ZINC000827726424 649076436 /nfs/dbraw/zinc/07/64/36/649076436.db2.gz ZTORBTAVSSERLC-HUUCEWRRSA-N 1 0 319.449 2.089 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)OC)CC2)c1 ZINC000827935597 649108201 /nfs/dbraw/zinc/10/82/01/649108201.db2.gz ZRYWCIZHIYDZQV-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)cc2)CC1 ZINC000829108315 649272942 /nfs/dbraw/zinc/27/29/42/649272942.db2.gz WLNLFMQCPPMTKY-QFBILLFUSA-N 1 0 316.445 2.116 20 10 DECDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000830109350 649395152 /nfs/dbraw/zinc/39/51/52/649395152.db2.gz PQQBWBZCWZBOOD-SJLPKXTDSA-N 1 0 304.434 2.489 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748445 649637948 /nfs/dbraw/zinc/63/79/48/649637948.db2.gz CDVTYKOKLCNSBK-HUUCEWRRSA-N 1 0 319.449 2.026 20 10 DECDRO CSc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000832273299 649691369 /nfs/dbraw/zinc/69/13/69/649691369.db2.gz NCOXYJMQIWFVRS-ZDUSSCGKSA-N 1 0 319.430 2.497 20 10 DECDRO CC(C)OCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278133 649691385 /nfs/dbraw/zinc/69/13/85/649691385.db2.gz AVJBEJZXDUVOAN-MRXNPFEDSA-N 1 0 307.438 2.074 20 10 DECDRO CCCCO[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282046 649691912 /nfs/dbraw/zinc/69/19/12/649691912.db2.gz XPCFCDNSTFRKFE-CZUORRHYSA-N 1 0 307.438 2.074 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(Cl)n2)cc1 ZINC000832282394 649691958 /nfs/dbraw/zinc/69/19/58/649691958.db2.gz ZJQJCHHMTYEQEM-CYBMUJFWSA-N 1 0 318.808 2.231 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nc(Cl)cs2)cc1 ZINC000832283788 649692188 /nfs/dbraw/zinc/69/21/88/649692188.db2.gz CATLNWKEVVXGGQ-LLVKDONJSA-N 1 0 324.837 2.292 20 10 DECDRO CC(C)([NH3+])CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844173765 651086102 /nfs/dbraw/zinc/08/61/02/651086102.db2.gz VPUWZPJFJBIOCK-UHFFFAOYSA-N 1 0 321.490 2.374 20 10 DECDRO COc1ccc(N2CCC(NC(=O)CCC(C)(C)[NH3+])CC2)cc1 ZINC000844180671 651087538 /nfs/dbraw/zinc/08/75/38/651087538.db2.gz KPTCKHODRAXDDI-UHFFFAOYSA-N 1 0 319.449 2.298 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000844322400 651112135 /nfs/dbraw/zinc/11/21/35/651112135.db2.gz MGJMMPSETAPTQY-LRDDRELGSA-N 1 0 303.406 2.386 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(C)ncn2)cc1 ZINC000844401868 651123390 /nfs/dbraw/zinc/12/33/90/651123390.db2.gz OLHKDGDLDMUMOO-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO CC(C)O[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000844719434 651159886 /nfs/dbraw/zinc/15/98/86/651159886.db2.gz ZATCHWWJTASEDI-XJKSGUPXSA-N 1 0 307.390 2.207 20 10 DECDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846071897 651306352 /nfs/dbraw/zinc/30/63/52/651306352.db2.gz BXZPAXDEUVHBMW-HNNXBMFYSA-N 1 0 304.434 2.428 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)c1O ZINC000846149745 651311232 /nfs/dbraw/zinc/31/12/32/651311232.db2.gz QVXVDOKHZABMDB-LBPRGKRZSA-N 1 0 314.385 2.393 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000846166591 651312480 /nfs/dbraw/zinc/31/24/80/651312480.db2.gz AKTKLZRICIYFJL-HUBLWGQQSA-N 1 0 311.422 2.209 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000846170336 651312850 /nfs/dbraw/zinc/31/28/50/651312850.db2.gz XFRMCSCFKRIWTF-OBJOEFQTSA-N 1 0 304.390 2.205 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000846173018 651313207 /nfs/dbraw/zinc/31/32/07/651313207.db2.gz PIHNHHHNNBQOIA-WDEREUQCSA-N 1 0 300.349 2.391 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000846225986 651316777 /nfs/dbraw/zinc/31/67/77/651316777.db2.gz STFPOTNIEWKUKZ-GUYCJALGSA-N 1 0 306.381 2.295 20 10 DECDRO CCN(C)C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776846 651350729 /nfs/dbraw/zinc/35/07/29/651350729.db2.gz ZILLAAXVEUMCAC-SFHVURJKSA-N 1 0 307.482 2.276 20 10 DECDRO O=C(NCc1ccccc1O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847303612 651387765 /nfs/dbraw/zinc/38/77/65/651387765.db2.gz XTCTUYUXWWNXOR-LSDHHAIUSA-N 1 0 303.406 2.208 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848427389 651458541 /nfs/dbraw/zinc/45/85/41/651458541.db2.gz LKNFPZRQMGIKOW-AEFFLSMTSA-N 1 0 301.434 2.101 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)C1)[C@@H](O)CO2 ZINC000848498406 651464071 /nfs/dbraw/zinc/46/40/71/651464071.db2.gz SCBLLJWPKFGMST-YOEHRIQHSA-N 1 0 319.401 2.352 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848564147 651471522 /nfs/dbraw/zinc/47/15/22/651471522.db2.gz IHTPVKUSDBOMAZ-GDBMZVCRSA-N 1 0 313.449 2.479 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCN3CCCC[C@H]13)OCO2 ZINC000848574946 651473450 /nfs/dbraw/zinc/47/34/50/651473450.db2.gz JLQVFFNAGVMVMF-ZIAGYGMSSA-N 1 0 304.390 2.227 20 10 DECDRO CCc1cccc(C[N@H+](CC(=O)OC)C2CCOCC2)c1O ZINC000848891054 651547511 /nfs/dbraw/zinc/54/75/11/651547511.db2.gz WPRAHMSIENKUAE-UHFFFAOYSA-N 1 0 307.390 2.109 20 10 DECDRO CCc1cccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000848899534 651551466 /nfs/dbraw/zinc/55/14/66/651551466.db2.gz PSFBMXUBNHIRKY-UHFFFAOYSA-N 1 0 311.447 2.259 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)c1O ZINC000848912815 651557389 /nfs/dbraw/zinc/55/73/89/651557389.db2.gz WXDXZUFRHHOCGZ-AWEZNQCLSA-N 1 0 310.463 2.254 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000848911584 651557942 /nfs/dbraw/zinc/55/79/42/651557942.db2.gz HGLFTBCLLFPENQ-ZFWWWQNUSA-N 1 0 320.433 2.305 20 10 DECDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000848921770 651562221 /nfs/dbraw/zinc/56/22/21/651562221.db2.gz WRWIOJAQAHWWNF-HNNXBMFYSA-N 1 0 306.381 2.268 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848929848 651564985 /nfs/dbraw/zinc/56/49/85/651564985.db2.gz KFQASHLRPDIRHX-MRXNPFEDSA-N 1 0 303.406 2.134 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000848930729 651565411 /nfs/dbraw/zinc/56/54/11/651565411.db2.gz VTMDTPILDAOVPT-QGZVFWFLSA-N 1 0 304.434 2.387 20 10 DECDRO COc1cc(C[NH2+]C[C@@](C)(O)CN(C)C)c(O)c(C(C)(C)C)c1 ZINC000850222833 651865759 /nfs/dbraw/zinc/86/57/59/651865759.db2.gz PAPGEVDGQLMPAK-GOSISDBHSA-N 1 0 324.465 2.101 20 10 DECDRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850281097 651886396 /nfs/dbraw/zinc/88/63/96/651886396.db2.gz OSUITKANRKGVLW-KPZWWZAWSA-N 1 0 323.433 2.328 20 10 DECDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850341738 651903975 /nfs/dbraw/zinc/90/39/75/651903975.db2.gz AEKMCVYREHZXGN-GOSISDBHSA-N 1 0 317.477 2.486 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 ZINC000850346322 651905028 /nfs/dbraw/zinc/90/50/28/651905028.db2.gz FCVCCPVFGRGYEM-OWCLPIDISA-N 1 0 315.461 2.489 20 10 DECDRO O=[S@@](CC[NH2+]Cc1cc(Cl)ccc1O)CC(F)(F)F ZINC000850348892 651907243 /nfs/dbraw/zinc/90/72/43/651907243.db2.gz XHUUPMDOJCUODK-IBGZPJMESA-N 1 0 315.744 2.446 20 10 DECDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccccc3O)CC2=O)cc1 ZINC000850359863 651910028 /nfs/dbraw/zinc/91/00/28/651910028.db2.gz UQMVWURRJQDUBU-CQSZACIVSA-N 1 0 312.369 2.296 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)C3(CO)CC3)CC2)cc1 ZINC000850361024 651910374 /nfs/dbraw/zinc/91/03/74/651910374.db2.gz MSTVPKSUIPLJGB-CQSZACIVSA-N 1 0 304.434 2.415 20 10 DECDRO Fc1cc(C[NH2+][C@H]2COC3(CCC3)C2)ccc1N1CCOCC1 ZINC000850367517 651912891 /nfs/dbraw/zinc/91/28/91/651912891.db2.gz LUBYUJONTKMAPB-OAHLLOKOSA-N 1 0 320.408 2.464 20 10 DECDRO CCOc1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000850395927 651919447 /nfs/dbraw/zinc/91/94/47/651919447.db2.gz FFDHCXOHZIDKDT-INIZCTEOSA-N 1 0 320.433 2.134 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccn(C)n3)C2)cc1 ZINC000850487601 651938115 /nfs/dbraw/zinc/93/81/15/651938115.db2.gz OEPHGDDQCRBVTO-UONOGXRCSA-N 1 0 300.406 2.358 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3nccn3C)C2)cc1 ZINC000850488896 651938404 /nfs/dbraw/zinc/93/84/04/651938404.db2.gz PBBCDUUZTHBPFH-KGLIPLIRSA-N 1 0 300.406 2.358 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CC2 ZINC000850554763 651952660 /nfs/dbraw/zinc/95/26/60/651952660.db2.gz FQLJXMDBOKHDAZ-JKSUJKDBSA-N 1 0 302.418 2.222 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000850554955 651952935 /nfs/dbraw/zinc/95/29/35/651952935.db2.gz FTCUWMICSSTDJI-HIFRSBDPSA-N 1 0 320.433 2.305 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000850578893 651956723 /nfs/dbraw/zinc/95/67/23/651956723.db2.gz PMMJBGMDYZBDMQ-HGNGGELXSA-N 1 0 316.195 2.337 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000851655507 652199923 /nfs/dbraw/zinc/19/99/23/652199923.db2.gz RNUPBJCCGIVZEP-HZPDHXFCSA-N 1 0 322.428 2.114 20 10 DECDRO COC[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000851841857 652256356 /nfs/dbraw/zinc/25/63/56/652256356.db2.gz YNHYPHVZYFHDOE-HZPDHXFCSA-N 1 0 309.406 2.035 20 10 DECDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142966 652263864 /nfs/dbraw/zinc/26/38/64/652263864.db2.gz BSAVFWCLCOFWSC-AWEZNQCLSA-N 1 0 304.406 2.234 20 10 DECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172982 652271081 /nfs/dbraw/zinc/27/10/81/652271081.db2.gz MZHDDELNIRQFDL-MEDUHNTESA-N 1 0 314.376 2.172 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000858295546 652298528 /nfs/dbraw/zinc/29/85/28/652298528.db2.gz CPBWZNHDUVBHJF-DKTWLAJQSA-N 1 0 316.195 2.024 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c(O)c1 ZINC000858327496 652307680 /nfs/dbraw/zinc/30/76/80/652307680.db2.gz SEZSLWARFRSDJM-HIFRSBDPSA-N 1 0 319.361 2.102 20 10 DECDRO COc1ccc(N2CC[C@H](N[C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217682 652659758 /nfs/dbraw/zinc/65/97/58/652659758.db2.gz OPLGFWJTGFLPQW-RVKKMQEKSA-N 1 0 303.450 2.394 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000389778586 685435117 /nfs/dbraw/zinc/43/51/17/685435117.db2.gz FUCREQHMBOPNBN-KXBFYZLASA-N 1 0 323.440 2.448 20 10 DECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000858591642 685564567 /nfs/dbraw/zinc/56/45/67/685564567.db2.gz IFIYDTMVFBVPIB-PELMWDNLSA-N 1 0 307.325 2.404 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(O)CCCC1 ZINC000126956848 684159072 /nfs/dbraw/zinc/15/90/72/684159072.db2.gz COQZECSKGWKBEL-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO C[C@@H](NC(=O)CCCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000155540186 684275799 /nfs/dbraw/zinc/27/57/99/684275799.db2.gz AVVGNJOLUAJVPY-OAHLLOKOSA-N 1 0 319.449 2.220 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000191672268 684434290 /nfs/dbraw/zinc/43/42/90/684434290.db2.gz CCTHXRNNZITVDJ-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000192688325 684455971 /nfs/dbraw/zinc/45/59/71/684455971.db2.gz NHRKIIUMLKLEQN-NSHDSACASA-N 1 0 310.394 2.404 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)C2(O)CCC2)cc1 ZINC000929185610 693912813 /nfs/dbraw/zinc/91/28/13/693912813.db2.gz VYNKWQNCNLKBSY-QGZVFWFLSA-N 1 0 306.450 2.241 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC3)C[C@@H]2C)cc1C ZINC001054312256 693924021 /nfs/dbraw/zinc/92/40/21/693924021.db2.gz WROXZRPOSHVFES-BBRMVZONSA-N 1 0 302.418 2.350 20 10 DECDRO CC(C)[N@H+](CCc1cn(C)nn1)Cc1ccc(N(C)C)cc1 ZINC000859082188 685651353 /nfs/dbraw/zinc/65/13/53/685651353.db2.gz QJFMNNOQVWDHJS-UHFFFAOYSA-N 1 0 301.438 2.334 20 10 DECDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000861574607 686147992 /nfs/dbraw/zinc/14/79/92/686147992.db2.gz WGCASPBOWFUXSS-OAHLLOKOSA-N 1 0 318.465 2.412 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000861620824 686160323 /nfs/dbraw/zinc/16/03/23/686160323.db2.gz OFDBFJQQOIHROR-IPYPFGDCSA-N 1 0 304.438 2.253 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862224078 686259066 /nfs/dbraw/zinc/25/90/66/686259066.db2.gz HRYXGMYDCWIENY-VIFPVBQESA-N 1 0 314.179 2.150 20 10 DECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862227763 686259711 /nfs/dbraw/zinc/25/97/11/686259711.db2.gz HNZOEURYPIARGQ-SNVBAGLBSA-N 1 0 300.349 2.272 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000862331446 686277697 /nfs/dbraw/zinc/27/76/97/686277697.db2.gz KOGXGUULUAOFOF-JTQLQIEISA-N 1 0 323.194 2.193 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862475818 686307778 /nfs/dbraw/zinc/30/77/78/686307778.db2.gz YDOUPKAFADYFND-OAHLLOKOSA-N 1 0 313.781 2.118 20 10 DECDRO COc1cccc(O)c1CNc1cnn(C2CC[NH+](C)CC2)c1 ZINC000865702764 687306468 /nfs/dbraw/zinc/30/64/68/687306468.db2.gz HCZAOLHFWMFUIO-UHFFFAOYSA-N 1 0 316.405 2.476 20 10 DECDRO CN(C)c1cc(F)c(CNc2cc3n(n2)CC[N@H+](C)C3)cc1F ZINC000865846183 687353001 /nfs/dbraw/zinc/35/30/01/687353001.db2.gz LEKPOWMZTDLHOW-UHFFFAOYSA-N 1 0 321.375 2.285 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930209854 694112978 /nfs/dbraw/zinc/11/29/78/694112978.db2.gz JLOVQJBLYQSNRB-CQSZACIVSA-N 1 0 312.417 2.351 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nnc(C3CCOCC3)[nH]1)CC2 ZINC000866439340 687572679 /nfs/dbraw/zinc/57/26/79/687572679.db2.gz FUFWYNWYCKOXAB-ZDUSSCGKSA-N 1 0 314.389 2.181 20 10 DECDRO C[C@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2O ZINC000866496756 687591691 /nfs/dbraw/zinc/59/16/91/687591691.db2.gz WYTMQFNTMFPASX-GWCFXTLKSA-N 1 0 314.364 2.348 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868355888 687988663 /nfs/dbraw/zinc/98/86/63/687988663.db2.gz SMBZINNPGMDHEO-STQMWFEESA-N 1 0 303.406 2.237 20 10 DECDRO C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868698937 688108731 /nfs/dbraw/zinc/10/87/31/688108731.db2.gz ZRFBQIQUVNKFFK-UONOGXRCSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001020134885 688471529 /nfs/dbraw/zinc/47/15/29/688471529.db2.gz GAYLVGXCZXLCOO-IHRRRGAJSA-N 1 0 324.371 2.396 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870949876 688692877 /nfs/dbraw/zinc/69/28/77/688692877.db2.gz STMICEXRSGWKKD-GASCZTMLSA-N 1 0 319.449 2.107 20 10 DECDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000872203676 688951490 /nfs/dbraw/zinc/95/14/90/688951490.db2.gz ABECDZNVHLEIPV-RBUKOAKNSA-N 1 0 316.445 2.064 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C2CCN(C(C)=O)CC2)cc1 ZINC000930849853 694254838 /nfs/dbraw/zinc/25/48/38/694254838.db2.gz PPDKOCIZRBEUHI-UHFFFAOYSA-N 1 0 319.449 2.074 20 10 DECDRO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000872827947 689102018 /nfs/dbraw/zinc/10/20/18/689102018.db2.gz PGLHSPIILMGDAA-WBVHZDCISA-N 1 0 319.357 2.039 20 10 DECDRO COc1ccc(C[NH2+]C2CCOCC2)cc1Cn1cccn1 ZINC000873015870 689141144 /nfs/dbraw/zinc/14/11/44/689141144.db2.gz AFWGRDGLKJNJEC-UHFFFAOYSA-N 1 0 301.390 2.209 20 10 DECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873052201 689149121 /nfs/dbraw/zinc/14/91/21/689149121.db2.gz SISMESFYAWFTOD-PBHICJAKSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@H](CCO)C2CC2)cc1Cn1cccn1 ZINC000873058604 689150471 /nfs/dbraw/zinc/15/04/71/689150471.db2.gz GYWSAWYJNAOLHF-QGZVFWFLSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2O)cc1 ZINC000873190719 689179676 /nfs/dbraw/zinc/17/96/76/689179676.db2.gz CXARGCQPRIFTHD-GOSISDBHSA-N 1 0 301.386 2.484 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000873240142 689191481 /nfs/dbraw/zinc/19/14/81/689191481.db2.gz KPFXYIOERKTFMP-OBJOEFQTSA-N 1 0 306.406 2.347 20 10 DECDRO CN1CCCc2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)ccc21 ZINC000874251896 689378038 /nfs/dbraw/zinc/37/80/38/689378038.db2.gz SSLNUQDXVJRFEK-OAHLLOKOSA-N 1 0 301.434 2.027 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876727763 689917578 /nfs/dbraw/zinc/91/75/78/689917578.db2.gz BTPWZRUYAYDVNF-MJGOQNOKSA-N 1 0 313.445 2.435 20 10 DECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000876735204 689920741 /nfs/dbraw/zinc/92/07/41/689920741.db2.gz MAFPLYHCURGZGE-GFCCVEGCSA-N 1 0 316.323 2.296 20 10 DECDRO C[C@H]1OCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000876739708 689922799 /nfs/dbraw/zinc/92/27/99/689922799.db2.gz PXCANSDVNPNLEL-LSDHHAIUSA-N 1 0 304.434 2.257 20 10 DECDRO C[N@H+](Cc1cn[nH]c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876739649 689922909 /nfs/dbraw/zinc/92/29/09/689922909.db2.gz FCLPDHZPTJGMHJ-UHFFFAOYSA-N 1 0 300.406 2.003 20 10 DECDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876741956 689923618 /nfs/dbraw/zinc/92/36/18/689923618.db2.gz XJNZRKWYCCDRIG-QZJSNOFBSA-N 1 0 313.445 2.097 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(O)c1 ZINC000876742679 689923890 /nfs/dbraw/zinc/92/38/90/689923890.db2.gz RATDHYIIDDKMDK-KRWDZBQOSA-N 1 0 315.417 2.380 20 10 DECDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876752727 689926922 /nfs/dbraw/zinc/92/69/22/689926922.db2.gz XMPJBXAFQPMACS-HNNXBMFYSA-N 1 0 304.434 2.259 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2=CC[C@H]([NH3+])C2)cc1F ZINC000876756814 689927880 /nfs/dbraw/zinc/92/78/80/689927880.db2.gz ZCAWRQAHAAHOBT-AWEZNQCLSA-N 1 0 305.397 2.336 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876778968 689934857 /nfs/dbraw/zinc/93/48/57/689934857.db2.gz SZGVYUISGDDBGR-GPAKFWEMSA-N 1 0 315.417 2.034 20 10 DECDRO Cc1cc(C[NH3+])oc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873226 689960033 /nfs/dbraw/zinc/96/00/33/689960033.db2.gz ZACBSZZLNYVLDG-UHFFFAOYSA-N 1 0 301.390 2.385 20 10 DECDRO Clc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000876963602 689984059 /nfs/dbraw/zinc/98/40/59/689984059.db2.gz FSMSNAMRUWSZOM-UHFFFAOYSA-N 1 0 318.808 2.256 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1 ZINC000877009228 689996493 /nfs/dbraw/zinc/99/64/93/689996493.db2.gz JQBGTXXAJXVQMO-KRWDZBQOSA-N 1 0 312.413 2.490 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCOCC3CC3)cc2)CC1 ZINC000877026664 690001154 /nfs/dbraw/zinc/00/11/54/690001154.db2.gz DYWDSLZDRWHMIR-UHFFFAOYSA-N 1 0 304.434 2.164 20 10 DECDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C)cc1O ZINC000877423670 690108403 /nfs/dbraw/zinc/10/84/03/690108403.db2.gz IZGZPBMSUSBYII-CABCVRRESA-N 1 0 307.390 2.243 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000877465563 690121076 /nfs/dbraw/zinc/12/10/76/690121076.db2.gz BHVMCGZWZQQAAB-UHFFFAOYSA-N 1 0 311.428 2.455 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCOCC(F)F)cc2)CC1 ZINC000877467748 690122147 /nfs/dbraw/zinc/12/21/47/690122147.db2.gz NQKQBYSRHXXFKU-UHFFFAOYSA-N 1 0 314.376 2.019 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3cccnc3F)cc2)CC1 ZINC000877491216 690129686 /nfs/dbraw/zinc/12/96/86/690129686.db2.gz OLWIJEMPYHEGIE-UHFFFAOYSA-N 1 0 315.392 2.472 20 10 DECDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522624 690140023 /nfs/dbraw/zinc/14/00/23/690140023.db2.gz PPUYIKJYAHQMHJ-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO COCCOC1(C[NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877558354 690151389 /nfs/dbraw/zinc/15/13/89/690151389.db2.gz FLIVASYAUAAULD-UHFFFAOYSA-N 1 0 309.406 2.002 20 10 DECDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877560542 690152233 /nfs/dbraw/zinc/15/22/33/690152233.db2.gz UPIXODQGGBTLNG-OAHLLOKOSA-N 1 0 306.450 2.146 20 10 DECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877572361 690155851 /nfs/dbraw/zinc/15/58/51/690155851.db2.gz DHXJAENFYUAEDT-HNNXBMFYSA-N 1 0 306.450 2.241 20 10 DECDRO Cc1ccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(O)c1 ZINC000877584896 690159145 /nfs/dbraw/zinc/15/91/45/690159145.db2.gz KOMUIQPYAFKQIV-INIZCTEOSA-N 1 0 321.417 2.206 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000877673377 690186206 /nfs/dbraw/zinc/18/62/06/690186206.db2.gz FEEPPMUWMCLMDM-UHFFFAOYSA-N 1 0 322.416 2.327 20 10 DECDRO Cc1cccc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c1O ZINC000877680375 690189119 /nfs/dbraw/zinc/18/91/19/690189119.db2.gz XFVMUMNNZMFRKZ-UHFFFAOYSA-N 1 0 310.397 2.287 20 10 DECDRO COC(=O)c1oc(C[NH2+]Cc2c(O)cccc2OC)cc1C ZINC000877693103 690192926 /nfs/dbraw/zinc/19/29/26/690192926.db2.gz BBSFHSHLUVMZPE-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877752695 690215992 /nfs/dbraw/zinc/21/59/92/690215992.db2.gz ICGHVMIKECNIMG-HNNXBMFYSA-N 1 0 322.424 2.255 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC000878359892 690387236 /nfs/dbraw/zinc/38/72/36/690387236.db2.gz DBGSHRCRNOUQBE-ZIAGYGMSSA-N 1 0 323.433 2.498 20 10 DECDRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879650334 690699058 /nfs/dbraw/zinc/69/90/58/690699058.db2.gz VOPMDMOFRNEKGA-GFCCVEGCSA-N 1 0 320.414 2.151 20 10 DECDRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1O ZINC000879648812 690699343 /nfs/dbraw/zinc/69/93/43/690699343.db2.gz APNAAPJXDZEMLU-SECBINFHSA-N 1 0 311.183 2.097 20 10 DECDRO C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879649392 690699468 /nfs/dbraw/zinc/69/94/68/690699468.db2.gz PQUCZLGDNXZEDL-SJKOYZFVSA-N 1 0 324.421 2.319 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c1O ZINC000880129752 690809537 /nfs/dbraw/zinc/80/95/37/690809537.db2.gz AIEZMPPJDNQSQT-JKSUJKDBSA-N 1 0 306.381 2.402 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880235094 690846865 /nfs/dbraw/zinc/84/68/65/690846865.db2.gz YFUNTQMZDOHSDI-HNNXBMFYSA-N 1 0 307.413 2.050 20 10 DECDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccccc1O ZINC000931553868 694427639 /nfs/dbraw/zinc/42/76/39/694427639.db2.gz IGVRYGFRCWYHDT-CHWSQXEVSA-N 1 0 306.406 2.069 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC3CC3)cc2)CC1 ZINC000881850842 691173658 /nfs/dbraw/zinc/17/36/58/691173658.db2.gz HUIHQDVNZSAPOU-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881852398 691173911 /nfs/dbraw/zinc/17/39/11/691173911.db2.gz ONPHISRRUMURRO-WBVHZDCISA-N 1 0 315.461 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C3CC3)cc2)CC1 ZINC000881853191 691173966 /nfs/dbraw/zinc/17/39/66/691173966.db2.gz NBYZDQWSUKSXAM-UHFFFAOYSA-N 1 0 315.461 2.491 20 10 DECDRO CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853643 691174372 /nfs/dbraw/zinc/17/43/72/691174372.db2.gz DVFKYFNMUJXECJ-ROUUACIJSA-N 1 0 315.461 2.347 20 10 DECDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cccc(O)c1O ZINC000882625552 691330186 /nfs/dbraw/zinc/33/01/86/691330186.db2.gz CBKFJWASPCVDEJ-UHFFFAOYSA-N 1 0 306.406 2.436 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394959 691496387 /nfs/dbraw/zinc/49/63/87/691496387.db2.gz KLSIBTHPAAZNTB-WCQYABFASA-N 1 0 304.390 2.062 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c(Cl)c1 ZINC000883402290 691498467 /nfs/dbraw/zinc/49/84/67/691498467.db2.gz MWZVQXOEXNJITP-GFCCVEGCSA-N 1 0 308.809 2.455 20 10 DECDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(F)n1 ZINC000884581915 691766584 /nfs/dbraw/zinc/76/65/84/691766584.db2.gz ORUAVFUOYOFEAN-UHFFFAOYSA-N 1 0 315.396 2.288 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885940208 691967129 /nfs/dbraw/zinc/96/71/29/691967129.db2.gz DDUNOSUXVTYPSI-IEBWSBKVSA-N 1 0 316.445 2.382 20 10 DECDRO CC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001048480071 692626681 /nfs/dbraw/zinc/62/66/81/692626681.db2.gz QYGOQHVFFSEWAT-YPMHNXCESA-N 1 0 317.393 2.167 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894215353 692979554 /nfs/dbraw/zinc/97/95/54/692979554.db2.gz QOXVUTBUPYRGKT-ZDUSSCGKSA-N 1 0 308.378 2.030 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cn(C)cn1 ZINC000924748994 693180819 /nfs/dbraw/zinc/18/08/19/693180819.db2.gz DDIGVULMSYABBO-CQSZACIVSA-N 1 0 300.406 2.108 20 10 DECDRO CC[C@H]([NH2+][C@H]1CNOC1)c1cc(Br)ccc1O ZINC000925868604 693356709 /nfs/dbraw/zinc/35/67/09/693356709.db2.gz DZHRCVZOHRYDOK-ONGXEEELSA-N 1 0 301.184 2.099 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)cc1 ZINC000927152450 693562004 /nfs/dbraw/zinc/56/20/04/693562004.db2.gz USALDCFUBLAOCF-ZFWWWQNUSA-N 1 0 313.449 2.479 20 10 DECDRO O[C@]1(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CCCOC1 ZINC001332610026 1149873157 /nfs/dbraw/zinc/87/31/57/1149873157.db2.gz GBTVSPNDHBETKT-SFHVURJKSA-N 1 0 304.434 2.308 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C23CCC(CC2)[NH2+]3)cc1 ZINC001343391696 1150738882 /nfs/dbraw/zinc/73/88/82/1150738882.db2.gz LOGXNBMKYLYVSN-UHFFFAOYSA-N 1 0 301.434 2.434 20 10 DECDRO CN1C[C@H](CN(Cc2ccco2)Cc2ccccc2O)OC1=O ZINC001343890407 1150782028 /nfs/dbraw/zinc/78/20/28/1150782028.db2.gz QOIVOLLHGDRZLB-OAHLLOKOSA-N 1 0 316.357 2.438 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)[C@H](C)C1 ZINC001353539873 1151837226 /nfs/dbraw/zinc/83/72/26/1151837226.db2.gz PHGBZFQDZKHYDV-CZUORRHYSA-N 1 0 304.438 2.141 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nccc(Cl)n3)cc2)CC1 ZINC001167437110 777043532 /nfs/dbraw/zinc/04/35/32/777043532.db2.gz LBVZMBUBRMSDLU-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cncc(F)c2)cc1C ZINC001125582547 777306397 /nfs/dbraw/zinc/30/63/97/777306397.db2.gz RVGOYVFOLWIDKB-UHFFFAOYSA-N 1 0 317.364 2.057 20 10 DECDRO COC(=O)C1(C)CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028362 778133100 /nfs/dbraw/zinc/13/31/00/778133100.db2.gz LYZKCWGOLWDWAO-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCC([NH3+])CC2)c1 ZINC001160519773 790795810 /nfs/dbraw/zinc/79/58/10/790795810.db2.gz WKYCRKSUAYSYLK-UHFFFAOYSA-N 1 0 313.401 2.363 20 10 DECDRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001168236304 780483788 /nfs/dbraw/zinc/48/37/88/780483788.db2.gz VUDPTYWPICHQTI-CQSZACIVSA-N 1 0 315.369 2.112 20 10 DECDRO [NH3+]C1CN(Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001204855113 780502471 /nfs/dbraw/zinc/50/24/71/780502471.db2.gz ZPMKJNMBYMWDRJ-UHFFFAOYSA-N 1 0 307.191 2.451 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC000093691796 780627850 /nfs/dbraw/zinc/62/78/50/780627850.db2.gz FPTRLYSMFIXJDN-INIZCTEOSA-N 1 0 300.358 2.449 20 10 DECDRO C[NH2+]CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841915241 780765868 /nfs/dbraw/zinc/76/58/68/780765868.db2.gz OQVRKWGGEZRXFA-UHFFFAOYSA-N 1 0 306.454 2.282 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC000968592244 784483276 /nfs/dbraw/zinc/48/32/76/784483276.db2.gz DAQQBRFIHVRSTC-KGLIPLIRSA-N 1 0 324.371 2.349 20 10 DECDRO C[NH+](C)CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745253015 784704124 /nfs/dbraw/zinc/70/41/24/784704124.db2.gz FUHLKLRDEUWFQT-UHFFFAOYSA-N 1 0 305.422 2.022 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CO1 ZINC001169350826 785143565 /nfs/dbraw/zinc/14/35/65/785143565.db2.gz KYDBOSNOFPJXGO-BBRMVZONSA-N 1 0 307.390 2.209 20 10 DECDRO CC1(C)CC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC(C)(C)N1O ZINC001169966208 785441305 /nfs/dbraw/zinc/44/13/05/785441305.db2.gz QSHQEBAXJXVZSN-HNNXBMFYSA-N 1 0 324.421 2.132 20 10 DECDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691486700 786082159 /nfs/dbraw/zinc/08/21/59/786082159.db2.gz BZRNDQXLCPXHML-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](OC)C2CCC2)cc1C ZINC001131961068 787854961 /nfs/dbraw/zinc/85/49/61/787854961.db2.gz UIOLVOATTIHWJA-QGZVFWFLSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](CC(C)C)OC)cc1C ZINC001133454790 788437202 /nfs/dbraw/zinc/43/72/02/788437202.db2.gz SHDFMFYVTUQYSQ-QGZVFWFLSA-N 1 0 322.449 2.271 20 10 DECDRO COCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133492962 788451707 /nfs/dbraw/zinc/45/17/07/788451707.db2.gz YVOITSIQRSOKGT-GJZGRUSLSA-N 1 0 322.449 2.413 20 10 DECDRO C[NH+]1C(C)(C)CC(NC(=O)c2cc(O)c(O)c(O)c2)CC1(C)C ZINC001148589773 791778538 /nfs/dbraw/zinc/77/85/38/791778538.db2.gz KTFULTBUZVJDCB-UHFFFAOYSA-N 1 0 322.405 2.185 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC001116797121 794989223 /nfs/dbraw/zinc/98/92/23/794989223.db2.gz OPYSHTHGHOXKGY-UHFFFAOYSA-N 1 0 315.461 2.241 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2([S@@](C)=O)CCC2)cc1F ZINC001118859450 795233828 /nfs/dbraw/zinc/23/38/28/795233828.db2.gz JEBRYRQGQXQJGA-OAQYLSRUSA-N 1 0 316.417 2.422 20 10 DECDRO C[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)[NH+](C)C ZINC001180865285 795386887 /nfs/dbraw/zinc/38/68/87/795386887.db2.gz ZIWIYFORDBZJSY-VIFPVBQESA-N 1 0 307.781 2.160 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(OC)cc2O)C1 ZINC001181008644 795405152 /nfs/dbraw/zinc/40/51/52/795405152.db2.gz SWEPALXPERNPKK-GFCCVEGCSA-N 1 0 308.378 2.030 20 10 DECDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2ccc(N)cc2)C1 ZINC001120677881 795512441 /nfs/dbraw/zinc/51/24/41/795512441.db2.gz ZGNVHSYDBRKRFH-UHFFFAOYSA-N 1 0 304.438 2.190 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](COCC3CC3)C2)cc(O)c1O ZINC001204346723 795708324 /nfs/dbraw/zinc/70/83/24/795708324.db2.gz XAKPUDOXZLJCPZ-ZDUSSCGKSA-N 1 0 307.390 2.355 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C2CCCCCC2)c(O)c1 ZINC001121986168 795711964 /nfs/dbraw/zinc/71/19/64/795711964.db2.gz YTSNXEOTKVSXSS-INIZCTEOSA-N 1 0 306.406 2.315 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC001122579472 795779722 /nfs/dbraw/zinc/77/97/22/795779722.db2.gz SORHLRRJIKOTNF-HDJSIYSDSA-N 1 0 301.365 2.453 20 10 DECDRO COC(=O)c1coc(C[NH2+]Cc2c(C)cc(OC)cc2O)c1 ZINC001183135867 795812823 /nfs/dbraw/zinc/81/28/23/795812823.db2.gz DUMRMTCDINBIKV-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO COC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139669816 796079535 /nfs/dbraw/zinc/07/95/35/796079535.db2.gz PACGICZGYNCOIC-UHFFFAOYSA-N 1 0 305.422 2.335 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)cc1OC ZINC001184948365 796160400 /nfs/dbraw/zinc/16/04/00/796160400.db2.gz ZMPKVEMEQUHCBQ-UHFFFAOYSA-N 1 0 321.377 2.144 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c2ccccc2n1C ZINC001138252376 796188512 /nfs/dbraw/zinc/18/85/12/796188512.db2.gz DXMVEHIRFYBCTQ-QZTJIDSGSA-N 1 0 302.418 2.052 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)CCCO1 ZINC001138259913 796189394 /nfs/dbraw/zinc/18/93/94/796189394.db2.gz QXVPHMWFACPUAH-QGZVFWFLSA-N 1 0 316.401 2.251 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(COC(=O)N4)CC3)ccc21 ZINC001138356429 796204498 /nfs/dbraw/zinc/20/44/98/796204498.db2.gz NYUYNFRXCHKAAW-UHFFFAOYSA-N 1 0 315.417 2.143 20 10 DECDRO CC(=O)N1CCN(Cc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC001138359366 796205323 /nfs/dbraw/zinc/20/53/23/796205323.db2.gz SCUFADOHINLEKE-CQSZACIVSA-N 1 0 301.434 2.122 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@]1(C)O ZINC001138496478 796227627 /nfs/dbraw/zinc/22/76/27/796227627.db2.gz QWFUWMMXZRWUMS-CRAIPNDOSA-N 1 0 304.434 2.116 20 10 DECDRO COc1cc(CN2CCC(=O)C(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139258146 796349986 /nfs/dbraw/zinc/34/99/86/796349986.db2.gz MBMLWKBGIPJHTJ-UHFFFAOYSA-N 1 0 320.433 2.263 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccc(=O)[nH]c3)CC2)c(C)c1 ZINC001139469920 796384193 /nfs/dbraw/zinc/38/41/93/796384193.db2.gz HKQNAFFOUQDKKX-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1cc(C[NH+]2CCC(NC(=O)N(C)C)CC2)ccc1N(C)C ZINC001139673464 796407716 /nfs/dbraw/zinc/40/77/16/796407716.db2.gz HSXOIJOUFJCDSU-UHFFFAOYSA-N 1 0 318.465 2.297 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@@H]1O ZINC001140283197 796501448 /nfs/dbraw/zinc/50/14/48/796501448.db2.gz OUEVBOLJGRLHLM-BEFAXECRSA-N 1 0 318.461 2.241 20 10 DECDRO CN1CC2(CC1=O)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140341932 796508991 /nfs/dbraw/zinc/50/89/91/796508991.db2.gz LORMMVZWYFITEL-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660039 796551609 /nfs/dbraw/zinc/55/16/09/796551609.db2.gz DAJSRDDYPANIQU-GOSISDBHSA-N 1 0 322.424 2.399 20 10 DECDRO CC1(C)COCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140661512 796552470 /nfs/dbraw/zinc/55/24/70/796552470.db2.gz HIPVAHUGLHZILV-UHFFFAOYSA-N 1 0 308.397 2.273 20 10 DECDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663452 796552890 /nfs/dbraw/zinc/55/28/90/796552890.db2.gz FKNWZNCEHVWLPP-HNNXBMFYSA-N 1 0 320.408 2.463 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001140664755 796553103 /nfs/dbraw/zinc/55/31/03/796553103.db2.gz RFAWCVZCZGQLKN-GOSISDBHSA-N 1 0 320.408 2.417 20 10 DECDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2F)CC1 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CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878455 800138565 /nfs/dbraw/zinc/13/85/65/800138565.db2.gz GXIIFGOIVOKQIB-SFHVURJKSA-N 1 0 318.417 2.321 20 10 DECDRO Oc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c1 ZINC001204274592 800197503 /nfs/dbraw/zinc/19/75/03/800197503.db2.gz QAVINFHWWHBIJL-UHFFFAOYSA-N 1 0 311.385 2.366 20 10 DECDRO O[C@H]1COC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204325693 800205161 /nfs/dbraw/zinc/20/51/61/800205161.db2.gz UCVBCWJTGVMKFZ-GOSISDBHSA-N 1 0 316.445 2.403 20 10 DECDRO COc1cc(C[N@H+](C)CCc2noc(C(C)C)n2)cc(O)c1O ZINC001204342913 800206089 /nfs/dbraw/zinc/20/60/89/800206089.db2.gz OLCZNWGVYAHHSM-UHFFFAOYSA-N 1 0 321.377 2.287 20 10 DECDRO C[C@@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1[NH3+] ZINC001205868674 800434349 /nfs/dbraw/zinc/43/43/49/800434349.db2.gz NXIJDVJMFAZZMT-DYVFJYSZSA-N 1 0 315.461 2.260 20 10 DECDRO CN1CCOc2cc(CN3CCCC[C@](F)(C[NH3+])C3)ccc21 ZINC001206352054 800514948 /nfs/dbraw/zinc/51/49/48/800514948.db2.gz 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DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841988 801970798 /nfs/dbraw/zinc/97/07/98/801970798.db2.gz WCKBBIUILRWESD-CYBMUJFWSA-N 1 0 306.406 2.233 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC001232840992 801971053 /nfs/dbraw/zinc/97/10/53/801971053.db2.gz PIUUYUQXRVOTFV-SFHVURJKSA-N 1 0 313.401 2.427 20 10 DECDRO Oc1cc(CN2CC[NH+](C3CCCCC3)CC2)cc(O)c1O ZINC001233009789 802001767 /nfs/dbraw/zinc/00/17/67/802001767.db2.gz AUHRMNZXOFUCGR-UHFFFAOYSA-N 1 0 306.406 2.254 20 10 DECDRO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233015296 802003165 /nfs/dbraw/zinc/00/31/65/802003165.db2.gz IUXXTMQWQLMTJL-UHFFFAOYSA-N 1 0 316.401 2.367 20 10 DECDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001233335496 802079332 /nfs/dbraw/zinc/07/93/32/802079332.db2.gz YAXASEHJIGHMOX-UHFFFAOYSA-N 1 0 320.343 2.173 20 10 DECDRO Oc1cc(O)c(CN2CCC([NH+]3CCCCC3)CC2)cc1O ZINC001233482346 802126178 /nfs/dbraw/zinc/12/61/78/802126178.db2.gz 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ZINC001331256022 1149404107 /nfs/dbraw/zinc/40/41/07/1149404107.db2.gz XGPQJWJHQWKAJD-XGWQRUHWSA-N 1 0 304.434 2.041 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N)cc2)CCCCC1 ZINC001335360205 1150399386 /nfs/dbraw/zinc/39/93/86/1150399386.db2.gz IHYDSZYQQJYIQQ-UHFFFAOYSA-N 1 0 304.438 2.333 20 10 DECDRO COc1ccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(O)c1OC ZINC001343188595 1150707671 /nfs/dbraw/zinc/70/76/71/1150707671.db2.gz KSSJKTMNHOGNPU-ZDUSSCGKSA-N 1 0 320.433 2.326 20 10 DECDRO CCCOc1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1C ZINC001589681093 950051276 /nfs/dbraw/zinc/05/12/76/950051276.db2.gz IYYZLKDUYOSJHI-UHFFFAOYSA-N 1 0 320.433 2.422 20 10 DECDRO COCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001345275878 1150878132 /nfs/dbraw/zinc/87/81/32/1150878132.db2.gz KISWQGDCFUMXFL-UHFFFAOYSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001346173578 1150947448 /nfs/dbraw/zinc/94/74/48/1150947448.db2.gz COSYKCXWYICOCT-HUUCEWRRSA-N 1 0 318.465 2.436 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001346225542 1150953626 /nfs/dbraw/zinc/95/36/26/1150953626.db2.gz QMRDBOWBPLSQOD-UONOGXRCSA-N 1 0 304.438 2.188 20 10 DECDRO Cc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC001328224840 1148744670 /nfs/dbraw/zinc/74/46/70/1148744670.db2.gz VFMJLTNLOMLQIS-OAHLLOKOSA-N 1 0 300.406 2.127 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1O ZINC001346660512 1151012161 /nfs/dbraw/zinc/01/21/61/1151012161.db2.gz OPGJECSRYNGTLL-DDHJSBNISA-N 1 0 303.406 2.093 20 10 DECDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC001524020145 1069795121 /nfs/dbraw/zinc/79/51/21/1069795121.db2.gz XDEQOHGBSMWNDU-ZDUSSCGKSA-N 1 0 323.437 2.320 20 10 DECDRO Cc1cc(C(=O)NOCC[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC001351001527 1151446563 /nfs/dbraw/zinc/44/65/63/1151446563.db2.gz RFANJLOWMYTUGV-UHFFFAOYSA-N 1 0 319.380 2.456 20 10 DECDRO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](O)[C@@H]2C)c1 ZINC001621338706 1071300394 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CC[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001272444903 1078879572 /nfs/dbraw/zinc/87/95/72/1078879572.db2.gz GSQGHXXZCOEXRQ-GOSISDBHSA-N 1 0 301.434 2.339 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235989441 1079068192 /nfs/dbraw/zinc/06/81/92/1079068192.db2.gz KRWACVCSGFLGKT-BXUZGUMPSA-N 1 0 311.223 2.386 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)CC[NH+](C)C)cc1 ZINC001557355634 1075063306 /nfs/dbraw/zinc/06/33/06/1075063306.db2.gz HJPMKVSSQIFZFB-OAHLLOKOSA-N 1 0 321.465 2.178 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)C(C)C)cc1Cn1cccn1 ZINC001560625915 1075143650 /nfs/dbraw/zinc/14/36/50/1075143650.db2.gz SRPOWXJSPSSRQN-INIZCTEOSA-N 1 0 303.406 2.047 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c(O)c1 ZINC001561021403 1075149895 /nfs/dbraw/zinc/14/98/95/1075149895.db2.gz LCDHUQUVNBPVTL-HNNXBMFYSA-N 1 0 320.433 2.052 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2ccnc2)c1 ZINC001596252420 1077075536 /nfs/dbraw/zinc/07/55/36/1077075536.db2.gz MTALZNOLCKRGAX-UHFFFAOYSA-N 1 0 309.325 2.465 20 10 DECDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC001652321179 1079868803 /nfs/dbraw/zinc/86/88/03/1079868803.db2.gz KZOSQNUFMOBVFC-ONGXEEELSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC001658123377 1080197824 /nfs/dbraw/zinc/19/78/24/1080197824.db2.gz URUULCFCRWUPJI-HOCLYGCPSA-N 1 0 302.418 2.364 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC001659017959 1080225308 /nfs/dbraw/zinc/22/53/08/1080225308.db2.gz BIVOLLDVEMDTHN-RDTXWAMCSA-N 1 0 321.417 2.479 20 10 DECDRO OC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC001662084082 1080566809 /nfs/dbraw/zinc/56/68/09/1080566809.db2.gz WHLUFNVPJNYMEF-AEFFLSMTSA-N 1 0 304.434 2.164 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2CCCCC23OCCO3)cc1OC ZINC001665901138 1081094598 /nfs/dbraw/zinc/09/45/98/1081094598.db2.gz NPHIYCVTADEZBH-INIZCTEOSA-N 1 0 323.389 2.185 20 10 DECDRO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc(O)c(O)c3)CC2)C1 ZINC001270038044 1081435852 /nfs/dbraw/zinc/43/58/52/1081435852.db2.gz RTRMDUGBLJGNJA-UHFFFAOYSA-N 1 0 304.390 2.046 20 10 DECDRO CCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482263093 1081443708 /nfs/dbraw/zinc/44/37/08/1081443708.db2.gz VGBRFXCUVAGFCF-CABCVRRESA-N 1 0 322.449 2.365 20 10 DECDRO CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266926859 1082457441 /nfs/dbraw/zinc/45/74/41/1082457441.db2.gz RFFAGDQTTSGQFN-ZIAGYGMSSA-N 1 0 308.422 2.023 20 10 DECDRO Oc1cc(CN2CC3(CC[N@@H+]3C3CCCC3)C2)cc(O)c1O ZINC001276833745 1083638250 /nfs/dbraw/zinc/63/82/50/1083638250.db2.gz SNTZOOXVQOKVDG-UHFFFAOYSA-N 1 0 304.390 2.006 20 10 DECDRO Oc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc(O)c1O ZINC001276833999 1083638533 /nfs/dbraw/zinc/63/85/33/1083638533.db2.gz XHAZLKWWKDWKKT-GJZGRUSLSA-N 1 0 318.417 2.395 20 10 DECDRO COc1ccc(C[NH2+]C23CC(C(=O)N4CC=CC4)(C2)C3)cc1C ZINC001276929127 1083685864 /nfs/dbraw/zinc/68/58/64/1083685864.db2.gz LUTWIHMKFWYVPJ-UHFFFAOYSA-N 1 0 312.413 2.414 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4CC[C@H](C3)[C@H]4C(N)=O)ccc21 ZINC001277254412 1083875586 /nfs/dbraw/zinc/87/55/86/1083875586.db2.gz RSVZFLHYYGTUMN-ALXJQNPVSA-N 1 0 313.445 2.012 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001277441940 1083971504 /nfs/dbraw/zinc/97/15/04/1083971504.db2.gz RUCNPENRVJFWGU-QAPCUYQASA-N 1 0 302.418 2.473 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCN3CC[NH2+]C[C@H]3C2)cc1 ZINC001234977059 1084257705 /nfs/dbraw/zinc/25/77/05/1084257705.db2.gz YTKATWGHTQBEFM-FQEVSTJZSA-N 1 0 324.472 2.184 20 10 DECDRO CC[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CC[NH2+]1 ZINC001235729844 1084513269 /nfs/dbraw/zinc/51/32/69/1084513269.db2.gz DYUKFFNJKLXLII-NSHDSACASA-N 1 0 304.312 2.475 20 10 DECDRO CC[C@H]1C[NH2+]CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001235773963 1084524378 /nfs/dbraw/zinc/52/43/78/1084524378.db2.gz PQOZSHGTXQLAJE-JTQLQIEISA-N 1 0 304.312 2.475 20 10 DECDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117784496 1086293046 /nfs/dbraw/zinc/29/30/46/1086293046.db2.gz JTGXMEJHGGAVRF-AWEZNQCLSA-N 1 0 309.429 2.092 20 10 DECDRO CC(C)C(=O)NCC[NH2+]Cc1c(O)cccc1Br ZINC000706807832 1086652081 /nfs/dbraw/zinc/65/20/81/1086652081.db2.gz HUCFUIKDVNBRMZ-UHFFFAOYSA-N 1 0 315.211 2.017 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c(O)c1OC ZINC001352007545 1151653175 /nfs/dbraw/zinc/65/31/75/1151653175.db2.gz YGAGTQIHGKNWEW-MJBXVCDLSA-N 1 0 307.390 2.457 20 10 DECDRO C[N@@H+]1CCC2(CN(Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001276829823 1138329132 /nfs/dbraw/zinc/32/91/32/1138329132.db2.gz BFKQOYJCHAGRCX-UHFFFAOYSA-N 1 0 316.323 2.428 20 10 DECDRO COc1ccc(N2CCN(C[C@H]3CCCC[NH2+]3)CC2)c(C)c1 ZINC001236367307 1138356569 /nfs/dbraw/zinc/35/65/69/1138356569.db2.gz NCCVSCCARPQWMQ-MRXNPFEDSA-N 1 0 303.450 2.268 20 10 DECDRO Cc1cc(CN2C[C@@H]3CC[C@H]2C[NH2+]3)c(O)cc1Br ZINC001236427901 1138361193 /nfs/dbraw/zinc/36/11/93/1138361193.db2.gz BIDYMVRCYBORLD-RYUDHWBXSA-N 1 0 311.223 2.399 20 10 DECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236769589 1138423337 /nfs/dbraw/zinc/42/33/37/1138423337.db2.gz WOLMPZCKZYYCCW-JTQLQIEISA-N 1 0 316.195 2.471 20 10 DECDRO COC(=O)C1(C)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236755218 1138406952 /nfs/dbraw/zinc/40/69/52/1138406952.db2.gz AAJFAFFTFRGHTC-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(O)c(C[NH+]2CC(c3cccnc3)C2)cc1OC ZINC001236752392 1138409546 /nfs/dbraw/zinc/40/95/46/1138409546.db2.gz QRKVWJLTUJMVDY-UHFFFAOYSA-N 1 0 300.358 2.404 20 10 DECDRO COC[C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236763387 1138417420 /nfs/dbraw/zinc/41/74/20/1138417420.db2.gz YRKKNFCCRNKWQW-VIFPVBQESA-N 1 0 316.195 2.329 20 10 DECDRO CNC(=O)CN(C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236780192 1138425157 /nfs/dbraw/zinc/42/51/57/1138425157.db2.gz ZASCTEFTBGEUBW-UHFFFAOYSA-N 1 0 314.385 2.149 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001236808923 1138434966 /nfs/dbraw/zinc/43/49/66/1138434966.db2.gz RYZMMJYVAJZTJC-MFKMUULPSA-N 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ZINC001253203591 1142853441 /nfs/dbraw/zinc/85/34/41/1142853441.db2.gz IWCYZPOJTDVXMN-SFHVURJKSA-N 1 0 305.466 2.079 20 10 DECDRO Oc1ccc(C[NH2+]C[C@H](O)CCOCc2ccccc2)cc1O ZINC001253294233 1142861765 /nfs/dbraw/zinc/86/17/65/1142861765.db2.gz QEEBMKFMRWMAIS-MRXNPFEDSA-N 1 0 317.385 2.155 20 10 DECDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC001254388888 1143098367 /nfs/dbraw/zinc/09/83/67/1143098367.db2.gz KSXMZQGCKLZTPB-KRWDZBQOSA-N 1 0 320.433 2.013 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC001254961962 1143373567 /nfs/dbraw/zinc/37/35/67/1143373567.db2.gz BREAZXHQUOYCLA-GOSISDBHSA-N 1 0 318.417 2.099 20 10 DECDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001255338552 1143564438 /nfs/dbraw/zinc/56/44/38/1143564438.db2.gz NBXBZTMNWNQCQI-STQMWFEESA-N 1 0 323.389 2.057 20 10 DECDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001341466683 1143608031 /nfs/dbraw/zinc/60/80/31/1143608031.db2.gz PKBDNUJACOXBOZ-LBPRGKRZSA-N 1 0 311.813 2.329 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001341510698 1143618330 /nfs/dbraw/zinc/61/83/30/1143618330.db2.gz OKHFEZJEOFGCGB-MRXNPFEDSA-N 1 0 313.401 2.096 20 10 DECDRO Oc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC001256582088 1143855259 /nfs/dbraw/zinc/85/52/59/1143855259.db2.gz GEFGWRNBXYTCGH-UHFFFAOYSA-N 1 0 313.401 2.247 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001263110853 1144356919 /nfs/dbraw/zinc/35/69/19/1144356919.db2.gz JQFOJWAHNKXPMP-TWMKSMIVSA-N 1 0 301.434 2.084 20 10 DECDRO CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001282242722 1145021477 /nfs/dbraw/zinc/02/14/77/1145021477.db2.gz SQSBNVFGVWMWMW-QWRGUYRKSA-N 1 0 305.382 2.355 20 10 DECDRO CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317072612 1147656037 /nfs/dbraw/zinc/65/60/37/1147656037.db2.gz HIFVPLOZAXYCCN-WKILWMFISA-N 1 0 320.433 2.167 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC1CCOCC1 ZINC001324670639 1147828658 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CN(C)c1ccc(CNC(=O)C[N@H+](C)CC2CCCC2)cc1 ZINC000064021023 354661349 /nfs/dbraw/zinc/66/13/49/354661349.db2.gz RXTIQNWOINXBIW-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CN(C)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093394574 193243191 /nfs/dbraw/zinc/24/31/91/193243191.db2.gz MKWNUUZEVZXZTE-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000294860737 224270389 /nfs/dbraw/zinc/27/03/89/224270389.db2.gz SZPASDZLJKJGIS-CYBMUJFWSA-N 1 0 311.447 2.484 20 10 DECDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274835901 130267341 /nfs/dbraw/zinc/26/73/41/130267341.db2.gz VGMSPFBTAMESHY-AWEZNQCLSA-N 1 0 302.422 2.446 20 10 DECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274911253 130273515 /nfs/dbraw/zinc/27/35/15/130273515.db2.gz IZLWAIWPIZCWMT-NEPJUHHUSA-N 1 0 308.422 2.312 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1O ZINC000285613946 131185918 /nfs/dbraw/zinc/18/59/18/131185918.db2.gz XQEMJMKNCLFXTG-MLGOLLRUSA-N 1 0 306.406 2.184 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1F ZINC000285860770 131206468 /nfs/dbraw/zinc/20/64/68/131206468.db2.gz YVUKKOIWYXZZTA-KBXCAEBGSA-N 1 0 319.424 2.288 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000289380590 131380598 /nfs/dbraw/zinc/38/05/98/131380598.db2.gz MLFSQZRWYAREMS-UHFFFAOYSA-N 1 0 315.797 2.075 20 10 DECDRO COCCN(CC[NH+](C)C)Cc1cc(Cl)cc(OC)c1O ZINC000289481689 131389830 /nfs/dbraw/zinc/38/98/30/131389830.db2.gz QQBMITWYTWBZNE-UHFFFAOYSA-N 1 0 316.829 2.064 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)[N@H+]1C ZINC000297177831 132003211 /nfs/dbraw/zinc/00/32/11/132003211.db2.gz KDQVQLTXJJXESL-BETUJISGSA-N 1 0 322.428 2.126 20 10 DECDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[NH+](C)C)cc1 ZINC000298699626 132073798 /nfs/dbraw/zinc/07/37/98/132073798.db2.gz IKIKIVCLCIZUMB-UHFFFAOYSA-N 1 0 315.417 2.436 20 10 DECDRO O=C(C1CC1)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000119092844 401925418 /nfs/dbraw/zinc/92/54/18/401925418.db2.gz PVACPWVYLBNRRB-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO COc1ccc(N2CC[NH+](CC3CCOCC3)CC2)cc1F ZINC000084866153 401911179 /nfs/dbraw/zinc/91/11/79/401911179.db2.gz KEFBQWMLPBLNHY-UHFFFAOYSA-N 1 0 308.397 2.383 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1cccs1 ZINC000121148347 402017646 /nfs/dbraw/zinc/01/76/46/402017646.db2.gz APIRTSIGVBQWKP-AWEZNQCLSA-N 1 0 307.415 2.463 20 10 DECDRO C[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccccc1O ZINC000109773644 402276213 /nfs/dbraw/zinc/27/62/13/402276213.db2.gz WFQCXSGNCJPZRB-UHFFFAOYSA-N 1 0 316.426 2.470 20 10 DECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184682062 402291489 /nfs/dbraw/zinc/29/14/89/402291489.db2.gz ULKYNBFKARXSOF-SECBINFHSA-N 1 0 301.770 2.295 20 10 DECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000230199063 402349216 /nfs/dbraw/zinc/34/92/16/402349216.db2.gz GESALUAUCSIBSI-XLFHBGCDSA-N 1 0 320.252 2.401 20 10 DECDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(O)c1O ZINC000185897924 402387679 /nfs/dbraw/zinc/38/76/79/402387679.db2.gz LJSSUHIIRJUDTH-UHFFFAOYSA-N 1 0 318.417 2.482 20 10 DECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nnc2ccccn21 ZINC000237535025 402411856 /nfs/dbraw/zinc/41/18/56/402411856.db2.gz SONQDIYXTFYVMJ-JTQLQIEISA-N 1 0 312.329 2.014 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(C)o1 ZINC000177567065 402416289 /nfs/dbraw/zinc/41/62/89/402416289.db2.gz LLJFBLPBXBFNCU-GFCCVEGCSA-N 1 0 305.330 2.500 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000186375646 402426037 /nfs/dbraw/zinc/42/60/37/402426037.db2.gz PFVNZPFDYRRECQ-KBPBESRZSA-N 1 0 307.390 2.273 20 10 DECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186809066 402465804 /nfs/dbraw/zinc/46/58/04/402465804.db2.gz ALTMTPSERPDIBM-SECBINFHSA-N 1 0 315.211 2.284 20 10 DECDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2O)C[C@H](C)O1 ZINC000179563594 402594645 /nfs/dbraw/zinc/59/46/45/402594645.db2.gz FUXUZJBDJDRDCR-UXLLHSPISA-N 1 0 304.434 2.466 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000179623858 402596628 /nfs/dbraw/zinc/59/66/28/402596628.db2.gz OSDVTWGYQZSLDT-UHFFFAOYSA-N 1 0 317.477 2.297 20 10 DECDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278824293 402875195 /nfs/dbraw/zinc/87/51/95/402875195.db2.gz OKQQVSQEGKYCAY-KGLIPLIRSA-N 1 0 310.413 2.474 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000271965476 402887921 /nfs/dbraw/zinc/88/79/21/402887921.db2.gz ZZYDELJHYSCBLS-AWEZNQCLSA-N 1 0 319.376 2.481 20 10 DECDRO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)c(C)n1-c1ccccn1 ZINC000279910768 402965215 /nfs/dbraw/zinc/96/52/15/402965215.db2.gz FLUWHRCVOSIPRX-UHFFFAOYSA-N 1 0 324.428 2.481 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1F ZINC000280398339 402995958 /nfs/dbraw/zinc/99/59/58/402995958.db2.gz XOBTXTWPOZYILO-KRWDZBQOSA-N 1 0 307.413 2.369 20 10 DECDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000280884141 403046873 /nfs/dbraw/zinc/04/68/73/403046873.db2.gz 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COc1cc(C)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000894866471 637274058 /nfs/dbraw/zinc/27/40/58/637274058.db2.gz RPMBIJKDQXXQGP-QZTJIDSGSA-N 1 0 321.417 2.119 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000895008398 637380124 /nfs/dbraw/zinc/38/01/24/637380124.db2.gz WVWZHECAXLJAAI-ZDUSSCGKSA-N 1 0 302.378 2.207 20 10 DECDRO C[C@H](F)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895052171 637422544 /nfs/dbraw/zinc/42/25/44/637422544.db2.gz SKDUUZLSCRMGHU-XJKSGUPXSA-N 1 0 324.444 2.403 20 10 DECDRO COC(=O)c1c(C[N@H+](C)[C@@H](C)CCO)c2cc(F)ccc2n1C ZINC000895149601 637671095 /nfs/dbraw/zinc/67/10/95/637671095.db2.gz MCEGXCBUEFFTMH-NSHDSACASA-N 1 0 322.380 2.307 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCCCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000895152283 637676168 /nfs/dbraw/zinc/67/61/68/637676168.db2.gz ZPYWSZMVTCPWBS-GFCCVEGCSA-N 1 0 310.350 2.046 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2ccnn2C)cc1 ZINC000839178928 637811410 /nfs/dbraw/zinc/81/14/10/637811410.db2.gz 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CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000754870117 639487285 /nfs/dbraw/zinc/48/72/85/639487285.db2.gz GEEYMYGWKZHCKE-UHFFFAOYSA-N 1 0 305.353 2.492 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756535541 639670361 /nfs/dbraw/zinc/67/03/61/639670361.db2.gz QYNFVXAKZMTLTP-MWLCHTKSSA-N 1 0 301.383 2.104 20 10 DECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756578060 639677606 /nfs/dbraw/zinc/67/76/06/639677606.db2.gz WJNZKKNXUVQGDH-NOZJJQNGSA-N 1 0 318.211 2.203 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000756662173 639683602 /nfs/dbraw/zinc/68/36/02/639683602.db2.gz XGOYHPSZGJNZMQ-OLZOCXBDSA-N 1 0 305.374 2.496 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000756864341 639706080 /nfs/dbraw/zinc/70/60/80/639706080.db2.gz XKGKMGUZGKCBTL-ZWKOTPCHSA-N 1 0 314.385 2.320 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)c1 ZINC000839540341 639752686 /nfs/dbraw/zinc/75/26/86/639752686.db2.gz TVOCLNSKTDDMOJ-GFCCVEGCSA-N 1 0 318.373 2.303 20 10 DECDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000841653159 650530214 /nfs/dbraw/zinc/53/02/14/650530214.db2.gz HKBUAMKXHROIMF-ZDUSSCGKSA-N 1 0 304.438 2.021 20 10 DECDRO CC1CC[NH+](CCCNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841662990 650532741 /nfs/dbraw/zinc/53/27/41/650532741.db2.gz QKXZBZSNJRYPGE-UHFFFAOYSA-N 1 0 318.465 2.233 20 10 DECDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000757864221 639890178 /nfs/dbraw/zinc/89/01/78/639890178.db2.gz GKQPKWWYPNLYGV-UHFFFAOYSA-N 1 0 318.465 2.380 20 10 DECDRO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@H]1CCNC1=O ZINC000758405776 639956764 /nfs/dbraw/zinc/95/67/64/639956764.db2.gz BXOJTYMJKJIUBW-ZDUSSCGKSA-N 1 0 314.385 2.338 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841717912 650550591 /nfs/dbraw/zinc/55/05/91/650550591.db2.gz OGEIWQMFWGABKI-CQSZACIVSA-N 1 0 306.454 2.330 20 10 DECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862397478 640078556 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CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000841758814 650557909 /nfs/dbraw/zinc/55/79/09/650557909.db2.gz DFPCAMUBBPLZFJ-HIFRSBDPSA-N 1 0 322.428 2.161 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000841799579 650567476 /nfs/dbraw/zinc/56/74/76/650567476.db2.gz XZSIIOQCVWRRHX-VXGBXAGGSA-N 1 0 310.417 2.207 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000841799573 650567707 /nfs/dbraw/zinc/56/77/07/650567707.db2.gz XZSIIOQCVWRRHX-NEPJUHHUSA-N 1 0 310.417 2.207 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000841829141 650574054 /nfs/dbraw/zinc/57/40/54/650574054.db2.gz XYRPQZCUKGNKTA-ZBFHGGJFSA-N 1 0 318.465 2.330 20 10 DECDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000841831075 650574761 /nfs/dbraw/zinc/57/47/61/650574761.db2.gz ASDCWSXKAMDUTI-CVEARBPZSA-N 1 0 314.433 2.132 20 10 DECDRO COc1ccc(N2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC000729283025 640435428 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CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000841949012 650609702 /nfs/dbraw/zinc/60/97/02/650609702.db2.gz YFGPDMIBDLLMJO-QGZVFWFLSA-N 1 0 318.465 2.412 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000841954836 650611244 /nfs/dbraw/zinc/61/12/44/650611244.db2.gz WKUFSEKARXEMOO-VXGBXAGGSA-N 1 0 309.410 2.134 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000897623797 640873849 /nfs/dbraw/zinc/87/38/49/640873849.db2.gz KCILOBIRJZRMIF-YJBOKZPZSA-N 1 0 301.434 2.148 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000897623856 640874175 /nfs/dbraw/zinc/87/41/75/640874175.db2.gz MHXILBOHMATQKZ-LIHUFFQZSA-N 1 0 313.445 2.353 20 10 DECDRO C[C@@H](CC[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841966957 650615404 /nfs/dbraw/zinc/61/54/04/650615404.db2.gz ILWPEHQZBBYQSX-ZDUSSCGKSA-N 1 0 317.389 2.434 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)cc1 ZINC000766532017 640892443 /nfs/dbraw/zinc/89/24/43/640892443.db2.gz UKQZXGWGJDALPX-ZDUSSCGKSA-N 1 0 312.417 2.487 20 10 DECDRO Cc1cc(O)c(CN2CCN(C)CC[N@@H+](C)CC2)c(Cl)c1 ZINC000897858876 640954419 /nfs/dbraw/zinc/95/44/19/640954419.db2.gz NSZOQILUNGNRAC-UHFFFAOYSA-N 1 0 311.857 2.033 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000768243148 641062532 /nfs/dbraw/zinc/06/25/32/641062532.db2.gz GUUFRCBKQGURBL-GFCCVEGCSA-N 1 0 322.405 2.500 20 10 DECDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768438628 641080961 /nfs/dbraw/zinc/08/09/61/641080961.db2.gz CVOWKCRYAAUKCB-OAHLLOKOSA-N 1 0 304.346 2.055 20 10 DECDRO COc1cc(O)c(CN(C)CC(C)(C)C[NH+](C)C)cc1OC ZINC000898308088 641096940 /nfs/dbraw/zinc/09/69/40/641096940.db2.gz NKDDLEKEQNSDAV-UHFFFAOYSA-N 1 0 310.438 2.429 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000769022566 641156549 /nfs/dbraw/zinc/15/65/49/641156549.db2.gz PUKPHFLQICDHDT-UHFFFAOYSA-N 1 0 303.431 2.475 20 10 DECDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000089514691 641191044 /nfs/dbraw/zinc/19/10/44/641191044.db2.gz MLHLFVOHVJOVNA-HNNXBMFYSA-N 1 0 300.406 2.071 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC000769334365 641220590 /nfs/dbraw/zinc/22/05/90/641220590.db2.gz NYSHDVPZHYGHQY-AWEZNQCLSA-N 1 0 302.378 2.220 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000769934801 641310381 /nfs/dbraw/zinc/31/03/81/641310381.db2.gz PMTZCPHUXIYZMS-QGZVFWFLSA-N 1 0 318.442 2.408 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000927103410 641629056 /nfs/dbraw/zinc/62/90/56/641629056.db2.gz PTZZLXXYSNDKCF-UKRRQHHQSA-N 1 0 320.433 2.305 20 10 DECDRO Cc1nnsc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449330 641660636 /nfs/dbraw/zinc/66/06/36/641660636.db2.gz BLWTURYAAGWPGK-OAHLLOKOSA-N 1 0 319.478 2.305 20 10 DECDRO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451854 641662203 /nfs/dbraw/zinc/66/22/03/641662203.db2.gz PGOXOQAJTFBUAB-QGZVFWFLSA-N 1 0 301.438 2.177 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC23CC3)[NH+](C)C)cc1 ZINC000899097678 641930833 /nfs/dbraw/zinc/93/08/33/641930833.db2.gz DYTYQTCOTLMLNP-HOTGVXAUSA-N 1 0 316.449 2.207 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(C)(C)C2)[NH+](C)C)cc1 ZINC000899105256 641936028 /nfs/dbraw/zinc/93/60/28/641936028.db2.gz VYYPGZNLTLSKGO-INIZCTEOSA-N 1 0 318.465 2.407 20 10 DECDRO CCN(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100719 641941832 /nfs/dbraw/zinc/94/18/32/641941832.db2.gz CGBLHIZBOQYZEE-MRXNPFEDSA-N 1 0 306.454 2.407 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H]2C)c1 ZINC000775370876 642036395 /nfs/dbraw/zinc/03/63/95/642036395.db2.gz JNZBTMNITZXADR-QWHCGFSZSA-N 1 0 306.406 2.452 20 10 DECDRO CCOc1ccc(C[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC000775375355 642036604 /nfs/dbraw/zinc/03/66/04/642036604.db2.gz QXSBKWPLDBNGNR-UHFFFAOYSA-N 1 0 315.435 2.095 20 10 DECDRO C[NH+]1CCN(c2ccc(/C=C3\c4ccncc4NC3=O)cc2)CC1 ZINC000899421973 642063544 /nfs/dbraw/zinc/06/35/44/642063544.db2.gz LZLHCGLWCAVHJG-SFQUDFHCSA-N 1 0 320.396 2.326 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1 ZINC000775657866 642074186 /nfs/dbraw/zinc/07/41/86/642074186.db2.gz AJVLPFQSFGXUEI-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CS[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1[NH+]1CCCC1 ZINC000776215792 642145328 /nfs/dbraw/zinc/14/53/28/642145328.db2.gz KCIMTHMACLSGDQ-AAEUAGOBSA-N 1 0 312.460 2.106 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771745 642207314 /nfs/dbraw/zinc/20/73/14/642207314.db2.gz JBJDVQWEWJKZOB-RDJZCZTQSA-N 1 0 319.401 2.209 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000776901678 642216219 /nfs/dbraw/zinc/21/62/19/642216219.db2.gz MAMUFSKHGKJYRJ-OLZOCXBDSA-N 1 0 310.413 2.472 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)[C@H](O)CO2 ZINC000777554798 642280213 /nfs/dbraw/zinc/28/02/13/642280213.db2.gz JBSGIIOYDISLBF-RHSMWYFYSA-N 1 0 319.401 2.209 20 10 DECDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000779219041 642473527 /nfs/dbraw/zinc/47/35/27/642473527.db2.gz KWJDAMSLHSLWGI-KRWDZBQOSA-N 1 0 308.397 2.009 20 10 DECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000781905396 642796803 /nfs/dbraw/zinc/79/68/03/642796803.db2.gz OCSQPQQQVXZQRE-JTQLQIEISA-N 1 0 300.196 2.277 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000782980748 642949728 /nfs/dbraw/zinc/94/97/28/642949728.db2.gz WWOJKKFBUBTOGR-DTWKUNHWSA-N 1 0 318.211 2.412 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000782980750 642949734 /nfs/dbraw/zinc/94/97/34/642949734.db2.gz WWOJKKFBUBTOGR-IUCAKERBSA-N 1 0 318.211 2.412 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2F)CC1 ZINC000783600866 643026014 /nfs/dbraw/zinc/02/60/14/643026014.db2.gz PSVCYOJDBXODKR-CQSZACIVSA-N 1 0 322.424 2.303 20 10 DECDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000902445462 643040538 /nfs/dbraw/zinc/04/05/38/643040538.db2.gz LZCGDNAXFLWFFU-GUYCJALGSA-N 1 0 321.440 2.311 20 10 DECDRO CCn1cnc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000902724107 643121322 /nfs/dbraw/zinc/12/13/22/643121322.db2.gz SAAAPMPXWYVCII-GOSISDBHSA-N 1 0 315.465 2.362 20 10 DECDRO C[C@H]([NH2+]CCCc1nnnn1C)c1ccc2ccccc2c1O ZINC000903348631 643322960 /nfs/dbraw/zinc/32/29/60/643322960.db2.gz HLRWNYDUQPGWGW-LBPRGKRZSA-N 1 0 311.389 2.352 20 10 DECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903400758 643344598 /nfs/dbraw/zinc/34/45/98/643344598.db2.gz WJLIWBHACVDIEF-DVOMOZLQSA-N 1 0 308.397 2.348 20 10 DECDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447704 643354639 /nfs/dbraw/zinc/35/46/39/643354639.db2.gz BMIYUWQZNZMYCQ-RDTXWAMCSA-N 1 0 315.465 2.440 20 10 DECDRO CC(=O)c1cc(F)cc(CN[C@H]2CC[NH2+]C23CCCC3)c1O ZINC000903485319 643363308 /nfs/dbraw/zinc/36/33/08/643363308.db2.gz MBHMPQSBUOZITH-HNNXBMFYSA-N 1 0 306.381 2.498 20 10 DECDRO COc1ccc(N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000903726191 643440817 /nfs/dbraw/zinc/44/08/17/643440817.db2.gz KKVYGPCJPSSIOB-HNNXBMFYSA-N 1 0 320.433 2.299 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000787235655 643469775 /nfs/dbraw/zinc/46/97/75/643469775.db2.gz ATONEHVYLNCJNP-AAEUAGOBSA-N 1 0 300.358 2.324 20 10 DECDRO CCOc1ccc(O)c(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903973198 643530945 /nfs/dbraw/zinc/53/09/45/643530945.db2.gz BCSMLDZVFJXXJJ-OAHLLOKOSA-N 1 0 320.433 2.039 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903981506 643535189 /nfs/dbraw/zinc/53/51/89/643535189.db2.gz DSOSUJHEPXYOCV-ZIAGYGMSSA-N 1 0 301.356 2.382 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1cnnn1C)c1ccc(N2CCOCC2)cc1 ZINC000924796377 643607620 /nfs/dbraw/zinc/60/76/20/643607620.db2.gz VJJZHWMMPZJVNS-KGLIPLIRSA-N 1 0 315.421 2.064 20 10 DECDRO CCOc1cccc(C[NH2+]Cc2cccn(CC)c2=O)c1O ZINC000788524420 643620228 /nfs/dbraw/zinc/62/02/28/643620228.db2.gz NHLIOAQXDTXRGC-UHFFFAOYSA-N 1 0 302.374 2.262 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788784130 643645225 /nfs/dbraw/zinc/64/52/25/643645225.db2.gz OYQDGRZISPUHIW-HUUCEWRRSA-N 1 0 311.422 2.074 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCO1 ZINC000789777528 643775386 /nfs/dbraw/zinc/77/53/86/643775386.db2.gz WMMQCUSCIZVFDZ-QWHCGFSZSA-N 1 0 315.797 2.338 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000790388681 643846280 /nfs/dbraw/zinc/84/62/80/643846280.db2.gz CFYHPOLGHVFOPE-AWEZNQCLSA-N 1 0 321.417 2.479 20 10 DECDRO CCn1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000790450984 643854681 /nfs/dbraw/zinc/85/46/81/643854681.db2.gz LFOXOHFZMZAJFC-MRXNPFEDSA-N 1 0 302.374 2.271 20 10 DECDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000791007048 643919122 /nfs/dbraw/zinc/91/91/22/643919122.db2.gz IKQKVPKXPMMWFN-VIFPVBQESA-N 1 0 315.211 2.029 20 10 DECDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000791208410 643940485 /nfs/dbraw/zinc/94/04/85/643940485.db2.gz IUAIMIDPCRVQQO-RHSMWYFYSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793012395 644180289 /nfs/dbraw/zinc/18/02/89/644180289.db2.gz LIGDTWRUUBKGHO-SECBINFHSA-N 1 0 303.328 2.125 20 10 DECDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000843120568 650900141 /nfs/dbraw/zinc/90/01/41/650900141.db2.gz QEESPFHITBEWRU-KRWDZBQOSA-N 1 0 313.401 2.332 20 10 DECDRO COc1c[nH+]ccc1N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000793371790 644240852 /nfs/dbraw/zinc/24/08/52/644240852.db2.gz YXMYKYHDSLRAGA-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000794710594 644464841 /nfs/dbraw/zinc/46/48/41/644464841.db2.gz ZBTHTZREMLDGPI-CXAGYDPISA-N 1 0 307.390 2.089 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000795630316 644608634 /nfs/dbraw/zinc/60/86/34/644608634.db2.gz GJEZQAYRTKLGAP-GOSISDBHSA-N 1 0 314.385 2.322 20 10 DECDRO NC(=O)[C@@H](c1ccc(F)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350242 650954684 /nfs/dbraw/zinc/95/46/84/650954684.db2.gz QOTZZZIOSAEYPD-QGZVFWFLSA-N 1 0 313.376 2.264 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000843386785 650963685 /nfs/dbraw/zinc/96/36/85/650963685.db2.gz NMULADRVTDIIHG-ABAIWWIYSA-N 1 0 308.809 2.432 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000843433682 650974897 /nfs/dbraw/zinc/97/48/97/650974897.db2.gz GKXNSODOADSRNR-MXTKCAFNSA-N 1 0 315.417 2.196 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC[NH2+]CC1 ZINC000843485001 650982936 /nfs/dbraw/zinc/98/29/36/650982936.db2.gz GHLCYHAITONSCR-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000105263375 650999268 /nfs/dbraw/zinc/99/92/68/650999268.db2.gz GZRMQABEONZZAS-NWDGAFQWSA-N 1 0 321.421 2.244 20 10 DECDRO CCC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802657062 645540556 /nfs/dbraw/zinc/54/05/56/645540556.db2.gz YDWLLXIWXRLDQK-GFCCVEGCSA-N 1 0 310.781 2.015 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1)[C@@H](O)CO2 ZINC000840092293 645943992 /nfs/dbraw/zinc/94/39/92/645943992.db2.gz ATZNMCIOCXZPMF-YOEHRIQHSA-N 1 0 319.401 2.209 20 10 DECDRO NC(=O)c1c[nH+]ccc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000808089832 646029764 /nfs/dbraw/zinc/02/97/64/646029764.db2.gz LBMQWYYTRUJHRN-UHFFFAOYSA-N 1 0 312.156 2.227 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000808229605 646058991 /nfs/dbraw/zinc/05/89/91/646058991.db2.gz SUSKIYKTCGCWSE-GFCCVEGCSA-N 1 0 320.433 2.396 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000808446243 646085984 /nfs/dbraw/zinc/08/59/84/646085984.db2.gz JIKGMSBDLCPGPF-HRCADAONSA-N 1 0 318.417 2.137 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000809620480 646248911 /nfs/dbraw/zinc/24/89/11/646248911.db2.gz QUBAJZUXHIFQHR-UHFFFAOYSA-N 1 0 322.386 2.193 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697823 646265632 /nfs/dbraw/zinc/26/56/32/646265632.db2.gz PBAVMUWQNBVHLI-ZYHUDNBSSA-N 1 0 319.323 2.394 20 10 DECDRO CCOc1cccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000809738070 646271989 /nfs/dbraw/zinc/27/19/89/646271989.db2.gz RDKYSEQLOVBXII-INIZCTEOSA-N 1 0 322.449 2.334 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1F ZINC000167743749 646567458 /nfs/dbraw/zinc/56/74/58/646567458.db2.gz MKVUFAIYGPYDII-CQSZACIVSA-N 1 0 307.413 2.430 20 10 DECDRO C[NH+]1CCC(CC(=O)NCCCSc2nccs2)CC1 ZINC000813451725 646772139 /nfs/dbraw/zinc/77/21/39/646772139.db2.gz NYSWQILKEALCLL-UHFFFAOYSA-N 1 0 313.492 2.473 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000324103377 647014206 /nfs/dbraw/zinc/01/42/06/647014206.db2.gz LVIVDACCRQMQIX-LJQANCHMSA-N 1 0 323.440 2.426 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2O ZINC000815639973 647037358 /nfs/dbraw/zinc/03/73/58/647037358.db2.gz MIBUZXHWMZCBQE-MFKMUULPSA-N 1 0 304.369 2.431 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1n1cccn1 ZINC000816673041 647167095 /nfs/dbraw/zinc/16/70/95/647167095.db2.gz QDICTEXSAOYTHF-OIISXLGYSA-N 1 0 317.389 2.106 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)NC)C2)cc1F ZINC000817415357 647290722 /nfs/dbraw/zinc/29/07/22/647290722.db2.gz RSEHDZKUHHGTOW-AWEZNQCLSA-N 1 0 307.413 2.240 20 10 DECDRO CC(C)(CC[NH3+])NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817858878 647367976 /nfs/dbraw/zinc/36/79/76/647367976.db2.gz CSMRUJAQKORBHE-UHFFFAOYSA-N 1 0 318.446 2.173 20 10 DECDRO COCCNCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817964442 647394543 /nfs/dbraw/zinc/39/45/43/647394543.db2.gz CWCWROYYIUJWOS-JTQLQIEISA-N 1 0 317.227 2.041 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3[nH]ncc3C)C2)cc1 ZINC000818219786 647435210 /nfs/dbraw/zinc/43/52/10/647435210.db2.gz DIDHHIPVCIEUSB-CQSZACIVSA-N 1 0 300.406 2.343 20 10 DECDRO C[C@@H](CNC(=O)NCc1c(O)cccc1F)[NH+]1CCC(C)CC1 ZINC000915073551 647475654 /nfs/dbraw/zinc/47/56/54/647475654.db2.gz VESDFPISWHXINC-ZDUSSCGKSA-N 1 0 323.412 2.451 20 10 DECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000732820236 647665379 /nfs/dbraw/zinc/66/53/79/647665379.db2.gz FQFWEDUBLFGNBM-QGZVFWFLSA-N 1 0 310.413 2.303 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000819896007 647736338 /nfs/dbraw/zinc/73/63/38/647736338.db2.gz DKBWAAMKISXBMZ-AWEZNQCLSA-N 1 0 302.378 2.138 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000821442730 648064310 /nfs/dbraw/zinc/06/43/10/648064310.db2.gz KFOXFHZMXCVNOG-RYUDHWBXSA-N 1 0 317.393 2.404 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000821807549 648112240 /nfs/dbraw/zinc/11/22/40/648112240.db2.gz VOZSNPSVJGCPTM-ZDUSSCGKSA-N 1 0 318.417 2.021 20 10 DECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000925479449 648221010 /nfs/dbraw/zinc/22/10/10/648221010.db2.gz ZRKWJQQJARMANA-YOEHRIQHSA-N 1 0 305.491 2.470 20 10 DECDRO CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000822740057 648275253 /nfs/dbraw/zinc/27/52/53/648275253.db2.gz KZOSSFIBUYMPKW-AWEZNQCLSA-N 1 0 324.421 2.052 20 10 DECDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823161407 648365060 /nfs/dbraw/zinc/36/50/60/648365060.db2.gz QYGYCXJNKNOYCH-MFKMUULPSA-N 1 0 303.366 2.014 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000237617857 648394675 /nfs/dbraw/zinc/39/46/75/648394675.db2.gz XTCSCERBRMAMKV-SWLSCSKDSA-N 1 0 312.417 2.441 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c(O)c1 ZINC000824451310 648590659 /nfs/dbraw/zinc/59/06/59/648590659.db2.gz RVRDGPHMUSNKTH-CYBMUJFWSA-N 1 0 320.389 2.065 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824655725 648630222 /nfs/dbraw/zinc/63/02/22/648630222.db2.gz ZLOVCAJHNSPKOG-BZUAXINKSA-N 1 0 321.417 2.153 20 10 DECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NCCc1ccccc1 ZINC000825040356 648690304 /nfs/dbraw/zinc/69/03/04/648690304.db2.gz HXUGWNYBHGBXDB-ZDUSSCGKSA-N 1 0 316.376 2.368 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000825325361 648742242 /nfs/dbraw/zinc/74/22/42/648742242.db2.gz BNZIMOXHVIURJA-DOTOQJQBSA-N 1 0 314.433 2.496 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000825732369 648806337 /nfs/dbraw/zinc/80/63/37/648806337.db2.gz RAKKCMWCPMDCMA-GFCCVEGCSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1cc(O)c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000825745287 648808059 /nfs/dbraw/zinc/80/80/59/648808059.db2.gz WZAOVMVGMNPIDH-QWHCGFSZSA-N 1 0 312.841 2.241 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2CCCO)cc1Cl ZINC000826037180 648841575 /nfs/dbraw/zinc/84/15/75/648841575.db2.gz XDPPRFFTMBNXPS-CQSZACIVSA-N 1 0 312.841 2.290 20 10 DECDRO Cc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1O ZINC000826298249 648864866 /nfs/dbraw/zinc/86/48/66/648864866.db2.gz KKALKABDFPYJHS-UHFFFAOYSA-N 1 0 313.336 2.310 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2c(C)csc2=O)c1 ZINC000182381757 648892506 /nfs/dbraw/zinc/89/25/06/648892506.db2.gz WWSXHILJQUOZQN-LLVKDONJSA-N 1 0 308.403 2.283 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000182405814 648901115 /nfs/dbraw/zinc/90/11/15/648901115.db2.gz KLCOERPMKXTGNG-KBPBESRZSA-N 1 0 317.385 2.491 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000826845513 648935453 /nfs/dbraw/zinc/93/54/53/648935453.db2.gz JZJUVOSYLXBPFX-DAYGRLMNSA-N 1 0 302.418 2.431 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000826845519 648935629 /nfs/dbraw/zinc/93/56/29/648935629.db2.gz JZJUVOSYLXBPFX-RLFYNMQTSA-N 1 0 302.418 2.431 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000826846673 648936040 /nfs/dbraw/zinc/93/60/40/648936040.db2.gz XHZPQPVAMOZLHE-AWEZNQCLSA-N 1 0 323.400 2.106 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827000034 648959008 /nfs/dbraw/zinc/95/90/08/648959008.db2.gz GRZPOUUNYRVZBH-ZDUSSCGKSA-N 1 0 310.781 2.381 20 10 DECDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1COCCO1 ZINC000827139405 648980120 /nfs/dbraw/zinc/98/01/20/648980120.db2.gz ALUSQWREYXQVKI-GFCCVEGCSA-N 1 0 316.195 2.002 20 10 DECDRO COc1c(O)c(C[N@H+](C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000827805085 649087806 /nfs/dbraw/zinc/08/78/06/649087806.db2.gz GSVZWTKBZZMSPQ-UHFFFAOYSA-N 1 0 310.375 2.414 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1F ZINC000829038511 649263692 /nfs/dbraw/zinc/26/36/92/649263692.db2.gz JJXAGIAUERWWKH-LBPRGKRZSA-N 1 0 317.355 2.271 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000830597663 649465829 /nfs/dbraw/zinc/46/58/29/649465829.db2.gz SHZHGGCUSPXYCL-MRXNPFEDSA-N 1 0 314.429 2.277 20 10 DECDRO CC[N@H+](CCSC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830993753 649526610 /nfs/dbraw/zinc/52/66/10/649526610.db2.gz BYMQMAPYVRMHBM-UHFFFAOYSA-N 1 0 323.506 2.396 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=O)CCCCC[NH3+])C2)cc1 ZINC000831748539 649637803 /nfs/dbraw/zinc/63/78/03/649637803.db2.gz FXGNZQADLCUVEJ-OAHLLOKOSA-N 1 0 319.449 2.157 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000831753628 649638301 /nfs/dbraw/zinc/63/83/01/649638301.db2.gz ONOSIBWQOQXRAB-PBHICJAKSA-N 1 0 319.449 2.011 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@H]2CCCCO2)cc1 ZINC000832272012 649690947 /nfs/dbraw/zinc/69/09/47/649690947.db2.gz BXVMBOJNFPJZBZ-IAGOWNOFSA-N 1 0 319.449 2.218 20 10 DECDRO COc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285238 649692131 /nfs/dbraw/zinc/69/21/31/649692131.db2.gz PYWMOQVXUJOVRQ-MRXNPFEDSA-N 1 0 313.401 2.191 20 10 DECDRO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1N(C)C ZINC000832549760 649723693 /nfs/dbraw/zinc/72/36/93/649723693.db2.gz DPFIWVHKCMEFDD-MRXNPFEDSA-N 1 0 318.465 2.297 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000844322401 651112139 /nfs/dbraw/zinc/11/21/39/651112139.db2.gz MGJMMPSETAPTQY-MLGOLLRUSA-N 1 0 303.406 2.386 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCN(CCOC)CC2(C)C)c1O ZINC000846103438 651307951 /nfs/dbraw/zinc/30/79/51/651307951.db2.gz XJQIPJIGVOAANP-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846143655 651310788 /nfs/dbraw/zinc/31/07/88/651310788.db2.gz FNBZXLVQHFWSQK-NWDGAFQWSA-N 1 0 308.378 2.282 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000846147145 651311020 /nfs/dbraw/zinc/31/10/20/651311020.db2.gz UCWLPJJWWMDQIM-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000846672019 651344699 /nfs/dbraw/zinc/34/46/99/651344699.db2.gz AKZVFKLAYVVXGR-DOTOQJQBSA-N 1 0 301.434 2.421 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000846697207 651346704 /nfs/dbraw/zinc/34/67/04/651346704.db2.gz MMSXXMNBGQGIBS-HUUCEWRRSA-N 1 0 319.449 2.107 20 10 DECDRO COc1ccc(N2CC[NH+](CCCc3cncn3C)CC2)cc1 ZINC000846762696 651349836 /nfs/dbraw/zinc/34/98/36/651349836.db2.gz JCQNGNUJUHLMGQ-UHFFFAOYSA-N 1 0 314.433 2.184 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848427665 651458407 /nfs/dbraw/zinc/45/84/07/651458407.db2.gz OLACROADICSODY-HKUYNNGSSA-N 1 0 315.461 2.491 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO)c1O ZINC000848529188 651467763 /nfs/dbraw/zinc/46/77/63/651467763.db2.gz LFGDYHCWBSHLDX-YUMQZZPRSA-N 1 0 304.184 2.195 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c(O)c1C ZINC000848564387 651471515 /nfs/dbraw/zinc/47/15/15/651471515.db2.gz MNBPBCHDBYFMQX-OLZOCXBDSA-N 1 0 300.406 2.346 20 10 DECDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848603504 651477768 /nfs/dbraw/zinc/47/77/68/651477768.db2.gz PLLIHGOVQXJHHH-IRXDYDNUSA-N 1 0 316.449 2.127 20 10 DECDRO CCc1cccc(C[NH+]2CCN(c3nccnc3C)CC2)c1O ZINC000848909676 651555680 /nfs/dbraw/zinc/55/56/80/651555680.db2.gz ZDCXCOKCSHGRSX-UHFFFAOYSA-N 1 0 312.417 2.375 20 10 DECDRO COc1cc(C[NH2+]CC(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850023719 651806678 /nfs/dbraw/zinc/80/66/78/651806678.db2.gz AMQDSDGRABZWED-UHFFFAOYSA-N 1 0 306.406 2.067 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3cnc(C)n3C)CC2)cc1 ZINC000850116587 651833099 /nfs/dbraw/zinc/83/30/99/651833099.db2.gz PBKUPRLFMCAWLU-UHFFFAOYSA-N 1 0 314.433 2.496 20 10 DECDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850337786 651901864 /nfs/dbraw/zinc/90/18/64/651901864.db2.gz YJEXFPCXJWPMET-HUUCEWRRSA-N 1 0 309.406 2.202 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(Cl)n3C)C2)cc1 ZINC000850347372 651905780 /nfs/dbraw/zinc/90/57/80/651905780.db2.gz RHKVSANOXOHTEM-GFCCVEGCSA-N 1 0 320.824 2.451 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850350629 651906762 /nfs/dbraw/zinc/90/67/62/651906762.db2.gz UKEDQBHRZTYAJL-HXUWFJFHSA-N 1 0 308.369 2.153 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1O ZINC000850353368 651909138 /nfs/dbraw/zinc/90/91/38/651909138.db2.gz BDJYKQPGCGCAJM-NWANDNLSSA-N 1 0 309.406 2.057 20 10 DECDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CS1(=O)=O ZINC000850368739 651913878 /nfs/dbraw/zinc/91/38/78/651913878.db2.gz PJTICMPFRUUHHI-JOYOIKCWSA-N 1 0 303.811 2.101 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@]13OCCC[C@H]1C3(F)F)OCO2 ZINC000850378646 651915223 /nfs/dbraw/zinc/91/52/23/651915223.db2.gz NADAAIVOZWNDHJ-KGLIPLIRSA-N 1 0 313.300 2.025 20 10 DECDRO Oc1ccccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396359 651919196 /nfs/dbraw/zinc/91/91/96/651919196.db2.gz UPGPBFWWQNMOQF-IAGOWNOFSA-N 1 0 302.418 2.125 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000850474778 651935404 /nfs/dbraw/zinc/93/54/04/651935404.db2.gz QGMHLRNPEWQSCE-LSDHHAIUSA-N 1 0 301.438 2.262 20 10 DECDRO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000857060740 652043301 /nfs/dbraw/zinc/04/33/01/652043301.db2.gz FOMXKUDPLUOJLT-OAHLLOKOSA-N 1 0 303.383 2.152 20 10 DECDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000857063446 652044329 /nfs/dbraw/zinc/04/43/29/652044329.db2.gz TUCXBVOBTGXVAH-QGZVFWFLSA-N 1 0 319.380 2.210 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677163 652204885 /nfs/dbraw/zinc/20/48/85/652204885.db2.gz MYQXCDXJHCKMOL-UHFFFAOYSA-N 1 0 316.449 2.036 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000858141743 652263696 /nfs/dbraw/zinc/26/36/96/652263696.db2.gz SAKGITRJBREOMC-JQWIXIFHSA-N 1 0 311.376 2.165 20 10 DECDRO COC[C@@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC000858187670 652274634 /nfs/dbraw/zinc/27/46/34/652274634.db2.gz XUNRLNTZNSDGQW-GFCCVEGCSA-N 1 0 302.365 2.172 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000858288563 652296304 /nfs/dbraw/zinc/29/63/04/652296304.db2.gz KYLJSTRUTQXVEG-JSGCOSHPSA-N 1 0 303.406 2.125 20 10 DECDRO Oc1ccccc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000858332406 652309493 /nfs/dbraw/zinc/30/94/93/652309493.db2.gz UZMZEDDOECRQOP-QGZVFWFLSA-N 1 0 301.386 2.450 20 10 DECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000852211648 652364641 /nfs/dbraw/zinc/36/46/41/652364641.db2.gz NKFGLLDMAQKIJN-MAUKXSAKSA-N 1 0 322.449 2.115 20 10 DECDRO Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1N(C)C ZINC000852653574 652433746 /nfs/dbraw/zinc/43/37/46/652433746.db2.gz WQUXWTBNVQEXNN-MRXNPFEDSA-N 1 0 318.465 2.249 20 10 DECDRO CC(=O)c1cc(F)cc(CN(C)[C@H](C[NH3+])C(F)(F)F)c1O ZINC000852762755 652452538 /nfs/dbraw/zinc/45/25/38/652452538.db2.gz VRFXRHDPCOWEEA-LLVKDONJSA-N 1 0 308.275 2.055 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3([NH2+]C4CC4)CCC3)ccc21 ZINC000852864150 652472216 /nfs/dbraw/zinc/47/22/16/652472216.db2.gz XKESOXZVFPYLIO-UHFFFAOYSA-N 1 0 313.445 2.360 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3COCCO3)c2c1 ZINC000853560641 652568408 /nfs/dbraw/zinc/56/84/08/652568408.db2.gz XQRVGDVHPLGUEV-HNNXBMFYSA-N 1 0 317.385 2.401 20 10 DECDRO COc1cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c(O)cc1C ZINC000853625272 652580431 /nfs/dbraw/zinc/58/04/31/652580431.db2.gz QWZCUHWHJZPPDO-MRXNPFEDSA-N 1 0 322.449 2.252 20 10 DECDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000854231401 652662942 /nfs/dbraw/zinc/66/29/42/652662942.db2.gz HIBZFMGELIQFMM-CHWSQXEVSA-N 1 0 311.857 2.435 20 10 DECDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079000232 683968895 /nfs/dbraw/zinc/96/88/95/683968895.db2.gz URVUNSVVUOMGKT-QGZVFWFLSA-N 1 0 317.477 2.487 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000092660601 684044207 /nfs/dbraw/zinc/04/42/07/684044207.db2.gz GKTUEWNAMYRMST-CYBMUJFWSA-N 1 0 306.406 2.268 20 10 DECDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000127019755 684159475 /nfs/dbraw/zinc/15/94/75/684159475.db2.gz HGENMJUCAUOBBX-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130598108 684190875 /nfs/dbraw/zinc/19/08/75/684190875.db2.gz MZFQXEUKSTZLJV-GWCFXTLKSA-N 1 0 305.330 2.316 20 10 DECDRO CCCC[N@H+](CC(N)=O)Cc1cccc(Br)c1[O-] ZINC000132868730 684213848 /nfs/dbraw/zinc/21/38/48/684213848.db2.gz UUKVOKBIFYGDAF-UHFFFAOYSA-N 1 0 315.211 2.242 20 10 DECDRO Cc1cccc(NCC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000133522952 684220247 /nfs/dbraw/zinc/22/02/47/684220247.db2.gz MGEWLCTVPSEJOM-UHFFFAOYSA-N 1 0 301.346 2.026 20 10 DECDRO Oc1ccc(Cl)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000139742249 684251089 /nfs/dbraw/zinc/25/10/89/684251089.db2.gz OLXCRDPIYTVWGD-HNNXBMFYSA-N 1 0 310.825 2.342 20 10 DECDRO [NH3+]CCCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000155469123 684274016 /nfs/dbraw/zinc/27/40/16/684274016.db2.gz SJJYEPPGBUVUFB-UHFFFAOYSA-N 1 0 321.490 2.375 20 10 DECDRO COc1ccc(N2CCN(C(=O)CCCCC[NH3+])CC2)cc1F ZINC000155823649 684281285 /nfs/dbraw/zinc/28/12/85/684281285.db2.gz FZZYDEJVPMTMDR-UHFFFAOYSA-N 1 0 323.412 2.002 20 10 DECDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193414363 685040347 /nfs/dbraw/zinc/04/03/47/685040347.db2.gz OZALOAJYCVPOLT-OAHLLOKOSA-N 1 0 309.406 2.337 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)F)C[C@H]2C)cc1C ZINC001054307194 693922414 /nfs/dbraw/zinc/92/24/14/693922414.db2.gz CPZREACHTGQGIY-DGCLKSJQSA-N 1 0 312.360 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/nfs/dbraw/zinc/16/95/77/686169577.db2.gz GSVHVRSXBMFNGL-DZGCQCFKSA-N 1 0 304.438 2.035 20 10 DECDRO CN(C)c1cc(F)c(C[N@H+](C)CC2(O)CCOCC2)cc1F ZINC000862335438 686277336 /nfs/dbraw/zinc/27/73/36/686277336.db2.gz GAARIMMKQXPLHG-UHFFFAOYSA-N 1 0 314.376 2.004 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000862526228 686314866 /nfs/dbraw/zinc/31/48/66/686314866.db2.gz QKZKGUAVGIWHSZ-PBHICJAKSA-N 1 0 316.357 2.121 20 10 DECDRO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000863310689 686474308 /nfs/dbraw/zinc/47/43/08/686474308.db2.gz NTPZGNFPEGDGKC-AWEZNQCLSA-N 1 0 302.374 2.178 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C)NC3)CC2)cc1 ZINC000863484007 686508980 /nfs/dbraw/zinc/50/89/80/686508980.db2.gz GIXHWPWLDGGLMA-ZBFHGGJFSA-N 1 0 303.450 2.394 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)cc1 ZINC000865687697 687302526 /nfs/dbraw/zinc/30/25/26/687302526.db2.gz KSJMLLJUXPNRMT-OAHLLOKOSA-N 1 0 314.376 2.270 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000865747110 687321023 /nfs/dbraw/zinc/32/10/23/687321023.db2.gz OJGRSTGSYJIUSG-ONEGZZNKSA-N 1 0 309.417 2.034 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)OCO2 ZINC000865762919 687326432 /nfs/dbraw/zinc/32/64/32/687326432.db2.gz YQQRFGNSFMDLFL-SJCJKPOMSA-N 1 0 305.374 2.416 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781100 687332172 /nfs/dbraw/zinc/33/21/72/687332172.db2.gz VUAJWIVWBVQPHF-ZDUSSCGKSA-N 1 0 307.390 2.076 20 10 DECDRO CC(C)(C)OC(=O)COCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000866437259 687572898 /nfs/dbraw/zinc/57/28/98/687572898.db2.gz DCSOFOYIJRXIKL-CYBMUJFWSA-N 1 0 307.390 2.327 20 10 DECDRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc(N)cc3)cn2)CC1 ZINC000868163492 687931855 /nfs/dbraw/zinc/93/18/55/687931855.db2.gz PNVSWQVYILUFRW-UHFFFAOYSA-N 1 0 314.393 2.376 20 10 DECDRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1O ZINC000868356042 687988368 /nfs/dbraw/zinc/98/83/68/687988368.db2.gz RNKFMHGPFDIIRK-WBMJQRKESA-N 1 0 323.462 2.190 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001018494842 688158539 /nfs/dbraw/zinc/15/85/39/688158539.db2.gz XDASSGBIXMLSEI-HNNXBMFYSA-N 1 0 313.401 2.336 20 10 DECDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872126319 688932806 /nfs/dbraw/zinc/93/28/06/688932806.db2.gz KOWMVIAMTYIFSR-YDHLFZDLSA-N 1 0 308.397 2.084 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000873217923 689185965 /nfs/dbraw/zinc/18/59/65/689185965.db2.gz UWMGVFYHYGMDRO-BETUJISGSA-N 1 0 311.223 2.399 20 10 DECDRO CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699306 689588238 /nfs/dbraw/zinc/58/82/38/689588238.db2.gz MMDUNVNTHIHLIZ-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO CSc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)co1 ZINC000876506857 689841834 /nfs/dbraw/zinc/84/18/34/689841834.db2.gz PIZVEKBYXFFRHJ-AWEZNQCLSA-N 1 0 319.430 2.497 20 10 DECDRO CO[C@@]1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCOC1 ZINC000876531651 689849300 /nfs/dbraw/zinc/84/93/00/689849300.db2.gz LJPDGERTBSKXGI-FUHWJXTLSA-N 1 0 321.417 2.179 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCCO1 ZINC000876684062 689901722 /nfs/dbraw/zinc/90/17/22/689901722.db2.gz IIPQXOZSSXQQCY-OAHLLOKOSA-N 1 0 304.434 2.259 20 10 DECDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876725499 689917180 /nfs/dbraw/zinc/91/71/80/689917180.db2.gz LEJCDLUVJQUUAV-MRXNPFEDSA-N 1 0 304.434 2.116 20 10 DECDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728504 689918190 /nfs/dbraw/zinc/91/81/90/689918190.db2.gz OHHWIRFPJJSIBV-JKSUJKDBSA-N 1 0 301.434 2.276 20 10 DECDRO C[C@H]1OCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000876739707 689922987 /nfs/dbraw/zinc/92/29/87/689922987.db2.gz PXCANSDVNPNLEL-HUUCEWRRSA-N 1 0 304.434 2.257 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCc3ccccn3)cc2)CC1 ZINC000876885979 689964168 /nfs/dbraw/zinc/96/41/68/689964168.db2.gz QEUNHKRMLNEADU-UHFFFAOYSA-N 1 0 311.429 2.375 20 10 DECDRO COc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000876963947 689984249 /nfs/dbraw/zinc/98/42/49/689984249.db2.gz MADMVYYLFJANSH-UHFFFAOYSA-N 1 0 319.430 2.278 20 10 DECDRO Cc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000877126168 690024388 /nfs/dbraw/zinc/02/43/88/690024388.db2.gz FWZWLMRYCORMAN-FUHWJXTLSA-N 1 0 301.386 2.275 20 10 DECDRO CCCN(Cc1cc(C(=O)OC)no1)c1ccc(C[NH3+])cc1 ZINC000877478258 690125487 /nfs/dbraw/zinc/12/54/87/690125487.db2.gz LZFBLPITFRAHJC-UHFFFAOYSA-N 1 0 303.362 2.337 20 10 DECDRO Cc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c(O)c1 ZINC000877484110 690127031 /nfs/dbraw/zinc/12/70/31/690127031.db2.gz XTPAGVIALWZEGY-OAHLLOKOSA-N 1 0 304.434 2.386 20 10 DECDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877501292 690132506 /nfs/dbraw/zinc/13/25/06/690132506.db2.gz NYSDTDFZDOBHSP-SFHVURJKSA-N 1 0 321.417 2.492 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC3=CCOCC3)cc2)CC1 ZINC000877558780 690151457 /nfs/dbraw/zinc/15/14/57/690151457.db2.gz NLJVZJYQWOIAKC-UHFFFAOYSA-N 1 0 302.418 2.084 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000877569967 690155070 /nfs/dbraw/zinc/15/50/70/690155070.db2.gz BPYQDXLVAAJTTI-YOEHRIQHSA-N 1 0 301.390 2.444 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c(O)c1 ZINC000877576296 690156778 /nfs/dbraw/zinc/15/67/78/690156778.db2.gz ITJRBITZXVPPKH-ZBFHGGJFSA-N 1 0 301.390 2.444 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1 ZINC000877576294 690156875 /nfs/dbraw/zinc/15/68/75/690156875.db2.gz ITJRBITZXVPPKH-GOEBONIOSA-N 1 0 301.390 2.444 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cc2)CC1 ZINC000877586464 690158959 /nfs/dbraw/zinc/15/89/59/690158959.db2.gz FUWFJGZGHKHNRA-RDJZCZTQSA-N 1 0 304.459 2.337 20 10 DECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877584778 690159099 /nfs/dbraw/zinc/15/90/99/690159099.db2.gz YMGHLLTXCFZOFW-RHNCMZPLSA-N 1 0 304.434 2.305 20 10 DECDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877592820 690161409 /nfs/dbraw/zinc/16/14/09/690161409.db2.gz UNWGQLLJWAHFOO-RDJZCZTQSA-N 1 0 318.461 2.241 20 10 DECDRO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C)cc1O ZINC000877605868 690165647 /nfs/dbraw/zinc/16/56/47/690165647.db2.gz XGOGIPDDYUNBRS-KRWDZBQOSA-N 1 0 310.397 2.374 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)c(OC)c1 ZINC000877708143 690198554 /nfs/dbraw/zinc/19/85/54/690198554.db2.gz BIQVZVLEJAHRFB-HNNXBMFYSA-N 1 0 320.433 2.252 20 10 DECDRO CC(C)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000877750390 690215902 /nfs/dbraw/zinc/21/59/02/690215902.db2.gz FMJKHRPANRFAOM-LJQANCHMSA-N 1 0 317.477 2.295 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000877811543 690238579 /nfs/dbraw/zinc/23/85/79/690238579.db2.gz OCOWYIQUGYWUII-OTCDBFHCSA-N 1 0 300.196 2.324 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(c3nnc(N)o3)CC2)cc1 ZINC000878814883 690506051 /nfs/dbraw/zinc/50/60/51/690506051.db2.gz WSEJQGJKMJDMJL-UHFFFAOYSA-N 1 0 301.394 2.097 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccccc1O ZINC000879650873 690698995 /nfs/dbraw/zinc/69/89/95/690698995.db2.gz VCFYWXOZLNVMMW-NSHDSACASA-N 1 0 318.398 2.103 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000879650337 690699194 /nfs/dbraw/zinc/69/91/94/690699194.db2.gz VPJPFMPDRYAASL-QWHCGFSZSA-N 1 0 324.421 2.271 20 10 DECDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881848910 691173327 /nfs/dbraw/zinc/17/33/27/691173327.db2.gz DTKNMEVVYSGNEI-UHFFFAOYSA-N 1 0 313.401 2.270 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@]12CCCO2 ZINC000883087946 691426667 /nfs/dbraw/zinc/42/66/67/691426667.db2.gz NKSHIEXIULXZMK-IIAWOOMASA-N 1 0 313.344 2.487 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1F ZINC000886220778 692027657 /nfs/dbraw/zinc/02/76/57/692027657.db2.gz MSNWAYWCDSBQHJ-OLZOCXBDSA-N 1 0 314.376 2.050 20 10 DECDRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886522270 692100709 /nfs/dbraw/zinc/10/07/09/692100709.db2.gz GFFSPFVFDLDVMX-UONOGXRCSA-N 1 0 309.429 2.065 20 10 DECDRO CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000889673881 692758956 /nfs/dbraw/zinc/75/89/56/692758956.db2.gz SPTHBFUTKQLWTO-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794468 693186153 /nfs/dbraw/zinc/18/61/53/693186153.db2.gz FLTJLAXGGBHRSJ-YOEHRIQHSA-N 1 0 320.433 2.325 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCN[C@H]3C)C2)cc1 ZINC000925702192 693326964 /nfs/dbraw/zinc/32/69/64/693326964.db2.gz AKGQNYXXQQBQOS-HDMKZQKVSA-N 1 0 303.450 2.252 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CN4C[C@@H]3CCC4)C2)cc1 ZINC000926611494 693478304 /nfs/dbraw/zinc/47/83/04/693478304.db2.gz LUHAVHNOCNOUDO-TXPKVOOTSA-N 1 0 315.461 2.205 20 10 DECDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)ccc1O ZINC000927038141 693544530 /nfs/dbraw/zinc/54/45/30/693544530.db2.gz CJNRUCWPZDDEOD-SMHCIBLRSA-N 1 0 313.394 2.290 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001353593208 1151840944 /nfs/dbraw/zinc/84/09/44/1151840944.db2.gz LHENAQLFYBZPFW-IBGZPJMESA-N 1 0 310.397 2.330 20 10 DECDRO O[C@@]1(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CCCOC1 ZINC001332610025 1149873086 /nfs/dbraw/zinc/87/30/86/1149873086.db2.gz GBTVSPNDHBETKT-GOSISDBHSA-N 1 0 304.434 2.308 20 10 DECDRO CCOC(=O)CC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001209038615 776655319 /nfs/dbraw/zinc/65/53/19/776655319.db2.gz LWGJELUMRUCLIV-UHFFFAOYSA-N 1 0 306.406 2.161 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)cnn3)cc2)CC1 ZINC001167423121 777015726 /nfs/dbraw/zinc/01/57/26/777015726.db2.gz NZQJKZJTZWNFHW-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cnc(Cl)cn3)cc2)CC1 ZINC001167434334 777034402 /nfs/dbraw/zinc/03/44/02/777034402.db2.gz JJWIAOUOGSQHTC-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO C=Cc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167440531 777052783 /nfs/dbraw/zinc/05/27/83/777052783.db2.gz BMEFHBOHWOFHHU-UHFFFAOYSA-N 1 0 309.417 2.484 20 10 DECDRO CN(CC1C[NH+](Cc2cc(O)ccc2O)C1)C(=O)OC(C)(C)C ZINC001141156360 778314079 /nfs/dbraw/zinc/31/40/79/778314079.db2.gz KQKFCRZSNNIFHV-UHFFFAOYSA-N 1 0 322.405 2.397 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(F)cn2)cc1C ZINC001126073643 778507802 /nfs/dbraw/zinc/50/78/02/778507802.db2.gz OTXAIXUYKQCICI-UHFFFAOYSA-N 1 0 317.364 2.057 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3(C)CC3)cc2)CC1 ZINC001333680579 1150078381 /nfs/dbraw/zinc/07/83/81/1150078381.db2.gz WEJBLVCFKHCTSF-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001168962380 784987713 /nfs/dbraw/zinc/98/77/13/784987713.db2.gz MBQXAIUVHRJXMJ-JKSUJKDBSA-N 1 0 319.405 2.058 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169009952 785001343 /nfs/dbraw/zinc/00/13/43/785001343.db2.gz YVZSGZXDPDQQCM-GDBMZVCRSA-N 1 0 319.405 2.263 20 10 DECDRO CCOC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001169655729 785288478 /nfs/dbraw/zinc/28/84/78/785288478.db2.gz ACMNHQUWQIGXBF-CYBMUJFWSA-N 1 0 308.378 2.198 20 10 DECDRO CC[N@@H+]1CC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001136181021 789658294 /nfs/dbraw/zinc/65/82/94/789658294.db2.gz YIQZEXMOGHAKJT-QGZVFWFLSA-N 1 0 301.434 2.338 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H](n3ncnn3)C2)cc1 ZINC001173771591 793846413 /nfs/dbraw/zinc/84/64/13/793846413.db2.gz VFZUGFJHGOELKH-SJORKVTESA-N 1 0 314.437 2.355 20 10 DECDRO CC(C)NC(=O)CN(C)Cc1ccc(Br)cc1O ZINC000691781578 794458430 /nfs/dbraw/zinc/45/84/30/794458430.db2.gz WBOLLIKHJXXQFI-UHFFFAOYSA-N 1 0 315.211 2.111 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000693463745 794504109 /nfs/dbraw/zinc/50/41/09/794504109.db2.gz VEONCRGEFKSFBV-UHFFFAOYSA-N 1 0 303.811 2.103 20 10 DECDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001177061740 794571694 /nfs/dbraw/zinc/57/16/94/794571694.db2.gz SYGPIUZXZBAIAQ-INIZCTEOSA-N 1 0 323.456 2.338 20 10 DECDRO CC[C@@H](F)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237865 794616625 /nfs/dbraw/zinc/61/66/25/794616625.db2.gz NYEWNMVHFWHAEU-GFCCVEGCSA-N 1 0 323.372 2.307 20 10 DECDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001178482673 794935129 /nfs/dbraw/zinc/93/51/29/794935129.db2.gz IXNOTDRGRDVGDM-KRWDZBQOSA-N 1 0 312.413 2.451 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001116502053 794961434 /nfs/dbraw/zinc/96/14/34/794961434.db2.gz LPYFDOPWWXZPRV-WWMKKXEUSA-N 1 0 304.390 2.100 20 10 DECDRO CCCN(Cc1c(C)nn(CCO)c1C)c1ccc(C[NH3+])cc1 ZINC001116827081 794991426 /nfs/dbraw/zinc/99/14/26/794991426.db2.gz QFRSWHMWQGICJU-UHFFFAOYSA-N 1 0 316.449 2.368 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)NCC23CC[NH+](CC2)CC3)cc1 ZINC001180130073 795238561 /nfs/dbraw/zinc/23/85/61/795238561.db2.gz UPJQRMVRRIQKSD-VMPITWQZSA-N 1 0 313.445 2.368 20 10 DECDRO COc1cc(C)c(CN2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC001180146954 795250828 /nfs/dbraw/zinc/25/08/28/795250828.db2.gz BKMIYLGFRGQSIA-UHFFFAOYSA-N 1 0 320.433 2.006 20 10 DECDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)cccc2Br)C1 ZINC001206423706 795332076 /nfs/dbraw/zinc/33/20/76/795332076.db2.gz LOMUKPKWBSKEEZ-BDAKNGLRSA-N 1 0 303.175 2.026 20 10 DECDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC001119936937 795375894 /nfs/dbraw/zinc/37/58/94/795375894.db2.gz OLOOETGIFSXRQH-UHFFFAOYSA-N 1 0 311.378 2.183 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001120559672 795484731 /nfs/dbraw/zinc/48/47/31/795484731.db2.gz WJSULAXGYDYYPH-GDBMZVCRSA-N 1 0 318.465 2.140 20 10 DECDRO Nc1ccc(CNC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC001120657886 795507776 /nfs/dbraw/zinc/50/77/76/795507776.db2.gz GGVLHKCMEKYHGL-IZAXUBKRSA-N 1 0 324.428 2.127 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001204324965 795620741 /nfs/dbraw/zinc/62/07/41/795620741.db2.gz PUCDXXUBKBIQJZ-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC001182464383 795688564 /nfs/dbraw/zinc/68/85/64/795688564.db2.gz ZOPXVBVTAKQPDK-LBPRGKRZSA-N 1 0 313.344 2.488 20 10 DECDRO CCO[C@H](CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124392659 796064661 /nfs/dbraw/zinc/06/46/61/796064661.db2.gz OMEWKRZVDOUGCD-OAHLLOKOSA-N 1 0 308.422 2.025 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001203602289 796151549 /nfs/dbraw/zinc/15/15/49/796151549.db2.gz MPORZIMFHZDICG-NEPJUHHUSA-N 1 0 319.323 2.394 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c2ccccc2n1C ZINC001138257129 796188044 /nfs/dbraw/zinc/18/80/44/796188044.db2.gz XLZBQPUICNKXAC-INIZCTEOSA-N 1 0 313.445 2.393 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1O ZINC001138338375 796199191 /nfs/dbraw/zinc/19/91/91/796199191.db2.gz QCBFRZZPJWGVAJ-CXAGYDPISA-N 1 0 316.445 2.294 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(OC)c1 ZINC001138389385 796210126 /nfs/dbraw/zinc/21/01/26/796210126.db2.gz NKKZTXGSZIDCSG-UHFFFAOYSA-N 1 0 319.449 2.206 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC001138392301 796211602 /nfs/dbraw/zinc/21/16/02/796211602.db2.gz UVMJCFKXOZHTJZ-INIZCTEOSA-N 1 0 319.449 2.252 20 10 DECDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC001138500284 796228370 /nfs/dbraw/zinc/22/83/70/796228370.db2.gz WBKJXZDQOBQYPH-PKOBYXMFSA-N 1 0 315.461 2.049 20 10 DECDRO CC[C@H]1COCCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258241 796350511 /nfs/dbraw/zinc/35/05/11/796350511.db2.gz NLWYKTDQVYCCFT-HNNXBMFYSA-N 1 0 308.422 2.073 20 10 DECDRO COc1cc(CN2CC(C(F)F)C2)cc(C[NH+](C)C)c1O ZINC001139261060 796351003 /nfs/dbraw/zinc/35/10/03/796351003.db2.gz TXJSZXVFCDGWEV-UHFFFAOYSA-N 1 0 300.349 2.159 20 10 DECDRO Cc1cc(C[NH+]2CCC3(CC(=O)CO3)CC2)ccc1N(C)C ZINC001139671158 796408076 /nfs/dbraw/zinc/40/80/76/796408076.db2.gz SUODDPAGQFORGB-UHFFFAOYSA-N 1 0 302.418 2.385 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140620108 796546954 /nfs/dbraw/zinc/54/69/54/796546954.db2.gz CJVTZCACRNPWKR-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1F ZINC001140665917 796553283 /nfs/dbraw/zinc/55/32/83/796553283.db2.gz ZNWANVHYZYOOAS-LSDHHAIUSA-N 1 0 321.440 2.187 20 10 DECDRO CN1CC2(CC1=O)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203664604 796556993 /nfs/dbraw/zinc/55/69/93/796556993.db2.gz MRRYLVCUWOQLDT-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1O ZINC001140746025 796566777 /nfs/dbraw/zinc/56/67/77/796566777.db2.gz SOKFSQNLKHEMHE-OAHLLOKOSA-N 1 0 318.417 2.383 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)c1 ZINC001140855014 796583948 /nfs/dbraw/zinc/58/39/48/796583948.db2.gz KBOJVKMJPSBPCB-UHFFFAOYSA-N 1 0 319.449 2.326 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC001140851178 796584577 /nfs/dbraw/zinc/58/45/77/796584577.db2.gz FJVOARLMDZKARD-UHFFFAOYSA-N 1 0 319.449 2.293 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2cn(C)nc21 ZINC001140952193 796606766 /nfs/dbraw/zinc/60/67/66/796606766.db2.gz HZLBKJQQTRNCDS-HNNXBMFYSA-N 1 0 301.390 2.180 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(OC)c1 ZINC001141031325 796621559 /nfs/dbraw/zinc/62/15/59/796621559.db2.gz DBEGFKKVLQRMBL-QGZVFWFLSA-N 1 0 309.406 2.392 20 10 DECDRO O[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1F ZINC001141074866 796632207 /nfs/dbraw/zinc/63/22/07/796632207.db2.gz VNCNIZGIWFPCKW-SJORKVTESA-N 1 0 304.409 2.290 20 10 DECDRO CC[N@H+](CCn1ccnc1)Cc1ccc2c(c1)OCCN2C ZINC001141144183 796638868 /nfs/dbraw/zinc/63/88/68/796638868.db2.gz CVSWTEHPYFQTRC-UHFFFAOYSA-N 1 0 300.406 2.234 20 10 DECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143945 796638994 /nfs/dbraw/zinc/63/89/94/796638994.db2.gz PDHYQSKRUHYXQA-OAHLLOKOSA-N 1 0 318.417 2.290 20 10 DECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145434 796639578 /nfs/dbraw/zinc/63/95/78/796639578.db2.gz CLSPRLWTQWZUOA-OAHLLOKOSA-N 1 0 317.433 2.006 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141155935 796641399 /nfs/dbraw/zinc/64/13/99/796641399.db2.gz AZOHPEAWDMCTHX-STQMWFEESA-N 1 0 323.286 2.325 20 10 DECDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141156093 796641416 /nfs/dbraw/zinc/64/14/16/796641416.db2.gz FBTZZTFPNMCZQU-SJCJKPOMSA-N 1 0 320.389 2.197 20 10 DECDRO CCn1cccc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001151197623 797020167 /nfs/dbraw/zinc/02/01/67/797020167.db2.gz XHKQFZLKLZQCEP-UHFFFAOYSA-N 1 0 315.417 2.345 20 10 DECDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(O)c1O ZINC001193114350 797506072 /nfs/dbraw/zinc/50/60/72/797506072.db2.gz QRFARRDKWROABN-LBPRGKRZSA-N 1 0 322.405 2.101 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCCO2)cc1C ZINC001154995586 797656268 /nfs/dbraw/zinc/65/62/68/797656268.db2.gz LZZYEQUOVDMZMQ-INIZCTEOSA-N 1 0 320.433 2.169 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cncs2)cc1C ZINC001155171414 797700298 /nfs/dbraw/zinc/70/02/98/797700298.db2.gz RCAPBDRYDVAJGT-UHFFFAOYSA-N 1 0 319.430 2.370 20 10 DECDRO CC[C@H](C)OC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001195138348 797841334 /nfs/dbraw/zinc/84/13/34/797841334.db2.gz RRDBPPLOJHMQHK-AWEZNQCLSA-N 1 0 305.422 2.463 20 10 DECDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCCC[C@H]1O ZINC001195359252 797887033 /nfs/dbraw/zinc/88/70/33/797887033.db2.gz UJVRFRYCUKANQB-NVXWUHKLSA-N 1 0 321.417 2.308 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCOC2)cc1C ZINC001156050458 797913904 /nfs/dbraw/zinc/91/39/04/797913904.db2.gz ZEDGORNLFLVUHV-INIZCTEOSA-N 1 0 320.433 2.026 20 10 DECDRO CN(C)c1ccc(-c2nc(C(=O)N3CC(C)([NH3+])C3)cs2)cc1 ZINC001157655877 798250526 /nfs/dbraw/zinc/25/05/26/798250526.db2.gz HZJCJJHWZOTJFN-UHFFFAOYSA-N 1 0 316.430 2.049 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(NC3=CCC[NH2+]C3)c(O)cc21 ZINC001159648682 798592822 /nfs/dbraw/zinc/59/28/22/798592822.db2.gz DPTRJVAYYYFZIG-UHFFFAOYSA-N 1 0 320.348 2.457 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(NC3=CC[NH2+]CC3)ccc(O)c21 ZINC001159783339 798607371 /nfs/dbraw/zinc/60/73/71/798607371.db2.gz JAKMSMQYOHYRON-UHFFFAOYSA-N 1 0 320.348 2.457 20 10 DECDRO CN1CCc2cc(N3C[C@@H]([NH3+])Cc4ccccc43)ccc2C1=O ZINC001162853437 799189800 /nfs/dbraw/zinc/18/98/00/799189800.db2.gz KKZKDYQGHMLVBD-HNNXBMFYSA-N 1 0 307.397 2.336 20 10 DECDRO OC[C@H](CC(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000717744162 799430515 /nfs/dbraw/zinc/43/05/15/799430515.db2.gz LMWJCBBHBXVVGK-VIFPVBQESA-N 1 0 310.138 2.260 20 10 DECDRO O=C(NCc1ccco1)C12CC(C1)C[N@H+]2Cc1ccccc1O ZINC001203552950 800078027 /nfs/dbraw/zinc/07/80/27/800078027.db2.gz WPZAOAFYWNYMMK-UHFFFAOYSA-N 1 0 312.369 2.266 20 10 DECDRO O=C1OC2(CC[NH+](Cc3ccccc3O)CC2)c2cnccc21 ZINC001203561316 800080428 /nfs/dbraw/zinc/08/04/28/800080428.db2.gz QANULWMXHLUKIJ-UHFFFAOYSA-N 1 0 310.353 2.449 20 10 DECDRO COc1ccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203629024 800093811 /nfs/dbraw/zinc/09/38/11/800093811.db2.gz OKDBVNNYRFGWTG-UHFFFAOYSA-N 1 0 322.405 2.452 20 10 DECDRO COc1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c(O)c1 ZINC001203627900 800094795 /nfs/dbraw/zinc/09/47/95/800094795.db2.gz RIKDLCQHWOHXGQ-UHFFFAOYSA-N 1 0 312.360 2.316 20 10 DECDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634766 800095561 /nfs/dbraw/zinc/09/55/61/800095561.db2.gz URMCMOHGDIYXAK-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203635781 800096188 /nfs/dbraw/zinc/09/61/88/800096188.db2.gz GMHPOGVAEMOFJC-CABZTGNLSA-N 1 0 300.196 2.357 20 10 DECDRO CN(C)C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664773 800102541 /nfs/dbraw/zinc/10/25/41/800102541.db2.gz VWLAFCSTCYNBAM-UHFFFAOYSA-N 1 0 311.813 2.281 20 10 DECDRO CCC(=O)N(C)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203681036 800104782 /nfs/dbraw/zinc/10/47/82/800104782.db2.gz MCBJLSGKGGLHEW-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(O)c(O)c1 ZINC001203877380 800138082 /nfs/dbraw/zinc/13/80/82/800138082.db2.gz FEZVQYVFZAQNSL-UHFFFAOYSA-N 1 0 310.394 2.444 20 10 DECDRO Oc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1O ZINC001203883095 800139642 /nfs/dbraw/zinc/13/96/42/800139642.db2.gz DPGMHQGPBJHDMN-LSDHHAIUSA-N 1 0 308.397 2.496 20 10 DECDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274845 800198087 /nfs/dbraw/zinc/19/80/87/800198087.db2.gz UQHAFMZVFUZQLC-HNNXBMFYSA-N 1 0 321.417 2.363 20 10 DECDRO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)O1 ZINC001204322416 800204580 /nfs/dbraw/zinc/20/45/80/800204580.db2.gz RFPZBXBESWSTSY-GOSISDBHSA-N 1 0 315.417 2.361 20 10 DECDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329273 800205055 /nfs/dbraw/zinc/20/50/55/800205055.db2.gz JPZDSZJZTYPTPP-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Cl)cc1O ZINC001205414553 800355082 /nfs/dbraw/zinc/35/50/82/800355082.db2.gz JMDYRSFFUGSYAQ-LBPRGKRZSA-N 1 0 312.841 2.323 20 10 DECDRO [NH3+]C[C@@]1(O)CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001205725910 800407941 /nfs/dbraw/zinc/40/79/41/800407941.db2.gz NEJKJZKBWXYXMA-AWEZNQCLSA-N 1 0 319.232 2.375 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(OC)c1 ZINC001206416267 800527477 /nfs/dbraw/zinc/52/74/77/800527477.db2.gz YPTCPGSETUHVIA-CABCVRRESA-N 1 0 309.429 2.413 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1 ZINC001206444664 800533921 /nfs/dbraw/zinc/53/39/21/800533921.db2.gz KASUFMALEHEHNP-GHMZBOCLSA-N 1 0 317.202 2.334 20 10 DECDRO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000935310788 800623703 /nfs/dbraw/zinc/62/37/03/800623703.db2.gz MGMCPMBVYBCJMY-GXTWGEPZSA-N 1 0 306.406 2.018 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001207440163 800751895 /nfs/dbraw/zinc/75/18/95/800751895.db2.gz VEGGDGXIVGGYSW-UHFFFAOYSA-N 1 0 306.406 2.405 20 10 DECDRO COc1ccc(N2CC[NH+](CCCn3cccn3)CC2)cc1 ZINC001208082629 800908999 /nfs/dbraw/zinc/90/89/99/800908999.db2.gz NZSHLXREISDRGG-UHFFFAOYSA-N 1 0 300.406 2.104 20 10 DECDRO CCOC(=O)CC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001209038767 801118876 /nfs/dbraw/zinc/11/88/76/801118876.db2.gz NWTXGEYBJPZDTQ-UHFFFAOYSA-N 1 0 306.406 2.079 20 10 DECDRO Cn1ncc(Br)c1CN1CCc2cccc(O)c2C1 ZINC001209710878 801260944 /nfs/dbraw/zinc/26/09/44/801260944.db2.gz CNZIUYLBGSACFW-UHFFFAOYSA-N 1 0 322.206 2.447 20 10 DECDRO CC(C)(C)[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H](O)CO ZINC001231587820 801690751 /nfs/dbraw/zinc/69/07/51/801690751.db2.gz ZOBDUZVHSNLZRW-CQSZACIVSA-N 1 0 303.402 2.499 20 10 DECDRO C[C@@]1(CO)C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001231587012 801691348 /nfs/dbraw/zinc/69/13/48/801691348.db2.gz POANRMMZOVRUTP-MSOLQXFVSA-N 1 0 301.386 2.111 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)c1 ZINC001231850614 801736782 /nfs/dbraw/zinc/73/67/82/801736782.db2.gz RURRHEFSNCLFOE-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001231853390 801737478 /nfs/dbraw/zinc/73/74/78/801737478.db2.gz JRLVWTBKYVTIJG-UHFFFAOYSA-N 1 0 321.440 2.379 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001231852292 801737483 /nfs/dbraw/zinc/73/74/83/801737483.db2.gz UDPLLFSYKSMOEZ-UHFFFAOYSA-N 1 0 318.417 2.085 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)CC12CC2 ZINC001231856050 801738922 /nfs/dbraw/zinc/73/89/22/801738922.db2.gz KKGFSOFNZAYFIX-HNNXBMFYSA-N 1 0 318.417 2.146 20 10 DECDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001231911432 801748439 /nfs/dbraw/zinc/74/84/39/801748439.db2.gz LMZCADIHTJFUTI-DZGCQCFKSA-N 1 0 310.825 2.198 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1O ZINC001232195706 801814000 /nfs/dbraw/zinc/81/40/00/801814000.db2.gz XWGAVWYCGAYUHQ-SUMWQHHRSA-N 1 0 324.852 2.379 20 10 DECDRO CC[N@H+]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3O)C[C@H]2C1 ZINC001232271257 801835058 /nfs/dbraw/zinc/83/50/58/801835058.db2.gz TWJWYTIYBVSOIK-BETUJISGSA-N 1 0 310.825 2.438 20 10 DECDRO Oc1cc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc(O)c1O ZINC001233018525 802004317 /nfs/dbraw/zinc/00/43/17/802004317.db2.gz XTKYRYCHASIXCK-UONOGXRCSA-N 1 0 324.396 2.202 20 10 DECDRO N[C@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCC[NH2+]C1 ZINC001217727430 802107011 /nfs/dbraw/zinc/10/70/11/802107011.db2.gz GHWZQAAXLZJIMZ-QGZVFWFLSA-N 1 0 309.373 2.065 20 10 DECDRO O=C1NCC[C@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416483 802112196 /nfs/dbraw/zinc/11/21/96/802112196.db2.gz JXAMFHUNOUYGFA-CQSZACIVSA-N 1 0 314.307 2.123 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416477 802112240 /nfs/dbraw/zinc/11/22/40/802112240.db2.gz JSDUNWFLDBBFQM-SNVBAGLBSA-N 1 0 303.280 2.406 20 10 DECDRO C[N@@H+]1CCN(Cc2cc(O)c(O)cc2O)[C@@H](c2ccccc2)C1 ZINC001233482193 802126281 /nfs/dbraw/zinc/12/62/81/802126281.db2.gz DNAOMCDJASPZEL-OAHLLOKOSA-N 1 0 314.385 2.292 20 10 DECDRO CCCC(=O)c1cc(O)c(O)cc1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001233495713 802134069 /nfs/dbraw/zinc/13/40/69/802134069.db2.gz KNWWANMIBXPSKX-GFCCVEGCSA-N 1 0 323.389 2.180 20 10 DECDRO Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C#N ZINC000191193168 802373578 /nfs/dbraw/zinc/37/35/78/802373578.db2.gz SWACHNAQDUKGTM-UHFFFAOYSA-N 1 0 324.428 2.365 20 10 DECDRO C[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC[NH2+]C1 ZINC001220212656 802426535 /nfs/dbraw/zinc/42/65/35/802426535.db2.gz RHLGVPWPCJPJJN-INIZCTEOSA-N 1 0 319.792 2.210 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222244012 802660023 /nfs/dbraw/zinc/66/00/23/802660023.db2.gz RVKFCSOTIFCUIX-IBGZPJMESA-N 1 0 315.461 2.241 20 10 DECDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001335287707 1150392826 /nfs/dbraw/zinc/39/28/26/1150392826.db2.gz AALGJZLYXVTIBN-KRWDZBQOSA-N 1 0 306.406 2.061 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1F ZINC001331565872 1149536487 /nfs/dbraw/zinc/53/64/87/1149536487.db2.gz PVYRWCKOHFESDM-OAHLLOKOSA-N 1 0 322.424 2.255 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001336037821 1150596919 /nfs/dbraw/zinc/59/69/19/1150596919.db2.gz YBODFLFECFPMOH-GOSISDBHSA-N 1 0 316.449 2.099 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCCC[NH2+]1 ZINC001328523793 1148805758 /nfs/dbraw/zinc/80/57/58/1148805758.db2.gz FDBOBNBMSHACRM-MRXNPFEDSA-N 1 0 302.418 2.419 20 10 DECDRO Cn1cc(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC001525905127 1070187180 /nfs/dbraw/zinc/18/71/80/1070187180.db2.gz CAXQXWBOPAIAPZ-KBOKABMXSA-N 1 0 322.412 2.445 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001621330524 1071057636 /nfs/dbraw/zinc/05/76/36/1071057636.db2.gz MDFOBUYBEUZJEE-JSGCOSHPSA-N 1 0 301.814 2.293 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454575824 1057531376 /nfs/dbraw/zinc/53/13/76/1057531376.db2.gz DKYSFDPHQRSKDI-ZDUSSCGKSA-N 1 0 302.399 2.110 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CCCCCCO)cc2F)CC1 ZINC001461393559 1058653699 /nfs/dbraw/zinc/65/36/99/1058653699.db2.gz UNNOHORIBBMZGZ-UHFFFAOYSA-N 1 0 323.456 2.220 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1 ZINC001461767940 1058709137 /nfs/dbraw/zinc/70/91/37/1058709137.db2.gz VOPQNXAIMGPREE-CJNGLKHVSA-N 1 0 310.463 2.056 20 10 DECDRO COc1cc(C)c(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001461926679 1058738440 /nfs/dbraw/zinc/73/84/40/1058738440.db2.gz MADVBWGHBNDYRJ-CQSZACIVSA-N 1 0 306.406 2.009 20 10 DECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c(C)cc(OC)cc2O)C1 ZINC001462423434 1058821911 /nfs/dbraw/zinc/82/19/11/1058821911.db2.gz FARKVFSVNIIRDV-CYBMUJFWSA-N 1 0 305.374 2.451 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCO2)cc1C ZINC001495613193 1065005754 /nfs/dbraw/zinc/00/57/54/1065005754.db2.gz RJSXPVHKINEMES-GUYCJALGSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)OC)cc1C ZINC001496019360 1065231110 /nfs/dbraw/zinc/23/11/10/1065231110.db2.gz ZDLFSFGURQGDSC-CABCVRRESA-N 1 0 322.449 2.365 20 10 DECDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001497650168 1066211777 /nfs/dbraw/zinc/21/17/77/1066211777.db2.gz JTMPAMZOYXQTSQ-UXGDDLMTSA-N 1 0 302.418 2.422 20 10 DECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](C)[NH2+]1 ZINC001576771437 1066685819 /nfs/dbraw/zinc/68/58/19/1066685819.db2.gz DNVFXMQWKYLMGW-GHMZBOCLSA-N 1 0 314.480 2.017 20 10 DECDRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC001633435516 1078404971 /nfs/dbraw/zinc/40/49/71/1078404971.db2.gz VUFDXRGHMCEEJF-OAHLLOKOSA-N 1 0 308.422 2.123 20 10 DECDRO CC[NH2+]CCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001577843130 1066935174 /nfs/dbraw/zinc/93/51/74/1066935174.db2.gz NOAMXEVISNHENW-HNNXBMFYSA-N 1 0 320.481 2.291 20 10 DECDRO CC1([NH+]2CCCC2)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634969286 1078441174 /nfs/dbraw/zinc/44/11/74/1078441174.db2.gz NCNINQPRFMLXAU-UHFFFAOYSA-N 1 0 318.417 2.117 20 10 DECDRO CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1(C[NH3+])CCC1 ZINC001578389432 1067077291 /nfs/dbraw/zinc/07/72/91/1067077291.db2.gz KMIDSHHOBVOZJD-UHFFFAOYSA-N 1 0 306.387 2.266 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001580261873 1067546061 /nfs/dbraw/zinc/54/60/61/1067546061.db2.gz MCMAKTLPZWEQCE-DGCLKSJQSA-N 1 0 303.366 2.096 20 10 DECDRO CN(CC[NH2+]CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267126069 1078601325 /nfs/dbraw/zinc/60/13/25/1078601325.db2.gz FDAFUBAGWJVMHG-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001570602371 1068031647 /nfs/dbraw/zinc/03/16/47/1068031647.db2.gz VUDBAPWTRIBXKL-CHWSQXEVSA-N 1 0 316.405 2.023 20 10 DECDRO CCC[N@H+](CCF)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267320834 1078762814 /nfs/dbraw/zinc/76/28/14/1078762814.db2.gz XYLDNHLRBOIXGR-UHFFFAOYSA-N 1 0 323.372 2.260 20 10 DECDRO COc1ccc(N2CCCN(C(=O)C[NH2+]C(C)(C)C)CC2)cc1 ZINC000051376278 1078808327 /nfs/dbraw/zinc/80/83/27/1078808327.db2.gz KEGZTRNRQNIIGB-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706883267 1082291931 /nfs/dbraw/zinc/29/19/31/1082291931.db2.gz LCKBAWXBCARSNV-VPTHRUTESA-N 1 0 306.225 2.011 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)c1 ZINC001548671887 1072785267 /nfs/dbraw/zinc/78/52/67/1072785267.db2.gz SIBMHNFMAPVDGB-GZBFAFLISA-N 1 0 318.417 2.137 20 10 DECDRO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001272618704 1079015562 /nfs/dbraw/zinc/01/55/62/1079015562.db2.gz NNBRDCUYUMFOMO-INIZCTEOSA-N 1 0 310.344 2.082 20 10 DECDRO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1O ZINC001648054666 1074986482 /nfs/dbraw/zinc/98/64/82/1074986482.db2.gz ZFSIDMOAJGYWBP-GFCCVEGCSA-N 1 0 309.369 2.490 20 10 DECDRO Cc1ccc(O)c(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001557553560 1075068592 /nfs/dbraw/zinc/06/85/92/1075068592.db2.gz PXEDVOYYSGWFAA-UHFFFAOYSA-N 1 0 308.341 2.211 20 10 DECDRO O=C(c1ccn(-c2cc[nH+]cc2)n1)N1Cc2cccc(O)c2C1 ZINC001558035450 1075079828 /nfs/dbraw/zinc/07/98/28/1075079828.db2.gz HMHMRLDRBBCYRI-UHFFFAOYSA-N 1 0 306.325 2.129 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001560274650 1075135484 /nfs/dbraw/zinc/13/54/84/1075135484.db2.gz MKNCQGLEXUXXHJ-HIFRSBDPSA-N 1 0 308.397 2.319 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)CC2CCCC2)c(O)c1OC ZINC001560788183 1075146088 /nfs/dbraw/zinc/14/60/88/1075146088.db2.gz MPMJAZBAMOXITG-AWEZNQCLSA-N 1 0 309.406 2.440 20 10 DECDRO Nc1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1 ZINC001580446763 1075926182 /nfs/dbraw/zinc/92/61/82/1075926182.db2.gz GNUUDBQYJSDAMJ-UHFFFAOYSA-N 1 0 310.401 2.478 20 10 DECDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001580813475 1076001645 /nfs/dbraw/zinc/00/16/45/1076001645.db2.gz ZVHFZRSWDKDCJG-GHMZBOCLSA-N 1 0 318.398 2.279 20 10 DECDRO Oc1ccccc1C[NH2+][C@H]1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593539724 1077019829 /nfs/dbraw/zinc/01/98/29/1077019829.db2.gz FJJWAJQCFMCPOA-HNNXBMFYSA-N 1 0 307.357 2.349 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CCS(C)(=O)=O ZINC001650760498 1079772776 /nfs/dbraw/zinc/77/27/76/1079772776.db2.gz CBUJVAULQHVADC-GFCCVEGCSA-N 1 0 308.447 2.400 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC001653047430 1079910329 /nfs/dbraw/zinc/91/03/29/1079910329.db2.gz FZVBDILSAISLMD-CWIOURORSA-N 1 0 319.424 2.301 20 10 DECDRO c1cnc([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC001655717137 1080013440 /nfs/dbraw/zinc/01/34/40/1080013440.db2.gz YRXKEPXSSRSGTJ-QGZVFWFLSA-N 1 0 324.428 2.303 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2)cc1F ZINC001656711891 1080117649 /nfs/dbraw/zinc/11/76/49/1080117649.db2.gz PGXCCZDBQHQVRS-HNNXBMFYSA-N 1 0 318.392 2.421 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC001656946940 1080142587 /nfs/dbraw/zinc/14/25/87/1080142587.db2.gz FLRVKIMEAQBXMA-HNNXBMFYSA-N 1 0 301.434 2.033 20 10 DECDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001657068749 1080151970 /nfs/dbraw/zinc/15/19/70/1080151970.db2.gz WSCWQPHJMHKZSF-MRXNPFEDSA-N 1 0 311.433 2.291 20 10 DECDRO COc1cc(O)c(CNc2cc(N(C)C)cc[nH+]2)cc1OC ZINC001658596308 1080212583 /nfs/dbraw/zinc/21/25/83/1080212583.db2.gz XNZUPQNFLTWPQE-UHFFFAOYSA-N 1 0 303.362 2.483 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001660140867 1080275513 /nfs/dbraw/zinc/27/55/13/1080275513.db2.gz UAAIPNGJXDXSSR-SOUVJXGZSA-N 1 0 322.449 2.297 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)c1 ZINC001660316427 1080308864 /nfs/dbraw/zinc/30/88/64/1080308864.db2.gz PIBHSPWQMJIDGX-AWEZNQCLSA-N 1 0 318.417 2.154 20 10 DECDRO COc1cc(C)c(C[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1 ZINC001665672658 1081060405 /nfs/dbraw/zinc/06/04/05/1081060405.db2.gz LWRZBQOIRTZCJZ-UHFFFAOYSA-N 1 0 301.390 2.460 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCCC23OCCO3)cc1OC ZINC001665901139 1081094695 /nfs/dbraw/zinc/09/46/95/1081094695.db2.gz NPHIYCVTADEZBH-MRXNPFEDSA-N 1 0 323.389 2.185 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C(F)F)C(C)C)cc1C ZINC001667431169 1081251844 /nfs/dbraw/zinc/25/18/44/1081251844.db2.gz NRMFBBQPUQVLTP-ZDUSSCGKSA-N 1 0 314.376 2.499 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001269607698 1081306465 /nfs/dbraw/zinc/30/64/65/1081306465.db2.gz GTYDUIUISYZAMS-UHFFFAOYSA-N 1 0 316.401 2.188 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnco2)cc1C ZINC001674707435 1081909115 /nfs/dbraw/zinc/90/91/15/1081909115.db2.gz CXMQPQSQXDAJOP-OLZOCXBDSA-N 1 0 317.389 2.288 20 10 DECDRO CN1C[C@@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3O)[C@@H]2C1 ZINC001276529183 1083482173 /nfs/dbraw/zinc/48/21/73/1083482173.db2.gz BHEQFDBICQERDV-CMPLNLGQSA-N 1 0 316.323 2.427 20 10 DECDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(N2CCCCC2)cc1 ZINC001276551174 1083488154 /nfs/dbraw/zinc/48/81/54/1083488154.db2.gz CLTBPIXPDNRJCC-KDURUIRLSA-N 1 0 315.461 2.192 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCCN(Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276830812 1083636975 /nfs/dbraw/zinc/63/69/75/1083636975.db2.gz VGTIMUQTJSPQNG-QGZVFWFLSA-N 1 0 306.406 2.111 20 10 DECDRO COc1ccc(N2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c(C)c1 ZINC001277021772 1083735425 /nfs/dbraw/zinc/73/54/25/1083735425.db2.gz GMUJZWWLCSSBBL-MAUKXSAKSA-N 1 0 303.450 2.076 20 10 DECDRO COc1ccc(N2CCC3(CN(CC[NH+](C)C)C3)CC2)c(C)c1 ZINC001277022332 1083735477 /nfs/dbraw/zinc/73/54/77/1083735477.db2.gz MSUFLSSZMIQCJE-UHFFFAOYSA-N 1 0 317.477 2.467 20 10 DECDRO COc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277454734 1083979456 /nfs/dbraw/zinc/97/94/56/1083979456.db2.gz ZCAIFTBORQOQTD-AWEZNQCLSA-N 1 0 318.417 2.137 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(CC[C@@H](C(N)=O)C3)CC2)c1 ZINC001277463526 1083985151 /nfs/dbraw/zinc/98/51/51/1083985151.db2.gz LOXWODMTEZKMNK-CYBMUJFWSA-N 1 0 318.417 2.268 20 10 DECDRO CC(C)(C)c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(O)c1 ZINC001234976382 1084254555 /nfs/dbraw/zinc/25/45/55/1084254555.db2.gz UVVXOJHBVHGURD-RHSMWYFYSA-N 1 0 304.434 2.110 20 10 DECDRO COc1cccc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c1O ZINC001235847084 1084545766 /nfs/dbraw/zinc/54/57/66/1084545766.db2.gz DXSQNTNNYDVVKI-QGZVFWFLSA-N 1 0 312.413 2.417 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3C[C@H]4CC[C@]4([NH3+])C3)ccc2O1 ZINC001235994093 1084583867 /nfs/dbraw/zinc/58/38/67/1084583867.db2.gz NHEDQGWAQXKBIL-ACJLOTCBSA-N 1 0 300.402 2.500 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1c(O)cccc1OC(F)(F)F ZINC001236102225 1084612683 /nfs/dbraw/zinc/61/26/83/1084612683.db2.gz JEBFKZOQKIFTFK-NXEZZACHSA-N 1 0 304.312 2.473 20 10 DECDRO Oc1ccccc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702577806 1086444159 /nfs/dbraw/zinc/44/41/59/1086444159.db2.gz AYIHIWLZSPUMHE-LJQANCHMSA-N 1 0 312.413 2.119 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c1O ZINC001276118051 1091555123 /nfs/dbraw/zinc/55/51/23/1091555123.db2.gz LMFVVVLMAJEYEI-UHFFFAOYSA-N 1 0 313.401 2.052 20 10 DECDRO CN1CCO[C@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1 ZINC001275216650 1091619361 /nfs/dbraw/zinc/61/93/61/1091619361.db2.gz ACHJEBZNFXAXBR-MRXNPFEDSA-N 1 0 310.825 2.342 20 10 DECDRO Oc1ccccc1C[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275266624 1091643495 /nfs/dbraw/zinc/64/34/95/1091643495.db2.gz BQZMRZBOWSZDLM-UHFFFAOYSA-N 1 0 312.417 2.213 20 10 DECDRO COc1ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001275275093 1091649833 /nfs/dbraw/zinc/64/98/33/1091649833.db2.gz AJFSOPUXWQFGLF-UHFFFAOYSA-N 1 0 313.401 2.047 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2nocc2C)cc1C ZINC001275399390 1091716466 /nfs/dbraw/zinc/71/64/66/1091716466.db2.gz HXRGKJVRSLMQGU-ZDUSSCGKSA-N 1 0 317.389 2.208 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCCO3)C2)c(O)c1 ZINC001277566456 1138330424 /nfs/dbraw/zinc/33/04/24/1138330424.db2.gz INQXIKLHEKUWPJ-CRAIPNDOSA-N 1 0 316.401 2.077 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236224373 1138340959 /nfs/dbraw/zinc/34/09/59/1138340959.db2.gz VBJFYYYYYFYQAV-INIZCTEOSA-N 1 0 303.450 2.478 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)cc1OC ZINC001236748896 1138405559 /nfs/dbraw/zinc/40/55/59/1138405559.db2.gz BVROOXMLOQBAGK-KRWDZBQOSA-N 1 0 309.406 2.392 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812029 1138436570 /nfs/dbraw/zinc/43/65/70/1138436570.db2.gz YFCCNNOOVVVYOD-DGCLKSJQSA-N 1 0 307.390 2.340 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)c1 ZINC001236816047 1138438202 /nfs/dbraw/zinc/43/82/02/1138438202.db2.gz QIQKFVDFHHDJKQ-CYBMUJFWSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c(O)c1 ZINC001236815669 1138438286 /nfs/dbraw/zinc/43/82/86/1138438286.db2.gz MLMYYFTVEUEIDB-CQSZACIVSA-N 1 0 320.433 2.446 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236815415 1138438635 /nfs/dbraw/zinc/43/86/35/1138438635.db2.gz LIRKNQWJBFITJH-CYBMUJFWSA-N 1 0 307.390 2.484 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC001237058918 1138492827 /nfs/dbraw/zinc/49/28/27/1138492827.db2.gz BXTGXIKLOIWGOB-VIFPVBQESA-N 1 0 316.195 2.120 20 10 DECDRO CCOc1ccc(CN2CCO[C@H](C[NH+](CC)CC)C2)c(O)c1 ZINC001237047272 1138488388 /nfs/dbraw/zinc/48/83/88/1138488388.db2.gz KZLOLWHRYDPNLI-QGZVFWFLSA-N 1 0 322.449 2.334 20 10 DECDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237672932 1138748989 /nfs/dbraw/zinc/74/89/89/1138748989.db2.gz BHHWPQGWJBYNEM-LBPRGKRZSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(O)c(OC)c1 ZINC001237678540 1138752433 /nfs/dbraw/zinc/75/24/33/1138752433.db2.gz PEIYWMWPVQPUAY-KRWDZBQOSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237678357 1138753028 /nfs/dbraw/zinc/75/30/28/1138753028.db2.gz YEGLBSGITZRDCZ-FZMZJTMJSA-N 1 0 305.374 2.210 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237686715 1138759053 /nfs/dbraw/zinc/75/90/53/1138759053.db2.gz XDCWINMXLNVLLO-UHFFFAOYSA-N 1 0 316.195 2.458 20 10 DECDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)c(Cl)cc1O ZINC001237935344 1138811109 /nfs/dbraw/zinc/81/11/09/1138811109.db2.gz CPXXJSMOODYORZ-UHFFFAOYSA-N 1 0 317.836 2.110 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c1O ZINC001238067281 1138819671 /nfs/dbraw/zinc/81/96/71/1138819671.db2.gz RHABDEQTASGNKB-AWEZNQCLSA-N 1 0 303.337 2.283 20 10 DECDRO CC(C)CCOC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239318734 1139020667 /nfs/dbraw/zinc/02/06/67/1139020667.db2.gz 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CC[NH+](CC)[C@@H]1CCN(Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249208109 1141860307 /nfs/dbraw/zinc/86/03/07/1141860307.db2.gz MTPWPLCTZKNKJI-MRXNPFEDSA-N 1 0 320.433 2.024 20 10 DECDRO C[C@H]1CN(C)C(=O)CN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258127 1141865393 /nfs/dbraw/zinc/86/53/93/1141865393.db2.gz CZLZGBWZIPKFAE-LBPRGKRZSA-N 1 0 316.401 2.239 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=S)NCC[NH+](C)C ZINC001249833451 1142039904 /nfs/dbraw/zinc/03/99/04/1142039904.db2.gz ARDMCQUQCUUDOP-UHFFFAOYSA-N 1 0 320.506 2.155 20 10 DECDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324379341 1142066032 /nfs/dbraw/zinc/06/60/32/1142066032.db2.gz UGJBTBLGDYEPMT-HNNXBMFYSA-N 1 0 323.456 2.076 20 10 DECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324378170 1142066197 /nfs/dbraw/zinc/06/61/97/1142066197.db2.gz KMUTVWVMLODGGB-CQSZACIVSA-N 1 0 323.456 2.217 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336253350 1142388170 /nfs/dbraw/zinc/38/81/70/1142388170.db2.gz 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ZINC001339892461 1143161474 /nfs/dbraw/zinc/16/14/74/1143161474.db2.gz HMXQDKRRBXAKAH-HNNXBMFYSA-N 1 0 305.397 2.040 20 10 DECDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255336932 1143562668 /nfs/dbraw/zinc/56/26/68/1143562668.db2.gz GDUUDDUCDBRWFM-KBPBESRZSA-N 1 0 307.390 2.352 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[NH2+]CCC23CCC3)cc1 ZINC001341688956 1143665252 /nfs/dbraw/zinc/66/52/52/1143665252.db2.gz NCUWSJHCVGIBSL-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001255496328 1143716655 /nfs/dbraw/zinc/71/66/55/1143716655.db2.gz ZZMUZUKUDLRFKT-MRXNPFEDSA-N 1 0 303.450 2.220 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@H](CO)C(C)(C)C)cc2F)CC1 ZINC001256043518 1143824186 /nfs/dbraw/zinc/82/41/86/1143824186.db2.gz YXIFPFYEGCKHSZ-QGZVFWFLSA-N 1 0 323.456 2.074 20 10 DECDRO CN1CCN(c2ccc(C[N@H+](C)CCCCCO)cc2F)CC1 ZINC001256212705 1143837312 /nfs/dbraw/zinc/83/73/12/1143837312.db2.gz XOBRPZJCVSVONW-UHFFFAOYSA-N 1 0 323.456 2.172 20 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CC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000066862532 354736369 /nfs/dbraw/zinc/73/63/69/354736369.db2.gz CFVWEGCYYQMLOT-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO COc1ccc(N2CC[NH+](CCn3nc(C)cc3C)CC2)cc1 ZINC000068783341 354832360 /nfs/dbraw/zinc/83/23/60/354832360.db2.gz LQAWXPVXDOGEBV-UHFFFAOYSA-N 1 0 314.433 2.331 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(CO)CO ZINC000093502543 355683793 /nfs/dbraw/zinc/68/37/93/355683793.db2.gz YQJKZOMNCXIEFE-UHFFFAOYSA-N 1 0 306.450 2.100 20 10 DECDRO COc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC000371420423 533476086 /nfs/dbraw/zinc/47/60/86/533476086.db2.gz XDKXSEDJLNBEFP-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297404121 533542395 /nfs/dbraw/zinc/54/23/95/533542395.db2.gz SRVHRVREVWGNGS-WBVHZDCISA-N 1 0 305.466 2.250 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000272108265 130000070 /nfs/dbraw/zinc/00/00/70/130000070.db2.gz GCGJWXATOUZABL-NSHDSACASA-N 1 0 313.781 2.057 20 10 DECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272581938 130043568 /nfs/dbraw/zinc/04/35/68/130043568.db2.gz FCESCVXFFSZLMY-LOWQCSRCSA-N 1 0 318.417 2.444 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000272765161 130061479 /nfs/dbraw/zinc/06/14/79/130061479.db2.gz RCGZHSRUGMIUKG-CQSZACIVSA-N 1 0 318.417 2.210 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000273404495 130117157 /nfs/dbraw/zinc/11/71/57/130117157.db2.gz ODUYCVSGDVXNOE-CHWSQXEVSA-N 1 0 323.458 2.356 20 10 DECDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273550465 130134821 /nfs/dbraw/zinc/13/48/21/130134821.db2.gz FVURMRDBVTUVGF-XIKOKIGWSA-N 1 0 315.417 2.389 20 10 DECDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275337365 130305925 /nfs/dbraw/zinc/30/59/25/130305925.db2.gz OAOJIJFDIGJHBU-GXSJLCMTSA-N 1 0 318.211 2.121 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 ZINC000275671920 130359816 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CCOc1ccc(O)c(C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)c1 ZINC000186591764 402445724 /nfs/dbraw/zinc/44/57/24/402445724.db2.gz XFLAVIBHYHCHKP-WMZOPIPTSA-N 1 0 323.433 2.447 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000175627082 402822878 /nfs/dbraw/zinc/82/28/78/402822878.db2.gz OAZRMKKTXYZQPO-UHFFFAOYSA-N 1 0 323.364 2.319 20 10 DECDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000278606853 402869170 /nfs/dbraw/zinc/86/91/70/402869170.db2.gz IIHNQAYIZQTUOD-YJBOKZPZSA-N 1 0 304.434 2.306 20 10 DECDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278821494 402874891 /nfs/dbraw/zinc/87/48/91/402874891.db2.gz ZKMJLRQGSHMSNN-MRXNPFEDSA-N 1 0 324.377 2.436 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280619458 403019730 /nfs/dbraw/zinc/01/97/30/403019730.db2.gz ZPGIVZFHGKTBGP-AHIWAGSCSA-N 1 0 307.390 2.169 20 10 DECDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268848292 403119523 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COC[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000273432460 293109162 /nfs/dbraw/zinc/10/91/62/293109162.db2.gz LFVJQXLABKPKHJ-KOLCDFICSA-N 1 0 318.211 2.467 20 10 DECDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(Br)cc1O ZINC000185264783 333206380 /nfs/dbraw/zinc/20/63/80/333206380.db2.gz WOTYXXDMSGOENC-SECBINFHSA-N 1 0 315.211 2.284 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001357160686 1152260836 /nfs/dbraw/zinc/26/08/36/1152260836.db2.gz PPTFWVVZSYNDFB-GFCCVEGCSA-N 1 0 311.813 2.329 20 10 DECDRO CNC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027911 649868550 /nfs/dbraw/zinc/86/85/50/649868550.db2.gz IDTLWZSXDOZRSL-DQOPKJQZSA-N 1 0 301.434 2.224 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](CO)SC)c1O ZINC000230934746 533952895 /nfs/dbraw/zinc/95/28/95/533952895.db2.gz PNEKJTXXUKUFMD-PELKAZGASA-N 1 0 305.827 2.256 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000195097040 534003259 /nfs/dbraw/zinc/00/32/59/534003259.db2.gz BXWHTQBGAZQTIT-UHFFFAOYSA-N 1 0 300.406 2.141 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1F ZINC000288471941 517914533 /nfs/dbraw/zinc/91/45/33/517914533.db2.gz FUVVCYLADFEAJI-MAUKXSAKSA-N 1 0 316.376 2.476 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1 ZINC000835028473 649868647 /nfs/dbraw/zinc/86/86/47/649868647.db2.gz RKFCMELKTYDYEA-FUTAKVPZSA-N 1 0 301.434 2.496 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CCO)CCOCC2)cc1 ZINC000835033181 649869424 /nfs/dbraw/zinc/86/94/24/649869424.db2.gz QJVVQRLCDNEKLQ-ARJAWSKDSA-N 1 0 304.434 2.287 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000835035477 649869909 /nfs/dbraw/zinc/86/99/09/649869909.db2.gz ILFRTPHEJXOYMK-HYXAFXHYSA-N 1 0 311.433 2.136 20 10 DECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000188893067 520215560 /nfs/dbraw/zinc/21/55/60/520215560.db2.gz LNLCSQVRVJHRFO-VIFPVBQESA-N 1 0 315.211 2.111 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000364220754 520899655 /nfs/dbraw/zinc/89/96/55/520899655.db2.gz YTJXVSHZXCYTHM-FUHWJXTLSA-N 1 0 301.434 2.149 20 10 DECDRO CCOc1cccc(C[NH2+]Cc2ccc(C(=O)OC)o2)c1O ZINC000265124383 521369445 /nfs/dbraw/zinc/36/94/45/521369445.db2.gz FEEULIWIOUBUFA-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO COc1cc(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1OC ZINC000159830725 522775545 /nfs/dbraw/zinc/77/55/45/522775545.db2.gz GFIOMXZLAUUMQS-LBPRGKRZSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1OC ZINC000181616425 522782497 /nfs/dbraw/zinc/78/24/97/522782497.db2.gz LQOJRQYTWHWVBZ-ZDUSSCGKSA-N 1 0 320.389 2.395 20 10 DECDRO COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191201786 523584729 /nfs/dbraw/zinc/58/47/29/523584729.db2.gz JAWRNGJODCUQIL-LLVKDONJSA-N 1 0 302.365 2.289 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1CO ZINC000191724867 524983460 /nfs/dbraw/zinc/98/34/60/524983460.db2.gz NGWQJMWMSJDYEF-KOLCDFICSA-N 1 0 300.196 2.215 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000189278679 525503334 /nfs/dbraw/zinc/50/33/34/525503334.db2.gz BRIUSTXNFHHJRY-YCPHGPKFSA-N 1 0 322.424 2.474 20 10 DECDRO CSC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000188057630 525646101 /nfs/dbraw/zinc/64/61/01/525646101.db2.gz GWLPLXDOMXSFAS-GJZGRUSLSA-N 1 0 311.447 2.097 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000180066432 526349712 /nfs/dbraw/zinc/34/97/12/526349712.db2.gz FDZZGDNHOHNVAH-CQSZACIVSA-N 1 0 308.397 2.076 20 10 DECDRO CCN(C)C(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000178192087 529117128 /nfs/dbraw/zinc/11/71/28/529117128.db2.gz JKUAKGSRQOVHDA-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO COC[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)OC ZINC000273481912 536630232 /nfs/dbraw/zinc/63/02/32/536630232.db2.gz UUXVTBFDUYENHN-MWLCHTKSSA-N 1 0 318.211 2.467 20 10 DECDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000835039143 649870344 /nfs/dbraw/zinc/87/03/44/649870344.db2.gz BLAWOFLDAHDDQA-VGOKWCNXSA-N 1 0 317.477 2.324 20 10 DECDRO CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835043144 649870778 /nfs/dbraw/zinc/87/07/78/649870778.db2.gz NKYTZXTXUSLAKY-JFDDCEBESA-N 1 0 301.434 2.366 20 10 DECDRO CCOC1CC(O)(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835047535 649871314 /nfs/dbraw/zinc/87/13/14/649871314.db2.gz BAALVFUAGZQJRB-WAYWQWQTSA-N 1 0 304.434 2.285 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054476 649872923 /nfs/dbraw/zinc/87/29/23/649872923.db2.gz QAPYHYJDDWHNPP-RTRPANQVSA-N 1 0 317.477 2.418 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NCCc1ccccc1 ZINC000835072604 649875273 /nfs/dbraw/zinc/87/52/73/649875273.db2.gz HXUGWNYBHGBXDB-CYBMUJFWSA-N 1 0 316.376 2.368 20 10 DECDRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000821610958 606971803 /nfs/dbraw/zinc/97/18/03/606971803.db2.gz LNOYDQPAEUGGFY-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770141 625431515 /nfs/dbraw/zinc/43/15/15/625431515.db2.gz QUPGWYZUJUXDKK-LBPRGKRZSA-N 1 0 317.393 2.311 20 10 DECDRO CC(C)[C@H](F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246778 623790521 /nfs/dbraw/zinc/79/05/21/623790521.db2.gz DJDKIKGQEXBPJC-CVEARBPZSA-N 1 0 309.429 2.466 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccoc2)[NH+](C)C)cc1 ZINC000891248812 623794797 /nfs/dbraw/zinc/79/47/97/623794797.db2.gz OFIJXJKYCLCZEJ-QGZVFWFLSA-N 1 0 315.417 2.307 20 10 DECDRO CC[C@@H](C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251059 623797314 /nfs/dbraw/zinc/79/73/14/623797314.db2.gz CRFINMNLSKFUIV-RHSMWYFYSA-N 1 0 321.465 2.287 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000891390872 624138499 /nfs/dbraw/zinc/13/84/99/624138499.db2.gz MVQPRLVZGBQKCX-DZGCQCFKSA-N 1 0 304.438 2.164 20 10 DECDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccnc3)SC2=S)CC1 ZINC000255774589 625712213 /nfs/dbraw/zinc/71/22/13/625712213.db2.gz MYPODVGVSTZQFJ-UKTHLTGXSA-N 1 0 319.455 2.377 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000891534575 624471350 /nfs/dbraw/zinc/47/13/50/624471350.db2.gz ODYYQBVMQNKTAK-HDJSIYSDSA-N 1 0 322.428 2.208 20 10 DECDRO COc1ccc(N2CCCN(c3cc[nH+]cc3CO)CC2)cc1 ZINC000891933088 624669239 /nfs/dbraw/zinc/66/92/39/624669239.db2.gz ANUYDRIJSKCJDJ-UHFFFAOYSA-N 1 0 313.401 2.299 20 10 DECDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092938486 624793338 /nfs/dbraw/zinc/79/33/38/624793338.db2.gz DUKCPFLXENGUNC-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1O ZINC000892189543 624832617 /nfs/dbraw/zinc/83/26/17/624832617.db2.gz YISBUAFCLFZPMH-XDQVBPFNSA-N 1 0 303.406 2.141 20 10 DECDRO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023146369 625169475 /nfs/dbraw/zinc/16/94/75/625169475.db2.gz SNNLIBKOHQEFFT-OKILXGFUSA-N 1 0 317.393 2.355 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC001019853861 625841151 /nfs/dbraw/zinc/84/11/51/625841151.db2.gz BWGQBXHIENKKQU-AWEZNQCLSA-N 1 0 315.377 2.063 20 10 DECDRO CN(C)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921742786 634820984 /nfs/dbraw/zinc/82/09/84/634820984.db2.gz NEMQDUNKEXXNQP-UHFFFAOYSA-N 1 0 304.434 2.212 20 10 DECDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000186359461 634171027 /nfs/dbraw/zinc/17/10/27/634171027.db2.gz PJFZBTNRQYUMFV-LBPRGKRZSA-N 1 0 322.405 2.357 20 10 DECDRO CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001030745 635392326 /nfs/dbraw/zinc/39/23/26/635392326.db2.gz KICIKFYWRLKJBB-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 ZINC000840964695 635817023 /nfs/dbraw/zinc/81/70/23/635817023.db2.gz VBIDQTRVQMXXNU-BFYDXBDKSA-N 1 0 304.434 2.426 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001003245408 635927765 /nfs/dbraw/zinc/92/77/65/635927765.db2.gz WFUJHPLYHIKRQL-UHFFFAOYSA-N 1 0 321.421 2.093 20 10 DECDRO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c(O)c1O ZINC000922172285 635963607 /nfs/dbraw/zinc/96/36/07/635963607.db2.gz UMPIUYHZSKZWID-UHFFFAOYSA-N 1 0 304.390 2.107 20 10 DECDRO CCC[N@H+](CCO)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000893892667 636061736 /nfs/dbraw/zinc/06/17/36/636061736.db2.gz BDBFTWPICQUDLB-UHFFFAOYSA-N 1 0 322.380 2.308 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1O ZINC000922523694 636217088 /nfs/dbraw/zinc/21/70/88/636217088.db2.gz CPKIBDGGVJWJMX-KBPBESRZSA-N 1 0 308.447 2.070 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000922641424 636296658 /nfs/dbraw/zinc/29/66/58/636296658.db2.gz LJCVPZQLHWDMAJ-KWQFWETISA-N 1 0 316.195 2.288 20 10 DECDRO Cn1nc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1C1CC1 ZINC000922956942 636883511 /nfs/dbraw/zinc/88/35/11/636883511.db2.gz GGDARRIRTDATLZ-UHFFFAOYSA-N 1 0 301.346 2.022 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000922992733 636901185 /nfs/dbraw/zinc/90/11/85/636901185.db2.gz YJYKWZGIBRWNEG-FOSCPCJNSA-N 1 0 311.433 2.041 20 10 DECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756578070 636903113 /nfs/dbraw/zinc/90/31/13/636903113.db2.gz WJNZKKNXUVQGDH-ZANVPECISA-N 1 0 318.211 2.203 20 10 DECDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(O)c1OC ZINC000894446667 637042875 /nfs/dbraw/zinc/04/28/75/637042875.db2.gz SPCKNZDRFXJOME-HIFRSBDPSA-N 1 0 320.433 2.468 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000894473951 637060954 /nfs/dbraw/zinc/06/09/54/637060954.db2.gz KBORNBYERIOORN-UHFFFAOYSA-N 1 0 319.430 2.344 20 10 DECDRO C[C@H]1[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000928427350 637083301 /nfs/dbraw/zinc/08/33/01/637083301.db2.gz JNDKGJMRFFIACH-WCBMZHEXSA-N 1 0 306.387 2.135 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c(O)c1OC ZINC000894551980 637103030 /nfs/dbraw/zinc/10/30/30/637103030.db2.gz HBPIDAFFRXHIGN-INIZCTEOSA-N 1 0 309.406 2.296 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c(O)c1OC ZINC000894858676 637265099 /nfs/dbraw/zinc/26/50/99/637265099.db2.gz KJBOAKJENGEGNJ-KBPBESRZSA-N 1 0 307.390 2.457 20 10 DECDRO [O-]c1c(F)cc(F)cc1C[N@@H+](CCO)C1CCSCC1 ZINC000894930557 637335394 /nfs/dbraw/zinc/33/53/94/637335394.db2.gz ZHNYVPSNRFMWII-UHFFFAOYSA-N 1 0 303.374 2.360 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H]3COC(C)(C)O3)C2)cc1 ZINC000895006159 637368379 /nfs/dbraw/zinc/36/83/79/637368379.db2.gz NMFSKMXJLJHXPN-YOEHRIQHSA-N 1 0 320.433 2.263 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C)(C)CC2)cc1 ZINC000726970334 637473758 /nfs/dbraw/zinc/47/37/58/637473758.db2.gz PCPOUMHYCIIVGG-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1cccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895071969 637489960 /nfs/dbraw/zinc/48/99/60/637489960.db2.gz ZMTYKROZBDPVAQ-UHFFFAOYSA-N 1 0 313.401 2.488 20 10 DECDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000838478865 637582318 /nfs/dbraw/zinc/58/23/18/637582318.db2.gz NATAKMZYAADICK-MRXNPFEDSA-N 1 0 318.465 2.297 20 10 DECDRO COCC[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145113 637788403 /nfs/dbraw/zinc/78/84/03/637788403.db2.gz LBVAGYVGBRDAPG-LBPRGKRZSA-N 1 0 314.376 2.316 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1 ZINC000840876109 650370231 /nfs/dbraw/zinc/37/02/31/650370231.db2.gz KKTMMQUKIHUOBF-NSHDSACASA-N 1 0 315.435 2.265 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Cl)ccc1O ZINC000840885850 650371235 /nfs/dbraw/zinc/37/12/35/650371235.db2.gz ZPDFSHRSRVAWDY-VIFPVBQESA-N 1 0 303.811 2.273 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000839481620 637887978 /nfs/dbraw/zinc/88/79/78/637887978.db2.gz RZSLNGCAZYUWPS-KRWDZBQOSA-N 1 0 301.434 2.243 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H]3COC(C)(C)O3)C2)cc1 ZINC000895311213 637914083 /nfs/dbraw/zinc/91/40/83/637914083.db2.gz WBMCITZYOYMFOF-BBRMVZONSA-N 1 0 306.406 2.015 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c(O)c1OC ZINC000895315919 637918618 /nfs/dbraw/zinc/91/86/18/637918618.db2.gz FFPWYAVVGDAMLO-CYBMUJFWSA-N 1 0 308.422 2.372 20 10 DECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741140384 637942843 /nfs/dbraw/zinc/94/28/43/637942843.db2.gz QDBSDIGOPNXNCV-STQMWFEESA-N 1 0 307.413 2.381 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370643 638064713 /nfs/dbraw/zinc/06/47/13/638064713.db2.gz GHMUTNHPQKPHET-ZBFHGGJFSA-N 1 0 322.474 2.200 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000840938686 650390098 /nfs/dbraw/zinc/39/00/98/650390098.db2.gz FGTRFMFSRWKBTG-MRXNPFEDSA-N 1 0 316.449 2.097 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1 ZINC000840956964 650394822 /nfs/dbraw/zinc/39/48/22/650394822.db2.gz BPQCJZZSUGFERM-INIZCTEOSA-N 1 0 303.450 2.443 20 10 DECDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722630 638166510 /nfs/dbraw/zinc/16/65/10/638166510.db2.gz YDLNBJMCGDUJGN-AWEZNQCLSA-N 1 0 311.809 2.409 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000840974016 650397641 /nfs/dbraw/zinc/39/76/41/650397641.db2.gz ZYLWMMKQSXSMLH-UHFFFAOYSA-N 1 0 307.415 2.460 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000743811733 638175900 /nfs/dbraw/zinc/17/59/00/638175900.db2.gz WMTPILWJYRUXKJ-UKRRQHHQSA-N 1 0 304.438 2.035 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000840978190 650398641 /nfs/dbraw/zinc/39/86/41/650398641.db2.gz PZAKOPRRKRLYDU-JTQLQIEISA-N 1 0 315.822 2.384 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780315 638198956 /nfs/dbraw/zinc/19/89/56/638198956.db2.gz GPCKCPCPYLMUGM-ISTVAULSSA-N 1 0 312.207 2.357 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895845812 638220681 /nfs/dbraw/zinc/22/06/81/638220681.db2.gz PBCZTKDNKLZWMK-CYBMUJFWSA-N 1 0 305.296 2.148 20 10 DECDRO CCCn1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841043373 650412606 /nfs/dbraw/zinc/41/26/06/650412606.db2.gz OEGLVTWQYGFGQI-KRWDZBQOSA-N 1 0 301.438 2.149 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(O)c1OC ZINC000896060542 638332062 /nfs/dbraw/zinc/33/20/62/638332062.db2.gz KNXXWVNFPQOYER-JSGCOSHPSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1ccc2ncc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)n2c1 ZINC000841045811 650413571 /nfs/dbraw/zinc/41/35/71/650413571.db2.gz QPNREGITPLMWMP-GOSISDBHSA-N 1 0 323.444 2.498 20 10 DECDRO COC[C@]1(CNC/C=C/c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841067910 650420841 /nfs/dbraw/zinc/42/08/41/650420841.db2.gz QMCBIMPSDNJPEN-MJICGBHWSA-N 1 0 303.450 2.124 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1O ZINC000896668279 638628797 /nfs/dbraw/zinc/62/87/97/638628797.db2.gz WEADREDWPQCINM-QGZVFWFLSA-N 1 0 309.406 2.383 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)c1 ZINC000186018914 639089559 /nfs/dbraw/zinc/08/95/59/639089559.db2.gz DRZBCGJGQMJSSH-STQMWFEESA-N 1 0 306.406 2.452 20 10 DECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000754773047 639472211 /nfs/dbraw/zinc/47/22/11/639472211.db2.gz HMSNOKVOOCPBDM-CQSZACIVSA-N 1 0 313.401 2.241 20 10 DECDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000021960298 639521240 /nfs/dbraw/zinc/52/12/40/639521240.db2.gz BOXAJNYNHHBBHI-UHFFFAOYSA-N 1 0 321.384 2.053 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756413098 639660117 /nfs/dbraw/zinc/66/01/17/639660117.db2.gz BQKPJHXICIQWHI-OUCADQQQSA-N 1 0 308.397 2.390 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756659209 639683195 /nfs/dbraw/zinc/68/31/95/639683195.db2.gz PMGIUZZVYACBAE-CKYFFXLPSA-N 1 0 315.410 2.492 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Br)ccc1O ZINC000756662165 639683647 /nfs/dbraw/zinc/68/36/47/639683647.db2.gz WWHWIWMNARZNMA-JGVFFNPUSA-N 1 0 301.184 2.069 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000756759545 639691972 /nfs/dbraw/zinc/69/19/72/639691972.db2.gz KSRXFUDHPHQDDL-UONOGXRCSA-N 1 0 305.422 2.463 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C2CCC([NH3+])CC2)cc1 ZINC000841654571 650530502 /nfs/dbraw/zinc/53/05/02/650530502.db2.gz NDRQFBKOIHAILR-UHFFFAOYSA-N 1 0 304.438 2.164 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000841656113 650531191 /nfs/dbraw/zinc/53/11/91/650531191.db2.gz WJBAGWMYNSAQTR-FKEKPDDDSA-N 1 0 316.449 2.177 20 10 DECDRO COC(C)(C)C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000758811848 639996306 /nfs/dbraw/zinc/99/63/06/639996306.db2.gz GDTSSKJSLCKBND-UHFFFAOYSA-N 1 0 321.465 2.068 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000841718851 650550458 /nfs/dbraw/zinc/55/04/58/650550458.db2.gz CUJHGGKFODLCNQ-MRXNPFEDSA-N 1 0 318.465 2.474 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000841717895 650550570 /nfs/dbraw/zinc/55/05/70/650550570.db2.gz NXDGTXFDRSULJN-SFHVURJKSA-N 1 0 318.465 2.413 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000841709578 650546922 /nfs/dbraw/zinc/54/69/22/650546922.db2.gz IBQQYWXJYDNJSY-ZBFHGGJFSA-N 1 0 316.449 2.227 20 10 DECDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709984 650546979 /nfs/dbraw/zinc/54/69/79/650546979.db2.gz QVQYAFUYFSGLKQ-HZPDHXFCSA-N 1 0 316.449 2.213 20 10 DECDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709138 650547059 /nfs/dbraw/zinc/54/70/59/650547059.db2.gz CPVREFPYDMCQQP-INIZCTEOSA-N 1 0 304.438 2.069 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC(=O)NCc2ccco2)c1O ZINC000761197975 640284149 /nfs/dbraw/zinc/28/41/49/640284149.db2.gz JJJWHGDPGGFIJC-UHFFFAOYSA-N 1 0 324.764 2.053 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000761216101 640287074 /nfs/dbraw/zinc/28/70/74/640287074.db2.gz LAZLLVXRVZGYLC-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841823875 650571030 /nfs/dbraw/zinc/57/10/30/650571030.db2.gz IVLTUCBIWZPCOB-CZUORRHYSA-N 1 0 318.465 2.187 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841823836 650571102 /nfs/dbraw/zinc/57/11/02/650571102.db2.gz HOKYYFIWAHPHSW-IYBDPMFKSA-N 1 0 316.449 2.097 20 10 DECDRO CC[NH2+]CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000841798414 650566997 /nfs/dbraw/zinc/56/69/97/650566997.db2.gz IPMHIIMGIBNDLD-UHFFFAOYSA-N 1 0 310.417 2.081 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841828280 650573884 /nfs/dbraw/zinc/57/38/84/650573884.db2.gz RPXANLMSKGYFKV-QGZVFWFLSA-N 1 0 316.449 2.097 20 10 DECDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc2ccccc2c1O ZINC000762788759 640459564 /nfs/dbraw/zinc/45/95/64/640459564.db2.gz QOCDXNQFCKESBM-FZKQIMNGSA-N 1 0 300.402 2.263 20 10 DECDRO C[C@@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000841854517 650581150 /nfs/dbraw/zinc/58/11/50/650581150.db2.gz RBONGBSMSRHWSZ-CYBMUJFWSA-N 1 0 306.454 2.087 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881606 650591176 /nfs/dbraw/zinc/59/11/76/650591176.db2.gz SWDDNIDHFUQZDY-ZFWWWQNUSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880522 650591332 /nfs/dbraw/zinc/59/13/32/650591332.db2.gz BUFXPILEUIRISU-GZBFAFLISA-N 1 0 304.438 2.240 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000841882139 650592147 /nfs/dbraw/zinc/59/21/47/650592147.db2.gz WPOPLIUVDNKHHB-LXZKKBNFSA-N 1 0 316.449 2.207 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841891677 650595626 /nfs/dbraw/zinc/59/56/26/650595626.db2.gz OMXYIASYGAOYMN-BJHJDKERSA-N 1 0 300.196 2.466 20 10 DECDRO C[NH2+]CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841914559 650602017 /nfs/dbraw/zinc/60/20/17/650602017.db2.gz GDSJGSXHTPBTAD-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCCC[NH2+]1 ZINC000841921174 650602737 /nfs/dbraw/zinc/60/27/37/650602737.db2.gz SLBCVTXRAHPTSE-AWEZNQCLSA-N 1 0 317.433 2.212 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCC[NH2+]C1 ZINC000841923437 650603340 /nfs/dbraw/zinc/60/33/40/650603340.db2.gz GRWBCOPLBYRDLY-ZDUSSCGKSA-N 1 0 317.433 2.070 20 10 DECDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765335201 640767858 /nfs/dbraw/zinc/76/78/58/640767858.db2.gz STJXAUMTSOWNTP-HNNXBMFYSA-N 1 0 319.449 2.042 20 10 DECDRO CC(C)[C@@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841943475 650608007 /nfs/dbraw/zinc/60/80/07/650608007.db2.gz KNXRZNJKHYHFCB-KRWDZBQOSA-N 1 0 318.465 2.410 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[NH2+]CC1 ZINC000841977719 650618048 /nfs/dbraw/zinc/61/80/48/650618048.db2.gz ISMPXSCDKFLBNR-AWEZNQCLSA-N 1 0 317.433 2.212 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CC34CC(O)C4)CC2)cc1 ZINC000897848279 640952084 /nfs/dbraw/zinc/95/20/84/640952084.db2.gz JNMAVTIELFPVDA-IIIMJFFVSA-N 1 0 302.418 2.167 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841989674 650620991 /nfs/dbraw/zinc/62/09/91/650620991.db2.gz WDSMWTFKJOURSQ-UKRRQHHQSA-N 1 0 305.422 2.454 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CCO)C2CCCC2)c(O)c1OC ZINC000897882218 640961927 /nfs/dbraw/zinc/96/19/27/640961927.db2.gz GYESWFBGRTWQRA-AWEZNQCLSA-N 1 0 309.406 2.440 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898059009 641012159 /nfs/dbraw/zinc/01/21/59/641012159.db2.gz VYHAONKSZSENND-QGZVFWFLSA-N 1 0 301.390 2.230 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2ccc(CCO)cc2)cc1OC ZINC000898170220 641042711 /nfs/dbraw/zinc/04/27/11/641042711.db2.gz CPIKREUSOYUQET-UHFFFAOYSA-N 1 0 317.385 2.234 20 10 DECDRO CC(C)COC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768442137 641082344 /nfs/dbraw/zinc/08/23/44/641082344.db2.gz JIVBPHMZHWPUOM-KRWDZBQOSA-N 1 0 321.417 2.455 20 10 DECDRO C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463702 641084949 /nfs/dbraw/zinc/08/49/49/641084949.db2.gz LLNWMVIJHDDXLF-INIZCTEOSA-N 1 0 307.390 2.067 20 10 DECDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3c(O)cccc3Cl)CC2)C1 ZINC000769381513 641229887 /nfs/dbraw/zinc/22/98/87/641229887.db2.gz PDZVUMQHJJHJTR-AWEZNQCLSA-N 1 0 323.868 2.257 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCOC1 ZINC000770675398 641406803 /nfs/dbraw/zinc/40/68/03/641406803.db2.gz FDPODIZWWCXNFX-KRWDZBQOSA-N 1 0 324.396 2.094 20 10 DECDRO CCN(C)c1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1 ZINC000842163583 650663650 /nfs/dbraw/zinc/66/36/50/650663650.db2.gz QBOJPLLAIRVIHU-CVEARBPZSA-N 1 0 305.466 2.030 20 10 DECDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCOC1 ZINC000771895528 641566499 /nfs/dbraw/zinc/56/64/99/641566499.db2.gz GVLDYWZACAEEFC-KRWDZBQOSA-N 1 0 308.397 2.321 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H]2COC(C)(C)O2)N(C)C)cc1 ZINC000898448709 641660848 /nfs/dbraw/zinc/66/08/48/641660848.db2.gz VGWWYHFLHWMRGT-IRXDYDNUSA-N 1 0 321.465 2.096 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnccn1 ZINC000898448916 641661228 /nfs/dbraw/zinc/66/12/28/641661228.db2.gz ZEUHTGIAWWDLNY-KBXCAEBGSA-N 1 0 313.449 2.496 20 10 DECDRO Cc1cnn(C)c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450923 641662200 /nfs/dbraw/zinc/66/22/00/641662200.db2.gz VRVSUDKMCYNQCF-SFHVURJKSA-N 1 0 315.465 2.187 20 10 DECDRO Cc1n[nH]c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000898448029 641666578 /nfs/dbraw/zinc/66/65/78/641666578.db2.gz OKWXBEHJHKTBGN-GOSISDBHSA-N 1 0 315.465 2.485 20 10 DECDRO CCn1ccnc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898452490 641666715 /nfs/dbraw/zinc/66/67/15/641666715.db2.gz YSSARQCIKLTWBX-KRWDZBQOSA-N 1 0 315.465 2.362 20 10 DECDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773103670 641728624 /nfs/dbraw/zinc/72/86/24/641728624.db2.gz JSBPCMYCBJWXQB-CJNGLKHVSA-N 1 0 322.424 2.474 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1 ZINC000773328928 641759564 /nfs/dbraw/zinc/75/95/64/641759564.db2.gz OIIKBZAHVIFNGQ-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO CCOCC[NH+]1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773758353 641821336 /nfs/dbraw/zinc/82/13/36/641821336.db2.gz UAVCCAVVNYNNQO-UHFFFAOYSA-N 1 0 305.466 2.297 20 10 DECDRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000773760227 641821378 /nfs/dbraw/zinc/82/13/78/641821378.db2.gz FNSAURPWQTWGIW-ZDUSSCGKSA-N 1 0 320.433 2.265 20 10 DECDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899101663 641934803 /nfs/dbraw/zinc/93/48/03/641934803.db2.gz KJKMBIQSJHPEMX-PBHICJAKSA-N 1 0 318.465 2.407 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@H+](CCO)CC(C)(C)C)cc2)CC1 ZINC000775680306 642078093 /nfs/dbraw/zinc/07/80/93/642078093.db2.gz ABOODRJRAHGRQR-UHFFFAOYSA-N 1 0 319.493 2.279 20 10 DECDRO C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775835422 642102972 /nfs/dbraw/zinc/10/29/72/642102972.db2.gz YOSOBECLPNGNQC-LBPRGKRZSA-N 1 0 320.437 2.028 20 10 DECDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775836095 642103809 /nfs/dbraw/zinc/10/38/09/642103809.db2.gz YWQDGPQITYVVAH-GFCCVEGCSA-N 1 0 302.378 2.338 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000776251459 642149181 /nfs/dbraw/zinc/14/91/81/642149181.db2.gz YUIPXPUOKGGTEP-AWEZNQCLSA-N 1 0 307.390 2.219 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000776867568 642213836 /nfs/dbraw/zinc/21/38/36/642213836.db2.gz DBVFFASMCLTERX-YSVLISHTSA-N 1 0 309.406 2.172 20 10 DECDRO Oc1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000842471177 650747583 /nfs/dbraw/zinc/74/75/83/650747583.db2.gz HQWKHLQSZVRTPI-NVXWUHKLSA-N 1 0 304.434 2.373 20 10 DECDRO O=C(CNc1ccccn1)NCCCSc1nccs1 ZINC000900684138 642443194 /nfs/dbraw/zinc/44/31/94/642443194.db2.gz YAZQZEYQWUMGCK-UHFFFAOYSA-N 1 0 308.432 2.249 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000779194143 642471071 /nfs/dbraw/zinc/47/10/71/642471071.db2.gz WBUPJTIFCAMBHB-LBPRGKRZSA-N 1 0 307.781 2.355 20 10 DECDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000842511911 650757980 /nfs/dbraw/zinc/75/79/80/650757980.db2.gz ZJLJEYKJWGYKPK-INIZCTEOSA-N 1 0 312.417 2.298 20 10 DECDRO Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(O)c1O ZINC000780918563 642688917 /nfs/dbraw/zinc/68/89/17/642688917.db2.gz VTGQSQNTRHEQFT-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO COC[C@H](C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000781529019 642762978 /nfs/dbraw/zinc/76/29/78/642762978.db2.gz ITQNZUIEGSLEBN-LBPRGKRZSA-N 1 0 318.211 2.214 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCC2)O1 ZINC000842644769 650793639 /nfs/dbraw/zinc/79/36/39/650793639.db2.gz HQZCKRJKRRXRBM-WBMJQRKESA-N 1 0 319.401 2.352 20 10 DECDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000783220334 642982909 /nfs/dbraw/zinc/98/29/09/642982909.db2.gz DLIIAOJNUBPRGW-UNEWFSDZSA-N 1 0 301.434 2.276 20 10 DECDRO OCC1CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000783601421 643026455 /nfs/dbraw/zinc/02/64/55/643026455.db2.gz XPOBBCVWIACGPH-SFHVURJKSA-N 1 0 318.461 2.412 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1F ZINC000842720708 650811398 /nfs/dbraw/zinc/81/13/98/650811398.db2.gz LCQMPVCOBURETN-AWEZNQCLSA-N 1 0 307.413 2.381 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1C ZINC000902640825 643095584 /nfs/dbraw/zinc/09/55/84/643095584.db2.gz NFPKWVAEKRXCNM-IAGOWNOFSA-N 1 0 304.434 2.040 20 10 DECDRO Fc1cc(C[NH2+]CC[C@@H]2CCOC2)ccc1N1CCOCC1 ZINC000784661793 643162300 /nfs/dbraw/zinc/16/23/00/643162300.db2.gz GXCBVKLTYYKATE-CQSZACIVSA-N 1 0 308.397 2.179 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784681336 643164253 /nfs/dbraw/zinc/16/42/53/643164253.db2.gz SVLLAFHTHVILRL-HNNXBMFYSA-N 1 0 301.386 2.484 20 10 DECDRO CC1(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000785431989 643234557 /nfs/dbraw/zinc/23/45/57/643234557.db2.gz NLYMAOCIZCUOPQ-HNNXBMFYSA-N 1 0 301.434 2.278 20 10 DECDRO C[C@@H]([NH2+]CCCc1nnnn1C)c1cc2c(cc1O)CCCC2 ZINC000903348894 643322877 /nfs/dbraw/zinc/32/28/77/643322877.db2.gz NTBCGGMDTPSHBV-GFCCVEGCSA-N 1 0 315.421 2.078 20 10 DECDRO COc1ccc(N2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903733393 643447818 /nfs/dbraw/zinc/44/78/18/643447818.db2.gz MONPXKXAOXFTPL-MRXNPFEDSA-N 1 0 303.450 2.207 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@H]1C ZINC000787422089 643493390 /nfs/dbraw/zinc/49/33/90/643493390.db2.gz ZHLHVPXCTNIAON-CABZTGNLSA-N 1 0 313.781 2.438 20 10 DECDRO Cc1cc(O)c(CN2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000903940718 643522017 /nfs/dbraw/zinc/52/20/17/643522017.db2.gz CLEKJPMEEJKUHU-UHFFFAOYSA-N 1 0 303.431 2.483 20 10 DECDRO COc1cc(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1OC ZINC000904430332 643666335 /nfs/dbraw/zinc/66/63/35/643666335.db2.gz GFWWAUCVFWJYIP-KRWDZBQOSA-N 1 0 306.406 2.127 20 10 DECDRO CCOc1ccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c(O)c1 ZINC000789766182 643771592 /nfs/dbraw/zinc/77/15/92/643771592.db2.gz XMYWOQCRHRIKCZ-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789938936 643792451 /nfs/dbraw/zinc/79/24/51/643792451.db2.gz JRQLAWIRPPRGHX-CYBMUJFWSA-N 1 0 318.348 2.270 20 10 DECDRO CC(C)(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000790431169 643851637 /nfs/dbraw/zinc/85/16/37/643851637.db2.gz SAQRQKGEOALMNK-HOCLYGCPSA-N 1 0 307.390 2.065 20 10 DECDRO CCCCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905527904 643945712 /nfs/dbraw/zinc/94/57/12/643945712.db2.gz ATPKSBNICCBVBW-UHFFFAOYSA-N 1 0 320.506 2.203 20 10 DECDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792777213 644151426 /nfs/dbraw/zinc/15/14/26/644151426.db2.gz KUJJFXKUADXVOV-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000792842606 644159241 /nfs/dbraw/zinc/15/92/41/644159241.db2.gz UBOXITRYDADMAU-STQMWFEESA-N 1 0 313.367 2.423 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000793230651 644212325 /nfs/dbraw/zinc/21/23/25/644212325.db2.gz HLSAHSVENFDPKL-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000794660565 644455710 /nfs/dbraw/zinc/45/57/10/644455710.db2.gz GQPCWDWDVQQNJA-DYVFJYSZSA-N 1 0 307.390 2.089 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@]3(CCCOC3)C1)CCC2 ZINC000795633671 644608351 /nfs/dbraw/zinc/60/83/51/644608351.db2.gz DVBSSEIOJZTIER-SFHVURJKSA-N 1 0 303.402 2.262 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000796036559 644677711 /nfs/dbraw/zinc/67/77/11/644677711.db2.gz OHVPHHGXFBYMJS-DYVFJYSZSA-N 1 0 307.390 2.171 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000796036561 644677759 /nfs/dbraw/zinc/67/77/59/644677759.db2.gz OHVPHHGXFBYMJS-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c(O)c1 ZINC000796455490 644739957 /nfs/dbraw/zinc/73/99/57/644739957.db2.gz XTVASZMKSQPVKD-OAHLLOKOSA-N 1 0 304.394 2.406 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(=O)n2ccccc2n1 ZINC000843350167 650954826 /nfs/dbraw/zinc/95/48/26/650954826.db2.gz OBMIKTKJTNNTPV-UHFFFAOYSA-N 1 0 320.396 2.106 20 10 DECDRO [NH3+]CCOCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000843357860 650956445 /nfs/dbraw/zinc/95/64/45/650956445.db2.gz WVORLNLIRLDKAF-UHFFFAOYSA-N 1 0 304.312 2.313 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000843433681 650974774 /nfs/dbraw/zinc/97/47/74/650974774.db2.gz GKXNSODOADSRNR-JUPLKNRCSA-N 1 0 315.417 2.196 20 10 DECDRO CC[N@H+](CCNC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000103614997 645091946 /nfs/dbraw/zinc/09/19/46/645091946.db2.gz CYCREGHJNUTMFP-CYBMUJFWSA-N 1 0 323.437 2.491 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000843489266 650983606 /nfs/dbraw/zinc/98/36/06/650983606.db2.gz LHRMFRDTDSMYRC-KPZWWZAWSA-N 1 0 314.385 2.452 20 10 DECDRO CCC[N@H+](C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917505 645294737 /nfs/dbraw/zinc/29/47/37/645294737.db2.gz FCFMGEHIKCIIAD-OAHLLOKOSA-N 1 0 305.466 2.450 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c(O)c1O ZINC000912029624 645910580 /nfs/dbraw/zinc/91/05/80/645910580.db2.gz ATNKVNHIBAVEQU-ZDUSSCGKSA-N 1 0 306.406 2.209 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)N1CCO ZINC000840134899 646073627 /nfs/dbraw/zinc/07/36/27/646073627.db2.gz QJQKERQUCLHQEW-GASCZTMLSA-N 1 0 318.461 2.158 20 10 DECDRO COc1cc(O)c(C[N@H+](CCN(C)C)CC(C)C)cc1OC ZINC000809729816 646269781 /nfs/dbraw/zinc/26/97/81/646269781.db2.gz ONGNEDKFAWVUQK-UHFFFAOYSA-N 1 0 310.438 2.429 20 10 DECDRO COCC[N@H+](Cc1cccnc1)Cc1cc(OC)ccc1O ZINC000809741279 646273856 /nfs/dbraw/zinc/27/38/56/646273856.db2.gz LVGYIUJXUTXQBS-UHFFFAOYSA-N 1 0 302.374 2.444 20 10 DECDRO CC(C)[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@H]1CCC(=O)N1 ZINC000840186390 646291012 /nfs/dbraw/zinc/29/10/12/646291012.db2.gz NCSNCQFFBYOWBT-MRXNPFEDSA-N 1 0 302.418 2.370 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000164527804 646449042 /nfs/dbraw/zinc/44/90/42/646449042.db2.gz CELWHRVOXYKBHQ-DZGCQCFKSA-N 1 0 309.431 2.416 20 10 DECDRO CSC1(CNC(=O)NCc2ccccc2O)CC[NH+](C)CC1 ZINC000811939959 646594461 /nfs/dbraw/zinc/59/44/61/646594461.db2.gz FNXSMGUSYOBQHQ-UHFFFAOYSA-N 1 0 323.462 2.019 20 10 DECDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227688785 646605083 /nfs/dbraw/zinc/60/50/83/646605083.db2.gz UZPCYVAFWAJWTA-SNVBAGLBSA-N 1 0 324.377 2.124 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812773258 646692774 /nfs/dbraw/zinc/69/27/74/646692774.db2.gz BLHPQENYAVJHRL-UHFFFAOYSA-N 1 0 301.390 2.303 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1N(C)C ZINC000815060881 646961349 /nfs/dbraw/zinc/96/13/49/646961349.db2.gz DRQFKAISPOWVTI-MSOLQXFVSA-N 1 0 304.434 2.441 20 10 DECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815160292 646982630 /nfs/dbraw/zinc/98/26/30/646982630.db2.gz WBPJOUPPCCEDER-RDTXWAMCSA-N 1 0 322.424 2.303 20 10 DECDRO C[C@H](O)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816503391 647143624 /nfs/dbraw/zinc/14/36/24/647143624.db2.gz VMDMLGZMRALWGC-AWEZNQCLSA-N 1 0 300.402 2.044 20 10 DECDRO OC[C@]1([C@@H]([NH2+]Cc2cc(Cl)ccc2O)C2CC2)CCCO1 ZINC000816667510 647166419 /nfs/dbraw/zinc/16/64/19/647166419.db2.gz OZTBBNJJYLALDS-HOTGVXAUSA-N 1 0 311.809 2.455 20 10 DECDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+](CC2CC2)CC1 ZINC000914248044 647237154 /nfs/dbraw/zinc/23/71/54/647237154.db2.gz MUJJQUMCLMDTDW-UHFFFAOYSA-N 1 0 321.396 2.205 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)NC)C2)cc1F ZINC000817415358 647290049 /nfs/dbraw/zinc/29/00/49/647290049.db2.gz RSEHDZKUHHGTOW-CQSZACIVSA-N 1 0 307.413 2.240 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000817417895 647290393 /nfs/dbraw/zinc/29/03/93/647290393.db2.gz WBPBMYGRTUIZRC-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)CO ZINC000817417506 647290597 /nfs/dbraw/zinc/29/05/97/647290597.db2.gz HVMJNRXQYQMIPT-SFHVURJKSA-N 1 0 306.450 2.241 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[C@@H]2COCCN2)cc1 ZINC000817890139 647372095 /nfs/dbraw/zinc/37/20/95/647372095.db2.gz XEHLZKCHVVMFKU-DOTOQJQBSA-N 1 0 305.466 2.389 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000817934992 647387400 /nfs/dbraw/zinc/38/74/00/647387400.db2.gz SCLVUURAFUEALC-BQFCYCMXSA-N 1 0 319.493 2.349 20 10 DECDRO Cc1cc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000817941162 647389178 /nfs/dbraw/zinc/38/91/78/647389178.db2.gz JFWFNXUSNXQBRS-XJKSGUPXSA-N 1 0 301.438 2.145 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000817981360 647399575 /nfs/dbraw/zinc/39/95/75/647399575.db2.gz RLIUWYHJUJQEDV-GXTWGEPZSA-N 1 0 306.406 2.362 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)cc1 ZINC000818221361 647435956 /nfs/dbraw/zinc/43/59/56/647435956.db2.gz RFJSZGRJONXQBK-AWEZNQCLSA-N 1 0 300.406 2.045 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000818361678 647458306 /nfs/dbraw/zinc/45/83/06/647458306.db2.gz MNEGLNLFRBZGAJ-SKDRFNHKSA-N 1 0 310.781 2.152 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@](C)(O)C(F)(F)F)ccc21 ZINC000818985423 647557423 /nfs/dbraw/zinc/55/74/23/647557423.db2.gz TXNBAOFAHLCXBO-AWEZNQCLSA-N 1 0 302.340 2.472 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1ccccc1 ZINC000818997074 647561109 /nfs/dbraw/zinc/56/11/09/647561109.db2.gz RDASJKXLZYKTGY-SFHVURJKSA-N 1 0 313.397 2.289 20 10 DECDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094570 647582027 /nfs/dbraw/zinc/58/20/27/647582027.db2.gz IEKVBDJZZVAVDR-SFHVURJKSA-N 1 0 304.434 2.186 20 10 DECDRO CCOCC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819374637 647646418 /nfs/dbraw/zinc/64/64/18/647646418.db2.gz GTCZCKBHLMGVCD-CRAIPNDOSA-N 1 0 308.466 2.369 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000819377320 647647133 /nfs/dbraw/zinc/64/71/33/647647133.db2.gz PKNGYTYUGOQBOG-HNAYVOBHSA-N 1 0 319.493 2.037 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000821807545 648112292 /nfs/dbraw/zinc/11/22/92/648112292.db2.gz VOUKUSSBSGSAOI-IUODEOHRSA-N 1 0 318.417 2.162 20 10 DECDRO C[C@@](CO)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237653634 648399733 /nfs/dbraw/zinc/39/97/33/648399733.db2.gz UWNPZAZQRMTZCX-KRWDZBQOSA-N 1 0 301.342 2.118 20 10 DECDRO CCC[C@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1CCOC ZINC000180254303 648479080 /nfs/dbraw/zinc/47/90/80/648479080.db2.gz CATSSTNSZCCQIS-INIZCTEOSA-N 1 0 310.413 2.464 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000824501229 648598286 /nfs/dbraw/zinc/59/82/86/648598286.db2.gz GIKJRYMVHQFOCK-AWEZNQCLSA-N 1 0 305.349 2.233 20 10 DECDRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccccc2O)c2ccccc21 ZINC000824514626 648600191 /nfs/dbraw/zinc/60/01/91/648600191.db2.gz AEWFYRPWADLKHL-CYBMUJFWSA-N 1 0 303.383 2.053 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000824654761 648630206 /nfs/dbraw/zinc/63/02/06/648630206.db2.gz QIQZHZVQTMXLPL-CGTJXYLNSA-N 1 0 304.434 2.114 20 10 DECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726797 648643524 /nfs/dbraw/zinc/64/35/24/648643524.db2.gz UQROZWAJPJNMRP-LBPRGKRZSA-N 1 0 322.149 2.357 20 10 DECDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824854881 648662685 /nfs/dbraw/zinc/66/26/85/648662685.db2.gz YVESUQLVDHKAKK-OLZOCXBDSA-N 1 0 323.389 2.231 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H](C)N1CCO ZINC000824926715 648673735 /nfs/dbraw/zinc/67/37/35/648673735.db2.gz QQXIDSFMMGFKMH-GASCZTMLSA-N 1 0 314.429 2.432 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124253 648707043 /nfs/dbraw/zinc/70/70/43/648707043.db2.gz KXSWGNWMEWRGQW-ZWNOBZJWSA-N 1 0 305.296 2.146 20 10 DECDRO COC(=O)c1oc(C[NH2+]Cc2cc(OC)ccc2O)cc1C ZINC000825283567 648735493 /nfs/dbraw/zinc/73/54/93/648735493.db2.gz NQIATOVFVRKKTG-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(C)C ZINC000825371182 648749776 /nfs/dbraw/zinc/74/97/76/648749776.db2.gz UOPWTPCTUAJSQD-LBPRGKRZSA-N 1 0 315.211 2.015 20 10 DECDRO CN(Cc1cc2n(n1)CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509664 648772178 /nfs/dbraw/zinc/77/21/78/648772178.db2.gz PSDYLWVCSHNVQB-UHFFFAOYSA-N 1 0 314.433 2.406 20 10 DECDRO Cc1cc(O)c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000825745291 648807937 /nfs/dbraw/zinc/80/79/37/648807937.db2.gz WZAOVMVGMNPIDH-STQMWFEESA-N 1 0 312.841 2.241 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1 ZINC000182318836 648873698 /nfs/dbraw/zinc/87/36/98/648873698.db2.gz UCIMRECJYJMZMT-NSHDSACASA-N 1 0 300.358 2.351 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)n[nH]c2C)c1 ZINC000182339764 648879618 /nfs/dbraw/zinc/87/96/18/648879618.db2.gz XIPAKUKEKLXWFA-SECBINFHSA-N 1 0 318.377 2.030 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)C(F)(F)F)c1 ZINC000182457333 648914214 /nfs/dbraw/zinc/91/42/14/648914214.db2.gz IYARAFAVFVMDEY-SECBINFHSA-N 1 0 320.311 2.120 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133570 648978873 /nfs/dbraw/zinc/97/88/73/648978873.db2.gz UWCYIWOFIHTFDL-ZWNOBZJWSA-N 1 0 324.808 2.155 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)cc1OC ZINC000828013766 649120943 /nfs/dbraw/zinc/12/09/43/649120943.db2.gz KAYZHWMHKUPAKD-UHFFFAOYSA-N 1 0 303.362 2.081 20 10 DECDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000828013846 649121167 /nfs/dbraw/zinc/12/11/67/649121167.db2.gz MCNBVLAJNPZWJV-UHFFFAOYSA-N 1 0 315.373 2.429 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1F ZINC000829038127 649263809 /nfs/dbraw/zinc/26/38/09/649263809.db2.gz ABJHKCPBNPZGMX-INIZCTEOSA-N 1 0 307.413 2.416 20 10 DECDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000184502127 649287986 /nfs/dbraw/zinc/28/79/86/649287986.db2.gz FANVEOJIDJAIBL-QGZVFWFLSA-N 1 0 316.401 2.330 20 10 DECDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185029695 649421605 /nfs/dbraw/zinc/42/16/05/649421605.db2.gz GTJGXHSEXDJMBK-CYBMUJFWSA-N 1 0 314.451 2.023 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000831012351 649528804 /nfs/dbraw/zinc/52/88/04/649528804.db2.gz MYFGIKMFZGLVFM-KRWDZBQOSA-N 1 0 304.438 2.084 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1O ZINC000831723149 649634175 /nfs/dbraw/zinc/63/41/75/649634175.db2.gz KLRNZVKTHFNMOA-ABAIWWIYSA-N 1 0 308.809 2.384 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccncc2Cl)cc1 ZINC000832267678 649690977 /nfs/dbraw/zinc/69/09/77/649690977.db2.gz ZBEKXTSZDIYYQC-OAHLLOKOSA-N 1 0 318.808 2.231 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000832274060 649691457 /nfs/dbraw/zinc/69/14/57/649691457.db2.gz RKXBPUKWLBMSAU-QZTJIDSGSA-N 1 0 309.413 2.209 20 10 DECDRO CC[NH2+]CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000832377669 649703486 /nfs/dbraw/zinc/70/34/86/649703486.db2.gz FPAJGEOFBCOVED-UHFFFAOYSA-N 1 0 300.406 2.219 20 10 DECDRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)c(C)n1-c1ccccn1 ZINC000834588722 649820025 /nfs/dbraw/zinc/82/00/25/649820025.db2.gz DYYUJVNYGKBRAZ-UHFFFAOYSA-N 1 0 312.417 2.443 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1F ZINC000844183405 651087846 /nfs/dbraw/zinc/08/78/46/651087846.db2.gz ZIBJEGMLSYCGTH-YUELXQCFSA-N 1 0 305.397 2.039 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000844322403 651112080 /nfs/dbraw/zinc/11/20/80/651112080.db2.gz MGJMMPSETAPTQY-WBMJQRKESA-N 1 0 303.406 2.386 20 10 DECDRO CCN(CC)C(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399856 651122890 /nfs/dbraw/zinc/12/28/90/651122890.db2.gz QJKLSDKMAQMERB-HNNXBMFYSA-N 1 0 321.465 2.320 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845047171 651197722 /nfs/dbraw/zinc/19/77/22/651197722.db2.gz MBANWIHGCQXKDJ-IINYFYTJSA-N 1 0 323.824 2.328 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)c1O ZINC000846145323 651310692 /nfs/dbraw/zinc/31/06/92/651310692.db2.gz NYXYQWTYSZCECQ-KGLIPLIRSA-N 1 0 309.406 2.495 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000846206249 651314996 /nfs/dbraw/zinc/31/49/96/651314996.db2.gz OMQLMRUBXSGASG-ZIAGYGMSSA-N 1 0 301.434 2.414 20 10 DECDRO C/C(=C/c1ccncc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394045 651455810 /nfs/dbraw/zinc/45/58/10/651455810.db2.gz MHLUTPMPBNCTFY-FFWXCITRSA-N 1 0 324.428 2.367 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2conc2C(C)(C)[NH3+])c1 ZINC000848425908 651458243 /nfs/dbraw/zinc/45/82/43/651458243.db2.gz FWCKPZXBBYJVTJ-VIFPVBQESA-N 1 0 319.361 2.074 20 10 DECDRO CC[N@H+](C)C[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000848674656 651487176 /nfs/dbraw/zinc/48/71/76/651487176.db2.gz HZDXUUYAEWDKHY-AWEZNQCLSA-N 1 0 305.447 2.492 20 10 DECDRO CCOCc1cc(CN[C@@H](C[NH3+])C(F)(F)F)ccc1OC ZINC000848715608 651496483 /nfs/dbraw/zinc/49/64/83/651496483.db2.gz GQIIJRPUSNGPBI-ZDUSSCGKSA-N 1 0 306.328 2.211 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000848910881 651556279 /nfs/dbraw/zinc/55/62/79/651556279.db2.gz AVAPSIMLPFSRDS-MRXNPFEDSA-N 1 0 302.418 2.399 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848918819 651561305 /nfs/dbraw/zinc/56/13/05/651561305.db2.gz NAQIHNCGBBXPDJ-MRXNPFEDSA-N 1 0 302.418 2.437 20 10 DECDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)cc1 ZINC000848993306 651573885 /nfs/dbraw/zinc/57/38/85/651573885.db2.gz XWOHOSUQYTYFCU-CQSZACIVSA-N 1 0 304.438 2.278 20 10 DECDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)cc1F ZINC000849094416 651600783 /nfs/dbraw/zinc/60/07/83/651600783.db2.gz HPIGJWVDLZIHDW-ZDUSSCGKSA-N 1 0 322.428 2.417 20 10 DECDRO CC(C)[N@H+](C)C[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325431 651649753 /nfs/dbraw/zinc/64/97/53/651649753.db2.gz ZNKFWTGMMAORLB-IBGZPJMESA-N 1 0 319.493 2.418 20 10 DECDRO COc1cc(C[NH2+][C@@H]2CCCCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000850026234 651807753 /nfs/dbraw/zinc/80/77/53/651807753.db2.gz RVKAEJCAQVYWJG-OAHLLOKOSA-N 1 0 320.433 2.457 20 10 DECDRO COc1cc(CNCc2nncn2C)c(O)c(C(C)(C)C)c1 ZINC000850031695 651808333 /nfs/dbraw/zinc/80/83/33/651808333.db2.gz VWOSBRYKKCOSAV-UHFFFAOYSA-N 1 0 304.394 2.117 20 10 DECDRO COc1cc(C[NH2+]CCn2cncn2)c(O)c(C(C)(C)C)c1 ZINC000850087336 651824077 /nfs/dbraw/zinc/82/40/77/651824077.db2.gz BMDQYDCJNWBWRU-UHFFFAOYSA-N 1 0 304.394 2.080 20 10 DECDRO COC[C@@H](CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850153118 651845518 /nfs/dbraw/zinc/84/55/18/651845518.db2.gz UCVMYFNSKFXAGA-CYBMUJFWSA-N 1 0 311.422 2.185 20 10 DECDRO COC[C@@H](O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850230983 651869815 /nfs/dbraw/zinc/86/98/15/651869815.db2.gz GYQRBMUUDVDASC-ZDUSSCGKSA-N 1 0 311.422 2.185 20 10 DECDRO COc1cc(C[NH2+]CC(=O)NCC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850238347 651872743 /nfs/dbraw/zinc/87/27/43/651872743.db2.gz YAYBMLQWCWPMIZ-UHFFFAOYSA-N 1 0 320.433 2.314 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)c1 ZINC000850369457 651913828 /nfs/dbraw/zinc/91/38/28/651913828.db2.gz KOAWVURQXOYDKW-MNOVXSKESA-N 1 0 317.838 2.409 20 10 DECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850382941 651916544 /nfs/dbraw/zinc/91/65/44/651916544.db2.gz 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ZINC000857342883 652110791 /nfs/dbraw/zinc/11/07/91/652110791.db2.gz YCWBRDYXLIFAPX-GFCCVEGCSA-N 1 0 322.380 2.089 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCC2(C)OCCO2)cc1F ZINC000858156265 652267660 /nfs/dbraw/zinc/26/76/60/652267660.db2.gz GKKSKBSBGUCKEN-UHFFFAOYSA-N 1 0 300.349 2.274 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC[C@]2(O)CCCOC2)cc1F ZINC000858184232 652273894 /nfs/dbraw/zinc/27/38/94/652273894.db2.gz NPZNQMTVBIYYIY-MRXNPFEDSA-N 1 0 314.376 2.052 20 10 DECDRO COC[C@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC000858187672 652274988 /nfs/dbraw/zinc/27/49/88/652274988.db2.gz XUNRLNTZNSDGQW-LBPRGKRZSA-N 1 0 302.365 2.172 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)c1 ZINC000851901531 652275302 /nfs/dbraw/zinc/27/53/02/652275302.db2.gz LLVMBDAGRZGPSW-GVAFMPQTSA-N 1 0 318.417 2.499 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000858276183 652294754 /nfs/dbraw/zinc/29/47/54/652294754.db2.gz RGHDCIKOSGZATO-CQSZACIVSA-N 1 0 305.422 2.374 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000858279396 652295973 /nfs/dbraw/zinc/29/59/73/652295973.db2.gz ZZFWKWQKQCRNIN-CQSZACIVSA-N 1 0 305.422 2.230 20 10 DECDRO Cn1c2cc(C[NH2+]Cc3ccc4c(c3)CCO4)ccc2oc1=O ZINC000858293171 652298059 /nfs/dbraw/zinc/29/80/59/652298059.db2.gz BPMDRDOZCIJJSL-UHFFFAOYSA-N 1 0 310.353 2.356 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)cc1 ZINC000858434660 652335582 /nfs/dbraw/zinc/33/55/82/652335582.db2.gz MJJVRGPYGOJHOY-BBRMVZONSA-N 1 0 302.422 2.260 20 10 DECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000852211650 652364648 /nfs/dbraw/zinc/36/46/48/652364648.db2.gz NKFGLLDMAQKIJN-YJBOKZPZSA-N 1 0 322.449 2.115 20 10 DECDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000852790765 652457435 /nfs/dbraw/zinc/45/74/35/652457435.db2.gz BDRNZDLAJGDFFF-XYPHTWIQSA-N 1 0 319.449 2.074 20 10 DECDRO [NH3+]C1(C(=O)NCCCSc2nccs2)CC2(CCC2)C1 ZINC000852840588 652467125 /nfs/dbraw/zinc/46/71/25/652467125.db2.gz QOHOXRDHKCJREB-UHFFFAOYSA-N 1 0 311.476 2.403 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000852920120 652479997 /nfs/dbraw/zinc/47/99/97/652479997.db2.gz LHPMIOMQKPNZKL-GFCCVEGCSA-N 1 0 315.417 2.440 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603252 685566947 /nfs/dbraw/zinc/56/69/47/685566947.db2.gz VGZLKCDSLLWAHG-FZMZJTMJSA-N 1 0 304.390 2.205 20 10 DECDRO CCCNC(=O)C1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000159647924 684318699 /nfs/dbraw/zinc/31/86/99/684318699.db2.gz KAHXTASKLZMHOG-UHFFFAOYSA-N 1 0 320.433 2.447 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(O)cc1C ZINC000252734230 685194594 /nfs/dbraw/zinc/19/45/94/685194594.db2.gz HUTJZISEQGFKAG-WBVHZDCISA-N 1 0 307.390 2.089 20 10 DECDRO C[C@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C[NH2+]1 ZINC000861568028 686146242 /nfs/dbraw/zinc/14/62/42/686146242.db2.gz NILQMDOGKSJCDA-XJKSGUPXSA-N 1 0 316.449 2.009 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861583235 686150467 /nfs/dbraw/zinc/15/04/67/686150467.db2.gz PUBHXUQWBUQJHA-DZGCQCFKSA-N 1 0 304.438 2.001 20 10 DECDRO CCOC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000862274075 686271373 /nfs/dbraw/zinc/27/13/73/686271373.db2.gz DNHWEBJQEJAIJZ-UHFFFAOYSA-N 1 0 312.369 2.483 20 10 DECDRO C[N@@H+]1C[C@H]2CCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000862372765 686284823 /nfs/dbraw/zinc/28/48/23/686284823.db2.gz AFEJPMYHKNKNGR-ZWNOBZJWSA-N 1 0 311.223 2.291 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1F ZINC000862413545 686296233 /nfs/dbraw/zinc/29/62/33/686296233.db2.gz RAZMKODLFZOBBU-ABAIWWIYSA-N 1 0 323.387 2.131 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1(C)COC1 ZINC000862478163 686307691 /nfs/dbraw/zinc/30/76/91/686307691.db2.gz ZUORZPRCWXSATM-UHFFFAOYSA-N 1 0 308.397 2.131 20 10 DECDRO C[NH+](C)CC(C)(C)CNC(=S)N1Cc2cccc(O)c2C1 ZINC000865258938 686981046 /nfs/dbraw/zinc/98/10/46/686981046.db2.gz SWJVFJDUEXBUOM-UHFFFAOYSA-N 1 0 307.463 2.170 20 10 DECDRO C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccccc1O ZINC000865270497 687164284 /nfs/dbraw/zinc/16/42/84/687164284.db2.gz SHQKNKPGZNOXQD-LBPRGKRZSA-N 1 0 307.463 2.259 20 10 DECDRO C[NH+]1CCC(NC(=O)CSc2ncc(Cl)s2)CC1 ZINC000865372681 687190425 /nfs/dbraw/zinc/19/04/25/687190425.db2.gz VCXZBJHPIUEIQS-UHFFFAOYSA-N 1 0 305.856 2.099 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCC2(O)CCC2)c1 ZINC000930217561 694114008 /nfs/dbraw/zinc/11/40/08/694114008.db2.gz XJCYQBWZDUACBQ-STQMWFEESA-N 1 0 309.406 2.108 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000866216655 687495575 /nfs/dbraw/zinc/49/55/75/687495575.db2.gz AETLRFSCUSFICM-CQSZACIVSA-N 1 0 323.393 2.388 20 10 DECDRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Cl)ccc1O ZINC000866573220 687614336 /nfs/dbraw/zinc/61/43/36/687614336.db2.gz UXXATIORVAABEK-VIFPVBQESA-N 1 0 320.842 2.011 20 10 DECDRO C[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1O ZINC000868097631 687908690 /nfs/dbraw/zinc/90/86/90/687908690.db2.gz NDPGFFFVZWJJBJ-AWEZNQCLSA-N 1 0 305.422 2.484 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868363173 687991181 /nfs/dbraw/zinc/99/11/81/687991181.db2.gz KCICWJUCIUBDQQ-KGLIPLIRSA-N 1 0 305.422 2.483 20 10 DECDRO O=C(CCC12CC(C1)C[NH2+]2)NCc1c(O)ccc2c1CCCC2 ZINC000870893941 688680186 /nfs/dbraw/zinc/68/01/86/688680186.db2.gz BGTWXFSWLNHINH-UHFFFAOYSA-N 1 0 314.429 2.419 20 10 DECDRO CCC1([NH+](C)C)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000872671962 689062023 /nfs/dbraw/zinc/06/20/23/689062023.db2.gz ZKTLZKVYEYFPLT-MRXNPFEDSA-N 1 0 320.433 2.124 20 10 DECDRO CCOCCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873006763 689139561 /nfs/dbraw/zinc/13/95/61/689139561.db2.gz QPNIMNDNBZMBKK-UHFFFAOYSA-N 1 0 303.406 2.456 20 10 DECDRO COc1ccc(CN[C@H](C)CC[NH+](C)C)cc1Cn1cccn1 ZINC000873030050 689144157 /nfs/dbraw/zinc/14/41/57/689144157.db2.gz ZVROCCOBASZFOQ-OAHLLOKOSA-N 1 0 316.449 2.370 20 10 DECDRO COCC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873033990 689145361 /nfs/dbraw/zinc/14/53/61/689145361.db2.gz RNCWZKBQMYGQKZ-CQSZACIVSA-N 1 0 303.406 2.455 20 10 DECDRO COc1ccc(N2CCN(C[C@@H]([NH3+])CC(C)C)CC2)c(OC)c1 ZINC000873220850 689186891 /nfs/dbraw/zinc/18/68/91/689186891.db2.gz YYLPRGPTWUKRHW-HNNXBMFYSA-N 1 0 321.465 2.199 20 10 DECDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874328859 689389296 /nfs/dbraw/zinc/38/92/96/689389296.db2.gz HBXMJYAGIKKVTH-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C)CC(F)(F)C2)cc1 ZINC000876505692 689841887 /nfs/dbraw/zinc/84/18/87/689841887.db2.gz AOSVGMKCSOTIEY-CYBMUJFWSA-N 1 0 311.376 2.304 20 10 DECDRO C[C@@H]1CN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccc(F)cc2O1 ZINC000876681850 689900249 /nfs/dbraw/zinc/90/02/49/689900249.db2.gz AWJKYAUELAWSAA-PWNWJAOYSA-N 1 0 304.365 2.495 20 10 DECDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876725498 689916908 /nfs/dbraw/zinc/91/69/08/689916908.db2.gz LEJCDLUVJQUUAV-INIZCTEOSA-N 1 0 304.434 2.116 20 10 DECDRO CN(C)c1ccc(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1F ZINC000876739821 689923283 /nfs/dbraw/zinc/92/32/83/689923283.db2.gz IXZHTYCZAYHSHD-WOLRVDTOSA-N 1 0 305.397 2.064 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC000876763863 689929632 /nfs/dbraw/zinc/92/96/32/689929632.db2.gz MFLLYRWTGZJXAR-IRXDYDNUSA-N 1 0 305.418 2.453 20 10 DECDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000876767245 689930983 /nfs/dbraw/zinc/93/09/83/689930983.db2.gz FARQFZRVQOXPHI-AMFYOEQGSA-N 1 0 301.434 2.089 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccc(C)cc1O)C1CCOCC1 ZINC000876774336 689933628 /nfs/dbraw/zinc/93/36/28/689933628.db2.gz RZMMPVNMLYBIEE-UHFFFAOYSA-N 1 0 307.390 2.245 20 10 DECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000876883767 689963757 /nfs/dbraw/zinc/96/37/57/689963757.db2.gz AWTGMIGFHMTIQR-RNVIBTMRSA-N 1 0 314.429 2.443 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000876937059 689976662 /nfs/dbraw/zinc/97/66/62/689976662.db2.gz QGYGNNDQUXIDPO-UHFFFAOYSA-N 1 0 320.414 2.362 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCc3cscn3)cc2)CC1 ZINC000877061557 690011166 /nfs/dbraw/zinc/01/11/66/690011166.db2.gz LEFJUOAWRDZNPZ-UHFFFAOYSA-N 1 0 317.458 2.437 20 10 DECDRO CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(N)cc1 ZINC000877077578 690014059 /nfs/dbraw/zinc/01/40/59/690014059.db2.gz NMGJZTWVNINDPN-UHFFFAOYSA-N 1 0 317.433 2.267 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c(O)c1 ZINC000877310686 690073119 /nfs/dbraw/zinc/07/31/19/690073119.db2.gz PUYLNWQSBGWNHG-MRXNPFEDSA-N 1 0 311.385 2.381 20 10 DECDRO COc1ccc(C[NH2+]C2CCC(O)CC2)cc1Cn1cccn1 ZINC000877424394 690108282 /nfs/dbraw/zinc/10/82/82/690108282.db2.gz WMPCQGXKHLSZBO-UHFFFAOYSA-N 1 0 315.417 2.333 20 10 DECDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877501291 690132819 /nfs/dbraw/zinc/13/28/19/690132819.db2.gz NYSDTDFZDOBHSP-GOSISDBHSA-N 1 0 321.417 2.492 20 10 DECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562015 690152966 /nfs/dbraw/zinc/15/29/66/690152966.db2.gz VGQIXOONOIWPGR-APWZRJJASA-N 1 0 318.461 2.241 20 10 DECDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877587585 690159975 /nfs/dbraw/zinc/15/99/75/690159975.db2.gz NECFAOHVWOCCEG-HNNXBMFYSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000877619858 690169703 /nfs/dbraw/zinc/16/97/03/690169703.db2.gz ARRYIIPKNKXJNI-INIZCTEOSA-N 1 0 304.434 2.387 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C2CSC2)c1O ZINC000877635240 690174832 /nfs/dbraw/zinc/17/48/32/690174832.db2.gz KBMFUWCPONYROG-UHFFFAOYSA-N 1 0 304.209 2.368 20 10 DECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877690617 690192408 /nfs/dbraw/zinc/19/24/08/690192408.db2.gz CUBKLILLQSOCNV-IBGZPJMESA-N 1 0 318.461 2.385 20 10 DECDRO CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037132305 690576964 /nfs/dbraw/zinc/57/69/64/690576964.db2.gz BBLLKBVYQCMNNS-TZMCWYRMSA-N 1 0 317.393 2.357 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000879571551 690676300 /nfs/dbraw/zinc/67/63/00/690676300.db2.gz BQXPXDKDCDNYGR-MLGOLLRUSA-N 1 0 306.381 2.260 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccccc1O ZINC000879648559 690699143 /nfs/dbraw/zinc/69/91/43/690699143.db2.gz TYNNEUQRWQMNIF-GFCCVEGCSA-N 1 0 319.405 2.201 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879652247 690699394 /nfs/dbraw/zinc/69/93/94/690699394.db2.gz XYKDVKMYWJPRJR-JQWIXIFHSA-N 1 0 316.405 2.420 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(=O)NC(C)(C)C ZINC000879651330 690699425 /nfs/dbraw/zinc/69/94/25/690699425.db2.gz RJSXGOQLYIHWBY-QWRGUYRKSA-N 1 0 307.394 2.056 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccccc1O ZINC000879653711 690699830 /nfs/dbraw/zinc/69/98/30/690699830.db2.gz UDFDTCBSGLFUQE-AWEZNQCLSA-N 1 0 314.385 2.238 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)ccc1N(C)C ZINC000880524028 690917645 /nfs/dbraw/zinc/91/76/45/690917645.db2.gz OIRQFFCHCOGQOF-DOTOQJQBSA-N 1 0 301.434 2.162 20 10 DECDRO CC[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854282 691174556 /nfs/dbraw/zinc/17/45/56/691174556.db2.gz ZQYUQFCVTIUZCC-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO CCC(CC)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883041703 691418355 /nfs/dbraw/zinc/41/83/55/691418355.db2.gz XITJIVQJEFXMDT-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000883132930 691436986 /nfs/dbraw/zinc/43/69/86/691436986.db2.gz JTBCQRNUOOEEDP-ZDUSSCGKSA-N 1 0 300.349 2.263 20 10 DECDRO CC[NH+](CC)CC[C@H](CO)NCc1c(O)cccc1Cl ZINC000883161593 691444722 /nfs/dbraw/zinc/44/47/22/691444722.db2.gz VYXAUMXDURKSJD-GFCCVEGCSA-N 1 0 300.830 2.228 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000883308253 691479161 /nfs/dbraw/zinc/47/91/61/691479161.db2.gz LJOUZHIYNNJTNE-AAEUAGOBSA-N 1 0 313.419 2.019 20 10 DECDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315511 691708104 /nfs/dbraw/zinc/70/81/04/691708104.db2.gz QZJRBVGQRPVMCV-OAHLLOKOSA-N 1 0 302.418 2.133 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]CCN2CCNC2=O)cc1 ZINC000886324468 692056154 /nfs/dbraw/zinc/05/61/54/692056154.db2.gz SBFNOLZNIXLEQP-UHFFFAOYSA-N 1 0 318.465 2.428 20 10 DECDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886504237 692095863 /nfs/dbraw/zinc/09/58/63/692095863.db2.gz XQMFAXGVQITEDZ-UONOGXRCSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886810809 692196445 /nfs/dbraw/zinc/19/64/45/692196445.db2.gz DVAQWFFSKRTRRT-CQSZACIVSA-N 1 0 302.340 2.499 20 10 DECDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924648421 693164963 /nfs/dbraw/zinc/16/49/63/693164963.db2.gz MYYCSJWUAHCJIW-ZBFHGGJFSA-N 1 0 301.434 2.434 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925322759 693256140 /nfs/dbraw/zinc/25/61/40/693256140.db2.gz BNYDRIGXNFVEQR-HIFRSBDPSA-N 1 0 305.422 2.406 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@](C)(O)C2)c2cc(F)ccc2n1C ZINC001333701213 1150081159 /nfs/dbraw/zinc/08/11/59/1150081159.db2.gz IEAXKMHQSTYZEO-KRWDZBQOSA-N 1 0 320.364 2.061 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)cc1 ZINC001335414466 1150411273 /nfs/dbraw/zinc/41/12/73/1150411273.db2.gz XCTHZMOCMIZXOE-WBVHZDCISA-N 1 0 322.449 2.040 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001348901038 1151207662 /nfs/dbraw/zinc/20/76/62/1151207662.db2.gz SXFUIQUCLXMATO-IIAWOOMASA-N 1 0 302.418 2.437 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001353593209 1151840784 /nfs/dbraw/zinc/84/07/84/1151840784.db2.gz LHENAQLFYBZPFW-LJQANCHMSA-N 1 0 310.397 2.330 20 10 DECDRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000176500074 782476130 /nfs/dbraw/zinc/47/61/30/782476130.db2.gz PCWOIXADNPPKJF-UHFFFAOYSA-N 1 0 315.373 2.481 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(C)C[NH2+]C1 ZINC000399300885 790352618 /nfs/dbraw/zinc/35/26/18/790352618.db2.gz XFYUOWXFCHZGFC-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000724914518 777519013 /nfs/dbraw/zinc/51/90/13/777519013.db2.gz PBMVZGFQZZUXSX-CYBMUJFWSA-N 1 0 322.405 2.500 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(Cl)c1 ZINC001140921557 778015614 /nfs/dbraw/zinc/01/56/14/778015614.db2.gz HXFWUMWSHJKXBI-UHFFFAOYSA-N 1 0 310.829 2.039 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841857591 780681865 /nfs/dbraw/zinc/68/18/65/780681865.db2.gz PLEIMGFOQHWCOH-NSHDSACASA-N 1 0 316.496 2.442 20 10 DECDRO Cc1ccccc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499509 790933759 /nfs/dbraw/zinc/93/37/59/790933759.db2.gz HHIPOVSIRNUWGR-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144504052 790936050 /nfs/dbraw/zinc/93/60/50/790936050.db2.gz JWGMHDLKFRIDBX-CYBMUJFWSA-N 1 0 321.295 2.083 20 10 DECDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515989 790943332 /nfs/dbraw/zinc/94/33/32/790943332.db2.gz MALSGPDFJGMSRJ-CYBMUJFWSA-N 1 0 316.357 2.160 20 10 DECDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)C2)nc1 ZINC001144516193 790944019 /nfs/dbraw/zinc/94/40/19/790944019.db2.gz SQEYEYUZHGKLRX-ZDUSSCGKSA-N 1 0 316.357 2.160 20 10 DECDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169039893 785013886 /nfs/dbraw/zinc/01/38/86/785013886.db2.gz VKFBVWFIOPFHQA-SMDDNHRTSA-N 1 0 306.362 2.291 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CC)Cc2ccccc2O)CO1 ZINC001169411377 785183539 /nfs/dbraw/zinc/18/35/39/785183539.db2.gz SFQVMOHTXIMRPM-HOCLYGCPSA-N 1 0 307.390 2.325 20 10 DECDRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001169485853 785199665 /nfs/dbraw/zinc/19/96/65/785199665.db2.gz CIYCYTAUJHZMTG-ZDUSSCGKSA-N 1 0 320.433 2.493 20 10 DECDRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001169857624 785391285 /nfs/dbraw/zinc/39/12/85/785391285.db2.gz OFNQJDQVRRNPMT-UHFFFAOYSA-N 1 0 309.431 2.067 20 10 DECDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691489136 786086153 /nfs/dbraw/zinc/08/61/53/786086153.db2.gz PWOULOQTLWBJPQ-QGZVFWFLSA-N 1 0 318.236 2.155 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001131555131 787649393 /nfs/dbraw/zinc/64/93/93/787649393.db2.gz PSHZDCMVRLLWEI-CRAIPNDOSA-N 1 0 302.418 2.400 20 10 DECDRO CCC[C@@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001132298781 788007814 /nfs/dbraw/zinc/00/78/14/788007814.db2.gz OEFSUGOIAODRID-MRXNPFEDSA-N 1 0 308.422 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[C@@H](C)O2)cc1C ZINC001133325081 788361925 /nfs/dbraw/zinc/36/19/25/788361925.db2.gz ZBKXIQXSZGDRHI-GDBMZVCRSA-N 1 0 320.433 2.167 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(F)c3C2)cc1O ZINC001170947081 789691399 /nfs/dbraw/zinc/69/13/99/789691399.db2.gz SEWKLUORKKSPOH-FZKQIMNGSA-N 1 0 317.360 2.417 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CSc3ccccc3C2)cc1O ZINC001172184589 793345375 /nfs/dbraw/zinc/34/53/75/793345375.db2.gz NLYWWZRIUPGSNM-CJNGLKHVSA-N 1 0 317.410 2.438 20 10 DECDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)CO2 ZINC001173158028 793611245 /nfs/dbraw/zinc/61/12/45/793611245.db2.gz ZTNJUKQGHSPXOX-LBPRGKRZSA-N 1 0 301.342 2.200 20 10 DECDRO Oc1cc(O)c(CC[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1O ZINC001173471989 793732731 /nfs/dbraw/zinc/73/27/31/793732731.db2.gz TVVJMQTVIBOODV-UHFFFAOYSA-N 1 0 321.323 2.381 20 10 DECDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001173625887 793784099 /nfs/dbraw/zinc/78/40/99/793784099.db2.gz FLOWUXPLHYVLLQ-AAEUAGOBSA-N 1 0 323.389 2.057 20 10 DECDRO Oc1ccc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1O ZINC001173662927 793799510 /nfs/dbraw/zinc/79/95/10/793799510.db2.gz PYUKGNSCBLEAMI-UHFFFAOYSA-N 1 0 318.339 2.257 20 10 DECDRO c1ncn(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC001177586918 794704424 /nfs/dbraw/zinc/70/44/24/794704424.db2.gz OCEBOGXQXNKIEC-UHFFFAOYSA-N 1 0 306.369 2.492 20 10 DECDRO CCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001178076691 794831443 /nfs/dbraw/zinc/83/14/43/794831443.db2.gz CBLPOZMTIDDTEI-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO COC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC001117945245 795128728 /nfs/dbraw/zinc/12/87/28/795128728.db2.gz QNQITWASIVTYEK-UHFFFAOYSA-N 1 0 305.422 2.335 20 10 DECDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204280708 795369637 /nfs/dbraw/zinc/36/96/37/795369637.db2.gz NHVRNGUMGRBTKG-UHFFFAOYSA-N 1 0 306.406 2.178 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c1O ZINC001206436597 795387297 /nfs/dbraw/zinc/38/72/97/795387297.db2.gz MYAOVUNNYQMXEO-NEPJUHHUSA-N 1 0 317.202 2.334 20 10 DECDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206445696 795451728 /nfs/dbraw/zinc/45/17/28/795451728.db2.gz PYLOGYGFOXTJJG-NXEZZACHSA-N 1 0 308.275 2.162 20 10 DECDRO CN(C)c1cc[nH+]cc1NC(=O)CCc1ccc(O)c(O)c1 ZINC001182153948 795614397 /nfs/dbraw/zinc/61/43/97/795614397.db2.gz RALDVZLQDHDIPF-UHFFFAOYSA-N 1 0 301.346 2.130 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2scnc2C)cc1C ZINC001124049245 796029039 /nfs/dbraw/zinc/02/90/39/796029039.db2.gz KHCGPTYYJIZIDO-UHFFFAOYSA-N 1 0 319.430 2.288 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC001138153107 796172524 /nfs/dbraw/zinc/17/25/24/796172524.db2.gz XXRPTKFAIOYZJR-DZGCQCFKSA-N 1 0 320.433 2.265 20 10 DECDRO Cc1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c2ccccc2n1C ZINC001138252866 796188283 /nfs/dbraw/zinc/18/82/83/796188283.db2.gz XCBGQKVCPPESDE-MRXNPFEDSA-N 1 0 313.445 2.393 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC(n4cnnc4)CC3)ccc21 ZINC001138357010 796203758 /nfs/dbraw/zinc/20/37/58/796203758.db2.gz YEIPLKMALZGHCO-UHFFFAOYSA-N 1 0 311.433 2.498 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@]4(CCNC4=O)C3)ccc21 ZINC001138355406 796204021 /nfs/dbraw/zinc/20/40/21/796204021.db2.gz QBIMJRVOWJALOM-LJQANCHMSA-N 1 0 313.445 2.171 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356952 796204296 /nfs/dbraw/zinc/20/42/96/796204296.db2.gz VWNFIFXVEQTSSI-KRWDZBQOSA-N 1 0 301.434 2.122 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001139129259 796329109 /nfs/dbraw/zinc/32/91/09/796329109.db2.gz SPNNXSFDOAFAMP-ZDUSSCGKSA-N 1 0 317.385 2.401 20 10 DECDRO COc1cc(CN2CCOC[C@@H]2C2CC2)cc(C[NH+](C)C)c1O ZINC001139259250 796350908 /nfs/dbraw/zinc/35/09/08/796350908.db2.gz OQQYFFJBQIWUSS-MRXNPFEDSA-N 1 0 320.433 2.073 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCOC4)cc2)CC1 ZINC001139412783 796372708 /nfs/dbraw/zinc/37/27/08/796372708.db2.gz NRAFDDRVSJHVHA-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)ccc1N(C)C ZINC001139671337 796407728 /nfs/dbraw/zinc/40/77/28/796407728.db2.gz JDAYMGMNNCWISO-IAGOWNOFSA-N 1 0 301.434 2.256 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)ccc1N(C)C ZINC001139671478 796408249 /nfs/dbraw/zinc/40/82/49/796408249.db2.gz WPQCHTQOWJIZQJ-KBAYOESNSA-N 1 0 304.434 2.033 20 10 DECDRO Cc1cc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)ccc1N(C)C ZINC001139674080 796408809 /nfs/dbraw/zinc/40/88/09/796408809.db2.gz MWTSABRHPDGQJU-INIZCTEOSA-N 1 0 301.434 2.258 20 10 DECDRO Cc1ccc(C)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1O ZINC001140185147 796487174 /nfs/dbraw/zinc/48/71/74/796487174.db2.gz QAQYRZRVPJAFRZ-INIZCTEOSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@]1(C)O ZINC001140282902 796501848 /nfs/dbraw/zinc/50/18/48/796501848.db2.gz JZIJRDGFBHKOLR-HNAYVOBHSA-N 1 0 318.461 2.241 20 10 DECDRO CC(C)[N@H+](CCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285772 796501888 /nfs/dbraw/zinc/50/18/88/796501888.db2.gz QLXPIOGYPVQGSX-UHFFFAOYSA-N 1 0 306.450 2.241 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140342555 796510206 /nfs/dbraw/zinc/51/02/06/796510206.db2.gz OZTKMAWNZXERSZ-NSHDSACASA-N 1 0 305.765 2.489 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660210 796552589 /nfs/dbraw/zinc/55/25/89/796552589.db2.gz JOGRVFNTHVFADQ-KBXCAEBGSA-N 1 0 322.424 2.255 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001140664727 796553200 /nfs/dbraw/zinc/55/32/00/796553200.db2.gz QHNXTORZULUNRA-HOTGVXAUSA-N 1 0 320.408 2.131 20 10 DECDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)no1 ZINC001140742742 796566052 /nfs/dbraw/zinc/56/60/52/796566052.db2.gz XJZDMHMNHQUHKF-CYBMUJFWSA-N 1 0 303.362 2.477 20 10 DECDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)no1 ZINC001140742743 796566094 /nfs/dbraw/zinc/56/60/94/796566094.db2.gz XJZDMHMNHQUHKF-ZDUSSCGKSA-N 1 0 303.362 2.477 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001140745862 796566677 /nfs/dbraw/zinc/56/66/77/796566677.db2.gz OGYHFHBLUPNRDX-UHFFFAOYSA-N 1 0 318.417 2.241 20 10 DECDRO Cc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c1O ZINC001140751060 796567480 /nfs/dbraw/zinc/56/74/80/796567480.db2.gz HZGIAUCXQZDFKL-LSDHHAIUSA-N 1 0 308.397 2.414 20 10 DECDRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001140748504 796567742 /nfs/dbraw/zinc/56/77/42/796567742.db2.gz MAZHMRXECOFMJT-GOSISDBHSA-N 1 0 318.417 2.241 20 10 DECDRO CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140925995 796598179 /nfs/dbraw/zinc/59/81/79/796598179.db2.gz WYFDIGYPFHNBSY-HNNXBMFYSA-N 1 0 309.841 2.459 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(Cl)c1 ZINC001140926681 796598236 /nfs/dbraw/zinc/59/82/36/796598236.db2.gz PUKKVVJEVAVBCV-UHFFFAOYSA-N 1 0 322.840 2.053 20 10 DECDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950155 796606384 /nfs/dbraw/zinc/60/63/84/796606384.db2.gz PBFQLXXMFTWJQJ-AWEZNQCLSA-N 1 0 301.390 2.176 20 10 DECDRO CCOC(=O)C1(F)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203674800 796627545 /nfs/dbraw/zinc/62/75/45/796627545.db2.gz BYEZYCPWWJGOOP-UHFFFAOYSA-N 1 0 311.353 2.268 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143978 796638589 /nfs/dbraw/zinc/63/85/89/796638589.db2.gz QPYPLXSBBLNLSL-MRXNPFEDSA-N 1 0 303.450 2.431 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143750 796638956 /nfs/dbraw/zinc/63/89/56/796638956.db2.gz IVVWXLBFRFCYTD-GOSISDBHSA-N 1 0 318.417 2.290 20 10 DECDRO COC1CC[NH+](C2CCN(Cc3cc(O)ccc3O)CC2)CC1 ZINC001141162653 796643239 /nfs/dbraw/zinc/64/32/39/796643239.db2.gz YPSUFPZTCJIDCG-UHFFFAOYSA-N 1 0 320.433 2.173 20 10 DECDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)ncn1 ZINC001141163126 796644227 /nfs/dbraw/zinc/64/42/27/796644227.db2.gz QFHRADJPVFPPLO-OAHLLOKOSA-N 1 0 315.373 2.240 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC001143112509 796803424 /nfs/dbraw/zinc/80/34/24/796803424.db2.gz ULNYMWJXGZBXHP-CYBMUJFWSA-N 1 0 304.390 2.326 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCCO2)cc1C ZINC001156613516 798042954 /nfs/dbraw/zinc/04/29/54/798042954.db2.gz OENZYFYPNNGOMD-QGZVFWFLSA-N 1 0 320.433 2.169 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@H]2CCO[C@H]2c2nc(C)no2)cc1 ZINC001196657001 798088536 /nfs/dbraw/zinc/08/85/36/798088536.db2.gz FZBVTUFHVNGQHC-JKSUJKDBSA-N 1 0 316.405 2.454 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)cc1 ZINC001203934664 798481526 /nfs/dbraw/zinc/48/15/26/798481526.db2.gz YYAMJUQATNQFET-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO Cc1cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)ccc1N(C)C ZINC000932770484 799928061 /nfs/dbraw/zinc/92/80/61/799928061.db2.gz MIULJLMBGPDERY-INIZCTEOSA-N 1 0 317.433 2.381 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1 ZINC000932770034 799928135 /nfs/dbraw/zinc/92/81/35/799928135.db2.gz CBGCMZBQQKWHSB-INIZCTEOSA-N 1 0 303.406 2.073 20 10 DECDRO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2cnn(C)c21 ZINC001203552534 800079431 /nfs/dbraw/zinc/07/94/31/800079431.db2.gz NHTBQKSTOBYFHK-OAHLLOKOSA-N 1 0 301.390 2.262 20 10 DECDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1cccnc1 ZINC001203560851 800080558 /nfs/dbraw/zinc/08/05/58/800080558.db2.gz 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CCOC(=O)c1c(CN(C)CC[NH2+]C)c2ccccc2n1C ZINC001204727613 800249819 /nfs/dbraw/zinc/24/98/19/800249819.db2.gz FXDVKGORNSAHGS-UHFFFAOYSA-N 1 0 303.406 2.006 20 10 DECDRO COC(=O)c1c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c2ccccc2n1C ZINC001205881344 800437179 /nfs/dbraw/zinc/43/71/79/800437179.db2.gz YTWZKSXYUDWQDH-DOMZBBRYSA-N 1 0 315.417 2.134 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001206322019 800509270 /nfs/dbraw/zinc/50/92/70/800509270.db2.gz ZUCLLZJQZDGPIT-QGZVFWFLSA-N 1 0 307.390 2.484 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622542 800567138 /nfs/dbraw/zinc/56/71/38/800567138.db2.gz FIBLQMCGSHCWGP-CYBMUJFWSA-N 1 0 316.401 2.368 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC001231594067 801692273 /nfs/dbraw/zinc/69/22/73/801692273.db2.gz SLAFSHJXDCWDRE-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(O)cc1O ZINC001231637581 801701658 /nfs/dbraw/zinc/70/16/58/801701658.db2.gz NIHMKYTVTSYQGO-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCOC2=O)CC1 ZINC001231854295 801738270 /nfs/dbraw/zinc/73/82/70/801738270.db2.gz BXTVJICQCFDDHR-UHFFFAOYSA-N 1 0 318.417 2.290 20 10 DECDRO Clc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)ccc1N1CCOCC1 ZINC001232199408 801814161 /nfs/dbraw/zinc/81/41/61/801814161.db2.gz GUJQPGAUCIMWJQ-WMLDXEAASA-N 1 0 322.836 2.397 20 10 DECDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195792 801814794 /nfs/dbraw/zinc/81/47/94/801814794.db2.gz YZUYIIAPJGZHPB-AWEZNQCLSA-N 1 0 310.825 2.133 20 10 DECDRO CN(C)c1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001232840103 801969019 /nfs/dbraw/zinc/96/90/19/801969019.db2.gz MZHFBWZHIPIIGW-UHFFFAOYSA-N 1 0 307.413 2.076 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287244 802064252 /nfs/dbraw/zinc/06/42/52/802064252.db2.gz DKHJXRNOVCYJOY-HNNXBMFYSA-N 1 0 321.417 2.454 20 10 DECDRO COC(=O)[C@@]1(F)CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416086 802112396 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DECDRO OC[C@]1(F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233728707 802191352 /nfs/dbraw/zinc/19/13/52/802191352.db2.gz YYSQMSMSFSORFU-LBPRGKRZSA-N 1 0 309.259 2.197 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](F)[C@H](O)C3)c2c1 ZINC001234525857 802403480 /nfs/dbraw/zinc/40/34/80/802403480.db2.gz LSWVQBLWLAMMQK-DOTOQJQBSA-N 1 0 305.349 2.459 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)c2c1 ZINC001234525859 802403509 /nfs/dbraw/zinc/40/35/09/802403509.db2.gz LSWVQBLWLAMMQK-RDJZCZTQSA-N 1 0 305.349 2.459 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)c(OC)c1 ZINC001222247617 802661253 /nfs/dbraw/zinc/66/12/53/802661253.db2.gz GOUYSSIOKAIYKD-QGZVFWFLSA-N 1 0 306.406 2.127 20 10 DECDRO Cc1cc(C[NH+]2CCC3(CCNC3=O)CC2)ccc1N(C)C ZINC001331173936 1149391469 /nfs/dbraw/zinc/39/14/69/1149391469.db2.gz VFXTVTDOXBDGHT-UHFFFAOYSA-N 1 0 301.434 2.163 20 10 DECDRO C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(C(=O)[O-])ccc1O ZINC001593285622 994637792 /nfs/dbraw/zinc/63/77/92/994637792.db2.gz HGTBAMOUHQBBTP-UXEPBGEESA-N 1 0 304.390 2.273 20 10 DECDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(N)cc2)CCOCC1 ZINC001575153055 1069380292 /nfs/dbraw/zinc/38/02/92/1069380292.db2.gz MVCSPYIWRCNPKE-UHFFFAOYSA-N 1 0 320.433 2.497 20 10 DECDRO Nc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC001524009878 1069792221 /nfs/dbraw/zinc/79/22/21/1069792221.db2.gz WQBZEOSWVQQDOJ-KRWDZBQOSA-N 1 0 324.428 2.192 20 10 DECDRO CCO/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001603555404 1069986407 /nfs/dbraw/zinc/98/64/07/1069986407.db2.gz PWDBKKZUDZOOAY-JNSOCZORSA-N 1 0 305.422 2.022 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2ccco2)cc1F ZINC001461021207 1058572335 /nfs/dbraw/zinc/57/23/35/1058572335.db2.gz GSCYEZVWVPAIKL-UHFFFAOYSA-N 1 0 305.353 2.004 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001466791541 1059538993 /nfs/dbraw/zinc/53/89/93/1059538993.db2.gz UZGQWLPBYWFXJF-VHDGCEQUSA-N 1 0 320.433 2.265 20 10 DECDRO CN(C)c1cc(F)c(CNc2ccn(CC[NH+](C)C)n2)cc1F ZINC001329139350 1148868306 /nfs/dbraw/zinc/86/83/06/1148868306.db2.gz CCRLBYZBCPGIHH-UHFFFAOYSA-N 1 0 323.391 2.401 20 10 DECDRO C[C@@H](CC[NH+](C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001618594378 1078156599 /nfs/dbraw/zinc/15/65/99/1078156599.db2.gz WUAPAKIRFRVQDN-ZDUSSCGKSA-N 1 0 305.422 2.066 20 10 DECDRO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC001628685999 1078302028 /nfs/dbraw/zinc/30/20/28/1078302028.db2.gz TXEXLYCKNCSELN-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@H](NC(=O)N1CC2(C1)CCC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001576199150 1066518758 /nfs/dbraw/zinc/51/87/58/1066518758.db2.gz UXBGQGPIOLXPJM-AWEZNQCLSA-N 1 0 316.449 2.209 20 10 DECDRO CCCC[C@H]([NH3+])C(=O)NCc1cccc(Br)c1O ZINC001577410400 1066834851 /nfs/dbraw/zinc/83/48/51/1066834851.db2.gz DCDZDZHVNOUETH-NSHDSACASA-N 1 0 315.211 2.288 20 10 DECDRO C[NH2+]CCc1ccccc1C(=O)N1CCCn2ncc(Cl)c21 ZINC001578715714 1067154983 /nfs/dbraw/zinc/15/49/83/1067154983.db2.gz DEAVJYIEMYHWLK-UHFFFAOYSA-N 1 0 318.808 2.349 20 10 DECDRO [NH3+]C[C@@H](NCc1ccc(Br)cc1O)C(F)(F)F ZINC001580229880 1067531681 /nfs/dbraw/zinc/53/16/81/1067531681.db2.gz VGWMCCCIBNGUGN-SECBINFHSA-N 1 0 313.117 2.134 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001514533675 1068720013 /nfs/dbraw/zinc/72/00/13/1068720013.db2.gz ZHMUYRWGBFKCPU-HNAYVOBHSA-N 1 0 324.428 2.443 20 10 DECDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272385549 1078844941 /nfs/dbraw/zinc/84/49/41/1078844941.db2.gz BYGIDYNHOGTFDN-FZKQIMNGSA-N 1 0 318.417 2.463 20 10 DECDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(O)c1O ZINC001542839177 1072466862 /nfs/dbraw/zinc/46/68/62/1072466862.db2.gz OTKKWNQVAJZQNE-UHFFFAOYSA-N 1 0 306.406 2.434 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)c1O ZINC001560752848 1075145512 /nfs/dbraw/zinc/14/55/12/1075145512.db2.gz OOAMBUMQRJAJNU-OAHLLOKOSA-N 1 0 317.385 2.108 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(N)=O)nc2)cc1 ZINC001620855148 1076484456 /nfs/dbraw/zinc/48/44/56/1076484456.db2.gz MEMUNIZZOZLUFV-UHFFFAOYSA-N 1 0 312.417 2.317 20 10 DECDRO O=S1(=O)CCC(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001650905954 1079779928 /nfs/dbraw/zinc/77/99/28/1079779928.db2.gz XAHKEPUHEMYFIE-UHFFFAOYSA-N 1 0 322.474 2.201 20 10 DECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001652110631 1079852759 /nfs/dbraw/zinc/85/27/59/1079852759.db2.gz GTHQYYCEPFNWSX-OAHLLOKOSA-N 1 0 315.797 2.228 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ccccc1O ZINC001655349116 1079994603 /nfs/dbraw/zinc/99/46/03/1079994603.db2.gz DGEOLIBLVAWPJT-GFCCVEGCSA-N 1 0 313.357 2.391 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(CCOC)C2)cc1 ZINC001655647228 1080010282 /nfs/dbraw/zinc/01/02/82/1080010282.db2.gz INDKBNCUUTZGFU-QGZVFWFLSA-N 1 0 305.466 2.343 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)ccc1OC ZINC001656814232 1080126397 /nfs/dbraw/zinc/12/63/97/1080126397.db2.gz MLKBSDWCNITVFY-KBXCAEBGSA-N 1 0 322.449 2.040 20 10 DECDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC001657314638 1080169835 /nfs/dbraw/zinc/16/98/35/1080169835.db2.gz YBZPDSBRBVFTCK-DAXOMENPSA-N 1 0 300.402 2.111 20 10 DECDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](O)[C@@H]2C)c1O ZINC001658116943 1080196298 /nfs/dbraw/zinc/19/62/98/1080196298.db2.gz KPLVGEXOUOPAAL-CABZTGNLSA-N 1 0 300.196 2.418 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)c1 ZINC001658378646 1080207236 /nfs/dbraw/zinc/20/72/36/1080207236.db2.gz FDXGTFDZAHQVRG-LSDHHAIUSA-N 1 0 306.450 2.403 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(O)c1 ZINC001658912020 1080220962 /nfs/dbraw/zinc/22/09/62/1080220962.db2.gz YUGQFMVATFZSEE-GDBMZVCRSA-N 1 0 309.431 2.416 20 10 DECDRO CC[NH+]1CCC(CN(C)c2ccc(OCC(=O)OC)cc2)CC1 ZINC001659425495 1080239040 /nfs/dbraw/zinc/23/90/40/1080239040.db2.gz PTMIWAZKHNECGS-UHFFFAOYSA-N 1 0 320.433 2.407 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(O)c1 ZINC001659427755 1080240169 /nfs/dbraw/zinc/24/01/69/1080240169.db2.gz SPPWRYBVEYGYJC-HNNXBMFYSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cccc(C[NH+]2CCC3(CC[C@@H](C(N)=O)C3)CC2)c1O ZINC001277452022 1083977514 /nfs/dbraw/zinc/97/75/14/1083977514.db2.gz NOBCABJFXXBSEJ-CYBMUJFWSA-N 1 0 318.417 2.268 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c1O ZINC001277451344 1083978449 /nfs/dbraw/zinc/97/84/49/1083978449.db2.gz CRBYZELXJJJQDJ-FZKQIMNGSA-N 1 0 318.417 2.137 20 10 DECDRO OC[C@@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC001203547304 1083999904 /nfs/dbraw/zinc/99/99/04/1083999904.db2.gz NSBKEVNULMOHLE-SFHVURJKSA-N 1 0 312.413 2.071 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277567394 1084039896 /nfs/dbraw/zinc/03/98/96/1084039896.db2.gz GJQFFJXOEDJJFU-AWEZNQCLSA-N 1 0 302.418 2.437 20 10 DECDRO CC[NH+]1CCN(c2ccc(OC3CN(C(C)C)C3)cc2)CC1 ZINC001234658253 1084190334 /nfs/dbraw/zinc/19/03/34/1084190334.db2.gz YRULTXSCEVTOKB-UHFFFAOYSA-N 1 0 303.450 2.300 20 10 DECDRO NC(=O)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234995561 1084263688 /nfs/dbraw/zinc/26/36/88/1084263688.db2.gz NFWKEUKFUNRHMM-UHFFFAOYSA-N 1 0 311.385 2.256 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001235674956 1084495867 /nfs/dbraw/zinc/49/58/67/1084495867.db2.gz JSXXCRFUMJKKLK-SJLPKXTDSA-N 1 0 307.434 2.255 20 10 DECDRO [NH3+][C@]12CC[C@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001235995125 1084585568 /nfs/dbraw/zinc/58/55/68/1084585568.db2.gz VGHIOWAPFZPHMH-GWCFXTLKSA-N 1 0 302.296 2.214 20 10 DECDRO Cn1ccc(CC[NH2+]Cc2c(O)cccc2Br)n1 ZINC000706809908 1086652436 /nfs/dbraw/zinc/65/24/36/1086652436.db2.gz PVTHBTGTRFMLOY-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO C[C@@H](CNCc1c(O)cccc1Br)C[NH+](C)C ZINC000706863861 1086653777 /nfs/dbraw/zinc/65/37/77/1086653777.db2.gz UJEVQKVXQCDEFX-JTQLQIEISA-N 1 0 301.228 2.442 20 10 DECDRO Oc1cc(O)c(CN2CC3(CC[N@@H+]3C3CCCC3)C2)c(O)c1 ZINC001275113066 1091561707 /nfs/dbraw/zinc/56/17/07/1091561707.db2.gz ZUNLVSKUZGCWJC-UHFFFAOYSA-N 1 0 304.390 2.006 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H](C)[NH2+]1 ZINC001236578936 1138378005 /nfs/dbraw/zinc/37/80/05/1138378005.db2.gz KHDAWAKRLIMFRH-ZIAGYGMSSA-N 1 0 323.868 2.359 20 10 DECDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236786517 1138427455 /nfs/dbraw/zinc/42/74/55/1138427455.db2.gz CCQOTYOZNIITLW-INIZCTEOSA-N 1 0 320.433 2.072 20 10 DECDRO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001236789238 1138427788 /nfs/dbraw/zinc/42/77/88/1138427788.db2.gz SXJWHXFRQMVOPQ-MRXNPFEDSA-N 1 0 302.418 2.445 20 10 DECDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236815376 1138438058 /nfs/dbraw/zinc/43/80/58/1138438058.db2.gz KIGKUQFINAHAKS-BFQNTYOBSA-N 1 0 305.374 2.235 20 10 DECDRO COc1cc(C)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001236815452 1138438546 /nfs/dbraw/zinc/43/85/46/1138438546.db2.gz LUBBQDQSEVWILE-CYBMUJFWSA-N 1 0 307.390 2.437 20 10 DECDRO CC[C@H]([NH3+])CN(C)Cc1cc(O)c(Br)cc1O ZINC001236884341 1138447322 /nfs/dbraw/zinc/44/73/22/1138447322.db2.gz PBXVFAZIWVRNBM-VIFPVBQESA-N 1 0 303.200 2.029 20 10 DECDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921384 1138456889 /nfs/dbraw/zinc/45/68/89/1138456889.db2.gz FFMSMNYAQWGFIU-INIZCTEOSA-N 1 0 310.825 2.133 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932105 1138459390 /nfs/dbraw/zinc/45/93/90/1138459390.db2.gz NTDILNPYTLULSA-HZPDHXFCSA-N 1 0 313.367 2.069 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236936025 1138461969 /nfs/dbraw/zinc/46/19/69/1138461969.db2.gz NTDILNPYTLULSA-IYBDPMFKSA-N 1 0 313.367 2.069 20 10 DECDRO CCOc1ccc(CN2CC[NH+](CCC(C)(C)O)CC2)c(O)c1 ZINC001237047097 1138487406 /nfs/dbraw/zinc/48/74/06/1138487406.db2.gz RFIGLXMAWYJLOP-UHFFFAOYSA-N 1 0 322.449 2.070 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(COC2)C1 ZINC001237051676 1138491543 /nfs/dbraw/zinc/49/15/43/1138491543.db2.gz QCMKNBCHTSJCEB-UHFFFAOYSA-N 1 0 303.280 2.166 20 10 DECDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3c(C)cccc3O)C2)nc1 ZINC001237490769 1138655586 /nfs/dbraw/zinc/65/55/86/1138655586.db2.gz AYFSXHLRLMPBCT-CYBMUJFWSA-N 1 0 315.373 2.153 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001238064025 1138819516 /nfs/dbraw/zinc/81/95/16/1138819516.db2.gz NSIGCYZDQJZPNQ-PWSUYJOCSA-N 1 0 307.287 2.442 20 10 DECDRO O=S(=O)(NC1C[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238182399 1138832839 /nfs/dbraw/zinc/83/28/39/1138832839.db2.gz OLVBHDYBWZLCLF-ISLYRVAYSA-N 1 0 316.386 2.352 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CCOC3)cc2F)CC1 ZINC001318471431 1140343185 /nfs/dbraw/zinc/34/31/85/1140343185.db2.gz OMMWCDJWAZLGHV-SFHVURJKSA-N 1 0 321.440 2.094 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319738313 1140700818 /nfs/dbraw/zinc/70/08/18/1140700818.db2.gz XREKPXXWYFWNLE-SJORKVTESA-N 1 0 301.434 2.291 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCCO3)cc2F)CC1 ZINC001320082434 1140819910 /nfs/dbraw/zinc/81/99/10/1140819910.db2.gz ZNIUSCMJQWDFPV-GOSISDBHSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C(N)=O)C1 ZINC001320486233 1140870820 /nfs/dbraw/zinc/87/08/20/1140870820.db2.gz KNSPYMWIWHQUDY-WMLDXEAASA-N 1 0 301.434 2.373 20 10 DECDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001322264387 1141497291 /nfs/dbraw/zinc/49/72/91/1141497291.db2.gz SUOFEVUTMIVKFF-JSGCOSHPSA-N 1 0 309.337 2.165 20 10 DECDRO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(C)n1-c1ccccn1 ZINC001322269651 1141497857 /nfs/dbraw/zinc/49/78/57/1141497857.db2.gz KJTUGACZPZFYIS-UHFFFAOYSA-N 1 0 310.401 2.091 20 10 DECDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249177865 1141857140 /nfs/dbraw/zinc/85/71/40/1141857140.db2.gz KRDAFABOSGTVJT-OAHLLOKOSA-N 1 0 307.390 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001249178451 1141857475 /nfs/dbraw/zinc/85/74/75/1141857475.db2.gz RQTXQGNXTUOXTG-GOEBONIOSA-N 1 0 313.344 2.380 20 10 DECDRO CCOC(=O)CN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324486618 1142086667 /nfs/dbraw/zinc/08/66/67/1142086667.db2.gz QUIGSKZVCUQLOL-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001337001545 1142653408 /nfs/dbraw/zinc/65/34/08/1142653408.db2.gz VFBACWKIYJRTIB-GOEBONIOSA-N 1 0 301.434 2.373 20 10 DECDRO Nc1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001337019341 1142660729 /nfs/dbraw/zinc/66/07/29/1142660729.db2.gz SMNAFACUTMFCRD-NVXWUHKLSA-N 1 0 316.449 2.333 20 10 DECDRO Oc1ccccc1C[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253291913 1142861534 /nfs/dbraw/zinc/86/15/34/1142861534.db2.gz OHAIEOWYELEGPQ-QGZVFWFLSA-N 1 0 301.386 2.450 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC23CCC3)cc1 ZINC001340020031 1143236803 /nfs/dbraw/zinc/23/68/03/1143236803.db2.gz OIMDXASZRPHOKY-MRXNPFEDSA-N 1 0 301.434 2.149 20 10 DECDRO CCOc1ccc(N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC001256600128 1143856733 /nfs/dbraw/zinc/85/67/33/1143856733.db2.gz WSKYRZJAZMJVQG-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(C3CCCC3)C2)cc1O ZINC001256893932 1143873159 /nfs/dbraw/zinc/87/31/59/1143873159.db2.gz BPHUSEZVUSEQBF-KDOFPFPSSA-N 1 0 320.433 2.128 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NCCCC[NH3+])cc2)CC1 ZINC001261375003 1144239983 /nfs/dbraw/zinc/23/99/83/1144239983.db2.gz BJBFWTBOGHNEIS-UHFFFAOYSA-N 1 0 318.465 2.461 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C2)cc1 ZINC001262569918 1144320033 /nfs/dbraw/zinc/32/00/33/1144320033.db2.gz JJIUQGBMRXLVHL-WCQYABFASA-N 1 0 318.339 2.177 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(F)F)cc1C ZINC001282085994 1144966931 /nfs/dbraw/zinc/96/69/31/1144966931.db2.gz YEJGSDURSNTECB-QWRGUYRKSA-N 1 0 300.349 2.252 20 10 DECDRO CC(C)(C[NH3+])C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001353531896 1151836549 /nfs/dbraw/zinc/83/65/49/1151836549.db2.gz ODRSNRBHZFJEOY-UHFFFAOYSA-N 1 0 304.438 2.175 20 10 DECDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710510 539637164 /nfs/dbraw/zinc/63/71/64/539637164.db2.gz OTUNTBVOPMYMQP-FZCLSBEQSA-N 1 0 313.445 2.276 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](O)COC)c1cc(Br)ccc1O ZINC000071266126 190949820 /nfs/dbraw/zinc/94/98/20/190949820.db2.gz WJNQKPKCPAGMKR-PWSUYJOCSA-N 1 0 318.211 2.203 20 10 DECDRO COc1cccc(CNC(=O)NCC2([NH+](C)C)CCCC2)c1O ZINC000073444674 354960974 /nfs/dbraw/zinc/96/09/74/354960974.db2.gz KXJLKGJONVRZLH-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO CC[C@H]([NH3+])CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000579606773 357003342 /nfs/dbraw/zinc/00/33/42/357003342.db2.gz MPKKSPGLPKBAIU-HNNXBMFYSA-N 1 0 317.433 2.372 20 10 DECDRO Cn1cc(CN2C[C@H]([NH3+])Cc3ccccc32)c(-c2cccnc2)n1 ZINC000667065102 540390978 /nfs/dbraw/zinc/39/09/78/540390978.db2.gz WUSKPZAAPAIZST-QGZVFWFLSA-N 1 0 319.412 2.372 20 10 DECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000274499647 535439708 /nfs/dbraw/zinc/43/97/08/535439708.db2.gz HVIVNUINJXHNOD-UWVGGRQHSA-N 1 0 311.353 2.411 20 10 DECDRO Cc1cc(O)c(C[N@H+](CCO)CCOCC(F)(F)F)cc1C ZINC000093319975 193231478 /nfs/dbraw/zinc/23/14/78/193231478.db2.gz MHSNAARZPJJVQE-UHFFFAOYSA-N 1 0 321.339 2.382 20 10 DECDRO CC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000105329102 194097654 /nfs/dbraw/zinc/09/76/54/194097654.db2.gz ZZXZXBMJKJAMSL-UHFFFAOYSA-N 1 0 300.406 2.171 20 10 DECDRO OC1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000294888083 224288038 /nfs/dbraw/zinc/28/80/38/224288038.db2.gz QQEHXFBOVMMNAG-UHFFFAOYSA-N 1 0 317.477 2.223 20 10 DECDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c1O ZINC000377654540 533513518 /nfs/dbraw/zinc/51/35/18/533513518.db2.gz JMSJJOCSDOUNMQ-UHFFFAOYSA-N 1 0 310.357 2.476 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000272254021 130013801 /nfs/dbraw/zinc/01/38/01/130013801.db2.gz MCTSYRQHGBMFJX-ZFWWWQNUSA-N 1 0 312.417 2.298 20 10 DECDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452786 130123919 /nfs/dbraw/zinc/12/39/19/130123919.db2.gz GHTFBEIRNKDRCS-SJKOYZFVSA-N 1 0 315.417 2.389 20 10 DECDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000274814580 130263969 /nfs/dbraw/zinc/26/39/69/130263969.db2.gz WCCKFMCIXYXEQK-ZDUSSCGKSA-N 1 0 310.413 2.474 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1C ZINC000289377926 131380612 /nfs/dbraw/zinc/38/06/12/131380612.db2.gz CALSCTQBRTZYGY-OBJOEFQTSA-N 1 0 307.390 2.468 20 10 DECDRO C[C@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000299517333 132109686 /nfs/dbraw/zinc/10/96/86/132109686.db2.gz PKOJICTWEXZNDD-ZIAGYGMSSA-N 1 0 305.422 2.312 20 10 DECDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000113332606 401776601 /nfs/dbraw/zinc/77/66/01/401776601.db2.gz MRYZLYAJMJCAPL-UHFFFAOYSA-N 1 0 307.413 2.429 20 10 DECDRO COC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117340597 401875216 /nfs/dbraw/zinc/87/52/16/401875216.db2.gz MIDNRVBSQRACJT-OAHLLOKOSA-N 1 0 307.390 2.326 20 10 DECDRO CCN(CCC[NH2+][C@@H](C)c1cc(C)ccc1O)S(C)(=O)=O ZINC000038035533 401921216 /nfs/dbraw/zinc/92/12/16/401921216.db2.gz VLABITOSWHARGJ-ZDUSSCGKSA-N 1 0 314.451 2.023 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC000093614179 402017318 /nfs/dbraw/zinc/01/73/18/402017318.db2.gz XNVYBQKWQBSTBW-IAGOWNOFSA-N 1 0 305.418 2.453 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CC)CC2)c1 ZINC000092187183 402002710 /nfs/dbraw/zinc/00/27/10/402002710.db2.gz ZSYVYXDIUADLMH-UHFFFAOYSA-N 1 0 306.406 2.235 20 10 DECDRO CCCOc1ccc(CN2CC[NH+](C[C@H](O)CC)CC2)c(O)c1 ZINC000123578475 402135625 /nfs/dbraw/zinc/13/56/25/402135625.db2.gz YCMPXIJXWZHLJK-MRXNPFEDSA-N 1 0 322.449 2.070 20 10 DECDRO CC[N@H+](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000102068270 402162460 /nfs/dbraw/zinc/16/24/60/402162460.db2.gz HKEDURZBKMRSAL-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069142594 402214060 /nfs/dbraw/zinc/21/40/60/402214060.db2.gz QYBQUCGCPVHVKK-OAHLLOKOSA-N 1 0 310.463 2.200 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1F ZINC000125638938 402243473 /nfs/dbraw/zinc/24/34/73/402243473.db2.gz TWADSSDHFVARIA-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000184691536 402292204 /nfs/dbraw/zinc/29/22/04/402292204.db2.gz ZPVFUPPXWNAVJS-ZDUSSCGKSA-N 1 0 315.797 2.028 20 10 DECDRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CN1CC[NH+](C)CC1 ZINC000185343857 402345182 /nfs/dbraw/zinc/34/51/82/402345182.db2.gz YJCKBEWUQORPNW-ZIAGYGMSSA-N 1 0 309.429 2.065 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375951 402348007 /nfs/dbraw/zinc/34/80/07/402348007.db2.gz WZSJOYQJPVCBEL-MGPQQGTHSA-N 1 0 308.422 2.161 20 10 DECDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186202243 402409715 /nfs/dbraw/zinc/40/97/15/402409715.db2.gz NTQVXCVLFHXJMG-KOLCDFICSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245689041 402479886 /nfs/dbraw/zinc/47/98/86/402479886.db2.gz LIVHKYIIQBXOFA-JHJVBQTASA-N 1 0 306.406 2.018 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000179490470 402591952 /nfs/dbraw/zinc/59/19/52/402591952.db2.gz XFKOLMNHXCXUQY-OAHLLOKOSA-N 1 0 304.390 2.034 20 10 DECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179692003 402598297 /nfs/dbraw/zinc/59/82/97/402598297.db2.gz BJEPEDMFHZSBSX-CYBMUJFWSA-N 1 0 308.378 2.111 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCc2ccncc2)cc1OC ZINC000183754549 402794805 /nfs/dbraw/zinc/79/48/05/402794805.db2.gz WJKHQQNXFYPVAM-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000271329104 402858472 /nfs/dbraw/zinc/85/84/72/402858472.db2.gz MUNVIHGQFOUMFR-ZDUSSCGKSA-N 1 0 302.378 2.207 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278183059 402861847 /nfs/dbraw/zinc/86/18/47/402861847.db2.gz BPFBOIPOEQPBFY-ZIAGYGMSSA-N 1 0 300.406 2.445 20 10 DECDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000278438909 402866351 /nfs/dbraw/zinc/86/63/51/402866351.db2.gz KEJRUIJKKRXWLU-OAHLLOKOSA-N 1 0 303.450 2.268 20 10 DECDRO OCC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000278541186 402868142 /nfs/dbraw/zinc/86/81/42/402868142.db2.gz XLHJAIWYMJXAKK-GOSISDBHSA-N 1 0 304.434 2.308 20 10 DECDRO COC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279679095 402960553 /nfs/dbraw/zinc/96/05/53/402960553.db2.gz ITUYSGGNDJRKKU-INIZCTEOSA-N 1 0 317.385 2.068 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280201132 402974677 /nfs/dbraw/zinc/97/46/77/402974677.db2.gz IAELINYYPBBJDR-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@]34CCC[C@@H]3C[NH2+]C4)ccc21 ZINC000280805933 403039161 /nfs/dbraw/zinc/03/91/61/403039161.db2.gz LKVVDXKBIKRXJO-APWZRJJASA-N 1 0 313.445 2.075 20 10 DECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(F)ccc1O ZINC000280939932 403052354 /nfs/dbraw/zinc/05/23/54/403052354.db2.gz ISPMBBQPJVUVPR-JTQLQIEISA-N 1 0 301.383 2.149 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268868211 403120268 /nfs/dbraw/zinc/12/02/68/403120268.db2.gz GTZBTJBPIGASMG-IAGOWNOFSA-N 1 0 302.422 2.260 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCCF ZINC000282904270 403163320 /nfs/dbraw/zinc/16/33/20/403163320.db2.gz WXEHREDCBFZCEQ-NWDGAFQWSA-N 1 0 308.397 2.396 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282989297 403164623 /nfs/dbraw/zinc/16/46/23/403164623.db2.gz JWESEYCFBQSZIL-DYVFJYSZSA-N 1 0 321.417 2.058 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000276494591 403180845 /nfs/dbraw/zinc/18/08/45/403180845.db2.gz BGAMBHGAWWKIMM-MNOVXSKESA-N 1 0 310.369 2.087 20 10 DECDRO C[NH+](C)CCCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276610281 403191211 /nfs/dbraw/zinc/19/12/11/403191211.db2.gz SLXVDMNAFZQWJZ-UHFFFAOYSA-N 1 0 324.396 2.431 20 10 DECDRO CC[N@H+](C)C[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271071708 403261020 /nfs/dbraw/zinc/26/10/20/403261020.db2.gz VXTYNEGBXZTUHM-GFCCVEGCSA-N 1 0 323.393 2.390 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1F ZINC000271146300 403269042 /nfs/dbraw/zinc/26/90/42/403269042.db2.gz IDWDFZIRQLNZBB-CQSZACIVSA-N 1 0 308.397 2.477 20 10 DECDRO CC[NH+](CC)CCN(CCOC)Cc1cccc(OC)c1O ZINC000271177995 403274045 /nfs/dbraw/zinc/27/40/45/403274045.db2.gz UXOOZWBGVKUDPO-UHFFFAOYSA-N 1 0 310.438 2.191 20 10 DECDRO Oc1cc2c(cc1CN1C[C@@]3(CCCO3)[C@H]1C1CC1)OCO2 ZINC000294214156 403674586 /nfs/dbraw/zinc/67/45/86/403674586.db2.gz YKKVJJKJILCEOQ-SJORKVTESA-N 1 0 303.358 2.264 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294305044 403698798 /nfs/dbraw/zinc/69/87/98/403698798.db2.gz XEJDZJIKDVIBSF-CRAIPNDOSA-N 1 0 304.434 2.441 20 10 DECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000289655927 403991657 /nfs/dbraw/zinc/99/16/57/403991657.db2.gz MZTKCENHBJVDSI-ZBFHGGJFSA-N 1 0 321.440 2.187 20 10 DECDRO CCCN(CC[NH+]1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000289721809 403994966 /nfs/dbraw/zinc/99/49/66/403994966.db2.gz PHIQCIRNBBOQDT-UHFFFAOYSA-N 1 0 306.406 2.429 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289911100 404008165 /nfs/dbraw/zinc/00/81/65/404008165.db2.gz JTDMPWWWWZFETJ-HOTGVXAUSA-N 1 0 301.434 2.073 20 10 DECDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000290047226 404017845 /nfs/dbraw/zinc/01/78/45/404017845.db2.gz DXKQKLDCLLMEHS-XJKSGUPXSA-N 1 0 307.413 2.142 20 10 DECDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290249286 404097407 /nfs/dbraw/zinc/09/74/07/404097407.db2.gz UCCKGNJVZSSLPD-WMZOPIPTSA-N 1 0 315.461 2.319 20 10 DECDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296147091 404115496 /nfs/dbraw/zinc/11/54/96/404115496.db2.gz WNOZRADLAYGWAJ-HNNXBMFYSA-N 1 0 317.410 2.443 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000290521670 404203852 /nfs/dbraw/zinc/20/38/52/404203852.db2.gz QAQFTNODWJVSCE-OAHLLOKOSA-N 1 0 318.417 2.235 20 10 DECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000296433180 404245232 /nfs/dbraw/zinc/24/52/32/404245232.db2.gz LZFRADXQRYXSOR-OCCSQVGLSA-N 1 0 314.451 2.069 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1F ZINC000364582915 404456557 /nfs/dbraw/zinc/45/65/57/404456557.db2.gz ULIGZAVBSFZBFG-KSSFIOAISA-N 1 0 319.424 2.288 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378418184 227213751 /nfs/dbraw/zinc/21/37/51/227213751.db2.gz COKIULPRUVMTGB-WMLDXEAASA-N 1 0 307.390 2.219 20 10 DECDRO C[C@@H](NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001357351627 1152292167 /nfs/dbraw/zinc/29/21/67/1152292167.db2.gz STDIJSUOAYTNKF-IIAWOOMASA-N 1 0 318.465 2.358 20 10 DECDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001357791409 1152339059 /nfs/dbraw/zinc/33/90/59/1152339059.db2.gz LOLLOEKOTJAIJK-INIZCTEOSA-N 1 0 316.449 2.188 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)C2CCN(C)CC2)cc1 ZINC000835024447 649867456 /nfs/dbraw/zinc/86/74/56/649867456.db2.gz APJPCMKCUPJOEH-PLNGDYQASA-N 1 0 317.477 2.154 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c1 ZINC000375840895 534200182 /nfs/dbraw/zinc/20/01/82/534200182.db2.gz MMITYEOANUOZIU-LBPRGKRZSA-N 1 0 303.362 2.472 20 10 DECDRO CN(C)c1ccc(/C=C/CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000835037260 649869920 /nfs/dbraw/zinc/86/99/20/649869920.db2.gz IZNOSXCIMSYNCQ-BWTKPXILSA-N 1 0 315.461 2.219 20 10 DECDRO CCC1(CO)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180383172 519844605 /nfs/dbraw/zinc/84/46/05/519844605.db2.gz ITVLPDKUXGIXKL-UHFFFAOYSA-N 1 0 309.406 2.394 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)c1O ZINC000188114975 521341033 /nfs/dbraw/zinc/34/10/33/521341033.db2.gz KLYLBMWLQVHCPI-TZMCWYRMSA-N 1 0 307.390 2.422 20 10 DECDRO CCOc1cccc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000185217029 521361990 /nfs/dbraw/zinc/36/19/90/521361990.db2.gz RJRDSBCBSNKXMU-UHFFFAOYSA-N 1 0 315.435 2.095 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181163233 522043267 /nfs/dbraw/zinc/04/32/67/522043267.db2.gz DFBRTRNKGAPJLG-BIYBCCJYSA-N 1 0 304.390 2.100 20 10 DECDRO C[N@H+](CCOCC(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000188638715 522887605 /nfs/dbraw/zinc/88/76/05/522887605.db2.gz XWQLHZMFNZEQPI-UHFFFAOYSA-N 1 0 314.376 2.237 20 10 DECDRO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1CO ZINC000191175867 524290066 /nfs/dbraw/zinc/29/00/66/524290066.db2.gz PVXQGEMJZXNWBL-JOYOIKCWSA-N 1 0 300.196 2.357 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180330157 524739910 /nfs/dbraw/zinc/73/99/10/524739910.db2.gz OZBGCCUHXYDWRL-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1 ZINC000191684128 524755804 /nfs/dbraw/zinc/75/58/04/524755804.db2.gz CWYCFOKPXJRLIO-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC(N3CCCNC3=O)CC2)c1 ZINC000093669476 525339728 /nfs/dbraw/zinc/33/97/28/525339728.db2.gz CHDGNRSTDZAVGP-UHFFFAOYSA-N 1 0 303.406 2.080 20 10 DECDRO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000184983140 525401369 /nfs/dbraw/zinc/40/13/69/525401369.db2.gz SWNOIDPQQJXQLO-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO Oc1cc2c(cc1CN1CC[C@H](C[NH+]3CCCC3)C1)OCO2 ZINC000131375529 526336919 /nfs/dbraw/zinc/33/69/19/526336919.db2.gz WQLPPMYYMKLGHY-CYBMUJFWSA-N 1 0 304.390 2.039 20 10 DECDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)OCCO ZINC000288508717 535146821 /nfs/dbraw/zinc/14/68/21/535146821.db2.gz SSAMDHKJIOCHFW-UHFFFAOYSA-N 1 0 318.211 2.032 20 10 DECDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](C)N1CCOCC1 ZINC000835038376 649870060 /nfs/dbraw/zinc/87/00/60/649870060.db2.gz QICBKHAQRVBQOO-CSLAMCDYSA-N 1 0 317.477 2.465 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCC(=O)NC2CC2)cc1 ZINC000835036498 649870068 /nfs/dbraw/zinc/87/00/68/649870068.db2.gz QKNWBFAEBBCCHD-HYXAFXHYSA-N 1 0 301.434 2.414 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCCOCC2)cc1 ZINC000835054143 649872171 /nfs/dbraw/zinc/87/21/71/649872171.db2.gz RIYKORWGFZTZLA-HWKANZROSA-N 1 0 303.450 2.078 20 10 DECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000835089221 649877635 /nfs/dbraw/zinc/87/76/35/649877635.db2.gz XSWPJPZEFJBZII-ZFWWWQNUSA-N 1 0 308.397 2.319 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737365728 598837089 /nfs/dbraw/zinc/83/70/89/598837089.db2.gz SHMXSFLGZTWNPQ-UHFFFAOYSA-N 1 0 313.336 2.310 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821616033 607065959 /nfs/dbraw/zinc/06/59/59/607065959.db2.gz ZVQNJQUBRNRTQW-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1O ZINC000825954311 608598565 /nfs/dbraw/zinc/59/85/65/608598565.db2.gz ZEWUGWRDIIKDKP-UHFFFAOYSA-N 1 0 301.375 2.266 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000169091676 625345782 /nfs/dbraw/zinc/34/57/82/625345782.db2.gz DYXREEIKHZXJQN-HOGDKLEQSA-N 1 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CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000891534576 624471378 /nfs/dbraw/zinc/47/13/78/624471378.db2.gz ODYYQBVMQNKTAK-OKILXGFUSA-N 1 0 322.428 2.208 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+](C2CC2)CC1 ZINC000891710077 624553347 /nfs/dbraw/zinc/55/33/47/624553347.db2.gz GKJGAQFYXMTOGX-UHFFFAOYSA-N 1 0 323.824 2.472 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000891813871 624612631 /nfs/dbraw/zinc/61/26/31/624612631.db2.gz MFQSQOGVQQKAIN-XKQJLSEDSA-N 1 0 316.449 2.350 20 10 DECDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1OC ZINC000891864893 624634323 /nfs/dbraw/zinc/63/43/23/624634323.db2.gz WDYONWIOSUNDAK-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnco3)C2)cc1C ZINC001022512839 624705246 /nfs/dbraw/zinc/70/52/46/624705246.db2.gz XWLYNGZGFIQRHY-OKILXGFUSA-N 1 0 315.373 2.042 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(O)c1OC ZINC000892217441 624849938 /nfs/dbraw/zinc/84/99/38/624849938.db2.gz 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CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001028373 635390492 /nfs/dbraw/zinc/39/04/92/635390492.db2.gz AQKQMXPAVLSCRS-CQSZACIVSA-N 1 0 317.393 2.452 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922113069 635874995 /nfs/dbraw/zinc/87/49/95/635874995.db2.gz JCXPHKOFPYQGPE-RDJZCZTQSA-N 1 0 307.434 2.259 20 10 DECDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000894095915 636111552 /nfs/dbraw/zinc/11/15/52/636111552.db2.gz SIRNLKMMKVTSDT-NSHDSACASA-N 1 0 308.332 2.174 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000178755520 636229820 /nfs/dbraw/zinc/22/98/20/636229820.db2.gz ZZRQFAJPMYUMJP-HNNXBMFYSA-N 1 0 321.490 2.244 20 10 DECDRO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c(O)c1OC ZINC000894136146 636267763 /nfs/dbraw/zinc/26/77/63/636267763.db2.gz CIYBHUUFLLXLLQ-ABAIWWIYSA-N 1 0 307.390 2.409 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1F ZINC000922597196 636274436 /nfs/dbraw/zinc/27/44/36/636274436.db2.gz UEEYGEHKGCJYGK-UHFFFAOYSA-N 1 0 322.424 2.303 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894173455 636385691 /nfs/dbraw/zinc/38/56/91/636385691.db2.gz ITAAKMKECCVTGU-LLVKDONJSA-N 1 0 320.364 2.230 20 10 DECDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922817962 636426046 /nfs/dbraw/zinc/42/60/46/636426046.db2.gz QMHHTKKCAFMHLQ-QGZVFWFLSA-N 1 0 306.450 2.288 20 10 DECDRO CC[N@H+](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000726708844 636457244 /nfs/dbraw/zinc/45/72/44/636457244.db2.gz DXIZYFFRBXZBAY-UHFFFAOYSA-N 1 0 324.444 2.421 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000073915865 636566468 /nfs/dbraw/zinc/56/64/68/636566468.db2.gz RPMOOUGEKPJSKG-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO CNc1cc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)ncn1 ZINC000894269903 636634490 /nfs/dbraw/zinc/63/44/90/636634490.db2.gz XCNPNQCVLOYUOS-CYBMUJFWSA-N 1 0 313.405 2.465 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccc(N(C)C)cc1 ZINC000894285120 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OC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000895150713 637672756 /nfs/dbraw/zinc/67/27/56/637672756.db2.gz BELXWXVCNRBCFC-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO OC[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895151525 637676335 /nfs/dbraw/zinc/67/63/35/637676335.db2.gz KRIJXROHAMIMNL-MRXNPFEDSA-N 1 0 322.424 2.399 20 10 DECDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839499781 637897040 /nfs/dbraw/zinc/89/70/40/637897040.db2.gz TXXACQNOCGOMIQ-LSDHHAIUSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000840909372 650376735 /nfs/dbraw/zinc/37/67/35/650376735.db2.gz AMKOEIYKXARQMJ-KRWDZBQOSA-N 1 0 301.434 2.304 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000895323365 637927882 /nfs/dbraw/zinc/92/78/82/637927882.db2.gz BSCMVUCYGODKMK-UGSOOPFHSA-N 1 0 323.433 2.016 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1 ZINC000895341195 637945233 /nfs/dbraw/zinc/94/52/33/637945233.db2.gz FUYSPLDLWLVNQD-HNNXBMFYSA-N 1 0 303.406 2.080 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000840920657 650383643 /nfs/dbraw/zinc/38/36/43/650383643.db2.gz XVCYUWLAJFTDKC-UHFFFAOYSA-N 1 0 304.434 2.442 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)c1O ZINC000895402013 638001616 /nfs/dbraw/zinc/00/16/16/638001616.db2.gz HYFVXTFFTOQTCB-OAHLLOKOSA-N 1 0 312.369 2.362 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC000895437567 638024065 /nfs/dbraw/zinc/02/40/65/638024065.db2.gz NFBDJLZSSVZOTK-QZTJIDSGSA-N 1 0 322.424 2.398 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000840953332 650394294 /nfs/dbraw/zinc/39/42/94/650394294.db2.gz QCZLKOMKADUFER-SJORKVTESA-N 1 0 301.434 2.304 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000895716926 638160701 /nfs/dbraw/zinc/16/07/01/638160701.db2.gz NEKCSWAIFVVZQY-INIZCTEOSA-N 1 0 301.434 2.162 20 10 DECDRO COc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c(O)c1OC ZINC000895754807 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COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1 ZINC000896397071 638502281 /nfs/dbraw/zinc/50/22/81/638502281.db2.gz UREWZFFNVMMUGK-DYVFJYSZSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1 ZINC000896460936 638533993 /nfs/dbraw/zinc/53/39/93/638533993.db2.gz TYOLWIOXJBIQAB-KRWDZBQOSA-N 1 0 304.390 2.411 20 10 DECDRO COc1cccc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1O ZINC000896461442 638535026 /nfs/dbraw/zinc/53/50/26/638535026.db2.gz WJVUXVUOJWAQJN-KRWDZBQOSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000896999353 639120949 /nfs/dbraw/zinc/12/09/49/639120949.db2.gz VZLCJPSJZZNRPU-CYBMUJFWSA-N 1 0 308.378 2.341 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000756368985 639654779 /nfs/dbraw/zinc/65/47/79/639654779.db2.gz AIFLQPKETQWAHD-SCVCMEIPSA-N 1 0 313.394 2.104 20 10 DECDRO CC[NH2+]CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841934743 639674015 /nfs/dbraw/zinc/67/40/15/639674015.db2.gz JFXCQBOTHGRDQB-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO C[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)S(C)(=O)=O ZINC000756768957 639692981 /nfs/dbraw/zinc/69/29/81/639692981.db2.gz BQFXEAQLXVWFTK-YWVKMMECSA-N 1 0 301.383 2.102 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775003 639693683 /nfs/dbraw/zinc/69/36/83/639693683.db2.gz GHRCTEGWCSTKDT-JIMOISOXSA-N 1 0 305.353 2.136 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000839665564 639785154 /nfs/dbraw/zinc/78/51/54/639785154.db2.gz ICGNQKYOUJBRBK-PKOBYXMFSA-N 1 0 318.461 2.160 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCOCC2)c2c1c(F)ccc2O ZINC000757658664 639866413 /nfs/dbraw/zinc/86/64/13/639866413.db2.gz JARLNNYPXDRLBA-DDTOSNHZSA-N 1 0 309.381 2.457 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000841717340 650549566 /nfs/dbraw/zinc/54/95/66/650549566.db2.gz KAYMKMWCIMPPNY-UHFFFAOYSA-N 1 0 318.465 2.474 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000841718367 650550526 /nfs/dbraw/zinc/55/05/26/650550526.db2.gz SJKSCSPUBCIYLJ-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1 ZINC000841717980 650550528 /nfs/dbraw/zinc/55/05/28/650550528.db2.gz OYDJGVDDQABYEE-LSDHHAIUSA-N 1 0 318.465 2.425 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000841719419 650551142 /nfs/dbraw/zinc/55/11/42/650551142.db2.gz LZXQPAVNQQHGKZ-MRXNPFEDSA-N 1 0 318.465 2.332 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000841719644 650551328 /nfs/dbraw/zinc/55/13/28/650551328.db2.gz MTPVEZJJYQKWDH-INIZCTEOSA-N 1 0 304.438 2.069 20 10 DECDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CCCC[NH2+]3)ccc21 ZINC000841759322 650558537 /nfs/dbraw/zinc/55/85/37/650558537.db2.gz NDQWMZVRIBXEII-MRXNPFEDSA-N 1 0 316.449 2.010 20 10 DECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Cl)cc1O ZINC000841752475 650557184 /nfs/dbraw/zinc/55/71/84/650557184.db2.gz OXXZKVUOYQDVGX-SECBINFHSA-N 1 0 303.811 2.273 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841790263 650564708 /nfs/dbraw/zinc/56/47/08/650564708.db2.gz BHSHPKUZQIMYHJ-MRXNPFEDSA-N 1 0 318.465 2.231 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1O ZINC000761195824 640284319 /nfs/dbraw/zinc/28/43/19/640284319.db2.gz PHMSSSSIDCMXKW-LBPRGKRZSA-N 1 0 312.797 2.284 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000841798105 650566805 /nfs/dbraw/zinc/56/68/05/650566805.db2.gz DRTJUBQDCJRQQX-CQSZACIVSA-N 1 0 322.428 2.223 20 10 DECDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000841826156 650572269 /nfs/dbraw/zinc/57/22/69/650572269.db2.gz DBQPZUXBPNYWBO-OAHLLOKOSA-N 1 0 318.465 2.202 20 10 DECDRO CCn1cncc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000841829153 650573862 /nfs/dbraw/zinc/57/38/62/650573862.db2.gz NSWOHOJMULOJCA-UHFFFAOYSA-N 1 0 314.433 2.372 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880836 650591022 /nfs/dbraw/zinc/59/10/22/650591022.db2.gz IKBFSYDGQVJYBX-CFVMTHIKSA-N 1 0 304.438 2.383 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841880646 650591273 /nfs/dbraw/zinc/59/12/73/650591273.db2.gz FLMUSIOKLGBROB-HEHGZKQESA-N 1 0 304.438 2.111 20 10 DECDRO C[C@@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841882361 650592139 /nfs/dbraw/zinc/59/21/39/650592139.db2.gz XYTYMQWCKFGIPF-CQSZACIVSA-N 1 0 316.449 2.423 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000764156497 640611594 /nfs/dbraw/zinc/61/15/94/640611594.db2.gz FTRDRGIWIOAOJY-NEPJUHHUSA-N 1 0 324.446 2.015 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841960554 650613626 /nfs/dbraw/zinc/61/36/26/650613626.db2.gz SJMVOPYPWPBMTA-YOEHRIQHSA-N 1 0 318.465 2.183 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000841946494 650608987 /nfs/dbraw/zinc/60/89/87/650608987.db2.gz ATSOVEIPOLFHMS-RDJZCZTQSA-N 1 0 318.465 2.412 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765766075 640816920 /nfs/dbraw/zinc/81/69/20/640816920.db2.gz BAECDUNBYONZTB-DZGCQCFKSA-N 1 0 307.413 2.017 20 10 DECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1ccc(N)cc1 ZINC000841955309 650611173 /nfs/dbraw/zinc/61/11/73/650611173.db2.gz YVTDOINBXMCTTL-QGZVFWFLSA-N 1 0 318.465 2.327 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C[NH3+] ZINC000841961409 650614324 /nfs/dbraw/zinc/61/43/24/650614324.db2.gz BDCRMGHXQDYRTM-CQSZACIVSA-N 1 0 306.454 2.267 20 10 DECDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1 ZINC000841033823 640877991 /nfs/dbraw/zinc/87/79/91/640877991.db2.gz BTVOEIOSTPAAQE-UHFFFAOYSA-N 1 0 314.385 2.153 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000897683448 640901985 /nfs/dbraw/zinc/90/19/85/640901985.db2.gz DOSCINLFCZMXER-GUYCJALGSA-N 1 0 319.405 2.398 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000841971549 650616857 /nfs/dbraw/zinc/61/68/57/650616857.db2.gz JTMIGADXLVFVGH-UHFFFAOYSA-N 1 0 316.449 2.204 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841976775 650617791 /nfs/dbraw/zinc/61/77/91/650617791.db2.gz NYBDKPDKRCDGSA-RHSMWYFYSA-N 1 0 318.465 2.282 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/C[NH3+] ZINC000841994237 650622089 /nfs/dbraw/zinc/62/20/89/650622089.db2.gz CXARPXXALFRUSR-AATRIKPKSA-N 1 0 304.438 2.188 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\C[NH3+] ZINC000841994240 650622138 /nfs/dbraw/zinc/62/21/38/650622138.db2.gz CXARPXXALFRUSR-WAYWQWQTSA-N 1 0 304.438 2.188 20 10 DECDRO COc1nn(C)cc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000898025866 641003369 /nfs/dbraw/zinc/00/33/69/641003369.db2.gz NWMFRAVMSIGGRA-UHFFFAOYSA-N 1 0 311.769 2.086 20 10 DECDRO CN(C)c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000768250729 641062088 /nfs/dbraw/zinc/06/20/88/641062088.db2.gz BKCKZHUJKNHQRJ-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO COc1cccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1O ZINC000768252118 641062904 /nfs/dbraw/zinc/06/29/04/641062904.db2.gz XPDDDUKZXUWUCP-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO COc1cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c(O)cc1C ZINC000768445328 641082540 /nfs/dbraw/zinc/08/25/40/641082540.db2.gz GDYFWNUZZDAVRM-UHFFFAOYSA-N 1 0 320.433 2.400 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768467064 641086401 /nfs/dbraw/zinc/08/64/01/641086401.db2.gz WVBGYTJGYIOYDF-INIZCTEOSA-N 1 0 319.401 2.353 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000768891784 641140461 /nfs/dbraw/zinc/14/04/61/641140461.db2.gz XNLQNKSHEHYHBM-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cnc(N)s3)CC2)cc1 ZINC000768998565 641154011 /nfs/dbraw/zinc/15/40/11/641154011.db2.gz PKDBIGUOSVMINJ-UHFFFAOYSA-N 1 0 318.446 2.446 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(O)cccc1OC)CC2 ZINC000769478486 641248108 /nfs/dbraw/zinc/24/81/08/641248108.db2.gz DUYIHJAAISZNGE-IRXDYDNUSA-N 1 0 321.417 2.153 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C)OC)CC2)cc1C ZINC000990102924 641355634 /nfs/dbraw/zinc/35/56/34/641355634.db2.gz JNXCJOSCLSDQPN-CQSZACIVSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841045904 641470919 /nfs/dbraw/zinc/47/09/19/641470919.db2.gz SINNIRQEYMZLFD-QGZVFWFLSA-N 1 0 315.417 2.256 20 10 DECDRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000842167583 650664932 /nfs/dbraw/zinc/66/49/32/650664932.db2.gz VCKKWVFYKHEWBS-KFWWJZLASA-N 1 0 303.450 2.345 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(F)ccc1O ZINC000927104223 641629873 /nfs/dbraw/zinc/62/98/73/641629873.db2.gz KFWRHTQTNRPPER-WFASDCNBSA-N 1 0 308.397 2.435 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(F)ccc1O ZINC000927104221 641630112 /nfs/dbraw/zinc/63/01/12/641630112.db2.gz KFWRHTQTNRPPER-IUODEOHRSA-N 1 0 308.397 2.435 20 10 DECDRO COC[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000898450351 641662038 /nfs/dbraw/zinc/66/20/38/641662038.db2.gz QJAJPIULYOGOOM-ZWKOTPCHSA-N 1 0 305.466 2.370 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773372440 641766178 /nfs/dbraw/zinc/76/61/78/641766178.db2.gz UDFFTFARIUZNCR-LSDHHAIUSA-N 1 0 318.465 2.455 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c(O)c1 ZINC000927145992 641777146 /nfs/dbraw/zinc/77/71/46/641777146.db2.gz MIHWUJMMHRTHET-QWHCGFSZSA-N 1 0 300.406 2.346 20 10 DECDRO COc1c(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000775109611 642008184 /nfs/dbraw/zinc/00/81/84/642008184.db2.gz ZIWPLSCUFJODFX-MJVIPROJSA-N 1 0 324.377 2.290 20 10 DECDRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255936 642022338 /nfs/dbraw/zinc/02/23/38/642022338.db2.gz SBDZTOXRYCKAKQ-UJMHRVFCSA-N 1 0 318.417 2.293 20 10 DECDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000775679321 642077535 /nfs/dbraw/zinc/07/75/35/642077535.db2.gz WVHHUJRICZMYBC-UHFFFAOYSA-N 1 0 322.405 2.454 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000776174763 642138864 /nfs/dbraw/zinc/13/88/64/642138864.db2.gz FYHBUCAFNSXHKB-UHFFFAOYSA-N 1 0 301.342 2.477 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000776252070 642149168 /nfs/dbraw/zinc/14/91/68/642149168.db2.gz MVZHEKGREACBQO-OAHLLOKOSA-N 1 0 305.349 2.233 20 10 DECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000776520249 642180903 /nfs/dbraw/zinc/18/09/03/642180903.db2.gz LCCPIPUVOXMBCK-HNNXBMFYSA-N 1 0 315.797 2.228 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1ccccc1O ZINC000776866668 642213966 /nfs/dbraw/zinc/21/39/66/642213966.db2.gz GKNAXSHHHUREIU-YQQAZPJKSA-N 1 0 309.406 2.253 20 10 DECDRO COc1cc(C[NH+]2CCC(O)(C(F)F)CC2)c(O)cc1C ZINC000777570533 642282594 /nfs/dbraw/zinc/28/25/94/642282594.db2.gz OPXITFQMKMEVEH-UHFFFAOYSA-N 1 0 301.333 2.301 20 10 DECDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cn1 ZINC000778996654 642453347 /nfs/dbraw/zinc/45/33/47/642453347.db2.gz WHHHLWMFTJOHLM-UHFFFAOYSA-N 1 0 314.345 2.018 20 10 DECDRO C[C@H](CCO)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000779339468 642488650 /nfs/dbraw/zinc/48/86/50/642488650.db2.gz CMJJJRIOPHIUGN-MGPQQGTHSA-N 1 0 310.413 2.300 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)CCNC(C)=O)c2c1 ZINC000842631556 650789607 /nfs/dbraw/zinc/78/96/07/650789607.db2.gz OCMHHJHSXMQTII-UHFFFAOYSA-N 1 0 302.374 2.122 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625039 650786142 /nfs/dbraw/zinc/78/61/42/650786142.db2.gz HSUCDLBWLVUBFT-SUMWQHHRSA-N 1 0 312.369 2.203 20 10 DECDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000783534690 643015709 /nfs/dbraw/zinc/01/57/09/643015709.db2.gz GNLKAEFGPPJIKT-HZSPNIEDSA-N 1 0 310.413 2.472 20 10 DECDRO COc1ccc(N2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902472470 643041192 /nfs/dbraw/zinc/04/11/92/643041192.db2.gz AKWFXMCUVUHQQI-FHLIZLRMSA-N 1 0 301.434 2.147 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000783722835 643042339 /nfs/dbraw/zinc/04/23/39/643042339.db2.gz IZSSOVFKQVTRHP-CQSZACIVSA-N 1 0 323.456 2.169 20 10 DECDRO COc1cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c(O)cc1C ZINC000902514845 643061693 /nfs/dbraw/zinc/06/16/93/643061693.db2.gz RCLGGSPXZVKHHY-CQSZACIVSA-N 1 0 320.389 2.030 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000784670057 643163587 /nfs/dbraw/zinc/16/35/87/643163587.db2.gz LJCNZWOURNIOTJ-SAABIXHNSA-N 1 0 304.434 2.259 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000784681339 643164082 /nfs/dbraw/zinc/16/40/82/643164082.db2.gz SVLLAFHTHVILRL-OAHLLOKOSA-N 1 0 301.386 2.484 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCc2nnnn2C)c1O ZINC000903348432 643322081 /nfs/dbraw/zinc/32/20/81/643322081.db2.gz CDPFIJGJADVDML-SNVBAGLBSA-N 1 0 309.801 2.161 20 10 DECDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903404102 643345900 /nfs/dbraw/zinc/34/59/00/643345900.db2.gz ICJPESMRFKZLJM-UGSOOPFHSA-N 1 0 322.424 2.474 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]C2CCC(O)CC2)N(C)C)cc1 ZINC000903447912 643354683 /nfs/dbraw/zinc/35/46/83/643354683.db2.gz FXGSUGLHPBEMCD-VJFUWPCTSA-N 1 0 305.466 2.248 20 10 DECDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnnc1 ZINC000903449157 643355718 /nfs/dbraw/zinc/35/57/18/643355718.db2.gz VUCHTYRYFAMQDK-RDTXWAMCSA-N 1 0 313.449 2.496 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787443199 643495778 /nfs/dbraw/zinc/49/57/78/643495778.db2.gz BLLPWRUTKQOSKC-IAQYHMDHSA-N 1 0 304.390 2.205 20 10 DECDRO CN(C)c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974265 643531625 /nfs/dbraw/zinc/53/16/25/643531625.db2.gz NOOAIXGKYRWRAD-INIZCTEOSA-N 1 0 303.450 2.001 20 10 DECDRO COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903981386 643535463 /nfs/dbraw/zinc/53/54/63/643535463.db2.gz CPQQQTPXRFFRHV-GHMZBOCLSA-N 1 0 304.312 2.112 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1ccc(NC(C)=O)nc1 ZINC000788524753 643620725 /nfs/dbraw/zinc/62/07/25/643620725.db2.gz SXXGZPAVNPRXRU-UHFFFAOYSA-N 1 0 301.346 2.044 20 10 DECDRO C[C@@H]([NH2+]CCCOCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000788736359 643640389 /nfs/dbraw/zinc/64/03/89/643640389.db2.gz UPOVTNKKURKGLE-SNVBAGLBSA-N 1 0 307.312 2.461 20 10 DECDRO COc1cc(O)c(C[N@H+](C)Cc2cnn(C)c2C)cc1OC ZINC000790417167 643850104 /nfs/dbraw/zinc/85/01/04/643850104.db2.gz GREYOYJTXWJBFV-UHFFFAOYSA-N 1 0 305.378 2.083 20 10 DECDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)O ZINC000790995182 643918728 /nfs/dbraw/zinc/91/87/28/643918728.db2.gz HFYMZSFGYCHBAS-KRWDZBQOSA-N 1 0 306.450 2.408 20 10 DECDRO CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843052708 650878426 /nfs/dbraw/zinc/87/84/26/650878426.db2.gz RRKKZGMAGZFEPE-NVXWUHKLSA-N 1 0 321.440 2.222 20 10 DECDRO Cc1ccc(C[N@H+](CCO)Cc2cc3c(cc2O)OCO3)o1 ZINC000793366807 644241318 /nfs/dbraw/zinc/24/13/18/644241318.db2.gz UGKCTTBWAFDKJA-UHFFFAOYSA-N 1 0 305.330 2.017 20 10 DECDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc(OC)ccc2O)C1 ZINC000907060155 644433189 /nfs/dbraw/zinc/43/31/89/644433189.db2.gz LEQWAFNVAZVVLE-ZDUSSCGKSA-N 1 0 306.406 2.139 20 10 DECDRO CNC(=O)c1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350322 650954880 /nfs/dbraw/zinc/95/48/80/650954880.db2.gz MMPKVCQMXYWROI-UHFFFAOYSA-N 1 0 309.413 2.458 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@](C)(F)C2)c1O ZINC000843387446 650964056 /nfs/dbraw/zinc/96/40/56/650964056.db2.gz JMBVJRKIAQTSLX-HNNXBMFYSA-N 1 0 314.788 2.382 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3cn(C)cn3)CC2)cc1 ZINC000798227311 644987470 /nfs/dbraw/zinc/98/74/70/644987470.db2.gz CIWQXRUWIUODKV-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCO2 ZINC000841086261 644997867 /nfs/dbraw/zinc/99/78/67/644997867.db2.gz GSQASHFSARADGO-OCCSQVGLSA-N 1 0 304.390 2.085 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000103614678 645091064 /nfs/dbraw/zinc/09/10/64/645091064.db2.gz DGXQNPCLWDDGNO-GFCCVEGCSA-N 1 0 309.410 2.101 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@H+](C)C1CC1 ZINC000105205989 650983546 /nfs/dbraw/zinc/98/35/46/650983546.db2.gz AXXSVYMFMFUFTB-LBPRGKRZSA-N 1 0 322.428 2.174 20 10 DECDRO C[C@H]1CN(CC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000800334050 645258549 /nfs/dbraw/zinc/25/85/49/645258549.db2.gz AIMHLCOYJRSXKY-INIZCTEOSA-N 1 0 317.477 2.438 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000808692586 645294480 /nfs/dbraw/zinc/29/44/80/645294480.db2.gz RNELJJMKGMJDBF-SNVBAGLBSA-N 1 0 305.827 2.439 20 10 DECDRO CC[NH+](CC)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919708 645302763 /nfs/dbraw/zinc/30/27/63/645302763.db2.gz SNYDGHOCTNDHIV-HNNXBMFYSA-N 1 0 305.466 2.450 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000105263368 650999284 /nfs/dbraw/zinc/99/92/84/650999284.db2.gz GZRMQABEONZZAS-RYUDHWBXSA-N 1 0 321.421 2.244 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(O)cc1O ZINC000910951823 645593282 /nfs/dbraw/zinc/59/32/82/645593282.db2.gz VSBNKFSLVLTZKH-UHFFFAOYSA-N 1 0 306.387 2.151 20 10 DECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCc1ccco1 ZINC000111399129 645959539 /nfs/dbraw/zinc/95/95/39/645959539.db2.gz YNAYKIGMXLHVQU-JTQLQIEISA-N 1 0 308.765 2.433 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000808206563 646056508 /nfs/dbraw/zinc/05/65/08/646056508.db2.gz CSEUKSJIXRNYLI-CQSZACIVSA-N 1 0 318.417 2.154 20 10 DECDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840178259 646230309 /nfs/dbraw/zinc/23/03/09/646230309.db2.gz NRPXTZBDUXRDJA-LBPRGKRZSA-N 1 0 320.433 2.305 20 10 DECDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157403952 646534624 /nfs/dbraw/zinc/53/46/24/646534624.db2.gz WWRCLWADFIXKAR-ZDUSSCGKSA-N 1 0 308.397 2.085 20 10 DECDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000157638836 646545950 /nfs/dbraw/zinc/54/59/50/646545950.db2.gz MUZFJEWEECCOEF-INIZCTEOSA-N 1 0 314.433 2.288 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)n(C)c1C ZINC000812747721 646692436 /nfs/dbraw/zinc/69/24/36/646692436.db2.gz CJXBTIGESPBLHL-UHFFFAOYSA-N 1 0 314.385 2.345 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)n(C)c1C ZINC000812758695 646693019 /nfs/dbraw/zinc/69/30/19/646693019.db2.gz LHEIKUXQVQIWJN-UHFFFAOYSA-N 1 0 318.373 2.124 20 10 DECDRO Cn1ncc2ccc(C[NH2+]Cc3cc4c(cc3O)OCO4)cc21 ZINC000812771782 646693064 /nfs/dbraw/zinc/69/30/64/646693064.db2.gz JXPQNCDJBCFAEE-UHFFFAOYSA-N 1 0 311.341 2.297 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C ZINC000813861049 646816600 /nfs/dbraw/zinc/81/66/00/646816600.db2.gz NTQMQHMYLHDQRS-CKEIUWERSA-N 1 0 322.474 2.056 20 10 DECDRO Cc1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1N(C)C ZINC000815288761 646997921 /nfs/dbraw/zinc/99/79/21/646997921.db2.gz BUIYWNOGXDKTBK-MOPGFXCFSA-N 1 0 318.461 2.471 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815289909 646998201 /nfs/dbraw/zinc/99/82/01/646998201.db2.gz REMSPANJWRPBBB-ZWKOTPCHSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1 ZINC000815601575 647034387 /nfs/dbraw/zinc/03/43/87/647034387.db2.gz ZDFQAKRIQZPFJE-OFQRWUPVSA-N 1 0 320.433 2.295 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(O)c1 ZINC000815598847 647034400 /nfs/dbraw/zinc/03/44/00/647034400.db2.gz DUIMBZFKBCTDIA-ZDUSSCGKSA-N 1 0 311.447 2.484 20 10 DECDRO Oc1c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)ccc2ccccc21 ZINC000816548478 647150816 /nfs/dbraw/zinc/15/08/16/647150816.db2.gz JGEQCWVDZOVVJL-IRXDYDNUSA-N 1 0 312.413 2.498 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)[C@@H]1CN(C)CCO1 ZINC000816557535 647151688 /nfs/dbraw/zinc/15/16/88/647151688.db2.gz UQDCAHZYLMZTBL-DYVFJYSZSA-N 1 0 300.402 2.354 20 10 DECDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610437 647157887 /nfs/dbraw/zinc/15/78/87/647157887.db2.gz KIJTYOQKEOYWIA-UHFFFAOYSA-N 1 0 317.836 2.110 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1n1cccn1 ZINC000816672093 647166914 /nfs/dbraw/zinc/16/69/14/647166914.db2.gz PKAVXMLJLOKRDF-IMJJTQAJSA-N 1 0 305.353 2.236 20 10 DECDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000152800357 647277211 /nfs/dbraw/zinc/27/72/11/647277211.db2.gz XPQVQDMOGXEPPM-LLVKDONJSA-N 1 0 314.480 2.019 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1F ZINC000817412256 647288076 /nfs/dbraw/zinc/28/80/76/647288076.db2.gz HDTXCYTUUCCOGZ-OAHLLOKOSA-N 1 0 307.413 2.382 20 10 DECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000152897390 647299155 /nfs/dbraw/zinc/29/91/55/647299155.db2.gz IKTGNCJPKNZANP-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817941540 647389003 /nfs/dbraw/zinc/38/90/03/647389003.db2.gz RJADSRIUUFLAJM-DZGCQCFKSA-N 1 0 307.413 2.065 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817946884 647390403 /nfs/dbraw/zinc/39/04/03/647390403.db2.gz HECILNILXWAZHR-MBNYWOFBSA-N 1 0 306.406 2.218 20 10 DECDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945999 647390573 /nfs/dbraw/zinc/39/05/73/647390573.db2.gz PMWUBKFVRVVQLG-HOCLYGCPSA-N 1 0 321.440 2.455 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)Cn3cccn3)C2)cc1 ZINC000818342720 647456295 /nfs/dbraw/zinc/45/62/95/647456295.db2.gz UXEFUYWYWYLMOW-HZPDHXFCSA-N 1 0 314.433 2.396 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCn4ccnc43)C2)cc1 ZINC000818341817 647456363 /nfs/dbraw/zinc/45/63/63/647456363.db2.gz GZQDAVNZLHAMBJ-WMLDXEAASA-N 1 0 312.417 2.453 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731864514 647515218 /nfs/dbraw/zinc/51/52/18/647515218.db2.gz YWKFDKZAISMFKM-CYBMUJFWSA-N 1 0 304.415 2.356 20 10 DECDRO O[C@H](C[NH2+]CCCSc1nccs1)c1ccc(F)cn1 ZINC000819064232 647576177 /nfs/dbraw/zinc/57/61/77/647576177.db2.gz UTWLVFYOXMWIAV-GFCCVEGCSA-N 1 0 313.423 2.483 20 10 DECDRO COCC(C)(C)[NH+]1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000819895922 647736428 /nfs/dbraw/zinc/73/64/28/647736428.db2.gz VFOIXSOUBJGTEX-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000994496201 647970426 /nfs/dbraw/zinc/97/04/26/647970426.db2.gz OVGLSVNMHDMOMF-RISCZKNCSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000821065043 647982668 /nfs/dbraw/zinc/98/26/68/647982668.db2.gz JDAXDRAEKOBDNT-ZDUSSCGKSA-N 1 0 318.417 2.454 20 10 DECDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000822434301 648207176 /nfs/dbraw/zinc/20/71/76/648207176.db2.gz BOQGIBXGTCRODP-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO C[C@H]1[C@@H](NC(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000921447743 648318775 /nfs/dbraw/zinc/31/87/75/648318775.db2.gz RJGRRIFVPZRPQW-QWRGUYRKSA-N 1 0 314.480 2.017 20 10 DECDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC000823800630 648486319 /nfs/dbraw/zinc/48/63/19/648486319.db2.gz IAEDIBSWIUBUNQ-GXTWGEPZSA-N 1 0 315.377 2.015 20 10 DECDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180435265 648490695 /nfs/dbraw/zinc/49/06/95/648490695.db2.gz WPMRNFCQDRPNCH-CQSZACIVSA-N 1 0 318.396 2.210 20 10 DECDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180752654 648512214 /nfs/dbraw/zinc/51/22/14/648512214.db2.gz OHCZBGAAXFWPFQ-KGXGESDWSA-N 1 0 304.390 2.054 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824516285 648600695 /nfs/dbraw/zinc/60/06/95/648600695.db2.gz LMFZDDYNHSUOJC-AWEZNQCLSA-N 1 0 317.410 2.361 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000824564985 648611657 /nfs/dbraw/zinc/61/16/57/648611657.db2.gz POOJCGSXHRQGLX-HNNXBMFYSA-N 1 0 312.841 2.290 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000824576174 648614461 /nfs/dbraw/zinc/61/44/61/648614461.db2.gz CDZQSFWAQTTWDJ-CQSZACIVSA-N 1 0 308.378 2.063 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(O)c1 ZINC000824655190 648630389 /nfs/dbraw/zinc/63/03/89/648630389.db2.gz UQICWWXTCICYJJ-ZMSDIMECSA-N 1 0 321.417 2.153 20 10 DECDRO CS[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824683390 648635051 /nfs/dbraw/zinc/63/50/51/648635051.db2.gz HFRPOOKYLBCZER-KRWDZBQOSA-N 1 0 305.491 2.376 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000824710544 648640410 /nfs/dbraw/zinc/64/04/10/648640410.db2.gz ZWPPAPAATDDXBS-YGRLFVJLSA-N 1 0 315.797 2.195 20 10 DECDRO OC[C@H]([C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1)C1CC1 ZINC000824845135 648661123 /nfs/dbraw/zinc/66/11/23/648661123.db2.gz IFAOYOZOCUUERU-GUYCJALGSA-N 1 0 305.374 2.008 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1Cl ZINC000824888533 648667076 /nfs/dbraw/zinc/66/70/76/648667076.db2.gz FQCSVRUATYRFPH-UHFFFAOYSA-N 1 0 319.792 2.006 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124252 648707590 /nfs/dbraw/zinc/70/75/90/648707590.db2.gz KXSWGNWMEWRGQW-MFKMUULPSA-N 1 0 305.296 2.146 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000825130253 648707901 /nfs/dbraw/zinc/70/79/01/648707901.db2.gz QQULGZMDNBVHAM-GXFFZTMASA-N 1 0 315.797 2.026 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000825247186 648730866 /nfs/dbraw/zinc/73/08/66/648730866.db2.gz OEOFDJFTNWPRED-KBPBESRZSA-N 1 0 310.825 2.307 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C)CCS(C)(=O)=O)cc1Cl ZINC000825341321 648745901 /nfs/dbraw/zinc/74/59/01/648745901.db2.gz HCIJNMIFKDPGFF-SNVBAGLBSA-N 1 0 305.827 2.267 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH2+]CC2CC2)cc1 ZINC000826019314 648838911 /nfs/dbraw/zinc/83/89/11/648838911.db2.gz DFXMCRCVDWMKRA-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1O ZINC000826821769 648931670 /nfs/dbraw/zinc/93/16/70/648931670.db2.gz CSOMVCPIYHRRET-QMTHXVAHSA-N 1 0 315.797 2.195 20 10 DECDRO 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Oc1cc2c(cc1C[NH+]1CCC(Cn3cnnc3)CC1)CCC2 ZINC000844733608 651162264 /nfs/dbraw/zinc/16/22/64/651162264.db2.gz PXJWXZMZGWCDFV-UHFFFAOYSA-N 1 0 312.417 2.385 20 10 DECDRO CCO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000844905420 651181340 /nfs/dbraw/zinc/18/13/40/651181340.db2.gz KDAXHOFYMUNMSC-IEBWSBKVSA-N 1 0 317.477 2.473 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000845007137 651192821 /nfs/dbraw/zinc/19/28/21/651192821.db2.gz DWKZRLBNDCARSP-ZDUSSCGKSA-N 1 0 311.813 2.329 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000845007136 651192912 /nfs/dbraw/zinc/19/29/12/651192912.db2.gz DWKZRLBNDCARSP-CYBMUJFWSA-N 1 0 311.813 2.329 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1O ZINC000846151083 651311303 /nfs/dbraw/zinc/31/13/03/651311303.db2.gz UYYMMKTZNHSWCG-LLVKDONJSA-N 1 0 315.435 2.265 20 10 DECDRO CCn1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1=O ZINC000846167623 651312490 /nfs/dbraw/zinc/31/24/90/651312490.db2.gz MCKIXZMOXLIYNA-LBPRGKRZSA-N 1 0 302.374 2.433 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2F)CC1 ZINC000106702507 651383387 /nfs/dbraw/zinc/38/33/87/651383387.db2.gz RSZVTBAZBVPBGC-UKRRQHHQSA-N 1 0 319.424 2.240 20 10 DECDRO C/C(=C\c1ccccn1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394065 651455795 /nfs/dbraw/zinc/45/57/95/651455795.db2.gz MODNXKMAJMKJLM-QIXNEVBVSA-N 1 0 324.428 2.367 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2conc2C(C)(C)[NH3+])cc1F ZINC000848412328 651456862 /nfs/dbraw/zinc/45/68/62/651456862.db2.gz NWYNACMVEJTRRB-UHFFFAOYSA-N 1 0 320.368 2.004 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1 ZINC000848558481 651470727 /nfs/dbraw/zinc/47/07/27/651470727.db2.gz RNHOEAJNGDWDMA-UHFFFAOYSA-N 1 0 319.493 2.469 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000848561966 651471108 /nfs/dbraw/zinc/47/11/08/651471108.db2.gz FCIGTIIDLNBPPY-KFWWJZLASA-N 1 0 322.449 2.378 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000848562777 651471120 /nfs/dbraw/zinc/47/11/20/651471120.db2.gz LVLAHSJUGZLUQI-GFCCVEGCSA-N 1 0 308.769 2.305 20 10 DECDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000848578772 651474636 /nfs/dbraw/zinc/47/46/36/651474636.db2.gz KRTPOWRWGCEVKZ-UHFFFAOYSA-N 1 0 315.369 2.406 20 10 DECDRO CCc1cccc(C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)c1O ZINC000848887563 651546691 /nfs/dbraw/zinc/54/66/91/651546691.db2.gz ZBRZKPZSOFHLKC-MRXNPFEDSA-N 1 0 321.417 2.499 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000848913685 651559023 /nfs/dbraw/zinc/55/90/23/651559023.db2.gz BMUJILZIERMHMI-BBWFWOEESA-N 1 0 305.418 2.316 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848928439 651564628 /nfs/dbraw/zinc/56/46/28/651564628.db2.gz DITWHOLDVWAJDS-CYBMUJFWSA-N 1 0 310.781 2.427 20 10 DECDRO c1cc(N2CCSCC2)ccc1CNC1=[NH+]CCCCN1 ZINC000849215699 651621226 /nfs/dbraw/zinc/62/12/26/651621226.db2.gz YJTHPTJZNQOVKY-UHFFFAOYSA-N 1 0 304.463 2.069 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855899382 651803594 /nfs/dbraw/zinc/80/35/94/651803594.db2.gz KOVMAHQEXZZADB-KXQLTZBTSA-N 1 0 318.417 2.348 20 10 DECDRO COc1cc(C[NH2+]CCc2nnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850179471 651854333 /nfs/dbraw/zinc/85/43/33/651854333.db2.gz ZYOLGIJIIJJONR-UHFFFAOYSA-N 1 0 304.394 2.149 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000850342450 651904074 /nfs/dbraw/zinc/90/40/74/651904074.db2.gz JRGVNBAIOQBKJM-UHFFFAOYSA-N 1 0 310.463 2.057 20 10 DECDRO CCn1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850347056 651904735 /nfs/dbraw/zinc/90/47/35/651904735.db2.gz MSBIXVRUUFWFDQ-OAHLLOKOSA-N 1 0 300.406 2.280 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)n(C)n3)C2)cc1 ZINC000850347206 651904873 /nfs/dbraw/zinc/90/48/73/651904873.db2.gz PQFGTOKUHCLPPF-AWEZNQCLSA-N 1 0 300.406 2.106 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](CO)C3CCC3)CC2)cc1 ZINC000850350530 651907146 /nfs/dbraw/zinc/90/71/46/651907146.db2.gz RVWQSXPQGKKQJO-GOSISDBHSA-N 1 0 304.434 2.415 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850395182 651919785 /nfs/dbraw/zinc/91/97/85/651919785.db2.gz DLEADYVMHGNDSK-QZTJIDSGSA-N 1 0 316.445 2.434 20 10 DECDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406788 651923049 /nfs/dbraw/zinc/92/30/49/651923049.db2.gz TXAMDSBMJACBKR-UHFFFAOYSA-N 1 0 306.450 2.410 20 10 DECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406434 651923068 /nfs/dbraw/zinc/92/30/68/651923068.db2.gz GSWJQEZEZVOUHC-MAUKXSAKSA-N 1 0 304.434 2.305 20 10 DECDRO CCN1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850488430 651937951 /nfs/dbraw/zinc/93/79/51/651937951.db2.gz MRSZFKSYQDUITP-INIZCTEOSA-N 1 0 303.450 2.348 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000850566167 651953698 /nfs/dbraw/zinc/95/36/98/651953698.db2.gz KUUPTOJEICCMAV-GDBMZVCRSA-N 1 0 304.434 2.162 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccnn1C ZINC000850567624 651953981 /nfs/dbraw/zinc/95/39/81/651953981.db2.gz HPOASIGGQPKTMK-CQSZACIVSA-N 1 0 314.433 2.232 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000850565396 651953992 /nfs/dbraw/zinc/95/39/92/651953992.db2.gz DFGXVXIZXBAPLX-GOSISDBHSA-N 1 0 304.434 2.162 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1CO ZINC000857061954 652044569 /nfs/dbraw/zinc/04/45/69/652044569.db2.gz XBYDQIITYPTOSJ-HOCLYGCPSA-N 1 0 322.424 2.113 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000851639597 652195162 /nfs/dbraw/zinc/19/51/62/652195162.db2.gz HWIZGAHQZWIORE-JKIFEVAISA-N 1 0 319.449 2.010 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C[NH2+]C)cc1 ZINC000851681631 652205740 /nfs/dbraw/zinc/20/57/40/652205740.db2.gz PYGAHSZZOKMDOF-CQSZACIVSA-N 1 0 306.454 2.282 20 10 DECDRO Cn1cc(/C=C\C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857930135 652208584 /nfs/dbraw/zinc/20/85/84/652208584.db2.gz FLKLAMGVZUHKBR-NLZINVLXSA-N 1 0 324.428 2.343 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCOC(F)F)CC2)cc1 ZINC000851733045 652219899 /nfs/dbraw/zinc/21/98/99/652219899.db2.gz IOKRLWDGKXFEGH-UHFFFAOYSA-N 1 0 300.349 2.447 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C2CCC(C(N)=O)CC2)cc1F ZINC000858136983 652262421 /nfs/dbraw/zinc/26/24/21/652262421.db2.gz BUBWBVPMIYDMEQ-UHFFFAOYSA-N 1 0 311.376 2.165 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1F ZINC000858149932 652267068 /nfs/dbraw/zinc/26/70/68/652267068.db2.gz AGKHBAQXEBIYAJ-LBPRGKRZSA-N 1 0 306.360 2.401 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2([S@](C)=O)CC2)cc1F ZINC000858162039 652269702 /nfs/dbraw/zinc/26/97/02/652269702.db2.gz MGEIABNMPLLXRP-FQEVSTJZSA-N 1 0 302.390 2.032 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)n(C)c1C ZINC000858239677 652286868 /nfs/dbraw/zinc/28/68/68/652286868.db2.gz RVERNYPIXJUELY-UHFFFAOYSA-N 1 0 302.374 2.424 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1F ZINC000858276115 652295209 /nfs/dbraw/zinc/29/52/09/652295209.db2.gz JYVCJEOCUSXWHR-OAHLLOKOSA-N 1 0 309.429 2.092 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000858297174 652299379 /nfs/dbraw/zinc/29/93/79/652299379.db2.gz CIXWNJGLNHFPLC-LJQANCHMSA-N 1 0 319.493 2.469 20 10 DECDRO COc1cccc(C[NH2+]C2(c3cc(C)no3)CCOCC2)c1O ZINC000858325792 652307149 /nfs/dbraw/zinc/30/71/49/652307149.db2.gz MCCSFWWETXCWQH-UHFFFAOYSA-N 1 0 318.373 2.493 20 10 DECDRO Cc1cc(Br)cc(CNCC23CC(C2)C[NH2+]3)c1O ZINC000853245992 652528466 /nfs/dbraw/zinc/52/84/66/652528466.db2.gz FTUXYIZAACWKAG-UHFFFAOYSA-N 1 0 311.223 2.305 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]2N1 ZINC000853558195 652567834 /nfs/dbraw/zinc/56/78/34/652567834.db2.gz OUTUYBMKUNMGTI-RDJZCZTQSA-N 1 0 314.429 2.372 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)cc1C ZINC000853595958 652575473 /nfs/dbraw/zinc/57/54/73/652575473.db2.gz VKWQXCDUZGNGFD-AWEZNQCLSA-N 1 0 318.417 2.154 20 10 DECDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000039519479 683888003 /nfs/dbraw/zinc/88/80/03/683888003.db2.gz GHUHGWLMDSVPJQ-GJZGRUSLSA-N 1 0 303.450 2.347 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000093278011 684048741 /nfs/dbraw/zinc/04/87/41/684048741.db2.gz SLFMBFXDBVZDME-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1O ZINC000120911758 684102842 /nfs/dbraw/zinc/10/28/42/684102842.db2.gz NSBXWWJIPWTKQM-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000130976238 684194584 /nfs/dbraw/zinc/19/45/84/684194584.db2.gz AAQNXZLLFORWPR-XYZCENFISA-N 1 0 320.252 2.354 20 10 DECDRO COc1ccc(O)c(CNC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000156454057 684289256 /nfs/dbraw/zinc/28/92/56/684289256.db2.gz CSYOZTDRIJFRCN-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO CC(C)(O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000189941789 684392804 /nfs/dbraw/zinc/39/28/04/684392804.db2.gz HILUIUMMWYSYRZ-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO C[C@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[NH2+]1 ZINC000861686298 686169870 /nfs/dbraw/zinc/16/98/70/686169870.db2.gz NKNYHUBCNDMBOC-JSGCOSHPSA-N 1 0 317.433 2.211 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1F ZINC000862250510 686265712 /nfs/dbraw/zinc/26/57/12/686265712.db2.gz POGQKRBINJXTCY-LLVKDONJSA-N 1 0 311.376 2.118 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862427872 686301183 /nfs/dbraw/zinc/30/11/83/686301183.db2.gz GNRBODPRCAWWEQ-LBPRGKRZSA-N 1 0 312.797 2.107 20 10 DECDRO COc1cccc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c1O ZINC000862433040 686301691 /nfs/dbraw/zinc/30/16/91/686301691.db2.gz SHSMSZJSXGPRCO-UHFFFAOYSA-N 1 0 303.362 2.230 20 10 DECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000862488997 686310616 /nfs/dbraw/zinc/31/06/16/686310616.db2.gz WQGTUAPTDQGPRL-CYBMUJFWSA-N 1 0 321.373 2.151 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000863481861 686508160 /nfs/dbraw/zinc/50/81/60/686508160.db2.gz MWDXHOAONAKKHY-ZWKOTPCHSA-N 1 0 303.450 2.394 20 10 DECDRO O[C@@H](CNc1ccccc1OCC(F)F)C[NH+]1CCCC1 ZINC000863558671 686521824 /nfs/dbraw/zinc/52/18/24/686521824.db2.gz SBQCJZMBDJKOTM-LBPRGKRZSA-N 1 0 300.349 2.199 20 10 DECDRO COc1cc(Cl)cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863650894 686540796 /nfs/dbraw/zinc/54/07/96/686540796.db2.gz DQCVJZWOGSSUTB-IYBDPMFKSA-N 1 0 310.825 2.486 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1C ZINC000865682068 687299940 /nfs/dbraw/zinc/29/99/40/687299940.db2.gz GCLSTXMWXGYLMC-ZDUSSCGKSA-N 1 0 314.311 2.494 20 10 DECDRO COC(C)(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865754395 687323562 /nfs/dbraw/zinc/32/35/62/687323562.db2.gz GWVPAVYMTRSZBL-UHFFFAOYSA-N 1 0 305.466 2.343 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccn(CCF)n3)cc2)CC1 ZINC000865837578 687350175 /nfs/dbraw/zinc/35/01/75/687350175.db2.gz QKBDGFZQLRHYMV-UHFFFAOYSA-N 1 0 317.412 2.217 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000866206906 687491196 /nfs/dbraw/zinc/49/11/96/687491196.db2.gz GHKDLNCEBOWWLM-RYUDHWBXSA-N 1 0 321.377 2.142 20 10 DECDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000866457579 687580018 /nfs/dbraw/zinc/58/00/18/687580018.db2.gz QQNOGQKWPUSKPV-LBPRGKRZSA-N 1 0 322.430 2.135 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@H]2CCc3cccc(O)c32)on1 ZINC000866515980 687597707 /nfs/dbraw/zinc/59/77/07/687597707.db2.gz PFYVCXLLTCMCDM-LBPRGKRZSA-N 1 0 302.330 2.334 20 10 DECDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1O ZINC000868098018 687909818 /nfs/dbraw/zinc/90/98/18/687909818.db2.gz RWPCEIFTMSHNDU-ZIAGYGMSSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000868209979 687948177 /nfs/dbraw/zinc/94/81/77/687948177.db2.gz IUNVFMBDNIXPAU-VHDGCEQUSA-N 1 0 303.406 2.379 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383846 687997881 /nfs/dbraw/zinc/99/78/81/687997881.db2.gz YREPPPJOYQKOOU-YNEHKIRRSA-N 1 0 303.406 2.378 20 10 DECDRO C[C@@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccccc1O ZINC000868489187 688032986 /nfs/dbraw/zinc/03/29/86/688032986.db2.gz RSAIOBJFVSYBLI-CHWSQXEVSA-N 1 0 303.406 2.403 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1O ZINC000868805843 688145489 /nfs/dbraw/zinc/14/54/89/688145489.db2.gz PCFRLXAYHVCPBK-KBPBESRZSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001019244228 688305909 /nfs/dbraw/zinc/30/59/09/688305909.db2.gz YTHIHVPSFGRYNM-UHOFOFEASA-N 1 0 302.418 2.350 20 10 DECDRO CCC1([NH+](C)C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000870573749 688599097 /nfs/dbraw/zinc/59/90/97/688599097.db2.gz PUMRATYCWDMYIV-VURMDHGXSA-N 1 0 318.417 2.444 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(CCF)c2)cc1 ZINC000930852801 694255117 /nfs/dbraw/zinc/25/51/17/694255117.db2.gz OBVGGGHZWXESJB-UHFFFAOYSA-N 1 0 320.412 2.429 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000872792994 689094766 /nfs/dbraw/zinc/09/47/66/689094766.db2.gz HTEGONAFHSJGFA-UHFFFAOYSA-N 1 0 314.385 2.435 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1Cn1cccn1 ZINC000873022130 689143032 /nfs/dbraw/zinc/14/30/32/689143032.db2.gz RDBPQNUIOBKUQB-MRXNPFEDSA-N 1 0 315.417 2.456 20 10 DECDRO CC[C@](C)(CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873038656 689146620 /nfs/dbraw/zinc/14/66/20/689146620.db2.gz UCJSPFKFBJRUNH-QGZVFWFLSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)CCO)cc1Cn1cccn1 ZINC000873129838 689165056 /nfs/dbraw/zinc/16/50/56/689165056.db2.gz VXJVFRQVBLLLCY-OAHLLOKOSA-N 1 0 317.433 2.438 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000873171796 689176022 /nfs/dbraw/zinc/17/60/22/689176022.db2.gz BSFPZKGAQZYKLR-ZXFUBFMLSA-N 1 0 322.474 2.198 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1O ZINC000875094109 689571073 /nfs/dbraw/zinc/57/10/73/689571073.db2.gz YBINRKISBVKZTL-MCIONIFRSA-N 1 0 303.406 2.379 20 10 DECDRO C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C[NH+]1CCCC1 ZINC000875118226 689574594 /nfs/dbraw/zinc/57/45/94/689574594.db2.gz LCNUIVRPTWIHHQ-ZDUSSCGKSA-N 1 0 303.406 2.149 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875345856 689610569 /nfs/dbraw/zinc/61/05/69/689610569.db2.gz JEPJGGJSGNAQHK-KGLIPLIRSA-N 1 0 303.406 2.290 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C)CC(F)(F)C2)cc1 ZINC000876505694 689842038 /nfs/dbraw/zinc/84/20/38/689842038.db2.gz AOSVGMKCSOTIEY-ZDUSSCGKSA-N 1 0 311.376 2.304 20 10 DECDRO CO[C@]1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCOC1 ZINC000876531650 689848961 /nfs/dbraw/zinc/84/89/61/689848961.db2.gz LJPDGERTBSKXGI-AEFFLSMTSA-N 1 0 321.417 2.179 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876714749 689913216 /nfs/dbraw/zinc/91/32/16/689913216.db2.gz CVSBIZAAQHNGFA-MRXNPFEDSA-N 1 0 317.477 2.174 20 10 DECDRO CN1CCCc2cc(CNC(=O)/C=C/[C@@H]3CCC[NH2+]C3)ccc21 ZINC000876740386 689923072 /nfs/dbraw/zinc/92/30/72/689923072.db2.gz MXQFKAIVQDSRSR-HEWZJLJBSA-N 1 0 313.445 2.241 20 10 DECDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876741952 689923806 /nfs/dbraw/zinc/92/38/06/689923806.db2.gz XJNZRKWYCCDRIG-NNCADPFVSA-N 1 0 313.445 2.097 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC000876763272 689929367 /nfs/dbraw/zinc/92/93/67/689929367.db2.gz JROQLXBPGPVDMM-IAGOWNOFSA-N 1 0 305.418 2.453 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000876767712 689931179 /nfs/dbraw/zinc/93/11/79/689931179.db2.gz CEPFTCVDJCGCGG-CYBMUJFWSA-N 1 0 305.447 2.310 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876778970 689934931 /nfs/dbraw/zinc/93/49/31/689934931.db2.gz SZGVYUISGDDBGR-PODYEWJSSA-N 1 0 315.417 2.034 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000876804894 689942338 /nfs/dbraw/zinc/94/23/38/689942338.db2.gz VSTJDUKLXZQPBF-APWZRJJASA-N 1 0 318.461 2.241 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876873331 689960218 /nfs/dbraw/zinc/96/02/18/689960218.db2.gz CUFZPCQCKMNGHM-GOEBONIOSA-N 1 0 307.413 2.049 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2oc(C[NH3+])cc2C)c1 ZINC000876879685 689962457 /nfs/dbraw/zinc/96/24/57/689962457.db2.gz VAWHEUCPISGQEQ-JTQLQIEISA-N 1 0 304.346 2.252 20 10 DECDRO CCN(CC)[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876916876 689972417 /nfs/dbraw/zinc/97/24/17/689972417.db2.gz INYFIJRIGJESAH-MRXNPFEDSA-N 1 0 319.493 2.468 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000876920371 689972968 /nfs/dbraw/zinc/97/29/68/689972968.db2.gz PDVBPGVAVPUINF-UHFFFAOYSA-N 1 0 300.406 2.351 20 10 DECDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876949635 689980732 /nfs/dbraw/zinc/98/07/32/689980732.db2.gz TZAHQGWXDUGEKF-IBGZPJMESA-N 1 0 317.477 2.078 20 10 DECDRO COc1ccc(C(=O)NCC[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876956138 689982445 /nfs/dbraw/zinc/98/24/45/689982445.db2.gz HMPTTYLTXKDNGP-UHFFFAOYSA-N 1 0 314.385 2.229 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000876965640 689984924 /nfs/dbraw/zinc/98/49/24/689984924.db2.gz JKYSDKLQQQTJOM-GOSISDBHSA-N 1 0 322.424 2.301 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cccn(C(F)F)c2=O)c1 ZINC000877035735 690004260 /nfs/dbraw/zinc/00/42/60/690004260.db2.gz JGPBVPGWTZUFCF-UHFFFAOYSA-N 1 0 310.300 2.247 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)cc1 ZINC000931195138 694337303 /nfs/dbraw/zinc/33/73/03/694337303.db2.gz GOIKFTIDJJYTBJ-UHFFFAOYSA-N 1 0 300.406 2.140 20 10 DECDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877442369 690114602 /nfs/dbraw/zinc/11/46/02/690114602.db2.gz FXTVWUSBTWOBKC-LPHOPBHVSA-N 1 0 318.461 2.288 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1Cn1cccn1 ZINC000877480591 690126537 /nfs/dbraw/zinc/12/65/37/690126537.db2.gz AGJDLJZWVVWDIM-KRWDZBQOSA-N 1 0 317.433 2.437 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000877483988 690126812 /nfs/dbraw/zinc/12/68/12/690126812.db2.gz SJCNFIMUSFAAPK-HNNXBMFYSA-N 1 0 317.433 2.278 20 10 DECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)O1 ZINC000877578452 690157617 /nfs/dbraw/zinc/15/76/17/690157617.db2.gz FDAFJPPDBKTNOR-KDOFPFPSSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000877592548 690161218 /nfs/dbraw/zinc/16/12/18/690161218.db2.gz QFGLYZRJESFDKG-HOCLYGCPSA-N 1 0 303.450 2.250 20 10 DECDRO CCOC(=O)CC1([NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877640115 690176053 /nfs/dbraw/zinc/17/60/53/690176053.db2.gz VBLLJEOKLIXCKK-UHFFFAOYSA-N 1 0 307.390 2.293 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(CCO)(CCO)CC2)cc1 ZINC000877692231 690193462 /nfs/dbraw/zinc/19/34/62/690193462.db2.gz WJCSBHARRSDPOF-UHFFFAOYSA-N 1 0 306.450 2.100 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCO[C@H]3C)CC2)cc1F ZINC000878180966 690337227 /nfs/dbraw/zinc/33/72/27/690337227.db2.gz JOAAYGDTWIWLQN-KBPBESRZSA-N 1 0 308.397 2.381 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@H](O)C(C)C)CC2)cc1F ZINC000878181156 690337968 /nfs/dbraw/zinc/33/79/68/690337968.db2.gz MJUBIYBWBBEQNR-INIZCTEOSA-N 1 0 310.413 2.363 20 10 DECDRO CCCn1nccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651416 690699378 /nfs/dbraw/zinc/69/93/78/690699378.db2.gz UTSDBKHOKYIARP-LBPRGKRZSA-N 1 0 302.378 2.288 20 10 DECDRO Cc1cc(C[N@@H+]2CCNC(=O)CC23CCC3)ccc1N(C)C ZINC000880166833 690827939 /nfs/dbraw/zinc/82/79/39/690827939.db2.gz DWIDZOZOMKQEQN-UHFFFAOYSA-N 1 0 301.434 2.306 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000880542281 690922658 /nfs/dbraw/zinc/92/26/58/690922658.db2.gz UQIKBWVHJWEXNX-UHFFFAOYSA-N 1 0 323.364 2.115 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCc3[nH+]ccc(N)c3C2)c1O ZINC000931512144 694416225 /nfs/dbraw/zinc/41/62/25/694416225.db2.gz FCACQXNNQCSUAI-UHFFFAOYSA-N 1 0 315.348 2.269 20 10 DECDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccccc1O ZINC000931553870 694427802 /nfs/dbraw/zinc/42/78/02/694427802.db2.gz IGVRYGFRCWYHDT-OLZOCXBDSA-N 1 0 306.406 2.069 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccncc3N)C2)cc1 ZINC000883149651 691441680 /nfs/dbraw/zinc/44/16/80/691441680.db2.gz GWQFDQJVVQEMRP-CQSZACIVSA-N 1 0 312.417 2.289 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883275858 691470356 /nfs/dbraw/zinc/47/03/56/691470356.db2.gz BQPMIHNJDSZQSF-GXTWGEPZSA-N 1 0 305.374 2.496 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1O ZINC000883310041 691479837 /nfs/dbraw/zinc/47/98/37/691479837.db2.gz ZCQAVLWQPGHKKF-VXGBXAGGSA-N 1 0 313.419 2.019 20 10 DECDRO CC[NH+]1CCC(C)(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001045647727 692010165 /nfs/dbraw/zinc/01/01/65/692010165.db2.gz SGDZFMXWHVHCEB-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1c([O-])cccc1F ZINC000886526353 692101791 /nfs/dbraw/zinc/10/17/91/692101791.db2.gz KWJBEPPWICBFST-UONOGXRCSA-N 1 0 310.413 2.419 20 10 DECDRO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c([O-])cccc1F ZINC000886526207 692102143 /nfs/dbraw/zinc/10/21/43/692102143.db2.gz HMRIUWVNBTXBBL-KBPBESRZSA-N 1 0 321.440 2.350 20 10 DECDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C ZINC000932107262 694549233 /nfs/dbraw/zinc/54/92/33/694549233.db2.gz KRIKQLWUGMTNPI-ZYHUDNBSSA-N 1 0 323.364 2.365 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000894371727 692983312 /nfs/dbraw/zinc/98/33/12/692983312.db2.gz FWSJQIPDBVISBV-CQSZACIVSA-N 1 0 307.390 2.485 20 10 DECDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000895328477 692995422 /nfs/dbraw/zinc/99/54/22/692995422.db2.gz GKPFGPYTHOJNIX-MJGOQNOKSA-N 1 0 313.397 2.377 20 10 DECDRO Cc1cc(C[NH2+][C@H]2CCOC23CCOCC3)ccc1N(C)C ZINC000925434775 693272920 /nfs/dbraw/zinc/27/29/20/693272920.db2.gz MHICNTRNOBOCNR-KRWDZBQOSA-N 1 0 304.434 2.489 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CNOC1)c1cc(Br)ccc1O ZINC000925861542 693356048 /nfs/dbraw/zinc/35/60/48/693356048.db2.gz DZHRCVZOHRYDOK-KOLCDFICSA-N 1 0 301.184 2.099 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC3(OC)OC)C2)cc1 ZINC000926681239 693491827 /nfs/dbraw/zinc/49/18/27/693491827.db2.gz XBVAWZAMQVVKRA-CZUORRHYSA-N 1 0 306.406 2.015 20 10 DECDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966952 693658184 /nfs/dbraw/zinc/65/81/84/693658184.db2.gz YNMZGEZMWHYQJJ-CYBMUJFWSA-N 1 0 317.393 2.453 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccccc2)c(O)c1OC ZINC001333694368 1150080671 /nfs/dbraw/zinc/08/06/71/1150080671.db2.gz YETXYJDUUWGTRD-OAHLLOKOSA-N 1 0 317.385 2.275 20 10 DECDRO COCCN(CC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001343329195 1150734202 /nfs/dbraw/zinc/73/42/02/1150734202.db2.gz ZYFAFZAHHJOBTI-UHFFFAOYSA-N 1 0 305.466 2.297 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3CCC2CC3)cc1 ZINC001345028956 1150859627 /nfs/dbraw/zinc/85/96/27/1150859627.db2.gz CRRBERBFMMCPGC-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001350583458 1151371760 /nfs/dbraw/zinc/37/17/60/1151371760.db2.gz LENDOVPTKTXWHY-UHFFFAOYSA-N 1 0 322.474 2.344 20 10 DECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H](F)C2)cc1Br ZINC001210611641 776930431 /nfs/dbraw/zinc/93/04/31/776930431.db2.gz SIGPEHOYJBDVIV-NSHDSACASA-N 1 0 317.202 2.206 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncc(N)cc3F)cc2)CC1 ZINC001167426527 777019252 /nfs/dbraw/zinc/01/92/52/777019252.db2.gz IDRGOZRMJMUCMD-UHFFFAOYSA-N 1 0 315.396 2.167 20 10 DECDRO CNc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167434472 777034322 /nfs/dbraw/zinc/03/43/22/777034322.db2.gz LTIUACLOSYMZFU-UHFFFAOYSA-N 1 0 311.433 2.487 20 10 DECDRO COc1ccc(N2CCN(CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001207274437 777292845 /nfs/dbraw/zinc/29/28/45/777292845.db2.gz CEWFXDZTZMJBDA-UHFFFAOYSA-N 1 0 305.466 2.405 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)ccc1O ZINC000693951370 777619320 /nfs/dbraw/zinc/61/93/20/777619320.db2.gz CSIQAFIFESPWOB-MNOVXSKESA-N 1 0 313.195 2.084 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001126245206 778630746 /nfs/dbraw/zinc/63/07/46/778630746.db2.gz ISGVMZVVEYYKJF-SOFGYWHQSA-N 1 0 313.401 2.251 20 10 DECDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C3CC3)C2)cc1C ZINC001090893000 790643359 /nfs/dbraw/zinc/64/33/59/790643359.db2.gz BADKYWJGHYJKOZ-UHFFFAOYSA-N 1 0 302.418 2.398 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001126442657 779053721 /nfs/dbraw/zinc/05/37/21/779053721.db2.gz RXAHQUVDNYLYGT-MRXNPFEDSA-N 1 0 320.433 2.026 20 10 DECDRO CN1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1c1ccccc1 ZINC001144508929 790940993 /nfs/dbraw/zinc/94/09/93/790940993.db2.gz DOKGYKFPMNZZOP-MRXNPFEDSA-N 1 0 314.385 2.292 20 10 DECDRO CCc1noc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)n1 ZINC001144514416 790941829 /nfs/dbraw/zinc/94/18/29/790941829.db2.gz CJOYHMFHIFGVPB-UHFFFAOYSA-N 1 0 319.361 2.128 20 10 DECDRO Oc1ccc(CNc2ccc(CN3CC[NH2+]CC3)cc2)cc1O ZINC001169995296 785831930 /nfs/dbraw/zinc/83/19/30/785831930.db2.gz XWPDSOAMMWPKHQ-UHFFFAOYSA-N 1 0 313.401 2.115 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CC[C@H](C)O2)cc1C ZINC001133325083 788362975 /nfs/dbraw/zinc/36/29/75/788362975.db2.gz ZBKXIQXSZGDRHI-GOEBONIOSA-N 1 0 320.433 2.167 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C2CC3(CC3)C2)cc1C ZINC001133648230 788536785 /nfs/dbraw/zinc/53/67/85/788536785.db2.gz OHBVJMZIVKINMC-UHFFFAOYSA-N 1 0 302.418 2.400 20 10 DECDRO CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC001135262575 789269868 /nfs/dbraw/zinc/26/98/68/789269868.db2.gz VIPLPTDGLMNWBM-UHFFFAOYSA-N 1 0 306.406 2.021 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+]C2CCC3(CCOCC3)CC2)cc1O ZINC001173035369 793562818 /nfs/dbraw/zinc/56/28/18/793562818.db2.gz FUZBIYOKLKENRA-QGZVFWFLSA-N 1 0 321.417 2.460 20 10 DECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691439480 794451226 /nfs/dbraw/zinc/45/12/26/794451226.db2.gz GAOYBUPYTGZENC-HUTHGQBESA-N 1 0 320.252 2.401 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001120591844 795493261 /nfs/dbraw/zinc/49/32/61/795493261.db2.gz KSCYTVXPKFAQMT-MRXNPFEDSA-N 1 0 302.422 2.039 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@H](CC[NH3+])C1)c1ccc(N(C)C)cc1 ZINC001120616552 795499170 /nfs/dbraw/zinc/49/91/70/795499170.db2.gz BOWDNYLPFHDZNL-KGLIPLIRSA-N 1 0 304.438 2.194 20 10 DECDRO CS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC001181788044 795539231 /nfs/dbraw/zinc/53/92/31/795539231.db2.gz WSFKCLBSZNTPJQ-UHFFFAOYSA-N 1 0 309.362 2.225 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c2ccccc2n1C ZINC001138252597 796188376 /nfs/dbraw/zinc/18/83/76/796188376.db2.gz MXZCFPWJKXEFQS-QZTJIDSGSA-N 1 0 302.418 2.052 20 10 DECDRO Cc1c(C[NH+]2CCC3(CNC(=O)N3)CC2)c2ccccc2n1C ZINC001138259093 796189682 /nfs/dbraw/zinc/18/96/82/796189682.db2.gz ARMVSAPWDQOBCR-UHFFFAOYSA-N 1 0 312.417 2.134 20 10 DECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337858 796199105 /nfs/dbraw/zinc/19/91/05/796199105.db2.gz DXVUSLINDIYCFO-DOMZBBRYSA-N 1 0 302.418 2.046 20 10 DECDRO COC[C@H]1CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341541 796200215 /nfs/dbraw/zinc/20/02/15/796200215.db2.gz RFPGXLGYKSPVCU-OAHLLOKOSA-N 1 0 302.418 2.312 20 10 DECDRO CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1COC1 ZINC001138339946 796200722 /nfs/dbraw/zinc/20/07/22/796200722.db2.gz NXMKUNSIRBZYLY-UHFFFAOYSA-N 1 0 302.418 2.312 20 10 DECDRO Cc1nc(CC[N@@H+](C)Cc2ccc3c(c2)CCCN3C)no1 ZINC001138354969 796204139 /nfs/dbraw/zinc/20/41/39/796204139.db2.gz XAOXUIUIMRUHGU-UHFFFAOYSA-N 1 0 300.406 2.435 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001138494674 796225991 /nfs/dbraw/zinc/22/59/91/796225991.db2.gz FJIGGWXRVQTBGR-UHFFFAOYSA-N 1 0 302.418 2.136 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@]1(C)O ZINC001138496480 796226758 /nfs/dbraw/zinc/22/67/58/796226758.db2.gz QWFUWMMXZRWUMS-QAPCUYQASA-N 1 0 304.434 2.116 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@]1(C)O ZINC001138496481 796227389 /nfs/dbraw/zinc/22/73/89/796227389.db2.gz QWFUWMMXZRWUMS-YJBOKZPZSA-N 1 0 304.434 2.116 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@@H]1O ZINC001138496469 796227725 /nfs/dbraw/zinc/22/77/25/796227725.db2.gz QMRRABPIDYAAGH-YJBOKZPZSA-N 1 0 304.434 2.116 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001139129676 796328609 /nfs/dbraw/zinc/32/86/09/796328609.db2.gz CGSLNODJRHMGCH-XHDPSFHLSA-N 1 0 301.342 2.028 20 10 DECDRO CCO[C@@H]1CC[N@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139258906 796350387 /nfs/dbraw/zinc/35/03/87/796350387.db2.gz AGJFWFQDSNTCTO-OAHLLOKOSA-N 1 0 308.422 2.073 20 10 DECDRO COc1cc(CN2CCOCC2(C)C)cc(C[NH+](C)C)c1O ZINC001139256436 796350399 /nfs/dbraw/zinc/35/03/99/796350399.db2.gz BDEJMRCMURPRKO-UHFFFAOYSA-N 1 0 308.422 2.073 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001140098877 796477473 /nfs/dbraw/zinc/47/74/73/796477473.db2.gz PZWDLZSJHZHEGK-ZYHUDNBSSA-N 1 0 304.159 2.059 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1O ZINC001140179708 796486592 /nfs/dbraw/zinc/48/65/92/796486592.db2.gz MWLAZBUACYAQHU-MRXNPFEDSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1CO ZINC001140282528 796501370 /nfs/dbraw/zinc/50/13/70/796501370.db2.gz CPBOQJNOQOFAFD-DNVCBOLYSA-N 1 0 318.461 2.241 20 10 DECDRO O=C1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140284673 796501770 /nfs/dbraw/zinc/50/17/70/796501770.db2.gz XFKHHQGZJVZOKQ-UHFFFAOYSA-N 1 0 302.418 2.203 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140342660 796510581 /nfs/dbraw/zinc/51/05/81/796510581.db2.gz SRNNJYWZGCLRNK-LLVKDONJSA-N 1 0 305.765 2.489 20 10 DECDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140585236 796541858 /nfs/dbraw/zinc/54/18/58/796541858.db2.gz AOYZIUUFUWMUQV-LLVKDONJSA-N 1 0 307.300 2.114 20 10 DECDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662324 796552041 /nfs/dbraw/zinc/55/20/41/796552041.db2.gz OHZKYNLXKWFJDW-UHFFFAOYSA-N 1 0 309.429 2.046 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@]1(C)O ZINC001140660600 796552564 /nfs/dbraw/zinc/55/25/64/796552564.db2.gz XNEKBFFHPCMPTM-RDTXWAMCSA-N 1 0 322.424 2.255 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1F)C1CC[NH+](C)CC1 ZINC001140662374 796552660 /nfs/dbraw/zinc/55/26/60/796552660.db2.gz RBMPJELNMCGLRS-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001140662595 796553182 /nfs/dbraw/zinc/55/31/82/796553182.db2.gz ZWFVPHKNHRJMFZ-UHFFFAOYSA-N 1 0 320.408 2.275 20 10 DECDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)cc1F ZINC001140663580 796553324 /nfs/dbraw/zinc/55/33/24/796553324.db2.gz JUFWTAXGVULKKM-UHFFFAOYSA-N 1 0 321.440 2.190 20 10 DECDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140662465 796553675 /nfs/dbraw/zinc/55/36/75/796553675.db2.gz VOIPENFLRSMUIA-MRXNPFEDSA-N 1 0 308.397 2.009 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC001140921585 796597879 /nfs/dbraw/zinc/59/78/79/796597879.db2.gz ISHLKDOCKBCOJH-INIZCTEOSA-N 1 0 323.868 2.313 20 10 DECDRO CCC[NH+]1C[C@@H]2CN(Cc3c(O)cc(OC)cc3OC)C[C@H]2C1 ZINC001141030934 796621383 /nfs/dbraw/zinc/62/13/83/796621383.db2.gz RFHZNWBQWKBRSB-ZIAGYGMSSA-N 1 0 320.433 2.183 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(OC)c1 ZINC001141030868 796621495 /nfs/dbraw/zinc/62/14/95/796621495.db2.gz OKHYXAHCZJUYPO-CYBMUJFWSA-N 1 0 306.406 2.078 20 10 DECDRO CCOCC[NH+](CCOCC)Cc1ccc2c(c1)OCCN2C ZINC001141144077 796638906 /nfs/dbraw/zinc/63/89/06/796638906.db2.gz VWXHNWJCUCGBBL-UHFFFAOYSA-N 1 0 322.449 2.390 20 10 DECDRO Oc1ccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141156470 796642168 /nfs/dbraw/zinc/64/21/68/796642168.db2.gz LKEGDVVYZPXZJP-UHFFFAOYSA-N 1 0 300.358 2.126 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC001141158846 796642271 /nfs/dbraw/zinc/64/22/71/796642271.db2.gz PAIKSHSJUHJGIV-AEFFLSMTSA-N 1 0 319.401 2.258 20 10 DECDRO Oc1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c1 ZINC001141162693 796643249 /nfs/dbraw/zinc/64/32/49/796643249.db2.gz ABAPHHSLQBHSGL-HOTGVXAUSA-N 1 0 308.397 2.496 20 10 DECDRO CC(C)(C)c1cccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c1O ZINC001143117019 796803133 /nfs/dbraw/zinc/80/31/33/796803133.db2.gz PGIQUDQAZXUOGD-UHFFFAOYSA-N 1 0 317.433 2.337 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1O ZINC001150543763 796952110 /nfs/dbraw/zinc/95/21/10/796952110.db2.gz SKQMHDKWZYLNPN-TZMCWYRMSA-N 1 0 306.406 2.137 20 10 DECDRO CC(C)COC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001193853233 797638811 /nfs/dbraw/zinc/63/88/11/797638811.db2.gz ZSWDNBONSUCMPO-UHFFFAOYSA-N 1 0 305.422 2.321 20 10 DECDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCC[C@H]1O ZINC001195359251 797887399 /nfs/dbraw/zinc/88/73/99/797887399.db2.gz UJVRFRYCUKANQB-DOTOQJQBSA-N 1 0 321.417 2.308 20 10 DECDRO CC[NH+](CC)CCCNC(=S)NCc1cccc(C)c1O ZINC001196712631 798094191 /nfs/dbraw/zinc/09/41/91/798094191.db2.gz UBQGNBZCAVBKTG-UHFFFAOYSA-N 1 0 309.479 2.397 20 10 DECDRO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001159495433 798572003 /nfs/dbraw/zinc/57/20/03/798572003.db2.gz WFYJPQBXZKUGAU-UHFFFAOYSA-N 1 0 300.358 2.341 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001200459770 798632942 /nfs/dbraw/zinc/63/29/42/798632942.db2.gz KFEWEFOWDPJNQF-AWEZNQCLSA-N 1 0 310.463 2.200 20 10 DECDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001200580692 798652966 /nfs/dbraw/zinc/65/29/66/798652966.db2.gz KBFQPCPXYOTWGM-SFHVURJKSA-N 1 0 323.456 2.074 20 10 DECDRO COc1cc2c(cc1Nc1ccc(N)cc1)NC(=O)[C@]21CC[NH2+]C1 ZINC001160361317 798679097 /nfs/dbraw/zinc/67/90/97/798679097.db2.gz FVYXEAHDZIMQJO-SFHVURJKSA-N 1 0 324.384 2.204 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H](C)CO2)cc1C ZINC001162851269 799189307 /nfs/dbraw/zinc/18/93/07/799189307.db2.gz NHMVMHCBROCAGP-DYVFJYSZSA-N 1 0 320.433 2.025 20 10 DECDRO Oc1ccccc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001203552372 800078510 /nfs/dbraw/zinc/07/85/10/800078510.db2.gz LIKVJJMFHCPTRO-GJZGRUSLSA-N 1 0 315.442 2.413 20 10 DECDRO CCOc1cccc(CN2CCO[C@@H](C[NH+](CC)CC)C2)c1O ZINC001203617117 800091529 /nfs/dbraw/zinc/09/15/29/800091529.db2.gz HUUQUGADIOBRFY-INIZCTEOSA-N 1 0 322.449 2.334 20 10 DECDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203622146 800092166 /nfs/dbraw/zinc/09/21/66/800092166.db2.gz QNUKHRBRDVQMDM-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO COc1ccc(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001203634395 800095197 /nfs/dbraw/zinc/09/51/97/800095197.db2.gz CYTBSWGFQAHJLR-HNNXBMFYSA-N 1 0 306.406 2.232 20 10 DECDRO C[NH+](C)CCCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203664163 800101899 /nfs/dbraw/zinc/10/18/99/800101899.db2.gz PIWMEGAGJBSTKT-UHFFFAOYSA-N 1 0 311.857 2.115 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001203930492 800148114 /nfs/dbraw/zinc/14/81/14/800148114.db2.gz VQQDXFLXUBDGHS-OCCSQVGLSA-N 1 0 302.340 2.355 20 10 DECDRO CN(C)c1cc(F)c(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC001204087792 800171753 /nfs/dbraw/zinc/17/17/53/800171753.db2.gz CHUNSIGZHXGXON-DETPVDSQSA-N 1 0 309.404 2.461 20 10 DECDRO c1cc(N2CCCC2)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001204323889 800204768 /nfs/dbraw/zinc/20/47/68/800204768.db2.gz JPIKMNWPSOTDQU-LJQANCHMSA-N 1 0 315.461 2.193 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2C[C@H]([NH3+])C[C@@H](O)C2)cc1Cl ZINC001204954925 800277742 /nfs/dbraw/zinc/27/77/42/800277742.db2.gz IKSLSUSSUDISPK-VXGBXAGGSA-N 1 0 312.841 2.237 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](O)C2)cc1Cl ZINC001204954923 800277881 /nfs/dbraw/zinc/27/78/81/800277881.db2.gz IKSLSUSSUDISPK-RYUDHWBXSA-N 1 0 312.841 2.237 20 10 DECDRO COc1ccc(N2CC[NH+](CCCC3OCCO3)CC2)c(C)c1 ZINC001209308963 801168216 /nfs/dbraw/zinc/16/82/16/801168216.db2.gz MBIDIEXAGCLERQ-UHFFFAOYSA-N 1 0 320.433 2.279 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001209516651 801205962 /nfs/dbraw/zinc/20/59/62/801205962.db2.gz KXKDMYQMWCAVQN-PKOBYXMFSA-N 1 0 314.429 2.269 20 10 DECDRO Cc1cccc(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)c1O ZINC001231591954 801690716 /nfs/dbraw/zinc/69/07/16/801690716.db2.gz MVVWHLSQXUHSOU-UHFFFAOYSA-N 1 0 324.384 2.492 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCS1 ZINC001231851041 801737031 /nfs/dbraw/zinc/73/70/31/801737031.db2.gz YBROSIANKRBRJE-OAHLLOKOSA-N 1 0 309.431 2.490 20 10 DECDRO COc1cc(O)c(CN2C[C@@H](F)C[C@H](CO)C2)cc1Cl ZINC001232266072 801833133 /nfs/dbraw/zinc/83/31/33/801833133.db2.gz IJDKZZZFIMMIAZ-ONGXEEELSA-N 1 0 303.761 2.207 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1Cl ZINC001232269741 801834678 /nfs/dbraw/zinc/83/46/78/801834678.db2.gz JIUGIJFYZOQZFR-LBPRGKRZSA-N 1 0 322.796 2.483 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCCC[C@H](O)C2)c2ccccc2n1C ZINC001232402376 801870909 /nfs/dbraw/zinc/87/09/09/801870909.db2.gz MGULZYQKDAFNBU-ZDUSSCGKSA-N 1 0 316.401 2.312 20 10 DECDRO CCOC(=O)c1c(C[N@H+](C)CC2COC2)c2ccccc2n1C ZINC001233272603 802059265 /nfs/dbraw/zinc/05/92/65/802059265.db2.gz RQLXFSVRMBKWSQ-UHFFFAOYSA-N 1 0 316.401 2.433 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]2CO)c2ccccc2n1C ZINC001233270570 802060364 /nfs/dbraw/zinc/06/03/64/802060364.db2.gz RUIFFYOJEBLFGS-CYBMUJFWSA-N 1 0 316.401 2.312 20 10 DECDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454076 802120769 /nfs/dbraw/zinc/12/07/69/802120769.db2.gz GBXHUYGAHSUNJB-NSHDSACASA-N 1 0 302.296 2.251 20 10 DECDRO COC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233455469 802121540 /nfs/dbraw/zinc/12/15/40/802121540.db2.gz LZMRGNQFYGDKRN-LBPRGKRZSA-N 1 0 305.296 2.258 20 10 DECDRO COc1ccc2c(c1O[C@@H]1C[NH2+][C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218387543 802176347 /nfs/dbraw/zinc/17/63/47/802176347.db2.gz QECDPNVZMYEUFY-MEBBXXQBSA-N 1 0 323.348 2.210 20 10 DECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)C2 ZINC001233949561 802250637 /nfs/dbraw/zinc/25/06/37/802250637.db2.gz KPPBDUKBPNYOOO-JGPRNRPPSA-N 1 0 301.346 2.045 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000195011863 802508626 /nfs/dbraw/zinc/50/86/26/802508626.db2.gz IJUBRQSUJDRSOR-UHFFFAOYSA-N 1 0 314.433 2.368 20 10 DECDRO COc1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cn1 ZINC001331581859 1149542885 /nfs/dbraw/zinc/54/28/85/1149542885.db2.gz IFMLUQINFQLITR-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001343916701 1150783710 /nfs/dbraw/zinc/78/37/10/1150783710.db2.gz WYCRWYMBUUIFTE-ZFWWWQNUSA-N 1 0 323.433 2.477 20 10 DECDRO CCC([NH3+])(CC)CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328678908 1148823205 /nfs/dbraw/zinc/82/32/05/1148823205.db2.gz ZARWNKHIHLSGGE-UHFFFAOYSA-N 1 0 322.472 2.185 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725223 1148828583 /nfs/dbraw/zinc/82/85/83/1148828583.db2.gz ALCOHVHYIOOWIF-DTWKUNHWSA-N 1 0 320.311 2.118 20 10 DECDRO C[C@@H]([NH2+]CCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC001605405243 1070704619 /nfs/dbraw/zinc/70/46/19/1070704619.db2.gz WQPLFXDXTUWWQA-GFCCVEGCSA-N 1 0 309.373 2.466 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc3n2CCC3)cc1 ZINC001328763996 1148832353 /nfs/dbraw/zinc/83/23/53/1148832353.db2.gz WYGYQTUDSWZPBQ-UHFFFAOYSA-N 1 0 314.433 2.406 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC001474455752 1060871965 /nfs/dbraw/zinc/87/19/65/1060871965.db2.gz HEVGJBCNFDPLLE-QGZVFWFLSA-N 1 0 303.450 2.408 20 10 DECDRO COc1cc(C)c(C[N@H+](C)CCN2CCOC(C)(C)C2)c(O)c1 ZINC001474487124 1060882030 /nfs/dbraw/zinc/88/20/30/1060882030.db2.gz GCSGFIOPDPLLDE-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001329174673 1148871624 /nfs/dbraw/zinc/87/16/24/1148871624.db2.gz YANDZAQDRHZBBD-CABCVRRESA-N 1 0 305.422 2.373 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2CCOCC2)cc1C ZINC001569041882 1065253850 /nfs/dbraw/zinc/25/38/50/1065253850.db2.gz IXZPYQKZJYSQQS-AWEZNQCLSA-N 1 0 320.433 2.025 20 10 DECDRO CC(C)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569099662 1065284235 /nfs/dbraw/zinc/28/42/35/1065284235.db2.gz GCPIBPDHKUBHMA-NSHDSACASA-N 1 0 305.382 2.213 20 10 DECDRO CC1CC[NH+](CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001625592759 1078248390 /nfs/dbraw/zinc/24/83/90/1078248390.db2.gz CCYAPUHCRFVNCC-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)OCCC(F)(F)F)cc1 ZINC001578424184 1067095771 /nfs/dbraw/zinc/09/57/71/1067095771.db2.gz AHVSHCCMHMQHGT-GFCCVEGCSA-N 1 0 319.327 2.431 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC001579589879 1067377788 /nfs/dbraw/zinc/37/77/88/1067377788.db2.gz PGGMHNIZYOBLEH-CHWSQXEVSA-N 1 0 313.401 2.372 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC001579616618 1067385162 /nfs/dbraw/zinc/38/51/62/1067385162.db2.gz CHUQCYIKJPXWIB-KBXCAEBGSA-N 1 0 318.465 2.043 20 10 DECDRO [NH3+]C1(C(=O)NCc2ccc3cccnc3c2O)CC2(CCC2)C1 ZINC001580139374 1067507967 /nfs/dbraw/zinc/50/79/67/1067507967.db2.gz OSKBJVFIICWRFR-UHFFFAOYSA-N 1 0 311.385 2.218 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)F)CC2)cc1C ZINC001670738232 1078571100 /nfs/dbraw/zinc/57/11/00/1078571100.db2.gz AELFMSHGQQTTTO-UHFFFAOYSA-N 1 0 308.397 2.490 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001521438098 1069241410 /nfs/dbraw/zinc/24/14/10/1069241410.db2.gz AOMRLRRWIPLPPH-IXDOHACOSA-N 1 0 301.434 2.005 20 10 DECDRO COc1cccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c1O ZINC001272625957 1079019151 /nfs/dbraw/zinc/01/91/51/1079019151.db2.gz QRXPHDMJQUKNMH-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC001649989876 1079342729 /nfs/dbraw/zinc/34/27/29/1079342729.db2.gz GGGFQSMFGOPYSH-SFHVURJKSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560618330 1075143176 /nfs/dbraw/zinc/14/31/76/1075143176.db2.gz PZFPAFFESYVFRN-INIZCTEOSA-N 1 0 315.417 2.185 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(C3OCCO3)CC2)c(O)c1 ZINC001560632656 1075143641 /nfs/dbraw/zinc/14/36/41/1075143641.db2.gz XPDGQLGHRGHQLX-UHFFFAOYSA-N 1 0 307.390 2.294 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(OC(=O)N(C)C)CC2)c(O)c1 ZINC001560854805 1075146698 /nfs/dbraw/zinc/14/66/98/1075146698.db2.gz XDAJNOWKPNIOFX-UHFFFAOYSA-N 1 0 322.405 2.372 20 10 DECDRO OC[C@]1([C@H]([NH2+]Cc2ccc(Cl)cc2O)C2CC2)CCCO1 ZINC001560855384 1075146718 /nfs/dbraw/zinc/14/67/18/1075146718.db2.gz XWCMOCJNZIHAAS-CVEARBPZSA-N 1 0 311.809 2.455 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC001560840819 1075147003 /nfs/dbraw/zinc/14/70/03/1075147003.db2.gz BPBSUNQYLXLGMV-KRWDZBQOSA-N 1 0 306.450 2.452 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1 ZINC001561017521 1075149318 /nfs/dbraw/zinc/14/93/18/1075149318.db2.gz AJXHAMHFEYKVDT-KRWDZBQOSA-N 1 0 309.406 2.383 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccccc1O ZINC001609194687 1077793303 /nfs/dbraw/zinc/79/33/03/1077793303.db2.gz LEBHEWJTYQUWEJ-AWEZNQCLSA-N 1 0 310.361 2.208 20 10 DECDRO C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001609778176 1077921778 /nfs/dbraw/zinc/92/17/78/1077921778.db2.gz NFDZELYLSOIITE-AAEUAGOBSA-N 1 0 304.390 2.416 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC001653069718 1079912095 /nfs/dbraw/zinc/91/20/95/1079912095.db2.gz RYVPPXSVNXBOPR-GDBMZVCRSA-N 1 0 323.458 2.382 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC001655709904 1080013784 /nfs/dbraw/zinc/01/37/84/1080013784.db2.gz ZMRXPVAQOCOCAB-MRXNPFEDSA-N 1 0 303.450 2.443 20 10 DECDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CC1CC1 ZINC001485232097 1080080393 /nfs/dbraw/zinc/08/03/93/1080080393.db2.gz OPYIEELKDFTLAP-WDEREUQCSA-N 1 0 317.393 2.355 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC001656527742 1080100050 /nfs/dbraw/zinc/10/00/50/1080100050.db2.gz VLJRLNNOFLPRGZ-CYBMUJFWSA-N 1 0 309.417 2.262 20 10 DECDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001656587925 1080104104 /nfs/dbraw/zinc/10/41/04/1080104104.db2.gz ZSRFEBJCWWDDBS-HNNXBMFYSA-N 1 0 310.413 2.303 20 10 DECDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001657078600 1080152260 /nfs/dbraw/zinc/15/22/60/1080152260.db2.gz LMGQRXGEHYESKA-CYBMUJFWSA-N 1 0 310.413 2.159 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)[C@H](CO)SC)ccc1OC ZINC001657263686 1080166941 /nfs/dbraw/zinc/16/69/41/1080166941.db2.gz HOXISCWPHNHODD-LRDDRELGSA-N 1 0 313.463 2.434 20 10 DECDRO C[NH+](C)CCN(Cc1cc(F)c(F)cc1O)C[C@@H]1CCCO1 ZINC001658006206 1080192488 /nfs/dbraw/zinc/19/24/88/1080192488.db2.gz LHBQSSJDWJZYEO-ZDUSSCGKSA-N 1 0 314.376 2.213 20 10 DECDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001658078230 1080195196 /nfs/dbraw/zinc/19/51/96/1080195196.db2.gz YXVWRDBQEPDVKM-DOMZBBRYSA-N 1 0 310.825 2.341 20 10 DECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC001658826944 1080220233 /nfs/dbraw/zinc/22/02/33/1080220233.db2.gz AOODAUCLHUCJBZ-CYBMUJFWSA-N 1 0 310.825 2.200 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC001659943980 1080257705 /nfs/dbraw/zinc/25/77/05/1080257705.db2.gz WBEOJFNVSSRWJV-MRXNPFEDSA-N 1 0 307.413 2.096 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1O ZINC001664600305 1080931318 /nfs/dbraw/zinc/93/13/18/1080931318.db2.gz BTCZQRMZPFADBQ-RNCFNFMXSA-N 1 0 300.196 2.357 20 10 DECDRO CC(=O)NCc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC001665223127 1081002134 /nfs/dbraw/zinc/00/21/34/1081002134.db2.gz JXLZZDVCRDFBLC-UHFFFAOYSA-N 1 0 302.349 2.457 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCO2)cc1C ZINC001482253232 1081405897 /nfs/dbraw/zinc/40/58/97/1081405897.db2.gz KMSMTFGPBGUHLW-RHSMWYFYSA-N 1 0 320.433 2.119 20 10 DECDRO CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001270194546 1081472601 /nfs/dbraw/zinc/47/26/01/1081472601.db2.gz TZZVXSLFBJWRGF-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO CCc1ccc(C[NH+]2CC3(CN(C(=O)NC(C)C)C3)C2)c(O)c1 ZINC001276805620 1083622458 /nfs/dbraw/zinc/62/24/58/1083622458.db2.gz YYDLDTYHHFBOTG-UHFFFAOYSA-N 1 0 317.433 2.190 20 10 DECDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)ccc1N(C)C ZINC001276928791 1083685281 /nfs/dbraw/zinc/68/52/81/1083685281.db2.gz ABEOKXIHTVFHGY-YQFWSFKMSA-N 1 0 301.434 2.051 20 10 DECDRO O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001277441766 1083970955 /nfs/dbraw/zinc/97/09/55/1083970955.db2.gz OUVPTGMYLDUFQR-YWVIFJGQSA-N 1 0 324.371 2.232 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)c(O)c1 ZINC001277453595 1083978716 /nfs/dbraw/zinc/97/87/16/1083978716.db2.gz CCYVDDOVFBVZEW-ACJLOTCBSA-N 1 0 318.417 2.280 20 10 DECDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@H]1c1ccccc1 ZINC001277656419 1084078074 /nfs/dbraw/zinc/07/80/74/1084078074.db2.gz BMBGLTLVENNYQF-WBVHZDCISA-N 1 0 312.369 2.146 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H]3C(=O)OCC3(C)C)cc2)CC1 ZINC001234657858 1084188997 /nfs/dbraw/zinc/18/89/97/1084188997.db2.gz KDCHSMKKQULHSW-INIZCTEOSA-N 1 0 318.417 2.159 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235051267 1084287694 /nfs/dbraw/zinc/28/76/94/1084287694.db2.gz HQFICQGEZJAODQ-HXUWFJFHSA-N 1 0 324.472 2.043 20 10 DECDRO Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)cc1Br ZINC001235053889 1084287969 /nfs/dbraw/zinc/28/79/69/1084287969.db2.gz LEVWVEKUNSMTFM-QWHCGFSZSA-N 1 0 311.223 2.399 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054365 1084291592 /nfs/dbraw/zinc/29/15/92/1084291592.db2.gz WURRSKINRFSIJK-FQEVSTJZSA-N 1 0 324.472 2.231 20 10 DECDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)cc(Br)c1[O-] ZINC001235303589 1084381474 /nfs/dbraw/zinc/38/14/74/1084381474.db2.gz OPNOUFKACFTEFP-QWRGUYRKSA-N 1 0 315.186 2.182 20 10 DECDRO CC(C)(C)c1ccc(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001235681426 1084495716 /nfs/dbraw/zinc/49/57/16/1084495716.db2.gz ABXPZQHQEGGQLK-UHFFFAOYSA-N 1 0 304.434 2.206 20 10 DECDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001235769845 1084521046 /nfs/dbraw/zinc/52/10/46/1084521046.db2.gz HXTPXFNIVGXUOK-KGLIPLIRSA-N 1 0 320.433 2.012 20 10 DECDRO CC[C@@H]1C[NH2+]CCN1Cc1cccc(OC(F)(F)F)c1O ZINC001235773472 1084524227 /nfs/dbraw/zinc/52/42/27/1084524227.db2.gz NOKHJEPPFQGECR-LLVKDONJSA-N 1 0 304.312 2.475 20 10 DECDRO CC[C@@H]1C[NH2+]CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001235773966 1084524573 /nfs/dbraw/zinc/52/45/73/1084524573.db2.gz PQOZSHGTXQLAJE-SNVBAGLBSA-N 1 0 304.312 2.475 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000702285712 1086422053 /nfs/dbraw/zinc/42/20/53/1086422053.db2.gz PDGRDTLSFZAHDD-GFCCVEGCSA-N 1 0 318.236 2.112 20 10 DECDRO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001081026165 1089285812 /nfs/dbraw/zinc/28/58/12/1089285812.db2.gz QOCVSHDUOBKWKF-BXUZGUMPSA-N 1 0 317.393 2.309 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c(O)c1 ZINC001274653918 1091353985 /nfs/dbraw/zinc/35/39/85/1091353985.db2.gz BFGKFROUZNMKGP-HNNXBMFYSA-N 1 0 302.418 2.303 20 10 DECDRO CN(C)c1ccc(CN2C[C@]3(CC2=O)CCCC[N@@H+]3C)cc1 ZINC001273526511 1091903059 /nfs/dbraw/zinc/90/30/59/1091903059.db2.gz GZYGJXZULSBMGA-GOSISDBHSA-N 1 0 301.434 2.339 20 10 DECDRO CN(C)c1ccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c(Cl)c1 ZINC001236165265 1138335938 /nfs/dbraw/zinc/33/59/38/1138335938.db2.gz KMKAOOBWOAMYCL-MRXNPFEDSA-N 1 0 323.868 2.095 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236751853 1138407078 /nfs/dbraw/zinc/40/70/78/1138407078.db2.gz LBGVMIDISWTJRP-AAEUAGOBSA-N 1 0 323.389 2.040 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)cc1OC ZINC001236749421 1138408579 /nfs/dbraw/zinc/40/85/79/1138408579.db2.gz HJAZCQKJYVWFKT-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO Oc1cc(C[N@H+]2CCC[C@@H](O)CC2)c(O)cc1Br ZINC001236767789 1138421013 /nfs/dbraw/zinc/42/10/13/1138421013.db2.gz NIDZJSFMLPGJAV-SNVBAGLBSA-N 1 0 316.195 2.207 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(CC)cc2O)CCS1 ZINC001236787693 1138428294 /nfs/dbraw/zinc/42/82/94/1138428294.db2.gz JXYCBJKZLGLMNM-OAHLLOKOSA-N 1 0 309.431 2.435 20 10 DECDRO CCc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c1 ZINC001236794276 1138430513 /nfs/dbraw/zinc/43/05/13/1138430513.db2.gz KJCUIGQVIHHCRU-UHFFFAOYSA-N 1 0 302.418 2.445 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236797909 1138432085 /nfs/dbraw/zinc/43/20/85/1138432085.db2.gz DXOJIDHLGWCHKK-LLVKDONJSA-N 1 0 319.232 2.461 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c(Cl)c1 ZINC001236808747 1138435354 /nfs/dbraw/zinc/43/53/54/1138435354.db2.gz RIAGTAQTEYPFJX-NSHDSACASA-N 1 0 312.797 2.107 20 10 DECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236810071 1138435450 /nfs/dbraw/zinc/43/54/50/1138435450.db2.gz BKFYKPIXPSAUIR-CYBMUJFWSA-N 1 0 307.390 2.484 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c1 ZINC001236813973 1138437855 /nfs/dbraw/zinc/43/78/55/1138437855.db2.gz NPZKAVXSGQUIEX-UHFFFAOYSA-N 1 0 318.417 2.200 20 10 DECDRO CC(C)OC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236943909 1138462993 /nfs/dbraw/zinc/46/29/93/1138462993.db2.gz XEGZXXJVTKHQQU-UHFFFAOYSA-N 1 0 321.440 2.187 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c(O)c1 ZINC001237043123 1138488246 /nfs/dbraw/zinc/48/82/46/1138488246.db2.gz NYXZNYSLZRNPJZ-GOSISDBHSA-N 1 0 318.417 2.378 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237050392 1138488835 /nfs/dbraw/zinc/48/88/35/1138488835.db2.gz AWNFKCZCEGHKHA-HNNXBMFYSA-N 1 0 307.390 2.280 20 10 DECDRO CCCNC(=O)COC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237495533 1138657043 /nfs/dbraw/zinc/65/70/43/1138657043.db2.gz QZFTZFQJFOQITC-UHFFFAOYSA-N 1 0 320.433 2.208 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(O)c(OC)c1 ZINC001237670321 1138745982 /nfs/dbraw/zinc/74/59/82/1138745982.db2.gz SQXTWLHOAPUTJW-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)c(OC)c1 ZINC001237675084 1138748032 /nfs/dbraw/zinc/74/80/32/1138748032.db2.gz SDLOQCPKERBAPB-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(O)c(OC)c1 ZINC001237682256 1138755059 /nfs/dbraw/zinc/75/50/59/1138755059.db2.gz WXALTOOCUIXFHV-AWEZNQCLSA-N 1 0 306.406 2.078 20 10 DECDRO C[N@H+](C1CN(Cc2cc(F)cc(Cl)c2[O-])C1)[C@H]1CCOC1 ZINC001237799164 1138790638 /nfs/dbraw/zinc/79/06/38/1138790638.db2.gz OQCOIWCPEDJLMS-LBPRGKRZSA-N 1 0 314.788 2.090 20 10 DECDRO Cc1cc(-c2cnc3ccn(C)c3c2)cnc1N1CC[NH2+]CC1 ZINC001239739839 1139100429 /nfs/dbraw/zinc/10/04/29/1139100429.db2.gz VEDQIPSIOPBHJA-UHFFFAOYSA-N 1 0 307.401 2.353 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1O ZINC001318835085 1140430893 /nfs/dbraw/zinc/43/08/93/1140430893.db2.gz BKQJHDCZZZQZBR-KGLIPLIRSA-N 1 0 321.421 2.073 20 10 DECDRO CCCOC[C@H](O)CNc1ccccc1OCC1CC[NH2+]CC1 ZINC001245973612 1140839763 /nfs/dbraw/zinc/83/97/63/1140839763.db2.gz RQZSSBGVKBNXFJ-MRXNPFEDSA-N 1 0 322.449 2.264 20 10 DECDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC001320752694 1140908166 /nfs/dbraw/zinc/90/81/66/1140908166.db2.gz RTLSPORYEPUXMU-CYBMUJFWSA-N 1 0 323.389 2.327 20 10 DECDRO C[C@H](CCCC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001321907759 1141363839 /nfs/dbraw/zinc/36/38/39/1141363839.db2.gz UPACZBBUKBQAJC-OAHLLOKOSA-N 1 0 319.449 2.171 20 10 DECDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249177864 1141857466 /nfs/dbraw/zinc/85/74/66/1141857466.db2.gz KRDAFABOSGTVJT-HNNXBMFYSA-N 1 0 307.390 2.109 20 10 DECDRO COC(=O)Cc1ccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c(O)c1 ZINC001249213899 1141859927 /nfs/dbraw/zinc/85/99/27/1141859927.db2.gz BPCRMTMMOUARST-INIZCTEOSA-N 1 0 320.433 2.022 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(O)c1 ZINC001249215106 1141860264 /nfs/dbraw/zinc/86/02/64/1141860264.db2.gz VZYILSCSWVATOA-OAHLLOKOSA-N 1 0 307.390 2.107 20 10 DECDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001324120224 1142010820 /nfs/dbraw/zinc/01/08/20/1142010820.db2.gz AYNSJPDPEJHJNI-UKRRQHHQSA-N 1 0 320.433 2.410 20 10 DECDRO CC(C)OC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC001252695252 1142808582 /nfs/dbraw/zinc/80/85/82/1142808582.db2.gz SUKLHJHXPZBGKA-GFCCVEGCSA-N 1 0 318.211 2.030 20 10 DECDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001253826936 1142965786 /nfs/dbraw/zinc/96/57/86/1142965786.db2.gz CCIYSJIJPQHLAC-INIZCTEOSA-N 1 0 313.397 2.499 20 10 DECDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCc2cc[nH]c(=O)c21 ZINC001342139053 1143796303 /nfs/dbraw/zinc/79/63/03/1143796303.db2.gz RRSBTRREZIGCRR-UHFFFAOYSA-N 1 0 309.369 2.026 20 10 DECDRO C[NH+](C)Cc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001304053425 1147344761 /nfs/dbraw/zinc/34/47/61/1147344761.db2.gz KTJVUDOIOWRUSM-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCCCN1CCO ZINC001308413754 1147472388 /nfs/dbraw/zinc/47/23/88/1147472388.db2.gz VWXCKHAXSUAAOH-MRXNPFEDSA-N 1 0 315.461 2.423 20 10 DECDRO CCOc1cccc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001324923748 1147858245 /nfs/dbraw/zinc/85/82/45/1147858245.db2.gz PPQUKBMEBMKHMU-UHFFFAOYSA-N 1 0 303.362 2.193 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC001325077743 1147873448 /nfs/dbraw/zinc/87/34/48/1147873448.db2.gz RUEHRWTVSZKKNS-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO CCN1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001326161243 1148048117 /nfs/dbraw/zinc/04/81/17/1148048117.db2.gz FGVFQHQTJJKEPP-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO CCN(Cc1cnn(C)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC000079409058 185169450 /nfs/dbraw/zinc/16/94/50/185169450.db2.gz QJIXEHVLXMZVEV-UHFFFAOYSA-N 1 0 305.353 2.490 20 10 DECDRO COCCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092362086 185313928 /nfs/dbraw/zinc/31/39/28/185313928.db2.gz BELDAPGGCXRMFN-UHFFFAOYSA-N 1 0 320.433 2.065 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000296021104 282290261 /nfs/dbraw/zinc/29/02/61/282290261.db2.gz MJFCDUMEAPOTNY-DZGCQCFKSA-N 1 0 307.413 2.416 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1C ZINC000074722193 355045365 /nfs/dbraw/zinc/04/53/65/355045365.db2.gz BUFLXMSGWBRWPR-UHFFFAOYSA-N 1 0 300.406 2.065 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000578980618 356901390 /nfs/dbraw/zinc/90/13/90/356901390.db2.gz OOAJEPKYCCCLKG-CQSZACIVSA-N 1 0 314.433 2.428 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000579606774 357003108 /nfs/dbraw/zinc/00/31/08/357003108.db2.gz MPKKSPGLPKBAIU-OAHLLOKOSA-N 1 0 317.433 2.372 20 10 DECDRO Cc1cccc2c1CCN2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592514887 357891073 /nfs/dbraw/zinc/89/10/73/357891073.db2.gz GXFGDXFBIFNFCW-ZDUSSCGKSA-N 1 0 310.401 2.231 20 10 DECDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595923461 358582084 /nfs/dbraw/zinc/58/20/84/358582084.db2.gz WBYMAEKQJYXASX-UHFFFAOYSA-N 1 0 323.352 2.443 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1 ZINC000273582556 130140471 /nfs/dbraw/zinc/14/04/71/130140471.db2.gz NBHIOGTUZMWPER-OBJOEFQTSA-N 1 0 323.389 2.023 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1 ZINC000273580562 130140547 /nfs/dbraw/zinc/14/05/47/130140547.db2.gz MOTMPTSGQQBLHL-GHMZBOCLSA-N 1 0 322.405 2.133 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000273609675 130143658 /nfs/dbraw/zinc/14/36/58/130143658.db2.gz VMPSPIWFTTUCLY-PSASIEDQSA-N 1 0 313.195 2.036 20 10 DECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273621725 130146688 /nfs/dbraw/zinc/14/66/88/130146688.db2.gz ZFVLBVMRKVJKHC-MWLCHTKSSA-N 1 0 318.211 2.203 20 10 DECDRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000274277828 130223726 /nfs/dbraw/zinc/22/37/26/130223726.db2.gz NIRADZJIIDXZDY-IBGZPJMESA-N 1 0 324.428 2.315 20 10 DECDRO COCCOCCOCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000274655279 130252332 /nfs/dbraw/zinc/25/23/32/130252332.db2.gz MFAPYKDUWOSYFJ-HNNXBMFYSA-N 1 0 311.422 2.421 20 10 DECDRO Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)n[nH]1 ZINC000275821736 130392345 /nfs/dbraw/zinc/39/23/45/130392345.db2.gz FSGMVNRFIATNKM-UHFFFAOYSA-N 1 0 312.417 2.412 20 10 DECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccccc1 ZINC000288549172 131330242 /nfs/dbraw/zinc/33/02/42/131330242.db2.gz LIJQTXXCTJEEOJ-DIFFPNOSSA-N 1 0 301.342 2.333 20 10 DECDRO CC[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+](C)C ZINC000298684600 132073476 /nfs/dbraw/zinc/07/34/76/132073476.db2.gz USTUFVITGBXGFW-HZPDHXFCSA-N 1 0 320.433 2.240 20 10 DECDRO CCCC[N@H+](CCOC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299375191 132101926 /nfs/dbraw/zinc/10/19/26/132101926.db2.gz SFGSIMBHZXTQLO-UHFFFAOYSA-N 1 0 321.465 2.117 20 10 DECDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000120280605 401984735 /nfs/dbraw/zinc/98/47/35/401984735.db2.gz GDPDEDVDMRCANN-CYBMUJFWSA-N 1 0 301.390 2.426 20 10 DECDRO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000121312280 402027484 /nfs/dbraw/zinc/02/74/84/402027484.db2.gz BVJUSROCFOGPOG-UHFFFAOYSA-N 1 0 316.401 2.241 20 10 DECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000152462260 402097007 /nfs/dbraw/zinc/09/70/07/402097007.db2.gz SGNSKCFUMNACLD-UFBFGSQYSA-N 1 0 320.252 2.357 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000155026548 402241750 /nfs/dbraw/zinc/24/17/50/402241750.db2.gz ZMVALMSIKYBFRR-CQSZACIVSA-N 1 0 307.413 2.369 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000155597635 402262453 /nfs/dbraw/zinc/26/24/53/402262453.db2.gz AOMZJQXRTQUROT-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000071792500 402277213 /nfs/dbraw/zinc/27/72/13/402277213.db2.gz MJPHOAXKZKUHBG-MRXNPFEDSA-N 1 0 317.410 2.336 20 10 DECDRO CC(C)C(=O)NCC[NH2+]Cc1cc(Br)ccc1O ZINC000226036213 402326066 /nfs/dbraw/zinc/32/60/66/402326066.db2.gz WPDLIOZUZYBNKZ-UHFFFAOYSA-N 1 0 315.211 2.017 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333782 402344801 /nfs/dbraw/zinc/34/48/01/402344801.db2.gz GISMNJLDANBDIY-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186203303 402410231 /nfs/dbraw/zinc/41/02/31/402410231.db2.gz JBLSPFWRDWNUGW-ONGXEEELSA-N 1 0 318.211 2.203 20 10 DECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000186593989 402445896 /nfs/dbraw/zinc/44/58/96/402445896.db2.gz IGOGJZSPVYFDFR-AEFFLSMTSA-N 1 0 305.418 2.277 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000164956929 402471429 /nfs/dbraw/zinc/47/14/29/402471429.db2.gz HQJUYWPJHPMILB-QGZVFWFLSA-N 1 0 303.450 2.438 20 10 DECDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(O)c2O)C1 ZINC000186943774 402472584 /nfs/dbraw/zinc/47/25/84/402472584.db2.gz CDKVBFLKBSBFFW-CYBMUJFWSA-N 1 0 306.406 2.340 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1O ZINC000179702268 402598069 /nfs/dbraw/zinc/59/80/69/402598069.db2.gz VXULKHIGRDKZQJ-MRXNPFEDSA-N 1 0 302.418 2.439 20 10 DECDRO CCOc1cccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1O ZINC000174640262 402750324 /nfs/dbraw/zinc/75/03/24/402750324.db2.gz JDGNAHAOOQGWEF-UHFFFAOYSA-N 1 0 315.435 2.094 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000183421690 402765711 /nfs/dbraw/zinc/76/57/11/402765711.db2.gz OMUYNRDVXOCOCM-ZIAGYGMSSA-N 1 0 320.433 2.410 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278332493 402863340 /nfs/dbraw/zinc/86/33/40/402863340.db2.gz ZIWQUWQCRWHRQW-ZDUSSCGKSA-N 1 0 323.393 2.225 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(NC(C)=O)nc2)c1 ZINC000278597356 402868661 /nfs/dbraw/zinc/86/86/61/402868661.db2.gz HNEUFSPRHXYEEZ-UHFFFAOYSA-N 1 0 315.373 2.434 20 10 DECDRO CN(C)c1ccc(CN2CCCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000278774602 402870537 /nfs/dbraw/zinc/87/05/37/402870537.db2.gz UYGANVMCKZVVHX-MRXNPFEDSA-N 1 0 310.463 2.152 20 10 DECDRO Cc1ccc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278785273 402870636 /nfs/dbraw/zinc/87/06/36/402870636.db2.gz VLEPWQZBNIRSKN-OAHLLOKOSA-N 1 0 304.434 2.386 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280565721 403013683 /nfs/dbraw/zinc/01/36/83/403013683.db2.gz VIZFMDFZFYYISG-OGHNNQOOSA-N 1 0 307.390 2.169 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1OC ZINC000280687103 403026737 /nfs/dbraw/zinc/02/67/37/403026737.db2.gz VKPZXWUGGUNLSG-PIGZYNQJSA-N 1 0 307.390 2.409 20 10 DECDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000281522099 403070783 /nfs/dbraw/zinc/07/07/83/403070783.db2.gz HUSMPMGGXNSCGQ-MWLCHTKSSA-N 1 0 318.211 2.203 20 10 DECDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000281605413 403074016 /nfs/dbraw/zinc/07/40/16/403074016.db2.gz MMKFRWODTUVWKN-MWLCHTKSSA-N 1 0 318.211 2.203 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](CC)[C@H]2CCNC2=O)cc1F ZINC000281660593 403079448 /nfs/dbraw/zinc/07/94/48/403079448.db2.gz CGBKQCYONFUGKH-INIZCTEOSA-N 1 0 307.413 2.382 20 10 DECDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268848298 403119605 /nfs/dbraw/zinc/11/96/05/403119605.db2.gz BGMROHJOGNZNMT-SUMWQHHRSA-N 1 0 310.413 2.330 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ncccn1 ZINC000269491709 403143262 /nfs/dbraw/zinc/14/32/62/403143262.db2.gz ZBMIYULHSQVBEE-ZDUSSCGKSA-N 1 0 314.389 2.421 20 10 DECDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000270565144 403201437 /nfs/dbraw/zinc/20/14/37/403201437.db2.gz WKZDJRVJKBBRMX-OAHLLOKOSA-N 1 0 318.417 2.164 20 10 DECDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(N2CCCC2)cc1 ZINC000292124650 403299285 /nfs/dbraw/zinc/29/92/85/403299285.db2.gz QVRAKZLDGGUDKW-INIZCTEOSA-N 1 0 301.434 2.435 20 10 DECDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000271162601 403271473 /nfs/dbraw/zinc/27/14/73/403271473.db2.gz YLDDEVZNFIPEGT-HUUCEWRRSA-N 1 0 320.433 2.064 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285416426 403291177 /nfs/dbraw/zinc/29/11/77/403291177.db2.gz GFENBPSISZSBML-CQSZACIVSA-N 1 0 318.339 2.053 20 10 DECDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)Cc1ccccc1 ZINC000293865754 403585388 /nfs/dbraw/zinc/58/53/88/403585388.db2.gz INFFYOZQICPRFX-OAHLLOKOSA-N 1 0 315.369 2.156 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000295045085 403741189 /nfs/dbraw/zinc/74/11/89/403741189.db2.gz FDXUJXZNMAVNEQ-SFHVURJKSA-N 1 0 319.493 2.469 20 10 DECDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000295051013 403743162 /nfs/dbraw/zinc/74/31/62/403743162.db2.gz FVDXGLDXSXVIHN-UHFFFAOYSA-N 1 0 315.410 2.224 20 10 DECDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000295074627 403751147 /nfs/dbraw/zinc/75/11/47/403751147.db2.gz POPHIJIQVYRLPP-OAHLLOKOSA-N 1 0 313.781 2.057 20 10 DECDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289684834 403993194 /nfs/dbraw/zinc/99/31/94/403993194.db2.gz OAFWLRKJEPJQOE-CYBMUJFWSA-N 1 0 320.389 2.002 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000289768737 403998255 /nfs/dbraw/zinc/99/82/55/403998255.db2.gz RFFUCWIIADTDKN-MRXNPFEDSA-N 1 0 317.433 2.470 20 10 DECDRO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000290035707 404017858 /nfs/dbraw/zinc/01/78/58/404017858.db2.gz WDMSPZTWGYZWDP-UHFFFAOYSA-N 1 0 314.433 2.217 20 10 DECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000290226142 404088302 /nfs/dbraw/zinc/08/83/02/404088302.db2.gz SHXGIALDFQYWJK-ZDUSSCGKSA-N 1 0 308.378 2.111 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(c3cccnn3)CC1)CC2 ZINC000296314661 404191500 /nfs/dbraw/zinc/19/15/00/404191500.db2.gz FLBSKZDQDWNMJV-OAHLLOKOSA-N 1 0 310.401 2.428 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CC2(COC)CCOCC2)c1 ZINC000291796376 404526374 /nfs/dbraw/zinc/52/63/74/404526374.db2.gz WRMVIEAEEJWIHL-UHFFFAOYSA-N 1 0 309.406 2.324 20 10 DECDRO c1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365829840 404727473 /nfs/dbraw/zinc/72/74/73/404727473.db2.gz CXVSVMKWTOKVTR-SFHVURJKSA-N 1 0 312.417 2.167 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)cc1F ZINC000359872952 404807596 /nfs/dbraw/zinc/80/75/96/404807596.db2.gz LBZRRTLNYVNOAJ-UHFFFAOYSA-N 1 0 306.381 2.421 20 10 DECDRO CC[N@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471741579 406115077 /nfs/dbraw/zinc/11/50/77/406115077.db2.gz NVFONDAEXLIQOS-UHFFFAOYSA-N 1 0 302.422 2.238 20 10 DECDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297404117 227119855 /nfs/dbraw/zinc/11/98/55/227119855.db2.gz SRVHRVREVWGNGS-RDJZCZTQSA-N 1 0 305.466 2.250 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414473 333208607 /nfs/dbraw/zinc/20/86/07/333208607.db2.gz YSSKSUGOTAHRMV-LSDHHAIUSA-N 1 0 322.449 2.288 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000315422326 337986902 /nfs/dbraw/zinc/98/69/02/337986902.db2.gz ISVSXBSKCRRFHB-DOMZBBRYSA-N 1 0 301.390 2.309 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000529665491 340767163 /nfs/dbraw/zinc/76/71/63/340767163.db2.gz YZNZMUZHEUBPNR-UHFFFAOYSA-N 1 0 304.434 2.387 20 10 DECDRO CC(=O)N1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835024965 649868203 /nfs/dbraw/zinc/86/82/03/649868203.db2.gz FANIUYQBNHPHQJ-XQRVVYSFSA-N 1 0 301.434 2.320 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418105351 533971155 /nfs/dbraw/zinc/97/11/55/533971155.db2.gz ZKYAZPCGMJTWDF-OCCSQVGLSA-N 1 0 314.433 2.426 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000369093643 534198466 /nfs/dbraw/zinc/19/84/66/534198466.db2.gz WSPRLRRENHPOEV-INIZCTEOSA-N 1 0 317.389 2.070 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCCCNC2=O)cc1 ZINC000835029394 649869167 /nfs/dbraw/zinc/86/91/67/649869167.db2.gz XKVWESYRRSTUDM-JTGQJZMRSA-N 1 0 301.434 2.366 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCOC[C@H]2CCOC2)cc1 ZINC000835035687 649869919 /nfs/dbraw/zinc/86/99/19/649869919.db2.gz DGMQDXACVUQQNP-LIMHQNJXSA-N 1 0 304.434 2.409 20 10 DECDRO CC(C)OCCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000265883482 519761958 /nfs/dbraw/zinc/76/19/58/519761958.db2.gz OXLBFPOZDBBOBC-UHFFFAOYSA-N 1 0 321.465 2.116 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](OCCOC)C2)c(O)c1 ZINC000188826060 520350906 /nfs/dbraw/zinc/35/09/06/520350906.db2.gz HFYGNBDKAZILNP-INIZCTEOSA-N 1 0 309.406 2.418 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000130077155 521337677 /nfs/dbraw/zinc/33/76/77/521337677.db2.gz AMDOWGKEUNVMEN-UHFFFAOYSA-N 1 0 307.390 2.376 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c1O ZINC000188114952 521343633 /nfs/dbraw/zinc/34/36/33/521343633.db2.gz KLYLBMWLQVHCPI-OCCSQVGLSA-N 1 0 307.390 2.422 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCCN2CCOCC2)C2CC2)cc1 ZINC000266546203 522172507 /nfs/dbraw/zinc/17/25/07/522172507.db2.gz RQEAGDJXIAAYEF-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000160227303 522773874 /nfs/dbraw/zinc/77/38/74/522773874.db2.gz YMTJUOYKNASFLK-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO CN1CCCc2cc(CNC(=O)c3ccc(C[NH3+])cc3)ccc21 ZINC000237129280 523861724 /nfs/dbraw/zinc/86/17/24/523861724.db2.gz BBWXCRVKZDRGFW-UHFFFAOYSA-N 1 0 309.413 2.458 20 10 DECDRO C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC[NH2+]1 ZINC000180990321 525209920 /nfs/dbraw/zinc/20/99/20/525209920.db2.gz CZSXNKZWLVOMQM-GOSISDBHSA-N 1 0 301.434 2.435 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000179902902 525568843 /nfs/dbraw/zinc/56/88/43/525568843.db2.gz SPWJOCOBSIPEDO-GXSJLCMTSA-N 1 0 302.296 2.206 20 10 DECDRO Cc1nccn1CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000162816768 527410446 /nfs/dbraw/zinc/41/04/46/527410446.db2.gz KZQKGDIFSOYBIE-UHFFFAOYSA-N 1 0 303.362 2.148 20 10 DECDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000835042871 649870941 /nfs/dbraw/zinc/87/09/41/649870941.db2.gz LCADAYOUIPZSOF-RBVSRTDUSA-N 1 0 303.450 2.075 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000835055814 649872888 /nfs/dbraw/zinc/87/28/88/649872888.db2.gz ZMJMRGDWKJYXTA-WSGSOLELSA-N 1 0 317.477 2.202 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835074706 649875865 /nfs/dbraw/zinc/87/58/65/649875865.db2.gz TVHQTVSKFXFARZ-HIFRSBDPSA-N 1 0 304.390 2.034 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000891254973 623801039 /nfs/dbraw/zinc/80/10/39/623801039.db2.gz LJXQCICJVJJGKR-IRXDYDNUSA-N 1 0 319.449 2.041 20 10 DECDRO CC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255722 623805534 /nfs/dbraw/zinc/80/55/34/623805534.db2.gz RIPSUVAROGCQRK-QGZVFWFLSA-N 1 0 319.449 2.231 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc[nH]c3)C2)cc1C ZINC001022123041 624206768 /nfs/dbraw/zinc/20/67/68/624206768.db2.gz DASKYNIVNYYDRK-IYBDPMFKSA-N 1 0 313.401 2.382 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891563311 624479554 /nfs/dbraw/zinc/47/95/54/624479554.db2.gz CTLBZNKQDVRCSM-IRXDYDNUSA-N 1 0 316.449 2.097 20 10 DECDRO COc1ccc(N2CCC(Nc3nc(N)cc(C)[nH+]3)CC2)cc1 ZINC000892270112 624913995 /nfs/dbraw/zinc/91/39/95/624913995.db2.gz WPFQUCXZEQOCHU-UHFFFAOYSA-N 1 0 313.405 2.457 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(O)c1O ZINC000177676870 625056030 /nfs/dbraw/zinc/05/60/30/625056030.db2.gz HXMOBARTHAGUDL-CYBMUJFWSA-N 1 0 306.406 2.256 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)[C@H]1OC ZINC000893043932 625074436 /nfs/dbraw/zinc/07/44/36/625074436.db2.gz BGAQUCNYCPKYFW-IJLUTSLNSA-N 1 0 302.465 2.407 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)c(O)c1 ZINC000725850895 625136850 /nfs/dbraw/zinc/13/68/50/625136850.db2.gz DPTKODSMGNIUGK-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccsc2)c(O)c1OC ZINC000892991806 625850584 /nfs/dbraw/zinc/85/05/84/625850584.db2.gz BGRCWGTZHOAJPR-GFCCVEGCSA-N 1 0 309.387 2.294 20 10 DECDRO CC[NH+](CC)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382281 650069969 /nfs/dbraw/zinc/06/99/69/650069969.db2.gz YZNCHTNOZYBSLC-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000836405836 650088059 /nfs/dbraw/zinc/08/80/59/650088059.db2.gz MKKQAFKHWPNGNI-UKPHBRMFSA-N 1 0 316.449 2.159 20 10 DECDRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027242732 633510976 /nfs/dbraw/zinc/51/09/76/633510976.db2.gz YJQLXXKJCFSLBP-LBPRGKRZSA-N 1 0 317.393 2.309 20 10 DECDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000893421724 633537964 /nfs/dbraw/zinc/53/79/64/633537964.db2.gz UUVURNVYUUJGMB-LLVKDONJSA-N 1 0 323.389 2.183 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(Cl)c1 ZINC000840942590 635087669 /nfs/dbraw/zinc/08/76/69/635087669.db2.gz IXRHHNCKEQPOBS-MFKMUULPSA-N 1 0 310.781 2.284 20 10 DECDRO CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001033632 635392363 /nfs/dbraw/zinc/39/23/63/635392363.db2.gz ZHVKBLRDEGELPK-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000893677662 635756898 /nfs/dbraw/zinc/75/68/98/635756898.db2.gz XDKNCSJHBSCHRQ-WCQYABFASA-N 1 0 323.389 2.183 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000922486234 636197416 /nfs/dbraw/zinc/19/74/16/636197416.db2.gz HHGYGNUUTKEFFX-YIEVGGLXSA-N 1 0 301.434 2.224 20 10 DECDRO CCN1CCC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000922639326 636290062 /nfs/dbraw/zinc/29/00/62/636290062.db2.gz NNKSNVNNRVHGPL-QQOXCAACSA-N 1 0 301.434 2.366 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000922728155 636361274 /nfs/dbraw/zinc/36/12/74/636361274.db2.gz LOCRDISUXPOODC-NXHRZFHOSA-N 1 0 304.434 2.426 20 10 DECDRO COc1ccc(CN(C)CCC[NH+]2CCCC2)c(O)c1OC ZINC000894230140 636509590 /nfs/dbraw/zinc/50/95/90/636509590.db2.gz AVDPAPXTQOOSKY-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC000894274150 636656248 /nfs/dbraw/zinc/65/62/48/636656248.db2.gz SZQJZYICRZFTIT-UKRRQHHQSA-N 1 0 320.433 2.446 20 10 DECDRO CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923416740 637161812 /nfs/dbraw/zinc/16/18/12/637161812.db2.gz YOUSSOZRMPPTOP-UHFFFAOYSA-N 1 0 303.450 2.097 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)c3nnc(C)[nH]3)CC2)cc1 ZINC000894773645 637200725 /nfs/dbraw/zinc/20/07/25/637200725.db2.gz YVWCLWMADPYEKA-GFCCVEGCSA-N 1 0 315.421 2.441 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894940044 637339925 /nfs/dbraw/zinc/33/99/25/637339925.db2.gz QIMCKNVGKPWNOV-QGZVFWFLSA-N 1 0 323.389 2.185 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000838911077 637696056 /nfs/dbraw/zinc/69/60/56/637696056.db2.gz ONJOZRSWWWSXBC-UHFFFAOYSA-N 1 0 324.428 2.480 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(Cl)c1 ZINC000840901657 650374382 /nfs/dbraw/zinc/37/43/82/650374382.db2.gz LZZDUWIINCGKBY-MISXGVKJSA-N 1 0 308.809 2.453 20 10 DECDRO COc1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c(O)c1OC ZINC000895321476 637925120 /nfs/dbraw/zinc/92/51/20/637925120.db2.gz QSPIBGASWCNPTN-KRWDZBQOSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000840917178 650379563 /nfs/dbraw/zinc/37/95/63/650379563.db2.gz HPNXJYNSLZLBTF-UHFFFAOYSA-N 1 0 301.434 2.163 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840955146 650394241 /nfs/dbraw/zinc/39/42/41/650394241.db2.gz SQUNCABGPAMGIB-UHFFFAOYSA-N 1 0 301.390 2.473 20 10 DECDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000895569404 638094561 /nfs/dbraw/zinc/09/45/61/638094561.db2.gz UEJXVRBPMWZBJP-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000840945523 650392324 /nfs/dbraw/zinc/39/23/24/650392324.db2.gz PLBYTAXHGILVPF-LLVKDONJSA-N 1 0 317.838 2.268 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677836 638140159 /nfs/dbraw/zinc/14/01/59/638140159.db2.gz PKOFTZPIXPDHIG-SECBINFHSA-N 1 0 303.202 2.179 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000840974881 650397560 /nfs/dbraw/zinc/39/75/60/650397560.db2.gz PKRSDNAUYIWLNM-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000895750242 638179191 /nfs/dbraw/zinc/17/91/91/638179191.db2.gz YIYMKCQTKDTFGR-CHWSQXEVSA-N 1 0 315.797 2.074 20 10 DECDRO OC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000840976384 650399043 /nfs/dbraw/zinc/39/90/43/650399043.db2.gz VOCDKUVKEPFFRW-IEBWSBKVSA-N 1 0 313.397 2.234 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000895840809 638220637 /nfs/dbraw/zinc/22/06/37/638220637.db2.gz KZBPULKILRLHQP-GFCCVEGCSA-N 1 0 311.813 2.329 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895843887 638221937 /nfs/dbraw/zinc/22/19/37/638221937.db2.gz JKFHWXSKDIMLEN-CYBMUJFWSA-N 1 0 305.296 2.148 20 10 DECDRO COc1ccc(N2CCN(C[C@H]([NH3+])CC(C)C)CC2)cc1F ZINC000841021223 650407561 /nfs/dbraw/zinc/40/75/61/650407561.db2.gz FFHTVYYUXJUOTN-CQSZACIVSA-N 1 0 309.429 2.330 20 10 DECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895948231 638274909 /nfs/dbraw/zinc/27/49/09/638274909.db2.gz NBAYJQOXIXXTHX-NSHDSACASA-N 1 0 323.389 2.040 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1 ZINC000896394788 638500967 /nfs/dbraw/zinc/50/09/67/638500967.db2.gz FVWFBDWVQCEJJA-RHSMWYFYSA-N 1 0 304.390 2.411 20 10 DECDRO COc1cc(O)c(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)cc1OC ZINC000896411233 638509194 /nfs/dbraw/zinc/50/91/94/638509194.db2.gz AUAGOEIIEWVMLN-DLBZAZTESA-N 1 0 323.389 2.185 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(OCC)ccc3O)C[C@@H]21 ZINC000896448288 638519016 /nfs/dbraw/zinc/51/90/16/638519016.db2.gz FWXMFFQATCZJTI-HLLBOEOZSA-N 1 0 319.401 2.422 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000896466209 638529623 /nfs/dbraw/zinc/52/96/23/638529623.db2.gz CILFOOQAOWYMKI-KRWDZBQOSA-N 1 0 304.390 2.411 20 10 DECDRO O=c1[nH]c2cccc(N3CC[NH+](Cc4ccccc4O)CC3)c2[nH]1 ZINC000896749377 638664049 /nfs/dbraw/zinc/66/40/49/638664049.db2.gz QDSLWXLGHHYVST-UHFFFAOYSA-N 1 0 324.384 2.296 20 10 DECDRO Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c(O)c1O ZINC000751529741 639091111 /nfs/dbraw/zinc/09/11/11/639091111.db2.gz FBNGOGHSPYDUDV-UHFFFAOYSA-N 1 0 306.406 2.401 20 10 DECDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841298488 650471390 /nfs/dbraw/zinc/47/13/90/650471390.db2.gz AKPUXIOIXUWJSZ-INIZCTEOSA-N 1 0 320.437 2.233 20 10 DECDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(N)cc1 ZINC000841298625 650471432 /nfs/dbraw/zinc/47/14/32/650471432.db2.gz CGJDPJGXOIHXPP-UHFFFAOYSA-N 1 0 302.378 2.458 20 10 DECDRO C[NH+](C)C1(CNC(=O)Nc2ccc(N)cc2)Cc2ccccc2C1 ZINC000841299633 650471596 /nfs/dbraw/zinc/47/15/96/650471596.db2.gz GNNZQEBQNRWCNJ-UHFFFAOYSA-N 1 0 324.428 2.490 20 10 DECDRO COC(=O)[C@]1(F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000751935204 639137934 /nfs/dbraw/zinc/13/79/34/639137934.db2.gz ABLSWEAXIPPPGD-INIZCTEOSA-N 1 0 304.321 2.027 20 10 DECDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000897173565 639220406 /nfs/dbraw/zinc/22/04/06/639220406.db2.gz XLBXPAAUHOGPSN-HNNXBMFYSA-N 1 0 321.417 2.154 20 10 DECDRO CCOC(=O)C1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000320610825 639359395 /nfs/dbraw/zinc/35/93/95/639359395.db2.gz ZYZBKDZHEHSSLI-UHFFFAOYSA-N 1 0 321.373 2.332 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000728792826 639388049 /nfs/dbraw/zinc/38/80/49/639388049.db2.gz OIRMFQMPXUHBGT-NSHDSACASA-N 1 0 323.462 2.020 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000756450898 639664008 /nfs/dbraw/zinc/66/40/08/639664008.db2.gz VFKLCPROFAWADP-QGZVFWFLSA-N 1 0 314.433 2.498 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000756529280 639669634 /nfs/dbraw/zinc/66/96/34/639669634.db2.gz RJNRYZYMRXDAPE-VXGBXAGGSA-N 1 0 308.378 2.282 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000841656283 650531082 /nfs/dbraw/zinc/53/10/82/650531082.db2.gz ZFZOGYRFAUSYQH-GDBMZVCRSA-N 1 0 304.438 2.021 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000757658652 639866043 /nfs/dbraw/zinc/86/60/43/639866043.db2.gz YXAAWKCUAOPDSA-WCQYABFASA-N 1 0 313.419 2.019 20 10 DECDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729040846 639954590 /nfs/dbraw/zinc/95/45/90/639954590.db2.gz IWVRHZOIOSTBQU-CYBMUJFWSA-N 1 0 323.437 2.493 20 10 DECDRO [NH3+]C1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000841710477 650547012 /nfs/dbraw/zinc/54/70/12/650547012.db2.gz WMSGFYVFGUECHB-UHFFFAOYSA-N 1 0 316.449 2.356 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000841759385 650558649 /nfs/dbraw/zinc/55/86/49/650558649.db2.gz FMLYJTATFAXXRE-KRWDZBQOSA-N 1 0 322.428 2.081 20 10 DECDRO C[NH2+]CCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000841757481 650557897 /nfs/dbraw/zinc/55/78/97/650557897.db2.gz HRLZFRBXBKNBMB-UHFFFAOYSA-N 1 0 318.465 2.474 20 10 DECDRO C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000841761735 650558754 /nfs/dbraw/zinc/55/87/54/650558754.db2.gz SDHXIAVMSUGEEJ-JSGCOSHPSA-N 1 0 322.428 2.079 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)C2CCC([NH3+])CC2)cc1F ZINC000841762000 650559422 /nfs/dbraw/zinc/55/94/22/650559422.db2.gz SWWZJQWIIBAQCR-UHFFFAOYSA-N 1 0 322.428 2.303 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000897432734 640224420 /nfs/dbraw/zinc/22/44/20/640224420.db2.gz MLGSALCNYVPALS-OLZOCXBDSA-N 1 0 321.421 2.103 20 10 DECDRO CCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000760840542 640233998 /nfs/dbraw/zinc/23/39/98/640233998.db2.gz IAQYWOANPZHNOX-AWEZNQCLSA-N 1 0 311.447 2.429 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C3CC3)C2)cc1C ZINC000987713646 640266809 /nfs/dbraw/zinc/26/68/09/640266809.db2.gz KDAUORMDJUAHSH-CZUORRHYSA-N 1 0 302.418 2.493 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000841855539 650581635 /nfs/dbraw/zinc/58/16/35/650581635.db2.gz ASQGWKAXVAUOBF-NSHDSACASA-N 1 0 314.480 2.019 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841880532 650591315 /nfs/dbraw/zinc/59/13/15/650591315.db2.gz BVZMLQZWDKWOGV-ZFWWWQNUSA-N 1 0 306.454 2.486 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881955 650592109 /nfs/dbraw/zinc/59/21/09/650592109.db2.gz FSORKODNOXFSEC-DZGCQCFKSA-N 1 0 304.438 2.255 20 10 DECDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882030 650592323 /nfs/dbraw/zinc/59/23/23/650592323.db2.gz GSMQOEGCXQWUMM-CJNGLKHVSA-N 1 0 304.438 2.207 20 10 DECDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841884230 650593637 /nfs/dbraw/zinc/59/36/37/650593637.db2.gz YYQUNEWVLDPSIA-HUUCEWRRSA-N 1 0 318.465 2.455 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1 ZINC000841890223 650594458 /nfs/dbraw/zinc/59/44/58/650594458.db2.gz LQELNERSGLYJNO-UHFFFAOYSA-N 1 0 306.450 2.410 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841923468 650603353 /nfs/dbraw/zinc/60/33/53/650603353.db2.gz HNDOQQFWIHBOAO-CQSZACIVSA-N 1 0 305.422 2.313 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765283244 640761330 /nfs/dbraw/zinc/76/13/30/640761330.db2.gz ZVLAONIAFSUDOZ-ZBFHGGJFSA-N 1 0 321.440 2.407 20 10 DECDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765335202 640767934 /nfs/dbraw/zinc/76/79/34/640767934.db2.gz STJXAUMTSOWNTP-OAHLLOKOSA-N 1 0 319.449 2.042 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841939996 650607230 /nfs/dbraw/zinc/60/72/30/650607230.db2.gz WQUUEWPEWYXVDP-INIZCTEOSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-n2cnnn2)cc1 ZINC000765610668 640800696 /nfs/dbraw/zinc/80/06/96/640800696.db2.gz WUWFRVYYTVUMIR-ZDUSSCGKSA-N 1 0 321.384 2.448 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841950531 650609555 /nfs/dbraw/zinc/60/95/55/650609555.db2.gz UCSUPERDRLJRFT-SLEUVZQESA-N 1 0 321.421 2.279 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000897592321 640832638 /nfs/dbraw/zinc/83/26/38/640832638.db2.gz UNNKTVJAQBPCLB-UHFFFAOYSA-N 1 0 320.389 2.208 20 10 DECDRO COc1cccc(O)c1C[NH2+]CCOCC(F)(F)C(F)F ZINC000766225448 640861008 /nfs/dbraw/zinc/86/10/08/640861008.db2.gz QGTDLBYUBPULEI-UHFFFAOYSA-N 1 0 311.275 2.407 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841965886 650615397 /nfs/dbraw/zinc/61/53/97/650615397.db2.gz LFFWTIJDRWTJQV-MRXNPFEDSA-N 1 0 304.438 2.021 20 10 DECDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000766489673 640888199 /nfs/dbraw/zinc/88/81/99/640888199.db2.gz PNRZHDUUOKVNQG-KRWDZBQOSA-N 1 0 301.361 2.454 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000897683449 640902633 /nfs/dbraw/zinc/90/26/33/640902633.db2.gz DOSCINLFCZMXER-SUMWQHHRSA-N 1 0 319.405 2.398 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841980950 650618883 /nfs/dbraw/zinc/61/88/83/650618883.db2.gz MNADSEYVGQVIMN-SRVKXCTJSA-N 1 0 307.394 2.031 20 10 DECDRO O=C(NCc1ccccc1O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841992803 650621988 /nfs/dbraw/zinc/62/19/88/650621988.db2.gz YBDVYSWUNMFGSG-MRXNPFEDSA-N 1 0 311.385 2.078 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000841996215 650622152 /nfs/dbraw/zinc/62/21/52/650622152.db2.gz RVIQWQIVPMRGBS-NEPJUHHUSA-N 1 0 309.410 2.279 20 10 DECDRO Cn1cc([C@@]2(C[NH2+]Cc3cc(F)ccc3O)CCCO2)cn1 ZINC000898056867 641011456 /nfs/dbraw/zinc/01/14/56/641011456.db2.gz PIYGBIMUIBDYFU-INIZCTEOSA-N 1 0 305.353 2.060 20 10 DECDRO COc1ccc(O)c(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000898141767 641034651 /nfs/dbraw/zinc/03/46/51/641034651.db2.gz CXHMRXMBKFMMKW-DNVCBOLYSA-N 1 0 313.397 2.436 20 10 DECDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000842009520 650627222 /nfs/dbraw/zinc/62/72/22/650627222.db2.gz BTMZVYQQIHNNSN-OCCSQVGLSA-N 1 0 317.433 2.198 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842010555 650627550 /nfs/dbraw/zinc/62/75/50/650627550.db2.gz MPVVABVCXQMNGZ-JKSUJKDBSA-N 1 0 318.465 2.412 20 10 DECDRO CCOc1cccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000768193256 641058026 /nfs/dbraw/zinc/05/80/26/641058026.db2.gz YYWGAFUNSLSTMG-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](CCOC)CC2)cc1F ZINC000768220049 641059666 /nfs/dbraw/zinc/05/96/66/641059666.db2.gz NALMXZVEGQJIRS-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440080 641081010 /nfs/dbraw/zinc/08/10/10/641081010.db2.gz CVKKTBIURSPSIT-CQSZACIVSA-N 1 0 320.776 2.498 20 10 DECDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464126 641084484 /nfs/dbraw/zinc/08/44/84/641084484.db2.gz NMXFUGDQHCHVQS-CZUORRHYSA-N 1 0 307.390 2.065 20 10 DECDRO CCCC(=O)NC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000768883720 641139857 /nfs/dbraw/zinc/13/98/57/641139857.db2.gz YUJPRFZKNIWRCM-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769409026 641234574 /nfs/dbraw/zinc/23/45/74/641234574.db2.gz AKPUJHDADFVREB-CYBMUJFWSA-N 1 0 307.390 2.219 20 10 DECDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769457049 641242147 /nfs/dbraw/zinc/24/21/47/641242147.db2.gz NIKBNMJIOUNLTC-CQSZACIVSA-N 1 0 308.397 2.273 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769467413 641244805 /nfs/dbraw/zinc/24/48/05/641244805.db2.gz TWGGROCPEPMSHP-IRXDYDNUSA-N 1 0 317.477 2.438 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838077 641246606 /nfs/dbraw/zinc/24/66/06/641246606.db2.gz JNYCHDVOOGNUOS-ZWNOBZJWSA-N 1 0 321.356 2.011 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838075 641246720 /nfs/dbraw/zinc/24/67/20/641246720.db2.gz JNYCHDVOOGNUOS-GXFFZTMASA-N 1 0 321.356 2.011 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c(O)c1 ZINC000771938239 641574870 /nfs/dbraw/zinc/57/48/70/641574870.db2.gz HYNAPZRUMQGRIJ-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451853 641662124 /nfs/dbraw/zinc/66/21/24/641662124.db2.gz PGOXOQAJTFBUAB-KRWDZBQOSA-N 1 0 301.438 2.177 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c(O)c1C ZINC000927143774 641763618 /nfs/dbraw/zinc/76/36/18/641763618.db2.gz HBEWNVUTXBTIJP-QWHCGFSZSA-N 1 0 300.406 2.346 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000773367573 641764704 /nfs/dbraw/zinc/76/47/04/641764704.db2.gz LMDTYMYOCXRGOL-XJKSGUPXSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC[NH+]1CCCC1 ZINC000773747709 641819334 /nfs/dbraw/zinc/81/93/34/641819334.db2.gz FMBSYTYHCQDUNU-CQSZACIVSA-N 1 0 320.433 2.411 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000773753319 641819761 /nfs/dbraw/zinc/81/97/61/641819761.db2.gz GPTNNJMRTBDTNE-GOSISDBHSA-N 1 0 317.477 2.297 20 10 DECDRO CCN(C)c1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1 ZINC000773806062 641825292 /nfs/dbraw/zinc/82/52/92/641825292.db2.gz UPRVMVNDGWYOKA-QGZVFWFLSA-N 1 0 303.450 2.443 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCCF)[NH+](C)C)cc1 ZINC000899097693 641931146 /nfs/dbraw/zinc/93/11/46/641931146.db2.gz FKBQBUICPOYRIS-INIZCTEOSA-N 1 0 324.444 2.356 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](F)C2)[NH+](C)C)cc1 ZINC000899099117 641940210 /nfs/dbraw/zinc/94/02/10/641940210.db2.gz VQMLJHPHRLWGEF-GOEBONIOSA-N 1 0 322.428 2.109 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CC2CC2)[NH+](C)C)cc1 ZINC000899100633 641942017 /nfs/dbraw/zinc/94/20/17/641942017.db2.gz BLSJYHPXSURPQY-KRWDZBQOSA-N 1 0 318.465 2.407 20 10 DECDRO CCOC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257991 642022511 /nfs/dbraw/zinc/02/25/11/642022511.db2.gz NYIASANYIWMYJA-CQSZACIVSA-N 1 0 306.406 2.127 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]CC2(O)CCC2)c1O ZINC000776174751 642138969 /nfs/dbraw/zinc/13/89/69/642138969.db2.gz FXNKRHONQWPFCC-UHFFFAOYSA-N 1 0 300.196 2.468 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OCC3CC3)C1)[C@H](O)CO2 ZINC000777554800 642280429 /nfs/dbraw/zinc/28/04/29/642280429.db2.gz JBSGIIOYDISLBF-WMLDXEAASA-N 1 0 319.401 2.209 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000779192143 642470570 /nfs/dbraw/zinc/47/05/70/642470570.db2.gz GGZPOZHIZYIQGG-LJQANCHMSA-N 1 0 324.380 2.497 20 10 DECDRO COc1cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(O)cc1C ZINC000780473134 642629734 /nfs/dbraw/zinc/62/97/34/642629734.db2.gz YWMNMWPGCGZZFF-UHFFFAOYSA-N 1 0 318.417 2.154 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C ZINC000780951552 642694403 /nfs/dbraw/zinc/69/44/03/642694403.db2.gz ZBHVBRFKCLBWPE-STQMWFEESA-N 1 0 306.406 2.351 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1)[C@@H](O)CO2 ZINC000781150517 642719629 /nfs/dbraw/zinc/71/96/29/642719629.db2.gz DWFMSEJKTDMQDL-MFKMUULPSA-N 1 0 315.316 2.022 20 10 DECDRO C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1O)OC[C@H]3O)CCOCC2 ZINC000842637740 650791724 /nfs/dbraw/zinc/79/17/24/650791724.db2.gz DQTPEABOKGXTLB-BLLLJJGKSA-N 1 0 319.401 2.209 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCON)c1O ZINC000902426391 643035115 /nfs/dbraw/zinc/03/51/15/643035115.db2.gz SBEFKXONAKUJOX-SECBINFHSA-N 1 0 303.200 2.394 20 10 DECDRO CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000783729408 643043681 /nfs/dbraw/zinc/04/36/81/643043681.db2.gz YGVGDTZYIUANFA-MRXNPFEDSA-N 1 0 307.413 2.238 20 10 DECDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582416 643251522 /nfs/dbraw/zinc/25/15/22/643251522.db2.gz ZTBRZQXFGQLTCT-GTNSWQLSSA-N 1 0 301.342 2.333 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447701 643354921 /nfs/dbraw/zinc/35/49/21/643354921.db2.gz BMIYUWQZNZMYCQ-KBXCAEBGSA-N 1 0 315.465 2.440 20 10 DECDRO COc1cc(O)c(C[NH2+]CC[C@H](OC)C(F)(F)F)cc1OC ZINC000787418750 643492360 /nfs/dbraw/zinc/49/23/60/643492360.db2.gz YFIZUGINSUNWAG-ZDUSSCGKSA-N 1 0 323.311 2.466 20 10 DECDRO Oc1ccc(Br)cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421157 643669319 /nfs/dbraw/zinc/66/93/19/643669319.db2.gz QLUMTHPGOJXNAE-CMPLNLGQSA-N 1 0 311.223 2.196 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1(O)CCCC1 ZINC000905036846 643765678 /nfs/dbraw/zinc/76/56/78/643765678.db2.gz VRVRPOPCSPONOP-GOSISDBHSA-N 1 0 318.461 2.433 20 10 DECDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000790486703 643857604 /nfs/dbraw/zinc/85/76/04/643857604.db2.gz ZLDRIQCKOUMUBH-INIZCTEOSA-N 1 0 306.406 2.331 20 10 DECDRO Oc1cc2c(cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)OCO2 ZINC000843048073 650877181 /nfs/dbraw/zinc/87/71/81/650877181.db2.gz MHCQHANBQHHKEQ-KGLIPLIRSA-N 1 0 304.390 2.227 20 10 DECDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843057962 650879154 /nfs/dbraw/zinc/87/91/54/650879154.db2.gz JABIDQMYWDTOFH-INIZCTEOSA-N 1 0 321.440 2.236 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c1O ZINC000905684562 644005233 /nfs/dbraw/zinc/00/52/33/644005233.db2.gz AFRZPQLSPIMCJJ-LBPRGKRZSA-N 1 0 303.362 2.390 20 10 DECDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)c(O)c1 ZINC000792788388 644152941 /nfs/dbraw/zinc/15/29/41/644152941.db2.gz CLBKDWYQWMJOQZ-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000793007092 644179594 /nfs/dbraw/zinc/17/95/94/644179594.db2.gz CSEVLCVOAQPFMK-ZIAGYGMSSA-N 1 0 321.421 2.073 20 10 DECDRO [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC12CCOCC2 ZINC000843124473 650900933 /nfs/dbraw/zinc/90/09/33/650900933.db2.gz BDYFFIANXRXPDW-ZDUSSCGKSA-N 1 0 310.825 2.233 20 10 DECDRO COc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000794383469 644407412 /nfs/dbraw/zinc/40/74/12/644407412.db2.gz 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CN(C)c1ccc(/C=C\C[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000818226367 647436722 /nfs/dbraw/zinc/43/67/22/647436722.db2.gz POPNRLZURPMHCM-SREVYHEPSA-N 1 0 310.463 2.180 20 10 DECDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000731678400 647501517 /nfs/dbraw/zinc/50/15/17/647501517.db2.gz LWERYIQOQCSHBR-INIZCTEOSA-N 1 0 314.341 2.353 20 10 DECDRO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000731861910 647514660 /nfs/dbraw/zinc/51/46/60/647514660.db2.gz SGVACHOAZHVQGQ-CYBMUJFWSA-N 1 0 302.399 2.458 20 10 DECDRO CCOCC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000819002709 647562316 /nfs/dbraw/zinc/56/23/16/647562316.db2.gz OCCOCNOMZOGGHR-QGZVFWFLSA-N 1 0 322.449 2.041 20 10 DECDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994496208 647970787 /nfs/dbraw/zinc/97/07/87/647970787.db2.gz OVGLSVNMHDMOMF-SMDDNHRTSA-N 1 0 317.393 2.452 20 10 DECDRO Oc1ccccc1C[N@H+](CCO[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000929973107 647992287 /nfs/dbraw/zinc/99/22/87/647992287.db2.gz 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/nfs/dbraw/zinc/61/48/52/648614852.db2.gz FITVVFIWRRVIEU-SFHVURJKSA-N 1 0 304.434 2.382 20 10 DECDRO C[C@@](CO)([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000825436478 648761514 /nfs/dbraw/zinc/76/15/14/648761514.db2.gz UXLUOMCOBVAVGX-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)cc1Cl ZINC000825498039 648770956 /nfs/dbraw/zinc/77/09/56/648770956.db2.gz SHDFGMZPARIUBE-UHFFFAOYSA-N 1 0 310.781 2.428 20 10 DECDRO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCNC1=O ZINC000825774557 648810784 /nfs/dbraw/zinc/81/07/84/648810784.db2.gz YJDFKDDZBYAMKY-HNNXBMFYSA-N 1 0 320.433 2.409 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826781041 648926072 /nfs/dbraw/zinc/92/60/72/648926072.db2.gz SNRGAQJAPMJANV-UHFFFAOYSA-N 1 0 302.374 2.161 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000826845517 648935417 /nfs/dbraw/zinc/93/54/17/648935417.db2.gz JZJUVOSYLXBPFX-MPGHIAIKSA-N 1 0 302.418 2.431 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1OC ZINC000826866453 648939410 /nfs/dbraw/zinc/93/94/10/648939410.db2.gz AXUSFAPFUDDBGQ-ZDUSSCGKSA-N 1 0 308.422 2.372 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)[C@H]1O ZINC000827151835 648982708 /nfs/dbraw/zinc/98/27/08/648982708.db2.gz KPWFFCRAVPMXPW-UOIKSKOESA-N 1 0 322.424 2.111 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000827164756 648984753 /nfs/dbraw/zinc/98/47/53/648984753.db2.gz MMIMEBHTVSBTHD-UKRRQHHQSA-N 1 0 310.463 2.116 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827173290 648986577 /nfs/dbraw/zinc/98/65/77/648986577.db2.gz WEYVXRKNDQUYBM-GXFFZTMASA-N 1 0 317.838 2.409 20 10 DECDRO CN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC000827359460 649022901 /nfs/dbraw/zinc/02/29/01/649022901.db2.gz OEEASMUYMLTRBT-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000827459036 649037422 /nfs/dbraw/zinc/03/74/22/649037422.db2.gz RAXCHMDJJNJSIM-OAHLLOKOSA-N 1 0 319.449 2.122 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)ccc1OC ZINC000827812750 649089178 /nfs/dbraw/zinc/08/91/78/649089178.db2.gz WXRRFECDYZZGMR-CTYIDZIISA-N 1 0 307.390 2.273 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000829159798 649279534 /nfs/dbraw/zinc/27/95/34/649279534.db2.gz XVCCCHCONIFAJS-MJGOQNOKSA-N 1 0 318.461 2.160 20 10 DECDRO [NH3+]Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 ZINC000830597838 649465769 /nfs/dbraw/zinc/46/57/69/649465769.db2.gz UCRMYWKJXQZQHA-UHFFFAOYSA-N 1 0 300.358 2.253 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1N(C)C ZINC000830823587 649501565 /nfs/dbraw/zinc/50/15/65/649501565.db2.gz QGSBSXZNKDXNOH-LMMKCTJWSA-N 1 0 318.461 2.423 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831753119 649638450 /nfs/dbraw/zinc/63/84/50/649638450.db2.gz IMCVXQGZDUGPPD-KBXCAEBGSA-N 1 0 319.449 2.155 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC23CCCC3)cc1 ZINC000832267455 649690453 /nfs/dbraw/zinc/69/04/53/649690453.db2.gz SJNOTVJNMDGPFB-CVEARBPZSA-N 1 0 301.434 2.449 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000832280263 649691934 /nfs/dbraw/zinc/69/19/34/649691934.db2.gz OFGPPVVOPLEZIB-QGZVFWFLSA-N 1 0 312.417 2.194 20 10 DECDRO C[C@H](CO)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000846058196 651304888 /nfs/dbraw/zinc/30/48/88/651304888.db2.gz NPTRATDLLPFVCT-MRXNPFEDSA-N 1 0 318.461 2.364 20 10 DECDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846147086 651311002 /nfs/dbraw/zinc/31/10/02/651311002.db2.gz SMIFHAUGFJUFEO-ZIAGYGMSSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000846173017 651313100 /nfs/dbraw/zinc/31/31/00/651313100.db2.gz PIHNHHHNNBQOIA-QWRGUYRKSA-N 1 0 300.349 2.391 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000846189418 651314365 /nfs/dbraw/zinc/31/43/65/651314365.db2.gz LCFJWEGGHIFGTI-MRTMQBJTSA-N 1 0 313.195 2.069 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000846441989 651330864 /nfs/dbraw/zinc/33/08/64/651330864.db2.gz HVMKJKKOIDVDJF-QGZVFWFLSA-N 1 0 321.465 2.176 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352794 651453892 /nfs/dbraw/zinc/45/38/92/651453892.db2.gz UJCJLMYSGWNXAD-MMCPSDEHSA-N 1 0 316.401 2.244 20 10 DECDRO C/C(=C\c1cccnc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394087 651455740 /nfs/dbraw/zinc/45/57/40/651455740.db2.gz MVXXFHNPHWXKNU-BJRSVTDJSA-N 1 0 324.428 2.367 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848415030 651457191 /nfs/dbraw/zinc/45/71/91/651457191.db2.gz QMYJMZXNRJYYPT-FUHWJXTLSA-N 1 0 301.434 2.067 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CO)c1O ZINC000848529187 651467880 /nfs/dbraw/zinc/46/78/80/651467880.db2.gz LFGDYHCWBSHLDX-JGVFFNPUSA-N 1 0 304.184 2.195 20 10 DECDRO COCCCN(C(=O)C1=CC(=O)CS1)C1CC[NH+](C)CC1 ZINC000854526486 651495429 /nfs/dbraw/zinc/49/54/29/651495429.db2.gz FMMUBONEKBBKME-UHFFFAOYSA-N 1 0 312.435 2.027 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1O ZINC000848895172 651548779 /nfs/dbraw/zinc/54/87/79/651548779.db2.gz RQIPNQJELDSWLV-MRXNPFEDSA-N 1 0 315.417 2.311 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000848918915 651561386 /nfs/dbraw/zinc/56/13/86/651561386.db2.gz OIIUYCYEKGHRFB-MRXNPFEDSA-N 1 0 318.417 2.137 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 ZINC000848920925 651562167 /nfs/dbraw/zinc/56/21/67/651562167.db2.gz MXNACTBSNANOMP-INIZCTEOSA-N 1 0 318.417 2.137 20 10 DECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000850034009 651809342 /nfs/dbraw/zinc/80/93/42/651809342.db2.gz FYKGQOJAXWCQQF-HUUCEWRRSA-N 1 0 308.397 2.319 20 10 DECDRO COc1cc(C[NH2+]Cc2cnnn2C)c(O)c(C(C)(C)C)c1 ZINC000850300788 651892895 /nfs/dbraw/zinc/89/28/95/651892895.db2.gz DRXPUTBLXRAOMC-UHFFFAOYSA-N 1 0 304.394 2.117 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnn4c3CCC4)C2)cc1 ZINC000850347597 651905794 /nfs/dbraw/zinc/90/57/94/651905794.db2.gz UNHVXQISXRPMRX-OAHLLOKOSA-N 1 0 312.417 2.206 20 10 DECDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850350462 651907048 /nfs/dbraw/zinc/90/70/48/651907048.db2.gz CCEYORDWMAEHSS-KRWDZBQOSA-N 1 0 317.477 2.486 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](COC)C2CCOCC2)c(O)c1 ZINC000850351194 651908290 /nfs/dbraw/zinc/90/82/90/651908290.db2.gz KQQCNWUJMBCRGQ-INIZCTEOSA-N 1 0 309.406 2.322 20 10 DECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850382942 651916596 /nfs/dbraw/zinc/91/65/96/651916596.db2.gz COXXWUUTHAUSTR-ZBFHGGJFSA-N 1 0 308.397 2.177 20 10 DECDRO COc1cc(C[NH2+]C[C@@H]2CCC(=O)N2)c(O)c(C(C)(C)C)c1 ZINC000850388587 651917498 /nfs/dbraw/zinc/91/74/98/651917498.db2.gz GNHIMBKPECKELL-LBPRGKRZSA-N 1 0 306.406 2.067 20 10 DECDRO C[C@H](O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850420939 651926264 /nfs/dbraw/zinc/92/62/64/651926264.db2.gz UQQYSCOCKBPANU-APPDUMDISA-N 1 0 301.342 2.333 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000114541395 651962108 /nfs/dbraw/zinc/96/21/08/651962108.db2.gz ARIKFJAUBIEQKA-UPJWGTAASA-N 1 0 306.406 2.278 20 10 DECDRO CN(C)c1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000857003394 652025251 /nfs/dbraw/zinc/02/52/51/652025251.db2.gz XUPWXRYOZJVFFI-ZDUSSCGKSA-N 1 0 307.413 2.288 20 10 DECDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c(F)ccc(O)c1O ZINC000857340957 652109705 /nfs/dbraw/zinc/10/97/05/652109705.db2.gz JYCCZEJXRZGBOX-UHFFFAOYSA-N 1 0 322.380 2.089 20 10 DECDRO CC[N@H+](CCNC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000115677489 652185057 /nfs/dbraw/zinc/18/50/57/652185057.db2.gz WELPVTPSMZSCME-UHFFFAOYSA-N 1 0 318.465 2.345 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@H]3COC(C)(C)O3)CC2)cc1 ZINC000851733469 652220086 /nfs/dbraw/zinc/22/00/86/652220086.db2.gz WSWSNBDLGUVFPN-KRWDZBQOSA-N 1 0 320.433 2.359 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000115825114 652246002 /nfs/dbraw/zinc/24/60/02/652246002.db2.gz RYAMFTVYHKSJRF-OAHLLOKOSA-N 1 0 318.465 2.202 20 10 DECDRO COC[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000851841858 652255950 /nfs/dbraw/zinc/25/59/50/652255950.db2.gz YNHYPHVZYFHDOE-JKSUJKDBSA-N 1 0 309.406 2.035 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000858226774 652283500 /nfs/dbraw/zinc/28/35/00/652283500.db2.gz PPCKKMSSSBIKCH-ROUUACIJSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000858279395 652295925 /nfs/dbraw/zinc/29/59/25/652295925.db2.gz ZZFWKWQKQCRNIN-AWEZNQCLSA-N 1 0 305.422 2.230 20 10 DECDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858282004 652295960 /nfs/dbraw/zinc/29/59/60/652295960.db2.gz CFHURQWNPWAPLK-BASYENTBSA-N 1 0 304.434 2.425 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000852632014 652430459 /nfs/dbraw/zinc/43/04/59/652430459.db2.gz NZXVIZKYFKAUOZ-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CNCCO1 ZINC000852745938 652448320 /nfs/dbraw/zinc/44/83/20/652448320.db2.gz DOXIKSOKQQNLDQ-GOSISDBHSA-N 1 0 303.450 2.097 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000852765649 652452873 /nfs/dbraw/zinc/45/28/73/652452873.db2.gz UDKLUAIUMILCMN-UHFFFAOYSA-N 1 0 305.422 2.381 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853524070 652562182 /nfs/dbraw/zinc/56/21/82/652562182.db2.gz XJSALBLKJHSGJZ-CYBMUJFWSA-N 1 0 309.373 2.054 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(O)cc1C ZINC000853595959 652575442 /nfs/dbraw/zinc/57/54/42/652575442.db2.gz VKWQXCDUZGNGFD-CQSZACIVSA-N 1 0 318.417 2.154 20 10 DECDRO C[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000854004431 652631711 /nfs/dbraw/zinc/63/17/11/652631711.db2.gz RPQQCUXVQJQBDR-KBPBESRZSA-N 1 0 306.454 2.453 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cnccc3N)C2)cc1 ZINC000854216663 652658988 /nfs/dbraw/zinc/65/89/88/652658988.db2.gz CBGAIEUOTDONHH-KBPBESRZSA-N 1 0 312.417 2.432 20 10 DECDRO COc1ccc(N2CC[C@H](N[C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217683 652659584 /nfs/dbraw/zinc/65/95/84/652659584.db2.gz OPLGFWJTGFLPQW-VKJFTORMSA-N 1 0 303.450 2.394 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@]3(O)CCSC3)CC2)cc1 ZINC000305172652 685280899 /nfs/dbraw/zinc/28/08/99/685280899.db2.gz UOJVWGUOTOQTBL-KRWDZBQOSA-N 1 0 322.474 2.122 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000858494555 685550864 /nfs/dbraw/zinc/55/08/64/685550864.db2.gz KPIVIJPYPIEATD-NRPADANISA-N 1 0 313.195 2.069 20 10 DECDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc2ccccc2c1O ZINC000858547267 685556028 /nfs/dbraw/zinc/55/60/28/685556028.db2.gz FEPCYZRLDRJLDS-DZGCQCFKSA-N 1 0 300.402 2.263 20 10 DECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092380107 684042135 /nfs/dbraw/zinc/04/21/35/684042135.db2.gz IYAVYXJKJLFMSO-UHFFFAOYSA-N 1 0 324.396 2.047 20 10 DECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000092470734 684042951 /nfs/dbraw/zinc/04/29/51/684042951.db2.gz XFWNOQPFISWJGN-LLVKDONJSA-N 1 0 316.195 2.120 20 10 DECDRO CC[C@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000125076425 684141761 /nfs/dbraw/zinc/14/17/61/684141761.db2.gz YIDHSKUKWJBCRW-QGZVFWFLSA-N 1 0 319.449 2.120 20 10 DECDRO CC[C@@H]([NH3+])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000130175000 684186442 /nfs/dbraw/zinc/18/64/42/684186442.db2.gz QWPLGGGGGHCMHP-LLVKDONJSA-N 1 0 315.211 2.241 20 10 DECDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188916679 684367237 /nfs/dbraw/zinc/36/72/37/684367237.db2.gz NEWGIZIEUDFEAE-OAHLLOKOSA-N 1 0 315.369 2.123 20 10 DECDRO COC(=O)/C=C(/C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929186229 693912799 /nfs/dbraw/zinc/91/27/99/693912799.db2.gz ZORVDJATRWKURE-QINSGFPZSA-N 1 0 318.417 2.074 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccccc2)c1 ZINC000193807497 685049852 /nfs/dbraw/zinc/04/98/52/685049852.db2.gz DNXVAJVYJIKWCL-ZDUSSCGKSA-N 1 0 314.385 2.368 20 10 DECDRO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194540661 685069027 /nfs/dbraw/zinc/06/90/27/685069027.db2.gz WNSRQXADLFJRKB-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2cccc(C)n2)cc1OC ZINC000280590115 685215367 /nfs/dbraw/zinc/21/53/67/685215367.db2.gz NBYSSCAVURVYBQ-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304228399 685247221 /nfs/dbraw/zinc/24/72/21/685247221.db2.gz HMECKYMEAJKFOY-KRWDZBQOSA-N 1 0 310.413 2.303 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861686083 686169178 /nfs/dbraw/zinc/16/91/78/686169178.db2.gz MFZRKDVUONDNJE-DZGCQCFKSA-N 1 0 305.422 2.454 20 10 DECDRO CN(C)c1cc(F)c(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1F ZINC000862247220 686264652 /nfs/dbraw/zinc/26/46/52/686264652.db2.gz XXKKMMYMMOLEQY-UHFFFAOYSA-N 1 0 323.387 2.133 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863031441 686422295 /nfs/dbraw/zinc/42/22/95/686422295.db2.gz GRAZCRFHXPBHHN-VFADXPBXSA-N 1 0 316.401 2.244 20 10 DECDRO COc1cccc(O)c1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000863487112 686509175 /nfs/dbraw/zinc/50/91/75/686509175.db2.gz QULYSUBDFZFSSC-UHFFFAOYSA-N 1 0 300.358 2.495 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(OCC)ccc2O)on1 ZINC000865765172 687326725 /nfs/dbraw/zinc/32/67/25/687326725.db2.gz ZEFCHBBOVKZRKX-UHFFFAOYSA-N 1 0 320.345 2.245 20 10 DECDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988722 688704579 /nfs/dbraw/zinc/70/45/79/688704579.db2.gz XUJGFGZDDDFKJU-KHIZAZIESA-N 1 0 306.406 2.102 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@H](O)C[C@](C)(O)C3CC3)ccc21 ZINC000872199881 688949981 /nfs/dbraw/zinc/94/99/81/688949981.db2.gz SENWCPWVQMAGNV-MJGOQNOKSA-N 1 0 318.461 2.071 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000872281523 688973380 /nfs/dbraw/zinc/97/33/80/688973380.db2.gz UDNYVXWXHMMTET-HIFRSBDPSA-N 1 0 307.413 2.416 20 10 DECDRO COCC[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873033989 689145249 /nfs/dbraw/zinc/14/52/49/689145249.db2.gz RNCWZKBQMYGQKZ-AWEZNQCLSA-N 1 0 303.406 2.455 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1C ZINC000873132573 689165952 /nfs/dbraw/zinc/16/59/52/689165952.db2.gz YEDBMXDYOSLJKT-HNNXBMFYSA-N 1 0 315.421 2.265 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873269052 689198844 /nfs/dbraw/zinc/19/88/44/689198844.db2.gz KKCBLBPZSRUWEQ-NEPJUHHUSA-N 1 0 306.406 2.218 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](c2ccco2)N(C)C)c1 ZINC000874996127 689555466 /nfs/dbraw/zinc/55/54/66/689555466.db2.gz YAAXNQLZAILEMH-AWEZNQCLSA-N 1 0 317.389 2.396 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000875090759 689570212 /nfs/dbraw/zinc/57/02/12/689570212.db2.gz BDHFZXBQWMFZDS-HUUCEWRRSA-N 1 0 303.406 2.127 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000875109228 689572679 /nfs/dbraw/zinc/57/26/79/689572679.db2.gz QFNVLEZLOIPZEI-CABCVRRESA-N 1 0 301.390 2.044 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875369422 689614836 /nfs/dbraw/zinc/61/48/36/689614836.db2.gz JHDKHEKTPKIQJW-AWEZNQCLSA-N 1 0 317.433 2.395 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(F)F)CCC2)cc1 ZINC000876506810 689842053 /nfs/dbraw/zinc/84/20/53/689842053.db2.gz ORCPSHCYEMVAJK-ZDUSSCGKSA-N 1 0 311.376 2.304 20 10 DECDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCSc1nccs1 ZINC000876663218 689893209 /nfs/dbraw/zinc/89/32/09/689893209.db2.gz YDXDURIQXQRWOV-VNPHXJNISA-N 1 0 311.476 2.153 20 10 DECDRO CN1CCCc2cc(CNC(=O)/C=C\[C@@H]3CCC[NH2+]C3)ccc21 ZINC000876740394 689922745 /nfs/dbraw/zinc/92/27/45/689922745.db2.gz MXQFKAIVQDSRSR-VIHMKRCTSA-N 1 0 313.445 2.241 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C/[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000876885560 689964457 /nfs/dbraw/zinc/96/44/57/689964457.db2.gz ORWCSRRPQROFGV-YSKGHYERSA-N 1 0 304.390 2.222 20 10 DECDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876886484 689964608 /nfs/dbraw/zinc/96/46/08/689964608.db2.gz XXUTZSBFQPMVJB-GDBMZVCRSA-N 1 0 302.418 2.261 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000876965641 689984697 /nfs/dbraw/zinc/98/46/97/689984697.db2.gz JKYSDKLQQQTJOM-SFHVURJKSA-N 1 0 322.424 2.301 20 10 DECDRO CCCN(CC)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877079049 690013959 /nfs/dbraw/zinc/01/39/59/690013959.db2.gz OHMOSBCVDSMHKK-UHFFFAOYSA-N 1 0 319.493 2.469 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000877409158 690105641 /nfs/dbraw/zinc/10/56/41/690105641.db2.gz YZQYQTKEIVNFCT-UHFFFAOYSA-N 1 0 305.422 2.326 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000877422943 690107799 /nfs/dbraw/zinc/10/77/99/690107799.db2.gz WXMNAHVXLGVIAW-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877538766 690145555 /nfs/dbraw/zinc/14/55/55/690145555.db2.gz DHCNJJWIMNFAEE-SFHVURJKSA-N 1 0 306.450 2.144 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1Cn1cccn1 ZINC000877575514 690157031 /nfs/dbraw/zinc/15/70/31/690157031.db2.gz WZEDBKXLYCCWBJ-NVXWUHKLSA-N 1 0 315.417 2.191 20 10 DECDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877608397 690166545 /nfs/dbraw/zinc/16/65/45/690166545.db2.gz UKPSTLZLZSQXJJ-CQSZACIVSA-N 1 0 316.323 2.201 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c(O)c1 ZINC000877617450 690169345 /nfs/dbraw/zinc/16/93/45/690169345.db2.gz WNUBGQKFZRRXQM-MRXNPFEDSA-N 1 0 302.418 2.437 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1CO ZINC000877646631 690178477 /nfs/dbraw/zinc/17/84/77/690178477.db2.gz JZTGHUDBSKHFKI-RDJZCZTQSA-N 1 0 318.461 2.098 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000877676167 690187184 /nfs/dbraw/zinc/18/71/84/690187184.db2.gz YBFJSMXDCHSLLJ-LLVKDONJSA-N 1 0 300.284 2.185 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCOC3)CC2)c(OC)c1 ZINC000877708144 690198813 /nfs/dbraw/zinc/19/88/13/690198813.db2.gz BIQVZVLEJAHRFB-OAHLLOKOSA-N 1 0 320.433 2.252 20 10 DECDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000877725489 690205291 /nfs/dbraw/zinc/20/52/91/690205291.db2.gz CZXUZOMCYWLPEB-RHSMWYFYSA-N 1 0 315.369 2.213 20 10 DECDRO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c(O)c1 ZINC000877783824 690226690 /nfs/dbraw/zinc/22/66/90/690226690.db2.gz IAXOLWTWGLBDFB-HOTGVXAUSA-N 1 0 307.390 2.053 20 10 DECDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001036310430 690317489 /nfs/dbraw/zinc/31/74/89/690317489.db2.gz XKPRCTYARSSQBD-BXUZGUMPSA-N 1 0 317.393 2.309 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880523503 690917987 /nfs/dbraw/zinc/91/79/87/690917987.db2.gz IIFHTQXQQAOUAK-NVXWUHKLSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccccc1O ZINC000931553873 694427684 /nfs/dbraw/zinc/42/76/84/694427684.db2.gz IGVRYGFRCWYHDT-STQMWFEESA-N 1 0 306.406 2.069 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000883140879 691439251 /nfs/dbraw/zinc/43/92/51/691439251.db2.gz HVRNNYPTAFPWBN-QGZVFWFLSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000883305666 691477825 /nfs/dbraw/zinc/47/78/25/691477825.db2.gz CDZGCGHPCZZJRE-XJKSGUPXSA-N 1 0 310.463 2.371 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884306210 691705607 /nfs/dbraw/zinc/70/56/07/691705607.db2.gz YGAHEFVVNDEKCP-INIZCTEOSA-N 1 0 303.450 2.347 20 10 DECDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001044879468 691901467 /nfs/dbraw/zinc/90/14/67/691901467.db2.gz PDMYWIVHEOAJKY-FZMZJTMJSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C)OC)cc1C ZINC001044947594 691917800 /nfs/dbraw/zinc/91/78/00/691917800.db2.gz UXWLDHNCBWVHRA-ZBFHGGJFSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@](C)(O)C(F)F)CC2)cc1 ZINC000885959881 691971670 /nfs/dbraw/zinc/97/16/70/691971670.db2.gz DBJIBXPCRQFTSH-INIZCTEOSA-N 1 0 314.376 2.223 20 10 DECDRO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886501240 692094723 /nfs/dbraw/zinc/09/47/23/692094723.db2.gz BVONYSZFKXOYDD-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC3(OC)OC)C2)cc1 ZINC000926681238 693491965 /nfs/dbraw/zinc/49/19/65/693491965.db2.gz XBVAWZAMQVVKRA-CJNGLKHVSA-N 1 0 306.406 2.015 20 10 DECDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926724819 693500241 /nfs/dbraw/zinc/50/02/41/693500241.db2.gz NGFJCCPJZBPXBE-SUNYJGFJSA-N 1 0 304.434 2.161 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000927152446 693561314 /nfs/dbraw/zinc/56/13/14/693561314.db2.gz USALDCFUBLAOCF-DZGCQCFKSA-N 1 0 313.449 2.479 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335731574 1150514413 /nfs/dbraw/zinc/51/44/13/1150514413.db2.gz SFXZWVKZBSJWAY-UHFFFAOYSA-N 1 0 304.438 2.285 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)c(C)n1-c1ccccn1 ZINC001347290624 1151054281 /nfs/dbraw/zinc/05/42/81/1151054281.db2.gz HYYUTWSLJWKFNN-QGZVFWFLSA-N 1 0 324.428 2.313 20 10 DECDRO C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1C1CCCC1 ZINC001349384595 1151245429 /nfs/dbraw/zinc/24/54/29/1151245429.db2.gz SQCMIQHMCUSHDK-LBPRGKRZSA-N 1 0 304.390 2.187 20 10 DECDRO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(N2CCCC2)cc1 ZINC001350553259 1151369875 /nfs/dbraw/zinc/36/98/75/1151369875.db2.gz OKPRSAUDSYOHKX-UHFFFAOYSA-N 1 0 301.434 2.341 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3[NH2+]CC34CCCC4)ccc21 ZINC001353073229 1151808117 /nfs/dbraw/zinc/80/81/17/1151808117.db2.gz QCYCPXCICCIPHU-KRWDZBQOSA-N 1 0 313.445 2.217 20 10 DECDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001347223977 1151049703 /nfs/dbraw/zinc/04/97/03/1151049703.db2.gz OWRXSZPQSRBZPL-INIZCTEOSA-N 1 0 322.474 2.201 20 10 DECDRO C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)CC(=O)[O-] ZINC001331933603 1149781101 /nfs/dbraw/zinc/78/11/01/1149781101.db2.gz FCOMQHIVGZWPJZ-UHFFFAOYSA-N 1 0 319.449 2.124 20 10 DECDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001330622066 1149214854 /nfs/dbraw/zinc/21/48/54/1149214854.db2.gz OPBGVWDTBRPIGF-YJBOKZPZSA-N 1 0 304.434 2.305 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H](C)O2)cc1C ZINC001167052634 776548692 /nfs/dbraw/zinc/54/86/92/776548692.db2.gz VONFKIHLZKXRSM-RHSMWYFYSA-N 1 0 320.433 2.167 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cc(N)c(F)c[nH+]3)cc2)CC1 ZINC001167426945 777020260 /nfs/dbraw/zinc/02/02/60/777020260.db2.gz POOWYPHJCCZFFK-UHFFFAOYSA-N 1 0 315.396 2.167 20 10 DECDRO Oc1cc(O)c(CCNc2ccc([C@@H]3CCC[NH2+]3)cn2)cc1O ZINC001168009282 779294729 /nfs/dbraw/zinc/29/47/29/779294729.db2.gz FZUJUEPNRMEGRV-ZDUSSCGKSA-N 1 0 315.373 2.278 20 10 DECDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CCS(=O)(=O)CC1 ZINC000093476517 780572776 /nfs/dbraw/zinc/57/27/76/780572776.db2.gz VCAJCCCXTYARQD-UHFFFAOYSA-N 1 0 303.811 2.055 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c(O)c1 ZINC001144504148 790935528 /nfs/dbraw/zinc/93/55/28/790935528.db2.gz NAISZTKTMJRPCK-UHFFFAOYSA-N 1 0 315.316 2.194 20 10 DECDRO C[N@H+](Cc1cccc2c1OCO2)Cc1c(O)cc(O)cc1O ZINC001144520440 790939667 /nfs/dbraw/zinc/93/96/67/790939667.db2.gz QWXOZGJEFOAMTF-UHFFFAOYSA-N 1 0 303.314 2.164 20 10 DECDRO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509212 790941229 /nfs/dbraw/zinc/94/12/29/790941229.db2.gz PFJKDNPXNHZLRQ-CYBMUJFWSA-N 1 0 323.389 2.500 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)c(OC)c1 ZINC001144514777 790942221 /nfs/dbraw/zinc/94/22/21/790942221.db2.gz RQTRRFPQXDQVDT-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC000966144505 783578926 /nfs/dbraw/zinc/57/89/26/783578926.db2.gz VUWAXZZXAYZQDL-CYBMUJFWSA-N 1 0 312.360 2.349 20 10 DECDRO CC[C@@H](OC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000967606671 784069427 /nfs/dbraw/zinc/06/94/27/784069427.db2.gz JJXWEHVBPGBWCT-HZPDHXFCSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3CC3)C2)cc1C ZINC001086290132 784546563 /nfs/dbraw/zinc/54/65/63/784546563.db2.gz BADKYWJGHYJKOZ-KOMQPUFPSA-N 1 0 302.418 2.398 20 10 DECDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001168962378 784987844 /nfs/dbraw/zinc/98/78/44/784987844.db2.gz MBQXAIUVHRJXMJ-HOTGVXAUSA-N 1 0 319.405 2.058 20 10 DECDRO C[C@H](CC[NH2+]Cc1ccc(Br)cc1O)[S@](C)=O ZINC000691440284 785539312 /nfs/dbraw/zinc/53/93/12/785539312.db2.gz POEPBEQDZULWSS-XLFHBGCDSA-N 1 0 320.252 2.401 20 10 DECDRO CC[S@@](=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691464748 785901751 /nfs/dbraw/zinc/90/17/51/785901751.db2.gz GCAVOLWJDVGZDA-MRXNPFEDSA-N 1 0 306.225 2.013 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]2OC)cc1C ZINC001130499866 787407801 /nfs/dbraw/zinc/40/78/01/787407801.db2.gz LDOXBCHEORYXLA-NVXWUHKLSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2csc(C)n2)cc1C ZINC001132825987 788202669 /nfs/dbraw/zinc/20/26/69/788202669.db2.gz DYJCRLHUZXULJT-UHFFFAOYSA-N 1 0 319.430 2.288 20 10 DECDRO COCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133414425 788406977 /nfs/dbraw/zinc/40/69/77/788406977.db2.gz KVDJWNMNHXCVHW-KGLIPLIRSA-N 1 0 308.422 2.023 20 10 DECDRO CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873443 789124328 /nfs/dbraw/zinc/12/43/28/789124328.db2.gz XLMBRMRRWOOBFW-QWHCGFSZSA-N 1 0 323.437 2.385 20 10 DECDRO CC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103201 790053727 /nfs/dbraw/zinc/05/37/27/790053727.db2.gz VIBFMKUMSCGWOQ-SMDDNHRTSA-N 1 0 317.393 2.452 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c(F)cccc3C2)cc1O ZINC001171393387 792225522 /nfs/dbraw/zinc/22/55/22/792225522.db2.gz OXNMUGNDIQXKIQ-FZKQIMNGSA-N 1 0 317.360 2.417 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)cc1C ZINC001173750400 793836561 /nfs/dbraw/zinc/83/65/61/793836561.db2.gz ICQJPQOJBNOOAN-LSDHHAIUSA-N 1 0 301.394 2.264 20 10 DECDRO Cn1ncc(Br)c1C[NH2+]CCc1ccc(N)cc1 ZINC000693421326 794502575 /nfs/dbraw/zinc/50/25/75/794502575.db2.gz WWWYXWUMTCFYSP-UHFFFAOYSA-N 1 0 309.211 2.097 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1O ZINC001116378121 794953783 /nfs/dbraw/zinc/95/37/83/794953783.db2.gz ZCEFSBJFODIPFP-ZDUSSCGKSA-N 1 0 318.417 2.200 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1O ZINC001116378120 794953987 /nfs/dbraw/zinc/95/39/87/794953987.db2.gz ZCEFSBJFODIPFP-CYBMUJFWSA-N 1 0 318.417 2.200 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(C(N)=O)CCOCC1 ZINC001116565329 794968220 /nfs/dbraw/zinc/96/82/20/794968220.db2.gz PMZBGPFEISNMEP-OLZOCXBDSA-N 1 0 318.417 2.121 20 10 DECDRO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116770980 794985400 /nfs/dbraw/zinc/98/54/00/794985400.db2.gz MLDUPAGAXNEHMW-SFHVURJKSA-N 1 0 313.445 2.484 20 10 DECDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119203438 795272544 /nfs/dbraw/zinc/27/25/44/795272544.db2.gz CLCYNJHPQLGAGH-GJZGRUSLSA-N 1 0 303.406 2.290 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC2(C[NH3+])CCCCC2)cc1 ZINC001119405674 795298589 /nfs/dbraw/zinc/29/85/89/795298589.db2.gz LSYKKXAASOKDBT-UHFFFAOYSA-N 1 0 304.438 2.213 20 10 DECDRO CC(C)c1ccc(O)c(C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC001183036916 795793234 /nfs/dbraw/zinc/79/32/34/795793234.db2.gz UYDJQVIOYGBZEE-UHFFFAOYSA-N 1 0 313.405 2.023 20 10 DECDRO C[C@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1O ZINC001183364166 795856250 /nfs/dbraw/zinc/85/62/50/795856250.db2.gz XJFCRXDXSSBMNC-LBPRGKRZSA-N 1 0 309.431 2.400 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c1O ZINC001203594137 796098373 /nfs/dbraw/zinc/09/83/73/796098373.db2.gz SRXSMQLAILYVML-SFHVURJKSA-N 1 0 318.417 2.378 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)ccc21 ZINC001138359007 796205577 /nfs/dbraw/zinc/20/55/77/796205577.db2.gz HEDAEMIJOJYRBW-QGZVFWFLSA-N 1 0 311.433 2.498 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC001138359022 796205598 /nfs/dbraw/zinc/20/55/98/796205598.db2.gz HOZFOHDVOUTRJX-BBRMVZONSA-N 1 0 302.418 2.310 20 10 DECDRO CCN(CC)c1ccc(CN2CC3(C2)C[NH+](C)C3)c(OC)c1 ZINC001138391566 796211864 /nfs/dbraw/zinc/21/18/64/796211864.db2.gz GATGLMQAHZTJOQ-UHFFFAOYSA-N 1 0 303.450 2.289 20 10 DECDRO COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253473 796348880 /nfs/dbraw/zinc/34/88/80/796348880.db2.gz VNLWAVCTBQIGAK-CHWSQXEVSA-N 1 0 308.422 2.072 20 10 DECDRO COc1cc(CN2CCOC[C@@H]2C(C)C)cc(C[NH+](C)C)c1O ZINC001139257846 796350124 /nfs/dbraw/zinc/35/01/24/796350124.db2.gz IKYXWHQSLHEXQR-MRXNPFEDSA-N 1 0 322.449 2.319 20 10 DECDRO COc1cc(CN2CCC(=O)[C@@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001139255745 796350248 /nfs/dbraw/zinc/35/02/48/796350248.db2.gz RVVZWKIALHAVEE-ZDUSSCGKSA-N 1 0 320.433 2.263 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)ccc1N(C)C ZINC001139671479 796407792 /nfs/dbraw/zinc/40/77/92/796407792.db2.gz WPQCHTQOWJIZQJ-RYQLBKOJSA-N 1 0 304.434 2.033 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1O ZINC001140283218 796502014 /nfs/dbraw/zinc/50/20/14/796502014.db2.gz PDCJMTMEXQRBBM-KXBFYZLASA-N 1 0 318.461 2.241 20 10 DECDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140465164 796526305 /nfs/dbraw/zinc/52/63/05/796526305.db2.gz JWFCUWGXBNJPQR-JKSUJKDBSA-N 1 0 323.868 2.256 20 10 DECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC001140621595 796546828 /nfs/dbraw/zinc/54/68/28/796546828.db2.gz LYNGAYDAVAOVTO-IYBDPMFKSA-N 1 0 310.401 2.059 20 10 DECDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664516 796553152 /nfs/dbraw/zinc/55/31/52/796553152.db2.gz JSCIFOZAFDFQAW-AWEZNQCLSA-N 1 0 306.381 2.073 20 10 DECDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1F ZINC001140665181 796553642 /nfs/dbraw/zinc/55/36/42/796553642.db2.gz GYBAGMBTSFDYLO-IYBDPMFKSA-N 1 0 318.392 2.358 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001140744447 796566687 /nfs/dbraw/zinc/56/66/87/796566687.db2.gz XSMVGURUQUARTI-MRXNPFEDSA-N 1 0 324.380 2.419 20 10 DECDRO Cc1nccnc1O[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749976 796567658 /nfs/dbraw/zinc/56/76/58/796567658.db2.gz QTNZGSWRRPZRQN-CQSZACIVSA-N 1 0 315.373 2.158 20 10 DECDRO CCC1=NC2(CC[NH+](Cc3ccc(C)cc3O)CC2)C(=O)N1C ZINC001140953598 796606276 /nfs/dbraw/zinc/60/62/76/796606276.db2.gz DAMJSMYXRFVRLC-UHFFFAOYSA-N 1 0 315.417 2.316 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c(OC)c1 ZINC001141031324 796621573 /nfs/dbraw/zinc/62/15/73/796621573.db2.gz DBEGFKKVLQRMBL-KRWDZBQOSA-N 1 0 309.406 2.392 20 10 DECDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075822 796631504 /nfs/dbraw/zinc/63/15/04/796631504.db2.gz BJRJYKVDLSLBMG-QGZVFWFLSA-N 1 0 313.445 2.225 20 10 DECDRO Cc1cncnc1OC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162891 796643293 /nfs/dbraw/zinc/64/32/93/796643293.db2.gz JNROWCCIYRSNKT-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C1C[NH+](C)C1 ZINC001142605363 796753491 /nfs/dbraw/zinc/75/34/91/796753491.db2.gz YFDJKZMZFIHDEB-MRXNPFEDSA-N 1 0 302.418 2.310 20 10 DECDRO CN1C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1=O ZINC001143108881 796802317 /nfs/dbraw/zinc/80/23/17/796802317.db2.gz YAKSHXGAPGWJGO-KGLIPLIRSA-N 1 0 302.418 2.210 20 10 DECDRO CN(C1COC1)C1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111225 796803089 /nfs/dbraw/zinc/80/30/89/796803089.db2.gz ZKRAAKHUNUQRPN-UHFFFAOYSA-N 1 0 304.434 2.205 20 10 DECDRO O=C(c1ccn2c[nH+]cc2c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001151905620 797115573 /nfs/dbraw/zinc/11/55/73/797115573.db2.gz PNBCVHGQMMRJOH-UHFFFAOYSA-N 1 0 323.352 2.334 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(F)F)cc1C ZINC001154128696 797468083 /nfs/dbraw/zinc/46/80/83/797468083.db2.gz BMXYVCXDHUTZNE-UHFFFAOYSA-N 1 0 300.349 2.255 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccns2)cc1C ZINC001159107694 798522703 /nfs/dbraw/zinc/52/27/03/798522703.db2.gz JOJYJTZADNRASY-UHFFFAOYSA-N 1 0 319.430 2.370 20 10 DECDRO [NH3+]CC1CCC(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001160924489 798763401 /nfs/dbraw/zinc/76/34/01/798763401.db2.gz KVJSDPAIHMNIRC-UHFFFAOYSA-N 1 0 318.417 2.138 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2OCC[C@H]2C)cc1C ZINC001166943739 799985123 /nfs/dbraw/zinc/98/51/23/799985123.db2.gz IPCPIWHRAIWMKL-DYVFJYSZSA-N 1 0 320.433 2.025 20 10 DECDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccccc1O)CC2 ZINC001203551473 800076551 /nfs/dbraw/zinc/07/65/51/800076551.db2.gz FIJHNLZPRPXGSI-UHFFFAOYSA-N 1 0 312.417 2.239 20 10 DECDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203562019 800081303 /nfs/dbraw/zinc/08/13/03/800081303.db2.gz BCPNCUSZXIYCSQ-AWEZNQCLSA-N 1 0 315.373 2.234 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1O ZINC001203608535 800088632 /nfs/dbraw/zinc/08/86/32/800088632.db2.gz SOSPUUUJUUCLQM-UHFFFAOYSA-N 1 0 318.417 2.426 20 10 DECDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203884089 800140663 /nfs/dbraw/zinc/14/06/63/800140663.db2.gz RHVSASIEWRVMJL-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001203932771 800147712 /nfs/dbraw/zinc/14/77/12/800147712.db2.gz CCFMDTIKHWQXDD-IPMKNSEASA-N 1 0 316.445 2.378 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC001203931564 800147752 /nfs/dbraw/zinc/14/77/52/800147752.db2.gz JLLJOJFZDDCBBC-GOSISDBHSA-N 1 0 301.434 2.387 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)cc1 ZINC001203934602 800148087 /nfs/dbraw/zinc/14/80/87/800148087.db2.gz XAFAQOUTNWXHKB-UHFFFAOYSA-N 1 0 303.450 2.476 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)cc1 ZINC001203940528 800149030 /nfs/dbraw/zinc/14/90/30/800149030.db2.gz OPFPBXOVBRZNDJ-QZTJIDSGSA-N 1 0 306.450 2.098 20 10 DECDRO Oc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC001204275408 800198532 /nfs/dbraw/zinc/19/85/32/800198532.db2.gz QIPYVIDTXSTYSE-UHFFFAOYSA-N 1 0 312.413 2.458 20 10 DECDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278123 800199053 /nfs/dbraw/zinc/19/90/53/800199053.db2.gz URYKVSYYDNSLHV-UHFFFAOYSA-N 1 0 306.406 2.177 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2ccccc21 ZINC001204277852 800199228 /nfs/dbraw/zinc/19/92/28/800199228.db2.gz MJBKRIMVVYAFED-MRXNPFEDSA-N 1 0 313.353 2.370 20 10 DECDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278563 800200842 /nfs/dbraw/zinc/20/08/42/800200842.db2.gz FSZYKHBLSUOZRI-UHFFFAOYSA-N 1 0 318.417 2.322 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)c1O ZINC001205679019 800399570 /nfs/dbraw/zinc/39/95/70/800399570.db2.gz YZWWTGPXJZNFPU-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Cl ZINC001206110396 800475128 /nfs/dbraw/zinc/47/51/28/800475128.db2.gz WUYJBSITVIWFAT-ZIAGYGMSSA-N 1 0 312.841 2.237 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)cc1OC ZINC001206371773 800519414 /nfs/dbraw/zinc/51/94/14/800519414.db2.gz WBDYRUIJYIOSSE-INIZCTEOSA-N 1 0 312.385 2.062 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001209517049 801205443 /nfs/dbraw/zinc/20/54/43/801205443.db2.gz XAQMLSZEZCIJBD-PKOBYXMFSA-N 1 0 314.429 2.269 20 10 DECDRO Cc1cccc(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c1O ZINC001231593248 801692562 /nfs/dbraw/zinc/69/25/62/801692562.db2.gz SCNAPCJZHFIUHH-UHFFFAOYSA-N 1 0 316.323 2.344 20 10 DECDRO COc1cc(C[N@H+](CCO)Cc2cccs2)c(O)cc1O ZINC001231636721 801699989 /nfs/dbraw/zinc/69/99/89/801699989.db2.gz UTKMSBIYFUNEPK-UHFFFAOYSA-N 1 0 309.387 2.162 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)cc1O ZINC001231635777 801700974 /nfs/dbraw/zinc/70/09/74/801700974.db2.gz LGDARCUJWGECKZ-CYBMUJFWSA-N 1 0 300.358 2.491 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000179647511 801732891 /nfs/dbraw/zinc/73/28/91/801732891.db2.gz AXRVPXMAJORHIE-UHFFFAOYSA-N 1 0 305.403 2.180 20 10 DECDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1c(C)cc(C)cc1O)C2 ZINC001231849077 801736640 /nfs/dbraw/zinc/73/66/40/801736640.db2.gz MGBAGERVXDRHMS-HNNXBMFYSA-N 1 0 319.401 2.021 20 10 DECDRO CC1=NC2(CC[NH+](Cc3c(C)cc(C)cc3O)CC2)C(=O)N1C ZINC001231850107 801737453 /nfs/dbraw/zinc/73/74/53/801737453.db2.gz KFHXWHIHRROQBG-UHFFFAOYSA-N 1 0 315.417 2.234 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001231853864 801737531 /nfs/dbraw/zinc/73/75/31/801737531.db2.gz SOFIOSNNUCBQIN-HNNXBMFYSA-N 1 0 319.449 2.061 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001231858049 801738894 /nfs/dbraw/zinc/73/88/94/801738894.db2.gz QRJKXSCKHKMQAU-GOSISDBHSA-N 1 0 318.417 2.433 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1O ZINC001232194280 801813566 /nfs/dbraw/zinc/81/35/66/801813566.db2.gz HLQISFZNDUGEEM-DYVFJYSZSA-N 1 0 324.852 2.379 20 10 DECDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232262688 801831190 /nfs/dbraw/zinc/83/11/90/801831190.db2.gz MQSIUDNPUMRPFA-SECBINFHSA-N 1 0 309.753 2.432 20 10 DECDRO COC(=O)[C@]1(F)CCN(Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232263921 801834347 /nfs/dbraw/zinc/83/43/47/801834347.db2.gz BOTPWVRFRNFDHA-AWEZNQCLSA-N 1 0 317.744 2.141 20 10 DECDRO CN1CCO[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233284617 802064319 /nfs/dbraw/zinc/06/43/19/802064319.db2.gz BFHVGRWZWHEBJU-WBVHZDCISA-N 1 0 304.434 2.205 20 10 DECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233335576 802080639 /nfs/dbraw/zinc/08/06/39/802080639.db2.gz BXKVYHRBEJYEBL-DCAQKATOSA-N 1 0 311.328 2.444 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233452341 802121347 /nfs/dbraw/zinc/12/13/47/802121347.db2.gz SLLWMAWEFUFFCA-JTQLQIEISA-N 1 0 303.280 2.406 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1O ZINC001233482936 802127771 /nfs/dbraw/zinc/12/77/71/802127771.db2.gz HZKQKJSYTOFAOE-ZDUSSCGKSA-N 1 0 321.295 2.083 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)cc1O ZINC001233486069 802127822 /nfs/dbraw/zinc/12/78/22/802127822.db2.gz XBNBATUAIPYTAI-AWEZNQCLSA-N 1 0 300.358 2.406 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218034702 802135278 /nfs/dbraw/zinc/13/52/78/802135278.db2.gz ASNKXRTVDKUYLZ-MEBBXXQBSA-N 1 0 323.348 2.154 20 10 DECDRO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@H]1O ZINC001233726750 802190483 /nfs/dbraw/zinc/19/04/83/802190483.db2.gz HAWYEKKWOCQSKO-GXSJLCMTSA-N 1 0 305.296 2.494 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@](F)(CO)C3)c2c1 ZINC001234525202 802401168 /nfs/dbraw/zinc/40/11/68/802401168.db2.gz CLTXWAIVRHKWHS-QGZVFWFLSA-N 1 0 305.349 2.460 20 10 DECDRO COc1ccc2ccc(O)c(C[NH+]3CC(C(=O)N(C)C)C3)c2c1 ZINC001234552834 802412307 /nfs/dbraw/zinc/41/23/07/802412307.db2.gz KDCFCANQVLOJSO-UHFFFAOYSA-N 1 0 314.385 2.074 20 10 DECDRO Cc1cc(C)c(CNC(=O)C[C@@H]([NH3+])COC(C)(C)C)c(O)c1 ZINC001220825581 802502020 /nfs/dbraw/zinc/50/20/20/802502020.db2.gz NGUJGQPXDXPPQP-CYBMUJFWSA-N 1 0 308.422 2.158 20 10 DECDRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335737700 1150515418 /nfs/dbraw/zinc/51/54/18/1150515418.db2.gz SELZRYJYQVRDKI-UHFFFAOYSA-N 1 0 316.449 2.429 20 10 DECDRO CCC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001331775302 1149668312 /nfs/dbraw/zinc/66/83/12/1149668312.db2.gz QXBSYLTXHUEGNG-HNNXBMFYSA-N 1 0 322.449 2.007 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC001345411090 1150888422 /nfs/dbraw/zinc/88/84/22/1150888422.db2.gz JJWZBJRPKNPVEO-CQSZACIVSA-N 1 0 322.474 2.342 20 10 DECDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001328221223 1148745119 /nfs/dbraw/zinc/74/51/19/1148745119.db2.gz PFPAKRRGKOQFKB-LBPRGKRZSA-N 1 0 300.406 2.217 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(C(=O)[O-])ccc1O ZINC001604340681 1070337605 /nfs/dbraw/zinc/33/76/05/1070337605.db2.gz FBLBLHGRWHRDEC-MHDGFBEUSA-N 1 0 304.390 2.272 20 10 DECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001457531182 1057995680 /nfs/dbraw/zinc/99/56/80/1057995680.db2.gz CWLUQEODIBMWMB-OAHLLOKOSA-N 1 0 311.385 2.272 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001461338527 1058638708 /nfs/dbraw/zinc/63/87/08/1058638708.db2.gz XJLSTNVROHWNGY-CQSZACIVSA-N 1 0 310.463 2.200 20 10 DECDRO O=C([C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1)N1CCCC1 ZINC001462292623 1058794849 /nfs/dbraw/zinc/79/48/49/1058794849.db2.gz REUHGPMZJOUPSH-CYBMUJFWSA-N 1 0 308.809 2.490 20 10 DECDRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001465505044 1059319652 /nfs/dbraw/zinc/31/96/52/1059319652.db2.gz HCZCZYRKBATHFU-UHFFFAOYSA-N 1 0 318.348 2.480 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccon2)cc1C ZINC001505567863 1060719475 /nfs/dbraw/zinc/71/94/75/1060719475.db2.gz XADFOZPICHJRQN-STQMWFEESA-N 1 0 317.389 2.288 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC001474455751 1060871675 /nfs/dbraw/zinc/87/16/75/1060871675.db2.gz HEVGJBCNFDPLLE-KRWDZBQOSA-N 1 0 303.450 2.408 20 10 DECDRO CCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CC(=O)N(C)C1=O ZINC001474471020 1060874367 /nfs/dbraw/zinc/87/43/67/1060874367.db2.gz SZDLKNRKMPPSNZ-ZDUSSCGKSA-N 1 0 324.808 2.323 20 10 DECDRO C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@@H+]1C1CC1 ZINC001631593726 1078368098 /nfs/dbraw/zinc/36/80/98/1078368098.db2.gz RBQSJPVMEMZSTH-GWCFXTLKSA-N 1 0 315.377 2.204 20 10 DECDRO C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccccc1O ZINC001632250257 1078381108 /nfs/dbraw/zinc/38/11/08/1078381108.db2.gz NYWSOJSEVFQFBT-LBPRGKRZSA-N 1 0 308.341 2.464 20 10 DECDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001576382798 1066583689 /nfs/dbraw/zinc/58/36/89/1066583689.db2.gz DPSUROAXCWCXFZ-UBGXNCCGSA-N 1 0 316.401 2.004 20 10 DECDRO CC1(C)CCN(C(=O)NCc2ccc(N)cc2)CC(C)(C)[NH2+]1 ZINC001576440909 1066607120 /nfs/dbraw/zinc/60/71/20/1066607120.db2.gz WUTYXNPFDLOJDC-UHFFFAOYSA-N 1 0 304.438 2.331 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+][C@@H]1C ZINC001577737139 1066917321 /nfs/dbraw/zinc/91/73/21/1066917321.db2.gz SLVCITXQRKZWSY-CJNGLKHVSA-N 1 0 304.438 2.035 20 10 DECDRO COc1ccc(CN[C@H](CC[NH3+])C(F)F)cc1Cn1cccn1 ZINC001579216308 1067261093 /nfs/dbraw/zinc/26/10/93/1067261093.db2.gz NJHIVDVICHGPRE-CQSZACIVSA-N 1 0 324.375 2.012 20 10 DECDRO COc1ccc(N2CCC(N[C@H](CC[NH3+])C(F)F)CC2)cc1 ZINC001579224385 1067264453 /nfs/dbraw/zinc/26/44/53/1067264453.db2.gz HKRKPZURQPNGFT-OAHLLOKOSA-N 1 0 313.392 2.236 20 10 DECDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC001580158808 1067512781 /nfs/dbraw/zinc/51/27/81/1067512781.db2.gz XAJLWTKUANSUNH-QLJPJBMISA-N 1 0 318.398 2.266 20 10 DECDRO [NH3+][C@@H]1CCSC2(CC(C(=O)NCc3ccccc3O)C2)C1 ZINC001580200735 1067522214 /nfs/dbraw/zinc/52/22/14/1067522214.db2.gz UAWZMWCRRIPOFB-MFOWVQHXSA-N 1 0 306.431 2.012 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c1O ZINC001272660777 1079067898 /nfs/dbraw/zinc/06/78/98/1079067898.db2.gz WCHZLKUJYOCSNA-UHFFFAOYSA-N 1 0 318.417 2.241 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001587223273 1076414392 /nfs/dbraw/zinc/41/43/92/1076414392.db2.gz JGVVTRIOOKAMIO-GWCFXTLKSA-N 1 0 303.366 2.062 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnco2)cc1C ZINC001267996704 1079675560 /nfs/dbraw/zinc/67/55/60/1079675560.db2.gz MBHKPGIDPKUUKQ-GFCCVEGCSA-N 1 0 317.389 2.147 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCCC23OCCO3)c(O)c1OC ZINC001653245882 1079920568 /nfs/dbraw/zinc/92/05/68/1079920568.db2.gz CMEYIMVXNKCGTB-CQSZACIVSA-N 1 0 323.389 2.185 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CC(=O)N(C)C1=O ZINC001658980962 1080224800 /nfs/dbraw/zinc/22/48/00/1080224800.db2.gz OVGGUNVPMCWPQM-MRXNPFEDSA-N 1 0 317.433 2.030 20 10 DECDRO CC(C)[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001661197963 1080454417 /nfs/dbraw/zinc/45/44/17/1080454417.db2.gz VCLOOJZJDKWLNC-CQSZACIVSA-N 1 0 317.393 2.355 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](OC)C2CC2)cc1C ZINC001662207995 1080583622 /nfs/dbraw/zinc/58/36/22/1080583622.db2.gz UEEMMKHOOFAHKS-GUYCJALGSA-N 1 0 320.433 2.023 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC001664600307 1080931894 /nfs/dbraw/zinc/93/18/94/1080931894.db2.gz BTCZQRMZPFADBQ-TVQRCGJNSA-N 1 0 300.196 2.357 20 10 DECDRO CC(C)[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667669363 1081272624 /nfs/dbraw/zinc/27/26/24/1081272624.db2.gz RVZPHRGIIXQTQZ-UHFFFAOYSA-N 1 0 305.382 2.261 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cocn2)cc1C ZINC001482817324 1082521961 /nfs/dbraw/zinc/52/19/61/1082521961.db2.gz URFQWOVPEZHGRG-CYBMUJFWSA-N 1 0 317.389 2.290 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cocn2)cc1C ZINC001482817325 1082522139 /nfs/dbraw/zinc/52/21/39/1082522139.db2.gz URFQWOVPEZHGRG-ZDUSSCGKSA-N 1 0 317.389 2.290 20 10 DECDRO Oc1cc(O)c(CN2CC3(CC[N@@H+]3C3CCCC3)C2)cc1O ZINC001276516637 1083477962 /nfs/dbraw/zinc/47/79/62/1083477962.db2.gz KUXFANHVKNFBJR-UHFFFAOYSA-N 1 0 304.390 2.006 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001276592968 1083503066 /nfs/dbraw/zinc/50/30/66/1083503066.db2.gz BDNHPXNZVCKKRQ-GASCZTMLSA-N 1 0 321.852 2.065 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276790874 1083613327 /nfs/dbraw/zinc/61/33/27/1083613327.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 1 0 320.433 2.327 20 10 DECDRO CN1C[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3O)C[C@H](C1)O2 ZINC001276804667 1083621151 /nfs/dbraw/zinc/62/11/51/1083621151.db2.gz JUJDGHABBNHIJD-PHIMTYICSA-N 1 0 317.216 2.214 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C)C2)cc1 ZINC001276960261 1083701230 /nfs/dbraw/zinc/70/12/30/1083701230.db2.gz BCUURCQSHBTNIJ-KRWDZBQOSA-N 1 0 315.461 2.443 20 10 DECDRO O=C([C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CC=CC1 ZINC001277445379 1083973801 /nfs/dbraw/zinc/97/38/01/1083973801.db2.gz DOVVAASWRHDFLF-INIZCTEOSA-N 1 0 312.413 2.393 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277567396 1084040270 /nfs/dbraw/zinc/04/02/70/1084040270.db2.gz GJQFFJXOEDJJFU-CQSZACIVSA-N 1 0 302.418 2.437 20 10 DECDRO C=CC(=O)OC[C@H](C)Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001234657946 1084190839 /nfs/dbraw/zinc/19/08/39/1084190839.db2.gz NQZXKENIBPYOSU-HNNXBMFYSA-N 1 0 318.417 2.325 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235115737 1084315204 /nfs/dbraw/zinc/31/52/04/1084315204.db2.gz KBUVRYFIUFJLNM-LJQANCHMSA-N 1 0 315.461 2.241 20 10 DECDRO CN1CCOc2cc(CN3CCCC[C@@]34CC[NH2+]C4)ccc21 ZINC001235119476 1084316624 /nfs/dbraw/zinc/31/66/24/1084316624.db2.gz KEZHVMMFAPBTRO-SFHVURJKSA-N 1 0 301.434 2.233 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(OC)c1 ZINC001235978450 1084579027 /nfs/dbraw/zinc/57/90/27/1084579027.db2.gz JGKVUYIHRJKWIW-YJBOKZPZSA-N 1 0 303.450 2.465 20 10 DECDRO Cn1ccc2c1nccc2-c1ccc(N2CC[NH+](C)CC2)nc1 ZINC001235981023 1084581755 /nfs/dbraw/zinc/58/17/55/1084581755.db2.gz ZXCOJEWIPFLMOW-UHFFFAOYSA-N 1 0 307.401 2.387 20 10 DECDRO COC(=O)c1c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c2ccccc2n1C ZINC001236078789 1084607130 /nfs/dbraw/zinc/60/71/30/1084607130.db2.gz HCFZSYVFBXEAIT-STQMWFEESA-N 1 0 315.417 2.147 20 10 DECDRO CCCN(Cc1cc(C(=O)OCC)n[nH]1)c1ccc(C[NH3+])cc1 ZINC001329507896 1148906108 /nfs/dbraw/zinc/90/61/08/1148906108.db2.gz SPCGUSRVCVEADX-UHFFFAOYSA-N 1 0 316.405 2.462 20 10 DECDRO C[C@H](CNCc1c(O)cccc1Br)C[NH+](C)C ZINC000706863862 1086653795 /nfs/dbraw/zinc/65/37/95/1086653795.db2.gz UJEVQKVXQCDEFX-SNVBAGLBSA-N 1 0 301.228 2.442 20 10 DECDRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001351741079 1151605292 /nfs/dbraw/zinc/60/52/92/1151605292.db2.gz CIVNTYAUJSJXKZ-RHSMWYFYSA-N 1 0 319.449 2.027 20 10 DECDRO CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001274687282 1091369145 /nfs/dbraw/zinc/36/91/45/1091369145.db2.gz ZLSQKEGWOPAORQ-KGLIPLIRSA-N 1 0 308.422 2.023 20 10 DECDRO Oc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001275266905 1091643557 /nfs/dbraw/zinc/64/35/57/1091643557.db2.gz FERRLDJUGNSEKW-AEFFLSMTSA-N 1 0 302.418 2.220 20 10 DECDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236786343 1138427149 /nfs/dbraw/zinc/42/71/49/1138427149.db2.gz AROHXSKEQWYSBQ-ZBFHGGJFSA-N 1 0 302.418 2.397 20 10 DECDRO CCc1ccc(C[N@H+](CCOC)C2CCN(C)CC2)c(O)c1 ZINC001236788740 1138427932 /nfs/dbraw/zinc/42/79/32/1138427932.db2.gz OCYYPWWHXQSYRC-UHFFFAOYSA-N 1 0 306.450 2.497 20 10 DECDRO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC001236789439 1138428036 /nfs/dbraw/zinc/42/80/36/1138428036.db2.gz WWERLDQYWIQLGP-OAHLLOKOSA-N 1 0 305.422 2.190 20 10 DECDRO CCc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001236788793 1138428859 /nfs/dbraw/zinc/42/88/59/1138428859.db2.gz QLOOAZMOTIAHGX-OKILXGFUSA-N 1 0 304.434 2.248 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236797920 1138430932 /nfs/dbraw/zinc/43/09/32/1138430932.db2.gz DXOJIDHLGWCHKK-NSHDSACASA-N 1 0 319.232 2.461 20 10 DECDRO COc1cc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(Cl)c1 ZINC001236807799 1138435916 /nfs/dbraw/zinc/43/59/16/1138435916.db2.gz JRSPHOIXOYFXCH-BDJLRTHQSA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236835980 1138441612 /nfs/dbraw/zinc/44/16/12/1138441612.db2.gz VVSTTWYZNHJPTA-INIZCTEOSA-N 1 0 315.369 2.309 20 10 DECDRO OCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236925842 1138458399 /nfs/dbraw/zinc/45/83/99/1138458399.db2.gz YJWPLVNOVSKZTC-UHFFFAOYSA-N 1 0 324.852 2.381 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1 ZINC001237044724 1138487157 /nfs/dbraw/zinc/48/71/57/1138487157.db2.gz MZDSTWZGYQFKFB-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO CC(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)c1 ZINC001237054527 1138491518 /nfs/dbraw/zinc/49/15/18/1138491518.db2.gz BUWYCOVKXSLNBF-UHFFFAOYSA-N 1 0 303.406 2.163 20 10 DECDRO CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CN(C)C1 ZINC001237059130 1138492658 /nfs/dbraw/zinc/49/26/58/1138492658.db2.gz DUSSNIXSUDFLBH-UHFFFAOYSA-N 1 0 318.339 2.469 20 10 DECDRO COc1cc(O)c(CN(C)[C@H]2CCOC2)c(Br)c1 ZINC001237068587 1138494256 /nfs/dbraw/zinc/49/42/56/1138494256.db2.gz SVWQEFGGJMIRTA-VIFPVBQESA-N 1 0 316.195 2.384 20 10 DECDRO CCCC[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237203078 1138531110 /nfs/dbraw/zinc/53/11/10/1138531110.db2.gz PLYWUBDRVKSSEI-UHFFFAOYSA-N 1 0 310.463 2.153 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c(OC)c1 ZINC001237670548 1138746685 /nfs/dbraw/zinc/74/66/85/1138746685.db2.gz SULPOZRFJKOULP-MLGOLLRUSA-N 1 0 307.390 2.410 20 10 DECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237675228 1138748454 /nfs/dbraw/zinc/74/84/54/1138748454.db2.gz CJFRURWFQBAHFO-NEPJUHHUSA-N 1 0 323.389 2.183 20 10 DECDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237811665 1138799563 /nfs/dbraw/zinc/79/95/63/1138799563.db2.gz BQNWMXUOLIGBDE-UHFFFAOYSA-N 1 0 317.836 2.110 20 10 DECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)CCS1 ZINC001238066810 1138819623 /nfs/dbraw/zinc/81/96/23/1138819623.db2.gz LWDWQCNNZDABMN-CYBMUJFWSA-N 1 0 313.394 2.320 20 10 DECDRO CC(C)(C)NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278254987 1138861111 /nfs/dbraw/zinc/86/11/11/1138861111.db2.gz KWOIMPMSHINRFK-YVEFUNNKSA-N 1 0 306.381 2.410 20 10 DECDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001278290512 1138999612 /nfs/dbraw/zinc/99/96/12/1138999612.db2.gz PYPCYOWYYSWOHT-MXSMSXNCSA-N 1 0 314.429 2.214 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc(CC3(O)C[NH2+]C3)n2)cc1 ZINC001247792620 1141516792 /nfs/dbraw/zinc/51/67/92/1141516792.db2.gz UFNLTOWJAQKDDA-UHFFFAOYSA-N 1 0 324.384 2.021 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001249171491 1141856674 /nfs/dbraw/zinc/85/66/74/1141856674.db2.gz CMGONZLMXHFXFM-NVXWUHKLSA-N 1 0 319.401 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c(O)c1 ZINC001249215104 1141859678 /nfs/dbraw/zinc/85/96/78/1141859678.db2.gz VZYILSCSWVATOA-HNNXBMFYSA-N 1 0 307.390 2.107 20 10 DECDRO CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001324577356 1142116842 /nfs/dbraw/zinc/11/68/42/1142116842.db2.gz XRRMETUJXZEMDU-KRWDZBQOSA-N 1 0 319.449 2.027 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC001251247369 1142409211 /nfs/dbraw/zinc/40/92/11/1142409211.db2.gz DAFQQCOEWOBNTH-KRWDZBQOSA-N 1 0 300.402 2.282 20 10 DECDRO [NH3+]CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001336762984 1142562431 /nfs/dbraw/zinc/56/24/31/1142562431.db2.gz LCKIJMYVEUDBDH-MRXNPFEDSA-N 1 0 316.449 2.167 20 10 DECDRO CC1([NH+]2CCCC2)CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337070322 1142675131 /nfs/dbraw/zinc/67/51/31/1142675131.db2.gz MRDQVFUROUTRRV-UHFFFAOYSA-N 1 0 316.449 2.429 20 10 DECDRO CC(C)(O)C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001252356902 1142692289 /nfs/dbraw/zinc/69/22/89/1142692289.db2.gz MXOWTDNLPHUBBG-UHFFFAOYSA-N 1 0 318.339 2.478 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1C ZINC001338310284 1142847023 /nfs/dbraw/zinc/84/70/23/1142847023.db2.gz RBYRWVBVEZNEPO-INIZCTEOSA-N 1 0 305.418 2.372 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)c(O)c1 ZINC001341082112 1143536790 /nfs/dbraw/zinc/53/67/90/1143536790.db2.gz YJEDZTWYJHZBJZ-RCBQFDQVSA-N 1 0 318.417 2.328 20 10 DECDRO COC[C@@H](C)N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001255561604 1143751123 /nfs/dbraw/zinc/75/11/23/1143751123.db2.gz DCHDCDKSRNSQJW-NXOUGTEYSA-N 1 0 316.401 2.463 20 10 DECDRO Nc1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001342698197 1143831218 /nfs/dbraw/zinc/83/12/18/1143831218.db2.gz BASUJMPIEHWHQW-KRWDZBQOSA-N 1 0 309.413 2.407 20 10 DECDRO Oc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1O ZINC001256582881 1143855560 /nfs/dbraw/zinc/85/55/60/1143855560.db2.gz OENITBXEDFZTSN-UHFFFAOYSA-N 1 0 313.401 2.247 20 10 DECDRO COC(=O)CC[C@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258359648 1143995842 /nfs/dbraw/zinc/99/58/42/1143995842.db2.gz VJXYJBOTBHOMPJ-AWEZNQCLSA-N 1 0 320.433 2.288 20 10 DECDRO COc1cc(C[NH+]2CCC3(CC2)COCCO3)c(O)cc1C ZINC001262054199 1144288022 /nfs/dbraw/zinc/28/80/22/1144288022.db2.gz YOARJDBCLOLGNQ-UHFFFAOYSA-N 1 0 307.390 2.091 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001262560573 1144319266 /nfs/dbraw/zinc/31/92/66/1144319266.db2.gz UTTWDDDEWGQDHN-GOSISDBHSA-N 1 0 316.449 2.180 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC2(C)C)c(C)n1-c1ccccn1 ZINC001263240681 1144362808 /nfs/dbraw/zinc/36/28/08/1144362808.db2.gz RVSMSETZCNIFNF-HNNXBMFYSA-N 1 0 312.417 2.217 20 10 DECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)O1 ZINC001324849339 1147852878 /nfs/dbraw/zinc/85/28/78/1147852878.db2.gz RIHMMEMLEZNNDF-ZBFHGGJFSA-N 1 0 321.440 2.235 20 10 DECDRO C[NH2+][C@H](C)CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC001325624762 1147967448 /nfs/dbraw/zinc/96/74/48/1147967448.db2.gz FZJSNJJQRJEVNW-SECBINFHSA-N 1 0 317.227 2.251 20 10 DECDRO C[C@H]([NH2+]CCOCCCO)c1cc(Br)ccc1O ZINC001325888397 1148014773 /nfs/dbraw/zinc/01/47/73/1148014773.db2.gz RWBHFRQPBLDDOC-JTQLQIEISA-N 1 0 318.211 2.204 20 10 DECDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326051258 1148035418 /nfs/dbraw/zinc/03/54/18/1148035418.db2.gz SWDUCUOLHLSPKC-MRXNPFEDSA-N 1 0 301.434 2.197 20 10 DECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCC(F)(F)F ZINC001326624170 1148168002 /nfs/dbraw/zinc/16/80/02/1148168002.db2.gz YMQWRFLPZLYJRT-WPRPVWTQSA-N 1 0 302.296 2.036 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000093016915 193194679 /nfs/dbraw/zinc/19/46/79/193194679.db2.gz RLHLGLZAAXHXJO-GOSISDBHSA-N 1 0 317.477 2.297 20 10 DECDRO Cc1cccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000294688298 224168829 /nfs/dbraw/zinc/16/88/29/224168829.db2.gz BPHSNSARLDSSJP-AWEZNQCLSA-N 1 0 324.421 2.018 20 10 DECDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000295018324 533216897 /nfs/dbraw/zinc/21/68/97/533216897.db2.gz KIAADBMRQJGDTH-KRWDZBQOSA-N 1 0 307.390 2.021 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC000294967999 224345007 /nfs/dbraw/zinc/34/50/07/224345007.db2.gz LMJFPECRXXPPSW-GOSISDBHSA-N 1 0 304.434 2.259 20 10 DECDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273452783 130124107 /nfs/dbraw/zinc/12/41/07/130124107.db2.gz GHTFBEIRNKDRCS-SJCJKPOMSA-N 1 0 315.417 2.389 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273620699 130145115 /nfs/dbraw/zinc/14/51/15/130145115.db2.gz YZSNPLNINDGRPF-XGNXJENSSA-N 1 0 306.406 2.499 20 10 DECDRO CCOC(=O)[C@](C)(O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000274594129 130247513 /nfs/dbraw/zinc/24/75/13/130247513.db2.gz KTSBLPMKQKDZBW-GOSISDBHSA-N 1 0 322.449 2.277 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1O ZINC000285095979 131138175 /nfs/dbraw/zinc/13/81/75/131138175.db2.gz QIAYQJLTBZZNHW-WMLDXEAASA-N 1 0 300.358 2.416 20 10 DECDRO Cc1cccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000289203895 131365370 /nfs/dbraw/zinc/36/53/70/131365370.db2.gz BOJVCBWWHSLACA-ZDUSSCGKSA-N 1 0 318.339 2.053 20 10 DECDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298162990 132048913 /nfs/dbraw/zinc/04/89/13/132048913.db2.gz PUDAKCOMBGCQIA-QGZVFWFLSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H]1[C@H](C)SCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299392011 132103479 /nfs/dbraw/zinc/10/34/79/132103479.db2.gz UGSDBNAMSZEEJJ-KGLIPLIRSA-N 1 0 321.490 2.195 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCc1ccco1 ZINC000111399660 401714773 /nfs/dbraw/zinc/71/47/73/401714773.db2.gz WGVDAUSKIQJEHC-GFCCVEGCSA-N 1 0 300.358 2.009 20 10 DECDRO CC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccccc1O ZINC000038035351 401921448 /nfs/dbraw/zinc/92/14/48/401921448.db2.gz BLJFLHZBYLYXFJ-AWEZNQCLSA-N 1 0 314.451 2.105 20 10 DECDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000038047421 401921735 /nfs/dbraw/zinc/92/17/35/401921735.db2.gz IXPJSCNSZSCSKN-UHFFFAOYSA-N 1 0 310.463 2.201 20 10 DECDRO Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000093769703 402020769 /nfs/dbraw/zinc/02/07/69/402020769.db2.gz CPNRIHPYOMVBMD-UHFFFAOYSA-N 1 0 306.450 2.491 20 10 DECDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184881504 402306459 /nfs/dbraw/zinc/30/64/59/402306459.db2.gz WMGRPQPIKIHPNU-VIFPVBQESA-N 1 0 315.211 2.332 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@]2(O)CCSC2)ccc1OC ZINC000176751480 402333709 /nfs/dbraw/zinc/33/37/09/402333709.db2.gz ZCDYTURPPMYXOC-MRXNPFEDSA-N 1 0 311.447 2.189 20 10 DECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177420893 402400379 /nfs/dbraw/zinc/40/03/79/402400379.db2.gz NAIRHHYJMJWRFT-MRXNPFEDSA-N 1 0 309.337 2.119 20 10 DECDRO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000187032931 402479226 /nfs/dbraw/zinc/47/92/26/402479226.db2.gz DQOBDVFBHUSWIM-OAHLLOKOSA-N 1 0 314.385 2.439 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1OC ZINC000179443711 402590152 /nfs/dbraw/zinc/59/01/52/402590152.db2.gz HGURVHZKTCVECD-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO COCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179820641 402600922 /nfs/dbraw/zinc/60/09/22/402600922.db2.gz KOISWOBHJRKELA-UHFFFAOYSA-N 1 0 320.433 2.065 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000262863561 402735590 /nfs/dbraw/zinc/73/55/90/402735590.db2.gz UKVSYULGDIPWCZ-BLLLJJGKSA-N 1 0 312.417 2.217 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc2ccccc2c1O ZINC000273365585 402998410 /nfs/dbraw/zinc/99/84/10/402998410.db2.gz BJFVIMUJTBWMNI-HOCLYGCPSA-N 1 0 313.445 2.442 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096032 403048021 /nfs/dbraw/zinc/04/80/21/403048021.db2.gz CTSQMPAVAKGBAF-SUMWQHHRSA-N 1 0 316.449 2.035 20 10 DECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000281172443 403059700 /nfs/dbraw/zinc/05/97/00/403059700.db2.gz PZWPNBCICRIKGQ-LBPRGKRZSA-N 1 0 323.458 2.499 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000282507787 403155521 /nfs/dbraw/zinc/15/55/21/403155521.db2.gz YQZDTXPLZBSYRQ-GOSISDBHSA-N 1 0 315.369 2.161 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000269955932 403178264 /nfs/dbraw/zinc/17/82/64/403178264.db2.gz SSZYLZQTUDWKBL-HKUYNNGSSA-N 1 0 314.429 2.327 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1F ZINC000271146297 403269232 /nfs/dbraw/zinc/26/92/32/403269232.db2.gz IDWDFZIRQLNZBB-AWEZNQCLSA-N 1 0 308.397 2.477 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000271202641 403278356 /nfs/dbraw/zinc/27/83/56/403278356.db2.gz XZPPUQYMNHYPDD-INIZCTEOSA-N 1 0 321.440 2.046 20 10 DECDRO Cc1ccoc1CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000292081415 403285563 /nfs/dbraw/zinc/28/55/63/403285563.db2.gz DLGKIOVIJMLFAM-UHFFFAOYSA-N 1 0 315.417 2.402 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1F ZINC000292689796 403373847 /nfs/dbraw/zinc/37/38/47/403373847.db2.gz NJNLTHWWMUIHON-CABCVRRESA-N 1 0 310.413 2.301 20 10 DECDRO CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+](C)C ZINC000298684592 403439961 /nfs/dbraw/zinc/43/99/61/403439961.db2.gz USTUFVITGBXGFW-CVEARBPZSA-N 1 0 320.433 2.240 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1OC ZINC000293635217 403524381 /nfs/dbraw/zinc/52/43/81/403524381.db2.gz LROYFARAPQYTTA-KRWDZBQOSA-N 1 0 309.406 2.440 20 10 DECDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294206096 403672534 /nfs/dbraw/zinc/67/25/34/403672534.db2.gz YCDHOXRTYZVHOV-QGZVFWFLSA-N 1 0 307.390 2.351 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294305056 403698643 /nfs/dbraw/zinc/69/86/43/403698643.db2.gz XEJDZJIKDVIBSF-QAPCUYQASA-N 1 0 304.434 2.441 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1OC ZINC000295116762 403764581 /nfs/dbraw/zinc/76/45/81/403764581.db2.gz MONWRWKRFXFQQP-AWEZNQCLSA-N 1 0 321.348 2.372 20 10 DECDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000295232806 403805325 /nfs/dbraw/zinc/80/53/25/403805325.db2.gz XBPYVFNUFKMCHF-SFHVURJKSA-N 1 0 320.433 2.073 20 10 DECDRO COCC[N@H+](Cc1ccccn1)Cc1cccc(OC)c1O ZINC000289881322 404006041 /nfs/dbraw/zinc/00/60/41/404006041.db2.gz SBCSRJAWFRVLOM-UHFFFAOYSA-N 1 0 302.374 2.444 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(O)c1 ZINC000363870650 404233427 /nfs/dbraw/zinc/23/34/27/404233427.db2.gz WMTMKUYGHHLJCH-KBPBESRZSA-N 1 0 300.406 2.364 20 10 DECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000291736497 404498600 /nfs/dbraw/zinc/49/86/00/404498600.db2.gz RJJMZDNTEXKBRA-CYBMUJFWSA-N 1 0 323.437 2.320 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000297319126 404551862 /nfs/dbraw/zinc/55/18/62/404551862.db2.gz ZNORXDYPHLBPRV-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1C ZINC000527768447 406744453 /nfs/dbraw/zinc/74/44/53/406744453.db2.gz AJLHYJXOYJHCRH-LJQANCHMSA-N 1 0 313.397 2.465 20 10 DECDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c(O)c1 ZINC000373465582 533678412 /nfs/dbraw/zinc/67/84/12/533678412.db2.gz LRVJZSRTUIMLJC-UHFFFAOYSA-N 1 0 324.384 2.486 20 10 DECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000295856025 225316677 /nfs/dbraw/zinc/31/66/77/225316677.db2.gz FEHLFLHUPDFYAH-BMGDILEWSA-N 1 0 304.434 2.477 20 10 DECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000377721198 227197896 /nfs/dbraw/zinc/19/78/96/227197896.db2.gz SRRGRMLUELJSBX-WFASDCNBSA-N 1 0 310.825 2.341 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1OC ZINC000378130021 227207967 /nfs/dbraw/zinc/20/79/67/227207967.db2.gz MXPHXEZTBQXALG-KRWDZBQOSA-N 1 0 309.406 2.250 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000423081114 230343178 /nfs/dbraw/zinc/34/31/78/230343178.db2.gz BEVUFYIZVBBYSF-UKRRQHHQSA-N 1 0 301.434 2.343 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ncccn1 ZINC000269491703 276002901 /nfs/dbraw/zinc/00/29/01/276002901.db2.gz ZBMIYULHSQVBEE-CYBMUJFWSA-N 1 0 314.389 2.421 20 10 DECDRO C[NH2+]CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001349818845 1151290714 /nfs/dbraw/zinc/29/07/14/1151290714.db2.gz YGVBSESWGAFZNV-ZDUSSCGKSA-N 1 0 314.385 2.481 20 10 DECDRO CC(C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](C)[NH3+] ZINC000567052039 334606416 /nfs/dbraw/zinc/60/64/16/334606416.db2.gz KRONGJODHGSEMA-WBMJQRKESA-N 1 0 305.422 2.097 20 10 DECDRO Nc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001357792377 1152338716 /nfs/dbraw/zinc/33/87/16/1152338716.db2.gz WAVKUDYDZIAWEQ-INIZCTEOSA-N 1 0 302.422 2.039 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418103928 533971641 /nfs/dbraw/zinc/97/16/41/533971641.db2.gz XAXUVXFXVCZNBF-DOMZBBRYSA-N 1 0 314.433 2.284 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCNC(=O)c2ccco2)cc1 ZINC000835036070 649869868 /nfs/dbraw/zinc/86/98/68/649869868.db2.gz MVCSGBHAJKSRDF-HWKANZROSA-N 1 0 313.401 2.378 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000179930232 520939109 /nfs/dbraw/zinc/93/91/09/520939109.db2.gz PTFULEPAIBXLQS-UHFFFAOYSA-N 1 0 308.378 2.065 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181066925 521599134 /nfs/dbraw/zinc/59/91/34/521599134.db2.gz SRKSKVLEPYYVGP-KGXGESDWSA-N 1 0 304.390 2.102 20 10 DECDRO COC(=O)C[C@](C)([NH2+]Cc1cc(F)ccc1O)c1ccncc1 ZINC000190022606 523359840 /nfs/dbraw/zinc/35/98/40/523359840.db2.gz PGYSAESFYIYLLS-KRWDZBQOSA-N 1 0 318.348 2.494 20 10 DECDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000262603495 524084791 /nfs/dbraw/zinc/08/47/91/524084791.db2.gz YISBCWUXMXCOCF-HNNXBMFYSA-N 1 0 312.417 2.219 20 10 DECDRO COc1cccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000271164275 526032876 /nfs/dbraw/zinc/03/28/76/526032876.db2.gz AXGOLQYCJAACIY-OAHLLOKOSA-N 1 0 305.349 2.233 20 10 DECDRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000131082830 526243587 /nfs/dbraw/zinc/24/35/87/526243587.db2.gz UWNFFKVIKLZOIE-OAHLLOKOSA-N 1 0 312.417 2.443 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000131006100 526362712 /nfs/dbraw/zinc/36/27/12/526362712.db2.gz OFCYOCKTVUODGB-ZDUSSCGKSA-N 1 0 310.825 2.200 20 10 DECDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180276587 527466027 /nfs/dbraw/zinc/46/60/27/527466027.db2.gz ODLUAIZFHJZUOW-MLGOLLRUSA-N 1 0 319.380 2.210 20 10 DECDRO Cc1cc(O)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000822210579 599404162 /nfs/dbraw/zinc/40/41/62/599404162.db2.gz IROXRYDKPYWIAZ-UHFFFAOYSA-N 1 0 309.373 2.479 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000840894127 625653445 /nfs/dbraw/zinc/65/34/45/625653445.db2.gz PISGRIVPABIMSN-UONOGXRCSA-N 1 0 312.479 2.015 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)C23CC(C2)C3)[NH+](C)C)cc1 ZINC000891245284 623789140 /nfs/dbraw/zinc/78/91/40/623789140.db2.gz BWCOZEKLNVRYHD-MNQCNDSGSA-N 1 0 301.434 2.272 20 10 DECDRO Cc1cc[nH]c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249095 623795939 /nfs/dbraw/zinc/79/59/39/623795939.db2.gz PORGFSHWBHXBEG-INIZCTEOSA-N 1 0 314.433 2.422 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)C2CC=CC2)[NH+](C)C)cc1 ZINC000891250486 623795952 /nfs/dbraw/zinc/79/59/52/623795952.db2.gz AGYLFRDOWJHVMJ-KRWDZBQOSA-N 1 0 301.434 2.438 20 10 DECDRO COc1ccc(C[NH2+]CCNc2cccc(C)n2)c(O)c1OC ZINC000893361028 625682771 /nfs/dbraw/zinc/68/27/71/625682771.db2.gz MJDLZRNARRCFJK-UHFFFAOYSA-N 1 0 317.389 2.315 20 10 DECDRO COc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c(O)c1OC ZINC000891723192 624560459 /nfs/dbraw/zinc/56/04/59/624560459.db2.gz JSTKOWHQHNXGEE-HNNXBMFYSA-N 1 0 320.433 2.470 20 10 DECDRO CC1(C)COCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921674965 634400876 /nfs/dbraw/zinc/40/08/76/634400876.db2.gz OSGSVXFZPXNFGV-UHFFFAOYSA-N 1 0 304.434 2.212 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000840919406 625728141 /nfs/dbraw/zinc/72/81/41/625728141.db2.gz FNYSAKRONCRTNR-MSOLQXFVSA-N 1 0 304.434 2.441 20 10 DECDRO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921634342 633833664 /nfs/dbraw/zinc/83/36/64/633833664.db2.gz TZMDMTDCHSQVSZ-HNNXBMFYSA-N 1 0 312.417 2.270 20 10 DECDRO O=C(NCCc1ccc(O)c(O)c1)C1C[NH+](C2CCCCC2)C1 ZINC000837483030 650204530 /nfs/dbraw/zinc/20/45/30/650204530.db2.gz YUQJSFZVCFIINR-UHFFFAOYSA-N 1 0 318.417 2.021 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840960397 635776949 /nfs/dbraw/zinc/77/69/49/635776949.db2.gz KQLODXZLWCTOAP-UHFFFAOYSA-N 1 0 312.479 2.364 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922144362 635893526 /nfs/dbraw/zinc/89/35/26/635893526.db2.gz SXQCTTIDOVWLIA-NVXWUHKLSA-N 1 0 323.458 2.457 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840978824 636014443 /nfs/dbraw/zinc/01/44/43/636014443.db2.gz WLJKSKAIWRCKOS-LLVKDONJSA-N 1 0 315.822 2.384 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)C(OC)OC)cc1Cn1cccn1 ZINC000922314127 636079931 /nfs/dbraw/zinc/07/99/31/636079931.db2.gz VEEZHQWYRGDLCA-CYBMUJFWSA-N 1 0 319.405 2.037 20 10 DECDRO COc1cccc(O)c1CNCc1nc(CN(C)C)cs1 ZINC000922490756 636203382 /nfs/dbraw/zinc/20/33/82/636203382.db2.gz FPPUKICJRMKGHQ-UHFFFAOYSA-N 1 0 307.419 2.209 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2CC(CC(N)=O)C2)cc1F ZINC000922514171 636213138 /nfs/dbraw/zinc/21/31/38/636213138.db2.gz USZYVMFNLGHWIU-UHFFFAOYSA-N 1 0 307.413 2.416 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2CCCN(CC)C2=O)ccc1OC ZINC000922639110 636290828 /nfs/dbraw/zinc/29/08/28/636290828.db2.gz HVVILAWYYWSMAG-INIZCTEOSA-N 1 0 320.433 2.332 20 10 DECDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)CO ZINC000814169240 636418873 /nfs/dbraw/zinc/41/88/73/636418873.db2.gz FSQKJQINBJNLRX-SECBINFHSA-N 1 0 318.211 2.366 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCN2CCCCC2=O)c1O ZINC000894242614 636534233 /nfs/dbraw/zinc/53/42/33/636534233.db2.gz QFJMYQKAEURSLI-UHFFFAOYSA-N 1 0 306.406 2.201 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000186759167 636558517 /nfs/dbraw/zinc/55/85/17/636558517.db2.gz HEPRNEOXRSFNEE-AWEZNQCLSA-N 1 0 318.348 2.270 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000319754108 636690132 /nfs/dbraw/zinc/69/01/32/636690132.db2.gz SFFJVQMYVVPZGL-MRXNPFEDSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000894286593 636696164 /nfs/dbraw/zinc/69/61/64/636696164.db2.gz PHUPQWBPYUNFRO-BMFZPTHFSA-N 1 0 316.449 2.017 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1c(O)cccc1F ZINC000923308025 637099832 /nfs/dbraw/zinc/09/98/32/637099832.db2.gz ZGZYWDCPMDEYLZ-CYBMUJFWSA-N 1 0 323.412 2.451 20 10 DECDRO COc1ccc(C[NH2+]CCO[C@H]2CCCCO2)c(O)c1OC ZINC000894561369 637101278 /nfs/dbraw/zinc/10/12/78/637101278.db2.gz NDMWIFWGHOTNCU-AWEZNQCLSA-N 1 0 311.378 2.042 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCc3cn[nH]c3)CC2)cc1 ZINC000838799482 637653166 /nfs/dbraw/zinc/65/31/66/637653166.db2.gz QXUXAGHJDKWWAS-UHFFFAOYSA-N 1 0 300.406 2.173 20 10 DECDRO c1cnc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000838903610 637690598 /nfs/dbraw/zinc/69/05/98/637690598.db2.gz AROFEHOFKUVKBT-UHFFFAOYSA-N 1 0 300.431 2.320 20 10 DECDRO CCn1ncc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000838927673 637718493 /nfs/dbraw/zinc/71/84/93/637718493.db2.gz TZSWLQJODDJXMJ-UHFFFAOYSA-N 1 0 315.421 2.065 20 10 DECDRO COc1ccc(CN(C)CC[NH+]2CCCCC2)c(O)c1OC ZINC000895188728 637769736 /nfs/dbraw/zinc/76/97/36/637769736.db2.gz RAWMBCCFCYMTJF-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN(C=O)CC1 ZINC000840893235 650372593 /nfs/dbraw/zinc/37/25/93/650372593.db2.gz HCVWEJWOQYETCK-HNNXBMFYSA-N 1 0 303.450 2.202 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000840894124 650372881 /nfs/dbraw/zinc/37/28/81/650372881.db2.gz PISGRIVPABIMSN-KBPBESRZSA-N 1 0 312.479 2.015 20 10 DECDRO COc1ccc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000741246461 637955360 /nfs/dbraw/zinc/95/53/60/637955360.db2.gz YHNPCIGZBUYJHE-SFHVURJKSA-N 1 0 320.433 2.013 20 10 DECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000741259798 637957317 /nfs/dbraw/zinc/95/73/17/637957317.db2.gz BDFYDCAJGAEBLQ-KRWDZBQOSA-N 1 0 316.401 2.248 20 10 DECDRO COc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c(O)c1OC ZINC000895396571 637999826 /nfs/dbraw/zinc/99/98/26/637999826.db2.gz JYPWJMYUUUHXJF-UHFFFAOYSA-N 1 0 307.390 2.050 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNC(=O)c1ccco1 ZINC000840929244 650387659 /nfs/dbraw/zinc/38/76/59/650387659.db2.gz OAXMETLPPWCFSZ-UHFFFAOYSA-N 1 0 301.390 2.174 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000840938469 650390294 /nfs/dbraw/zinc/39/02/94/650390294.db2.gz GAXJKYHBOMJCKH-UHFFFAOYSA-N 1 0 303.406 2.135 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000895688603 638146051 /nfs/dbraw/zinc/14/60/51/638146051.db2.gz PJWHWNUHCYZXAQ-XYPYZODXSA-N 1 0 303.811 2.019 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000840964607 650396547 /nfs/dbraw/zinc/39/65/47/650396547.db2.gz YQNYPQNCEGELIX-ODMBXXLQSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1F ZINC000840976004 650399152 /nfs/dbraw/zinc/39/91/52/650399152.db2.gz CJRCQGUFJHMFFA-UHFFFAOYSA-N 1 0 323.456 2.434 20 10 DECDRO COc1c(O)c(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895927080 638269908 /nfs/dbraw/zinc/26/99/08/638269908.db2.gz LVJSQGABOUWFLF-JQWIXIFHSA-N 1 0 310.350 2.308 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCCN3)CC2)cc1 ZINC000841033556 650410004 /nfs/dbraw/zinc/41/00/04/650410004.db2.gz VHSFYDDLWZWQIT-INIZCTEOSA-N 1 0 303.450 2.396 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000745856415 638294237 /nfs/dbraw/zinc/29/42/37/638294237.db2.gz CLWBGEBHBBQCIX-GDBMZVCRSA-N 1 0 318.465 2.377 20 10 DECDRO COc1cc(C[NH2+]CCc2ccc(N)cc2)cc2c1OCO2 ZINC000841037786 650411008 /nfs/dbraw/zinc/41/10/08/650411008.db2.gz XLDRZKCUQFYPOM-UHFFFAOYSA-N 1 0 300.358 2.338 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3ccccc3n2C)cc1 ZINC000841044658 650412890 /nfs/dbraw/zinc/41/28/90/650412890.db2.gz XGHHRORMRSIPGO-INIZCTEOSA-N 1 0 323.444 2.429 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1OC ZINC000896299015 638455016 /nfs/dbraw/zinc/45/50/16/638455016.db2.gz OGXIRVCNRIYGOL-UHFFFAOYSA-N 1 0 317.389 2.160 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1 ZINC000841099630 650430761 /nfs/dbraw/zinc/43/07/61/650430761.db2.gz UISRJXMBFXRYMX-GOSISDBHSA-N 1 0 305.466 2.391 20 10 DECDRO C[C@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCCC[C@H]1C ZINC000748458673 638558347 /nfs/dbraw/zinc/55/83/47/638558347.db2.gz AKPHBPCSVUGKQR-ZIAGYGMSSA-N 1 0 305.422 2.454 20 10 DECDRO CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000749295966 638632861 /nfs/dbraw/zinc/63/28/61/638632861.db2.gz CZYXZGAGNMIRCK-OAHLLOKOSA-N 1 0 305.374 2.385 20 10 DECDRO CSC1(CNC(=O)Nc2ccc(N)cc2)CC[NH+](C)CC1 ZINC000841299971 650471151 /nfs/dbraw/zinc/47/11/51/650471151.db2.gz OXEVUCJQWFBUTQ-UHFFFAOYSA-N 1 0 308.451 2.218 20 10 DECDRO O=C1N[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CO1 ZINC000897027294 639131561 /nfs/dbraw/zinc/13/15/61/639131561.db2.gz QYWKFKKUSZTQQC-CYBMUJFWSA-N 1 0 310.781 2.366 20 10 DECDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000897173566 639219939 /nfs/dbraw/zinc/21/99/39/639219939.db2.gz XLBXPAAUHOGPSN-OAHLLOKOSA-N 1 0 321.417 2.154 20 10 DECDRO CC(=O)OC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000753795010 639342769 /nfs/dbraw/zinc/34/27/69/639342769.db2.gz GPSKBXNWCBEPPD-UHFFFAOYSA-N 1 0 300.358 2.468 20 10 DECDRO C[N@H+](CCC1OCCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000754641551 639454181 /nfs/dbraw/zinc/45/41/81/639454181.db2.gz DXEYNNFPVXJDDE-UHFFFAOYSA-N 1 0 320.433 2.108 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000754742118 639468321 /nfs/dbraw/zinc/46/83/21/639468321.db2.gz QBFFVVDNWNQJCD-INIZCTEOSA-N 1 0 320.433 2.006 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CN(C)C[C@@H]3C)CC2)cc1 ZINC000756113311 639627228 /nfs/dbraw/zinc/62/72/28/639627228.db2.gz GZWYYMKLIGMSFG-KSSFIOAISA-N 1 0 303.450 2.204 20 10 DECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756355350 639654094 /nfs/dbraw/zinc/65/40/94/639654094.db2.gz MURVFYIIDSJTQY-IUCAKERBSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2O ZINC000756474967 639665223 /nfs/dbraw/zinc/66/52/23/639665223.db2.gz FHTINGHRXIPVGR-VXNVDRBHSA-N 1 0 320.286 2.348 20 10 DECDRO CCC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000756618134 639679725 /nfs/dbraw/zinc/67/97/25/639679725.db2.gz RHVCXRRZOFTDOK-GFCCVEGCSA-N 1 0 306.406 2.452 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CCO)CCOC2)c2c1c(F)ccc2O ZINC000756654607 639682193 /nfs/dbraw/zinc/68/21/93/639682193.db2.gz LBVQQAZBKWLJEJ-CJBNDPTMSA-N 1 0 309.381 2.458 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)N(C)C ZINC000756737770 639691118 /nfs/dbraw/zinc/69/11/18/639691118.db2.gz YRRSOQCRXKZLIO-DTWKUNHWSA-N 1 0 315.211 2.282 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)cc1 ZINC000839669666 639798399 /nfs/dbraw/zinc/79/83/99/639798399.db2.gz AABGAWMYKCYTDD-OAHLLOKOSA-N 1 0 322.474 2.481 20 10 DECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840826022 639846128 /nfs/dbraw/zinc/84/61/28/639846128.db2.gz FHXWTNPHUJXHNA-LJUAHTATSA-N 1 0 316.195 2.219 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000841651877 650530439 /nfs/dbraw/zinc/53/04/39/650530439.db2.gz BXEDDHGBGXPWSI-SFHVURJKSA-N 1 0 316.449 2.038 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000757926013 639895596 /nfs/dbraw/zinc/89/55/96/639895596.db2.gz IYJXDFBMPODNAR-HNNXBMFYSA-N 1 0 315.797 2.412 20 10 DECDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710516 650548179 /nfs/dbraw/zinc/54/81/79/650548179.db2.gz XPBILLJDAKPJFR-YOEHRIQHSA-N 1 0 316.449 2.084 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000841716918 650549609 /nfs/dbraw/zinc/54/96/09/650549609.db2.gz FXXSAVMFHFNKQE-AWEZNQCLSA-N 1 0 306.454 2.459 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000841718509 650550568 /nfs/dbraw/zinc/55/05/68/650550568.db2.gz UCAXLPOQUCMYKY-INIZCTEOSA-N 1 0 306.454 2.315 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759425 650558454 /nfs/dbraw/zinc/55/84/54/650558454.db2.gz NUXGHVQYHZVLSX-MRXNPFEDSA-N 1 0 318.465 2.242 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841761282 650558624 /nfs/dbraw/zinc/55/86/24/650558624.db2.gz ONSPGVITXGMFHU-GXTWGEPZSA-N 1 0 322.428 2.161 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000841794127 650565304 /nfs/dbraw/zinc/56/53/04/650565304.db2.gz UNMUYOSQCDOQCG-IHWYPQMZSA-N 1 0 316.449 2.237 20 10 DECDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794249 650565578 /nfs/dbraw/zinc/56/55/78/650565578.db2.gz VVWSHZUPBPCRSN-HNNXBMFYSA-N 1 0 318.465 2.412 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841793692 650565584 /nfs/dbraw/zinc/56/55/84/650565584.db2.gz OSZXXBLQLPEVPA-MRXNPFEDSA-N 1 0 316.449 2.166 20 10 DECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761223897 640287441 /nfs/dbraw/zinc/28/74/41/640287441.db2.gz UHKUAPMUWRXVJD-OCCSQVGLSA-N 1 0 315.797 2.338 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000841826298 650572328 /nfs/dbraw/zinc/57/23/28/650572328.db2.gz GVMZROKOCAAHQU-WMLDXEAASA-N 1 0 318.465 2.472 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N(C)CC[NH3+])cc2)CC1 ZINC000841794591 650566400 /nfs/dbraw/zinc/56/64/00/650566400.db2.gz ZPKMBGMHTRIAME-UHFFFAOYSA-N 1 0 304.438 2.023 20 10 DECDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000841827116 650573156 /nfs/dbraw/zinc/57/31/56/650573156.db2.gz LPPMHAQRFPQLHG-KRWDZBQOSA-N 1 0 318.465 2.345 20 10 DECDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc2ccccc2c1O ZINC000762788763 640459654 /nfs/dbraw/zinc/45/96/54/640459654.db2.gz QOCDXNQFCKESBM-SCLBCKFNSA-N 1 0 300.402 2.263 20 10 DECDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841881725 650590979 /nfs/dbraw/zinc/59/09/79/650590979.db2.gz UKSMWZFJJXTYGT-IHRRRGAJSA-N 1 0 304.438 2.205 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841882907 650592116 /nfs/dbraw/zinc/59/21/16/650592116.db2.gz PIAFVVXFXWVAKT-HZSPNIEDSA-N 1 0 304.438 2.192 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841890840 650594471 /nfs/dbraw/zinc/59/44/71/650594471.db2.gz KRIYITSSHHZVDH-MRXNPFEDSA-N 1 0 318.465 2.231 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841893280 650595781 /nfs/dbraw/zinc/59/57/81/650595781.db2.gz CHTXPDJLKNQQME-LBPRGKRZSA-N 1 0 300.349 2.220 20 10 DECDRO COc1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)c(O)c1 ZINC000841916642 650601831 /nfs/dbraw/zinc/60/18/31/650601831.db2.gz KIPZRZPFMBXROW-UHFFFAOYSA-N 1 0 321.421 2.252 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841929647 650605081 /nfs/dbraw/zinc/60/50/81/650605081.db2.gz ZBYUQGGAZSNAJA-MRXNPFEDSA-N 1 0 318.465 2.284 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000841930698 650605116 /nfs/dbraw/zinc/60/51/16/650605116.db2.gz VXGNHHJDWNLJMB-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841929872 650605241 /nfs/dbraw/zinc/60/52/41/650605241.db2.gz XNNGFFWZETYZHH-AGIUHOORSA-N 1 0 321.421 2.149 20 10 DECDRO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765332342 640767160 /nfs/dbraw/zinc/76/71/60/640767160.db2.gz WJAUTHVMLBANQR-VKJFTORMSA-N 1 0 303.450 2.124 20 10 DECDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765332341 640767164 /nfs/dbraw/zinc/76/71/64/640767164.db2.gz WJAUTHVMLBANQR-RVKKMQEKSA-N 1 0 303.450 2.124 20 10 DECDRO CCc1cccc(C[NH+]2CCC(CN3CCNC3=O)CC2)c1O ZINC000897580839 640819105 /nfs/dbraw/zinc/81/91/05/640819105.db2.gz XYMPYLIUMPVWQR-UHFFFAOYSA-N 1 0 317.433 2.192 20 10 DECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955313 650611137 /nfs/dbraw/zinc/61/11/37/650611137.db2.gz ZANPWRYLUARYGD-INIZCTEOSA-N 1 0 318.465 2.185 20 10 DECDRO CN(C(=O)NCCc1ccc(N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000841962642 650614186 /nfs/dbraw/zinc/61/41/86/650614186.db2.gz QCNKTPOYASREJT-SJPCQFCGSA-N 1 0 316.449 2.078 20 10 DECDRO Nc1ccc(CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000841955892 650611982 /nfs/dbraw/zinc/61/19/82/650611982.db2.gz QSNFHEQRLXCDKL-KRWDZBQOSA-N 1 0 316.449 2.081 20 10 DECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956513 650612125 /nfs/dbraw/zinc/61/21/25/650612125.db2.gz GHQJGNCKUXGUKY-RHSMWYFYSA-N 1 0 316.449 2.080 20 10 DECDRO O=S1(=O)C[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]2C1 ZINC000897619348 640870067 /nfs/dbraw/zinc/87/00/67/640870067.db2.gz UCXRGWIALKHXBB-OKILXGFUSA-N 1 0 317.410 2.022 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000766369001 640873629 /nfs/dbraw/zinc/87/36/29/640873629.db2.gz GLEGTXWMOLCPDQ-UHFFFAOYSA-N 1 0 314.376 2.482 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841976785 650618037 /nfs/dbraw/zinc/61/80/37/650618037.db2.gz NYBDKPDKRCDGSA-YOEHRIQHSA-N 1 0 318.465 2.282 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000841979531 650618901 /nfs/dbraw/zinc/61/89/01/650618901.db2.gz UNNQIXMWWPPAKC-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000841980744 650618920 /nfs/dbraw/zinc/61/89/20/650618920.db2.gz FEZHYLQWXTZPCU-KBPBESRZSA-N 1 0 317.433 2.340 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897809086 640940328 /nfs/dbraw/zinc/94/03/28/640940328.db2.gz HBSIFQUBQDOKGM-QXJJFIIZSA-N 1 0 310.191 2.420 20 10 DECDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897844248 640951564 /nfs/dbraw/zinc/95/15/64/640951564.db2.gz GWYLFQVPXVRYML-MWLCHTKSSA-N 1 0 320.414 2.477 20 10 DECDRO C[C@H]([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841989622 650621010 /nfs/dbraw/zinc/62/10/10/650621010.db2.gz VUCSEADPFDBHDR-LBPRGKRZSA-N 1 0 303.362 2.044 20 10 DECDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1cc3c(cc1O)OCO3)CCO2 ZINC000897976484 640992936 /nfs/dbraw/zinc/99/29/36/640992936.db2.gz AKLKEHXZJHPBDQ-SJORKVTESA-N 1 0 321.373 2.286 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768437958 641081412 /nfs/dbraw/zinc/08/14/12/641081412.db2.gz LCVFOBHYOIYWBQ-KRWDZBQOSA-N 1 0 315.369 2.459 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466273 641086036 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CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989837484 641246982 /nfs/dbraw/zinc/24/69/82/641246982.db2.gz CXGYMBVZRVBEBS-RISCZKNCSA-N 1 0 317.393 2.450 20 10 DECDRO CCCN(CCC)c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769564975 641260816 /nfs/dbraw/zinc/26/08/16/641260816.db2.gz RVBOJSHHZNULPW-HDICACEKSA-N 1 0 306.450 2.241 20 10 DECDRO CCn1nc(C)c(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000841043682 641451566 /nfs/dbraw/zinc/45/15/66/641451566.db2.gz QAINFLPTKNAPNC-SFHVURJKSA-N 1 0 315.465 2.375 20 10 DECDRO C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000926978918 641551479 /nfs/dbraw/zinc/55/14/79/641551479.db2.gz JOAPXPZGNGOXBA-STQMWFEESA-N 1 0 302.418 2.448 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]CCc2nnnn2C)cc1 ZINC000771877768 641564732 /nfs/dbraw/zinc/56/47/32/641564732.db2.gz STJOAAQFXFRAJD-UHFFFAOYSA-N 1 0 316.453 2.169 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]CC[C@H]2CCOC2)N(C)C)cc1 ZINC000898449611 641660765 /nfs/dbraw/zinc/66/07/65/641660765.db2.gz IBJJNIHJRVLSDB-MAUKXSAKSA-N 1 0 305.466 2.372 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(CO)o2)N(C)C)cc1 ZINC000898450289 641661950 /nfs/dbraw/zinc/66/19/50/641661950.db2.gz ACOINESLWNAESU-SFHVURJKSA-N 1 0 317.433 2.230 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](CCO)C3CC3)CC2)cc1 ZINC000773012953 641716296 /nfs/dbraw/zinc/71/62/96/641716296.db2.gz LJHXKFCZUPYUOB-GOSISDBHSA-N 1 0 304.434 2.415 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](CO)CC3CC3)CC2)cc1 ZINC000773101393 641729035 /nfs/dbraw/zinc/72/90/35/641729035.db2.gz CGCAHXVXZVVGHP-INIZCTEOSA-N 1 0 304.434 2.415 20 10 DECDRO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000773363072 641765148 /nfs/dbraw/zinc/76/51/48/641765148.db2.gz FFSWTDACYQHVQQ-ZDUSSCGKSA-N 1 0 304.438 2.207 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000773884239 641836522 /nfs/dbraw/zinc/83/65/22/641836522.db2.gz KNQQLYGVNFGXSQ-MRXNPFEDSA-N 1 0 319.493 2.420 20 10 DECDRO CCn1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cn1 ZINC000774885066 641977042 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C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776236620 642148451 /nfs/dbraw/zinc/14/84/51/642148451.db2.gz ADBPUTQLZNRBJM-CQSZACIVSA-N 1 0 306.454 2.407 20 10 DECDRO CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000776494264 642178169 /nfs/dbraw/zinc/17/81/69/642178169.db2.gz CQTWVDXQAQCBOR-SFHVURJKSA-N 1 0 318.461 2.410 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000776520551 642180325 /nfs/dbraw/zinc/18/03/25/642180325.db2.gz AMVHDTUMNYTKER-HUUCEWRRSA-N 1 0 318.465 2.407 20 10 DECDRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000778234358 642358223 /nfs/dbraw/zinc/35/82/23/642358223.db2.gz KAUFVQDWYLYHPJ-ZWNOBZJWSA-N 1 0 321.373 2.287 20 10 DECDRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000778234349 642358242 /nfs/dbraw/zinc/35/82/42/642358242.db2.gz KAUFVQDWYLYHPJ-GWCFXTLKSA-N 1 0 321.373 2.287 20 10 DECDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000779219042 642473819 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C[NH+]1CCN(c2ccc(CN3CCCc4n[nH]cc43)cc2)CC1 ZINC000811497088 646536863 /nfs/dbraw/zinc/53/68/63/646536863.db2.gz IHWWGVCFXPHYKP-UHFFFAOYSA-N 1 0 311.433 2.114 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171159721 646688632 /nfs/dbraw/zinc/68/86/32/646688632.db2.gz CTUWLIPRIPQDBT-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c1 ZINC000813330682 646757188 /nfs/dbraw/zinc/75/71/88/646757188.db2.gz CUMTYMKPKAYTSM-LLVKDONJSA-N 1 0 317.389 2.282 20 10 DECDRO C[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000151670776 646996270 /nfs/dbraw/zinc/99/62/70/646996270.db2.gz VFNIFCFTIJWREG-UHFFFAOYSA-N 1 0 314.480 2.019 20 10 DECDRO CC(C)[NH+](CCNC(=O)NCc1c(O)cccc1F)C(C)C ZINC000913859246 647070963 /nfs/dbraw/zinc/07/09/63/647070963.db2.gz NPRZPGLEJHCNQE-UHFFFAOYSA-N 1 0 311.401 2.449 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816478884 647139749 /nfs/dbraw/zinc/13/97/49/647139749.db2.gz WDULQXHVTPFJNH-INIZCTEOSA-N 1 0 300.402 2.308 20 10 DECDRO Cn1c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2oc1=O ZINC000816545446 647149702 /nfs/dbraw/zinc/14/97/02/647149702.db2.gz RDWCBWNHHZSGTO-UHFFFAOYSA-N 1 0 310.353 2.356 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816556445 647151740 /nfs/dbraw/zinc/15/17/40/647151740.db2.gz IZLKYJVDRIROAY-HNNXBMFYSA-N 1 0 313.401 2.439 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000816639569 647162138 /nfs/dbraw/zinc/16/21/38/647162138.db2.gz WYTWNNNQMKKPAW-SNVBAGLBSA-N 1 0 304.346 2.361 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000817178868 647237625 /nfs/dbraw/zinc/23/76/25/647237625.db2.gz NXDVZFFBPWVRSV-UHFFFAOYSA-N 1 0 318.465 2.425 20 10 DECDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1=O ZINC000817409998 647288265 /nfs/dbraw/zinc/28/82/65/647288265.db2.gz HJQDKYIUOKFKIH-QWHCGFSZSA-N 1 0 306.406 2.310 20 10 DECDRO CCOCc1cc(C[NH2+]C2CCN(OC)CC2)ccc1OC ZINC000817418966 647290953 /nfs/dbraw/zinc/29/09/53/647290953.db2.gz MMPOHLVHMSZPIT-UHFFFAOYSA-N 1 0 308.422 2.347 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C[C@H](O)CO)C(C)C)cc1F ZINC000817417947 647291291 /nfs/dbraw/zinc/29/12/91/647291291.db2.gz VKSSZBZCMGYIOB-HNNXBMFYSA-N 1 0 312.429 2.236 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000817934996 647386860 /nfs/dbraw/zinc/38/68/60/647386860.db2.gz SCLVUURAFUEALC-JZXOWHBKSA-N 1 0 319.493 2.349 20 10 DECDRO CC(C)[C@@H](C(=O)NCCCSc1nccs1)[C@H](C)[NH3+] ZINC000817940547 647388129 /nfs/dbraw/zinc/38/81/29/647388129.db2.gz JSLJUZBJJUGAPM-WDEREUQCSA-N 1 0 301.481 2.361 20 10 DECDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817952011 647391523 /nfs/dbraw/zinc/39/15/23/647391523.db2.gz MTSRSXHHDWOCAZ-HIFRSBDPSA-N 1 0 307.413 2.065 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000817964419 647394979 /nfs/dbraw/zinc/39/49/79/647394979.db2.gz BZSXFOSCHROVPJ-LBPRGKRZSA-N 1 0 306.406 2.219 20 10 DECDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000817997806 647402916 /nfs/dbraw/zinc/40/29/16/647402916.db2.gz XRSUPOKSQZGQHO-MLGOLLRUSA-N 1 0 302.418 2.275 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nccn3C)C2)cc1 ZINC000818220082 647434561 /nfs/dbraw/zinc/43/45/61/647434561.db2.gz IWYXMKQBKFVPJQ-AWEZNQCLSA-N 1 0 300.406 2.045 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCn4ccnc43)C2)cc1 ZINC000818341818 647456425 /nfs/dbraw/zinc/45/64/25/647456425.db2.gz GZQDAVNZLHAMBJ-YOEHRIQHSA-N 1 0 312.417 2.453 20 10 DECDRO CC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966746 647551537 /nfs/dbraw/zinc/55/15/37/647551537.db2.gz OAGCFQTYFUXOPT-GUTXKFCHSA-N 1 0 310.413 2.300 20 10 DECDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997104 647561664 /nfs/dbraw/zinc/56/16/64/647561664.db2.gz RPPJAUPNOFPFEU-INIZCTEOSA-N 1 0 314.341 2.353 20 10 DECDRO COc1ccc(N2CC[C@@H](CNc3cc(C)[nH+]c(N)n3)C2)cc1 ZINC000819934358 647743256 /nfs/dbraw/zinc/74/32/56/647743256.db2.gz FDBMRCNLRBVKFE-ZDUSSCGKSA-N 1 0 313.405 2.314 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820394553 647836607 /nfs/dbraw/zinc/83/66/07/647836607.db2.gz FULSRGJBRUJGDT-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO CC/C=C(/F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918839402 648110659 /nfs/dbraw/zinc/11/06/59/648110659.db2.gz SHZVMMNJTPQIBZ-AYSLTRBKSA-N 1 0 305.397 2.318 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823474758 648428855 /nfs/dbraw/zinc/42/88/55/648428855.db2.gz PHJAZBNZWVAXGU-AWEZNQCLSA-N 1 0 317.393 2.404 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000823949036 648503643 /nfs/dbraw/zinc/50/36/43/648503643.db2.gz UXUUQYOIAPVHKW-UHFFFAOYSA-N 1 0 321.465 2.368 20 10 DECDRO CCc1nnc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000824445470 648590087 /nfs/dbraw/zinc/59/00/87/648590087.db2.gz AAYGIGZYWBCVJZ-UHFFFAOYSA-N 1 0 315.421 2.134 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]21 ZINC000824893187 648668096 /nfs/dbraw/zinc/66/80/96/648668096.db2.gz NAVIUVUBTDKRIY-MFKMUULPSA-N 1 0 311.223 2.291 20 10 DECDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000825045463 648691563 /nfs/dbraw/zinc/69/15/63/648691563.db2.gz FGEMYWXPZAFKGM-CZUORRHYSA-N 1 0 305.353 2.275 20 10 DECDRO COC[C@](C)(CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000825331207 648743216 /nfs/dbraw/zinc/74/32/16/648743216.db2.gz KKBFCTZJMGEGPN-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO C/C(=C/C(=O)N(CC[NH+](C)C)c1ccccc1)c1cnccn1 ZINC000825510713 648773097 /nfs/dbraw/zinc/77/30/97/648773097.db2.gz FNFMRRMPLWRQII-SQFISAMPSA-N 1 0 310.401 2.475 20 10 DECDRO CCC[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825664657 648795656 /nfs/dbraw/zinc/79/56/56/648795656.db2.gz IBXKJXTYABDZBW-UHFFFAOYSA-N 1 0 310.369 2.089 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000825963223 648831844 /nfs/dbraw/zinc/83/18/44/648831844.db2.gz IEXWOQDOCPOELW-FICVDOATSA-N 1 0 305.418 2.368 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000826130010 648853643 /nfs/dbraw/zinc/85/36/43/648853643.db2.gz CUUUPMIRCXZCKK-OLZOCXBDSA-N 1 0 312.841 2.241 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000182405871 648901119 /nfs/dbraw/zinc/90/11/19/648901119.db2.gz KLCOERPMKXTGNG-ZIAGYGMSSA-N 1 0 317.385 2.491 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000826846555 648936207 /nfs/dbraw/zinc/93/62/07/648936207.db2.gz WAWHRIPQNKXVRZ-GFCCVEGCSA-N 1 0 306.797 2.468 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@]2(COC)C(=O)OC)c1O ZINC000827487990 649041825 /nfs/dbraw/zinc/04/18/25/649041825.db2.gz BHSTWWMKRKRKAM-KRWDZBQOSA-N 1 0 307.390 2.109 20 10 DECDRO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000827488436 649042001 /nfs/dbraw/zinc/04/20/01/649042001.db2.gz HEWKGOFPGZLLRR-KRWDZBQOSA-N 1 0 307.390 2.163 20 10 DECDRO Oc1cccc(Cl)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699541 649071123 /nfs/dbraw/zinc/07/11/23/649071123.db2.gz IKZRYEHQEDRGEY-CYBMUJFWSA-N 1 0 310.825 2.077 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000183461330 649081579 /nfs/dbraw/zinc/08/15/79/649081579.db2.gz HDDXVTTVCCYNEG-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000828667648 649208049 /nfs/dbraw/zinc/20/80/49/649208049.db2.gz STYZUYXLVPBRFS-KNXALSJPSA-N 1 0 318.417 2.214 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(C)=O)CC2)c1O ZINC000184684849 649342894 /nfs/dbraw/zinc/34/28/94/649342894.db2.gz GZNQJPDEALDDNN-UHFFFAOYSA-N 1 0 312.797 2.155 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000829764583 649351993 /nfs/dbraw/zinc/35/19/93/649351993.db2.gz PQTMIQJGWYZKKN-ZWKOTPCHSA-N 1 0 315.461 2.313 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597421 649465847 /nfs/dbraw/zinc/46/58/47/649465847.db2.gz ICMKUAFGMZFTKR-ZBFHGGJFSA-N 1 0 302.418 2.275 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCCCCC[NH3+] ZINC000831132390 649541704 /nfs/dbraw/zinc/54/17/04/649541704.db2.gz AKEGVWGICBMTII-UHFFFAOYSA-N 1 0 306.454 2.379 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831753121 649638499 /nfs/dbraw/zinc/63/84/99/649638499.db2.gz IMCVXQGZDUGPPD-KSSFIOAISA-N 1 0 319.449 2.155 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000832267480 649690465 /nfs/dbraw/zinc/69/04/65/649690465.db2.gz SXNFOUMKWFFEMH-VVLHAWIVSA-N 1 0 301.434 2.305 20 10 DECDRO CC[C@@H]1C[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCO1 ZINC000832283694 649691901 /nfs/dbraw/zinc/69/19/01/649691901.db2.gz ADZKTTYMIWQIIF-DJIMGWMZSA-N 1 0 319.449 2.074 20 10 DECDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834668384 649828138 /nfs/dbraw/zinc/82/81/38/649828138.db2.gz LHIQLXHZGSBDJG-MCIONIFRSA-N 1 0 309.431 2.325 20 10 DECDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000844177321 651086508 /nfs/dbraw/zinc/08/65/08/651086508.db2.gz IYHNUWBFFORTDV-CZUORRHYSA-N 1 0 301.434 2.073 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC23CCCC3)cc1 ZINC000844357127 651116789 /nfs/dbraw/zinc/11/67/89/651116789.db2.gz DQBNLDFLKIGTKC-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000844892827 651180254 /nfs/dbraw/zinc/18/02/54/651180254.db2.gz JMRTZOYYLFABLV-UONOGXRCSA-N 1 0 323.824 2.472 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000845010520 651193206 /nfs/dbraw/zinc/19/32/06/651193206.db2.gz MPMBHTTUSRTDRP-GXFFZTMASA-N 1 0 311.813 2.328 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C[N@@H+]1C1CC1 ZINC000845030299 651195434 /nfs/dbraw/zinc/19/54/34/651195434.db2.gz UUXDUDUVMJTVTJ-ZWNOBZJWSA-N 1 0 323.824 2.470 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000846074142 651306613 /nfs/dbraw/zinc/30/66/13/651306613.db2.gz VPGGIRVUIQLKCT-CQSZACIVSA-N 1 0 301.434 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000846150861 651311221 /nfs/dbraw/zinc/31/12/21/651311221.db2.gz RSANPXXLYSXVKE-STQMWFEESA-N 1 0 305.374 2.496 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1O ZINC000846151084 651311298 /nfs/dbraw/zinc/31/12/98/651311298.db2.gz UYYMMKTZNHSWCG-NSHDSACASA-N 1 0 315.435 2.265 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000846170339 651312856 /nfs/dbraw/zinc/31/28/56/651312856.db2.gz XFRMCSCFKRIWTF-SGMGOOAPSA-N 1 0 304.390 2.205 20 10 DECDRO O=C(NCCCSc1nccs1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846671479 651344493 /nfs/dbraw/zinc/34/44/93/651344493.db2.gz UFNURZLCXWKTME-NWDGAFQWSA-N 1 0 311.476 2.272 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[NH2+]CC3)ccc21 ZINC000846672786 651344649 /nfs/dbraw/zinc/34/46/49/651344649.db2.gz KRHPRBHEBIKBMV-HNNXBMFYSA-N 1 0 301.434 2.075 20 10 DECDRO CC[N@H+](C)C[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776554 651350934 /nfs/dbraw/zinc/35/09/34/651350934.db2.gz REVJTBXIDRUHBO-GOSISDBHSA-N 1 0 305.466 2.030 20 10 DECDRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(O)c1O ZINC000848352148 651453902 /nfs/dbraw/zinc/45/39/02/651453902.db2.gz LUGIZXYEBZGDON-UONOGXRCSA-N 1 0 304.390 2.153 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848415031 651457264 /nfs/dbraw/zinc/45/72/64/651457264.db2.gz QMYJMZXNRJYYPT-SJLPKXTDSA-N 1 0 301.434 2.067 20 10 DECDRO [NH3+]C[C@@H](NCc1cc(Br)ccc1O)C(F)(F)F ZINC000848716377 651496158 /nfs/dbraw/zinc/49/61/58/651496158.db2.gz XNRQCPAKJMTFIU-SECBINFHSA-N 1 0 313.117 2.134 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000848913812 651558905 /nfs/dbraw/zinc/55/89/05/651558905.db2.gz FPNLZTMMQCSKNX-CYBMUJFWSA-N 1 0 311.447 2.211 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000848929820 651565865 /nfs/dbraw/zinc/56/58/65/651565865.db2.gz JKSYKEAGHJMXCM-QGZVFWFLSA-N 1 0 304.434 2.387 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])NCC3CCC3)C2)cc1 ZINC000849043411 651592840 /nfs/dbraw/zinc/59/28/40/651592840.db2.gz BZRDBJAQDWSSLS-HNNXBMFYSA-N 1 0 316.449 2.436 20 10 DECDRO CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855491099 651709819 /nfs/dbraw/zinc/70/98/19/651709819.db2.gz NQABBXFAUPMSRU-IZPAUZPXSA-N 1 0 304.390 2.054 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000850144316 651841847 /nfs/dbraw/zinc/84/18/47/651841847.db2.gz JCYUVFLBROKHMF-GMTAPVOTSA-N 1 0 300.449 2.413 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(C)n3C)C2)cc1 ZINC000850329777 651900174 /nfs/dbraw/zinc/90/01/74/651900174.db2.gz FBDCYVHSTGHQNU-HNNXBMFYSA-N 1 0 314.433 2.353 20 10 DECDRO CO[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000850344020 651904022 /nfs/dbraw/zinc/90/40/22/651904022.db2.gz ZZNFUSQLZUZWJR-ZFTGLFDFSA-N 1 0 304.434 2.407 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)n[nH]c3C)C2)cc1 ZINC000850345907 651904852 /nfs/dbraw/zinc/90/48/52/651904852.db2.gz NKRVSTDJUIDPML-AWEZNQCLSA-N 1 0 300.406 2.404 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(Cl)cnn3C)C2)cc1 ZINC000850346716 651904959 /nfs/dbraw/zinc/90/49/59/651904959.db2.gz INSLVSTZQIHNDQ-LBPRGKRZSA-N 1 0 320.824 2.451 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cncc(OC)c3)C2)cc1 ZINC000850347783 651905479 /nfs/dbraw/zinc/90/54/79/651905479.db2.gz XKZCXFLRHNYXHA-OAHLLOKOSA-N 1 0 313.401 2.467 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367690 651912298 /nfs/dbraw/zinc/91/22/98/651912298.db2.gz OUTGIFBQHYYZNH-MRXNPFEDSA-N 1 0 302.418 2.324 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(Cl)c1 ZINC000850369455 651913709 /nfs/dbraw/zinc/91/37/09/651913709.db2.gz KOAWVURQXOYDKW-GHMZBOCLSA-N 1 0 317.838 2.409 20 10 DECDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000850493374 651938847 /nfs/dbraw/zinc/93/88/47/651938847.db2.gz GLGSIZWEPSVGHZ-SWLSCSKDSA-N 1 0 309.406 2.493 20 10 DECDRO O=[S@@](CC[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000850495203 651939947 /nfs/dbraw/zinc/93/99/47/651939947.db2.gz YGNKMQARPRPSIR-SBKAZYGRSA-N 1 0 307.337 2.280 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(C)n1-c1ccccn1 ZINC000857009269 652026467 /nfs/dbraw/zinc/02/64/67/652026467.db2.gz XRTNOLRZPPZPDC-HNAYVOBHSA-N 1 0 324.428 2.443 20 10 DECDRO O=C1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CN1 ZINC000851840607 652254985 /nfs/dbraw/zinc/25/49/85/652254985.db2.gz INVIBXLOPAFWJU-CYBMUJFWSA-N 1 0 300.358 2.124 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCOC[C@@H]2CCOC2)cc1F ZINC000858132976 652261464 /nfs/dbraw/zinc/26/14/64/652261464.db2.gz MVUSSTOBEWNSQW-GFCCVEGCSA-N 1 0 314.376 2.174 20 10 DECDRO CC1(C)OCC([NH2+]Cc2c(O)cccc2Br)CO1 ZINC000858156581 652267692 /nfs/dbraw/zinc/26/76/92/652267692.db2.gz KRDQGYGMUUBQQR-UHFFFAOYSA-N 1 0 316.195 2.396 20 10 DECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172981 652271539 /nfs/dbraw/zinc/27/15/39/652271539.db2.gz MZHDDELNIRQFDL-BZNIZROVSA-N 1 0 314.376 2.172 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1F ZINC000858184510 652274597 /nfs/dbraw/zinc/27/45/97/652274597.db2.gz RIRSKILHTROIGC-NSHDSACASA-N 1 0 323.387 2.131 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1F ZINC000858228015 652284737 /nfs/dbraw/zinc/28/47/37/652284737.db2.gz XGVZHGYZSMLCMK-SJORKVTESA-N 1 0 310.413 2.301 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000858311258 652302404 /nfs/dbraw/zinc/30/24/04/652302404.db2.gz HUQJUMDTNPMWHW-GJZGRUSLSA-N 1 0 305.422 2.373 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H](C)CC)cc2=O ZINC000852289964 652378433 /nfs/dbraw/zinc/37/84/33/652378433.db2.gz BUWNFCQXNMCQRJ-LLVKDONJSA-N 1 0 320.393 2.232 20 10 DECDRO Cc1cc(C[NH+]2CCC(N3CCOC3=O)CC2)ccc1N(C)C ZINC000852720451 652443587 /nfs/dbraw/zinc/44/35/87/652443587.db2.gz GSYFMGAVZNMKAN-UHFFFAOYSA-N 1 0 317.433 2.478 20 10 DECDRO Cc1ccoc1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792039 652457962 /nfs/dbraw/zinc/45/79/62/652457962.db2.gz PMVNWGDBRIPLKD-OAHLLOKOSA-N 1 0 301.390 2.013 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852860419 652471295 /nfs/dbraw/zinc/47/12/95/652471295.db2.gz QOYGUGATCBUBCD-UHFFFAOYSA-N 1 0 301.434 2.459 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000853595224 652575767 /nfs/dbraw/zinc/57/57/67/652575767.db2.gz YKFJWIWHZFUKIL-CQSZACIVSA-N 1 0 318.417 2.154 20 10 DECDRO C[C@H](CCNC(=O)NCCCSc1nccs1)[NH+](C)C ZINC000853856145 652613314 /nfs/dbraw/zinc/61/33/14/652613314.db2.gz RGRCPBGVJAIRMD-LLVKDONJSA-N 1 0 316.496 2.265 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cnccc3N)C2)cc1 ZINC000854216665 652659074 /nfs/dbraw/zinc/65/90/74/652659074.db2.gz CBGAIEUOTDONHH-UONOGXRCSA-N 1 0 312.417 2.432 20 10 DECDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000388353108 685428159 /nfs/dbraw/zinc/42/81/59/685428159.db2.gz PHHINOCFXVNCQQ-RDTXWAMCSA-N 1 0 304.434 2.426 20 10 DECDRO CN(C)CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000393558204 685452949 /nfs/dbraw/zinc/45/29/49/685452949.db2.gz GPPJYZPDTAYSDA-UHFFFAOYSA-N 1 0 303.450 2.097 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc2c(cc1O)CCCC2 ZINC000858522625 685553844 /nfs/dbraw/zinc/55/38/44/685553844.db2.gz GYBDTIZXZDKEFP-BBRMVZONSA-N 1 0 304.434 2.252 20 10 DECDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858545220 685556102 /nfs/dbraw/zinc/55/61/02/685556102.db2.gz KOWMVIAMTYIFSR-KCQAQPDRSA-N 1 0 308.397 2.084 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1cc(Cl)ccc1O ZINC000858579955 685560768 /nfs/dbraw/zinc/56/07/68/685560768.db2.gz IYUYJBUCZNMKHN-JOYOIKCWSA-N 1 0 300.786 2.495 20 10 DECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000858587397 685564355 /nfs/dbraw/zinc/56/43/55/685564355.db2.gz MUUSPOSBDHGILU-NWDGAFQWSA-N 1 0 306.406 2.330 20 10 DECDRO COc1ccc(N(C)CCN(C)c2cc[nH+]c(CO)c2)cc1 ZINC000858604570 685566911 /nfs/dbraw/zinc/56/69/11/685566911.db2.gz INXUQJMUSBUAFE-UHFFFAOYSA-N 1 0 301.390 2.155 20 10 DECDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000039519480 683887647 /nfs/dbraw/zinc/88/76/47/683887647.db2.gz GHUHGWLMDSVPJQ-HUUCEWRRSA-N 1 0 303.450 2.347 20 10 DECDRO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000077465212 683952551 /nfs/dbraw/zinc/95/25/51/683952551.db2.gz ULCGVBYLPFCZSF-MAUKXSAKSA-N 1 0 322.424 2.303 20 10 DECDRO CON1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000929184444 693912359 /nfs/dbraw/zinc/91/23/59/693912359.db2.gz LLABQNZUQFHSOU-QGZVFWFLSA-N 1 0 317.433 2.271 20 10 DECDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000304314039 685251555 /nfs/dbraw/zinc/25/15/55/685251555.db2.gz KXOJCXRORUXFNE-SFHVURJKSA-N 1 0 316.401 2.114 20 10 DECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862417865 686297276 /nfs/dbraw/zinc/29/72/76/686297276.db2.gz DQDXBKUYUWSUAW-DTORHVGOSA-N 1 0 314.179 2.196 20 10 DECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000862488998 686310293 /nfs/dbraw/zinc/31/02/93/686310293.db2.gz WQGTUAPTDQGPRL-ZDUSSCGKSA-N 1 0 321.373 2.151 20 10 DECDRO C[C@@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCS1(=O)=O ZINC000862511758 686312364 /nfs/dbraw/zinc/31/23/64/686312364.db2.gz AKHZJAFXUPSWDH-IAQYHMDHSA-N 1 0 305.399 2.211 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862518987 686313868 /nfs/dbraw/zinc/31/38/68/686313868.db2.gz OHZCHDBQZXTAFC-WOQGQJNTSA-N 1 0 318.461 2.079 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000862544546 686318202 /nfs/dbraw/zinc/31/82/02/686318202.db2.gz BDNJBSZSJRKFCG-HIFRSBDPSA-N 1 0 303.362 2.266 20 10 DECDRO COC(=O)/C=C(\C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929971237 694061587 /nfs/dbraw/zinc/06/15/87/694061587.db2.gz NXAQZRDITBNDIJ-HFQYIWAZSA-N 1 0 319.401 2.493 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000865914220 687377513 /nfs/dbraw/zinc/37/75/13/687377513.db2.gz GIKHFBBFKHZTIM-UHFFFAOYSA-N 1 0 309.366 2.142 20 10 DECDRO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccccc1O ZINC000866434978 687571788 /nfs/dbraw/zinc/57/17/88/687571788.db2.gz TUZYFKMCNWPZAJ-JOYOIKCWSA-N 1 0 300.284 2.438 20 10 DECDRO CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C)cc1O ZINC000866571204 687612576 /nfs/dbraw/zinc/61/25/76/687612576.db2.gz AQAPHKLVIRRGHM-ZDUSSCGKSA-N 1 0 314.451 2.056 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383836 687997549 /nfs/dbraw/zinc/99/75/49/687997549.db2.gz YREPPPJOYQKOOU-AVGNSLFASA-N 1 0 303.406 2.378 20 10 DECDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1O ZINC000868805846 688145775 /nfs/dbraw/zinc/14/57/75/688145775.db2.gz PCFRLXAYHVCPBK-ZIAGYGMSSA-N 1 0 305.422 2.484 20 10 DECDRO Cc1cc(F)ncc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000870933787 688690588 /nfs/dbraw/zinc/69/05/88/688690588.db2.gz XEWFCWRYXXYHCP-OAHLLOKOSA-N 1 0 316.380 2.025 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)c1ccc(N(C)C)cc1 ZINC000872206104 688951942 /nfs/dbraw/zinc/95/19/42/688951942.db2.gz OAOXUPGPOIIWGM-MORSLUCNSA-N 1 0 306.450 2.315 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1C ZINC000872789743 689094025 /nfs/dbraw/zinc/09/40/25/689094025.db2.gz CCCMSCJGECEUDP-IRXDYDNUSA-N 1 0 321.417 2.361 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1C ZINC000873029343 689144369 /nfs/dbraw/zinc/14/43/69/689144369.db2.gz DBFXUZNRQHCLIO-UHFFFAOYSA-N 1 0 319.380 2.307 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCS(=O)(=O)CC3)ccc21 ZINC000873029707 689144414 /nfs/dbraw/zinc/14/44/14/689144414.db2.gz ONSLXBUTJGTAQD-MRXNPFEDSA-N 1 0 322.474 2.126 20 10 DECDRO COc1ccc(C[NH2+]CC2(O)CCCC2)cc1Cn1cccn1 ZINC000873048818 689148802 /nfs/dbraw/zinc/14/88/02/689148802.db2.gz NFTWSZXUGQYDJH-UHFFFAOYSA-N 1 0 315.417 2.335 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000873051655 689149162 /nfs/dbraw/zinc/14/91/62/689149162.db2.gz FZAQMRJQDWQGNT-OAHLLOKOSA-N 1 0 310.463 2.118 20 10 DECDRO COc1ccc(C[NH2+]CC(C)(C)CO)cc1Cn1cccn1 ZINC000873090879 689157518 /nfs/dbraw/zinc/15/75/18/689157518.db2.gz ZMXXITPUKYEQKX-UHFFFAOYSA-N 1 0 303.406 2.048 20 10 DECDRO CCCOc1ccc(C[NH2+]C2(C(=O)NCCOC)CC2)cc1C ZINC000873130789 689165976 /nfs/dbraw/zinc/16/59/76/689165976.db2.gz KXUGBFOXIONKBX-UHFFFAOYSA-N 1 0 320.433 2.169 20 10 DECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000873215815 689185995 /nfs/dbraw/zinc/18/59/95/689185995.db2.gz HOWWHGMFXTXUHF-ZYHUDNBSSA-N 1 0 313.239 2.490 20 10 DECDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000874002244 689339926 /nfs/dbraw/zinc/33/99/26/689339926.db2.gz XFUYFEKFMWTERF-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)[NH+]1CCCCC1 ZINC000875130480 689576657 /nfs/dbraw/zinc/57/66/57/689576657.db2.gz NGANBOHVUWDDOG-CYBMUJFWSA-N 1 0 303.406 2.292 20 10 DECDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875535392 689644687 /nfs/dbraw/zinc/64/46/87/689644687.db2.gz NUOLNLQOPRRJCY-HNNXBMFYSA-N 1 0 315.417 2.434 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875714424 689681407 /nfs/dbraw/zinc/68/14/07/689681407.db2.gz WOFANKOFFHKGPJ-ZDUSSCGKSA-N 1 0 303.406 2.290 20 10 DECDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000876507160 689841713 /nfs/dbraw/zinc/84/17/13/689841713.db2.gz WWNIOBAMXGHQFP-MFKMUULPSA-N 1 0 317.355 2.457 20 10 DECDRO CN(C)c1ccc(CNC(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000876713758 689912211 /nfs/dbraw/zinc/91/22/11/689912211.db2.gz SLLIUCMDMSVKPH-UHFFFAOYSA-N 1 0 323.440 2.257 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)ccc21 ZINC000876739538 689922881 /nfs/dbraw/zinc/92/28/81/689922881.db2.gz JOQXFDJHMQTGQJ-GOEBONIOSA-N 1 0 301.434 2.059 20 10 DECDRO Cc1cccc(O)c1C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000876790311 689937567 /nfs/dbraw/zinc/93/75/67/689937567.db2.gz ZHMVSKBUYMGTKK-UHFFFAOYSA-N 1 0 324.380 2.429 20 10 DECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000876809746 689944161 /nfs/dbraw/zinc/94/41/61/689944161.db2.gz IVLAQQQGFQAYMX-YOEHRIQHSA-N 1 0 315.417 2.380 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876872523 689960287 /nfs/dbraw/zinc/96/02/87/689960287.db2.gz GDQWNDGFKZFXFS-SHQCLWGWSA-N 1 0 301.434 2.267 20 10 DECDRO COCCOc1ccc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000876937360 689976650 /nfs/dbraw/zinc/97/66/50/689976650.db2.gz UZXNNXXMUHDGOU-UHFFFAOYSA-N 1 0 302.374 2.411 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000876966429 689984799 /nfs/dbraw/zinc/98/47/99/689984799.db2.gz VEGNRCKNVPKZMN-IBGZPJMESA-N 1 0 318.461 2.410 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)n1-c1ccccn1 ZINC000877282443 690065674 /nfs/dbraw/zinc/06/56/74/690065674.db2.gz LXLPGTTZVHGGTH-DLBZAZTESA-N 1 0 324.428 2.456 20 10 DECDRO CO[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000877342746 690082802 /nfs/dbraw/zinc/08/28/02/690082802.db2.gz RLDSBTDCMNTXPK-QAPCUYQASA-N 1 0 322.449 2.115 20 10 DECDRO COCC1=CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877417990 690107181 /nfs/dbraw/zinc/10/71/81/690107181.db2.gz UTOCEESVBJVNBM-UHFFFAOYSA-N 1 0 316.445 2.426 20 10 DECDRO COc1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000877635619 690174362 /nfs/dbraw/zinc/17/43/62/690174362.db2.gz ZERBTVZNWIUDIV-UHFFFAOYSA-N 1 0 317.389 2.450 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC000877637815 690175002 /nfs/dbraw/zinc/17/50/02/690175002.db2.gz MOXSIEGQCHQFCM-SJORKVTESA-N 1 0 316.445 2.116 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c(O)c1 ZINC000877648476 690178979 /nfs/dbraw/zinc/17/89/79/690178979.db2.gz ZGZKYOFBXKIIBW-INIZCTEOSA-N 1 0 317.410 2.460 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000877672800 690185481 /nfs/dbraw/zinc/18/54/81/690185481.db2.gz AVJMVJFTZALOSZ-GFCCVEGCSA-N 1 0 314.311 2.439 20 10 DECDRO OCCC1(CCO)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000877691412 690193155 /nfs/dbraw/zinc/19/31/55/690193155.db2.gz KOOLMLIKAFDFKN-UHFFFAOYSA-N 1 0 313.825 2.393 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)c1 ZINC000877722839 690204786 /nfs/dbraw/zinc/20/47/86/690204786.db2.gz MFPGBWKMKRLQRB-OGHNNQOOSA-N 1 0 305.374 2.222 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2CCCn3nccc32)cc1OC ZINC000877778823 690225325 /nfs/dbraw/zinc/22/53/25/690225325.db2.gz UXHBNIUMMPHJQX-LBPRGKRZSA-N 1 0 303.362 2.231 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H](OC)C3)CC2)cc1F ZINC000878180392 690337326 /nfs/dbraw/zinc/33/73/26/690337326.db2.gz AVLJWIUIBHODMQ-OTVXOJSOSA-N 1 0 308.397 2.381 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)ccc1N1CCCCC1 ZINC000878981811 690542079 /nfs/dbraw/zinc/54/20/79/690542079.db2.gz QBZKWFGGYBFJRG-IEBWSBKVSA-N 1 0 318.461 2.303 20 10 DECDRO CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037132300 690577115 /nfs/dbraw/zinc/57/71/15/690577115.db2.gz BBLLKBVYQCMNNS-JSGCOSHPSA-N 1 0 317.393 2.357 20 10 DECDRO CC(C)CCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649115 690699404 /nfs/dbraw/zinc/69/94/04/690699404.db2.gz LZCXHHZVCKWQRX-CQSZACIVSA-N 1 0 308.422 2.222 20 10 DECDRO CCCn1nccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648579 690699442 /nfs/dbraw/zinc/69/94/42/690699442.db2.gz UTSDBKHOKYIARP-GFCCVEGCSA-N 1 0 302.378 2.288 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000880169033 690828951 /nfs/dbraw/zinc/82/89/51/690828951.db2.gz YXNBMLURELYVAQ-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO CC(=O)c1cc(F)cc(Cn2cc([C@H]([NH3+])C(C)C)nn2)c1O ZINC000880995925 691010821 /nfs/dbraw/zinc/01/08/21/691010821.db2.gz IPBZQKYKZJYBBZ-CQSZACIVSA-N 1 0 306.341 2.030 20 10 DECDRO CC(C)SCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850091 691173624 /nfs/dbraw/zinc/17/36/24/691173624.db2.gz NJGDPWXTIFJWSA-UHFFFAOYSA-N 1 0 321.490 2.196 20 10 DECDRO CSCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850779 691173785 /nfs/dbraw/zinc/17/37/85/691173785.db2.gz GATDMGSTBQOALA-UHFFFAOYSA-N 1 0 321.490 2.198 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)CC3(F)F)cc2)CC1 ZINC000881853362 691173825 /nfs/dbraw/zinc/17/38/25/691173825.db2.gz TUIJBHVHWWKUEJ-MRXNPFEDSA-N 1 0 323.387 2.100 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000882484165 691292362 /nfs/dbraw/zinc/29/23/62/691292362.db2.gz UVQRZFUOGBZSAS-OAHLLOKOSA-N 1 0 312.417 2.313 20 10 DECDRO CC[NH+](CC)CC[C@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000883160612 691444520 /nfs/dbraw/zinc/44/45/20/691444520.db2.gz WCVAHLOYVBQKNB-LLVKDONJSA-N 1 0 318.820 2.367 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000883283598 691471504 /nfs/dbraw/zinc/47/15/04/691471504.db2.gz LLNYNGDCXNUOMT-VQFNDLOPSA-N 1 0 317.477 2.484 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000883308254 691479000 /nfs/dbraw/zinc/47/90/00/691479000.db2.gz LJOUZHIYNNJTNE-DGCLKSJQSA-N 1 0 313.419 2.019 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1O ZINC000883310038 691479923 /nfs/dbraw/zinc/47/99/23/691479923.db2.gz ZCQAVLWQPGHKKF-NEPJUHHUSA-N 1 0 313.419 2.019 20 10 DECDRO CC(C)C[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044355344 691811797 /nfs/dbraw/zinc/81/17/97/691811797.db2.gz QLQKUPSFWPCEMS-UHFFFAOYSA-N 1 0 317.393 2.261 20 10 DECDRO COCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001044391368 691817801 /nfs/dbraw/zinc/81/78/01/691817801.db2.gz TWSDTHGBHCQLQZ-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)cc1F ZINC000886037602 691989935 /nfs/dbraw/zinc/98/99/35/691989935.db2.gz MEVWZZBBBVGBAW-KDOFPFPSSA-N 1 0 320.408 2.383 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1F ZINC000886220780 692027633 /nfs/dbraw/zinc/02/76/33/692027633.db2.gz MSNWAYWCDSBQHJ-STQMWFEESA-N 1 0 314.376 2.050 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000886234006 692032690 /nfs/dbraw/zinc/03/26/90/692032690.db2.gz CXSMECIZDPDFSB-ZDUSSCGKSA-N 1 0 305.349 2.233 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@]12CCOC2 ZINC000886251480 692036015 /nfs/dbraw/zinc/03/60/15/692036015.db2.gz DINKKYCYYIWSFT-QAPCUYQASA-N 1 0 319.401 2.184 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)c(O)c1 ZINC000886359398 692065162 /nfs/dbraw/zinc/06/51/62/692065162.db2.gz BNLHMNXOYUWAOI-GOEBONIOSA-N 1 0 309.406 2.322 20 10 DECDRO CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046865554 692319902 /nfs/dbraw/zinc/31/99/02/692319902.db2.gz DMUBBLKQGFMCIC-OAHLLOKOSA-N 1 0 303.366 2.063 20 10 DECDRO CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071349 692542629 /nfs/dbraw/zinc/54/26/29/692542629.db2.gz IDKRKMCPTGKBKE-AAEUAGOBSA-N 1 0 317.393 2.309 20 10 DECDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925501494 693284581 /nfs/dbraw/zinc/28/45/81/693284581.db2.gz ISZYFTXJZMUHOK-CXAGYDPISA-N 1 0 321.440 2.017 20 10 DECDRO COc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1OC ZINC001333678898 1150077725 /nfs/dbraw/zinc/07/77/25/1150077725.db2.gz PLNUMJABUUVCHT-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@]21C[NH3+])c1ccc(N(C)C)cc1 ZINC001335556304 1150453179 /nfs/dbraw/zinc/45/31/79/1150453179.db2.gz JEFIXFPFDRCGCV-JOQOYGCGSA-N 1 0 316.449 2.336 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]n1 ZINC001349564041 1151261003 /nfs/dbraw/zinc/26/10/03/1151261003.db2.gz KDRFISMMKLOLIP-SNVBAGLBSA-N 1 0 319.361 2.151 20 10 DECDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140100901 776794526 /nfs/dbraw/zinc/79/45/26/776794526.db2.gz FNSLOAPHAFVNIW-VHSXEESVSA-N 1 0 300.196 2.500 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000588403244 777075393 /nfs/dbraw/zinc/07/53/93/777075393.db2.gz HHFHGAYVUGBOTI-VURMDHGXSA-N 1 0 316.401 2.198 20 10 DECDRO Oc1cc(O)c(CCNc2cccc3c2C[NH2+]CC3)cc1O ZINC001168006691 779275553 /nfs/dbraw/zinc/27/55/53/779275553.db2.gz ZYGCANYHFPYENE-UHFFFAOYSA-N 1 0 300.358 2.104 20 10 DECDRO CC1CCC([NH+]2CCN(Cc3c(O)cc(O)cc3O)CC2)CC1 ZINC001144509540 790940282 /nfs/dbraw/zinc/94/02/82/790940282.db2.gz XYOPQIBGDOPPPM-UHFFFAOYSA-N 1 0 320.433 2.500 20 10 DECDRO COc1ccc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169124268 785047395 /nfs/dbraw/zinc/04/73/95/785047395.db2.gz BGEWVARYFFTTSN-BCDXTJNWSA-N 1 0 315.461 2.442 20 10 DECDRO OCCC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691427167 785349451 /nfs/dbraw/zinc/34/94/51/785349451.db2.gz MUKYDINSFLJXEK-UHFFFAOYSA-N 1 0 300.196 2.407 20 10 DECDRO COC(OC)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691430071 785358134 /nfs/dbraw/zinc/35/81/34/785358134.db2.gz RJEWTRPCNONPHS-MRVPVSSYSA-N 1 0 304.184 2.252 20 10 DECDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C)cc(OC)n1 ZINC001134872248 789122812 /nfs/dbraw/zinc/12/28/12/789122812.db2.gz JMLOXZPBFPOTJP-STQMWFEESA-N 1 0 323.437 2.241 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2nc(C)oc2C)cc1C ZINC001135672193 789445445 /nfs/dbraw/zinc/44/54/45/789445445.db2.gz JURZUDUQXOWYCI-UHFFFAOYSA-N 1 0 317.389 2.128 20 10 DECDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC001148218830 791712063 /nfs/dbraw/zinc/71/20/63/791712063.db2.gz MSLWTEBMJBMVJH-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/64/31/58/794643158.db2.gz WLWSOSJGMNCLOY-UHFFFAOYSA-N 1 0 305.378 2.264 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001116761643 794984258 /nfs/dbraw/zinc/98/42/58/794984258.db2.gz KXWPYUPFMYYGNI-RRFJBIMHSA-N 1 0 323.433 2.253 20 10 DECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116884731 794995361 /nfs/dbraw/zinc/99/53/61/794995361.db2.gz WJAQVWGLOGEJNF-GOSISDBHSA-N 1 0 301.434 2.245 20 10 DECDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117137715 795027783 /nfs/dbraw/zinc/02/77/83/795027783.db2.gz MPVMLAIDJBXFDS-BBRMVZONSA-N 1 0 323.481 2.419 20 10 DECDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179687483 795152839 /nfs/dbraw/zinc/15/28/39/795152839.db2.gz XJVGAEWWHZBARG-HZRUHFOJSA-N 1 0 304.390 2.052 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC001179690697 795154341 /nfs/dbraw/zinc/15/43/41/795154341.db2.gz VUPZYTIWEIRLKP-LGVMCUBASA-N 1 0 318.417 2.346 20 10 DECDRO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001118286495 795173196 /nfs/dbraw/zinc/17/31/96/795173196.db2.gz GCJSXPRSKHNUKM-SJORKVTESA-N 1 0 301.434 2.421 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]2N1 ZINC001118568871 795200846 /nfs/dbraw/zinc/20/08/46/795200846.db2.gz ZHAFBXCPTWLXAZ-SJLPKXTDSA-N 1 0 313.445 2.387 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC001119516706 795316257 /nfs/dbraw/zinc/31/62/57/795316257.db2.gz HEGKYJLCNFIIGX-INIZCTEOSA-N 1 0 305.418 2.318 20 10 DECDRO C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278595 795362000 /nfs/dbraw/zinc/36/20/00/795362000.db2.gz GGJCYTUGFOALMQ-UHFFFAOYSA-N 1 0 320.433 2.173 20 10 DECDRO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204283106 795387984 /nfs/dbraw/zinc/38/79/84/795387984.db2.gz ZCKAWEUZFWJSKZ-OAHLLOKOSA-N 1 0 300.358 2.455 20 10 DECDRO [NH3+][C@H]1C[C@H](F)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206445134 795441077 /nfs/dbraw/zinc/44/10/77/795441077.db2.gz NHQJKQLFEONXHR-IUCAKERBSA-N 1 0 308.275 2.162 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cn1cccn1 ZINC001120560409 795484805 /nfs/dbraw/zinc/48/48/05/795484805.db2.gz CQOOFFMSIARVQQ-SFHVURJKSA-N 1 0 314.433 2.024 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N)cc3)C[C@H]2C1 ZINC001120677016 795511691 /nfs/dbraw/zinc/51/16/91/795511691.db2.gz HUJDINPCTYFXNZ-ZMSDIMECSA-N 1 0 316.449 2.141 20 10 DECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001181994129 795576885 /nfs/dbraw/zinc/57/68/85/795576885.db2.gz HCZMGJWKKVQULB-OAHLLOKOSA-N 1 0 318.417 2.247 20 10 DECDRO C[C@@H](N)c1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC001121997700 795714704 /nfs/dbraw/zinc/71/47/04/795714704.db2.gz YOZSMLGUNMSCCC-SECBINFHSA-N 1 0 322.409 2.298 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122026045 795718491 /nfs/dbraw/zinc/71/84/91/795718491.db2.gz PGBAQOSEUSTKHK-USXIJHARSA-N 1 0 301.434 2.242 20 10 DECDRO Cc1ccc(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c(O)c1O ZINC001124023432 796023962 /nfs/dbraw/zinc/02/39/62/796023962.db2.gz OZDMVRQZBSMQMW-UHFFFAOYSA-N 1 0 306.406 2.399 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001184933431 796147150 /nfs/dbraw/zinc/14/71/50/796147150.db2.gz BLZRVMOXFKOMFA-OAHLLOKOSA-N 1 0 308.397 2.444 20 10 DECDRO C[C@]1(CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC001138215755 796184098 /nfs/dbraw/zinc/18/40/98/796184098.db2.gz SEONFDXHZTUYQB-RBUKOAKNSA-N 1 0 318.461 2.242 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC001138215557 796184272 /nfs/dbraw/zinc/18/42/72/796184272.db2.gz JMKAQTPZGGFTFA-OALUTQOASA-N 1 0 318.461 2.242 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341609 796200602 /nfs/dbraw/zinc/20/06/02/796200602.db2.gz JCCVTXIJKWPJIW-UHFFFAOYSA-N 1 0 318.417 2.086 20 10 DECDRO C[NH+](C)C1(C)CN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339563 796200711 /nfs/dbraw/zinc/20/07/11/796200711.db2.gz HJGRIHVYPZOYSP-UHFFFAOYSA-N 1 0 315.461 2.227 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(CC3)OCCO4)ccc21 ZINC001138354875 796203934 /nfs/dbraw/zinc/20/39/34/796203934.db2.gz AUFASNOGOVAJHW-UHFFFAOYSA-N 1 0 302.418 2.408 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CC(F)(C4CC4)C3)cc2)CC1 ZINC001139404725 796370846 /nfs/dbraw/zinc/37/08/46/796370846.db2.gz YAODUPOLDUJOCV-UHFFFAOYSA-N 1 0 303.425 2.372 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)nc1)Cc1ccccc1O ZINC001139434445 796376053 /nfs/dbraw/zinc/37/60/53/796376053.db2.gz BXJLVVMRPZVELU-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccncc3O)CC2)c(C)c1 ZINC001140282467 796501574 /nfs/dbraw/zinc/50/15/74/796501574.db2.gz ZSRRWTZQMAYXEK-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001140620375 796547077 /nfs/dbraw/zinc/54/70/77/796547077.db2.gz LXIYJAIMVGKPAT-UHFFFAOYSA-N 1 0 300.402 2.287 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H](C)O1 ZINC001140662332 796551861 /nfs/dbraw/zinc/55/18/61/796551861.db2.gz ONZJFWGAFIEJRE-OKILXGFUSA-N 1 0 308.397 2.272 20 10 DECDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661811 796551994 /nfs/dbraw/zinc/55/19/94/796551994.db2.gz TXBRUSCYIAZZOS-KRWDZBQOSA-N 1 0 321.440 2.188 20 10 DECDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660140 796552164 /nfs/dbraw/zinc/55/21/64/796552164.db2.gz HIKJGUCWWBEIQF-CABCVRRESA-N 1 0 322.424 2.255 20 10 DECDRO Cc1nc(C2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)no1 ZINC001140745352 796566598 /nfs/dbraw/zinc/56/65/98/796566598.db2.gz GRVTWEOMBVKSLL-UHFFFAOYSA-N 1 0 303.362 2.477 20 10 DECDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)o1 ZINC001140747541 796567317 /nfs/dbraw/zinc/56/73/17/796567317.db2.gz FBRDOQDGRCATPI-ZDUSSCGKSA-N 1 0 303.362 2.477 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001140856349 796584376 /nfs/dbraw/zinc/58/43/76/796584376.db2.gz YPJZOXVZVJXJNX-UHFFFAOYSA-N 1 0 314.433 2.493 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC001141028167 796620017 /nfs/dbraw/zinc/62/00/17/796620017.db2.gz 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O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001580813477 1076001697 /nfs/dbraw/zinc/00/16/97/1076001697.db2.gz ZVHFZRSWDKDCJG-QWRGUYRKSA-N 1 0 318.398 2.279 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817629 1076255683 /nfs/dbraw/zinc/25/56/83/1076255683.db2.gz CDHZJSBJGIHQFZ-HFTRVMKXSA-N 1 0 313.445 2.386 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NCCCCC[NH+]1CCCCC1 ZINC001586127685 1076389882 /nfs/dbraw/zinc/38/98/82/1076389882.db2.gz GPYUNJZWXVLBSB-UHFFFAOYSA-N 1 0 320.433 2.413 20 10 DECDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001608403001 1077637368 /nfs/dbraw/zinc/63/73/68/1077637368.db2.gz VYHPHYIAYWCQQQ-UHFFFAOYSA-N 1 0 305.382 2.167 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001651156637 1079792443 /nfs/dbraw/zinc/79/24/43/1079792443.db2.gz HJKDCXQDLSYTOR-CQSZACIVSA-N 1 0 320.458 2.401 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)c(O)c1 ZINC001652294849 1079864899 /nfs/dbraw/zinc/86/48/99/1079864899.db2.gz CYNTVKCURJGDJN-UHFFFAOYSA-N 1 0 310.357 2.476 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001653069722 1079912464 /nfs/dbraw/zinc/91/24/64/1079912464.db2.gz RYVPPXSVNXBOPR-ZBFHGGJFSA-N 1 0 323.458 2.382 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC001654205796 1079956837 /nfs/dbraw/zinc/95/68/37/1079956837.db2.gz OSKKQUCYXMXLAX-UHFFFAOYSA-N 1 0 317.393 2.455 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCO[C@H](C)C2)cc1F ZINC001655565887 1080006440 /nfs/dbraw/zinc/00/64/40/1080006440.db2.gz FBOWUJBVOQILCG-OAHLLOKOSA-N 1 0 323.456 2.482 20 10 DECDRO CN(C)c1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC001656233526 1080070717 /nfs/dbraw/zinc/07/07/17/1080070717.db2.gz REDQEFCMIQJXTG-UHFFFAOYSA-N 1 0 311.433 2.215 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)ccc1OC ZINC001656814234 1080126424 /nfs/dbraw/zinc/12/64/24/1080126424.db2.gz MLKBSDWCNITVFY-KSSFIOAISA-N 1 0 322.449 2.040 20 10 DECDRO 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UUULDFSXPBVCFJ-UHFFFAOYSA-N 1 0 307.390 2.483 20 10 DECDRO CCc1cccc(C[NH2+]Cc2ccnc(-n3cncn3)c2)c1O ZINC001660478929 1080337761 /nfs/dbraw/zinc/33/77/61/1080337761.db2.gz SKEHUSLMUDZHOT-UHFFFAOYSA-N 1 0 309.373 2.220 20 10 DECDRO O=C1NCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC001660579164 1080360803 /nfs/dbraw/zinc/36/08/03/1080360803.db2.gz YIVHTUCQRQPSJH-UHFFFAOYSA-N 1 0 315.348 2.351 20 10 DECDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC001661183475 1080452293 /nfs/dbraw/zinc/45/22/93/1080452293.db2.gz BDBNAIVJMXCFQJ-OAHLLOKOSA-N 1 0 312.417 2.472 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(OC)cc3O)[C@H]2C1 ZINC001664450188 1080911834 /nfs/dbraw/zinc/91/18/34/1080911834.db2.gz CCRMWPWWIOXJTE-UXOAXIEHSA-N 1 0 305.374 2.078 20 10 DECDRO CCn1cc(C[NH2+]Cc2cc(C(C)C)ccc2O)c(=O)[nH]c1=O ZINC001665947426 1081100305 /nfs/dbraw/zinc/10/03/05/1081100305.db2.gz OWMSHEVBOYFEDT-UHFFFAOYSA-N 1 0 317.389 2.088 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C)CC2)cc1C ZINC001269469461 1081256814 /nfs/dbraw/zinc/25/68/14/1081256814.db2.gz VRJLRAOZRCHSHM-IUODEOHRSA-N 1 0 302.418 2.398 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC23CC3)cc1C ZINC001483268779 1083067262 /nfs/dbraw/zinc/06/72/62/1083067262.db2.gz OPTYBEWBKAKDCY-DZGCQCFKSA-N 1 0 302.418 2.398 20 10 DECDRO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2)C(C)C ZINC001277192779 1083839307 /nfs/dbraw/zinc/83/93/07/1083839307.db2.gz SYBBDLCZNQFFPC-HNNXBMFYSA-N 1 0 318.417 2.177 20 10 DECDRO NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001277209385 1083845953 /nfs/dbraw/zinc/84/59/53/1083845953.db2.gz GSEZWKPTDUXRMF-QGZVFWFLSA-N 1 0 313.445 2.374 20 10 DECDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc(N4CCCC4)cc3)(C1)C2 ZINC001277211666 1083848587 /nfs/dbraw/zinc/84/85/87/1083848587.db2.gz OUHJGABJLFCADG-UHFFFAOYSA-N 1 0 313.445 2.387 20 10 DECDRO O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001277458069 1083980869 /nfs/dbraw/zinc/98/08/69/1083980869.db2.gz OIMJZIYRPPBJJO-CXAGYDPISA-N 1 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CN1CC[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001274823377 1091431567 /nfs/dbraw/zinc/43/15/67/1091431567.db2.gz PCSKXIVSIZYPNJ-OAHLLOKOSA-N 1 0 312.772 2.239 20 10 DECDRO C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055875 1091496574 /nfs/dbraw/zinc/49/65/74/1091496574.db2.gz PRZZIWWFHFQPAX-QGZVFWFLSA-N 1 0 304.390 2.008 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c1 ZINC001275313164 1091664671 /nfs/dbraw/zinc/66/46/71/1091664671.db2.gz BYIFHDBATBEGPW-UHFFFAOYSA-N 1 0 317.433 2.326 20 10 DECDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(C)(C)C)cc1O ZINC001276287509 1091766042 /nfs/dbraw/zinc/76/60/42/1091766042.db2.gz WMYNXEMLYGDCNV-IYBDPMFKSA-N 1 0 304.434 2.205 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)cc1 ZINC001275834064 1092199578 /nfs/dbraw/zinc/19/95/78/1092199578.db2.gz SNPMNSCIAYVBQX-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275909022 1092293237 /nfs/dbraw/zinc/29/32/37/1092293237.db2.gz NTCHTJNZWZDORV-HOTGVXAUSA-N 1 0 316.380 2.103 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N(C)C)c(O)c1 ZINC001277566873 1138330469 /nfs/dbraw/zinc/33/04/69/1138330469.db2.gz CMJJOGSWHZZBCB-OSRSDYAFSA-N 1 0 302.418 2.293 20 10 DECDRO [NH3+]C[C@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001236251278 1138343839 /nfs/dbraw/zinc/34/38/39/1138343839.db2.gz RRLFQEOPDREYSA-LLVKDONJSA-N 1 0 304.312 2.256 20 10 DECDRO CCOC(=O)CN(CCC[NH3+])Cc1cc(Cl)c(C)cc1O ZINC001236304447 1138348905 /nfs/dbraw/zinc/34/89/05/1138348905.db2.gz VZTPPQHSMTVTIM-UHFFFAOYSA-N 1 0 314.813 2.068 20 10 DECDRO COCCN(Cc1ccc(N(C)C)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001236335769 1138353910 /nfs/dbraw/zinc/35/39/10/1138353910.db2.gz VDVMUTXMRAMRHI-OAHLLOKOSA-N 1 0 311.857 2.216 20 10 DECDRO C[N@H+](Cc1cc(O)c(Br)cc1O)[C@H]1CCOC1 ZINC001236765673 1138417049 /nfs/dbraw/zinc/41/70/49/1138417049.db2.gz RUYRZXQTWSMYEF-VIFPVBQESA-N 1 0 302.168 2.081 20 10 DECDRO C[N@H+](Cc1cc(O)c(Br)cc1O)[C@@H]1CCOC1 ZINC001236775970 1138424229 /nfs/dbraw/zinc/42/42/29/1138424229.db2.gz RUYRZXQTWSMYEF-SECBINFHSA-N 1 0 302.168 2.081 20 10 DECDRO CC[NH+]1C[C@@H]2CN(Cc3c(O)cc(OC)cc3Cl)C[C@H]2C1 ZINC001236806545 1138434030 /nfs/dbraw/zinc/43/40/30/1138434030.db2.gz YCCJTXMBTQZERQ-VXGBXAGGSA-N 1 0 310.825 2.438 20 10 DECDRO COc1cc(C)c(CN2CC([NH+]3CCC(F)CC3)C2)c(O)c1 ZINC001236812027 1138436981 /nfs/dbraw/zinc/43/69/81/1138436981.db2.gz YCLVKOZANOSXRN-UHFFFAOYSA-N 1 0 308.397 2.327 20 10 DECDRO COCCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC001236945150 1138463735 /nfs/dbraw/zinc/46/37/35/1138463735.db2.gz FNDBOCMWKCWANB-QGZVFWFLSA-N 1 0 305.466 2.261 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)OC)CC2)c(O)c1 ZINC001237050109 1138489581 /nfs/dbraw/zinc/48/95/81/1138489581.db2.gz PJNHETNOMRWNIZ-UHFFFAOYSA-N 1 0 308.378 2.065 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@H]1O ZINC001237121201 1138508216 /nfs/dbraw/zinc/50/82/16/1138508216.db2.gz WIJPKGVEMPUPJC-BXKDBHETSA-N 1 0 305.296 2.494 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001237173768 1138512724 /nfs/dbraw/zinc/51/27/24/1138512724.db2.gz BIEJHNAVURIMSA-SFHVURJKSA-N 1 0 311.429 2.254 20 10 DECDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1c(O)ccc(Cl)c1Cl ZINC001237172662 1138512805 /nfs/dbraw/zinc/51/28/05/1138512805.db2.gz IRMPLTRZNWZCJB-JQWIXIFHSA-N 1 0 305.205 2.118 20 10 DECDRO OCC[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237247443 1138550316 /nfs/dbraw/zinc/55/03/16/1138550316.db2.gz GXSVUUYXUONJNN-UHFFFAOYSA-N 1 0 312.413 2.380 20 10 DECDRO CN1CCOc2cc(CN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237401483 1138610063 /nfs/dbraw/zinc/61/00/63/1138610063.db2.gz DBKPOESHBFZODI-CVEARBPZSA-N 1 0 301.434 2.089 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c(O)c(OC)c1 ZINC001237668394 1138747255 /nfs/dbraw/zinc/74/72/55/1138747255.db2.gz DHZDPXJKNOONNY-CQSZACIVSA-N 1 0 321.417 2.394 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC001237678199 1138752032 /nfs/dbraw/zinc/75/20/32/1138752032.db2.gz WVMZJSQHNCOREK-LLVKDONJSA-N 1 0 300.196 2.420 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)cc1Br ZINC001237677483 1138752333 /nfs/dbraw/zinc/75/23/33/1138752333.db2.gz NUIOIAIYLACOOE-NSHDSACASA-N 1 0 300.196 2.420 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1Br ZINC001237677423 1138753982 /nfs/dbraw/zinc/75/39/82/1138753982.db2.gz MYECUJHDFDNXCO-TVQRCGJNSA-N 1 0 300.196 2.276 20 10 DECDRO CCOC(=O)[C@@H]1CCN(Cc2cc(F)cc(C)c2O)CCC1=O ZINC001238059357 1138819161 /nfs/dbraw/zinc/81/91/61/1138819161.db2.gz BWBLMIQBMDSMSH-CQSZACIVSA-N 1 0 323.364 2.184 20 10 DECDRO COC[C@@H]1CN(Cc2cc(F)cc(C)c2O)Cc2ncn(C)c21 ZINC001238060803 1138819395 /nfs/dbraw/zinc/81/93/95/1138819395.db2.gz JFJMCNBJKXFCHY-ZDUSSCGKSA-N 1 0 319.380 2.319 20 10 DECDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(F)cc(C)c3O)CC[N@@H+]2C1 ZINC001238061126 1138819431 /nfs/dbraw/zinc/81/94/31/1138819431.db2.gz NCYKGKBMTGQJQV-JKSUJKDBSA-N 1 0 308.397 2.135 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001238067393 1138819508 /nfs/dbraw/zinc/81/95/08/1138819508.db2.gz SWYCKTYMFCNVRN-CQSZACIVSA-N 1 0 321.327 2.422 20 10 DECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318970836 1140482051 /nfs/dbraw/zinc/48/20/51/1140482051.db2.gz JLMWRMBQXZCHTH-SFHVURJKSA-N 1 0 323.456 2.218 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCOC3)cc2F)CC1 ZINC001320916248 1140989145 /nfs/dbraw/zinc/98/91/45/1140989145.db2.gz CQEASRMADZAABY-MRXNPFEDSA-N 1 0 321.440 2.094 20 10 DECDRO CCOc1ccc(N2CCN([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246948790 1141170905 /nfs/dbraw/zinc/17/09/05/1141170905.db2.gz MBMAZAXSPZIYJP-KRWDZBQOSA-N 1 0 303.450 2.349 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC001247714489 1141453684 /nfs/dbraw/zinc/45/36/84/1141453684.db2.gz HIFZJQXTMLHGGX-HOTGVXAUSA-N 1 0 324.384 2.192 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](N)CC[NH3+])n2)cc1 ZINC001248476171 1141800710 /nfs/dbraw/zinc/80/07/10/1141800710.db2.gz ITQJKGKPRAOHGB-OAHLLOKOSA-N 1 0 311.389 2.493 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)cc1Br ZINC001250120633 1142084166 /nfs/dbraw/zinc/08/41/66/1142084166.db2.gz LEFVCKBKFPQRPG-ZANVPECISA-N 1 0 300.196 2.276 20 10 DECDRO Oc1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1O ZINC001250688584 1142268515 /nfs/dbraw/zinc/26/85/15/1142268515.db2.gz XXAKFAPVCFMKMN-CYBMUJFWSA-N 1 0 323.776 2.281 20 10 DECDRO C[N@@H+](Cc1ccc(N)cc1)C[C@@H](O)COCc1ccccc1 ZINC001336285356 1142394974 /nfs/dbraw/zinc/39/49/74/1142394974.db2.gz KMANNMLKPUDKLX-GOSISDBHSA-N 1 0 300.402 2.278 20 10 DECDRO COc1cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c(O)cc1C ZINC001337000916 1142652713 /nfs/dbraw/zinc/65/27/13/1142652713.db2.gz HZUUKSALPHFVCB-UHFFFAOYSA-N 1 0 314.385 2.440 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)COCc2ccco2)cc1 ZINC001252646062 1142802326 /nfs/dbraw/zinc/80/23/26/1142802326.db2.gz XGHYHMQOFJLGNY-KRWDZBQOSA-N 1 0 318.417 2.355 20 10 DECDRO Oc1ccc(C[NH2+]C[C@H](O)CCOCc2ccccc2)c(O)c1 ZINC001253294143 1142861925 /nfs/dbraw/zinc/86/19/25/1142861925.db2.gz PJQWGIPLJRAXFJ-QGZVFWFLSA-N 1 0 317.385 2.155 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC001253612607 1142884455 /nfs/dbraw/zinc/88/44/55/1142884455.db2.gz OZJRRFNOBINLHB-CQSZACIVSA-N 1 0 302.418 2.500 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001254578802 1143260003 /nfs/dbraw/zinc/26/00/03/1143260003.db2.gz NQTDRDGSEBQESO-CYBMUJFWSA-N 1 0 300.314 2.263 20 10 DECDRO C[C@@H]([NH2+]CCOCCCO)c1ccc(Br)cc1O ZINC001340989127 1143517337 /nfs/dbraw/zinc/51/73/37/1143517337.db2.gz BEIUSRKCHGBITG-SNVBAGLBSA-N 1 0 318.211 2.204 20 10 DECDRO O=C(NCc1c(O)cccc1F)c1cccn1C1CC[NH2+]CC1 ZINC001341010771 1143523792 /nfs/dbraw/zinc/52/37/92/1143523792.db2.gz BDCAKEQLXGXYFX-UHFFFAOYSA-N 1 0 317.364 2.187 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCn3ccnc3C)CC2)cc1 ZINC001341422722 1143599416 /nfs/dbraw/zinc/59/94/16/1143599416.db2.gz CZOBOUJRCASODC-UHFFFAOYSA-N 1 0 314.433 2.412 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@H](N)C(F)F)cc1 ZINC001341641872 1143646989 /nfs/dbraw/zinc/64/69/89/1143646989.db2.gz AHYMWHZGKUNEKB-AWEZNQCLSA-N 1 0 313.392 2.474 20 10 DECDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677392 1143662485 /nfs/dbraw/zinc/66/24/85/1143662485.db2.gz NGZWCSFEHBXMLE-CZUORRHYSA-N 1 0 303.450 2.449 20 10 DECDRO Nc1ccc(CC(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC001342089825 1143785282 /nfs/dbraw/zinc/78/52/82/1143785282.db2.gz RRGZXYZVJQHQCE-UHFFFAOYSA-N 1 0 323.440 2.330 20 10 DECDRO Oc1cc2c(cc1O)CN(C1CC[NH+](C3CC3)CC1)CCC2 ZINC001256080989 1143828808 /nfs/dbraw/zinc/82/88/08/1143828808.db2.gz KNEHVOFHDMQFLM-UHFFFAOYSA-N 1 0 302.418 2.473 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001265420965 1144703252 /nfs/dbraw/zinc/70/32/52/1144703252.db2.gz MNKQGQCPQULHAY-INIZCTEOSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1Cn1cccn1 ZINC001308482300 1147474639 /nfs/dbraw/zinc/47/46/39/1147474639.db2.gz LAFLGUGBOCYXQP-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO CN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001308541330 1147479663 /nfs/dbraw/zinc/47/96/63/1147479663.db2.gz QCRZVWJZZDMASY-MRXNPFEDSA-N 1 0 321.440 2.236 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1Cn1cccn1 ZINC001308556917 1147480964 /nfs/dbraw/zinc/48/09/64/1147480964.db2.gz OOWMFZGZARIBLI-LZLYRXPVSA-N 1 0 313.401 2.350 20 10 DECDRO CN(Cc1nc(CO)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC001308671145 1147482267 /nfs/dbraw/zinc/48/22/67/1147482267.db2.gz VQWXBJVSFPSOAV-UHFFFAOYSA-N 1 0 321.446 2.212 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001325288862 1147890231 /nfs/dbraw/zinc/89/02/31/1147890231.db2.gz KTISTNAUQKCDDF-MRXNPFEDSA-N 1 0 313.449 2.163 20 10 DECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326375213 1148087780 /nfs/dbraw/zinc/08/77/80/1148087780.db2.gz GJQXFHUEKNTWBG-YOEHRIQHSA-N 1 0 321.440 2.092 20 10 DECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079404031 185169134 /nfs/dbraw/zinc/16/91/34/185169134.db2.gz BOGBAXWQFKXFJN-ZDUSSCGKSA-N 1 0 322.380 2.082 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C[NH3+])cc1 ZINC000178863301 282296105 /nfs/dbraw/zinc/29/61/05/282296105.db2.gz OCSQXVUHRIJRDF-UHFFFAOYSA-N 1 0 311.385 2.251 20 10 DECDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183414452 283368960 /nfs/dbraw/zinc/36/89/60/283368960.db2.gz HXKRCYUXRNHZAD-AWEZNQCLSA-N 1 0 319.449 2.033 20 10 DECDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280275789 130794177 /nfs/dbraw/zinc/79/41/77/130794177.db2.gz MGZPQDOOIFTBJC-SNVBAGLBSA-N 1 0 317.355 2.386 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280860287 130822120 /nfs/dbraw/zinc/82/21/20/130822120.db2.gz NFKCOECIJNHTLT-BQFCYCMXSA-N 1 0 306.450 2.438 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)c(O)c1 ZINC000284577343 131094555 /nfs/dbraw/zinc/09/45/55/131094555.db2.gz JDLPPJHBPQOUNG-HZPDHXFCSA-N 1 0 318.417 2.234 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000285565640 131181760 /nfs/dbraw/zinc/18/17/60/131181760.db2.gz SYLSSTOIOJVXKM-UHFFFAOYSA-N 1 0 309.431 2.069 20 10 DECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286986909 131259246 /nfs/dbraw/zinc/25/92/46/131259246.db2.gz GWOUIDNCIOTARM-RLWBPUTGSA-N 1 0 316.401 2.196 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000287044987 131261708 /nfs/dbraw/zinc/26/17/08/131261708.db2.gz DJJSKLQCUPQWNN-AWEZNQCLSA-N 1 0 306.454 2.282 20 10 DECDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000288044480 131310725 /nfs/dbraw/zinc/31/07/25/131310725.db2.gz OPUFREPDWIWPHI-LBPRGKRZSA-N 1 0 305.422 2.020 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[C@H]3CCC[NH2+]3)ccc21 ZINC000292221273 131634126 /nfs/dbraw/zinc/63/41/26/131634126.db2.gz ZRDRFCVTCCTGCZ-MRXNPFEDSA-N 1 0 301.434 2.217 20 10 DECDRO NC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297710171 132030446 /nfs/dbraw/zinc/03/04/46/132030446.db2.gz MTBZUUGRQBCJRY-HNNXBMFYSA-N 1 0 312.369 2.033 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1O ZINC000111399360 401714377 /nfs/dbraw/zinc/71/43/77/401714377.db2.gz RQBQMERCQCSYBA-LBPRGKRZSA-N 1 0 318.373 2.178 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC000026417424 401840575 /nfs/dbraw/zinc/84/05/75/401840575.db2.gz KRNQVHXWRABQQP-WOJBJXKFSA-N 1 0 324.424 2.476 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000078969500 401868923 /nfs/dbraw/zinc/86/89/23/401868923.db2.gz QHUMTVXOFJYGAZ-QGZVFWFLSA-N 1 0 317.477 2.487 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000135933079 401955658 /nfs/dbraw/zinc/95/56/58/401955658.db2.gz RCMFPNOIOIPOBP-UHFFFAOYSA-N 1 0 310.445 2.465 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093016917 402010795 /nfs/dbraw/zinc/01/07/95/402010795.db2.gz RLHLGLZAAXHXJO-SFHVURJKSA-N 1 0 317.477 2.297 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000122722474 402092064 /nfs/dbraw/zinc/09/20/64/402092064.db2.gz DYROUNSOHCKNDJ-HNNXBMFYSA-N 1 0 306.406 2.234 20 10 DECDRO CCC[N@H+](CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000109836028 402277111 /nfs/dbraw/zinc/27/71/11/402277111.db2.gz IAXIQWGINQHFQY-UHFFFAOYSA-N 1 0 313.401 2.316 20 10 DECDRO CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000236661115 402372364 /nfs/dbraw/zinc/37/23/64/402372364.db2.gz VBIUCHNPGLNPFF-KRWDZBQOSA-N 1 0 303.450 2.438 20 10 DECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc3c(c2)CCO3)C1(C)C ZINC000186594029 402445786 /nfs/dbraw/zinc/44/57/86/402445786.db2.gz IGOGJZSPVYFDFR-SJLPKXTDSA-N 1 0 305.418 2.277 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1O ZINC000179520748 402593604 /nfs/dbraw/zinc/59/36/04/402593604.db2.gz HYZLVAGEJZXTFH-AWEZNQCLSA-N 1 0 318.417 2.354 20 10 DECDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000173309048 402691947 /nfs/dbraw/zinc/69/19/47/402691947.db2.gz MTMLMKDOYZDZKZ-MRXNPFEDSA-N 1 0 318.465 2.236 20 10 DECDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278332500 402863074 /nfs/dbraw/zinc/86/30/74/402863074.db2.gz ZIYOWBOWGGOASO-LBPRGKRZSA-N 1 0 323.393 2.083 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1 ZINC000268908224 403121164 /nfs/dbraw/zinc/12/11/64/403121164.db2.gz MJCZUCVQHVATSJ-QAPCUYQASA-N 1 0 304.482 2.039 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624262 403151354 /nfs/dbraw/zinc/15/13/54/403151354.db2.gz CADAGMDBHOSXPP-MRXNPFEDSA-N 1 0 302.330 2.466 20 10 DECDRO CCOCc1cc(C[NH2+]CC2([S@](C)=O)CC2)ccc1OC ZINC000282424570 403152543 /nfs/dbraw/zinc/15/25/43/403152543.db2.gz QZKRZBGZGGCQQN-NRFANRHFSA-N 1 0 311.447 2.232 20 10 DECDRO COCCOCCOCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000276249110 403157447 /nfs/dbraw/zinc/15/74/47/403157447.db2.gz VANZFIKYJHNBPL-UHFFFAOYSA-N 1 0 317.813 2.157 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1OC ZINC000271090721 403263053 /nfs/dbraw/zinc/26/30/53/403263053.db2.gz KVQHAXJBIVAFAO-HNNXBMFYSA-N 1 0 320.433 2.470 20 10 DECDRO C[C@H]1CCSCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298404068 403375524 /nfs/dbraw/zinc/37/55/24/403375524.db2.gz FGIOQXXIFRXDJP-AWEZNQCLSA-N 1 0 321.490 2.196 20 10 DECDRO CCCOc1ccc(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c(O)c1 ZINC000292798833 403378722 /nfs/dbraw/zinc/37/87/22/403378722.db2.gz NHYAGFCJQKPNJO-RHSMWYFYSA-N 1 0 322.449 2.068 20 10 DECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000293868094 403586465 /nfs/dbraw/zinc/58/64/65/403586465.db2.gz IRYYGBDQYODXOY-LBPRGKRZSA-N 1 0 324.421 2.051 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000295348093 403873732 /nfs/dbraw/zinc/87/37/32/403873732.db2.gz YRFPLZYXLQYOKC-FVQHAEBGSA-N 1 0 313.376 2.181 20 10 DECDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000296207216 404143311 /nfs/dbraw/zinc/14/33/11/404143311.db2.gz DGJHULKBCCOREK-AWEZNQCLSA-N 1 0 322.405 2.118 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000290356995 404137990 /nfs/dbraw/zinc/13/79/90/404137990.db2.gz JFGCYRBWQMBMMO-JKSUJKDBSA-N 1 0 324.428 2.171 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559454 404220283 /nfs/dbraw/zinc/22/02/83/404220283.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 1 0 308.422 2.181 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363869452 404232724 /nfs/dbraw/zinc/23/27/24/404232724.db2.gz RBUKLGVQPOSYPQ-KBPBESRZSA-N 1 0 300.406 2.364 20 10 DECDRO COc1cccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1O ZINC000296513732 404286260 /nfs/dbraw/zinc/28/62/60/404286260.db2.gz KGVJJBMACQEDPC-UHFFFAOYSA-N 1 0 310.394 2.357 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296617067 404311135 /nfs/dbraw/zinc/31/11/35/404311135.db2.gz WPOIMWVHOQMRSD-JZIBPQBNSA-N 1 0 318.417 2.455 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1O ZINC000291458689 404387142 /nfs/dbraw/zinc/38/71/42/404387142.db2.gz DADIUYDIPWJMNX-GDBMZVCRSA-N 1 0 320.433 2.086 20 10 DECDRO COc1c([O-])c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821535 404726752 /nfs/dbraw/zinc/72/67/52/404726752.db2.gz LGGTYWWYMGGKSK-CHWSQXEVSA-N 1 0 321.377 2.025 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367048721 404911176 /nfs/dbraw/zinc/91/11/76/404911176.db2.gz XZGBIDOEYPOIJX-GOSISDBHSA-N 1 0 302.418 2.278 20 10 DECDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC001329711199 1148979841 /nfs/dbraw/zinc/97/98/41/1148979841.db2.gz VFLONOVTBNUNSX-IXPVHAAZSA-N 1 0 323.387 2.130 20 10 DECDRO COC(=O)c1ccc(O)c([C@@H](C)NCc2nn(C)cc2Cl)c1 ZINC000834883889 649857107 /nfs/dbraw/zinc/85/71/07/649857107.db2.gz UPAPHNYKKSCJRQ-SECBINFHSA-N 1 0 323.780 2.417 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)NC ZINC000834911254 649859700 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Nc1ccc(CC(=O)NCCCCCC2CC[NH2+]CC2)cc1 ZINC001358111394 1152362941 /nfs/dbraw/zinc/36/29/41/1152362941.db2.gz LQSMCLVEBPTQSI-UHFFFAOYSA-N 1 0 303.450 2.488 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](CO)SC)c1O ZINC000230934740 533952173 /nfs/dbraw/zinc/95/21/73/533952173.db2.gz PNEKJTXXUKUFMD-PRHODGIISA-N 1 0 305.827 2.256 20 10 DECDRO CC[C@H](CO)[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835029260 649869032 /nfs/dbraw/zinc/86/90/32/649869032.db2.gz RWODLWNBRZDIOP-OOFWQKGWSA-N 1 0 317.477 2.154 20 10 DECDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000188040706 519290404 /nfs/dbraw/zinc/29/04/04/519290404.db2.gz PGCJHKUFCYYLGY-QGZVFWFLSA-N 1 0 307.390 2.494 20 10 DECDRO CC(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180752471 519720279 /nfs/dbraw/zinc/72/02/79/519720279.db2.gz GGMGOUQICTUULU-GQCTYLIASA-N 1 0 318.417 2.348 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NC)c(O)c1 ZINC000179947194 520349029 /nfs/dbraw/zinc/34/90/29/520349029.db2.gz QUNWXPUWKLRXTQ-HNNXBMFYSA-N 1 0 306.406 2.282 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)[C@@H](C)CC)cc2=O ZINC000183056068 521581816 /nfs/dbraw/zinc/58/18/16/521581816.db2.gz LOZAOJHZCAMZSL-QWRGUYRKSA-N 1 0 320.393 2.136 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(n3ccnc3)CC2)cc1OC ZINC000160240066 522771749 /nfs/dbraw/zinc/77/17/49/522771749.db2.gz IIHLKVPTRAMJRE-UHFFFAOYSA-N 1 0 317.389 2.443 20 10 DECDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(N)cc1 ZINC000237516757 524365022 /nfs/dbraw/zinc/36/50/22/524365022.db2.gz RDGJDRHXRBFHCL-QLFBSQMISA-N 1 0 303.450 2.294 20 10 DECDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155668737 525375920 /nfs/dbraw/zinc/37/59/20/525375920.db2.gz VPLPPFVAIORTBQ-AWEZNQCLSA-N 1 0 318.396 2.210 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000180086854 526349622 /nfs/dbraw/zinc/34/96/22/526349622.db2.gz NDHWDRRASKLMRY-LBPRGKRZSA-N 1 0 316.380 2.449 20 10 DECDRO OCC1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000126747252 527529207 /nfs/dbraw/zinc/52/92/07/527529207.db2.gz XCBFGUUNXWDMHU-UHFFFAOYSA-N 1 0 316.445 2.332 20 10 DECDRO CC1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)OCCO1 ZINC000272925987 535206045 /nfs/dbraw/zinc/20/60/45/535206045.db2.gz HIAPSGYDEHIHBG-CYBMUJFWSA-N 1 0 321.373 2.096 20 10 DECDRO CCn1cc(CC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000285081941 536040483 /nfs/dbraw/zinc/04/04/83/536040483.db2.gz PTSPRBMPFCDELD-UHFFFAOYSA-N 1 0 314.433 2.276 20 10 DECDRO COc1cc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000273123677 536856795 /nfs/dbraw/zinc/85/67/95/536856795.db2.gz ADEXIUFTQFEOOL-DLBZAZTESA-N 1 0 307.390 2.457 20 10 DECDRO CC(C)N1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000835040048 649870272 /nfs/dbraw/zinc/87/02/72/649870272.db2.gz MZAVGVOPSCWADV-OSJSJHBBSA-N 1 0 301.434 2.365 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000835038425 649870450 /nfs/dbraw/zinc/87/04/50/649870450.db2.gz AITOYWMMJZZCIX-DDKKJVIOSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000835043342 649870880 /nfs/dbraw/zinc/87/08/80/649870880.db2.gz PEICIXVVISYUJV-WHLIDYPQSA-N 1 0 304.434 2.145 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000835051167 649871840 /nfs/dbraw/zinc/87/18/40/649871840.db2.gz HJTJQCQQXWBZPL-NMBNSIPYSA-N 1 0 304.434 2.000 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000835051410 649871718 /nfs/dbraw/zinc/87/17/18/649871718.db2.gz BKFKOSZKCGUPKN-ARJAWSKDSA-N 1 0 304.434 2.287 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2ccc(C)cn2)cc1OC ZINC000835065601 649874613 /nfs/dbraw/zinc/87/46/13/649874613.db2.gz PCOZSUNHUDYCNI-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074533 649875281 /nfs/dbraw/zinc/87/52/81/649875281.db2.gz RPKSTVQYDRSXKY-KGLIPLIRSA-N 1 0 304.390 2.034 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)cc1C ZINC000160389391 623733548 /nfs/dbraw/zinc/73/35/48/623733548.db2.gz HUTJZISEQGFKAG-DOTOQJQBSA-N 1 0 307.390 2.089 20 10 DECDRO CCN1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891560163 624478359 /nfs/dbraw/zinc/47/83/59/624478359.db2.gz CLLIHCGBCIXPNT-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891565004 624478493 /nfs/dbraw/zinc/47/84/93/624478493.db2.gz ODBBZNUUEWSPDW-INIZCTEOSA-N 1 0 318.465 2.474 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000725848994 625064504 /nfs/dbraw/zinc/06/45/04/625064504.db2.gz OWZMQELPJQCMPH-UHFFFAOYSA-N 1 0 315.373 2.304 20 10 DECDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)N1CCCC1 ZINC000892556033 625145810 /nfs/dbraw/zinc/14/58/10/625145810.db2.gz ZLISCFISVHSDMB-AWEZNQCLSA-N 1 0 308.422 2.373 20 10 DECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893554295 634619466 /nfs/dbraw/zinc/61/94/66/634619466.db2.gz UAZZIQGIHRHMGW-GHMZBOCLSA-N 1 0 311.378 2.087 20 10 DECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893554310 634619621 /nfs/dbraw/zinc/61/96/21/634619621.db2.gz UAZZIQGIHRHMGW-MNOVXSKESA-N 1 0 311.378 2.087 20 10 DECDRO CN(Cc1cnn(CCF)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893571591 634777138 /nfs/dbraw/zinc/77/71/38/634777138.db2.gz NAXOFGLBBDWZAW-UHFFFAOYSA-N 1 0 320.412 2.429 20 10 DECDRO COCCN1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921596632 633743101 /nfs/dbraw/zinc/74/31/01/633743101.db2.gz YYHBBMJHMODNGU-UHFFFAOYSA-N 1 0 304.434 2.212 20 10 DECDRO CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981541311 635523369 /nfs/dbraw/zinc/52/33/69/635523369.db2.gz JXCHSYKTCGLDPU-KBPBESRZSA-N 1 0 317.393 2.500 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000840962996 635802981 /nfs/dbraw/zinc/80/29/81/635802981.db2.gz KEUSKYQFINYHIK-CQSZACIVSA-N 1 0 305.349 2.406 20 10 DECDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922013869 635808561 /nfs/dbraw/zinc/80/85/61/635808561.db2.gz APOLQEWKCKNEKY-UHFFFAOYSA-N 1 0 311.447 2.316 20 10 DECDRO O=C(NCc1c(O)cccc1F)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000922203830 635994687 /nfs/dbraw/zinc/99/46/87/635994687.db2.gz DXPRFGVIFUIGIO-ZDUSSCGKSA-N 1 0 321.396 2.347 20 10 DECDRO O=C1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000922220164 636008563 /nfs/dbraw/zinc/00/85/63/636008563.db2.gz QLKAYKWSGGNIIV-AWEZNQCLSA-N 1 0 300.402 2.112 20 10 DECDRO O=c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc[nH]1 ZINC000922262507 636049473 /nfs/dbraw/zinc/04/94/73/636049473.db2.gz IBMPIBXEVXAYTQ-UHFFFAOYSA-N 1 0 313.401 2.038 20 10 DECDRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(O)cccc2Cl)[nH]1 ZINC000922408577 636160998 /nfs/dbraw/zinc/16/09/98/636160998.db2.gz AIGWFKKNSXWTAB-QMTHXVAHSA-N 1 0 322.796 2.340 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1O ZINC000922525045 636218335 /nfs/dbraw/zinc/21/83/35/636218335.db2.gz ODNMRNZVDYYEGP-GJZGRUSLSA-N 1 0 322.474 2.460 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1 ZINC000922600193 636271008 /nfs/dbraw/zinc/27/10/08/636271008.db2.gz TZJYJBGPYSQNEI-UHFFFAOYSA-N 1 0 304.434 2.164 20 10 DECDRO CCN1CCC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1=O ZINC000922639328 636290169 /nfs/dbraw/zinc/29/01/69/636290169.db2.gz NNKSNVNNRVHGPL-WVRJYTFGSA-N 1 0 301.434 2.366 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@H]2CCCO2)c2cc(F)ccc2n1C ZINC000894146220 636295557 /nfs/dbraw/zinc/29/55/57/636295557.db2.gz QEKYLIYRLGEWRC-GFCCVEGCSA-N 1 0 320.364 2.373 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)CS(C)(=O)=O ZINC000922734740 636364822 /nfs/dbraw/zinc/36/48/22/636364822.db2.gz HVQFQPCSVDVCBB-UHFFFAOYSA-N 1 0 311.447 2.172 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3CC3)C2)cc1C ZINC000982981025 636565278 /nfs/dbraw/zinc/56/52/78/636565278.db2.gz WUHDXNRXQUAIPV-KOMQPUFPSA-N 1 0 302.418 2.398 20 10 DECDRO CCOCCOCC[NH2+]Cc1cc(Br)ccc1O ZINC000922940541 636869714 /nfs/dbraw/zinc/86/97/14/636869714.db2.gz DRHJRULHVRTGIA-UHFFFAOYSA-N 1 0 318.211 2.297 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000922950789 636880164 /nfs/dbraw/zinc/88/01/64/636880164.db2.gz PPUJVCACCHFWJD-MRXNPFEDSA-N 1 0 320.433 2.134 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](CO)C2)ccc1N1CCCCC1 ZINC000923008220 636912893 /nfs/dbraw/zinc/91/28/93/636912893.db2.gz PBXFLSOIRIXKCA-SHTZXODSSA-N 1 0 319.405 2.446 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3nnc(C)[nH]3)CC2)cc1 ZINC000894773646 637200762 /nfs/dbraw/zinc/20/07/62/637200762.db2.gz YVWCLWMADPYEKA-LBPRGKRZSA-N 1 0 315.421 2.441 20 10 DECDRO COC(=O)c1c(C[NH2+][C@@H]2CCC[C@H]2O)c2cc(F)ccc2n1C ZINC000894970196 637349972 /nfs/dbraw/zinc/34/99/72/637349972.db2.gz SZFLMJNFFJDPLJ-UKRRQHHQSA-N 1 0 320.364 2.107 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nnc(C)s3)C2)cc1 ZINC000895006407 637368219 /nfs/dbraw/zinc/36/82/19/637368219.db2.gz PTCAXDAHYGHIHJ-ZDUSSCGKSA-N 1 0 318.446 2.471 20 10 DECDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738435353 637446013 /nfs/dbraw/zinc/44/60/13/637446013.db2.gz GTLRXWAKDGESFU-CYBMUJFWSA-N 1 0 307.394 2.446 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000320040950 637527144 /nfs/dbraw/zinc/52/71/44/637527144.db2.gz KMGBZWVOBOPIKZ-RBUKOAKNSA-N 1 0 315.461 2.240 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1(F)F ZINC000895140298 637655496 /nfs/dbraw/zinc/65/54/96/637655496.db2.gz PNYZAVBJEAJARG-KOLCDFICSA-N 1 0 305.708 2.190 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nccn4cncc34)cc2)CC1 ZINC000895145702 637663390 /nfs/dbraw/zinc/66/33/90/637663390.db2.gz YGAMRQODNHSXFX-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895151524 637676276 /nfs/dbraw/zinc/67/62/76/637676276.db2.gz KRIJXROHAMIMNL-INIZCTEOSA-N 1 0 322.424 2.399 20 10 DECDRO CCOC[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146670 637788746 /nfs/dbraw/zinc/78/87/46/637788746.db2.gz QEFUUGJUQCQWMI-LBPRGKRZSA-N 1 0 314.376 2.316 20 10 DECDRO Fc1cc(C[NH2+]CC2=CCCOC2)cc(F)c1N1CCOCC1 ZINC000839146868 637789142 /nfs/dbraw/zinc/78/91/42/637789142.db2.gz YJVVNIQBFBOXJX-UHFFFAOYSA-N 1 0 324.371 2.238 20 10 DECDRO CCNC(=O)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839139564 637803234 /nfs/dbraw/zinc/80/32/34/637803234.db2.gz VXOUGMMVGXVUNE-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO COc1c([O-])c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182355 637811999 /nfs/dbraw/zinc/81/19/99/637811999.db2.gz MTEIICRRHMYGIQ-LBPRGKRZSA-N 1 0 323.393 2.131 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[S@@](=O)C(F)(F)F)c1 ZINC000895256720 637853561 /nfs/dbraw/zinc/85/35/61/637853561.db2.gz IJOQZHKPSZVNJK-FFVOIRBGSA-N 1 0 311.325 2.320 20 10 DECDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(F)ccc1O ZINC000840889495 650371949 /nfs/dbraw/zinc/37/19/49/650371949.db2.gz HCVCVCYYDTYHEJ-NSHDSACASA-N 1 0 315.410 2.397 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H](CC[NH+](C)C)C2)cc1OC ZINC000895325979 637932072 /nfs/dbraw/zinc/93/20/72/637932072.db2.gz XAVAIRQGSXLDIC-GFCCVEGCSA-N 1 0 323.393 2.390 20 10 DECDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738435356 637946893 /nfs/dbraw/zinc/94/68/93/637946893.db2.gz GTLRXWAKDGESFU-ZDUSSCGKSA-N 1 0 307.394 2.446 20 10 DECDRO CCOc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(O)c1 ZINC000742387505 638067332 /nfs/dbraw/zinc/06/73/32/638067332.db2.gz CCQVWAGPLBCPQL-UHFFFAOYSA-N 1 0 315.435 2.094 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000840974883 650397987 /nfs/dbraw/zinc/39/79/87/650397987.db2.gz PKRSDNAUYIWLNM-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780165 638198985 /nfs/dbraw/zinc/19/89/85/638198985.db2.gz DESQHWOTSKUGLF-IYBDPMFKSA-N 1 0 304.459 2.318 20 10 DECDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000744450463 638222291 /nfs/dbraw/zinc/22/22/91/638222291.db2.gz WCMCCWVMQYSOHK-HNNXBMFYSA-N 1 0 321.440 2.094 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(N)=O)CCCC2)c1O ZINC000750048292 638705994 /nfs/dbraw/zinc/70/59/94/638705994.db2.gz GHSUHEXOHINDSR-UHFFFAOYSA-N 1 0 310.781 2.136 20 10 DECDRO CCO[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)CN(C)C ZINC000896879535 638753532 /nfs/dbraw/zinc/75/35/32/638753532.db2.gz CXIRTIDHTYECOA-ZDUSSCGKSA-N 1 0 316.829 2.111 20 10 DECDRO CCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000896953965 639097352 /nfs/dbraw/zinc/09/73/52/639097352.db2.gz HTKFDENPLQPGCE-GOOCMWNKSA-N 1 0 309.431 2.152 20 10 DECDRO O=C1N[C@H](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CO1 ZINC000897027295 639131607 /nfs/dbraw/zinc/13/16/07/639131607.db2.gz QYWKFKKUSZTQQC-ZDUSSCGKSA-N 1 0 310.781 2.366 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1F ZINC000897261273 639293918 /nfs/dbraw/zinc/29/39/18/639293918.db2.gz ZALVLNWLVLCVRU-OAHLLOKOSA-N 1 0 322.424 2.398 20 10 DECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000754143042 639393697 /nfs/dbraw/zinc/39/36/97/639393697.db2.gz HVEIMPRIPWRZOC-VNQPRFMTSA-N 1 0 301.434 2.134 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119007 639461368 /nfs/dbraw/zinc/46/13/68/639461368.db2.gz IXZJXJIZROVLGE-YJBOKZPZSA-N 1 0 305.466 2.250 20 10 DECDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305121567 639461480 /nfs/dbraw/zinc/46/14/80/639461480.db2.gz JSQWYUYYCDDPIT-HIFRSBDPSA-N 1 0 310.413 2.474 20 10 DECDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000728914899 639636307 /nfs/dbraw/zinc/63/63/07/639636307.db2.gz YYKGDOAZJPSUNM-IAGOWNOFSA-N 1 0 323.440 2.428 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000756414948 639660649 /nfs/dbraw/zinc/66/06/49/639660649.db2.gz ALOKRDMUQVIYHR-AEGPPILISA-N 1 0 318.417 2.456 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000756414949 639660713 /nfs/dbraw/zinc/66/07/13/639660713.db2.gz ALOKRDMUQVIYHR-CFVMTHIKSA-N 1 0 318.417 2.456 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)cc1O ZINC000756434371 639662064 /nfs/dbraw/zinc/66/20/64/639662064.db2.gz MCPRNOIWNSLZTJ-ONGXEEELSA-N 1 0 316.195 2.221 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)[C@H]2C)cc1C ZINC000985859727 639667574 /nfs/dbraw/zinc/66/75/74/639667574.db2.gz LNVKAOSPYWLQAB-WCQYABFASA-N 1 0 312.360 2.348 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775002 639693862 /nfs/dbraw/zinc/69/38/62/639693862.db2.gz GHRCTEGWCSTKDT-ICCXJUOJSA-N 1 0 305.353 2.136 20 10 DECDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839564352 639755609 /nfs/dbraw/zinc/75/56/09/639755609.db2.gz QIXGJUJZSOJWRQ-YOEHRIQHSA-N 1 0 303.450 2.489 20 10 DECDRO CC[NH+]1CCC(NC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000729043298 639956383 /nfs/dbraw/zinc/95/63/83/639956383.db2.gz CUSGCFQUPLPADC-GFCCVEGCSA-N 1 0 321.421 2.245 20 10 DECDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761993 650559140 /nfs/dbraw/zinc/55/91/40/650559140.db2.gz STKSEGYEKLCLJK-LBPRGKRZSA-N 1 0 310.417 2.208 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc1F ZINC000841799370 650567794 /nfs/dbraw/zinc/56/77/94/650567794.db2.gz URIOLVXCUWWVPH-LBPRGKRZSA-N 1 0 310.417 2.208 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1F ZINC000841797786 650566783 /nfs/dbraw/zinc/56/67/83/650566783.db2.gz BGMLGHPHMGKYFV-OAHLLOKOSA-N 1 0 322.428 2.208 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761967328 640367212 /nfs/dbraw/zinc/36/72/12/640367212.db2.gz LZWTUHVFYXTPLT-DOMZBBRYSA-N 1 0 306.406 2.452 20 10 DECDRO Nc1ccc(CC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1 ZINC000841854891 650580775 /nfs/dbraw/zinc/58/07/75/650580775.db2.gz BQYWIHSTHIHTDS-UHFFFAOYSA-N 1 0 316.430 2.374 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(O)c1OC ZINC000897501430 640504818 /nfs/dbraw/zinc/50/48/18/640504818.db2.gz UEFMVSHQTGUDCP-KBPBESRZSA-N 1 0 307.390 2.457 20 10 DECDRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882956 650592187 /nfs/dbraw/zinc/59/21/87/650592187.db2.gz PYPBNISGGNGGQX-KGLIPLIRSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841882910 650592378 /nfs/dbraw/zinc/59/23/78/650592378.db2.gz PIAFVVXFXWVAKT-RDBSUJKOSA-N 1 0 304.438 2.192 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000841893806 650595498 /nfs/dbraw/zinc/59/54/98/650595498.db2.gz JRXZGGYGDAGLFJ-LBPRGKRZSA-N 1 0 300.349 2.220 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCN3CCCC3)CC2)cc1 ZINC000764618434 640664565 /nfs/dbraw/zinc/66/45/65/640664565.db2.gz MNRQQDLLEQKLDQ-UHFFFAOYSA-N 1 0 303.450 2.349 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841923467 650603468 /nfs/dbraw/zinc/60/34/68/650603468.db2.gz HNDOQQFWIHBOAO-AWEZNQCLSA-N 1 0 305.422 2.313 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC[NH3+] ZINC000841932160 650605246 /nfs/dbraw/zinc/60/52/46/650605246.db2.gz LETSRUBLIKZBNR-UHFFFAOYSA-N 1 0 304.438 2.167 20 10 DECDRO CC[NH2+]CCNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000841935531 650606467 /nfs/dbraw/zinc/60/64/67/650606467.db2.gz WXNWLEZENJUJCA-UHFFFAOYSA-N 1 0 306.454 2.284 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000841941021 650607241 /nfs/dbraw/zinc/60/72/41/650607241.db2.gz VXFSITONEUXUFL-OAHLLOKOSA-N 1 0 305.422 2.441 20 10 DECDRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000897563312 640804592 /nfs/dbraw/zinc/80/45/92/640804592.db2.gz KLEPGVCEOMEQCB-ZDUSSCGKSA-N 1 0 303.406 2.149 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978276 650617857 /nfs/dbraw/zinc/61/78/57/650617857.db2.gz LYPJHJGINSUKOC-HNNXBMFYSA-N 1 0 305.422 2.456 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841980951 650618925 /nfs/dbraw/zinc/61/89/25/650618925.db2.gz MNADSEYVGQVIMN-TUAOUCFPSA-N 1 0 307.394 2.031 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](CCO)C2CCCC2)cc1OC ZINC000897885498 640962997 /nfs/dbraw/zinc/96/29/97/640962997.db2.gz LQJOTANGKXSZGU-CQSZACIVSA-N 1 0 309.406 2.440 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC/C=C/C[NH3+])cc1 ZINC000841998483 650623182 /nfs/dbraw/zinc/62/31/82/650623182.db2.gz YPJYKQDGNTWIOB-VOTSOKGWSA-N 1 0 304.438 2.189 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000842000692 650624241 /nfs/dbraw/zinc/62/42/41/650624241.db2.gz ZMKJJWWRSOVWHO-AWEZNQCLSA-N 1 0 306.454 2.412 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1Cn1cccn1 ZINC000898195044 641056448 /nfs/dbraw/zinc/05/64/48/641056448.db2.gz SRTRSOKMQLQGHQ-KRWDZBQOSA-N 1 0 315.417 2.191 20 10 DECDRO Cc1cc(O)c(C[NH2+]Cc2cnc3n2CCOC3)c(Cl)c1 ZINC000898266335 641076287 /nfs/dbraw/zinc/07/62/87/641076287.db2.gz MQSFTSBCCGKVLL-UHFFFAOYSA-N 1 0 307.781 2.371 20 10 DECDRO COC(=O)CC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768440947 641081442 /nfs/dbraw/zinc/08/14/42/641081442.db2.gz BHRUBWYGEKLNIP-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)on1 ZINC000768440814 641081513 /nfs/dbraw/zinc/08/15/13/641081513.db2.gz ZFLBOBPQRJNMPJ-UKRRQHHQSA-N 1 0 316.357 2.452 20 10 DECDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000768449330 641083869 /nfs/dbraw/zinc/08/38/69/641083869.db2.gz GELTXXTXYQPFGN-LLVKDONJSA-N 1 0 323.389 2.183 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842006411 650626290 /nfs/dbraw/zinc/62/62/90/650626290.db2.gz QBJYBWPFKRYCHW-ZIAGYGMSSA-N 1 0 306.454 2.408 20 10 DECDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C1=CC(=O)CS1 ZINC000769336258 641219918 /nfs/dbraw/zinc/21/99/18/641219918.db2.gz GDBRJAMIPRYDAW-UHFFFAOYSA-N 1 0 305.403 2.053 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000770303751 641354424 /nfs/dbraw/zinc/35/44/24/641354424.db2.gz IWTDFTCHXMFLAW-DLBZAZTESA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2COCC2(C)C)N(C)C)cc1 ZINC000898449587 641660688 /nfs/dbraw/zinc/66/06/88/641660688.db2.gz HVSKVHYVDISEDB-SJORKVTESA-N 1 0 305.466 2.370 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(=O)[nH]c2)N(C)C)cc1 ZINC000898448766 641660815 /nfs/dbraw/zinc/66/08/15/641660815.db2.gz WURLHPWEAHLEGK-KRWDZBQOSA-N 1 0 314.433 2.246 20 10 DECDRO CCn1nccc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449680 641662147 /nfs/dbraw/zinc/66/21/47/641662147.db2.gz IZFAAYDIYWXBPH-SFHVURJKSA-N 1 0 315.465 2.362 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000898478451 641675148 /nfs/dbraw/zinc/67/51/48/641675148.db2.gz WJFFLUADLOSZNZ-YPMHNXCESA-N 1 0 323.389 2.231 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N(C)C)cc1 ZINC000773065972 641724438 /nfs/dbraw/zinc/72/44/38/641724438.db2.gz PYESGVIRAOTAEA-CYBMUJFWSA-N 1 0 310.463 2.228 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000773889409 641836974 /nfs/dbraw/zinc/83/69/74/641836974.db2.gz UYZCPNGHEJQXDU-INIZCTEOSA-N 1 0 319.493 2.420 20 10 DECDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774484712 641908843 /nfs/dbraw/zinc/90/88/43/641908843.db2.gz PUKFOTWULMGVIO-HUUCEWRRSA-N 1 0 321.465 2.335 20 10 DECDRO CCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103254 641934693 /nfs/dbraw/zinc/93/46/93/641934693.db2.gz YJRGIGNVYLNQHJ-INIZCTEOSA-N 1 0 306.454 2.407 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(C)(C)C2)[NH+](C)C)cc1 ZINC000899105259 641936187 /nfs/dbraw/zinc/93/61/87/641936187.db2.gz VYYPGZNLTLSKGO-MRXNPFEDSA-N 1 0 318.465 2.407 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000775834327 642103285 /nfs/dbraw/zinc/10/32/85/642103285.db2.gz RLYZEJWSGKYYQT-CQSZACIVSA-N 1 0 312.417 2.115 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000776221909 642145503 /nfs/dbraw/zinc/14/55/03/642145503.db2.gz XEPKJNAAFBNFDI-FZZIBODNSA-N 1 0 308.809 2.453 20 10 DECDRO CN(C)c1ccc(CN(C(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC000900124898 642265275 /nfs/dbraw/zinc/26/52/75/642265275.db2.gz QLVYHYDLFTVZLF-UHFFFAOYSA-N 1 0 313.445 2.339 20 10 DECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000781905597 642796737 /nfs/dbraw/zinc/79/67/37/642796737.db2.gz OCSQPQQQVXZQRE-SNVBAGLBSA-N 1 0 300.196 2.277 20 10 DECDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000902617944 643086301 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C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncc[nH]1 ZINC000903448190 643354836 /nfs/dbraw/zinc/35/48/36/643354836.db2.gz LWAOQEKCENEUQK-CJNGLKHVSA-N 1 0 301.438 2.429 20 10 DECDRO COc1ccc(N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c(OC)c1 ZINC000903752953 643446504 /nfs/dbraw/zinc/44/65/04/643446504.db2.gz QMWZUYQYQRJPQC-OAHLLOKOSA-N 1 0 320.433 2.299 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000903963603 643536046 /nfs/dbraw/zinc/53/60/46/643536046.db2.gz BYQVARPSYRTCPN-QMTHXVAHSA-N 1 0 301.356 2.469 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CC1(O)CCCC1 ZINC000905036847 643765523 /nfs/dbraw/zinc/76/55/23/643765523.db2.gz VRVRPOPCSPONOP-SFHVURJKSA-N 1 0 318.461 2.433 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1 ZINC000905022535 643774610 /nfs/dbraw/zinc/77/46/10/643774610.db2.gz DWOIIGQBLFVBTR-KRWDZBQOSA-N 1 0 306.450 2.288 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)C(F)F)CC2)cc1 ZINC000905082993 643779139 /nfs/dbraw/zinc/77/91/39/643779139.db2.gz ONEFFCKSGTWRLO-INIZCTEOSA-N 1 0 314.376 2.270 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1F ZINC000905077104 643788576 /nfs/dbraw/zinc/78/85/76/643788576.db2.gz VGDUEDVJIDWYGG-HNNXBMFYSA-N 1 0 324.440 2.428 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)cc1F ZINC000905077105 643788660 /nfs/dbraw/zinc/78/86/60/643788660.db2.gz VGDUEDVJIDWYGG-OAHLLOKOSA-N 1 0 324.440 2.428 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905123489 643797390 /nfs/dbraw/zinc/79/73/90/643797390.db2.gz YXHYNLZTLPNVDZ-KRWDZBQOSA-N 1 0 306.450 2.207 20 10 DECDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843046792 650876200 /nfs/dbraw/zinc/87/62/00/650876200.db2.gz CLMJBTYAKVEYSL-AWEZNQCLSA-N 1 0 304.394 2.118 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000790758792 643890115 /nfs/dbraw/zinc/89/01/15/643890115.db2.gz GDIYEPOHFOWAQN-GJZGRUSLSA-N 1 0 311.422 2.074 20 10 DECDRO Oc1cc2c(cc1CN1CCC([NH2+]CC3CC3)CC1)OCO2 ZINC000843054003 650878600 /nfs/dbraw/zinc/87/86/00/650878600.db2.gz ASFHIXJJUWCTED-UHFFFAOYSA-N 1 0 304.390 2.085 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000843058705 650880107 /nfs/dbraw/zinc/88/01/07/650880107.db2.gz WUVOCFGJSAAJCB-SUMWQHHRSA-N 1 0 309.429 2.220 20 10 DECDRO COc1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(O)c1 ZINC000792992974 644177804 /nfs/dbraw/zinc/17/78/04/644177804.db2.gz QIXVJDBEYIBFOQ-GFCCVEGCSA-N 1 0 323.437 2.176 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000793282548 644225821 /nfs/dbraw/zinc/22/58/21/644225821.db2.gz XLUJNAPTZLVLTN-UHFFFAOYSA-N 1 0 303.811 2.103 20 10 DECDRO COc1cc(O)c(CN[C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000843129129 650902457 /nfs/dbraw/zinc/90/24/57/650902457.db2.gz RTAKZQVIPRJCRH-INIZCTEOSA-N 1 0 306.406 2.174 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000793363976 644239680 /nfs/dbraw/zinc/23/96/80/644239680.db2.gz ZSRINYZSYVOLLA-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO COc1ccc(C[NH2+]Cc2cn3cccc(F)c3n2)c(O)c1 ZINC000793388460 644244238 /nfs/dbraw/zinc/24/42/38/644244238.db2.gz OJBWHONRTPYBKZ-UHFFFAOYSA-N 1 0 301.321 2.477 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907271654 644487219 /nfs/dbraw/zinc/48/72/19/644487219.db2.gz BRUSCOZOGRMMBX-CYBMUJFWSA-N 1 0 320.433 2.410 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)cc1C ZINC000795692876 644620270 /nfs/dbraw/zinc/62/02/70/644620270.db2.gz RJPAZOOZLKLCDB-HOCLYGCPSA-N 1 0 320.433 2.004 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000797072726 644833545 /nfs/dbraw/zinc/83/35/45/644833545.db2.gz ZFWIODDDJVZXAJ-MNOVXSKESA-N 1 0 313.419 2.017 20 10 DECDRO CC(C)([NH3+])CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843484374 650983103 /nfs/dbraw/zinc/98/31/03/650983103.db2.gz KEGGXKQEXQROMB-HNNXBMFYSA-N 1 0 320.433 2.417 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000839922697 645313953 /nfs/dbraw/zinc/31/39/53/645313953.db2.gz YRFVKINBOAEOMU-HDMKZQKVSA-N 1 0 317.477 2.448 20 10 DECDRO CCCC[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1O ZINC000801596044 645421435 /nfs/dbraw/zinc/42/14/35/645421435.db2.gz MYWWVJCJWHAKQS-UHFFFAOYSA-N 1 0 320.433 2.243 20 10 DECDRO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000910949040 645592527 /nfs/dbraw/zinc/59/25/27/645592527.db2.gz DJUIZFIPUCRQKL-OAHLLOKOSA-N 1 0 304.390 2.121 20 10 DECDRO C[NH+](C)[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910947782 645598960 /nfs/dbraw/zinc/59/89/60/645598960.db2.gz MUJCVZKTKNQEPU-MRXNPFEDSA-N 1 0 314.385 2.407 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C3CC3)CCC2)cc1 ZINC000911667954 645770805 /nfs/dbraw/zinc/77/08/05/645770805.db2.gz UXWLOTBSOKOWQA-INIZCTEOSA-N 1 0 301.434 2.449 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H](C[NH3+])C2CCCCCC2)cc1 ZINC000911782782 645821273 /nfs/dbraw/zinc/82/12/73/645821273.db2.gz NENPEZVJLUUEIP-KRWDZBQOSA-N 1 0 303.450 2.473 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000911783759 645822400 /nfs/dbraw/zinc/82/24/00/645822400.db2.gz YOSMNPVIJDIQGO-KRWDZBQOSA-N 1 0 315.461 2.488 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c(O)c1 ZINC000808454277 646087987 /nfs/dbraw/zinc/08/79/87/646087987.db2.gz OCRQYGSHNRSVBZ-QAPCUYQASA-N 1 0 315.369 2.375 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000808699344 646130018 /nfs/dbraw/zinc/13/00/18/646130018.db2.gz WYNNOPQSLCKLSP-QMTHXVAHSA-N 1 0 309.797 2.472 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000809698450 646265563 /nfs/dbraw/zinc/26/55/63/646265563.db2.gz YVLCITIYMKTBHM-OAHLLOKOSA-N 1 0 321.440 2.188 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000840183717 646265995 /nfs/dbraw/zinc/26/59/95/646265995.db2.gz GWTPLGDDJMRHGP-KRWDZBQOSA-N 1 0 323.389 2.185 20 10 DECDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809754117 646277570 /nfs/dbraw/zinc/27/75/70/646277570.db2.gz CMIKTJFGDPVEHQ-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(C)c3O)[C@@H]2C1 ZINC000809788278 646283819 /nfs/dbraw/zinc/28/38/19/646283819.db2.gz PJWNMZYXQZXXAA-BBWFWOEESA-N 1 0 302.418 2.437 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC000809787499 646284028 /nfs/dbraw/zinc/28/40/28/646284028.db2.gz FZJNALXKIAYWCR-RRQGHBQHSA-N 1 0 318.417 2.137 20 10 DECDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000811930965 646593704 /nfs/dbraw/zinc/59/37/04/646593704.db2.gz NGUZDHVZAAAHQX-ZDUSSCGKSA-N 1 0 324.444 2.420 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000812293788 646626677 /nfs/dbraw/zinc/62/66/77/646626677.db2.gz YTKFIKYLYALJLZ-UHFFFAOYSA-N 1 0 306.406 2.241 20 10 DECDRO O=C1C[C@@H]([NH2+]Cc2ccccc2O)CN1c1ccccc1F ZINC000812782686 646694473 /nfs/dbraw/zinc/69/44/73/646694473.db2.gz DJEOYDUIEGQZAF-CYBMUJFWSA-N 1 0 300.333 2.426 20 10 DECDRO CCN(C)c1ccc(CN(CCO)Cc2ccnn2CC)cc1 ZINC000815109159 646970483 /nfs/dbraw/zinc/97/04/83/646970483.db2.gz VQASKNPBTOUJRY-UHFFFAOYSA-N 1 0 316.449 2.354 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000815111336 646971247 /nfs/dbraw/zinc/97/12/47/646971247.db2.gz AINZRNXKSHKMNV-MRXNPFEDSA-N 1 0 317.433 2.112 20 10 DECDRO Oc1c(C[NH2+]C[C@H](O)C2CCOCC2)ccc2ccccc21 ZINC000816551895 647150840 /nfs/dbraw/zinc/15/08/40/647150840.db2.gz SRFUCISNZQILHK-KRWDZBQOSA-N 1 0 301.386 2.423 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816592021 647156273 /nfs/dbraw/zinc/15/62/73/647156273.db2.gz VGYBATZVZIDOLW-INIZCTEOSA-N 1 0 319.401 2.049 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000817417896 647291153 /nfs/dbraw/zinc/29/11/53/647291153.db2.gz WBPBMYGRTUIZRC-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCO1 ZINC000152887629 647296249 /nfs/dbraw/zinc/29/62/49/647296249.db2.gz CVUCXOJLQRPTGK-QGZVFWFLSA-N 1 0 308.397 2.321 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817778979 647360163 /nfs/dbraw/zinc/36/01/63/647360163.db2.gz XDJVOWSGERYVRK-QGZVFWFLSA-N 1 0 318.465 2.297 20 10 DECDRO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817942333 647389191 /nfs/dbraw/zinc/38/91/91/647389191.db2.gz OHHBZSSPTKHQCY-HZPDHXFCSA-N 1 0 301.438 2.227 20 10 DECDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N2CCOCC2)cc1Cl ZINC000817977846 647398932 /nfs/dbraw/zinc/39/89/32/647398932.db2.gz QNLDXAQIQFQPEK-LCSDZXHASA-N 1 0 321.852 2.045 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000731872369 647516270 /nfs/dbraw/zinc/51/62/70/647516270.db2.gz HCWXSOAMZYTTGC-UHFFFAOYSA-N 1 0 324.446 2.028 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000732576875 647627094 /nfs/dbraw/zinc/62/70/94/647627094.db2.gz UUZZEDABKLYJJE-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO C[N@H+](C[C@H](O)CNc1ccccc1OCC(F)F)C1CC1 ZINC000819460219 647669128 /nfs/dbraw/zinc/66/91/28/647669128.db2.gz HTZPGRXAVDFOHP-GFCCVEGCSA-N 1 0 300.349 2.198 20 10 DECDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820233372 647809324 /nfs/dbraw/zinc/80/93/24/647809324.db2.gz RYZQEQUXRQSJFK-BXUZGUMPSA-N 1 0 317.393 2.261 20 10 DECDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823161405 648365089 /nfs/dbraw/zinc/36/50/89/648365089.db2.gz QYGYCXJNKNOYCH-GWCFXTLKSA-N 1 0 303.366 2.014 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823664360 648464351 /nfs/dbraw/zinc/46/43/51/648464351.db2.gz VTEZKCMVZLPXMG-CVEARBPZSA-N 1 0 317.477 2.450 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c(O)c1 ZINC000824451312 648590871 /nfs/dbraw/zinc/59/08/71/648590871.db2.gz RVRDGPHMUSNKTH-ZDUSSCGKSA-N 1 0 320.389 2.065 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000824501997 648598593 /nfs/dbraw/zinc/59/85/93/648598593.db2.gz WLXXARGHHPXUEM-CABCVRRESA-N 1 0 310.825 2.259 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000824654931 648630509 /nfs/dbraw/zinc/63/05/09/648630509.db2.gz SGHFVLXSTLAWOY-UNEWFSDZSA-N 1 0 321.417 2.153 20 10 DECDRO Oc1cc(Br)ccc1CN1CCC2(C1)OCCO2 ZINC000824702398 648638596 /nfs/dbraw/zinc/63/85/96/648638596.db2.gz PIXUFNSPSVDFFY-UHFFFAOYSA-N 1 0 314.179 2.104 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1OC ZINC000824845076 648660853 /nfs/dbraw/zinc/66/08/53/648660853.db2.gz HHMLCYSMZOOWMT-KSSFIOAISA-N 1 0 321.417 2.296 20 10 DECDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824850968 648662166 /nfs/dbraw/zinc/66/21/66/648662166.db2.gz QTEAVXSXMMFYDZ-LLVKDONJSA-N 1 0 317.838 2.221 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1Cl ZINC000825325205 648741943 /nfs/dbraw/zinc/74/19/43/648741943.db2.gz CTMJXEKDIXLKAX-UHFFFAOYSA-N 1 0 305.827 2.267 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000825353077 648747701 /nfs/dbraw/zinc/74/77/01/648747701.db2.gz LHEFWUGOKHAVCF-UHFFFAOYSA-N 1 0 310.741 2.249 20 10 DECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825468085 648767346 /nfs/dbraw/zinc/76/73/46/648767346.db2.gz FDFDOGYFONZUOZ-UWVGGRQHSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000827131729 648978856 /nfs/dbraw/zinc/97/88/56/648978856.db2.gz ASRMIGNPOLVLGV-WBVHZDCISA-N 1 0 301.434 2.162 20 10 DECDRO COc1cc(C[NH+]2CCC(O)(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000827139750 648980638 /nfs/dbraw/zinc/98/06/38/648980638.db2.gz DSOVAAYMCQCGEZ-UHFFFAOYSA-N 1 0 323.433 2.018 20 10 DECDRO O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000827473079 649039400 /nfs/dbraw/zinc/03/94/00/649039400.db2.gz CVEYCWHGJMRCLG-UHFFFAOYSA-N 1 0 323.396 2.379 20 10 DECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000827544949 649049143 /nfs/dbraw/zinc/04/91/43/649049143.db2.gz PCMZMMJWFYCBSN-LLVKDONJSA-N 1 0 311.813 2.233 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000827649785 649061440 /nfs/dbraw/zinc/06/14/40/649061440.db2.gz LCRADSKMZZYLEX-UHFFFAOYSA-N 1 0 301.333 2.431 20 10 DECDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827661991 649063593 /nfs/dbraw/zinc/06/35/93/649063593.db2.gz JPHGTABKLQBJND-CXAGYDPISA-N 1 0 306.475 2.489 20 10 DECDRO Cc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1N1CCCCC1 ZINC000827675093 649065312 /nfs/dbraw/zinc/06/53/12/649065312.db2.gz PTZSSNVSYCFZDP-UHFFFAOYSA-N 1 0 301.434 2.307 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827726420 649076245 /nfs/dbraw/zinc/07/62/45/649076245.db2.gz ZTORBTAVSSERLC-CABCVRRESA-N 1 0 319.449 2.089 20 10 DECDRO CCOc1ccc(O)c(CN2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827855391 649095279 /nfs/dbraw/zinc/09/52/79/649095279.db2.gz BPOIZJLIEBNTCU-QGZVFWFLSA-N 1 0 322.449 2.334 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@H](O)C3)cc2)CC1 ZINC000828597763 649200603 /nfs/dbraw/zinc/20/06/03/649200603.db2.gz OANBTBCRTVRFSP-KBXCAEBGSA-N 1 0 304.434 2.114 20 10 DECDRO CC(C)[NH2+]CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829004014 649258042 /nfs/dbraw/zinc/25/80/42/649258042.db2.gz XRXKBDVEWHPMKF-MRXNPFEDSA-N 1 0 320.433 2.288 20 10 DECDRO O=C(C[C@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829004024 649258344 /nfs/dbraw/zinc/25/83/44/649258344.db2.gz XYWNYANSXQUZBD-HZPDHXFCSA-N 1 0 318.417 2.042 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1F ZINC000829038966 649263841 /nfs/dbraw/zinc/26/38/41/649263841.db2.gz RAQZSWLACTZYTC-HNNXBMFYSA-N 1 0 307.413 2.286 20 10 DECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000830292123 649422448 /nfs/dbraw/zinc/42/24/48/649422448.db2.gz DGCHXGNZEFLJLS-MSOLQXFVSA-N 1 0 303.450 2.048 20 10 DECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000830991351 649526254 /nfs/dbraw/zinc/52/62/54/649526254.db2.gz SUOFEVUTMIVKFF-OCCSQVGLSA-N 1 0 309.337 2.165 20 10 DECDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCSc1nccs1 ZINC000831138298 649542775 /nfs/dbraw/zinc/54/27/75/649542775.db2.gz QCJUTQDORXOGFG-VHSXEESVSA-N 1 0 302.469 2.050 20 10 DECDRO Cc1nc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832286346 649692278 /nfs/dbraw/zinc/69/22/78/649692278.db2.gz YFMLSQPWSDCAOL-AWEZNQCLSA-N 1 0 318.446 2.256 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc(F)cc2)cc1 ZINC000832293609 649693105 /nfs/dbraw/zinc/69/31/05/649693105.db2.gz YSKGZDUUOWWTOG-KRWDZBQOSA-N 1 0 315.392 2.250 20 10 DECDRO O=C1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)N1 ZINC000844306562 651108822 /nfs/dbraw/zinc/10/88/22/651108822.db2.gz JXBZPGIFXFVHKJ-AWEZNQCLSA-N 1 0 300.358 2.266 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC3(CC3(F)F)CC1)[C@H](O)CO2 ZINC000844730764 651161949 /nfs/dbraw/zinc/16/19/49/651161949.db2.gz ZHCOODSHKKRQHU-CYBMUJFWSA-N 1 0 311.328 2.439 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2COC)cc1F ZINC000846047550 651304128 /nfs/dbraw/zinc/30/41/28/651304128.db2.gz OFSXTQHXFCAEKD-LSDHHAIUSA-N 1 0 310.413 2.254 20 10 DECDRO CCN1C[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000846092070 651307112 /nfs/dbraw/zinc/30/71/12/651307112.db2.gz SWMXPNOJJLVELY-OGZRUICASA-N 1 0 301.434 2.224 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000846108144 651308161 /nfs/dbraw/zinc/30/81/61/651308161.db2.gz WECUYONQNHRLIV-UHFFFAOYSA-N 1 0 322.412 2.359 20 10 DECDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000846123436 651309316 /nfs/dbraw/zinc/30/93/16/651309316.db2.gz RUOQBBRLUMSRTF-CQSZACIVSA-N 1 0 302.349 2.397 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1O ZINC000846136106 651310127 /nfs/dbraw/zinc/31/01/27/651310127.db2.gz GWOKLXXKLLPHBY-GJZGRUSLSA-N 1 0 322.449 2.408 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1O ZINC000846138025 651310446 /nfs/dbraw/zinc/31/04/46/651310446.db2.gz WXKUCNNTEYKUNZ-NSHDSACASA-N 1 0 304.346 2.074 20 10 DECDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846141728 651310456 /nfs/dbraw/zinc/31/04/56/651310456.db2.gz NCKWJNXNWNGGQP-HIFPTAJRSA-N 1 0 306.406 2.356 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1O ZINC000846149445 651311271 /nfs/dbraw/zinc/31/12/71/651311271.db2.gz ZLPXKPXCMPGJOH-BLLLJJGKSA-N 1 0 310.463 2.489 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1O ZINC000846149446 651311282 /nfs/dbraw/zinc/31/12/82/651311282.db2.gz ZLPXKPXCMPGJOH-LRDDRELGSA-N 1 0 310.463 2.489 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2CCSCC2)cc1 ZINC000846663952 651343777 /nfs/dbraw/zinc/34/37/77/651343777.db2.gz SRXORUZKYBMAQO-MRXNPFEDSA-N 1 0 321.490 2.402 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1F ZINC000846673133 651344657 /nfs/dbraw/zinc/34/46/57/651344657.db2.gz OCIBCCRFADCUFQ-CABCVRRESA-N 1 0 305.397 2.039 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848410245 651456979 /nfs/dbraw/zinc/45/69/79/651456979.db2.gz DTGCUZRCTPURIV-IEBWSBKVSA-N 1 0 313.445 2.293 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)O)c1O ZINC000848514717 651465411 /nfs/dbraw/zinc/46/54/11/651465411.db2.gz PILKFQVGCTTZPT-JGVFFNPUSA-N 1 0 304.184 2.195 20 10 DECDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000848561093 651471221 /nfs/dbraw/zinc/47/12/21/651471221.db2.gz ULNHPHKWJIXDLW-CQSZACIVSA-N 1 0 320.355 2.258 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC3CCC2(C[NH3+])CC3)c1O ZINC000848601510 651477398 /nfs/dbraw/zinc/47/73/98/651477398.db2.gz ZRJNWVLJKDPNNC-UHFFFAOYSA-N 1 0 306.381 2.437 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000848889512 651546529 /nfs/dbraw/zinc/54/65/29/651546529.db2.gz KGQIHGOIVQJVEY-HZPDHXFCSA-N 1 0 302.418 2.445 20 10 DECDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000848896647 651550392 /nfs/dbraw/zinc/55/03/92/651550392.db2.gz FXBMQFWISRVPTA-GJZGRUSLSA-N 1 0 311.447 2.400 20 10 DECDRO CCc1cccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000848898690 651551031 /nfs/dbraw/zinc/55/10/31/651551031.db2.gz XHVNEXRXIQWZQJ-INIZCTEOSA-N 1 0 314.433 2.447 20 10 DECDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(CC)c1O ZINC000848904298 651553919 /nfs/dbraw/zinc/55/39/19/651553919.db2.gz PPXHLOFILGKLHD-HZPDHXFCSA-N 1 0 321.417 2.497 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C2)cc1 ZINC000849044053 651593527 /nfs/dbraw/zinc/59/35/27/651593527.db2.gz RNWOCZKCOMPUBG-ZDUSSCGKSA-N 1 0 304.438 2.434 20 10 DECDRO COc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850111085 651831385 /nfs/dbraw/zinc/83/13/85/651831385.db2.gz FNSGIBKUIZGGQQ-GFCCVEGCSA-N 1 0 306.406 2.019 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1C ZINC000850348147 651906109 /nfs/dbraw/zinc/90/61/09/651906109.db2.gz GFMOJNOOBUPPHL-FQEVSTJZSA-N 1 0 309.353 2.410 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)O1 ZINC000850406827 651922788 /nfs/dbraw/zinc/92/27/88/651922788.db2.gz VKMOBYFCAHCSDY-QWQRMKEZSA-N 1 0 304.434 2.303 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000850409280 651922845 /nfs/dbraw/zinc/92/28/45/651922845.db2.gz PCXAZULBHQMTKY-YPMHNXCESA-N 1 0 316.195 2.430 20 10 DECDRO O=[S@](CC[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000850495201 651939753 /nfs/dbraw/zinc/93/97/53/651939753.db2.gz YGNKMQARPRPSIR-CFMSYZGJSA-N 1 0 307.337 2.280 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCOCC3)cc2)CC1 ZINC000850568327 651953781 /nfs/dbraw/zinc/95/37/81/651953781.db2.gz VLMKEBIRJPFXGF-MRXNPFEDSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000115677618 652185179 /nfs/dbraw/zinc/18/51/79/652185179.db2.gz HAUBUWBDOKXHFY-UHFFFAOYSA-N 1 0 306.454 2.200 20 10 DECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157562 652268965 /nfs/dbraw/zinc/26/89/65/652268965.db2.gz ZUALDYRHISILGB-GOEBONIOSA-N 1 0 314.376 2.314 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858231046 652285264 /nfs/dbraw/zinc/28/52/64/652285264.db2.gz JIBFPHDDIJYRGS-NSHDSACASA-N 1 0 300.349 2.220 20 10 DECDRO O=c1[nH]cccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858304327 652300476 /nfs/dbraw/zinc/30/04/76/652300476.db2.gz NPSLSPXIVUQYOX-UHFFFAOYSA-N 1 0 317.364 2.053 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)c1O ZINC000858435587 652336390 /nfs/dbraw/zinc/33/63/90/652336390.db2.gz MJYFECMKIPLGAK-ZWNOBZJWSA-N 1 0 309.797 2.472 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000852636320 652431172 /nfs/dbraw/zinc/43/11/72/652431172.db2.gz RQDJYRPQOHUJOH-HOTGVXAUSA-N 1 0 301.434 2.053 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)cc1 ZINC000852754965 652451152 /nfs/dbraw/zinc/45/11/52/652451152.db2.gz RGGQZZDWNJFDNM-UHFFFAOYSA-N 1 0 309.413 2.410 20 10 DECDRO CO[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000852791934 652457772 /nfs/dbraw/zinc/45/77/72/652457772.db2.gz NHTWAGODDXFPLZ-SJORKVTESA-N 1 0 319.449 2.074 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000852791987 652457784 /nfs/dbraw/zinc/45/77/84/652457784.db2.gz ONLMPBDLYDMCGV-MXASKKJJSA-N 1 0 301.434 2.305 20 10 DECDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852884337 652474724 /nfs/dbraw/zinc/47/47/24/652474724.db2.gz IRJZKBXXZUTKMX-MRXNPFEDSA-N 1 0 302.418 2.275 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852882904 652474760 /nfs/dbraw/zinc/47/47/60/652474760.db2.gz ROZOTGBSBSMPBF-UHFFFAOYSA-N 1 0 301.434 2.411 20 10 DECDRO Cc1cc(O)c(C[N@H+](C)CC(=O)N2CCOCC2)cc1C(C)C ZINC000111163997 652522233 /nfs/dbraw/zinc/52/22/33/652522233.db2.gz HJZLUFZLHLLEBK-UHFFFAOYSA-N 1 0 320.433 2.115 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCN([C@@H]3CCOC3)CC1)CCCC2 ZINC000853552489 652567150 /nfs/dbraw/zinc/56/71/50/652567150.db2.gz GULYJAYMSBPPRQ-GOSISDBHSA-N 1 0 316.445 2.178 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(O)cc1C ZINC000853602217 652577194 /nfs/dbraw/zinc/57/71/94/652577194.db2.gz KHWIWPMPUHIURV-CQSZACIVSA-N 1 0 320.433 2.446 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC000853608353 652578524 /nfs/dbraw/zinc/57/85/24/652578524.db2.gz PZYJFGINQRANCT-UHFFFAOYSA-N 1 0 320.389 2.126 20 10 DECDRO CC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218184 652659439 /nfs/dbraw/zinc/65/94/39/652659439.db2.gz TTYZWKSDIAHCJK-QGTPRVQTSA-N 1 0 303.450 2.394 20 10 DECDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000305110033 685275663 /nfs/dbraw/zinc/27/56/63/685275663.db2.gz FLURVMRWGYDWOO-OAHLLOKOSA-N 1 0 304.434 2.479 20 10 DECDRO Nc1ccc(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000383389689 685407667 /nfs/dbraw/zinc/40/76/67/685407667.db2.gz JTEJPBHQQFMYRW-SFHVURJKSA-N 1 0 323.440 2.450 20 10 DECDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858585385 685563045 /nfs/dbraw/zinc/56/30/45/685563045.db2.gz GOWMAEKSCLLNNP-BPLDGKMQSA-N 1 0 308.397 2.490 20 10 DECDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000038635158 683887880 /nfs/dbraw/zinc/88/78/80/683887880.db2.gz BGZZEWQVIMFWAX-INIZCTEOSA-N 1 0 316.405 2.082 20 10 DECDRO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000085334252 684009319 /nfs/dbraw/zinc/00/93/19/684009319.db2.gz RKFFKTIIHQYTBU-PMACEKPBSA-N 1 0 324.424 2.271 20 10 DECDRO CCC[N@H+](Cc1cc(C)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000122359718 684114677 /nfs/dbraw/zinc/11/46/77/684114677.db2.gz QFUGFWFEYKEAHN-HNNXBMFYSA-N 1 0 311.447 2.408 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1F ZINC000122700826 684117877 /nfs/dbraw/zinc/11/78/77/684117877.db2.gz ICQRAYVCOLKPDB-ZDUSSCGKSA-N 1 0 307.413 2.369 20 10 DECDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000136847814 684242229 /nfs/dbraw/zinc/24/22/29/684242229.db2.gz AESAMEAUJKFHQT-DOTOQJQBSA-N 1 0 304.434 2.116 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CC2(O)CCC2)C2CC2)cc1 ZINC000859082347 685651407 /nfs/dbraw/zinc/65/14/07/685651407.db2.gz WLWQWKPDCKTWLP-SFHVURJKSA-N 1 0 318.461 2.383 20 10 DECDRO CC1CC[NH+](CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862026974 686225478 /nfs/dbraw/zinc/22/54/78/686225478.db2.gz FUDZQPJARYYAOQ-UHFFFAOYSA-N 1 0 313.401 2.289 20 10 DECDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@@H]1CO ZINC000862336405 686278933 /nfs/dbraw/zinc/27/89/33/686278933.db2.gz DGAABANEGYHVRS-JOYOIKCWSA-N 1 0 300.196 2.357 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@]1(CO)CCOC1 ZINC000862427170 686300421 /nfs/dbraw/zinc/30/04/21/686300421.db2.gz VNIPCKBOGDPCOX-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862468403 686306782 /nfs/dbraw/zinc/30/67/82/686306782.db2.gz WRYAKGPBHOJXEP-LBPRGKRZSA-N 1 0 310.344 2.382 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862519284 686312951 /nfs/dbraw/zinc/31/29/51/686312951.db2.gz ZEKHHVUQRNYNNY-KDURUIRLSA-N 1 0 320.477 2.346 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000862526498 686314556 /nfs/dbraw/zinc/31/45/56/686314556.db2.gz VOSZSZZHFJXLDP-SJORKVTESA-N 1 0 322.474 2.213 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1Cc2cccc(O)c2C1 ZINC000865259145 686980966 /nfs/dbraw/zinc/98/09/66/686980966.db2.gz ZWNXWXNQTFLQRK-CYBMUJFWSA-N 1 0 305.447 2.067 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ncnn3C(C)C)C2)cc1 ZINC000865621998 687281262 /nfs/dbraw/zinc/28/12/62/687281262.db2.gz ILSILBRXPTVIAM-CQSZACIVSA-N 1 0 315.421 2.236 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865781325 687332874 /nfs/dbraw/zinc/33/28/74/687332874.db2.gz ZQFLFLMOBITCPP-INIZCTEOSA-N 1 0 321.417 2.466 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CCC2(O)CCC2)c1 ZINC000930217555 694114090 /nfs/dbraw/zinc/11/40/90/694114090.db2.gz XJCYQBWZDUACBQ-CHWSQXEVSA-N 1 0 309.406 2.108 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866414960 687565831 /nfs/dbraw/zinc/56/58/31/687565831.db2.gz NGJHIDMNEWGIPN-NFAWXSAZSA-N 1 0 308.397 2.084 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)on1 ZINC000866516895 687597528 /nfs/dbraw/zinc/59/75/28/687597528.db2.gz WVZVCXUFOMXMSC-SNVBAGLBSA-N 1 0 320.345 2.416 20 10 DECDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868355885 687988726 /nfs/dbraw/zinc/98/87/26/687988726.db2.gz SMBZINNPGMDHEO-CHWSQXEVSA-N 1 0 303.406 2.237 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1O ZINC000868397336 688001536 /nfs/dbraw/zinc/00/15/36/688001536.db2.gz SBEPHIBJOJPEBP-HUBLWGQQSA-N 1 0 303.406 2.235 20 10 DECDRO O=C1NCCC12CC[NH+](Cc1c(O)ccc3ccncc31)CC2 ZINC000872788066 689094207 /nfs/dbraw/zinc/09/42/07/689094207.db2.gz JJQGCPFJHBLDEE-UHFFFAOYSA-N 1 0 311.385 2.043 20 10 DECDRO CCC[C@@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873051342 689148707 /nfs/dbraw/zinc/14/87/07/689148707.db2.gz IQVJKWSCFLSTTB-MRXNPFEDSA-N 1 0 303.406 2.191 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)n1C ZINC000873052859 689149078 /nfs/dbraw/zinc/14/90/78/689149078.db2.gz YGNVEZKWWGERKQ-UHFFFAOYSA-N 1 0 315.417 2.476 20 10 DECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873106563 689159066 /nfs/dbraw/zinc/15/90/66/689159066.db2.gz AODSTINAXGRZNN-IDOMTICXSA-N 1 0 315.417 2.357 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1Cn1cccn1 ZINC000873109570 689159649 /nfs/dbraw/zinc/15/96/49/689159649.db2.gz YDMXTVOGHLLBME-SJORKVTESA-N 1 0 315.417 2.189 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1Cn1cccn1 ZINC000873114503 689160468 /nfs/dbraw/zinc/16/04/68/689160468.db2.gz ISJLCSQXCFKPIN-RHSMWYFYSA-N 1 0 315.417 2.455 20 10 DECDRO [NH3+][C@@H]1CCCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214427 689185168 /nfs/dbraw/zinc/18/51/68/689185168.db2.gz FJGQWPRQHBIZOF-QGZVFWFLSA-N 1 0 303.450 2.227 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700401 689588662 /nfs/dbraw/zinc/58/86/62/689588662.db2.gz YAFLKJZVDLWHPM-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000876507086 689842030 /nfs/dbraw/zinc/84/20/30/689842030.db2.gz VGYIRFSXQYXAPS-HOTGVXAUSA-N 1 0 301.434 2.449 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1OC ZINC000876623822 689880061 /nfs/dbraw/zinc/88/00/61/689880061.db2.gz VZEURIBOXRIKEB-XURPKSDJSA-N 1 0 304.390 2.222 20 10 DECDRO COc1ccnc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC000876688974 689903817 /nfs/dbraw/zinc/90/38/17/689903817.db2.gz RBNKXSFQQHWWOQ-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876713919 689912498 /nfs/dbraw/zinc/91/24/98/689912498.db2.gz QKDREWJABRBOQX-DOTOQJQBSA-N 1 0 321.440 2.439 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876767261 689930992 /nfs/dbraw/zinc/93/09/92/689930992.db2.gz FJBUHKNJOJAKAT-PPYMECGQSA-N 1 0 301.434 2.233 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000876873960 689960717 /nfs/dbraw/zinc/96/07/17/689960717.db2.gz WLJYWJCAIFTBPD-AEFFLSMTSA-N 1 0 301.434 2.243 20 10 DECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000876883766 689963829 /nfs/dbraw/zinc/96/38/29/689963829.db2.gz AWTGMIGFHMTIQR-JKEYDSJLSA-N 1 0 314.429 2.443 20 10 DECDRO Cc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1 ZINC000876925446 689974507 /nfs/dbraw/zinc/97/45/07/689974507.db2.gz GBMKUNJEMCVNLY-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000876963192 689984152 /nfs/dbraw/zinc/98/41/52/689984152.db2.gz GEJOFMPQIRLETI-UHFFFAOYSA-N 1 0 305.399 2.264 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000876965895 689984953 /nfs/dbraw/zinc/98/49/53/689984953.db2.gz MONQLUGMVFWXAO-OAHLLOKOSA-N 1 0 301.390 2.057 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000876971543 689986920 /nfs/dbraw/zinc/98/69/20/689986920.db2.gz JMVUDMDVXGYPGY-OAHLLOKOSA-N 1 0 305.349 2.369 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1 ZINC000877110864 690020240 /nfs/dbraw/zinc/02/02/40/690020240.db2.gz FEJVTWJBPJZIRU-SJORKVTESA-N 1 0 304.434 2.434 20 10 DECDRO OCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877354150 690087394 /nfs/dbraw/zinc/08/73/94/690087394.db2.gz BZSXSVBIJYTNGD-UHFFFAOYSA-N 1 0 318.461 2.433 20 10 DECDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(C)cccc1O ZINC000877422212 690107779 /nfs/dbraw/zinc/10/77/79/690107779.db2.gz SJRCGVMQRBAXBW-KGLIPLIRSA-N 1 0 307.390 2.243 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000877479943 690126233 /nfs/dbraw/zinc/12/62/33/690126233.db2.gz YWBNDBNWVDIYBX-MRXNPFEDSA-N 1 0 301.390 2.369 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CC([C@@H]4CCOC4)C3)cc2)CC1 ZINC000877488227 690128545 /nfs/dbraw/zinc/12/85/45/690128545.db2.gz CRUWTSSPVKOCEC-MRXNPFEDSA-N 1 0 316.445 2.116 20 10 DECDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877501005 690132550 /nfs/dbraw/zinc/13/25/50/690132550.db2.gz KUUIERXYCFVJLA-GOSISDBHSA-N 1 0 321.417 2.492 20 10 DECDRO COc1cccc(C[NH2+]Cc2cccn(C(F)F)c2=O)c1O ZINC000877527038 690141528 /nfs/dbraw/zinc/14/15/28/690141528.db2.gz XSDOPFIZTFZFBI-UHFFFAOYSA-N 1 0 310.300 2.247 20 10 DECDRO Cc1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000877558608 690151305 /nfs/dbraw/zinc/15/13/05/690151305.db2.gz BQYMHJCKTVVEMS-CQSZACIVSA-N 1 0 324.421 2.018 20 10 DECDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000877560498 690152062 /nfs/dbraw/zinc/15/20/62/690152062.db2.gz SKJHTZCUKUBUKO-LSDHHAIUSA-N 1 0 310.397 2.482 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000877576721 690156719 /nfs/dbraw/zinc/15/67/19/690156719.db2.gz OTLKSWUYIJZKDY-CJNGLKHVSA-N 1 0 301.390 2.444 20 10 DECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877622680 690170754 /nfs/dbraw/zinc/17/07/54/690170754.db2.gz AYQRHIGGDQVHSA-LBPRGKRZSA-N 1 0 315.408 2.032 20 10 DECDRO Cc1ccc(O)c(C[N@H+](C)CCN2CC3(C2)CCOCC3)c1 ZINC000877766040 690220114 /nfs/dbraw/zinc/22/01/14/690220114.db2.gz WQGKWYYBSKSRGH-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO CCc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1O ZINC000877784512 690227512 /nfs/dbraw/zinc/22/75/12/690227512.db2.gz HPPDUWXZCCGVBH-HOTGVXAUSA-N 1 0 321.417 2.307 20 10 DECDRO Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2ccccc2O)s1 ZINC000878241311 690355860 /nfs/dbraw/zinc/35/58/60/690355860.db2.gz DVEZMNNFRMFBNA-UHFFFAOYSA-N 1 0 319.430 2.295 20 10 DECDRO CCN(C#N)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878240846 690356079 /nfs/dbraw/zinc/35/60/79/690356079.db2.gz NMAHELRPAXPBHY-INIZCTEOSA-N 1 0 303.406 2.176 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC3(C)C)cc2)CC1 ZINC000881852368 691173981 /nfs/dbraw/zinc/17/39/81/691173981.db2.gz NRGJKUBTGKTYOZ-MRXNPFEDSA-N 1 0 301.434 2.101 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC3(C)C)cc2)CC1 ZINC000881855412 691174656 /nfs/dbraw/zinc/17/46/56/691174656.db2.gz VNUXECTZPCMIIY-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CC4(CC4)C3)cc2)CC1 ZINC000881855613 691174682 /nfs/dbraw/zinc/17/46/82/691174682.db2.gz YMCUYNCTGRTPIY-UHFFFAOYSA-N 1 0 313.445 2.245 20 10 DECDRO CCCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883032597 691415530 /nfs/dbraw/zinc/41/55/30/691415530.db2.gz NYWKPDBKQTXGSV-UHFFFAOYSA-N 1 0 318.465 2.428 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCC3)cc2)CC1 ZINC000883145609 691440237 /nfs/dbraw/zinc/44/02/37/691440237.db2.gz HUDUEICCZNWHFY-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO CC[NH+](CC)CC[C@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000883161574 691445052 /nfs/dbraw/zinc/44/50/52/691445052.db2.gz VLGAWAHPHSODSK-OAHLLOKOSA-N 1 0 311.445 2.074 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1F ZINC000883269430 691469055 /nfs/dbraw/zinc/46/90/55/691469055.db2.gz JTEISZADDXKTLZ-OAHLLOKOSA-N 1 0 306.381 2.426 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1F ZINC000884213996 691684448 /nfs/dbraw/zinc/68/44/48/691684448.db2.gz RAQNICVGJWWLRF-OAHLLOKOSA-N 1 0 307.413 2.416 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)cc1F ZINC000886037603 691989554 /nfs/dbraw/zinc/98/95/54/691989554.db2.gz MEVWZZBBBVGBAW-KSSFIOAISA-N 1 0 320.408 2.383 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886251481 692036347 /nfs/dbraw/zinc/03/63/47/692036347.db2.gz DINKKYCYYIWSFT-YJBOKZPZSA-N 1 0 319.401 2.184 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886262304 692037964 /nfs/dbraw/zinc/03/79/64/692037964.db2.gz OHOKHMYMFRZFJO-DYKBCLLOSA-N 1 0 304.434 2.020 20 10 DECDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncco1 ZINC000886274745 692042411 /nfs/dbraw/zinc/04/24/11/692042411.db2.gz ZWXAAWFEKHCAFJ-AWEZNQCLSA-N 1 0 300.406 2.277 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1O ZINC000886334113 692059740 /nfs/dbraw/zinc/05/97/40/692059740.db2.gz RAYDQUKNFILJTC-RVSPLBMKSA-N 1 0 307.390 2.217 20 10 DECDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000886788571 692190494 /nfs/dbraw/zinc/19/04/94/692190494.db2.gz DQNRLCGJYDSKRJ-GUTXKFCHSA-N 1 0 309.406 2.493 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000894371836 692983500 /nfs/dbraw/zinc/98/35/00/692983500.db2.gz HJVNRRZSIUVQHT-RHSMWYFYSA-N 1 0 307.390 2.137 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925322762 693256283 /nfs/dbraw/zinc/25/62/83/693256283.db2.gz BNYDRIGXNFVEQR-ZFWWWQNUSA-N 1 0 305.422 2.406 20 10 DECDRO C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000925844920 693352362 /nfs/dbraw/zinc/35/23/62/693352362.db2.gz NMWMEBFSSGPBQI-AWEZNQCLSA-N 1 0 309.429 2.257 20 10 DECDRO CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001051400731 693353579 /nfs/dbraw/zinc/35/35/79/693353579.db2.gz YJLWYHYYNRDNIC-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cn(C)cn1 ZINC000926725395 693500134 /nfs/dbraw/zinc/50/01/34/693500134.db2.gz RMHRCVSDNUOMDS-CQSZACIVSA-N 1 0 314.433 2.232 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000927104240 693555801 /nfs/dbraw/zinc/55/58/01/693555801.db2.gz KMFFMPHBVVOHOT-HIFRSBDPSA-N 1 0 320.433 2.305 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001335726667 1150512786 /nfs/dbraw/zinc/51/27/86/1150512786.db2.gz VDYUDNMHBNYMKI-HZPDHXFCSA-N 1 0 316.449 2.190 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001343430493 1150741619 /nfs/dbraw/zinc/74/16/19/1150741619.db2.gz IFIVYGTXQBAGRU-QGZVFWFLSA-N 1 0 315.461 2.457 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)[NH2+]C)cc1 ZINC001345141473 1150867503 /nfs/dbraw/zinc/86/75/03/1150867503.db2.gz MRBMMQALQGATPI-CQSZACIVSA-N 1 0 306.454 2.330 20 10 DECDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001345390764 1150886522 /nfs/dbraw/zinc/88/65/22/1150886522.db2.gz FUMRBLFOFLCWLS-CYBMUJFWSA-N 1 0 311.813 2.329 20 10 DECDRO CCOc1ccc(N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001351064947 1151464059 /nfs/dbraw/zinc/46/40/59/1151464059.db2.gz BCUCZGJTZMMNMI-UHFFFAOYSA-N 1 0 303.450 2.303 20 10 DECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001441176894 1181884321 /nfs/dbraw/zinc/88/43/21/1181884321.db2.gz OFBCIQHJDGGTBX-GFCCVEGCSA-N 1 0 317.393 2.453 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001446515386 1184384972 /nfs/dbraw/zinc/38/49/72/1184384972.db2.gz ITJQEGTUVSFDOH-HNNXBMFYSA-N 1 0 320.433 2.125 20 10 DECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140100902 776793360 /nfs/dbraw/zinc/79/33/60/776793360.db2.gz FNSLOAPHAFVNIW-ZJUUUORDSA-N 1 0 300.196 2.500 20 10 DECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140468653 777201861 /nfs/dbraw/zinc/20/18/61/777201861.db2.gz SOHXCXPFSWEEKP-ZDUSSCGKSA-N 1 0 305.765 2.489 20 10 DECDRO CC[S@@](=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706881585 778030892 /nfs/dbraw/zinc/03/08/92/778030892.db2.gz WMTRLVZTMNIMJD-MRXNPFEDSA-N 1 0 306.225 2.013 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1 ZINC001144500118 790934101 /nfs/dbraw/zinc/93/41/01/790934101.db2.gz PILLDVSFALYFSG-UHFFFAOYSA-N 1 0 300.358 2.126 20 10 DECDRO CCCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1O ZINC000691781663 783476660 /nfs/dbraw/zinc/47/66/60/783476660.db2.gz XRJWSWXYIPMWPE-UHFFFAOYSA-N 1 0 315.211 2.242 20 10 DECDRO CC1(C)NC(=O)Cc2cc(N(CC[NH3+])c3cccnc3)ccc21 ZINC001168838481 784935908 /nfs/dbraw/zinc/93/59/08/784935908.db2.gz YKQPHRKVZXFBTH-UHFFFAOYSA-N 1 0 310.401 2.086 20 10 DECDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001169574946 785247875 /nfs/dbraw/zinc/24/78/75/785247875.db2.gz XMPYCNOBEZFUTP-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO Cc1cc(C)c(CNC(=O)c2ccc(NC(N)=[NH2+])cc2)c(O)c1 ZINC001148655606 791782480 /nfs/dbraw/zinc/78/24/80/791782480.db2.gz NAAOXSHMHFNZEA-UHFFFAOYSA-N 1 0 312.373 2.244 20 10 DECDRO CCOc1ccc(N2CCN([C@@H]3CC[N@H+](CC)C3)CC2)cc1 ZINC001173374289 793707687 /nfs/dbraw/zinc/70/76/87/793707687.db2.gz JXYPCTLJUUCXMU-QGZVFWFLSA-N 1 0 303.450 2.302 20 10 DECDRO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)c(O)c1 ZINC001173747435 793834522 /nfs/dbraw/zinc/83/45/22/793834522.db2.gz BRJDRKISQRLREK-KGLIPLIRSA-N 1 0 301.394 2.269 20 10 DECDRO CCCC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237847 794615972 /nfs/dbraw/zinc/61/59/72/794615972.db2.gz NGISFPQRSCFGJW-UHFFFAOYSA-N 1 0 305.382 2.359 20 10 DECDRO NC(=O)COC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001116222015 794944857 /nfs/dbraw/zinc/94/48/57/794944857.db2.gz RJCNBGBMDBYGOT-UHFFFAOYSA-N 1 0 314.385 2.012 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](CO)c1cnn(C)c1 ZINC001116567149 794969442 /nfs/dbraw/zinc/96/94/42/794969442.db2.gz BIYZVKONPSNQRZ-BNOWGMLFSA-N 1 0 301.390 2.306 20 10 DECDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001179729921 795165592 /nfs/dbraw/zinc/16/55/92/795165592.db2.gz QBBUZLIDLRLEMR-CQSZACIVSA-N 1 0 323.456 2.074 20 10 DECDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001118286492 795173075 /nfs/dbraw/zinc/17/30/75/795173075.db2.gz GCJSXPRSKHNUKM-IRXDYDNUSA-N 1 0 301.434 2.421 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]2N1 ZINC001118568872 795200960 /nfs/dbraw/zinc/20/09/60/795200960.db2.gz ZHAFBXCPTWLXAZ-WMZOPIPTSA-N 1 0 313.445 2.387 20 10 DECDRO COCC[C@@]1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC001118804369 795228474 /nfs/dbraw/zinc/22/84/74/795228474.db2.gz INILATDHWVBOJQ-MRXNPFEDSA-N 1 0 314.376 2.316 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(OC)cc2O)C1 ZINC001181008645 795405112 /nfs/dbraw/zinc/40/51/12/795405112.db2.gz SWEPALXPERNPKK-LBPRGKRZSA-N 1 0 308.378 2.030 20 10 DECDRO Cc1cc(Br)c(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)c1 ZINC001206444667 795435269 /nfs/dbraw/zinc/43/52/69/795435269.db2.gz KASUFMALEHEHNP-WDEREUQCSA-N 1 0 317.202 2.334 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001120561149 795484563 /nfs/dbraw/zinc/48/45/63/795484563.db2.gz QWADVZIERLJVKZ-NVXWUHKLSA-N 1 0 303.406 2.066 20 10 DECDRO C[NH2+]CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC001120583037 795490476 /nfs/dbraw/zinc/49/04/76/795490476.db2.gz MHQHDHDFPCMLCP-UHFFFAOYSA-N 1 0 310.417 2.031 20 10 DECDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001120659400 795508591 /nfs/dbraw/zinc/50/85/91/795508591.db2.gz JDZFHXVXXZKRGP-UHFFFAOYSA-N 1 0 304.438 2.188 20 10 DECDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155803 795615705 /nfs/dbraw/zinc/61/57/05/795615705.db2.gz QVFGYJMUJZFPSM-AWEZNQCLSA-N 1 0 320.433 2.411 20 10 DECDRO CCN1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001138127325 796167071 /nfs/dbraw/zinc/16/70/71/796167071.db2.gz WUMQFVNCIGQOAI-KRWDZBQOSA-N 1 0 306.381 2.366 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 ZINC001138153109 796172466 /nfs/dbraw/zinc/17/24/66/796172466.db2.gz XXRPTKFAIOYZJR-UKRRQHHQSA-N 1 0 320.433 2.265 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354541 796204229 /nfs/dbraw/zinc/20/42/29/796204229.db2.gz MWFFGPDFRRISEQ-INIZCTEOSA-N 1 0 302.418 2.454 20 10 DECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358528 796205272 /nfs/dbraw/zinc/20/52/72/796205272.db2.gz UPVXREIUAASAQP-MRXNPFEDSA-N 1 0 302.418 2.454 20 10 DECDRO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412749 796371806 /nfs/dbraw/zinc/37/18/06/796371806.db2.gz MCKKRTRVHQTEMH-IBGZPJMESA-N 1 0 315.461 2.382 20 10 DECDRO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412751 796372570 /nfs/dbraw/zinc/37/25/70/796372570.db2.gz MCKKRTRVHQTEMH-LJQANCHMSA-N 1 0 315.461 2.382 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[NH+]3CC([C@@H](C)OC)C3)cc2)CC1 ZINC001140309797 796505119 /nfs/dbraw/zinc/50/51/19/796505119.db2.gz UYEMFWWYXWCNBO-MRXNPFEDSA-N 1 0 317.477 2.295 20 10 DECDRO O=C1CC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)CC(=O)N1 ZINC001140465386 796526440 /nfs/dbraw/zinc/52/64/40/796526440.db2.gz LFJKCZVNWHPROT-UHFFFAOYSA-N 1 0 322.792 2.064 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001140620410 796547118 /nfs/dbraw/zinc/54/71/18/796547118.db2.gz NLHJNYHBWSANLS-OAHLLOKOSA-N 1 0 302.418 2.391 20 10 DECDRO O[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660371 796551972 /nfs/dbraw/zinc/55/19/72/796551972.db2.gz PXPFESRYKFHJKO-MRXNPFEDSA-N 1 0 308.397 2.009 20 10 DECDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660143 796552063 /nfs/dbraw/zinc/55/20/63/796552063.db2.gz HIKJGUCWWBEIQF-LSDHHAIUSA-N 1 0 322.424 2.255 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c(O)c1 ZINC001140850721 796582999 /nfs/dbraw/zinc/58/29/99/796582999.db2.gz RSGKKSCWNHMWDG-CQSZACIVSA-N 1 0 306.406 2.233 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001140855040 796583688 /nfs/dbraw/zinc/58/36/88/796583688.db2.gz LLKODGYNQCOBML-OAHLLOKOSA-N 1 0 305.422 2.078 20 10 DECDRO CCOC(=O)C1C[NH+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855315 796583715 /nfs/dbraw/zinc/58/37/15/796583715.db2.gz UYYJAMPQJKYKGM-UHFFFAOYSA-N 1 0 306.406 2.233 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c(O)c1 ZINC001140857299 796585139 /nfs/dbraw/zinc/58/51/39/796585139.db2.gz UWZZYIYIRNYUOA-BBRMVZONSA-N 1 0 320.433 2.479 20 10 DECDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2C)C1=O ZINC001140952107 796606530 /nfs/dbraw/zinc/60/65/30/796606530.db2.gz FIWGHMMEUFAAAZ-KSSFIOAISA-N 1 0 302.418 2.391 20 10 DECDRO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140952372 796606690 /nfs/dbraw/zinc/60/66/90/796606690.db2.gz PHLABXBQZXZNPU-CQSZACIVSA-N 1 0 301.390 2.176 20 10 DECDRO COC(=O)CC1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141026109 796620038 /nfs/dbraw/zinc/62/00/38/796620038.db2.gz DCWIWUUEMCDAPJ-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032192 796622429 /nfs/dbraw/zinc/62/24/29/796622429.db2.gz VFSSBLJRCKNJNW-PXAZEXFGSA-N 1 0 309.406 2.392 20 10 DECDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC001203678683 796635408 /nfs/dbraw/zinc/63/54/08/796635408.db2.gz RKOSVPXKFZKXOA-OAHLLOKOSA-N 1 0 306.406 2.282 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC001141160297 796642626 /nfs/dbraw/zinc/64/26/26/796642626.db2.gz UGTFXQPTBIQSHK-UHFFFAOYSA-N 1 0 311.385 2.366 20 10 DECDRO O=C1[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]2CN1c1ccccc1 ZINC001141160134 796643384 /nfs/dbraw/zinc/64/33/84/796643384.db2.gz RDWGTEKCPUQLTC-YOEHRIQHSA-N 1 0 324.380 2.193 20 10 DECDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141163135 796643990 /nfs/dbraw/zinc/64/39/90/796643990.db2.gz QSRULNISOCXYJQ-UHFFFAOYSA-N 1 0 318.417 2.321 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCCOC(C)C)cc1C ZINC001153455629 797340669 /nfs/dbraw/zinc/34/06/69/797340669.db2.gz MEHKZLKURHAOSH-UHFFFAOYSA-N 1 0 322.449 2.415 20 10 DECDRO COc1cc(C(=O)NCCC[NH2+]C2CCCCC2)cc(O)c1O ZINC001193114264 797506490 /nfs/dbraw/zinc/50/64/90/797506490.db2.gz NRUUILMABOUKMM-UHFFFAOYSA-N 1 0 322.405 2.149 20 10 DECDRO [NH3+]C[C@]1(O)CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205663030 797716584 /nfs/dbraw/zinc/71/65/84/797716584.db2.gz GQWSXTQCSCEFBZ-CQSZACIVSA-N 1 0 319.232 2.375 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(NC3=CC[NH2+]C3)c(O)cc21 ZINC001159650057 798592738 /nfs/dbraw/zinc/59/27/38/798592738.db2.gz VQABBMBZHWLHRT-UHFFFAOYSA-N 1 0 306.321 2.067 20 10 DECDRO [NH3+][C@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)C1CCCCC1 ZINC001160924041 798763196 /nfs/dbraw/zinc/76/31/96/798763196.db2.gz AMERLJKKXWGHEK-KRWDZBQOSA-N 1 0 318.417 2.280 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000221597923 799412710 /nfs/dbraw/zinc/41/27/10/799412710.db2.gz XBWZATJGDIFNNW-UHFFFAOYSA-N 1 0 305.422 2.462 20 10 DECDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203562020 800080792 /nfs/dbraw/zinc/08/07/92/800080792.db2.gz BCPNCUSZXIYCSQ-CQSZACIVSA-N 1 0 315.373 2.234 20 10 DECDRO COc1cccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c1O ZINC001203601642 800088368 /nfs/dbraw/zinc/08/83/68/800088368.db2.gz DSZQRURQMIOSBX-UHFFFAOYSA-N 1 0 320.433 2.480 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CCCNC3=O)CC2)c1O ZINC001203609469 800089670 /nfs/dbraw/zinc/08/96/70/800089670.db2.gz UUXSDLCQJRTCSB-UHFFFAOYSA-N 1 0 318.417 2.283 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)OC)c1O ZINC001203614149 800090101 /nfs/dbraw/zinc/09/01/01/800090101.db2.gz QRJRBTODIPFONI-OCZCAGDBSA-N 1 0 319.401 2.422 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1O ZINC001203616977 800091342 /nfs/dbraw/zinc/09/13/42/800091342.db2.gz DDEKSYPDKPXKRD-UHFFFAOYSA-N 1 0 321.421 2.027 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001203617651 800091671 /nfs/dbraw/zinc/09/16/71/800091671.db2.gz SQXADHJFRIPRSB-HIFRSBDPSA-N 1 0 318.417 2.234 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1 ZINC001203634629 800095988 /nfs/dbraw/zinc/09/59/88/800095988.db2.gz OGVZFIHESIYKDD-OAHLLOKOSA-N 1 0 318.417 2.282 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001203635200 800097092 /nfs/dbraw/zinc/09/70/92/800097092.db2.gz OLVDZJHPUNHNIQ-OAHLLOKOSA-N 1 0 315.373 2.153 20 10 DECDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3O)CC[N@@H+]2C1 ZINC001203657264 800100535 /nfs/dbraw/zinc/10/05/35/800100535.db2.gz BHSDOSCCHULJEY-LSDHHAIUSA-N 1 0 310.825 2.341 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c1 ZINC001203671323 800102969 /nfs/dbraw/zinc/10/29/69/800102969.db2.gz NLWOBZVCFPNXRC-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO COc1ccc(O)c(CN2CCN(C(=O)CC(C)C)CC2)c1 ZINC001203680406 800105420 /nfs/dbraw/zinc/10/54/20/800105420.db2.gz VQGYIPLLGSFKMW-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO Oc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1O ZINC001203874663 800138008 /nfs/dbraw/zinc/13/80/08/800138008.db2.gz BFMICTIMCVTQDJ-ZDUSSCGKSA-N 1 0 305.296 2.377 20 10 DECDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882316 800140178 /nfs/dbraw/zinc/14/01/78/800140178.db2.gz BOYMNNNFWQMPDF-CQSZACIVSA-N 1 0 315.373 2.240 20 10 DECDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(N(C)C)cc1 ZINC001203934180 800148073 /nfs/dbraw/zinc/14/80/73/800148073.db2.gz WNEWKIHZQVSJII-UHFFFAOYSA-N 1 0 321.465 2.069 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC001203937180 800148994 /nfs/dbraw/zinc/14/89/94/800148994.db2.gz ONTSGIYJCQCUCE-HNNXBMFYSA-N 1 0 308.447 2.233 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc1 ZINC001203937196 800149195 /nfs/dbraw/zinc/14/91/95/800149195.db2.gz RHEAOLIOOVCLEN-DOTOQJQBSA-N 1 0 301.434 2.195 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001204275014 800197982 /nfs/dbraw/zinc/19/79/82/800197982.db2.gz LNECEYQNGHBWJA-AEFFLSMTSA-N 1 0 319.401 2.258 20 10 DECDRO CCc1nnc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)o1 ZINC001204281516 800200337 /nfs/dbraw/zinc/20/03/37/800200337.db2.gz TVZBPOOJMJZBRT-UHFFFAOYSA-N 1 0 303.362 2.423 20 10 DECDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278180 800200382 /nfs/dbraw/zinc/20/03/82/800200382.db2.gz WRRDLDFOMPMDMW-OAHLLOKOSA-N 1 0 315.373 2.240 20 10 DECDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204328931 800205295 /nfs/dbraw/zinc/20/52/95/800205295.db2.gz UOBSPOGMOAMMNL-UHFFFAOYSA-N 1 0 315.417 2.361 20 10 DECDRO CCOC(=O)CC1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204346880 800207328 /nfs/dbraw/zinc/20/73/28/800207328.db2.gz ISJXWRJSMNVLLZ-UHFFFAOYSA-N 1 0 323.389 2.272 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CNCCO2)c2ccccc21 ZINC001205376305 800349646 /nfs/dbraw/zinc/34/96/46/800349646.db2.gz FNJJPICMWBLAIE-MRXNPFEDSA-N 1 0 313.445 2.326 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206188859 800486015 /nfs/dbraw/zinc/48/60/15/800486015.db2.gz WBJJXNVWSPGEMN-NWDGAFQWSA-N 1 0 302.777 2.315 20 10 DECDRO COc1cccnc1N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231594204 801691777 /nfs/dbraw/zinc/69/17/77/801691777.db2.gz XLYALTGHGXDDHL-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2cccc(C)c2O)Cc2cn(C)nc21 ZINC001231592540 801692475 /nfs/dbraw/zinc/69/24/75/801692475.db2.gz SMAPYSAQUVGRGB-HNNXBMFYSA-N 1 0 301.390 2.180 20 10 DECDRO CCC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853618 801737076 /nfs/dbraw/zinc/73/70/76/801737076.db2.gz MTXYWOPJZLTLAG-UHFFFAOYSA-N 1 0 319.449 2.252 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001231847772 801737342 /nfs/dbraw/zinc/73/73/42/801737342.db2.gz CVGUKPNIYBAYBQ-KRWDZBQOSA-N 1 0 310.413 2.448 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001231853878 801737383 /nfs/dbraw/zinc/73/73/83/801737383.db2.gz SVXKHXDFTIFRKV-YOEHRIQHSA-N 1 0 303.450 2.287 20 10 DECDRO CN(C)C(=O)NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231913685 801750272 /nfs/dbraw/zinc/75/02/72/801750272.db2.gz PGTGTUWCGAOSTE-UHFFFAOYSA-N 1 0 311.813 2.281 20 10 DECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232193964 801812425 /nfs/dbraw/zinc/81/24/25/801812425.db2.gz CYNWNRJBDSZONA-OCCSQVGLSA-N 1 0 310.825 2.132 20 10 DECDRO CC(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262628 801830659 /nfs/dbraw/zinc/83/06/59/801830659.db2.gz MGNMRRMZIXFOIJ-UHFFFAOYSA-N 1 0 312.797 2.194 20 10 DECDRO COc1cc(O)c(CN2C[C@H](F)C[C@@H](CO)C2)cc1Cl ZINC001232266071 801832314 /nfs/dbraw/zinc/83/23/14/801832314.db2.gz IJDKZZZFIMMIAZ-MWLCHTKSSA-N 1 0 303.761 2.207 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1Cl ZINC001232266971 801833345 /nfs/dbraw/zinc/83/33/45/801833345.db2.gz GMTUKKUYHIHVEB-NSHDSACASA-N 1 0 308.769 2.180 20 10 DECDRO COc1cc(O)c(CN2CCc3nn(C)cc3C2)cc1Cl ZINC001232267360 801834238 /nfs/dbraw/zinc/83/42/38/801834238.db2.gz ANYYASBUBJLTRD-UHFFFAOYSA-N 1 0 307.781 2.346 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402388726 801879773 /nfs/dbraw/zinc/87/97/73/801879773.db2.gz RTCHSZJLMXHACE-KRWDZBQOSA-N 1 0 304.434 2.430 20 10 DECDRO COCC[N@H+](Cc1ccc(N(C)C)cc1O)C1CCN(C)CC1 ZINC001232839709 801968953 /nfs/dbraw/zinc/96/89/53/801968953.db2.gz ULAVDYLAKNEPEZ-UHFFFAOYSA-N 1 0 321.465 2.001 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001232841666 801970849 /nfs/dbraw/zinc/97/08/49/801970849.db2.gz NWMQHESXGXDXSY-HNNXBMFYSA-N 1 0 306.406 2.186 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1 ZINC001233284002 802064978 /nfs/dbraw/zinc/06/49/78/802064978.db2.gz DLQOSDQHHARNFC-SJLPKXTDSA-N 1 0 307.434 2.255 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1O ZINC001233290917 802065882 /nfs/dbraw/zinc/06/58/82/802065882.db2.gz CVLJLWDHSFNXOS-ZDUSSCGKSA-N 1 0 324.808 2.251 20 10 DECDRO COCCCC[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233336496 802080188 /nfs/dbraw/zinc/08/01/88/802080188.db2.gz NUWBAFSZUFELOA-UHFFFAOYSA-N 1 0 314.376 2.215 20 10 DECDRO [O-]c1c(C[N@H+]2CCc3nncn3CC2)cccc1C(F)(F)F ZINC001233416651 802111327 /nfs/dbraw/zinc/11/13/27/802111327.db2.gz QKCWKXLDJMDKOB-UHFFFAOYSA-N 1 0 312.295 2.061 20 10 DECDRO CC(C)(C)[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C[C@@H](O)CO ZINC001233416260 802111435 /nfs/dbraw/zinc/11/14/35/802111435.db2.gz BUELZNWTKGHQLA-LLVKDONJSA-N 1 0 321.339 2.365 20 10 DECDRO CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452602 802121244 /nfs/dbraw/zinc/12/12/44/802121244.db2.gz DHZXECBETKXHEV-UHFFFAOYSA-N 1 0 302.296 2.075 20 10 DECDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487254 802127675 /nfs/dbraw/zinc/12/76/75/802127675.db2.gz WJJSQGVBLQWVIM-CYBMUJFWSA-N 1 0 316.357 2.160 20 10 DECDRO Oc1cc(O)c(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1O ZINC001233485561 802127791 /nfs/dbraw/zinc/12/77/91/802127791.db2.gz AXGNJLZDUJYWFV-UHFFFAOYSA-N 1 0 324.396 2.202 20 10 DECDRO COC(=O)c1cccc(C[N@H+](C)Cc2cc(O)c(O)cc2O)c1 ZINC001233486346 802127915 /nfs/dbraw/zinc/12/79/15/802127915.db2.gz JPORXNAAMLGFLG-UHFFFAOYSA-N 1 0 317.341 2.222 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]C[C@@H]3F)cccc21 ZINC001217997473 802128162 /nfs/dbraw/zinc/12/81/62/802128162.db2.gz AQNJUYLKSSMXDU-DZGCQCFKSA-N 1 0 311.312 2.151 20 10 DECDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487255 802129071 /nfs/dbraw/zinc/12/90/71/802129071.db2.gz WJJSQGVBLQWVIM-ZDUSSCGKSA-N 1 0 316.357 2.160 20 10 DECDRO Cc1cc(O[C@@H]2C[NH2+][C@@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218384283 802175635 /nfs/dbraw/zinc/17/56/35/802175635.db2.gz IXAUGCAYYNPXLO-MEBBXXQBSA-N 1 0 323.348 2.215 20 10 DECDRO COC(C[N@H+](C)Cc1cccc(OC(F)(F)F)c1O)OC ZINC001233761356 802199962 /nfs/dbraw/zinc/19/99/62/802199962.db2.gz SIUOHHKPQMZMEP-UHFFFAOYSA-N 1 0 309.284 2.342 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000316683027 802519695 /nfs/dbraw/zinc/51/96/95/802519695.db2.gz XMTAPNBSFFDHEW-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cn1 ZINC001335290107 1150393516 /nfs/dbraw/zinc/39/35/16/1150393516.db2.gz SDCPGPSQLWSJSJ-IRXDYDNUSA-N 1 0 300.406 2.090 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1(O)CCCC1 ZINC001335360764 1150399415 /nfs/dbraw/zinc/39/94/15/1150399415.db2.gz LRWHWWNOWOKTBY-SFHVURJKSA-N 1 0 318.461 2.433 20 10 DECDRO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C(=O)[O-])ccc1O ZINC001593232206 994383438 /nfs/dbraw/zinc/38/34/38/994383438.db2.gz MWNHKAIHFWWPOP-UBHSHLNASA-N 1 0 304.390 2.368 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)c1ccccc1O ZINC001346660511 1151012326 /nfs/dbraw/zinc/01/23/26/1151012326.db2.gz OPGJECSRYNGTLL-CTHBEMJXSA-N 1 0 303.406 2.093 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)c1ccccc1O ZINC001346660513 1151012415 /nfs/dbraw/zinc/01/24/15/1151012415.db2.gz OPGJECSRYNGTLL-MYZSUADSSA-N 1 0 303.406 2.093 20 10 DECDRO CC(C)[NH2+]C1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001350469033 1151360432 /nfs/dbraw/zinc/36/04/32/1151360432.db2.gz ITGGBTQBLCONQH-UHFFFAOYSA-N 1 0 321.450 2.216 20 10 DECDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)c1ccccc1O ZINC001522340885 1069342001 /nfs/dbraw/zinc/34/20/01/1069342001.db2.gz DIOQVFPMIOECGQ-SHFYGJNESA-N 1 0 318.417 2.117 20 10 DECDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001350709325 1151389492 /nfs/dbraw/zinc/38/94/92/1151389492.db2.gz ZQNRYGMGHAWRHN-HOTGVXAUSA-N 1 0 303.425 2.419 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cccc(C(N)=O)c3)cc2)CC1 ZINC001461294583 1058632278 /nfs/dbraw/zinc/63/22/78/1058632278.db2.gz ZJFCVTJOGQOOTD-UHFFFAOYSA-N 1 0 324.428 2.149 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c(O)c1 ZINC001462584369 1058854874 /nfs/dbraw/zinc/85/48/74/1058854874.db2.gz KUZRCZPYZFLFRH-GFCCVEGCSA-N 1 0 303.362 2.390 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001466791537 1059538013 /nfs/dbraw/zinc/53/80/13/1059538013.db2.gz UZGQWLPBYWFXJF-BPLDGKMQSA-N 1 0 320.433 2.265 20 10 DECDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001469333253 1059938314 /nfs/dbraw/zinc/93/83/14/1059938314.db2.gz POGYNCWGYSJTCK-QWHCGFSZSA-N 1 0 317.393 2.308 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C)OC)C2)cc1C ZINC001479353602 1061409857 /nfs/dbraw/zinc/40/98/57/1061409857.db2.gz NJSAEBWFJMEMKA-BPUTZDHNSA-N 1 0 320.433 2.023 20 10 DECDRO C[C@@H](F)CC[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567615242 1064281933 /nfs/dbraw/zinc/28/19/33/1064281933.db2.gz MYICOBIWGGEJQZ-LLVKDONJSA-N 1 0 323.372 2.259 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](O)C(C)C)cc1C ZINC001568628087 1065003311 /nfs/dbraw/zinc/00/33/11/1065003311.db2.gz WAEPVKCMKNTDRA-RHSMWYFYSA-N 1 0 322.449 2.005 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C(=O)OC)CCOC2)cc1 ZINC001621109700 1078170228 /nfs/dbraw/zinc/17/02/28/1078170228.db2.gz MKDRBIQNBUVQFT-SFHVURJKSA-N 1 0 320.433 2.202 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1 ZINC001621474696 1078175704 /nfs/dbraw/zinc/17/57/04/1078175704.db2.gz FOSZRZNSPFPTAI-INIZCTEOSA-N 1 0 306.450 2.450 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 ZINC001625125954 1078238294 /nfs/dbraw/zinc/23/82/94/1078238294.db2.gz XHXKWAHYOALTJJ-ZDUSSCGKSA-N 1 0 320.414 2.121 20 10 DECDRO CC[C@](C)(C[NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001576948073 1066729497 /nfs/dbraw/zinc/72/94/97/1066729497.db2.gz GEIBJQPIZQRHSW-KBXCAEBGSA-N 1 0 319.449 2.013 20 10 DECDRO CC[C@]1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC[NH2+]C1 ZINC001577195983 1066784606 /nfs/dbraw/zinc/78/46/06/1066784606.db2.gz OUNGQVPQDWJAAS-BEFAXECRSA-N 1 0 317.477 2.498 20 10 DECDRO C[NH+](C)CCc1cccc(C(=O)NCCc2ccc(N)cc2)c1 ZINC001578419504 1067095042 /nfs/dbraw/zinc/09/50/42/1067095042.db2.gz VIBACSJDJJSVPS-UHFFFAOYSA-N 1 0 311.429 2.345 20 10 DECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCOc3c(Br)cccc32)C1 ZINC001580171809 1067517151 /nfs/dbraw/zinc/51/71/51/1067517151.db2.gz XNKWJNIOOQPQBS-SNVBAGLBSA-N 1 0 323.190 2.222 20 10 DECDRO C[NH+](C)[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001645363142 1078897721 /nfs/dbraw/zinc/89/77/21/1078897721.db2.gz NMXOXMGWKFKOAO-HNNXBMFYSA-N 1 0 314.385 2.407 20 10 DECDRO CC(C)c1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC001329297164 1148881776 /nfs/dbraw/zinc/88/17/76/1148881776.db2.gz CYKALNHYIXEIRR-AWEZNQCLSA-N 1 0 315.421 2.029 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001272638225 1079027655 /nfs/dbraw/zinc/02/76/55/1079027655.db2.gz PGVVFNXOVVHTHZ-CYBMUJFWSA-N 1 0 308.809 2.394 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC001560385216 1075139117 /nfs/dbraw/zinc/13/91/17/1075139117.db2.gz QQOZFOAIDUKDQI-KDOFPFPSSA-N 1 0 301.434 2.295 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCc2nc(C)n[nH]2)cc1F ZINC001560402325 1075139215 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COc1ccc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1C ZINC001656908536 1080137251 /nfs/dbraw/zinc/13/72/51/1080137251.db2.gz IHMZMSKULDRBHE-JTQLQIEISA-N 1 0 304.312 2.160 20 10 DECDRO C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001658707334 1080215777 /nfs/dbraw/zinc/21/57/77/1080215777.db2.gz KQLZMLRMBYQURR-AWEZNQCLSA-N 1 0 306.450 2.144 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC001659931245 1080257397 /nfs/dbraw/zinc/25/73/97/1080257397.db2.gz DKWHEZLCNULLLX-UHFFFAOYSA-N 1 0 322.311 2.407 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)[C@H]1CN(C)CCN1C ZINC001660047333 1080260890 /nfs/dbraw/zinc/26/08/90/1080260890.db2.gz IVJOGPATGPGGIX-KBXCAEBGSA-N 1 0 313.445 2.269 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@H]2c2nc(C)no2)c1O ZINC001665386785 1081021831 /nfs/dbraw/zinc/02/18/31/1081021831.db2.gz KKZDDEZJFHTZKW-SWLSCSKDSA-N 1 0 319.361 2.020 20 10 DECDRO CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2)C(C)C ZINC001276914404 1083677948 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CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001235674953 1084496414 /nfs/dbraw/zinc/49/64/14/1084496414.db2.gz JSXXCRFUMJKKLK-AEFFLSMTSA-N 1 0 307.434 2.255 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC3(CN(C(=O)NC(C)C)C3)C2)c(O)c1 ZINC001276364849 1085504272 /nfs/dbraw/zinc/50/42/72/1085504272.db2.gz GPKKGOBNHVVETQ-UHFFFAOYSA-N 1 0 317.433 2.245 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000702285714 1086422068 /nfs/dbraw/zinc/42/20/68/1086422068.db2.gz PDGRDTLSFZAHDD-LBPRGKRZSA-N 1 0 318.236 2.112 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC001276132729 1091584674 /nfs/dbraw/zinc/58/46/74/1091584674.db2.gz JMKFFNYMTJQPSA-WMLDXEAASA-N 1 0 303.450 2.374 20 10 DECDRO COc1ccc(O)c(CN2CC3(C2)C[NH+](C2CCCC2)C3)c1 ZINC001275279323 1091649644 /nfs/dbraw/zinc/64/96/44/1091649644.db2.gz XPMYGHFERGSCLV-UHFFFAOYSA-N 1 0 302.418 2.461 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)cc1Br ZINC001250120598 1091874454 /nfs/dbraw/zinc/87/44/54/1091874454.db2.gz KGTWWLIULZSVHO-CYBMUJFWSA-N 1 0 300.196 2.420 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CCCCO3)C2)c(O)c1 ZINC001277566499 1138330439 /nfs/dbraw/zinc/33/04/39/1138330439.db2.gz KBADUIRBCVZNCU-HNNXBMFYSA-N 1 0 316.401 2.077 20 10 DECDRO CCN(CC)c1ccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236164297 1138335630 /nfs/dbraw/zinc/33/56/30/1138335630.db2.gz XITSVZCMKUCRQM-GOSISDBHSA-N 1 0 317.477 2.222 20 10 DECDRO COCCN(Cc1cc(F)c(Cl)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236328764 1138352907 /nfs/dbraw/zinc/35/29/07/1138352907.db2.gz ISVPTZWVJXWYJE-LBPRGKRZSA-N 1 0 316.804 2.385 20 10 DECDRO COc1cc(O)c(CN2CCc3cnccc3C2)cc1OC ZINC001236751801 1138407867 /nfs/dbraw/zinc/40/78/67/1138407867.db2.gz YTAIZZRPVXUCLN-UHFFFAOYSA-N 1 0 300.358 2.363 20 10 DECDRO C[C@@]1(O)CCCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236774655 1138423739 /nfs/dbraw/zinc/42/37/39/1138423739.db2.gz GPCAUBGOFJOURH-CYBMUJFWSA-N 1 0 316.195 2.207 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001236827197 1138441076 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Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237053373 1138491232 /nfs/dbraw/zinc/49/12/32/1138491232.db2.gz KSPVJWTXLCGOCL-WCQYABFASA-N 1 0 323.286 2.238 20 10 DECDRO OCC1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237114687 1138507028 /nfs/dbraw/zinc/50/70/28/1138507028.db2.gz CSEMUVLFUYWQFJ-UHFFFAOYSA-N 1 0 305.296 2.495 20 10 DECDRO COCC[N@H+](Cc1c(C)cccc1O)C1CCN(C(C)=O)CC1 ZINC001237489067 1138655084 /nfs/dbraw/zinc/65/50/84/1138655084.db2.gz DOOVRICFXIKGSB-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(O)c(OC)c1 ZINC001237670243 1138747034 /nfs/dbraw/zinc/74/70/34/1138747034.db2.gz QZVVJFOHFXYZGF-QGZVFWFLSA-N 1 0 309.406 2.394 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1Br ZINC001237677470 1138751261 /nfs/dbraw/zinc/75/12/61/1138751261.db2.gz NMKWDCJTESTZTQ-AAEUAGOBSA-N 1 0 318.186 2.368 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1cc(Br)c(C)cc1O ZINC001237678745 1138753557 /nfs/dbraw/zinc/75/35/57/1138753557.db2.gz LVQUBEQMNXPHQG-UHFFFAOYSA-N 1 0 315.211 2.160 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(O)c(OC)c1 ZINC001237680339 1138756311 /nfs/dbraw/zinc/75/63/11/1138756311.db2.gz JDTVBJOVTSNOOB-LLVKDONJSA-N 1 0 319.361 2.090 20 10 DECDRO C[N@H+](C1CN(Cc2cc(F)c(Cl)cc2O)C1)[C@@H]1CCOC1 ZINC001237950688 1138812317 /nfs/dbraw/zinc/81/23/17/1138812317.db2.gz YWADEKVZLIEQHN-LLVKDONJSA-N 1 0 314.788 2.090 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC3(CCCNC3=O)CC2)c1O ZINC001238062236 1138819413 /nfs/dbraw/zinc/81/94/13/1138819413.db2.gz OEAJHHPTIYKIIM-UHFFFAOYSA-N 1 0 306.381 2.332 20 10 DECDRO COCCCC[NH+]1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238065782 1138819556 /nfs/dbraw/zinc/81/95/56/1138819556.db2.gz FDAIXXUAJNIPTI-UHFFFAOYSA-N 1 0 310.413 2.384 20 10 DECDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318970835 1140482524 /nfs/dbraw/zinc/48/25/24/1140482524.db2.gz JLMWRMBQXZCHTH-GOSISDBHSA-N 1 0 323.456 2.218 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319738309 1140700598 /nfs/dbraw/zinc/70/05/98/1140700598.db2.gz XREKPXXWYFWNLE-IAGOWNOFSA-N 1 0 301.434 2.291 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2F)CC1 ZINC001320170482 1140833775 /nfs/dbraw/zinc/83/37/75/1140833775.db2.gz DLEDJGRRUZZJSX-HNNXBMFYSA-N 1 0 321.440 2.094 20 10 DECDRO CC[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1ccccc1O ZINC001320713632 1140897303 /nfs/dbraw/zinc/89/73/03/1140897303.db2.gz YWCSORMRIWBDNY-KOLCDFICSA-N 1 0 304.312 2.500 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c1 ZINC001249172230 1141856373 /nfs/dbraw/zinc/85/63/73/1141856373.db2.gz JUOXCVWSWNILQJ-ACJLOTCBSA-N 1 0 321.417 2.091 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1 ZINC001249177617 1141857215 /nfs/dbraw/zinc/85/72/15/1141857215.db2.gz GCNDAJSYLNWFKA-GOSISDBHSA-N 1 0 321.417 2.091 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c(O)c1 ZINC001249201017 1141858988 /nfs/dbraw/zinc/85/89/88/1141858988.db2.gz AZWDQIFOSLVIPM-HNNXBMFYSA-N 1 0 307.390 2.109 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)ccc2O1 ZINC001249223266 1141862153 /nfs/dbraw/zinc/86/21/53/1141862153.db2.gz CZIVYINFBSSIJG-KBPBESRZSA-N 1 0 307.365 2.481 20 10 DECDRO Cc1cc(C[NH+]2CCC(O)CC2)c(O)cc1Br ZINC001250116628 1142082733 /nfs/dbraw/zinc/08/27/33/1142082733.db2.gz DZJFSJQKEVEGSY-UHFFFAOYSA-N 1 0 300.196 2.420 20 10 DECDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1COCCO1 ZINC001324487940 1142087606 /nfs/dbraw/zinc/08/76/06/1142087606.db2.gz LQIGKPQAHINJEC-INIZCTEOSA-N 1 0 303.358 2.403 20 10 DECDRO Oc1cccc2c1C[N@H+](C[C@@H](O)COc1cccc(F)c1)CC2 ZINC001250805998 1142320717 /nfs/dbraw/zinc/32/07/17/1142320717.db2.gz LQPKTWHAULWXMH-OAHLLOKOSA-N 1 0 317.360 2.329 20 10 DECDRO C[C@H](c1nc(-c2ccc(O)c(O)c2)cs1)N1CC[NH2+]CC1 ZINC001337621782 1142774862 /nfs/dbraw/zinc/77/48/62/1142774862.db2.gz KUUNGNMMNBSFJR-SNVBAGLBSA-N 1 0 305.403 2.188 20 10 DECDRO COc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC001252887332 1142827531 /nfs/dbraw/zinc/82/75/31/1142827531.db2.gz FLCIESCZELLTDL-OAHLLOKOSA-N 1 0 317.385 2.273 20 10 DECDRO COc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC001252904905 1142828642 /nfs/dbraw/zinc/82/86/42/1142828642.db2.gz IHAJGDUCVSQISN-ZIAGYGMSSA-N 1 0 317.385 2.491 20 10 DECDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001338751777 1142875787 /nfs/dbraw/zinc/87/57/87/1142875787.db2.gz QZKKKMUJKDBLKT-CQSZACIVSA-N 1 0 300.406 2.406 20 10 DECDRO CCOC(=O)CN1CCC([N@H+](CC)Cc2ccccc2O)CC1 ZINC001254411176 1143105823 /nfs/dbraw/zinc/10/58/23/1143105823.db2.gz MCMGVKYUQMPQOV-UHFFFAOYSA-N 1 0 320.433 2.242 20 10 DECDRO COc1ccc(CNC(=O)c2cc3c(s2)C[NH2+]CC3)c(O)c1 ZINC001340454435 1143349129 /nfs/dbraw/zinc/34/91/29/1143349129.db2.gz ZGZFDXGDOFLZFZ-UHFFFAOYSA-N 1 0 318.398 2.038 20 10 DECDRO CCOC(=O)C1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001255251855 1143523416 /nfs/dbraw/zinc/52/34/16/1143523416.db2.gz LMIJXRYCRYYBEH-UHFFFAOYSA-N 1 0 307.390 2.352 20 10 DECDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351568 1143587937 /nfs/dbraw/zinc/58/79/37/1143587937.db2.gz SZIKNGCTMLIBHK-GRDNDAEWSA-N 1 0 319.449 2.154 20 10 DECDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC001341677391 1143663209 /nfs/dbraw/zinc/66/32/09/1143663209.db2.gz NGZWCSFEHBXMLE-CJNGLKHVSA-N 1 0 303.450 2.449 20 10 DECDRO Cc1cc(C(=O)NOC[C@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC001341956746 1143753121 /nfs/dbraw/zinc/75/31/21/1143753121.db2.gz BZBZRKURJHKTBE-LBPRGKRZSA-N 1 0 301.390 2.411 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCC(CO)CC2)cc1 ZINC001261365887 1144238894 /nfs/dbraw/zinc/23/88/94/1144238894.db2.gz BDVBAIFELLBIKO-ARJAWSKDSA-N 1 0 317.477 2.060 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCCC[C@H]3[NH3+])ccc21 ZINC001261501725 1144252544 /nfs/dbraw/zinc/25/25/44/1144252544.db2.gz LQDIIKPPNJRXAC-HZPDHXFCSA-N 1 0 301.434 2.203 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C23CC(C2)C[NH2+]3)cc1 ZINC001263093970 1144355249 /nfs/dbraw/zinc/35/52/49/1144355249.db2.gz RQWRIPQBFRZBIP-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1O ZINC001308507092 1147476160 /nfs/dbraw/zinc/47/61/60/1147476160.db2.gz YFBQMUBVFYWQJO-ZDUSSCGKSA-N 1 0 309.373 2.278 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c1 ZINC001308613684 1147481751 /nfs/dbraw/zinc/48/17/51/1147481751.db2.gz LOOOQLUBBQSPRS-ZDUSSCGKSA-N 1 0 306.406 2.187 20 10 DECDRO CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324832113 1147851491 /nfs/dbraw/zinc/85/14/91/1147851491.db2.gz GSAYSAFQJIVMBE-INIZCTEOSA-N 1 0 317.393 2.311 20 10 DECDRO O=C1COc2ccccc2N1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC001324848052 1147852570 /nfs/dbraw/zinc/85/25/70/1147852570.db2.gz LXZVAYBVRQIHFO-AWEZNQCLSA-N 1 0 324.380 2.395 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)C[NH2+]C(C)(C)C)C2)cc1 ZINC001326618137 1148166546 /nfs/dbraw/zinc/16/65/46/1148166546.db2.gz VOGXTXYBBQHCMU-AWEZNQCLSA-N 1 0 319.449 2.026 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CCF)CCC2)cc1 ZINC001326937968 1148295361 /nfs/dbraw/zinc/29/53/61/1148295361.db2.gz QXDSCTGGIYJODN-UHFFFAOYSA-N 1 0 321.356 2.061 20 10 DECDRO C[NH2+]C[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000418093458 529991988 /nfs/dbraw/zinc/99/19/88/529991988.db2.gz BYUUVUDTNBWRJZ-AWEZNQCLSA-N 1 0 314.433 2.238 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC2CCN(C(C)=O)CC2)c1O ZINC001353584290 1151840181 /nfs/dbraw/zinc/84/01/81/1151840181.db2.gz LYQQMTWMKDZMKD-UHFFFAOYSA-N 1 0 306.406 2.057 20 10 DECDRO CSCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)N(C)C ZINC000834803897 649849290 /nfs/dbraw/zinc/84/92/90/649849290.db2.gz ZXELNJLIDOMXHZ-OLZOCXBDSA-N 1 0 308.447 2.179 20 10 DECDRO COc1cccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)c1O ZINC000073441034 191316916 /nfs/dbraw/zinc/31/69/16/191316916.db2.gz AJAIASSQBRLIET-UHFFFAOYSA-N 1 0 323.437 2.319 20 10 DECDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC4(CC4)c4ccccc43)c21 ZINC000592536627 357899657 /nfs/dbraw/zinc/89/96/57/357899657.db2.gz YKWVRNKYELINOB-ZDUSSCGKSA-N 1 0 322.412 2.411 20 10 DECDRO COc1cccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000105650460 194117774 /nfs/dbraw/zinc/11/77/74/194117774.db2.gz RTSKKEHBDINXOA-XQQFMLRXSA-N 1 0 306.406 2.278 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1O ZINC000378347693 533476312 /nfs/dbraw/zinc/47/63/12/533476312.db2.gz BIUZIQQEEFUKRF-CYBMUJFWSA-N 1 0 303.362 2.472 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000273533152 130133764 /nfs/dbraw/zinc/13/37/64/130133764.db2.gz WTIWINHFDXGHES-ZYHUDNBSSA-N 1 0 317.389 2.492 20 10 DECDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000274627209 130250675 /nfs/dbraw/zinc/25/06/75/130250675.db2.gz HETHPPBYOXGHMP-MRXNPFEDSA-N 1 0 324.465 2.473 20 10 DECDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275337372 130306203 /nfs/dbraw/zinc/30/62/03/130306203.db2.gz OAOJIJFDIGJHBU-KOLCDFICSA-N 1 0 318.211 2.121 20 10 DECDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000275536193 130332598 /nfs/dbraw/zinc/33/25/98/130332598.db2.gz MHOGQNVHEABJMI-ZFWWWQNUSA-N 1 0 305.353 2.368 20 10 DECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284993164 131128988 /nfs/dbraw/zinc/12/89/88/131128988.db2.gz COGHARLSPBCPBR-GXTWGEPZSA-N 1 0 304.390 2.180 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289224628 131366706 /nfs/dbraw/zinc/36/67/06/131366706.db2.gz CSJPAKMEABKPIC-GOEBONIOSA-N 1 0 320.433 2.086 20 10 DECDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000289275273 131370347 /nfs/dbraw/zinc/37/03/47/131370347.db2.gz GRPWMBBGDBUDGI-CYBMUJFWSA-N 1 0 321.270 2.459 20 10 DECDRO C[N@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000289534775 131393213 /nfs/dbraw/zinc/39/32/13/131393213.db2.gz HUVITZSFHALMJO-UHFFFAOYSA-N 1 0 314.385 2.278 20 10 DECDRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297710175 132030096 /nfs/dbraw/zinc/03/00/96/132030096.db2.gz MTBZUUGRQBCJRY-OAHLLOKOSA-N 1 0 312.369 2.033 20 10 DECDRO CCC[N@H+](CC(=O)NC)Cc1cc(Br)ccc1O ZINC000133294655 401881485 /nfs/dbraw/zinc/88/14/85/401881485.db2.gz LFFLTLUMARWAQC-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000119081884 401924156 /nfs/dbraw/zinc/92/41/56/401924156.db2.gz XMBHINJQBZBUPL-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000119879353 401970124 /nfs/dbraw/zinc/97/01/24/401970124.db2.gz YNVVPMWRVLRYKX-INIZCTEOSA-N 1 0 321.490 2.148 20 10 DECDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000153160043 402130191 /nfs/dbraw/zinc/13/01/91/402130191.db2.gz YQDFYNJDWVFZCB-INIZCTEOSA-N 1 0 319.449 2.075 20 10 DECDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000070976683 402268308 /nfs/dbraw/zinc/26/83/08/402268308.db2.gz PHNVBFSNVGIMOE-INIZCTEOSA-N 1 0 301.390 2.307 20 10 DECDRO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000185352960 402346459 /nfs/dbraw/zinc/34/64/59/402346459.db2.gz KXVPWRPHYKJUNN-AWEZNQCLSA-N 1 0 323.456 2.456 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000186375187 402426070 /nfs/dbraw/zinc/42/60/70/402426070.db2.gz GRXJYBILAKSDIV-UONOGXRCSA-N 1 0 307.390 2.273 20 10 DECDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186605572 402447283 /nfs/dbraw/zinc/44/72/83/402447283.db2.gz YPFXRFNXLQZLCT-KBPBESRZSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186995535 402476382 /nfs/dbraw/zinc/47/63/82/402476382.db2.gz MPVKWTXLOROFMD-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000187139302 402484486 /nfs/dbraw/zinc/48/44/86/402484486.db2.gz HHOFPIMDTQASFC-ZDUSSCGKSA-N 1 0 304.390 2.046 20 10 DECDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(O)c1O ZINC000187176610 402486352 /nfs/dbraw/zinc/48/63/52/402486352.db2.gz NTCLEKLMGKRAJA-UHFFFAOYSA-N 1 0 320.414 2.363 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c1O ZINC000179520742 402593721 /nfs/dbraw/zinc/59/37/21/402593721.db2.gz HYZLVAGEJZXTFH-CQSZACIVSA-N 1 0 318.417 2.354 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(O)c1 ZINC000179578062 402594846 /nfs/dbraw/zinc/59/48/46/402594846.db2.gz HJZNMGYZHJXVKP-MRXNPFEDSA-N 1 0 309.406 2.154 20 10 DECDRO COc1c(O)c(C[N@H+](C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000278299630 402862992 /nfs/dbraw/zinc/86/29/92/402862992.db2.gz VQCVMIMDGOKDIF-UHFFFAOYSA-N 1 0 310.350 2.167 20 10 DECDRO COc1c([O-])c(C[NH2+]CC2(O)CCCCC2)ccc1[N+](=O)[O-] ZINC000278619535 402869092 /nfs/dbraw/zinc/86/90/92/402869092.db2.gz FQKQUHLMBQVTSS-UHFFFAOYSA-N 1 0 310.350 2.094 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278711928 402870060 /nfs/dbraw/zinc/87/00/60/402870060.db2.gz OPOIOBKPKXFINL-UHFFFAOYSA-N 1 0 317.433 2.408 20 10 DECDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278824298 402875370 /nfs/dbraw/zinc/87/53/70/402875370.db2.gz OKQQVSQEGKYCAY-ZIAGYGMSSA-N 1 0 310.413 2.474 20 10 DECDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000264599260 402890868 /nfs/dbraw/zinc/89/08/68/402890868.db2.gz NBWJCKAJQQXUTD-QGZVFWFLSA-N 1 0 303.450 2.097 20 10 DECDRO CNC(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279538732 402953310 /nfs/dbraw/zinc/95/33/10/402953310.db2.gz AFGRXGHYMITXKP-UHFFFAOYSA-N 1 0 317.355 2.387 20 10 DECDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279265313 402923952 /nfs/dbraw/zinc/92/39/52/402923952.db2.gz MTNRHWWRCSQZKL-RHSMWYFYSA-N 1 0 303.450 2.489 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000281679617 403081155 /nfs/dbraw/zinc/08/11/55/403081155.db2.gz FENBICZWWBEEOF-IBGZPJMESA-N 1 0 303.811 2.055 20 10 DECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268820719 403117730 /nfs/dbraw/zinc/11/77/30/403117730.db2.gz HONWHTRMZHRDER-CHWSQXEVSA-N 1 0 310.413 2.300 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)cc1 ZINC000268926001 403121481 /nfs/dbraw/zinc/12/14/81/403121481.db2.gz WAMHFEVACCZEDX-SUMWQHHRSA-N 1 0 302.422 2.260 20 10 DECDRO Cc1c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cnn1C ZINC000268962992 403122059 /nfs/dbraw/zinc/12/20/59/403122059.db2.gz YBGVRPYWMNGFRF-UHFFFAOYSA-N 1 0 314.433 2.197 20 10 DECDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268998921 403122596 /nfs/dbraw/zinc/12/25/96/403122596.db2.gz IRGLILDNCYYUAL-KBPBESRZSA-N 1 0 310.413 2.474 20 10 DECDRO COC[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000283095072 403170542 /nfs/dbraw/zinc/17/05/42/403170542.db2.gz SKTXYNNFQKUWGY-MRXNPFEDSA-N 1 0 317.385 2.068 20 10 DECDRO CCOCc1cc(C[NH2+]CC2([S@@](C)=O)CC2)ccc1OC ZINC000282424595 403152742 /nfs/dbraw/zinc/15/27/42/403152742.db2.gz QZKRZBGZGGCQQN-OAQYLSRUSA-N 1 0 311.447 2.232 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282659626 403157977 /nfs/dbraw/zinc/15/79/77/403157977.db2.gz IOMUAPUNQSTFDH-PBHICJAKSA-N 1 0 305.418 2.358 20 10 DECDRO O=S(=O)(CC[NH2+]Cc1ccccc1O)CCc1ccccc1 ZINC000282695846 403158497 /nfs/dbraw/zinc/15/84/97/403158497.db2.gz OLHQCRHKODZAOV-UHFFFAOYSA-N 1 0 319.426 2.139 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000270738220 403218978 /nfs/dbraw/zinc/21/89/78/403218978.db2.gz QZKFFXVXZZSEQH-QGZVFWFLSA-N 1 0 313.445 2.293 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000271099528 403263990 /nfs/dbraw/zinc/26/39/90/403263990.db2.gz JVCRUAUSKRCCOR-OAHLLOKOSA-N 1 0 320.433 2.099 20 10 DECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000292198730 403318349 /nfs/dbraw/zinc/31/83/49/403318349.db2.gz RJJMZDNTEXKBRA-ZDUSSCGKSA-N 1 0 323.437 2.320 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280619461 286338300 /nfs/dbraw/zinc/33/83/00/286338300.db2.gz ZPGIVZFHGKTBGP-DCGLDWPTSA-N 1 0 307.390 2.169 20 10 DECDRO Cc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)ccc1N(C)C ZINC000293478523 403483460 /nfs/dbraw/zinc/48/34/60/403483460.db2.gz FOARYTPZRIALLK-SJLPKXTDSA-N 1 0 317.477 2.356 20 10 DECDRO COc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000293785084 403563650 /nfs/dbraw/zinc/56/36/50/403563650.db2.gz CAUFIDHZLCILRL-UHFFFAOYSA-N 1 0 319.317 2.002 20 10 DECDRO CC[C@@H](CSC)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299711058 403565064 /nfs/dbraw/zinc/56/50/64/403565064.db2.gz QIJRJFZKGRVWIG-HNNXBMFYSA-N 1 0 323.506 2.442 20 10 DECDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000295294054 403838265 /nfs/dbraw/zinc/83/82/65/403838265.db2.gz UNUCGKNPCQMAEV-CYBMUJFWSA-N 1 0 308.422 2.326 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289832397 404002543 /nfs/dbraw/zinc/00/25/43/404002543.db2.gz UJBXQJXMEPJZRC-DGCLKSJQSA-N 1 0 319.323 2.394 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(O)c1 ZINC000363870653 404233157 /nfs/dbraw/zinc/23/31/57/404233157.db2.gz WMTMKUYGHHLJCH-ZIAGYGMSSA-N 1 0 300.406 2.364 20 10 DECDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCC1 ZINC000297239741 286587410 /nfs/dbraw/zinc/58/74/10/286587410.db2.gz ILJXMKOGNFZDRM-ZDUSSCGKSA-N 1 0 309.431 2.327 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+](C)C1CC1 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20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)c1 ZINC001348901040 1151207772 /nfs/dbraw/zinc/20/77/72/1151207772.db2.gz SXFUIQUCLXMATO-LZWOXQAQSA-N 1 0 302.418 2.437 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)CC2 ZINC000835035325 649869511 /nfs/dbraw/zinc/86/95/11/649869511.db2.gz AQBVOBUUQVEQHJ-AWFCHZOYSA-N 1 0 311.433 2.270 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCOC2=O)cc1 ZINC000835035333 649869606 /nfs/dbraw/zinc/86/96/06/649869606.db2.gz AQUYSLSXOKEXND-HYXAFXHYSA-N 1 0 303.406 2.198 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCNC(=O)c2ccco2)cc1 ZINC000835036071 649869917 /nfs/dbraw/zinc/86/99/17/649869917.db2.gz MVCSGBHAJKSRDF-HYXAFXHYSA-N 1 0 313.401 2.378 20 10 DECDRO C[C@@H](CN1CCOCC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035763 649870009 /nfs/dbraw/zinc/87/00/09/649870009.db2.gz LXNIAVIGTCNIIC-APHBUQMISA-N 1 0 303.450 2.076 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000180194016 520580056 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Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000157912267 524151511 /nfs/dbraw/zinc/15/15/11/524151511.db2.gz UMLXENBMPBJYDR-ZBFHGGJFSA-N 1 0 312.417 2.346 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000179931038 524739433 /nfs/dbraw/zinc/73/94/33/524739433.db2.gz OGSKPHZWLUVDJE-AWEZNQCLSA-N 1 0 320.433 2.385 20 10 DECDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000134005795 524954312 /nfs/dbraw/zinc/95/43/12/524954312.db2.gz GQCJQKUPXQWRBZ-HOTGVXAUSA-N 1 0 314.433 2.459 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)N(C)C ZINC000188993114 525528423 /nfs/dbraw/zinc/52/84/23/525528423.db2.gz ANUYMESVOJUMKS-IUCAKERBSA-N 1 0 315.211 2.282 20 10 DECDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccccc1O ZINC000174523239 527015430 /nfs/dbraw/zinc/01/54/30/527015430.db2.gz ZTACGXHKMGFHKZ-UHFFFAOYSA-N 1 0 312.369 2.298 20 10 DECDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000273383990 536412303 /nfs/dbraw/zinc/41/23/03/536412303.db2.gz 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DECDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970831753 623731082 /nfs/dbraw/zinc/73/10/82/623731082.db2.gz ZBYAVWDUKGDZTJ-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO CCC[C@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251067 623797572 /nfs/dbraw/zinc/79/75/72/623797572.db2.gz CUXVOBBFESLMRC-WMZOPIPTSA-N 1 0 321.465 2.023 20 10 DECDRO CCC[C@H](O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253444 623799251 /nfs/dbraw/zinc/79/92/51/623799251.db2.gz SLUJFOJUBJKUCS-IRXDYDNUSA-N 1 0 321.465 2.023 20 10 DECDRO COCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255706 623804544 /nfs/dbraw/zinc/80/45/44/623804544.db2.gz RHMVYBBIYHYSPH-KRWDZBQOSA-N 1 0 321.465 2.288 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000725847963 625042055 /nfs/dbraw/zinc/04/20/55/625042055.db2.gz YFAHBIOSXVLPOM-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO COc1cccc(C[NH2+]CC(=O)Nc2cccc(F)c2)c1O ZINC000725850066 625130432 /nfs/dbraw/zinc/13/04/32/625130432.db2.gz IFCVIOHOPBMQGL-UHFFFAOYSA-N 1 0 304.321 2.268 20 10 DECDRO COc1ccc(C[NH2+]CCCOCC(F)(F)F)c(O)c1OC ZINC000892553535 625144112 /nfs/dbraw/zinc/14/41/12/625144112.db2.gz OTZVQYYNTGSOJP-UHFFFAOYSA-N 1 0 323.311 2.468 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000179628218 625159253 /nfs/dbraw/zinc/15/92/53/625159253.db2.gz FLPCBEDBOAGVQA-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000892468745 625769112 /nfs/dbraw/zinc/76/91/12/625769112.db2.gz AXXKYQKMKZFESF-ZBFVHZJFSA-N 1 0 319.405 2.127 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840878677 625801528 /nfs/dbraw/zinc/80/15/28/625801528.db2.gz IYIDODIJGGNUCM-ZDUSSCGKSA-N 1 0 310.463 2.371 20 10 DECDRO CCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000979152294 634516366 /nfs/dbraw/zinc/51/63/66/634516366.db2.gz CWTPCCXWBCSMLB-RHSMWYFYSA-N 1 0 320.433 2.119 20 10 DECDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000836238972 650069160 /nfs/dbraw/zinc/06/91/60/650069160.db2.gz VJWNOZJICCUAJL-MRXNPFEDSA-N 1 0 318.465 2.378 20 10 DECDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000733800268 633287319 /nfs/dbraw/zinc/28/73/19/633287319.db2.gz KJQIVZDXRCVGLS-KRWDZBQOSA-N 1 0 302.418 2.358 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734671617 633417161 /nfs/dbraw/zinc/41/71/61/633417161.db2.gz PKDDUFDVDWWKPV-HNNXBMFYSA-N 1 0 316.449 2.097 20 10 DECDRO CC(C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccnn1C ZINC000788074719 633566054 /nfs/dbraw/zinc/56/60/54/633566054.db2.gz DDCXKVOUHLPHQL-ZDUSSCGKSA-N 1 0 317.389 2.384 20 10 DECDRO COc1cc(N(C)CC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000893460935 633792397 /nfs/dbraw/zinc/79/23/97/633792397.db2.gz IRWDOJCFOXJAKZ-UHFFFAOYSA-N 1 0 308.422 2.490 20 10 DECDRO Brc1c[nH]c(CNCc2ccc3c(c2)CCO3)n1 ZINC000921652923 634250764 /nfs/dbraw/zinc/25/07/64/634250764.db2.gz ZATAUHNSPBGLBE-UHFFFAOYSA-N 1 0 308.179 2.397 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000066972353 635197013 /nfs/dbraw/zinc/19/70/13/635197013.db2.gz OQYZENFAEOZKSB-SUMWQHHRSA-N 1 0 308.397 2.319 20 10 DECDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922113067 635875048 /nfs/dbraw/zinc/87/50/48/635875048.db2.gz JCXPHKOFPYQGPE-DOTOQJQBSA-N 1 0 307.434 2.259 20 10 DECDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922135128 635886992 /nfs/dbraw/zinc/88/69/92/635886992.db2.gz ORWOBLANPUJSPD-UHFFFAOYSA-N 1 0 310.397 2.329 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000840975196 635992505 /nfs/dbraw/zinc/99/25/05/635992505.db2.gz MDZIEDFTWJUZGX-UHFFFAOYSA-N 1 0 324.490 2.366 20 10 DECDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000840976867 636006531 /nfs/dbraw/zinc/00/65/31/636006531.db2.gz YSDUQFJOTYIQKI-MJGOQNOKSA-N 1 0 320.477 2.488 20 10 DECDRO O=C1O[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CN1C1CC1 ZINC000922226149 636013130 /nfs/dbraw/zinc/01/31/30/636013130.db2.gz ISIFSCBPUPNDHU-OAHLLOKOSA-N 1 0 302.374 2.084 20 10 DECDRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922235489 636023883 /nfs/dbraw/zinc/02/38/83/636023883.db2.gz FNLODNXYMJIXJP-UHFFFAOYSA-N 1 0 323.458 2.316 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC3OCCCO3)CC2)cc1 ZINC000922280670 636057871 /nfs/dbraw/zinc/05/78/71/636057871.db2.gz LXPPYUBUYOXONK-UHFFFAOYSA-N 1 0 306.406 2.017 20 10 DECDRO CC(C)[N@H+](CCO)Cc1cc(Br)cc(F)c1[O-] ZINC000893893700 636061863 /nfs/dbraw/zinc/06/18/63/636061863.db2.gz GGBYQMMHVOBFMS-UHFFFAOYSA-N 1 0 306.175 2.497 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)CCc2ccccc2)c1O ZINC000922544935 636232569 /nfs/dbraw/zinc/23/25/69/636232569.db2.gz VOIGNJCWKVWIGO-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCOC[C@H]2CCCO2)c1O ZINC000894153971 636308761 /nfs/dbraw/zinc/30/87/61/636308761.db2.gz QJMQOIPVEGIYHM-OAHLLOKOSA-N 1 0 309.406 2.385 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000922724474 636355917 /nfs/dbraw/zinc/35/59/17/636355917.db2.gz KBNHGPNVBSLKLX-WHHQMRSUSA-N 1 0 302.418 2.159 20 10 DECDRO COC(=O)N1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894205334 636418135 /nfs/dbraw/zinc/41/81/35/636418135.db2.gz XHGYYXUIMBMHDK-UHFFFAOYSA-N 1 0 308.378 2.030 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCO[C@H]3CCOC3)CC2)cc1 ZINC000929317225 636420606 /nfs/dbraw/zinc/42/06/06/636420606.db2.gz WPNZRCFJURWEDS-SFHVURJKSA-N 1 0 320.433 2.013 20 10 DECDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209164 636449142 /nfs/dbraw/zinc/44/91/42/636449142.db2.gz OSCPJAAAFKGELV-ZFWWWQNUSA-N 1 0 324.371 2.213 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1C ZINC000922971466 636890913 /nfs/dbraw/zinc/89/09/13/636890913.db2.gz YZNNIDNHLFLXDN-MRXNPFEDSA-N 1 0 303.406 2.341 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000237139248 636946545 /nfs/dbraw/zinc/94/65/45/636946545.db2.gz HVSVXDNPPDKXSU-GOSISDBHSA-N 1 0 311.429 2.100 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000923190535 637021225 /nfs/dbraw/zinc/02/12/25/637021225.db2.gz OSYJGQRUSYAAQZ-LLVKDONJSA-N 1 0 309.385 2.203 20 10 DECDRO CC(=O)OC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000894433027 637036964 /nfs/dbraw/zinc/03/69/64/637036964.db2.gz ZIELOZHRLRIDDL-MRVPVSSYSA-N 1 0 302.168 2.196 20 10 DECDRO Cc1cccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000839172646 637809538 /nfs/dbraw/zinc/80/95/38/637809538.db2.gz KGSPDMHAHBTWIU-OAHLLOKOSA-N 1 0 321.417 2.206 20 10 DECDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccn(C)n1 ZINC000839191994 637815652 /nfs/dbraw/zinc/81/56/52/637815652.db2.gz RQXOQXFJHFNFHU-HNNXBMFYSA-N 1 0 313.449 2.023 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1O ZINC000895237850 637829331 /nfs/dbraw/zinc/82/93/31/637829331.db2.gz VBVUWKLUGZQEEH-ZMOMAAQPSA-N 1 0 311.447 2.489 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1O ZINC000895337531 637941550 /nfs/dbraw/zinc/94/15/50/637941550.db2.gz XHYYMDMCXMZTIC-SFHVURJKSA-N 1 0 323.433 2.367 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CCCO)c(Cl)c1 ZINC000840951037 650394369 /nfs/dbraw/zinc/39/43/69/650394369.db2.gz RLCFBBPDCRPXEW-ZDUSSCGKSA-N 1 0 312.841 2.290 20 10 DECDRO C[NH+](C)C1(CNC(=O)C2=CC(=O)CS2)Cc2ccccc2C1 ZINC000743562481 638157004 /nfs/dbraw/zinc/15/70/04/638157004.db2.gz QIMKXYLORFBEAQ-UHFFFAOYSA-N 1 0 316.426 2.283 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000743811732 638175998 /nfs/dbraw/zinc/17/59/98/638175998.db2.gz WMTPILWJYRUXKJ-HIFRSBDPSA-N 1 0 304.438 2.035 20 10 DECDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895784371 638194340 /nfs/dbraw/zinc/19/43/40/638194340.db2.gz GLGUKYIIHZIYAN-LJWDBELGSA-N 1 0 312.207 2.357 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000895795451 638202691 /nfs/dbraw/zinc/20/26/91/638202691.db2.gz WWQDBZRDZLWYSR-NSHDSACASA-N 1 0 320.414 2.383 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1 ZINC000895818032 638214486 /nfs/dbraw/zinc/21/44/86/638214486.db2.gz AUMVWORYYLCXMZ-PVUWLOKVSA-N 1 0 307.390 2.217 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000744448520 638221916 /nfs/dbraw/zinc/22/19/16/638221916.db2.gz KVSFYRZFUXYFHU-QGZVFWFLSA-N 1 0 310.413 2.423 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](O)C2CCCC2)c(O)c1OC ZINC000895876943 638241070 /nfs/dbraw/zinc/24/10/70/638241070.db2.gz IRILSEAGRBDKBV-AWEZNQCLSA-N 1 0 309.406 2.440 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)c2nccnc2C)c(O)c1OC ZINC000895944958 638280300 /nfs/dbraw/zinc/28/03/00/638280300.db2.gz VODVNNWFNRICSX-NSHDSACASA-N 1 0 303.362 2.359 20 10 DECDRO C[C@@]1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC[NH2+]C1 ZINC000841057940 650417080 /nfs/dbraw/zinc/41/70/80/650417080.db2.gz SPELZBYQNRBKLQ-CQSZACIVSA-N 1 0 313.785 2.433 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1NCCc3ccccc31)OCO2 ZINC000841069310 650422157 /nfs/dbraw/zinc/42/21/57/650422157.db2.gz SYGOCGPYAFYDCJ-OAHLLOKOSA-N 1 0 312.369 2.098 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2cc(N(C)C)ccn2)cc1OC ZINC000896299229 638454997 /nfs/dbraw/zinc/45/49/97/638454997.db2.gz WYCFSXYFHMQUMT-UHFFFAOYSA-N 1 0 317.389 2.160 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)CN2CCOCC2)ccc1OC ZINC000747854039 638484534 /nfs/dbraw/zinc/48/45/34/638484534.db2.gz LTWPHIYXLIYVND-HNNXBMFYSA-N 1 0 322.449 2.042 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896398161 638503111 /nfs/dbraw/zinc/50/31/11/638503111.db2.gz YPXFWQNXBZIVTL-RHSMWYFYSA-N 1 0 304.390 2.411 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1 ZINC000896460439 638534195 /nfs/dbraw/zinc/53/41/95/638534195.db2.gz LBNOTPDSEHRZDI-KRWDZBQOSA-N 1 0 320.389 2.111 20 10 DECDRO C[C@@]1(C2CC[NH+](Cc3cc(F)ccc3O)CC2)COC(=O)N1 ZINC000896461064 638535131 /nfs/dbraw/zinc/53/51/31/638535131.db2.gz NDFGIOQWNRVCLQ-INIZCTEOSA-N 1 0 308.353 2.242 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000896625207 638607332 /nfs/dbraw/zinc/60/73/32/638607332.db2.gz JHMCFQKBQPBCQE-UHFFFAOYSA-N 1 0 318.461 2.472 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1OC ZINC000896849075 638721642 /nfs/dbraw/zinc/72/16/42/638721642.db2.gz TWWZIPQATPCOKN-YUTCNCBUSA-N 1 0 305.374 2.090 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2cc(C3CC3)nn2C)cc1OC ZINC000897224350 639258244 /nfs/dbraw/zinc/25/82/44/639258244.db2.gz OUIKOHQCTUNALB-UHFFFAOYSA-N 1 0 317.389 2.310 20 10 DECDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119005 639461619 /nfs/dbraw/zinc/46/16/19/639461619.db2.gz IXZJXJIZROVLGE-QAPCUYQASA-N 1 0 305.466 2.250 20 10 DECDRO CN(CCC(=O)NCc1c(O)cccc1F)c1cc[nH+]cc1 ZINC000928707688 639487137 /nfs/dbraw/zinc/48/71/37/639487137.db2.gz GRDIFNOCSBJEHR-UHFFFAOYSA-N 1 0 303.337 2.069 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000756359290 639654046 /nfs/dbraw/zinc/65/40/46/639654046.db2.gz DCHWPXUCNNSRTD-CYBMUJFWSA-N 1 0 306.406 2.315 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)ccc1O ZINC000756433251 639661892 /nfs/dbraw/zinc/66/18/92/639661892.db2.gz CJOQCWGDCVPWEO-MWLCHTKSSA-N 1 0 316.195 2.221 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)[C@@H]2C)cc1C ZINC000985850661 639664383 /nfs/dbraw/zinc/66/43/83/639664383.db2.gz UZMLQZAVQWUNOY-CZUORRHYSA-N 1 0 302.418 2.493 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756547351 639671893 /nfs/dbraw/zinc/67/18/93/639671893.db2.gz ZXKCZTBUOMFDOJ-YRGRVCCFSA-N 1 0 308.397 2.390 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000756553948 639673951 /nfs/dbraw/zinc/67/39/51/639673951.db2.gz NKRJXFKUTGVDJR-OLZOCXBDSA-N 1 0 306.406 2.171 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)N(C)C ZINC000756737736 639691204 /nfs/dbraw/zinc/69/12/04/639691204.db2.gz ANUYMESVOJUMKS-DTWKUNHWSA-N 1 0 315.211 2.282 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)c2c1c(F)ccc2O ZINC000756735895 639691250 /nfs/dbraw/zinc/69/12/50/639691250.db2.gz CQDYMMROQLRGNQ-WDBKCZKBSA-N 1 0 309.381 2.457 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCCC[C@H]2C)c1 ZINC000839538794 639752793 /nfs/dbraw/zinc/75/27/93/639752793.db2.gz GPQSFUHETLVIKX-OLZOCXBDSA-N 1 0 306.406 2.452 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000839675991 639801651 /nfs/dbraw/zinc/80/16/51/639801651.db2.gz JBFOEAACHYMQLF-QGZVFWFLSA-N 1 0 315.461 2.491 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000841654638 650530218 /nfs/dbraw/zinc/53/02/18/650530218.db2.gz ORTKWLDDEAXCNO-UAGQMJEPSA-N 1 0 316.449 2.021 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654987 650531185 /nfs/dbraw/zinc/53/11/85/650531185.db2.gz QTHNOICLWRGMQN-CJNGLKHVSA-N 1 0 304.438 2.164 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000841792812 650565613 /nfs/dbraw/zinc/56/56/13/650565613.db2.gz GNHRUGSNHQFRDX-UHFFFAOYSA-N 1 0 318.465 2.459 20 10 DECDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1[NH3+] ZINC000841858577 650582198 /nfs/dbraw/zinc/58/21/98/650582198.db2.gz ZZODDXQJGKULEL-WDEREUQCSA-N 1 0 314.480 2.004 20 10 DECDRO COc1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1OC ZINC000897524856 640561795 /nfs/dbraw/zinc/56/17/95/640561795.db2.gz FQRYMVRPROSIBT-UHFFFAOYSA-N 1 0 307.390 2.194 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881602 650591187 /nfs/dbraw/zinc/59/11/87/650591187.db2.gz SWDDNIDHFUQZDY-HIFRSBDPSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(N(C)C)cc1 ZINC000841881132 650591213 /nfs/dbraw/zinc/59/12/13/650591213.db2.gz OORGDBMMECZHEC-BMFZPTHFSA-N 1 0 316.449 2.350 20 10 DECDRO C[C@H](NC(=O)N(C)C1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841883692 650593544 /nfs/dbraw/zinc/59/35/44/650593544.db2.gz VVJKVRVVKARLPZ-ZDUSSCGKSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881957 650592193 /nfs/dbraw/zinc/59/21/93/650592193.db2.gz FSORKODNOXFSEC-UKRRQHHQSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892203 650595736 /nfs/dbraw/zinc/59/57/36/650595736.db2.gz VBQIXCQXDUAGKJ-MBZYTVFJSA-N 1 0 317.477 2.153 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897544806 640761416 /nfs/dbraw/zinc/76/14/16/640761416.db2.gz DQDVHNXXHGIVLQ-CQSZACIVSA-N 1 0 305.422 2.266 20 10 DECDRO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000729684559 640825824 /nfs/dbraw/zinc/82/58/24/640825824.db2.gz RMEWHNGJZDELJY-UHFFFAOYSA-N 1 0 311.857 2.163 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)C3CC3)CC2)cc1 ZINC000765933385 640829735 /nfs/dbraw/zinc/82/97/35/640829735.db2.gz BDSJBJIQQWBJNK-GOSISDBHSA-N 1 0 304.434 2.415 20 10 DECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956517 650611678 /nfs/dbraw/zinc/61/16/78/650611678.db2.gz GHQJGNCKUXGUKY-YOEHRIQHSA-N 1 0 316.449 2.080 20 10 DECDRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841958825 650612601 /nfs/dbraw/zinc/61/26/01/650612601.db2.gz TWYOLUWUILYVKI-NWDGAFQWSA-N 1 0 309.410 2.279 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841939997 650607169 /nfs/dbraw/zinc/60/71/69/650607169.db2.gz WQUUEWPEWYXVDP-MRXNPFEDSA-N 1 0 316.449 2.180 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1Cl ZINC000897623817 640874239 /nfs/dbraw/zinc/87/42/39/640874239.db2.gz KSTJWTQMIFMJOP-LRDDRELGSA-N 1 0 308.809 2.441 20 10 DECDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841988353 650620145 /nfs/dbraw/zinc/62/01/45/650620145.db2.gz UUDGQUJKJHDCDK-BLLLJJGKSA-N 1 0 317.433 2.068 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000766663497 640902853 /nfs/dbraw/zinc/90/28/53/640902853.db2.gz GVMZTEAAZMONGL-HNNXBMFYSA-N 1 0 311.447 2.408 20 10 DECDRO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+](C)C ZINC000897823949 640946102 /nfs/dbraw/zinc/94/61/02/640946102.db2.gz QNMXUSSNVBBGLR-SECBINFHSA-N 1 0 308.403 2.240 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C 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CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768465374 641084402 /nfs/dbraw/zinc/08/44/02/641084402.db2.gz HNYSIJXHIAZERU-GOEBONIOSA-N 1 0 309.431 2.391 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3COC[C@H]3C3CC3)cc2)CC1 ZINC000898377505 641125471 /nfs/dbraw/zinc/12/54/71/641125471.db2.gz VNXRAOHTYPOYEQ-OALUTQOASA-N 1 0 316.445 2.162 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c1 ZINC000769188810 641190798 /nfs/dbraw/zinc/19/07/98/641190798.db2.gz JIYHUEBXYZJVSZ-CYBMUJFWSA-N 1 0 306.406 2.268 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC000769334366 641220700 /nfs/dbraw/zinc/22/07/00/641220700.db2.gz NYSHDVPZHYGHQY-CQSZACIVSA-N 1 0 302.378 2.220 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1 ZINC000769444737 641240968 /nfs/dbraw/zinc/24/09/68/641240968.db2.gz DHHYYKRUQXAMNI-UHFFFAOYSA-N 1 0 319.493 2.421 20 10 DECDRO CN1CCO[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC000769481675 641247936 /nfs/dbraw/zinc/24/79/36/641247936.db2.gz 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CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940259 647387804 /nfs/dbraw/zinc/38/78/04/647387804.db2.gz FBSIKVMKYSNZNP-ZWKOTPCHSA-N 1 0 315.465 2.263 20 10 DECDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2n(n1)CCC2 ZINC000817941872 647389045 /nfs/dbraw/zinc/38/90/45/647389045.db2.gz SMXCLJPWQXEHPG-SUMWQHHRSA-N 1 0 313.449 2.246 20 10 DECDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817952010 647391557 /nfs/dbraw/zinc/39/15/57/647391557.db2.gz MTSRSXHHDWOCAZ-DZGCQCFKSA-N 1 0 307.413 2.065 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817959182 647393486 /nfs/dbraw/zinc/39/34/86/647393486.db2.gz COXGWTBXOXLETI-NJZAAPMLSA-N 1 0 306.406 2.347 20 10 DECDRO C[C@H](NCC1([NH3+])CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965108 647395787 /nfs/dbraw/zinc/39/57/87/647395787.db2.gz PQYPGOQVKJLICK-ZDUSSCGKSA-N 1 0 307.413 2.194 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N2CCCCC2)cc1 ZINC000817984480 647400440 /nfs/dbraw/zinc/40/04/40/647400440.db2.gz YMAUAOLEAVTZNP-QAPCUYQASA-N 1 0 303.450 2.316 20 10 DECDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817984462 647400722 /nfs/dbraw/zinc/40/07/22/647400722.db2.gz TWAHGSOEIXVVFO-HOCLYGCPSA-N 1 0 321.440 2.455 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000817984914 647400884 /nfs/dbraw/zinc/40/08/84/647400884.db2.gz CAEIWXJLXVHABT-GFCCVEGCSA-N 1 0 304.390 2.139 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CN(C)C[C@H]3C)C2)cc1 ZINC000818221484 647435901 /nfs/dbraw/zinc/43/59/01/647435901.db2.gz NHCWGNQDHZPLOD-RKVPGOIHSA-N 1 0 303.450 2.061 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000818224506 647436765 /nfs/dbraw/zinc/43/67/65/647436765.db2.gz LPCDURBHRHBMSI-UHFFFAOYSA-N 1 0 312.479 2.447 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000818361674 647458230 /nfs/dbraw/zinc/45/82/30/647458230.db2.gz MNEGLNLFRBZGAJ-JOYOIKCWSA-N 1 0 310.781 2.152 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccc21 ZINC000818647148 647495372 /nfs/dbraw/zinc/49/53/72/647495372.db2.gz VUNSDBTWGAYZNU-HZPDHXFCSA-N 1 0 316.449 2.138 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000840385261 647669375 /nfs/dbraw/zinc/66/93/75/647669375.db2.gz TWJZOMKUEQQULB-CABCVRRESA-N 1 0 320.481 2.241 20 10 DECDRO COCC(C)(C)[NH+]1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000819893111 647736729 /nfs/dbraw/zinc/73/67/29/647736729.db2.gz DVLXXNFRUUOXSC-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820394552 647836428 /nfs/dbraw/zinc/83/64/28/647836428.db2.gz FULSRGJBRUJGDT-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000821807547 648112138 /nfs/dbraw/zinc/11/21/38/648112138.db2.gz VOUKUSSBSGSAOI-WFASDCNBSA-N 1 0 318.417 2.162 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3csnn3)C2)cc1 ZINC000822494578 648219345 /nfs/dbraw/zinc/21/93/45/648219345.db2.gz RKVABGNERUMIRI-GFCCVEGCSA-N 1 0 304.419 2.163 20 10 DECDRO OCC1([C@H]([NH2+]Cc2ccccc2O)C2CCOCC2)CCC1 ZINC000822525625 648225887 /nfs/dbraw/zinc/22/58/87/648225887.db2.gz KFDBATLTQQOWNA-QGZVFWFLSA-N 1 0 305.418 2.440 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000823650055 648462265 /nfs/dbraw/zinc/46/22/65/648462265.db2.gz OPRWGKCRJWYVGL-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068541869 648475843 /nfs/dbraw/zinc/47/58/43/648475843.db2.gz HRXCDYYCHVGREV-HNNXBMFYSA-N 1 0 319.449 2.042 20 10 DECDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](C)C1 ZINC000824400907 648581571 /nfs/dbraw/zinc/58/15/71/648581571.db2.gz HIYXGPFJVBWXGV-ZDUSSCGKSA-N 1 0 303.366 2.015 20 10 DECDRO OCC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824547935 648608280 /nfs/dbraw/zinc/60/82/80/648608280.db2.gz DYJLJIAXMDONFT-UHFFFAOYSA-N 1 0 300.196 2.359 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824655479 648630458 /nfs/dbraw/zinc/63/04/58/648630458.db2.gz WTCRVFPEEYRNNP-GLQYFDAESA-N 1 0 311.809 2.407 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1O ZINC000824943019 648676007 /nfs/dbraw/zinc/67/60/07/648676007.db2.gz GHWRUULBRUZUCG-RNCFNFMXSA-N 1 0 300.196 2.357 20 10 DECDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000825044991 648690994 /nfs/dbraw/zinc/69/09/94/648690994.db2.gz AJUOZNDNLSASSP-CRAIPNDOSA-N 1 0 313.401 2.365 20 10 DECDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825090862 648701189 /nfs/dbraw/zinc/70/11/89/648701189.db2.gz LKPZGEGYRWTGHO-INIZCTEOSA-N 1 0 308.397 2.177 20 10 DECDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825090863 648701595 /nfs/dbraw/zinc/70/15/95/648701595.db2.gz LKPZGEGYRWTGHO-MRXNPFEDSA-N 1 0 308.397 2.177 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C3CCC3)CC2)cc1 ZINC000825241054 648730155 /nfs/dbraw/zinc/73/01/55/648730155.db2.gz UQVMOYRBARDCNO-GOSISDBHSA-N 1 0 304.434 2.415 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825530506 648776553 /nfs/dbraw/zinc/77/65/53/648776553.db2.gz NPZFOPXGHKRYNR-HNNXBMFYSA-N 1 0 313.781 2.166 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1Cl ZINC000825628745 648790557 /nfs/dbraw/zinc/79/05/57/648790557.db2.gz HSWIRXTWPBYPBQ-UHFFFAOYSA-N 1 0 310.781 2.428 20 10 DECDRO Cc1cc(O)c(CN2CC[N@H+](CCO)C(C)(C)C2)cc1Cl ZINC000825628976 648791062 /nfs/dbraw/zinc/79/10/62/648791062.db2.gz OMJXOHLADBACGJ-UHFFFAOYSA-N 1 0 312.841 2.243 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C)C2)c1 ZINC000182426782 648902839 /nfs/dbraw/zinc/90/28/39/648902839.db2.gz NRCYJYCOMKUTLS-QWHCGFSZSA-N 1 0 306.406 2.310 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826846557 648936186 /nfs/dbraw/zinc/93/61/86/648936186.db2.gz WAWHRIPQNKXVRZ-LBPRGKRZSA-N 1 0 306.797 2.468 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1Cl ZINC000826853690 648938106 /nfs/dbraw/zinc/93/81/06/648938106.db2.gz XVJGNWDJFSFKDU-GFCCVEGCSA-N 1 0 306.797 2.468 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1OC ZINC000827152395 648982844 /nfs/dbraw/zinc/98/28/44/648982844.db2.gz TUPXHJUONYHWIN-KRWDZBQOSA-N 1 0 307.390 2.146 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000827164754 648984582 /nfs/dbraw/zinc/98/45/82/648984582.db2.gz MMIMEBHTVSBTHD-DZGCQCFKSA-N 1 0 310.463 2.116 20 10 DECDRO COc1cc(O)c(C[NH2+]CC(O)(C2CC2)C2CC2)cc1OC ZINC000827359167 649022742 /nfs/dbraw/zinc/02/27/42/649022742.db2.gz KHCNVAIURGGHNG-UHFFFAOYSA-N 1 0 307.390 2.050 20 10 DECDRO CN(c1ccc(CNC(=O)COCC[NH3+])cc1)C1CCCCC1 ZINC000827820651 649090619 /nfs/dbraw/zinc/09/06/19/649090619.db2.gz AEOIAIXRMWWROC-UHFFFAOYSA-N 1 0 319.449 2.047 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)ccc1N1CCCCC1 ZINC000829159797 649279408 /nfs/dbraw/zinc/27/94/08/649279408.db2.gz XVCCCHCONIFAJS-IEBWSBKVSA-N 1 0 318.461 2.160 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC000185523357 649534768 /nfs/dbraw/zinc/53/47/68/649534768.db2.gz NWWIZUBGUODSMZ-ZIAGYGMSSA-N 1 0 309.406 2.495 20 10 DECDRO Nc1ccc(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000831506323 649603640 /nfs/dbraw/zinc/60/36/40/649603640.db2.gz RGAXYUJXHUQZPE-UHFFFAOYSA-N 1 0 324.428 2.239 20 10 DECDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000945226586 649631395 /nfs/dbraw/zinc/63/13/95/649631395.db2.gz WCNVCOQXEJUMED-SMDDNHRTSA-N 1 0 317.393 2.309 20 10 DECDRO COc1ccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000832178084 649682300 /nfs/dbraw/zinc/68/23/00/649682300.db2.gz NCYZYKJCTFSOTJ-OLZOCXBDSA-N 1 0 306.406 2.043 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC(F)(F)F)cc1 ZINC000832267626 649690570 /nfs/dbraw/zinc/69/05/70/649690570.db2.gz XYRLEPUGVLGBCY-GFCCVEGCSA-N 1 0 303.328 2.211 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2CCOCC2)cc1 ZINC000832266522 649690630 /nfs/dbraw/zinc/69/06/30/649690630.db2.gz GXGGGSQDHCLZJK-KRWDZBQOSA-N 1 0 319.449 2.075 20 10 DECDRO CCc1ncsc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267530 649690697 /nfs/dbraw/zinc/69/06/97/649690697.db2.gz UOLGWOCTVIDHPN-ZDUSSCGKSA-N 1 0 318.446 2.201 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(Cl)cn2)cc1 ZINC000832274522 649691430 /nfs/dbraw/zinc/69/14/30/649691430.db2.gz USXJKGWFDLZKQZ-AWEZNQCLSA-N 1 0 318.808 2.231 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCSCC2)cc1 ZINC000832272606 649691451 /nfs/dbraw/zinc/69/14/51/649691451.db2.gz HOYMOCCYLXPZPT-HNNXBMFYSA-N 1 0 307.463 2.012 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC3(CCC3)C2)cc1 ZINC000832285239 649692109 /nfs/dbraw/zinc/69/21/09/649692109.db2.gz PZAHBXVUMRRNGG-INIZCTEOSA-N 1 0 301.434 2.449 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2conc2C2CC2)cc1 ZINC000832283716 649692399 /nfs/dbraw/zinc/69/23/99/649692399.db2.gz AMOHLCUXYQQJMW-OAHLLOKOSA-N 1 0 314.389 2.048 20 10 DECDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000844172482 651086002 /nfs/dbraw/zinc/08/60/02/651086002.db2.gz AQHFFAPTTCYGLK-RHSMWYFYSA-N 1 0 301.434 2.291 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000844400319 651122722 /nfs/dbraw/zinc/12/27/22/651122722.db2.gz AMZRRCJSQAFPKP-INIZCTEOSA-N 1 0 318.417 2.159 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(N)s2)cc1 ZINC000844901637 651180662 /nfs/dbraw/zinc/18/06/62/651180662.db2.gz JJPYKRQOPBUPKB-UHFFFAOYSA-N 1 0 306.435 2.302 20 10 DECDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000846047177 651304251 /nfs/dbraw/zinc/30/42/51/651304251.db2.gz JKKKNBQANATWBZ-ZWKOTPCHSA-N 1 0 304.434 2.259 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846071085 651306423 /nfs/dbraw/zinc/30/64/23/651306423.db2.gz BSKUSKYLCCDCJR-NSHDSACASA-N 1 0 308.809 2.455 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846071011 651306458 /nfs/dbraw/zinc/30/64/58/651306458.db2.gz GDBBLYHZFJPJNZ-VXGBXAGGSA-N 1 0 304.390 2.062 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000846167633 651312466 /nfs/dbraw/zinc/31/24/66/651312466.db2.gz MGYNZKQHUDNAAZ-JSGCOSHPSA-N 1 0 306.406 2.310 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000846441988 651330990 /nfs/dbraw/zinc/33/09/90/651330990.db2.gz HVMKJKKOIDVDJF-KRWDZBQOSA-N 1 0 321.465 2.176 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2F)CC1 ZINC000106702505 651383429 /nfs/dbraw/zinc/38/34/29/651383429.db2.gz RSZVTBAZBVPBGC-ZFWWWQNUSA-N 1 0 319.424 2.240 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000847409529 651394510 /nfs/dbraw/zinc/39/45/10/651394510.db2.gz PNAAXTNMIZMFBS-WOVMCDHWSA-N 1 0 318.465 2.234 20 10 DECDRO COCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848512991 651463903 /nfs/dbraw/zinc/46/39/03/651463903.db2.gz CEGCKSBUDSVCLK-QMMMGPOBSA-N 1 0 304.184 2.460 20 10 DECDRO COc1ccc(O)c(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000848534436 651468135 /nfs/dbraw/zinc/46/81/35/651468135.db2.gz PSMYXUJIKJZITP-KRWDZBQOSA-N 1 0 320.433 2.134 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1C ZINC000848564388 651471649 /nfs/dbraw/zinc/47/16/49/651471649.db2.gz MNBPBCHDBYFMQX-QWHCGFSZSA-N 1 0 300.406 2.346 20 10 DECDRO CCc1cccc(C[NH+]2CCN(c3cnn(C)c3)CC2)c1O ZINC000848885855 651545708 /nfs/dbraw/zinc/54/57/08/651545708.db2.gz BACGQXLQLSHDSZ-UHFFFAOYSA-N 1 0 300.406 2.010 20 10 DECDRO CCc1cccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1O ZINC000848888574 651546643 /nfs/dbraw/zinc/54/66/43/651546643.db2.gz WZSIDWQEDZXBGV-UHFFFAOYSA-N 1 0 317.433 2.334 20 10 DECDRO CCc1cccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1O ZINC000848906290 651555143 /nfs/dbraw/zinc/55/51/43/651555143.db2.gz UWYXIYNQSCRZSD-CQSZACIVSA-N 1 0 306.450 2.232 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000848914276 651559055 /nfs/dbraw/zinc/55/90/55/651559055.db2.gz KLPPWOGFQZSOPV-CYBMUJFWSA-N 1 0 304.390 2.229 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000848918914 651560769 /nfs/dbraw/zinc/56/07/69/651560769.db2.gz OIIUYCYEKGHRFB-INIZCTEOSA-N 1 0 318.417 2.137 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc3NC2=O)c1 ZINC000848922089 651562552 /nfs/dbraw/zinc/56/25/52/651562552.db2.gz LXQBSYZHAOYYCW-INIZCTEOSA-N 1 0 312.369 2.444 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 ZINC000848920926 651562569 /nfs/dbraw/zinc/56/25/69/651562569.db2.gz MXNACTBSNANOMP-MRXNPFEDSA-N 1 0 318.417 2.137 20 10 DECDRO C[C@@H](O)C[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000848928565 651564457 /nfs/dbraw/zinc/56/44/57/651564457.db2.gz HOHQSYHHUQBHLV-SECBINFHSA-N 1 0 300.196 2.500 20 10 DECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000850072985 651819970 /nfs/dbraw/zinc/81/99/70/651819970.db2.gz SOHFTDROQSHHEW-HOCLYGCPSA-N 1 0 322.424 2.444 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850317140 651896664 /nfs/dbraw/zinc/89/66/64/651896664.db2.gz RRYJQFHRDGPRJN-NSHDSACASA-N 1 0 308.422 2.313 20 10 DECDRO FC1(F)C[C@H]1OCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850365879 651912736 /nfs/dbraw/zinc/91/27/36/651912736.db2.gz SCMCDMUKAQKAEG-OAHLLOKOSA-N 1 0 312.360 2.037 20 10 DECDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850391105 651918538 /nfs/dbraw/zinc/91/85/38/651918538.db2.gz FMPWYNWBGQGTCW-UHFFFAOYSA-N 1 0 315.373 2.412 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000850397608 651920414 /nfs/dbraw/zinc/92/04/14/651920414.db2.gz YXKJTOSKOMWBCP-HNNXBMFYSA-N 1 0 303.450 2.489 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1 ZINC000850400785 651921237 /nfs/dbraw/zinc/92/12/37/651921237.db2.gz NYIHWEQLYUCENI-GOSISDBHSA-N 1 0 306.450 2.410 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2)cc1 ZINC000850489154 651938785 /nfs/dbraw/zinc/93/87/85/651938785.db2.gz RHZOPUATOTYWAP-YZVOILCLSA-N 1 0 315.461 2.346 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000850559102 651953004 /nfs/dbraw/zinc/95/30/04/651953004.db2.gz XIJPMMUULKBMDQ-LLVKDONJSA-N 1 0 313.419 2.019 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000850567391 651954014 /nfs/dbraw/zinc/95/40/14/651954014.db2.gz BIGBRSCJDVIBFG-KDOFPFPSSA-N 1 0 304.434 2.305 20 10 DECDRO CCC[N@H+](CC(=O)Nc1cnccn1)Cc1ccccc1O ZINC000851792659 652240234 /nfs/dbraw/zinc/24/02/34/652240234.db2.gz QHCKERXITQLMFA-UHFFFAOYSA-N 1 0 300.362 2.033 20 10 DECDRO Cc1cnc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858175185 652271575 /nfs/dbraw/zinc/27/15/75/652271575.db2.gz HXMCHJMSZMFELY-UHFFFAOYSA-N 1 0 306.360 2.462 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000858211844 652280289 /nfs/dbraw/zinc/28/02/89/652280289.db2.gz RSMGBAFEHPOCLS-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO COc1cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000858226321 652283933 /nfs/dbraw/zinc/28/39/33/652283933.db2.gz MKUKTDBHBIUEFI-HZPDHXFCSA-N 1 0 323.433 2.328 20 10 DECDRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858276658 652294629 /nfs/dbraw/zinc/29/46/29/652294629.db2.gz UGEPVNUGTHIEEM-SFHVURJKSA-N 1 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/nfs/dbraw/zinc/52/95/06/652529506.db2.gz GBGFOUQHYYTJFO-ZDUSSCGKSA-N 1 0 306.410 2.283 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@H]2N1 ZINC000853555172 652567618 /nfs/dbraw/zinc/56/76/18/652567618.db2.gz HCIBYQFCSZVCFF-XJKSGUPXSA-N 1 0 311.385 2.041 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000111420745 652570847 /nfs/dbraw/zinc/57/08/47/652570847.db2.gz MXJVMBGIFKFUIL-KRWDZBQOSA-N 1 0 318.465 2.426 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1 ZINC000853595572 652575710 /nfs/dbraw/zinc/57/57/10/652575710.db2.gz QCYUCRHKIHVPEX-OAHLLOKOSA-N 1 0 302.418 2.453 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000383560555 685407510 /nfs/dbraw/zinc/40/75/10/685407510.db2.gz IDWWSXSWXZHXPP-CYBMUJFWSA-N 1 0 300.196 2.405 20 10 DECDRO CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822729 685602374 /nfs/dbraw/zinc/60/23/74/685602374.db2.gz OXKLUYHRPJVIIL-WDEREUQCSA-N 1 0 309.366 2.189 20 10 DECDRO Cc1cc(C(=O)NCC[NH+]2CCCC2)c(C)n1-c1ccccn1 ZINC000078872068 683967507 /nfs/dbraw/zinc/96/75/07/683967507.db2.gz YJSJFQJARJFDJS-UHFFFAOYSA-N 1 0 312.417 2.315 20 10 DECDRO CC(C)OCC[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129371906 684178821 /nfs/dbraw/zinc/17/88/21/684178821.db2.gz XEPDMKFIPWGFTK-UHFFFAOYSA-N 1 0 323.456 2.434 20 10 DECDRO CCn1cnnc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000158414307 684298463 /nfs/dbraw/zinc/29/84/63/684298463.db2.gz IBTKMGRSBYTWCC-UHFFFAOYSA-N 1 0 315.421 2.065 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)cc1C ZINC000160114758 684326982 /nfs/dbraw/zinc/32/69/82/684326982.db2.gz RJQXGGUSZJLDJH-ZDUSSCGKSA-N 1 0 306.406 2.187 20 10 DECDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H](O)C(F)(F)F ZINC000189864392 684391036 /nfs/dbraw/zinc/39/10/36/684391036.db2.gz VOOWNWYPXJLMGY-CYBMUJFWSA-N 1 0 323.311 2.155 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000189986552 684393805 /nfs/dbraw/zinc/39/38/05/684393805.db2.gz BEBYIMKMTIDPGP-GOSISDBHSA-N 1 0 318.417 2.051 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC000273739663 685208242 /nfs/dbraw/zinc/20/82/42/685208242.db2.gz LQQPOBABTOXWHQ-UHFFFAOYSA-N 1 0 324.808 2.156 20 10 DECDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028001 686225423 /nfs/dbraw/zinc/22/54/23/686225423.db2.gz MTAQKGPMFIXTND-BETUJISGSA-N 1 0 313.401 2.429 20 10 DECDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC000862254294 686267345 /nfs/dbraw/zinc/26/73/45/686267345.db2.gz XSHJEAKDURXVLW-TVQRCGJNSA-N 1 0 300.196 2.357 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H]1OC ZINC000862325606 686276675 /nfs/dbraw/zinc/27/66/75/686276675.db2.gz CNWREWIKKSNWCW-IMJJTQAJSA-N 1 0 314.376 2.313 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC000862337957 686278355 /nfs/dbraw/zinc/27/83/55/686278355.db2.gz DQBHZXWLQCPPJF-ZYHUDNBSSA-N 1 0 312.360 2.414 20 10 DECDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000862352236 686280951 /nfs/dbraw/zinc/28/09/51/686280951.db2.gz ZIPTYFBHHYDACT-LBPRGKRZSA-N 1 0 300.196 2.357 20 10 DECDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862373335 686285064 /nfs/dbraw/zinc/28/50/64/686285064.db2.gz UWSYIZOWWDTHFF-GFCCVEGCSA-N 1 0 300.196 2.500 20 10 DECDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862391855 686291289 /nfs/dbraw/zinc/29/12/89/686291289.db2.gz VODHSTBEZWEUSN-ZJUUUORDSA-N 1 0 300.196 2.357 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC000862469068 686306924 /nfs/dbraw/zinc/30/69/24/686306924.db2.gz XUFWKYHDIHVFTB-GFCCVEGCSA-N 1 0 300.349 2.220 20 10 DECDRO CCC1(N2CCOCC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000862534808 686316556 /nfs/dbraw/zinc/31/65/56/686316556.db2.gz HRMIZMXVFIIEOO-UHFFFAOYSA-N 1 0 304.434 2.469 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC13CCOCC3)OCO2 ZINC000865779086 687331424 /nfs/dbraw/zinc/33/14/24/687331424.db2.gz RMUJJWGCRPHALZ-CYBMUJFWSA-N 1 0 305.374 2.417 20 10 DECDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000865805675 687341050 /nfs/dbraw/zinc/34/10/50/687341050.db2.gz ACFNUYYCUBTPPY-HNNXBMFYSA-N 1 0 312.369 2.397 20 10 DECDRO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccccc1O ZINC000866434976 687572095 /nfs/dbraw/zinc/57/20/95/687572095.db2.gz TUZYFKMCNWPZAJ-CABZTGNLSA-N 1 0 300.284 2.438 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001018393079 688122162 /nfs/dbraw/zinc/12/21/62/688122162.db2.gz RMUAACJOEXJDHF-INIZCTEOSA-N 1 0 302.418 2.494 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1O ZINC000868805845 688145660 /nfs/dbraw/zinc/14/56/60/688145660.db2.gz PCFRLXAYHVCPBK-UONOGXRCSA-N 1 0 305.422 2.484 20 10 DECDRO O=C(CC[NH2+]CC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000870865600 688671537 /nfs/dbraw/zinc/67/15/37/688671537.db2.gz DYTYBVHJDAYEBY-UHFFFAOYSA-N 1 0 301.434 2.293 20 10 DECDRO COc1cc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)c(O)cc1C ZINC000872676863 689063525 /nfs/dbraw/zinc/06/35/25/689063525.db2.gz YLQMKWXPCQAONM-AWEZNQCLSA-N 1 0 306.406 2.152 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873013241 689140673 /nfs/dbraw/zinc/14/06/73/689140673.db2.gz XTKGENVBRDNIBT-HNNXBMFYSA-N 1 0 301.390 2.066 20 10 DECDRO COC[C@H](C)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873024650 689143562 /nfs/dbraw/zinc/14/35/62/689143562.db2.gz YAZCXHSTVAOYGX-CQSZACIVSA-N 1 0 303.406 2.312 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1Cn1cccn1 ZINC000873112994 689160298 /nfs/dbraw/zinc/16/02/98/689160298.db2.gz MGNZUBXDSOOTCR-RDJZCZTQSA-N 1 0 315.417 2.191 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1C ZINC000873135754 689167153 /nfs/dbraw/zinc/16/71/53/689167153.db2.gz NAEYMTSDRFIIFM-GOSISDBHSA-N 1 0 323.433 2.041 20 10 DECDRO Oc1ccccc1CN(C[C@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000873209790 689184704 /nfs/dbraw/zinc/18/47/04/689184704.db2.gz RPHGXTOZCQPINB-BFHRDPOASA-N 1 0 302.418 2.125 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873271749 689199515 /nfs/dbraw/zinc/19/95/15/689199515.db2.gz KKCBLBPZSRUWEQ-RYUDHWBXSA-N 1 0 306.406 2.218 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000873829532 689315425 /nfs/dbraw/zinc/31/54/25/689315425.db2.gz RZOAGQZKJWLJGB-KRWDZBQOSA-N 1 0 301.434 2.386 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000874230973 689371743 /nfs/dbraw/zinc/37/17/43/689371743.db2.gz HOTBOQBLHWRYPU-INIZCTEOSA-N 1 0 303.450 2.443 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H](c2ccco2)N(C)C)c1 ZINC000874996135 689555562 /nfs/dbraw/zinc/55/55/62/689555562.db2.gz YAAXNQLZAILEMH-CQSZACIVSA-N 1 0 317.389 2.396 20 10 DECDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000876507159 689841852 /nfs/dbraw/zinc/84/18/52/689841852.db2.gz WWNIOBAMXGHQFP-GXFFZTMASA-N 1 0 317.355 2.457 20 10 DECDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000876561860 689857362 /nfs/dbraw/zinc/85/73/62/689857362.db2.gz UXROWLHUTVYQIB-SFHVURJKSA-N 1 0 304.434 2.259 20 10 DECDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876616997 689877831 /nfs/dbraw/zinc/87/78/31/689877831.db2.gz CWIHLPFMYGPRJW-INIZCTEOSA-N 1 0 304.434 2.259 20 10 DECDRO COc1cccc([C@@H]([NH3+])C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000876714061 689912342 /nfs/dbraw/zinc/91/23/42/689912342.db2.gz WCPWGZDFKRMJMU-QGZVFWFLSA-N 1 0 313.401 2.077 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)CCC2C[NH2+]C2)cc1 ZINC000876713606 689912637 /nfs/dbraw/zinc/91/26/37/689912637.db2.gz LIHSGWMXJLRLRV-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876728119 689917815 /nfs/dbraw/zinc/91/78/15/689917815.db2.gz GFPZBCOCKZIESU-GOEBONIOSA-N 1 0 307.413 2.097 20 10 DECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000876728524 689918425 /nfs/dbraw/zinc/91/84/25/689918425.db2.gz OPIHKBAAMUWNTB-OJXHRBAXSA-N 1 0 313.445 2.459 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876767262 689931003 /nfs/dbraw/zinc/93/10/03/689931003.db2.gz FJBUHKNJOJAKAT-RZIFZGNASA-N 1 0 301.434 2.233 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876767263 689931161 /nfs/dbraw/zinc/93/11/61/689931161.db2.gz FJBUHKNJOJAKAT-WUKHSURWSA-N 1 0 301.434 2.233 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCOC1 ZINC000876788965 689937523 /nfs/dbraw/zinc/93/75/23/689937523.db2.gz OQOVXJXEVMJWJT-MRXNPFEDSA-N 1 0 304.434 2.116 20 10 DECDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876949636 689980852 /nfs/dbraw/zinc/98/08/52/689980852.db2.gz TZAHQGWXDUGEKF-LJQANCHMSA-N 1 0 317.477 2.078 20 10 DECDRO COc1ccc(CNC(=O)C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876985485 689990419 /nfs/dbraw/zinc/99/04/19/689990419.db2.gz GQWFOSIYNRECDW-UHFFFAOYSA-N 1 0 314.385 2.115 20 10 DECDRO COC(=O)c1cc(C[NH2+]CCCSc2nccs2)on1 ZINC000877061914 690011084 /nfs/dbraw/zinc/01/10/84/690011084.db2.gz UZVGUHSBGKHZBG-UHFFFAOYSA-N 1 0 313.404 2.190 20 10 DECDRO CC[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877472779 690124004 /nfs/dbraw/zinc/12/40/04/690124004.db2.gz BKHLEJZGBXEJME-GOSISDBHSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000877571015 690155201 /nfs/dbraw/zinc/15/52/01/690155201.db2.gz QHRDTSDQMWBQFA-DYVFJYSZSA-N 1 0 301.390 2.444 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877592544 690161437 /nfs/dbraw/zinc/16/14/37/690161437.db2.gz QFGLYZRJESFDKG-GDBMZVCRSA-N 1 0 303.450 2.250 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000877646835 690178556 /nfs/dbraw/zinc/17/85/56/690178556.db2.gz LTQYNEHJMRMBIB-GOSISDBHSA-N 1 0 315.417 2.380 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCCO3)CC2)c(OC)c1 ZINC000877708719 690199395 /nfs/dbraw/zinc/19/93/95/690199395.db2.gz UTLATAMABKFRFH-MRXNPFEDSA-N 1 0 320.433 2.395 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1 ZINC000877773987 690222367 /nfs/dbraw/zinc/22/23/67/690222367.db2.gz CJHQGGBSJDGBIN-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc[nH]c(=O)c2)cc1 ZINC000878805556 690503633 /nfs/dbraw/zinc/50/36/33/690503633.db2.gz PTQMQPCLMGPDLQ-UHFFFAOYSA-N 1 0 301.390 2.364 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccccc1O ZINC000879648504 690699254 /nfs/dbraw/zinc/69/92/54/690699254.db2.gz RJSXGOQLYIHWBY-MNOVXSKESA-N 1 0 307.394 2.056 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(c3nnnn3C)CC2)cc1 ZINC000879915931 690753966 /nfs/dbraw/zinc/75/39/66/690753966.db2.gz DTDKNNFFKFCLIE-UHFFFAOYSA-N 1 0 314.437 2.046 20 10 DECDRO Cc1cc(CN2CC[NH+](CCCCCO)CC2)ccc1N(C)C ZINC000931496149 694412957 /nfs/dbraw/zinc/41/29/57/694412957.db2.gz RXPGNWMEOQSTTH-UHFFFAOYSA-N 1 0 319.493 2.341 20 10 DECDRO Cc1cc(C(=O)Cn2cc(CC[NH3+])nn2)c(C)n1-c1ccccc1 ZINC000880981978 691007507 /nfs/dbraw/zinc/00/75/07/691007507.db2.gz HNKNPSNJZDDITP-UHFFFAOYSA-N 1 0 323.400 2.070 20 10 DECDRO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCN1c1cc[nH+]cc1 ZINC000881634717 691136222 /nfs/dbraw/zinc/13/62/22/691136222.db2.gz HTQWQQBPOQJSTQ-LLVKDONJSA-N 1 0 303.387 2.200 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(Cl)c1 ZINC000883296431 691474777 /nfs/dbraw/zinc/47/47/77/691474777.db2.gz MRDDAROTAIRNDB-NSHDSACASA-N 1 0 317.838 2.411 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1 ZINC000886224294 692028975 /nfs/dbraw/zinc/02/89/75/692028975.db2.gz YMOQYOTYWFSTQZ-ODMBXXLQSA-N 1 0 304.434 2.285 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886251478 692035928 /nfs/dbraw/zinc/03/59/28/692035928.db2.gz DINKKYCYYIWSFT-CRAIPNDOSA-N 1 0 319.401 2.184 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCCO3)cc2)CC1 ZINC000886313994 692053299 /nfs/dbraw/zinc/05/32/99/692053299.db2.gz JFHJZINBKPAOEX-GOSISDBHSA-N 1 0 303.450 2.097 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000886324760 692056800 /nfs/dbraw/zinc/05/68/00/692056800.db2.gz FWCMMMODZZYPSY-ZDUSSCGKSA-N 1 0 301.434 2.276 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1O ZINC000886334111 692059652 /nfs/dbraw/zinc/05/96/52/692059652.db2.gz RAYDQUKNFILJTC-IFIJOSMWSA-N 1 0 307.390 2.217 20 10 DECDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1c([O-])cccc1F ZINC000886526351 692101984 /nfs/dbraw/zinc/10/19/84/692101984.db2.gz KWJBEPPWICBFST-KBPBESRZSA-N 1 0 310.413 2.419 20 10 DECDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000895328476 692995649 /nfs/dbraw/zinc/99/56/49/692995649.db2.gz GKPFGPYTHOJNIX-IEBWSBKVSA-N 1 0 313.397 2.377 20 10 DECDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924648414 693164795 /nfs/dbraw/zinc/16/47/95/693164795.db2.gz MYYCSJWUAHCJIW-GOEBONIOSA-N 1 0 301.434 2.434 20 10 DECDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924755848 693181292 /nfs/dbraw/zinc/18/12/92/693181292.db2.gz XNPWVKGLQUIQCL-GJZGRUSLSA-N 1 0 304.434 2.284 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926596583 693477318 /nfs/dbraw/zinc/47/73/18/693477318.db2.gz QCCLKAFBVGMGIO-KBPBESRZSA-N 1 0 301.438 2.471 20 10 DECDRO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000927136705 693559760 /nfs/dbraw/zinc/55/97/60/693559760.db2.gz RVSVVVBEWSMSDG-XIKOKIGWSA-N 1 0 315.417 2.389 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)[NH2+]C)cc1F ZINC001345142430 1150867331 /nfs/dbraw/zinc/86/73/31/1150867331.db2.gz QNEFEOHVXPSYOB-CYBMUJFWSA-N 1 0 324.444 2.469 20 10 DECDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001347791776 1151097467 /nfs/dbraw/zinc/09/74/67/1151097467.db2.gz KHENLPGWQYBHFL-SFHVURJKSA-N 1 0 317.477 2.223 20 10 DECDRO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCc2cc(Cl)ccc21 ZINC001355389908 1152008051 /nfs/dbraw/zinc/00/80/51/1152008051.db2.gz JUAVYHUJIKPRDZ-NSHDSACASA-N 1 0 316.792 2.343 20 10 DECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@H](F)C2)cc1Br ZINC001210611639 776930411 /nfs/dbraw/zinc/93/04/11/776930411.db2.gz SIGPEHOYJBDVIV-LLVKDONJSA-N 1 0 317.202 2.206 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC000093691797 780627951 /nfs/dbraw/zinc/62/79/51/780627951.db2.gz FPTRLYSMFIXJDN-MRXNPFEDSA-N 1 0 300.358 2.449 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCOCC2CC2)cc1C ZINC001127073573 781716360 /nfs/dbraw/zinc/71/63/60/781716360.db2.gz ZIOGAFYJAJBMET-UHFFFAOYSA-N 1 0 320.433 2.026 20 10 DECDRO Oc1cc(O)c(CN2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC001144500637 790933598 /nfs/dbraw/zinc/93/35/98/790933598.db2.gz XFAPMRYKYONYEX-UHFFFAOYSA-N 1 0 306.406 2.254 20 10 DECDRO COc1cccc2c1C[N@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144499123 790934205 /nfs/dbraw/zinc/93/42/05/790934205.db2.gz AMUKUXXVYJNYGH-UHFFFAOYSA-N 1 0 301.342 2.370 20 10 DECDRO CN1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1c1ccccc1 ZINC001144508928 790940302 /nfs/dbraw/zinc/94/03/02/790940302.db2.gz DOKGYKFPMNZZOP-INIZCTEOSA-N 1 0 314.385 2.292 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001144509283 790941098 /nfs/dbraw/zinc/94/10/98/790941098.db2.gz RUGROHFKEBCQIH-CYBMUJFWSA-N 1 0 306.406 2.254 20 10 DECDRO COc1cccc(CC[N@H+](C)Cc2c(O)cc(O)cc2O)c1 ZINC001144514654 790942477 /nfs/dbraw/zinc/94/24/77/790942477.db2.gz NMINFPKSRCXEEB-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)SC)cc1C ZINC001154924633 783767546 /nfs/dbraw/zinc/76/75/46/783767546.db2.gz ULSMIAGCXXSMNM-ZDUSSCGKSA-N 1 0 310.463 2.351 20 10 DECDRO [NH3+]Cc1ccc2c(n1)N(c1cc(-c3cccnc3)ncn1)CCC2 ZINC001169590487 785250979 /nfs/dbraw/zinc/25/09/79/785250979.db2.gz OJMPHYRFLXTJLP-UHFFFAOYSA-N 1 0 318.384 2.477 20 10 DECDRO Oc1cccc(Cl)c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333735399 1150085310 /nfs/dbraw/zinc/08/53/10/1150085310.db2.gz YTYJVHYSZPSJDK-GFCCVEGCSA-N 1 0 311.809 2.409 20 10 DECDRO CCC[NH2+]C1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001091381819 791130471 /nfs/dbraw/zinc/13/04/71/791130471.db2.gz FDLQNFTZHXSMGP-UHFFFAOYSA-N 1 0 317.393 2.357 20 10 DECDRO O=[N+]([O-])c1cc2c(cc1NCc1ccc(O)c(O)c1)C[NH2+]C2 ZINC001169995156 785835427 /nfs/dbraw/zinc/83/54/27/785835427.db2.gz QSZLUIARRJREOI-UHFFFAOYSA-N 1 0 301.302 2.221 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H](OC)C2)cc1C ZINC001130550656 787427832 /nfs/dbraw/zinc/42/78/32/787427832.db2.gz MIPCAIPDXDISAV-HZPDHXFCSA-N 1 0 320.433 2.025 20 10 DECDRO CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663958 791328214 /nfs/dbraw/zinc/32/82/14/791328214.db2.gz PFLHSZNLPUSFHH-GHMZBOCLSA-N 1 0 305.382 2.355 20 10 DECDRO C[NH+]1CCC2(CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC001148218654 791712907 /nfs/dbraw/zinc/71/29/07/791712907.db2.gz JVADTFQDOPXGJQ-UHFFFAOYSA-N 1 0 304.390 2.046 20 10 DECDRO C[NH+]1C(C)(C)CC(NC(=O)c2cccc(O)c2O)CC1(C)C ZINC001148224400 791715074 /nfs/dbraw/zinc/71/50/74/791715074.db2.gz JZERNSCEXZNOQE-UHFFFAOYSA-N 1 0 306.406 2.479 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206132305 791838156 /nfs/dbraw/zinc/83/81/56/791838156.db2.gz OATUMSCHFJIKAP-CYBMUJFWSA-N 1 0 313.392 2.407 20 10 DECDRO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001172020767 793293112 /nfs/dbraw/zinc/29/31/12/793293112.db2.gz DYEXMKFKODVHKM-INIZCTEOSA-N 1 0 301.434 2.387 20 10 DECDRO COc1cc(Cl)cc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206196343 793647369 /nfs/dbraw/zinc/64/73/69/793647369.db2.gz BJWOKZRFHXCDRY-NEPJUHHUSA-N 1 0 302.777 2.315 20 10 DECDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001175362230 794190727 /nfs/dbraw/zinc/19/07/27/794190727.db2.gz SJFLQWPOCSASTI-MRXNPFEDSA-N 1 0 318.465 2.345 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCC2CC2)cc1 ZINC001177237603 794616415 /nfs/dbraw/zinc/61/64/15/794616415.db2.gz FNHAUDWQVLDBIX-UHFFFAOYSA-N 1 0 317.393 2.359 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCOC1 ZINC001116910506 794999223 /nfs/dbraw/zinc/99/92/23/794999223.db2.gz CYSSNCUEOHNNTF-ZBFHGGJFSA-N 1 0 321.440 2.092 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001120681267 795512115 /nfs/dbraw/zinc/51/21/15/795512115.db2.gz HQCYJAJIVCQPCE-UHFFFAOYSA-N 1 0 316.449 2.429 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC001182030939 795588967 /nfs/dbraw/zinc/58/89/67/795588967.db2.gz FDJDNWCUGDDXJN-CYBMUJFWSA-N 1 0 311.447 2.382 20 10 DECDRO C[NH+](C)C1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC1 ZINC001182603204 795718274 /nfs/dbraw/zinc/71/82/74/795718274.db2.gz VIYGOUVMFBEHOA-UHFFFAOYSA-N 1 0 319.792 2.304 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001122059576 795721869 /nfs/dbraw/zinc/72/18/69/795721869.db2.gz PBQGQRJESBXPJI-CZUORRHYSA-N 1 0 319.449 2.154 20 10 DECDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC001184410860 796060801 /nfs/dbraw/zinc/06/08/01/796060801.db2.gz MYXOJYQCIJSBOR-GOSISDBHSA-N 1 0 315.369 2.215 20 10 DECDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC001203595828 796113071 /nfs/dbraw/zinc/11/30/71/796113071.db2.gz PXKSLDNTRHBIJW-CQSZACIVSA-N 1 0 306.406 2.282 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc2c3c1CCCN3CCC2 ZINC001138339736 796199913 /nfs/dbraw/zinc/19/99/13/796199913.db2.gz IMIGBBHDUOZMSW-IAGOWNOFSA-N 1 0 314.429 2.454 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001138495226 796227422 /nfs/dbraw/zinc/22/74/22/796227422.db2.gz GAQVUFBQXDRYKD-UHFFFAOYSA-N 1 0 302.418 2.136 20 10 DECDRO CCOc1cccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1O ZINC001203614354 796233132 /nfs/dbraw/zinc/23/31/32/796233132.db2.gz YPDZILOOFXWMNP-UHFFFAOYSA-N 1 0 314.385 2.492 20 10 DECDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1O ZINC001203615353 796240853 /nfs/dbraw/zinc/24/08/53/796240853.db2.gz SLQQKOOHOGFOGT-OAHLLOKOSA-N 1 0 306.406 2.234 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001139132729 796330484 /nfs/dbraw/zinc/33/04/84/796330484.db2.gz ZMJDEPSNEKBZKU-VXGBXAGGSA-N 1 0 303.358 2.152 20 10 DECDRO COc1cc(CN2CCC[C@H]2C(C)=O)cc(C[NH+](C)C)c1O ZINC001139260718 796351435 /nfs/dbraw/zinc/35/14/35/796351435.db2.gz WOZJHIKCAPRVBQ-HNNXBMFYSA-N 1 0 306.406 2.016 20 10 DECDRO CC[NH+](CC)CCCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140054949 796470953 /nfs/dbraw/zinc/47/09/53/796470953.db2.gz AVZOKYMZCWCLJK-UHFFFAOYSA-N 1 0 323.456 2.381 20 10 DECDRO CCN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001140054633 796471213 /nfs/dbraw/zinc/47/12/13/796471213.db2.gz UQSUCPDRDWPQSH-KRWDZBQOSA-N 1 0 306.381 2.366 20 10 DECDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140053955 796471546 /nfs/dbraw/zinc/47/15/46/796471546.db2.gz GEUDGMASDSVMPG-UHFFFAOYSA-N 1 0 307.369 2.161 20 10 DECDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184231 796487446 /nfs/dbraw/zinc/48/74/46/796487446.db2.gz NZJZNOZZEDLZPP-OAHLLOKOSA-N 1 0 320.433 2.126 20 10 DECDRO Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001140184862 796487458 /nfs/dbraw/zinc/48/74/58/796487458.db2.gz IQEZSFKQMHXYSY-HOCLYGCPSA-N 1 0 302.418 2.452 20 10 DECDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140283428 796501855 /nfs/dbraw/zinc/50/18/55/796501855.db2.gz UMOTUAXGHDWOLQ-NVXWUHKLSA-N 1 0 318.461 2.241 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCCC1=O ZINC001140283635 796502023 /nfs/dbraw/zinc/50/20/23/796502023.db2.gz ZCEFJPMJLUPQQO-OAHLLOKOSA-N 1 0 316.445 2.449 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CC4(C3)CCCO4)cc2)CC1 ZINC001140302648 796503260 /nfs/dbraw/zinc/50/32/60/796503260.db2.gz WVQIEECJINQWHI-UHFFFAOYSA-N 1 0 315.461 2.193 20 10 DECDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140339063 796509255 /nfs/dbraw/zinc/50/92/55/796509255.db2.gz DVYOYQVZAGJDPO-BLLLJJGKSA-N 1 0 310.825 2.198 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(Oc3ncccn3)CC2)c1O ZINC001140745745 796566878 /nfs/dbraw/zinc/56/68/78/796566878.db2.gz NBDNJRKJHGGHSY-UHFFFAOYSA-N 1 0 315.373 2.240 20 10 DECDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)nc1 ZINC001140749641 796567272 /nfs/dbraw/zinc/56/72/72/796567272.db2.gz HNLXGDUIZFZHSB-AWEZNQCLSA-N 1 0 315.373 2.158 20 10 DECDRO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140749486 796567571 /nfs/dbraw/zinc/56/75/71/796567571.db2.gz BSOKVYWTDVTXCD-UHFFFAOYSA-N 1 0 318.417 2.241 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1O ZINC001140747837 796567747 /nfs/dbraw/zinc/56/77/47/796567747.db2.gz MWBOHOBKCIJCKZ-HNNXBMFYSA-N 1 0 300.358 2.455 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](F)(C(=O)OC)C2)c(O)c1 ZINC001140850958 796582653 /nfs/dbraw/zinc/58/26/53/796582653.db2.gz XARQUSOWOXDGQZ-KRWDZBQOSA-N 1 0 324.396 2.325 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(OC)c1 ZINC001141026254 796620720 /nfs/dbraw/zinc/62/07/20/796620720.db2.gz JGJDDEOYCWDUBM-YVEFUNNKSA-N 1 0 307.390 2.410 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031749 796621185 /nfs/dbraw/zinc/62/11/85/796621185.db2.gz JFCMGNHNORHCSG-VXGBXAGGSA-N 1 0 323.389 2.183 20 10 DECDRO CN1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1=O ZINC001141075956 796632516 /nfs/dbraw/zinc/63/25/16/796632516.db2.gz HSTFTQXWNIOQSB-UHFFFAOYSA-N 1 0 313.445 2.050 20 10 DECDRO CN1CCOc2cc(CN3CC[C@H]([NH+]4CCCC4)C3)ccc21 ZINC001141142834 796638954 /nfs/dbraw/zinc/63/89/54/796638954.db2.gz CAABPPIJIKURHA-INIZCTEOSA-N 1 0 301.434 2.185 20 10 DECDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141163127 796643874 /nfs/dbraw/zinc/64/38/74/796643874.db2.gz QGFCXHQQRQRHCZ-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccncc2)cc1C ZINC001154149695 797473790 /nfs/dbraw/zinc/47/37/90/797473790.db2.gz SZNOCVAFHSCIAU-UHFFFAOYSA-N 1 0 313.401 2.308 20 10 DECDRO CCC[C@@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001163846524 799445299 /nfs/dbraw/zinc/44/52/99/799445299.db2.gz UVLAUHOAJYCXBI-QGZVFWFLSA-N 1 0 322.449 2.415 20 10 DECDRO COC(=O)c1cc(N(CCC[NH3+])C(C)C)c(N(C)C)cc1OC ZINC001164122829 799516104 /nfs/dbraw/zinc/51/61/04/799516104.db2.gz QPOGRTSVRSOGNQ-UHFFFAOYSA-N 1 0 323.437 2.111 20 10 DECDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2cnn(C)c21 ZINC001203552530 800079403 /nfs/dbraw/zinc/07/94/03/800079403.db2.gz NHTBQKSTOBYFHK-HNNXBMFYSA-N 1 0 301.390 2.262 20 10 DECDRO CCN1C(=O)CCC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203589761 800085546 /nfs/dbraw/zinc/08/55/46/800085546.db2.gz NQSMWLRHNMLTCC-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c1O ZINC001203615314 800090446 /nfs/dbraw/zinc/09/04/46/800090446.db2.gz QFRNMVBGXLIWHB-UHFFFAOYSA-N 1 0 300.358 2.450 20 10 DECDRO CCN1C(=O)CCC12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203671257 800103038 /nfs/dbraw/zinc/10/30/38/800103038.db2.gz LTTBFAGCDMHUTN-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001204276297 800198881 /nfs/dbraw/zinc/19/88/81/800198881.db2.gz JTESVTIPKNDOJO-CHWSQXEVSA-N 1 0 323.286 2.325 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204277868 800199645 /nfs/dbraw/zinc/19/96/45/800199645.db2.gz MYTZZQXKADTXST-OCCSQVGLSA-N 1 0 320.389 2.149 20 10 DECDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204278206 800200440 /nfs/dbraw/zinc/20/04/40/800200440.db2.gz YDMNUNBWQYPKOW-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO c1cnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001204319708 800204461 /nfs/dbraw/zinc/20/44/61/800204461.db2.gz FTFSNCDBOBIPLN-UHFFFAOYSA-N 1 0 323.444 2.399 20 10 DECDRO COc1cc(C)c(C[NH2+]CCc2cccc(C(N)=O)c2)c(O)c1 ZINC001205411322 800354510 /nfs/dbraw/zinc/35/45/10/800354510.db2.gz AKDHYVFRPJUVEZ-UHFFFAOYSA-N 1 0 314.385 2.140 20 10 DECDRO [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001205725445 800408673 /nfs/dbraw/zinc/40/86/73/800408673.db2.gz HOWKMCXNLXLVRU-AWEZNQCLSA-N 1 0 318.339 2.087 20 10 DECDRO COc1cc(O)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205789335 800421299 /nfs/dbraw/zinc/42/12/99/800421299.db2.gz YFNJVDKLTMVOJO-VIFPVBQESA-N 1 0 320.767 2.470 20 10 DECDRO CCOCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207203120 800708842 /nfs/dbraw/zinc/70/88/42/800708842.db2.gz UCCSPBFWFYCKAE-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1 ZINC001207691218 800807497 /nfs/dbraw/zinc/80/74/97/800807497.db2.gz BUKZROLABOICLE-XGHVKYEFSA-N 1 0 307.390 2.481 20 10 DECDRO CC1(C)OCC(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CO1 ZINC001209199084 801149043 /nfs/dbraw/zinc/14/90/43/801149043.db2.gz NIEPEFPJMLIBGJ-UHFFFAOYSA-N 1 0 307.390 2.245 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001209516649 801205651 /nfs/dbraw/zinc/20/56/51/801205651.db2.gz KXKDMYQMWCAVQN-IEBWSBKVSA-N 1 0 314.429 2.269 20 10 DECDRO Oc1cccc(Br)c1CN1CCNCC(F)(F)C1 ZINC001211341395 801549477 /nfs/dbraw/zinc/54/94/77/801549477.db2.gz KCXFWKMRLYIYDU-UHFFFAOYSA-N 1 0 321.165 2.195 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCCO1 ZINC001231589441 801691253 /nfs/dbraw/zinc/69/12/53/801691253.db2.gz JIDIPSVAEFHSAN-QGZVFWFLSA-N 1 0 315.369 2.309 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001231849539 801737455 /nfs/dbraw/zinc/73/74/55/801737455.db2.gz VPFPCPHNDOPMEH-KRWDZBQOSA-N 1 0 310.413 2.448 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[N@@H+]1C ZINC001232200081 801814119 /nfs/dbraw/zinc/81/41/19/801814119.db2.gz PDLHUNNMYBAQCQ-CQSZACIVSA-N 1 0 323.868 2.313 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(NC(C)=O)CC2)cc1Cl ZINC001232263680 801832529 /nfs/dbraw/zinc/83/25/29/801832529.db2.gz CZCPDOFAYPENSG-UHFFFAOYSA-N 1 0 312.797 2.155 20 10 DECDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)O1 ZINC001232263340 801833738 /nfs/dbraw/zinc/83/37/38/801833738.db2.gz NFCATSJQCBYHMI-HNNXBMFYSA-N 1 0 311.765 2.423 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4ncncc34)CC2)cc1 ZINC001232653748 801933917 /nfs/dbraw/zinc/93/39/17/801933917.db2.gz GGESREWCNXHNAV-UHFFFAOYSA-N 1 0 323.400 2.240 20 10 DECDRO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2O)n1 ZINC001232840305 801969283 /nfs/dbraw/zinc/96/92/83/801969283.db2.gz SHMIUEPLETYIFT-AWEZNQCLSA-N 1 0 302.378 2.487 20 10 DECDRO COc1cccc(CC[N@H+](C)Cc2cc(O)c(O)c(O)c2)c1 ZINC001233013712 802002737 /nfs/dbraw/zinc/00/27/37/802002737.db2.gz SGEZUKVVFRZCRZ-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO C[C@H]1C[N@H+](Cc2c([O-])cc(Br)cc2F)C[C@H]1O ZINC001233028915 802005729 /nfs/dbraw/zinc/00/57/29/802005729.db2.gz VRHNGYUAPBLIRH-JVXZTZIISA-N 1 0 304.159 2.106 20 10 DECDRO COCCCC[NH+]1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233080540 802022142 /nfs/dbraw/zinc/02/21/42/802022142.db2.gz WPTKIPYUBPJKFZ-UHFFFAOYSA-N 1 0 314.376 2.215 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233287131 802064969 /nfs/dbraw/zinc/06/49/69/802064969.db2.gz XVMQTXULHNBBFO-INIZCTEOSA-N 1 0 306.450 2.452 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cc1O ZINC001233486070 802127231 /nfs/dbraw/zinc/12/72/31/802127231.db2.gz XBNBATUAIPYTAI-CQSZACIVSA-N 1 0 300.358 2.406 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1O ZINC001233486643 802127333 /nfs/dbraw/zinc/12/73/33/802127333.db2.gz WFUOQPFMBNNYBN-UHFFFAOYSA-N 1 0 317.341 2.163 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1O ZINC001233483056 802127640 /nfs/dbraw/zinc/12/76/40/802127640.db2.gz MLFHELDFUQMHCZ-CYBMUJFWSA-N 1 0 321.295 2.083 20 10 DECDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486952 802127714 /nfs/dbraw/zinc/12/77/14/802127714.db2.gz JIFAFFMMVDYKGZ-UHFFFAOYSA-N 1 0 323.389 2.359 20 10 DECDRO C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2cccc(O)c2C3=O)C[NH2+]1 ZINC001218046127 802137615 /nfs/dbraw/zinc/13/76/15/802137615.db2.gz KMBQLQVPHSIEKT-MNOVXSKESA-N 1 0 323.348 2.297 20 10 DECDRO O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@@H]1CCC[NH2+]C1 ZINC001218283215 802163634 /nfs/dbraw/zinc/16/36/34/802163634.db2.gz IIWRUOHTEZUADG-CYBMUJFWSA-N 1 0 313.353 2.460 20 10 DECDRO Nc1ccc(CC(=O)NCC2(CC3CCC3)CC[NH2+]CC2)cc1 ZINC001221130215 802532045 /nfs/dbraw/zinc/53/20/45/802532045.db2.gz INZAJLFLYWKQFS-UHFFFAOYSA-N 1 0 315.461 2.488 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001221240812 802542037 /nfs/dbraw/zinc/54/20/37/802542037.db2.gz CTNAXHUDZQTDOY-QGGXVJLZSA-N 1 0 313.401 2.409 20 10 DECDRO C[NH+]1CCC(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001331251518 1149403182 /nfs/dbraw/zinc/40/31/82/1149403182.db2.gz RNJPXPNPHFODDF-UHFFFAOYSA-N 1 0 303.406 2.149 20 10 DECDRO COc1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)c(O)c1OC ZINC001334955922 1150359950 /nfs/dbraw/zinc/35/99/50/1150359950.db2.gz LZSZYPKOSADYEO-SFHVURJKSA-N 1 0 317.385 2.407 20 10 DECDRO [NH3+]CCc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001331396444 1149434896 /nfs/dbraw/zinc/43/48/96/1149434896.db2.gz VDYIJNUXXHFHPF-UHFFFAOYSA-N 1 0 311.385 2.119 20 10 DECDRO C/C(=C\C(=O)N1CCCc2cc(CC[NH3+])ccc21)c1cnccn1 ZINC001574972435 1069316994 /nfs/dbraw/zinc/31/69/94/1069316994.db2.gz LXLCNLVGLXKIMF-SDNWHVSQSA-N 1 0 322.412 2.361 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(Cl)c1 ZINC001345076056 1150863639 /nfs/dbraw/zinc/86/36/39/1150863639.db2.gz DRJKFKXKQGASQA-LBPRGKRZSA-N 1 0 320.824 2.456 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001346225538 1150953686 /nfs/dbraw/zinc/95/36/86/1150953686.db2.gz QMRDBOWBPLSQOD-KGLIPLIRSA-N 1 0 304.438 2.188 20 10 DECDRO CC(C)CCOCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603283592 1069933401 /nfs/dbraw/zinc/93/34/01/1069933401.db2.gz XCIMAUVSMMIWRV-LBPRGKRZSA-N 1 0 319.409 2.286 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3nn[nH]n3)cs2)c1 ZINC001605876015 1070961397 /nfs/dbraw/zinc/96/13/97/1070961397.db2.gz ZGBNUMAGZMVZRG-SECBINFHSA-N 1 0 316.390 2.188 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001453642344 1057334429 /nfs/dbraw/zinc/33/44/29/1057334429.db2.gz OSNKDGCHPGCCMM-CQSZACIVSA-N 1 0 318.417 2.164 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC001461430804 1058657206 /nfs/dbraw/zinc/65/72/06/1058657206.db2.gz ABXOVTGPYNGVDD-UHFFFAOYSA-N 1 0 306.431 2.011 20 10 DECDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001462201091 1058779230 /nfs/dbraw/zinc/77/92/30/1058779230.db2.gz SCQNJTIQULORLH-ZANVPECISA-N 1 0 300.196 2.357 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)ccc1OC ZINC001474015688 1060796278 /nfs/dbraw/zinc/79/62/78/1060796278.db2.gz GLTNWYSISINWJP-INIZCTEOSA-N 1 0 320.433 2.331 20 10 DECDRO O=c1cc(C[NH2+]Cc2ccc(Cl)cc2O)nc2ccccn12 ZINC001474607418 1060904670 /nfs/dbraw/zinc/90/46/70/1060904670.db2.gz PHXYUWBGPXUVAX-UHFFFAOYSA-N 1 0 315.760 2.343 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(OCCO)CCOC1 ZINC001327265813 1148506816 /nfs/dbraw/zinc/50/68/16/1148506816.db2.gz FJGRXNNASQWODF-LBTNJELSSA-N 1 0 321.417 2.007 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCOC2)cc1C ZINC001568611990 1064990694 /nfs/dbraw/zinc/99/06/94/1064990694.db2.gz LRFXAPDIOGRPPE-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCO2)cc1C ZINC001495613189 1065006140 /nfs/dbraw/zinc/00/61/40/1065006140.db2.gz RJSXPVHKINEMES-CXAGYDPISA-N 1 0 320.433 2.025 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001623316580 1078200590 /nfs/dbraw/zinc/20/05/90/1078200590.db2.gz XZJNVVDOIHKGCC-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)OC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC001575740988 1066412449 /nfs/dbraw/zinc/41/24/49/1066412449.db2.gz LHFPEEOQLWDWKL-INIZCTEOSA-N 1 0 319.449 2.216 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC001577939548 1066956645 /nfs/dbraw/zinc/95/66/45/1066956645.db2.gz KXNQWXRCCFVJGS-PXAZEXFGSA-N 1 0 311.422 2.402 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC001578489582 1067118056 /nfs/dbraw/zinc/11/80/56/1067118056.db2.gz AASQQLJVDOHXFC-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO CN(Cc1ccccc1O)C(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC001578496679 1067118683 /nfs/dbraw/zinc/11/86/83/1067118683.db2.gz NQHAXKJHPWIZSD-XOYHFGRZSA-N 1 0 320.458 2.354 20 10 DECDRO COC(=O)COc1ccc(N(C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC001578813875 1067176502 /nfs/dbraw/zinc/17/65/02/1067176502.db2.gz ZXQLWANHIFAJSX-AWEZNQCLSA-N 1 0 306.406 2.064 20 10 DECDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001580258529 1067545292 /nfs/dbraw/zinc/54/52/92/1067545292.db2.gz SSNHIPYFPATUAZ-WPRPVWTQSA-N 1 0 306.387 2.170 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C)on2)cc1C ZINC001267344816 1078781263 /nfs/dbraw/zinc/78/12/63/1078781263.db2.gz UVAKCHYOHZEBQS-UHFFFAOYSA-N 1 0 317.389 2.162 20 10 DECDRO C[N@H+](CCC(=O)NCc1cccc(O)c1O)C1CCCCC1 ZINC001521851444 1069277078 /nfs/dbraw/zinc/27/70/78/1069277078.db2.gz MCFZVLRDMXDRPN-UHFFFAOYSA-N 1 0 306.406 2.369 20 10 DECDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001543013460 1072471957 /nfs/dbraw/zinc/47/19/57/1072471957.db2.gz MWZAYVYOTFHVCO-CQSZACIVSA-N 1 0 320.433 2.269 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001556122236 1075018957 /nfs/dbraw/zinc/01/89/57/1075018957.db2.gz GOHUPOICAVYJRO-QPBFKRLHSA-N 1 0 304.390 2.100 20 10 DECDRO CC[C@H](O)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560350553 1075138387 /nfs/dbraw/zinc/13/83/87/1075138387.db2.gz XUMGYGMYMWZUCE-INIZCTEOSA-N 1 0 323.456 2.218 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560864677 1075147875 /nfs/dbraw/zinc/14/78/75/1075147875.db2.gz WCLGKLWQAFQMQR-AWEZNQCLSA-N 1 0 310.463 2.473 20 10 DECDRO O=C(NCc1ccc(O)c(O)c1)c1ccc(C[NH+]2CCCC2)o1 ZINC001566359482 1075241285 /nfs/dbraw/zinc/24/12/85/1075241285.db2.gz DYZSWWHTDBPQRB-UHFFFAOYSA-N 1 0 316.357 2.217 20 10 DECDRO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(N2CCCCC2)cc1 ZINC001580565975 1075952389 /nfs/dbraw/zinc/95/23/89/1075952389.db2.gz GHBMRHFBFFVGPT-MRXNPFEDSA-N 1 0 301.434 2.293 20 10 DECDRO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1C[NH2+]CCC1(F)F ZINC001580708389 1075979905 /nfs/dbraw/zinc/97/99/05/1075979905.db2.gz OLMRPMSPZOHCAI-AWEZNQCLSA-N 1 0 320.339 2.406 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001580885491 1076014221 /nfs/dbraw/zinc/01/42/21/1076014221.db2.gz AHUZJVODNVPHDB-CYBMUJFWSA-N 1 0 310.825 2.436 20 10 DECDRO C[C@H](CS(C)(=O)=O)N(Cc1cc(F)c(F)cc1O)C1CC1 ZINC001651952305 1079842425 /nfs/dbraw/zinc/84/24/25/1079842425.db2.gz LBPXBILSUIOXFG-SECBINFHSA-N 1 0 319.373 2.068 20 10 DECDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC001652321176 1079868508 /nfs/dbraw/zinc/86/85/08/1079868508.db2.gz KZOSQNUFMOBVFC-GXSJLCMTSA-N 1 0 300.196 2.357 20 10 DECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)cc1F ZINC001653270399 1079922939 /nfs/dbraw/zinc/92/29/39/1079922939.db2.gz XVPRIWKASVXKQE-MRXNPFEDSA-N 1 0 310.344 2.170 20 10 DECDRO Cc1cc(CCNc2nc(N)[nH+]c(N)n2)c(C)n1-c1ccccc1 ZINC001655733614 1080016116 /nfs/dbraw/zinc/01/61/16/1080016116.db2.gz OMABCQJMOFNBIH-UHFFFAOYSA-N 1 0 323.404 2.098 20 10 DECDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001655899054 1080024663 /nfs/dbraw/zinc/02/46/63/1080024663.db2.gz SAJCFDXAITXGHV-DOTOQJQBSA-N 1 0 304.434 2.428 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CCOC)C2)cc1F ZINC001656525250 1080099059 /nfs/dbraw/zinc/09/90/59/1080099059.db2.gz NOXYJZBQOMPBOU-INIZCTEOSA-N 1 0 323.456 2.482 20 10 DECDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001658198865 1080202372 /nfs/dbraw/zinc/20/23/72/1080202372.db2.gz XJQHFLUREXLIAM-OAHLLOKOSA-N 1 0 322.449 2.400 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3COC(C)(C)O3)C2)cc1 ZINC001658537728 1080210397 /nfs/dbraw/zinc/21/03/97/1080210397.db2.gz KIAXUBGPWQBMDV-GRDNDAEWSA-N 1 0 320.433 2.404 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)c1 ZINC001658912021 1080221794 /nfs/dbraw/zinc/22/17/94/1080221794.db2.gz YUGQFMVATFZSEE-GOEBONIOSA-N 1 0 309.431 2.416 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C)CCN2C)cc1Cl ZINC001660047242 1080260247 /nfs/dbraw/zinc/26/02/47/1080260247.db2.gz HMOWUXZTAPESSE-DOMZBBRYSA-N 1 0 311.857 2.078 20 10 DECDRO OCc1csc(C[NH2+]CCCSc2nccs2)n1 ZINC001661540581 1080491805 /nfs/dbraw/zinc/49/18/05/1080491805.db2.gz XGBPGUWEMKCZIW-UHFFFAOYSA-N 1 0 301.462 2.364 20 10 DECDRO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(Br)cc2O)C1 ZINC001665014460 1080983636 /nfs/dbraw/zinc/98/36/36/1080983636.db2.gz ZLKFHSXVUHQERD-JOYOIKCWSA-N 1 0 300.196 2.357 20 10 DECDRO CCCN1C[C@@H](C[NH2+]Cc2c(C)cc(OC)cc2O)CC1=O ZINC001665031848 1080984536 /nfs/dbraw/zinc/98/45/36/1080984536.db2.gz JKKBFFGMGQDUPP-CYBMUJFWSA-N 1 0 306.406 2.057 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001669500763 1081454244 /nfs/dbraw/zinc/45/42/44/1081454244.db2.gz FQOCQKKZXVYOKJ-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO CCOCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001671265890 1082177794 /nfs/dbraw/zinc/17/77/94/1082177794.db2.gz FLMMOOZMRUOGHP-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958030 1083700882 /nfs/dbraw/zinc/70/08/82/1083700882.db2.gz CKGJQOXGVASLAG-ALXJQNPVSA-N 1 0 315.461 2.299 20 10 DECDRO COc1ccc(N2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1F ZINC001277009621 1083731444 /nfs/dbraw/zinc/73/14/44/1083731444.db2.gz KQEWHMMHJLRGFJ-UHFFFAOYSA-N 1 0 321.440 2.298 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(C=C(C(N)=O)CC3)CC2)c1 ZINC001277464409 1083984736 /nfs/dbraw/zinc/98/47/36/1083984736.db2.gz VEINBLCWWCGOBE-UHFFFAOYSA-N 1 0 316.401 2.189 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H]3C=C(C)OC(=O)C3)cc2)CC1 ZINC001234658265 1084190739 /nfs/dbraw/zinc/19/07/39/1084190739.db2.gz YWOZEGYWGQFYIG-KRWDZBQOSA-N 1 0 316.401 2.427 20 10 DECDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902866 1084455187 /nfs/dbraw/zinc/45/51/87/1084455187.db2.gz INZJHPPAIZBIOM-SFHVURJKSA-N 1 0 318.417 2.322 20 10 DECDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272982109 1085776716 /nfs/dbraw/zinc/77/67/16/1085776716.db2.gz FJXFERDHTJMKLH-FZKQIMNGSA-N 1 0 318.417 2.463 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC001626080151 1085987927 /nfs/dbraw/zinc/98/79/27/1085987927.db2.gz YAYIRZZDKCSWNG-OCCSQVGLSA-N 1 0 306.406 2.137 20 10 DECDRO Oc1cccc(F)c1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001276359874 1089244357 /nfs/dbraw/zinc/24/43/57/1089244357.db2.gz MIKVSFXSOWFKFA-GASCZTMLSA-N 1 0 320.408 2.359 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)cc1Cl ZINC001274527999 1091287088 /nfs/dbraw/zinc/28/70/88/1091287088.db2.gz BMTBNGINBDIRGP-INIZCTEOSA-N 1 0 324.808 2.251 20 10 DECDRO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267569 1091645021 /nfs/dbraw/zinc/64/50/21/1091645021.db2.gz RGIXEFIIEFKNOY-DZGCQCFKSA-N 1 0 303.406 2.016 20 10 DECDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(Br)ccc1O ZINC001275275360 1091646076 /nfs/dbraw/zinc/64/60/76/1091646076.db2.gz IHAAIRXRYHJSSV-STQMWFEESA-N 1 0 311.223 2.433 20 10 DECDRO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001275914248 1092300666 /nfs/dbraw/zinc/30/06/66/1092300666.db2.gz ZJYGERYGWMSYEV-WFASDCNBSA-N 1 0 321.396 2.155 20 10 DECDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c(O)cccc1Br ZINC001275945058 1092365722 /nfs/dbraw/zinc/36/57/22/1092365722.db2.gz IPXFQFFVJFRXMH-STQMWFEESA-N 1 0 311.223 2.433 20 10 DECDRO CC[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001490393364 1093342702 /nfs/dbraw/zinc/34/27/02/1093342702.db2.gz QOLMRLHJICZFJO-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C2CC2)cc1 ZINC001274023140 1093770169 /nfs/dbraw/zinc/77/01/69/1093770169.db2.gz SEALJQLOLVSEGM-QZTJIDSGSA-N 1 0 313.445 2.480 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c(O)c1OC ZINC001352007543 1151653676 /nfs/dbraw/zinc/65/36/76/1151653676.db2.gz YGAGTQIHGKNWEW-MCIONIFRSA-N 1 0 307.390 2.457 20 10 DECDRO CCN(CC)c1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236164301 1138335918 /nfs/dbraw/zinc/33/59/18/1138335918.db2.gz XITSVZCMKUCRQM-SFHVURJKSA-N 1 0 317.477 2.222 20 10 DECDRO CCc1ccc(C[NH+]2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001236788865 1138428668 /nfs/dbraw/zinc/42/86/68/1138428668.db2.gz RSSZBYQOCNPPTH-UHFFFAOYSA-N 1 0 312.417 2.375 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c(Cl)c1 ZINC001236808745 1138434885 /nfs/dbraw/zinc/43/48/85/1138434885.db2.gz RIAGTAQTEYPFJX-LLVKDONJSA-N 1 0 312.797 2.107 20 10 DECDRO COc1cc(C)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001236815453 1138438891 /nfs/dbraw/zinc/43/88/91/1138438891.db2.gz LUBBQDQSEVWILE-ZDUSSCGKSA-N 1 0 307.390 2.437 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[N@@H+]1C ZINC001236918413 1138457023 /nfs/dbraw/zinc/45/70/23/1138457023.db2.gz HJSODIBGGTXDRH-CQSZACIVSA-N 1 0 323.868 2.313 20 10 DECDRO CC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236926131 1138458450 /nfs/dbraw/zinc/45/84/50/1138458450.db2.gz BKNIASWPEBZLQI-UHFFFAOYSA-N 1 0 323.868 2.314 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CCOC(C)(C)C3)c(F)c2)CC1 ZINC001236930688 1138459911 /nfs/dbraw/zinc/45/99/11/1138459911.db2.gz FDFGHIQRXVRDRR-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO COCC1C[NH+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237061358 1138493285 /nfs/dbraw/zinc/49/32/85/1138493285.db2.gz FHZRBNOTCVGTAD-UHFFFAOYSA-N 1 0 316.195 2.242 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c(OC)c1 ZINC001237669778 1138747512 /nfs/dbraw/zinc/74/75/12/1138747512.db2.gz NJQGDROEVHHTBM-PXAZEXFGSA-N 1 0 309.406 2.392 20 10 DECDRO COc1cc(CN2CC([NH+]3CCCCC3)C2)c(O)c(OC)c1 ZINC001237679461 1138751850 /nfs/dbraw/zinc/75/18/50/1138751850.db2.gz VJXAICRUSGTORT-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)cc1Br ZINC001237679657 1138756931 /nfs/dbraw/zinc/75/69/31/1138756931.db2.gz TZVROQHMVLREEH-JTQLQIEISA-N 1 0 300.196 2.277 20 10 DECDRO Oc1cc(Cl)c(F)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001237945606 1138811771 /nfs/dbraw/zinc/81/17/71/1138811771.db2.gz HNPJMXWBCUBSTM-GFCCVEGCSA-N 1 0 314.788 2.091 20 10 DECDRO Cc1cc(F)cc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1O ZINC001238067321 1138819542 /nfs/dbraw/zinc/81/95/42/1138819542.db2.gz RXUZTMIBAWXQPF-INIZCTEOSA-N 1 0 308.397 2.136 20 10 DECDRO CC[C@@H](C)COC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239318861 1139020075 /nfs/dbraw/zinc/02/00/75/1139020075.db2.gz XJSDBIJEQAVUDN-CQSZACIVSA-N 1 0 305.422 2.369 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C(N)=O)C1 ZINC001320486232 1140870976 /nfs/dbraw/zinc/87/09/76/1140870976.db2.gz KNSPYMWIWHQUDY-RHSMWYFYSA-N 1 0 301.434 2.373 20 10 DECDRO CCOc1ccc(N2CCN([C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246949691 1141168183 /nfs/dbraw/zinc/16/81/83/1141168183.db2.gz PMORHKGJMQSBSU-RDJZCZTQSA-N 1 0 303.450 2.348 20 10 DECDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1C ZINC001321800625 1141345997 /nfs/dbraw/zinc/34/59/97/1141345997.db2.gz IIRVZHONSZUYNZ-UHFFFAOYSA-N 1 0 304.369 2.294 20 10 DECDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cn1 ZINC001249339061 1141876815 /nfs/dbraw/zinc/87/68/15/1141876815.db2.gz GZSKSXCZEZXHKB-GFCCVEGCSA-N 1 0 312.329 2.088 20 10 DECDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N)cc3)C2=O)cc1 ZINC001336284672 1142394943 /nfs/dbraw/zinc/39/49/43/1142394943.db2.gz BPFRWZWWKJTHTP-SFHVURJKSA-N 1 0 309.413 2.468 20 10 DECDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001251775506 1142509130 /nfs/dbraw/zinc/50/91/30/1142509130.db2.gz TVLYFVHEMHEMII-RBUKOAKNSA-N 1 0 317.477 2.486 20 10 DECDRO Nc1ccc(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001336946591 1142638248 /nfs/dbraw/zinc/63/82/48/1142638248.db2.gz KUHYOMHAJAJXLB-KRWDZBQOSA-N 1 0 312.417 2.028 20 10 DECDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)C[C@H](C)O1 ZINC001337833577 1142804208 /nfs/dbraw/zinc/80/42/08/1142804208.db2.gz CIBARZMOTAJGBQ-DAYGRLMNSA-N 1 0 303.450 2.342 20 10 DECDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253706079 1142894512 /nfs/dbraw/zinc/89/45/12/1142894512.db2.gz IIOJOVZKNPENDW-MRXNPFEDSA-N 1 0 317.385 2.338 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)c1cnn(C)c1 ZINC001254721291 1143314778 /nfs/dbraw/zinc/31/47/78/1143314778.db2.gz OWGFEHBJEAERGF-KYOSRNDESA-N 1 0 301.390 2.306 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c(O)c1 ZINC001254729765 1143316299 /nfs/dbraw/zinc/31/62/99/1143316299.db2.gz MBQUANIUPSSGLB-NXEZZACHSA-N 1 0 304.312 2.418 20 10 DECDRO Oc1cc2c(cc1O)C[N@@H+]([C@@H]1CC3CCN(CC3)C1)CCC2 ZINC001254864879 1143346875 /nfs/dbraw/zinc/34/68/75/1143346875.db2.gz UYGJYMOCHIPPEM-MRXNPFEDSA-N 1 0 302.418 2.330 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3SC=CC3=O)n2C)C[C@@H]1C ZINC001341279687 1143576420 /nfs/dbraw/zinc/57/64/20/1143576420.db2.gz GWUUFANRZBFPJU-WDEREUQCSA-N 1 0 321.450 2.168 20 10 DECDRO Cc1cc(C(=O)NOC[C@@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC001341956735 1143753077 /nfs/dbraw/zinc/75/30/77/1143753077.db2.gz BZBZRKURJHKTBE-GFCCVEGCSA-N 1 0 301.390 2.411 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3([NH3+])CC3)ccc21 ZINC001342060058 1143778194 /nfs/dbraw/zinc/77/81/94/1143778194.db2.gz XETFWQURMVFIHK-UHFFFAOYSA-N 1 0 315.417 2.126 20 10 DECDRO CCOC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001256045188 1143824674 /nfs/dbraw/zinc/82/46/74/1143824674.db2.gz KIIDVVCGLCMHIJ-INIZCTEOSA-N 1 0 305.422 2.415 20 10 DECDRO C[NH2+]CCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001263110957 1144356824 /nfs/dbraw/zinc/35/68/24/1144356824.db2.gz NCEARMKNXBUTHE-MRXNPFEDSA-N 1 0 320.433 2.290 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(C(N)=O)cc2)cc1F ZINC001308181387 1147451534 /nfs/dbraw/zinc/45/15/34/1147451534.db2.gz WOQNMQVEDODJIT-UHFFFAOYSA-N 1 0 319.355 2.420 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC001308695285 1147482891 /nfs/dbraw/zinc/48/28/91/1147482891.db2.gz HOVIVPQDLBNIFP-UHFFFAOYSA-N 1 0 318.417 2.154 20 10 DECDRO CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317053035 1147653615 /nfs/dbraw/zinc/65/36/15/1147653615.db2.gz DMFBOFIPVOPAEP-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)C1CC1 ZINC001325580377 1147954614 /nfs/dbraw/zinc/95/46/14/1147954614.db2.gz BHRDGJDUBGAUAU-YPMHNXCESA-N 1 0 309.431 2.416 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NCCCC[NH3+])cc1 ZINC001325681970 1147983555 /nfs/dbraw/zinc/98/35/55/1147983555.db2.gz RIHYUKFNKXRQPR-UHFFFAOYSA-N 1 0 306.454 2.413 20 10 DECDRO [NH3+]CCCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326133135 1148044117 /nfs/dbraw/zinc/04/41/17/1148044117.db2.gz NXCTZDXGFKVKJF-UHFFFAOYSA-N 1 0 317.389 2.436 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000092754343 185338197 /nfs/dbraw/zinc/33/81/97/185338197.db2.gz PAZFFYMRJDROIJ-UHFFFAOYSA-N 1 0 304.438 2.119 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000378315365 529779823 /nfs/dbraw/zinc/77/98/23/529779823.db2.gz IQZMWZHVJRDTSG-QGZVFWFLSA-N 1 0 315.461 2.443 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCCCC[NH2+]3)ccc21 ZINC000372497111 530065875 /nfs/dbraw/zinc/06/58/75/530065875.db2.gz OSJCUNLMZHRQEE-INIZCTEOSA-N 1 0 301.434 2.217 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc2ccccc2c1O ZINC000290075975 299299375 /nfs/dbraw/zinc/29/93/75/299299375.db2.gz GJPBNDFWLGDBQU-LBPRGKRZSA-N 1 0 322.430 2.087 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(=O)N1CCOCC1 ZINC000273559632 130136740 /nfs/dbraw/zinc/13/67/40/130136740.db2.gz HVVAAZPLSZVDNU-GOEBONIOSA-N 1 0 320.433 2.297 20 10 DECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274911264 130273562 /nfs/dbraw/zinc/27/35/62/130273562.db2.gz IZLWAIWPIZCWMT-VXGBXAGGSA-N 1 0 308.422 2.312 20 10 DECDRO CCOCc1cc(C[NH2+]CCC2(O)CCOCC2)ccc1OC ZINC000285492974 131174024 /nfs/dbraw/zinc/17/40/24/131174024.db2.gz MDRPJFBDMQSODZ-UHFFFAOYSA-N 1 0 323.433 2.253 20 10 DECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000285835509 131204215 /nfs/dbraw/zinc/20/42/15/131204215.db2.gz HKNPTSSTSWYCBH-YJBOKZPZSA-N 1 0 303.450 2.048 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000289485700 131389969 /nfs/dbraw/zinc/38/99/69/131389969.db2.gz RATLCSAVQOKNEP-GFCCVEGCSA-N 1 0 300.196 2.324 20 10 DECDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289593552 131399882 /nfs/dbraw/zinc/39/98/82/131399882.db2.gz BDIQGNVRSROUHE-SJORKVTESA-N 1 0 303.450 2.345 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000298308279 132056158 /nfs/dbraw/zinc/05/61/58/132056158.db2.gz YKXZBPGUZBSFBT-UHFFFAOYSA-N 1 0 315.461 2.489 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000119105234 401926082 /nfs/dbraw/zinc/92/60/82/401926082.db2.gz STRCJLWKGSKVCQ-UHFFFAOYSA-N 1 0 301.434 2.197 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000091927137 401999310 /nfs/dbraw/zinc/99/93/10/401999310.db2.gz OGENAUSDDWQCOW-GOEBONIOSA-N 1 0 307.390 2.171 20 10 DECDRO O=C1OCC[C@H]1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120529675 401993138 /nfs/dbraw/zinc/99/31/38/401993138.db2.gz AQBXFLOIKJPVES-ZBFHGGJFSA-N 1 0 319.401 2.326 20 10 DECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093610413 402017359 /nfs/dbraw/zinc/01/73/59/402017359.db2.gz LYAKINUXWLFMTF-HNNXBMFYSA-N 1 0 308.447 2.233 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccncc3)C1)OCO2 ZINC000121201540 402019808 /nfs/dbraw/zinc/01/98/08/402019808.db2.gz GBNDLMVFYWNWAD-CQSZACIVSA-N 1 0 314.341 2.169 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NCC[NH+](C)C)c2C)cc1 ZINC000153931091 402180998 /nfs/dbraw/zinc/18/09/98/402180998.db2.gz JNUNHTDMRFAYJF-UHFFFAOYSA-N 1 0 315.417 2.394 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000184691557 402291960 /nfs/dbraw/zinc/29/19/60/402291960.db2.gz ZPVFUPPXWNAVJS-CYBMUJFWSA-N 1 0 315.797 2.028 20 10 DECDRO CC(=O)NCCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184921463 402309491 /nfs/dbraw/zinc/30/94/91/402309491.db2.gz HBDNRYHUNYCDGO-SECBINFHSA-N 1 0 315.211 2.332 20 10 DECDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000186090284 402400310 /nfs/dbraw/zinc/40/03/10/402400310.db2.gz QWUPNGHJKGIOLD-SNVBAGLBSA-N 1 0 301.383 2.007 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)ccc21 ZINC000166473849 402485206 /nfs/dbraw/zinc/48/52/06/402485206.db2.gz OXOJUHUXKSMMDZ-GOSISDBHSA-N 1 0 323.440 2.255 20 10 DECDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000179005888 402564171 /nfs/dbraw/zinc/56/41/71/402564171.db2.gz VPZRRQAWLHURRA-OAHLLOKOSA-N 1 0 312.417 2.171 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188761227 402525285 /nfs/dbraw/zinc/52/52/85/402525285.db2.gz ZIEDFOMDCRJNSH-DOTOQJQBSA-N 1 0 319.424 2.239 20 10 DECDRO Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(O)c1O ZINC000179387320 402588065 /nfs/dbraw/zinc/58/80/65/402588065.db2.gz PFVHYZJRKNSMHR-OAHLLOKOSA-N 1 0 314.385 2.439 20 10 DECDRO C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179632911 402596316 /nfs/dbraw/zinc/59/63/16/402596316.db2.gz PDUCPCOHHOXNGO-SNVBAGLBSA-N 1 0 313.785 2.337 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000262851696 402735505 /nfs/dbraw/zinc/73/55/05/402735505.db2.gz KDVZKKUTIHZSLX-SWLSCSKDSA-N 1 0 312.417 2.359 20 10 DECDRO COc1ccc(O)c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278340025 402863317 /nfs/dbraw/zinc/86/33/17/402863317.db2.gz HNOMRQZJARJQRA-UHFFFAOYSA-N 1 0 311.275 2.407 20 10 DECDRO CCCN(Cc1cnn(CCOC)c1)c1ccc(C[NH3+])cc1 ZINC000278366632 402863588 /nfs/dbraw/zinc/86/35/88/402863588.db2.gz KFBZZLVMCJPDME-UHFFFAOYSA-N 1 0 302.422 2.405 20 10 DECDRO COc1c([O-])c(C[NH2+]CCCOCC2CC2)ccc1[N+](=O)[O-] ZINC000278619852 402869104 /nfs/dbraw/zinc/86/91/04/402869104.db2.gz FSAXMLCNQCDYAL-UHFFFAOYSA-N 1 0 310.350 2.215 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(C3(C)OCCO3)CC2)c1 ZINC000271748878 402883602 /nfs/dbraw/zinc/88/36/02/402883602.db2.gz UKIKMOQCUSUODY-UHFFFAOYSA-N 1 0 307.390 2.376 20 10 DECDRO COc1cc(O)c(C[NH2+]CC2(CCO)CCCC2)cc1OC ZINC000271778598 402884194 /nfs/dbraw/zinc/88/41/94/402884194.db2.gz CZWRINNTDCWPJI-UHFFFAOYSA-N 1 0 309.406 2.442 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2ccc(O)cc2)cc1OC ZINC000271843978 402884665 /nfs/dbraw/zinc/88/46/65/402884665.db2.gz GLPCFAZNPKQHTM-UHFFFAOYSA-N 1 0 303.358 2.447 20 10 DECDRO Cc1cccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000271876975 402884943 /nfs/dbraw/zinc/88/49/43/402884943.db2.gz ZPFRIXAQBGRKCS-DLBZAZTESA-N 1 0 301.386 2.275 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280547673 403011659 /nfs/dbraw/zinc/01/16/59/403011659.db2.gz TUGGHXGNXFIYOB-ZDUSSCGKSA-N 1 0 307.390 2.171 20 10 DECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268821748 403117735 /nfs/dbraw/zinc/11/77/35/403117735.db2.gz HQSDUUKEAXHZHY-LSDHHAIUSA-N 1 0 306.450 2.408 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000268998927 403122467 /nfs/dbraw/zinc/12/24/67/403122467.db2.gz IRGLILDNCYYUAL-UONOGXRCSA-N 1 0 310.413 2.474 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1F ZINC000282853662 403162061 /nfs/dbraw/zinc/16/20/61/403162061.db2.gz PRYBRBSYKNTWQT-HNNXBMFYSA-N 1 0 305.397 2.183 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)c(C)n1-c1ccccn1 ZINC000269295414 403128806 /nfs/dbraw/zinc/12/88/06/403128806.db2.gz VUHKNAMSCUGZRJ-OAHLLOKOSA-N 1 0 300.406 2.202 20 10 DECDRO CC1=CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000270130751 403179037 /nfs/dbraw/zinc/17/90/37/403179037.db2.gz GZHRKWXRLAMQBQ-UHFFFAOYSA-N 1 0 301.434 2.363 20 10 DECDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635396 403524237 /nfs/dbraw/zinc/52/42/37/403524237.db2.gz LUPRZYOBXJGIPN-KRWDZBQOSA-N 1 0 304.390 2.039 20 10 DECDRO CN(CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294542634 403722423 /nfs/dbraw/zinc/72/24/23/403722423.db2.gz JACBMJKZVYHPLQ-UHFFFAOYSA-N 1 0 303.431 2.302 20 10 DECDRO COCCOC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000294815858 403735676 /nfs/dbraw/zinc/73/56/76/403735676.db2.gz OJHJZUYWUJVLQV-UHFFFAOYSA-N 1 0 323.433 2.311 20 10 DECDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cn1 ZINC000294867987 403736226 /nfs/dbraw/zinc/73/62/26/403736226.db2.gz PAIVCSUTNCYFJW-LLVKDONJSA-N 1 0 305.378 2.477 20 10 DECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289911105 404007994 /nfs/dbraw/zinc/00/79/94/404007994.db2.gz JTDMPWWWWZFETJ-HZPDHXFCSA-N 1 0 301.434 2.073 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367048722 404911143 /nfs/dbraw/zinc/91/11/43/404911143.db2.gz XZGBIDOEYPOIJX-SFHVURJKSA-N 1 0 302.418 2.278 20 10 DECDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000368134013 405229332 /nfs/dbraw/zinc/22/93/32/405229332.db2.gz LFWDYJFGJLTSKF-INIZCTEOSA-N 1 0 301.434 2.374 20 10 DECDRO Oc1ccc(Cl)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000129756578 224634126 /nfs/dbraw/zinc/63/41/26/224634126.db2.gz OGHBOZBKJLYERX-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418100988 229220094 /nfs/dbraw/zinc/22/00/94/229220094.db2.gz QPJMPPASNSEYSH-KGLIPLIRSA-N 1 0 314.433 2.379 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000834906396 649859088 /nfs/dbraw/zinc/85/90/88/649859088.db2.gz PYHCDDKNHGOHLJ-QIIPPGSGSA-N 1 0 322.424 2.474 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)C[S@](C)=O)CC2)cc1 ZINC000364947460 277908916 /nfs/dbraw/zinc/90/89/16/277908916.db2.gz IHDAYTSEKYLMOV-ASSNKEHSSA-N 1 0 310.463 2.021 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000157912548 278650620 /nfs/dbraw/zinc/65/06/20/278650620.db2.gz UMLXENBMPBJYDR-HOCLYGCPSA-N 1 0 312.417 2.346 20 10 DECDRO CCc1cccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001349878004 1151301578 /nfs/dbraw/zinc/30/15/78/1151301578.db2.gz MVPVXUCHXFYXEL-HNNXBMFYSA-N 1 0 300.406 2.057 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001357351191 1152292288 /nfs/dbraw/zinc/29/22/88/1152292288.db2.gz OHGXTSPVLJOGEJ-YCPHGPKFSA-N 1 0 318.465 2.440 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC001357740680 1152333302 /nfs/dbraw/zinc/33/33/02/1152333302.db2.gz QFGSRCAAVIZYCX-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025548 649867968 /nfs/dbraw/zinc/86/79/68/649867968.db2.gz KSAPAYJDACSERS-RCELQXLSSA-N 1 0 301.434 2.352 20 10 DECDRO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)CCOCC1 ZINC000294030697 534352773 /nfs/dbraw/zinc/35/27/73/534352773.db2.gz OEXVQHOIWSFYAK-GOSISDBHSA-N 1 0 317.429 2.279 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000835028476 649868752 /nfs/dbraw/zinc/86/87/52/649868752.db2.gz RKFCMELKTYDYEA-OSJSJHBBSA-N 1 0 301.434 2.496 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1F ZINC000364582916 520903955 /nfs/dbraw/zinc/90/39/55/520903955.db2.gz ULIGZAVBSFZBFG-RDTXWAMCSA-N 1 0 319.424 2.288 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)c1 ZINC000188120942 521145910 /nfs/dbraw/zinc/14/59/10/521145910.db2.gz UELUDJIGTJYSCI-IUODEOHRSA-N 1 0 307.390 2.422 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)OC)o2)c1 ZINC000265154526 521152755 /nfs/dbraw/zinc/15/27/55/521152755.db2.gz LPZJPIBBKKCWSU-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228099291 521774496 /nfs/dbraw/zinc/77/44/96/521774496.db2.gz OTSFDKVKIIZWCN-OAHLLOKOSA-N 1 0 312.797 2.012 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000130994384 522181660 /nfs/dbraw/zinc/18/16/60/522181660.db2.gz PTDCINNTSAPPHH-MRXNPFEDSA-N 1 0 321.440 2.046 20 10 DECDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1OC ZINC000179892939 522774368 /nfs/dbraw/zinc/77/43/68/522774368.db2.gz DTEJOIKJFORHGR-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2)cc1OC ZINC000182218348 522780287 /nfs/dbraw/zinc/78/02/87/522780287.db2.gz VXMKBUQDEBCHQX-SFHVURJKSA-N 1 0 317.385 2.407 20 10 DECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000156337341 523357898 /nfs/dbraw/zinc/35/78/98/523357898.db2.gz ZMQWGWBIYUOHJJ-AWEZNQCLSA-N 1 0 309.431 2.490 20 10 DECDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000365115598 527407507 /nfs/dbraw/zinc/40/75/07/527407507.db2.gz GRFZADIDCLKAAO-UHFFFAOYSA-N 1 0 302.334 2.334 20 10 DECDRO Nc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000237971305 527491876 /nfs/dbraw/zinc/49/18/76/527491876.db2.gz KDQINZYIGMBEKG-UHFFFAOYSA-N 1 0 303.406 2.242 20 10 DECDRO CC[N@@H+]1CC[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000413504243 527783565 /nfs/dbraw/zinc/78/35/65/527783565.db2.gz PXZQFEJOIRMWRV-CQSZACIVSA-N 1 0 314.433 2.380 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000292956968 535462235 /nfs/dbraw/zinc/46/22/35/535462235.db2.gz JCBXSDZNDGACKQ-HNNXBMFYSA-N 1 0 314.385 2.497 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000285532819 535685983 /nfs/dbraw/zinc/68/59/83/535685983.db2.gz FPMPUJLEHMCWAQ-ZDUSSCGKSA-N 1 0 300.406 2.467 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000835041653 649870421 /nfs/dbraw/zinc/87/04/21/649870421.db2.gz CSGHREADYDANRX-VOTSOKGWSA-N 1 0 310.463 2.179 20 10 DECDRO C[C@H]([C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000835038379 649870434 /nfs/dbraw/zinc/87/04/34/649870434.db2.gz QICBKHAQRVBQOO-LZCSOBMZSA-N 1 0 317.477 2.465 20 10 DECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[S@](=O)C1 ZINC000835048361 649871463 /nfs/dbraw/zinc/87/14/63/649871463.db2.gz HMBPBIGYIGDQPP-BCSBQKBHSA-N 1 0 306.475 2.466 20 10 DECDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052494 649872373 /nfs/dbraw/zinc/87/23/73/649872373.db2.gz DOFOWQJFWRHJIF-VBROQKIQSA-N 1 0 322.474 2.321 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000835053396 649872403 /nfs/dbraw/zinc/87/24/03/649872403.db2.gz BXIWHAVHHAJRCY-VOFKWLDRSA-N 1 0 317.477 2.202 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736828071 598618000 /nfs/dbraw/zinc/61/80/00/598618000.db2.gz GYKKLPWLUHPWOO-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840909350 625562305 /nfs/dbraw/zinc/56/23/05/625562305.db2.gz QPNOYAMNOJLBAQ-LLVKDONJSA-N 1 0 311.813 2.247 20 10 DECDRO C[C@H]1CCC[C@](CNC(=O)c2cccc(O)c2O)([NH+](C)C)C1 ZINC000192989245 625594408 /nfs/dbraw/zinc/59/44/08/625594408.db2.gz LXAVDTMTWKSGDY-SJCJKPOMSA-N 1 0 306.406 2.338 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CSC)C2)cc1C ZINC001026665994 625632616 /nfs/dbraw/zinc/63/26/16/625632616.db2.gz ZVXPWWSKWJPLRL-HNNXBMFYSA-N 1 0 322.474 2.305 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000970836871 623734396 /nfs/dbraw/zinc/73/43/96/623734396.db2.gz BWGQBXHIENKKQU-CQSZACIVSA-N 1 0 315.377 2.063 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000891253488 623799658 /nfs/dbraw/zinc/79/96/58/623799658.db2.gz SRLTYINMCZZXII-AEFFLSMTSA-N 1 0 319.449 2.041 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(O)cc1C ZINC000160474394 623822024 /nfs/dbraw/zinc/82/20/24/623822024.db2.gz LBKXMSNEXVQHEN-CQSZACIVSA-N 1 0 316.405 2.213 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000891534826 624471466 /nfs/dbraw/zinc/47/14/66/624471466.db2.gz QMEZLFLZWIVTQM-OCCSQVGLSA-N 1 0 322.428 2.303 20 10 DECDRO CC(C)([NH3+])CCNC(=O)NCCCSc1nccs1 ZINC000891674457 624526232 /nfs/dbraw/zinc/52/62/32/624526232.db2.gz MBRYIHUGEVTKBW-UHFFFAOYSA-N 1 0 302.469 2.052 20 10 DECDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000892118991 624788116 /nfs/dbraw/zinc/78/81/16/624788116.db2.gz JXFKADQWAYZFKB-QGZVFWFLSA-N 1 0 323.396 2.304 20 10 DECDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000161278631 624886475 /nfs/dbraw/zinc/88/64/75/624886475.db2.gz YEIBHJCIXCEACS-UHFFFAOYSA-N 1 0 303.450 2.450 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000836249730 650070952 /nfs/dbraw/zinc/07/09/52/650070952.db2.gz WXDMLCZVFRTCSW-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)NCc1ccco1 ZINC000921522207 633582481 /nfs/dbraw/zinc/58/24/81/633582481.db2.gz OJZYUAAGMGEZKH-UHFFFAOYSA-N 1 0 300.358 2.011 20 10 DECDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977663561 634091448 /nfs/dbraw/zinc/09/14/48/634091448.db2.gz SKVZCCWGUHZYFW-CYBMUJFWSA-N 1 0 317.393 2.309 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(S(C)(=O)=O)CC1 ZINC000922121968 635880668 /nfs/dbraw/zinc/88/06/68/635880668.db2.gz JPIJWDPDHGTSDW-GFCCVEGCSA-N 1 0 309.431 2.067 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)[C@]1(O)CCOC1 ZINC000922212994 636007112 /nfs/dbraw/zinc/00/71/12/636007112.db2.gz VOUKAMDHMYEPDA-SFHVURJKSA-N 1 0 305.418 2.279 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnn(CCF)c3)C2)cc1 ZINC000922238681 636023917 /nfs/dbraw/zinc/02/39/17/636023917.db2.gz WROBLRRTAVGKNU-HNNXBMFYSA-N 1 0 318.396 2.230 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c(O)c1 ZINC000922524474 636217544 /nfs/dbraw/zinc/21/75/44/636217544.db2.gz KXTBVUSWWVBHBJ-HOTGVXAUSA-N 1 0 322.474 2.460 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1Cn1cccn1 ZINC000922556451 636238710 /nfs/dbraw/zinc/23/87/10/636238710.db2.gz UKXGOLAPQJDIBV-YOEHRIQHSA-N 1 0 314.433 2.122 20 10 DECDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(O)c1O ZINC000251437143 636269337 /nfs/dbraw/zinc/26/93/37/636269337.db2.gz CKSIZCLUUGPIII-UPJWGTAASA-N 1 0 306.406 2.194 20 10 DECDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1O ZINC000894170483 636380178 /nfs/dbraw/zinc/38/01/78/636380178.db2.gz UOJZJUSIGPPJSG-UHFFFAOYSA-N 1 0 320.433 2.446 20 10 DECDRO CCN(CC)C(=O)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894178433 636393564 /nfs/dbraw/zinc/39/35/64/636393564.db2.gz HVNHGHKFWGCFOV-UHFFFAOYSA-N 1 0 308.422 2.447 20 10 DECDRO C[N@H+](CCCCNC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000922807430 636421012 /nfs/dbraw/zinc/42/10/12/636421012.db2.gz BGSKSNBXOAOTCP-UHFFFAOYSA-N 1 0 309.385 2.205 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000319728284 636682294 /nfs/dbraw/zinc/68/22/94/636682294.db2.gz BQVJLSWWHFIEOL-GFCCVEGCSA-N 1 0 318.417 2.452 20 10 DECDRO CCOCc1cc(C[NH2+]CCO[C@@H]2CCOC2)ccc1OC ZINC000922938202 636863902 /nfs/dbraw/zinc/86/39/02/636863902.db2.gz ARHHOEOTVIOBLQ-MRXNPFEDSA-N 1 0 309.406 2.127 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CC1 ZINC000923008457 636913350 /nfs/dbraw/zinc/91/33/50/636913350.db2.gz ZYQICWPBXLEGQY-UHFFFAOYSA-N 1 0 305.422 2.408 20 10 DECDRO O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCOCC2 ZINC000923019006 636917801 /nfs/dbraw/zinc/91/78/01/636917801.db2.gz LQIOEYODBUNCSF-IRXDYDNUSA-N 1 0 303.402 2.031 20 10 DECDRO COC(=O)c1c(C[NH2+][C@@H](C)C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894437136 637038464 /nfs/dbraw/zinc/03/84/64/637038464.db2.gz NIEKAGBNDULJLL-QWRGUYRKSA-N 1 0 322.380 2.353 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000894492167 637071632 /nfs/dbraw/zinc/07/16/32/637071632.db2.gz ZRIQPKAYDQNCMA-UHFFFAOYSA-N 1 0 315.435 2.014 20 10 DECDRO CC[N@@H+](Cc1cc(C)cc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000894492662 637071734 /nfs/dbraw/zinc/07/17/34/637071734.db2.gz DZUMADQQKYEPFW-GFCCVEGCSA-N 1 0 307.312 2.454 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1O ZINC000894564915 637108759 /nfs/dbraw/zinc/10/87/59/637108759.db2.gz BFZGNYLOJHVVSM-HNNXBMFYSA-N 1 0 322.449 2.300 20 10 DECDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(N2CCOCC2)cc1 ZINC000923436192 637179786 /nfs/dbraw/zinc/17/97/86/637179786.db2.gz OJOQONUQNOZAGG-JYJNAYRXSA-N 1 0 303.450 2.094 20 10 DECDRO COc1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c(O)c1OC ZINC000894722873 637185589 /nfs/dbraw/zinc/18/55/89/637185589.db2.gz DOOCYQIWCYSDDQ-GDBMZVCRSA-N 1 0 321.417 2.296 20 10 DECDRO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(O)c1OC ZINC000894793312 637216452 /nfs/dbraw/zinc/21/64/52/637216452.db2.gz CLGWAEAJRVAJBN-CQSZACIVSA-N 1 0 308.422 2.324 20 10 DECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894881263 637286993 /nfs/dbraw/zinc/28/69/93/637286993.db2.gz VAPRVSHPGJQVDM-HNNXBMFYSA-N 1 0 308.422 2.302 20 10 DECDRO CCCN1C[C@H](C[NH2+]Cc2cc(C)cc(OC)c2O)CC1=O ZINC000895031319 637395698 /nfs/dbraw/zinc/39/56/98/637395698.db2.gz OMFQFRLWFZRVDJ-ZDUSSCGKSA-N 1 0 306.406 2.057 20 10 DECDRO Fc1cc(C[NH+]2CC3(C2)CCOCC3)ccc1N1CCOCC1 ZINC000839140173 637803447 /nfs/dbraw/zinc/80/34/47/637803447.db2.gz BGWBRKSVXVEPKW-UHFFFAOYSA-N 1 0 320.408 2.275 20 10 DECDRO COc1ccc(CNCC[C@@H](C)[NH+](C)C)cc1Cn1cccn1 ZINC000895290723 637894311 /nfs/dbraw/zinc/89/43/11/637894311.db2.gz SDCRLVGSPSOBTB-OAHLLOKOSA-N 1 0 316.449 2.370 20 10 DECDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499779 637897591 /nfs/dbraw/zinc/89/75/91/637897591.db2.gz TXXACQNOCGOMIQ-HUUCEWRRSA-N 1 0 303.450 2.489 20 10 DECDRO C[N@@H+]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000743430560 638146237 /nfs/dbraw/zinc/14/62/37/638146237.db2.gz KLZITXJLRRESMR-OAHLLOKOSA-N 1 0 314.385 2.466 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C=CCC2)[NH+](C)C)cc1 ZINC000895719443 638164723 /nfs/dbraw/zinc/16/47/23/638164723.db2.gz RXRSGVLGQAETRO-RDJZCZTQSA-N 1 0 316.449 2.373 20 10 DECDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895834887 638225292 /nfs/dbraw/zinc/22/52/92/638225292.db2.gz TZFKZDSOJGIAFG-JTQLQIEISA-N 1 0 306.387 2.137 20 10 DECDRO COc1cc(Br)cc(CN2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000841024194 650407549 /nfs/dbraw/zinc/40/75/49/650407549.db2.gz KOZXUJDNUODBLO-KWQFWETISA-N 1 0 315.211 2.085 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc3c2OCO3)cc1 ZINC000841039877 650411680 /nfs/dbraw/zinc/41/16/80/650411680.db2.gz DQUCETNPUXVMEN-INIZCTEOSA-N 1 0 313.401 2.271 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c(O)c1OC ZINC000896049338 638324756 /nfs/dbraw/zinc/32/47/56/638324756.db2.gz XBQIMBQXGSZEBE-ZDUSSCGKSA-N 1 0 307.390 2.458 20 10 DECDRO Cc1cccn2c(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)cnc12 ZINC000841042494 650412809 /nfs/dbraw/zinc/41/28/09/650412809.db2.gz KNIUQDZSHBUAIG-SFHVURJKSA-N 1 0 323.444 2.498 20 10 DECDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C2)ccc1N1CCCCC1 ZINC000841045197 650413436 /nfs/dbraw/zinc/41/34/36/650413436.db2.gz ONPUGJGJVOTKAR-CQSZACIVSA-N 1 0 304.394 2.037 20 10 DECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000896126769 638368781 /nfs/dbraw/zinc/36/87/81/638368781.db2.gz UARIQZQPXYFAEC-PWSUYJOCSA-N 1 0 312.360 2.462 20 10 DECDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000746709262 638371873 /nfs/dbraw/zinc/37/18/73/638371873.db2.gz GNEYKVFYFKDWFP-ZDUSSCGKSA-N 1 0 312.435 2.027 20 10 DECDRO [NH3+]CC[C@@H](NCc1cccc(Br)c1[O-])C(F)F ZINC000841074667 650423031 /nfs/dbraw/zinc/42/30/31/650423031.db2.gz PYJACEAEAVWBRO-SECBINFHSA-N 1 0 309.154 2.227 20 10 DECDRO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000841099349 650430758 /nfs/dbraw/zinc/43/07/58/650430758.db2.gz ILBVHYHWNCLJPP-WBVHZDCISA-N 1 0 308.397 2.250 20 10 DECDRO C[NH2+]CCCN(C)Cc1cc(Br)cc(OC)c1O ZINC000841103739 650432043 /nfs/dbraw/zinc/43/20/43/650432043.db2.gz JDHOSKZVDUYLDC-UHFFFAOYSA-N 1 0 317.227 2.205 20 10 DECDRO CCOc1cccc(C[NH2+]CCCNc2ncccn2)c1O ZINC000751507967 639089049 /nfs/dbraw/zinc/08/90/49/639089049.db2.gz ZXCITESDGBPTKM-UHFFFAOYSA-N 1 0 302.378 2.173 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)c1 ZINC000186018933 639089703 /nfs/dbraw/zinc/08/97/03/639089703.db2.gz DRZBCGJGQMJSSH-OLZOCXBDSA-N 1 0 306.406 2.452 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC000753594439 639318725 /nfs/dbraw/zinc/31/87/25/639318725.db2.gz CLJRHHZYRRMHSW-UHFFFAOYSA-N 1 0 321.417 2.420 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC3)[C@@H]2C)cc1C ZINC000985850660 639664328 /nfs/dbraw/zinc/66/43/28/639664328.db2.gz UZMLQZAVQWUNOY-CJNGLKHVSA-N 1 0 302.418 2.493 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)[C@@H]2C)cc1C ZINC000985859722 639667362 /nfs/dbraw/zinc/66/73/62/639667362.db2.gz LNVKAOSPYWLQAB-DGCLKSJQSA-N 1 0 312.360 2.348 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(Br)cc1O ZINC000756659272 639683419 /nfs/dbraw/zinc/68/34/19/639683419.db2.gz CFAMQQWZUPKJEL-JGVFFNPUSA-N 1 0 301.184 2.069 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000756662175 639683692 /nfs/dbraw/zinc/68/36/92/639683692.db2.gz XGOYHPSZGJNZMQ-STQMWFEESA-N 1 0 305.374 2.496 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1C ZINC000756786008 639694574 /nfs/dbraw/zinc/69/45/74/639694574.db2.gz HYBBEVRSRCCQRY-DZKIICNBSA-N 1 0 320.433 2.295 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000839672496 639799491 /nfs/dbraw/zinc/79/94/91/639799491.db2.gz VCWBLCZFXHNULE-AWEZNQCLSA-N 1 0 308.447 2.091 20 10 DECDRO NC(=O)c1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)on1 ZINC000757906800 639893620 /nfs/dbraw/zinc/89/36/20/639893620.db2.gz OWZCFTYMCYPOMX-UHFFFAOYSA-N 1 0 323.352 2.436 20 10 DECDRO O=C1NCCc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc21 ZINC000757935627 639897235 /nfs/dbraw/zinc/89/72/35/639897235.db2.gz CCALDAMYCAHWSK-UHFFFAOYSA-N 1 0 308.381 2.197 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000841719222 650551295 /nfs/dbraw/zinc/55/12/95/650551295.db2.gz GNJRRTCHECYCFT-INIZCTEOSA-N 1 0 318.465 2.413 20 10 DECDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709768 650546995 /nfs/dbraw/zinc/54/69/95/650546995.db2.gz MIMXGMUAALCCAP-PBHICJAKSA-N 1 0 316.449 2.084 20 10 DECDRO C[C@H](CNC(=O)NCCc1ccc(N)cc1)C[NH+]1CCCCC1 ZINC000841722683 650552167 /nfs/dbraw/zinc/55/21/67/650552167.db2.gz XSQJGJQPPMNTGE-OAHLLOKOSA-N 1 0 318.465 2.233 20 10 DECDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758314 650557963 /nfs/dbraw/zinc/55/79/63/650557963.db2.gz ALJSFTCYWAGTDL-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1F ZINC000841798072 650566917 /nfs/dbraw/zinc/56/69/17/650566917.db2.gz CZWQKHJTSINIJM-UHFFFAOYSA-N 1 0 322.428 2.223 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841833067 650574832 /nfs/dbraw/zinc/57/48/32/650574832.db2.gz YYWXCEHPABGRBY-INIZCTEOSA-N 1 0 316.449 2.380 20 10 DECDRO CN(C)c1ccc([C@H](CNc2ccncc2F)[NH+](C)C)cc1 ZINC000897521773 640537820 /nfs/dbraw/zinc/53/78/20/640537820.db2.gz IUERCWYVLUINOB-KRWDZBQOSA-N 1 0 302.397 2.423 20 10 DECDRO CNc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000897522372 640539689 /nfs/dbraw/zinc/53/96/89/640539689.db2.gz MXDSPALVIDDBDI-OAHLLOKOSA-N 1 0 314.437 2.299 20 10 DECDRO CNc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000897522371 640540009 /nfs/dbraw/zinc/54/00/09/640540009.db2.gz MXDSPALVIDDBDI-HNNXBMFYSA-N 1 0 314.437 2.299 20 10 DECDRO C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881579 650591170 /nfs/dbraw/zinc/59/11/70/650591170.db2.gz SQTLLVRBBOHXED-CYBMUJFWSA-N 1 0 302.422 2.033 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882663 650592100 /nfs/dbraw/zinc/59/21/00/650592100.db2.gz MHHFAYLRFGZMHY-KBPBESRZSA-N 1 0 304.438 2.112 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)C1(O)CCOCC1 ZINC000841889960 650594611 /nfs/dbraw/zinc/59/46/11/650594611.db2.gz JIPOAZJUNPMOEM-UHFFFAOYSA-N 1 0 305.418 2.279 20 10 DECDRO O=C(N[C@H]1CC[NH2+]C1)N(Cc1ccco1)Cc1ccccc1O ZINC000841940483 650607318 /nfs/dbraw/zinc/60/73/18/650607318.db2.gz CFWLTYRWODCUTJ-AWEZNQCLSA-N 1 0 315.373 2.059 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841960553 650613677 /nfs/dbraw/zinc/61/36/77/650613677.db2.gz SJMVOPYPWPBMTA-WMLDXEAASA-N 1 0 318.465 2.183 20 10 DECDRO C[N@@H+]1CCCC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000897563311 640804111 /nfs/dbraw/zinc/80/41/11/640804111.db2.gz KLEPGVCEOMEQCB-CYBMUJFWSA-N 1 0 303.406 2.149 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841950195 650609721 /nfs/dbraw/zinc/60/97/21/650609721.db2.gz FZPUKQPTJUMATL-AWEZNQCLSA-N 1 0 319.449 2.444 20 10 DECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000765931595 640829898 /nfs/dbraw/zinc/82/98/98/640829898.db2.gz GWZJQKQGJRFOQL-HNNXBMFYSA-N 1 0 315.797 2.228 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000765978182 640835199 /nfs/dbraw/zinc/83/51/99/640835199.db2.gz MDRKIUYFKXLKPE-AWEZNQCLSA-N 1 0 322.474 2.200 20 10 DECDRO COCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000766029886 640840880 /nfs/dbraw/zinc/84/08/80/640840880.db2.gz PDKILYWILNQUFL-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841958824 650612524 /nfs/dbraw/zinc/61/25/24/650612524.db2.gz TWYOLUWUILYVKI-NEPJUHHUSA-N 1 0 309.410 2.279 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)cc1 ZINC000766532015 640892779 /nfs/dbraw/zinc/89/27/79/640892779.db2.gz UKQZXGWGJDALPX-CYBMUJFWSA-N 1 0 312.417 2.487 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000841987641 650620252 /nfs/dbraw/zinc/62/02/52/650620252.db2.gz OZHPMEDPMKNDQB-IAQYHMDHSA-N 1 0 321.421 2.279 20 10 DECDRO Cc1cccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1O ZINC000898056064 641011583 /nfs/dbraw/zinc/01/15/83/641011583.db2.gz CCCZROOALYNNPY-KRWDZBQOSA-N 1 0 301.390 2.230 20 10 DECDRO Cn1cc([C@@]2(C[NH2+]Cc3ccc4c(c3)CCO4)CCCO2)cn1 ZINC000898057706 641012400 /nfs/dbraw/zinc/01/24/00/641012400.db2.gz HYKMYFAZAQFVNB-SFHVURJKSA-N 1 0 313.401 2.151 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000898111100 641024350 /nfs/dbraw/zinc/02/43/50/641024350.db2.gz BAHWEVXUHUEFEC-OAHLLOKOSA-N 1 0 307.390 2.137 20 10 DECDRO CCCNC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768234172 641061298 /nfs/dbraw/zinc/06/12/98/641061298.db2.gz VAUVBLOUWQJBFX-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO COc1c([O-])c(C[NH2+]CCc2cccnc2C)ccc1[N+](=O)[O-] ZINC000898252911 641064904 /nfs/dbraw/zinc/06/49/04/641064904.db2.gz JEGVZHGVJCWONT-UHFFFAOYSA-N 1 0 317.345 2.345 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(O)cc1C ZINC000768446296 641082325 /nfs/dbraw/zinc/08/23/25/641082325.db2.gz MFVQVBGZHTXNGD-ZDUSSCGKSA-N 1 0 307.390 2.294 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCOC3)C1)[C@H](O)CO2 ZINC000768464750 641084885 /nfs/dbraw/zinc/08/48/85/641084885.db2.gz UHRJSDZGHGAOFF-SJLPKXTDSA-N 1 0 319.401 2.211 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000768538399 641094448 /nfs/dbraw/zinc/09/44/48/641094448.db2.gz ZWPDHDYJPFDTLO-HNNXBMFYSA-N 1 0 313.781 2.166 20 10 DECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769934403 641311101 /nfs/dbraw/zinc/31/11/01/641311101.db2.gz CWFYTQZVLFAXBC-FAAWYNLUSA-N 1 0 308.397 2.079 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000769935723 641311278 /nfs/dbraw/zinc/31/12/78/641311278.db2.gz PZBKSLQCIHIUFK-ZDUSSCGKSA-N 1 0 308.378 2.111 20 10 DECDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000842224571 650672989 /nfs/dbraw/zinc/67/29/89/650672989.db2.gz FVVXINCJLSLZAZ-CXAGYDPISA-N 1 0 320.458 2.216 20 10 DECDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000842225889 650673020 /nfs/dbraw/zinc/67/30/20/650673020.db2.gz KWWVLDFMEMVSNO-QZTJIDSGSA-N 1 0 306.450 2.288 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccnn2C)c2c1c(F)ccc2O ZINC000927137262 641708583 /nfs/dbraw/zinc/70/85/83/641708583.db2.gz VELPFTBTXTYOKN-PUYPPJJSSA-N 1 0 305.353 2.136 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773372437 641765994 /nfs/dbraw/zinc/76/59/94/641765994.db2.gz UDFFTFARIUZNCR-CABCVRRESA-N 1 0 318.465 2.455 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000773748778 641819327 /nfs/dbraw/zinc/81/93/27/641819327.db2.gz AZBVPSZCHYVACW-GOSISDBHSA-N 1 0 317.477 2.297 20 10 DECDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773754101 641820182 /nfs/dbraw/zinc/82/01/82/641820182.db2.gz OQLYEJYZEYMJSA-KRWDZBQOSA-N 1 0 305.466 2.031 20 10 DECDRO CC(C)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[NH2+]1 ZINC000899019984 641901688 /nfs/dbraw/zinc/90/16/88/641901688.db2.gz ATZYOFQNJRDSMC-NSHDSACASA-N 1 0 320.414 2.383 20 10 DECDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482583 641908456 /nfs/dbraw/zinc/90/84/56/641908456.db2.gz LWFYRSREPNRODO-QWHCGFSZSA-N 1 0 320.437 2.026 20 10 DECDRO COCC[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCOC1 ZINC000775203690 642015798 /nfs/dbraw/zinc/01/57/98/642015798.db2.gz NCXJZBQZTHJZCC-HNNXBMFYSA-N 1 0 315.797 2.339 20 10 DECDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000775347757 642033940 /nfs/dbraw/zinc/03/39/40/642033940.db2.gz FZKIDKQIWMWFHS-GXTWGEPZSA-N 1 0 322.405 2.357 20 10 DECDRO CCN1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775648783 642071252 /nfs/dbraw/zinc/07/12/52/642071252.db2.gz WZLSXEFHWZWTRG-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000775701366 642081560 /nfs/dbraw/zinc/08/15/60/642081560.db2.gz 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642499242 /nfs/dbraw/zinc/49/92/42/642499242.db2.gz WJILJJMTFWYLHE-UHFFFAOYSA-N 1 0 324.444 2.375 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C ZINC000779517935 642507007 /nfs/dbraw/zinc/50/70/07/642507007.db2.gz AILPMKOERRCBDJ-HYWNAFCQSA-N 1 0 318.417 2.442 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000779522526 642508109 /nfs/dbraw/zinc/50/81/09/642508109.db2.gz UCFMIEQJNHTEPD-DUXPYHPUSA-N 1 0 322.324 2.330 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C ZINC000779539502 642509740 /nfs/dbraw/zinc/50/97/40/642509740.db2.gz GLPNFZNJYCFXPX-UWNIJABGSA-N 1 0 304.390 2.052 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC000901129171 642572259 /nfs/dbraw/zinc/57/22/59/642572259.db2.gz AGYIAGRPTPSAFQ-ZFWWWQNUSA-N 1 0 304.390 2.034 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000902621769 643087889 /nfs/dbraw/zinc/08/78/89/643087889.db2.gz FMWFTXIMQNOZEC-OAHLLOKOSA-N 1 0 300.358 2.278 20 10 DECDRO Cn1cnc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000902699901 643110793 /nfs/dbraw/zinc/11/07/93/643110793.db2.gz VRMANPUCHXRLSR-IJDCCNJMSA-N 1 0 322.412 2.445 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]CC1(O)CCC3(CC1)OCCO3)CC2 ZINC000903372786 643330841 /nfs/dbraw/zinc/33/08/41/643330841.db2.gz NVOWQEFKJLOUPL-AWEZNQCLSA-N 1 0 319.401 2.017 20 10 DECDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903404100 643345927 /nfs/dbraw/zinc/34/59/27/643345927.db2.gz ICJPESMRFKZLJM-FZKQIMNGSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccn(C)n1 ZINC000903447764 643354842 /nfs/dbraw/zinc/35/48/42/643354842.db2.gz CEPGSHBEVLMOSE-KSSFIOAISA-N 1 0 315.465 2.440 20 10 DECDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000903448821 643355572 /nfs/dbraw/zinc/35/55/72/643355572.db2.gz TZMRMTGUIJIPHU-RDTXWAMCSA-N 1 0 315.465 2.440 20 10 DECDRO CN(C)c1ccc([C@@H](CN[C@H]2CCn3ccnc32)[NH+](C)C)cc1 ZINC000903449146 643355874 /nfs/dbraw/zinc/35/58/74/643355874.db2.gz VSJAYPNXHOZCNR-DLBZAZTESA-N 1 0 313.449 2.286 20 10 DECDRO COc1cc(N(C)C[C@@H]([NH3+])CC(F)F)cc(OC)c1OC ZINC000903904057 643502884 /nfs/dbraw/zinc/50/28/84/643502884.db2.gz ZZNZQYRWLVVJHE-VIFPVBQESA-N 1 0 304.337 2.131 20 10 DECDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000787765684 643539081 /nfs/dbraw/zinc/53/90/81/643539081.db2.gz CKMDKRKVGXTYLR-JLVBRIDZSA-N 1 0 304.434 2.257 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2O ZINC000842899977 650847837 /nfs/dbraw/zinc/84/78/37/650847837.db2.gz CVIROGVPNHHPML-PWSUYJOCSA-N 1 0 304.369 2.431 20 10 DECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000842908818 650850023 /nfs/dbraw/zinc/85/00/23/650850023.db2.gz FHXWTNPHUJXHNA-XTWCZFFVSA-N 1 0 316.195 2.219 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)[C@H](O)CO2 ZINC000789529943 643744248 /nfs/dbraw/zinc/74/42/48/643744248.db2.gz MVFJHBFSUBKTDZ-MRXNPFEDSA-N 1 0 319.401 2.211 20 10 DECDRO OCC1(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000905090962 643781194 /nfs/dbraw/zinc/78/11/94/643781194.db2.gz WKAQUYKNSCMYPH-INIZCTEOSA-N 1 0 305.418 2.015 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC1(O)CCCCC1 ZINC000905089207 643781394 /nfs/dbraw/zinc/78/13/94/643781394.db2.gz NEMKYDBIWOTGPV-MRXNPFEDSA-N 1 0 305.418 2.157 20 10 DECDRO O[C@H](C[NH2+]CCCSc1nccs1)CC1(O)CCCC1 ZINC000905109548 643792784 /nfs/dbraw/zinc/79/27/84/643792784.db2.gz HPGOXLZKZVVCON-LBPRGKRZSA-N 1 0 316.492 2.271 20 10 DECDRO COc1c(O)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843045065 650875705 /nfs/dbraw/zinc/87/57/05/650875705.db2.gz HHGTUXKWSPHEMJ-ZYHUDNBSSA-N 1 0 309.366 2.011 20 10 DECDRO CC(C)(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000790431166 643852076 /nfs/dbraw/zinc/85/20/76/643852076.db2.gz SAQRQKGEOALMNK-GOEBONIOSA-N 1 0 307.390 2.065 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccccc1O ZINC000790541222 643865176 /nfs/dbraw/zinc/86/51/76/643865176.db2.gz IKXNOTXXIPDPLA-OAHLLOKOSA-N 1 0 305.422 2.312 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000790618946 643873996 /nfs/dbraw/zinc/87/39/96/643873996.db2.gz MBYWDUZROZVIOS-YGRLFVJLSA-N 1 0 301.814 2.293 20 10 DECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1F ZINC000843116884 650898949 /nfs/dbraw/zinc/89/89/49/650898949.db2.gz ORQZVGCMBHIQEW-SFHVURJKSA-N 1 0 314.408 2.433 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000793215713 644209842 /nfs/dbraw/zinc/20/98/42/644209842.db2.gz MNSGRFWPKUSFIO-LLVKDONJSA-N 1 0 310.394 2.404 20 10 DECDRO C[C@]12CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1C2(F)F ZINC000793524278 644267277 /nfs/dbraw/zinc/26/72/77/644267277.db2.gz HBHCPDARFFJBGN-CFVMTHIKSA-N 1 0 311.328 2.295 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(C)cc1O ZINC000794817977 644480398 /nfs/dbraw/zinc/48/03/98/644480398.db2.gz RWPRAMVJGLBBJW-JLJPHGGASA-N 1 0 320.433 2.377 20 10 DECDRO CC(C)CCNC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349507 650954631 /nfs/dbraw/zinc/95/46/31/650954631.db2.gz BQEPGLBWBDBEDQ-CQSZACIVSA-N 1 0 303.450 2.449 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCO2 ZINC000841086259 644996553 /nfs/dbraw/zinc/99/65/53/644996553.db2.gz GSQASHFSARADGO-GXTWGEPZSA-N 1 0 304.390 2.085 20 10 DECDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@H+](C)C1CC1 ZINC000105205994 650983286 /nfs/dbraw/zinc/98/32/86/650983286.db2.gz AXXSVYMFMFUFTB-GFCCVEGCSA-N 1 0 322.428 2.174 20 10 DECDRO CC[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC[NH2+]1 ZINC000843490404 650984053 /nfs/dbraw/zinc/98/40/53/650984053.db2.gz UHKQEZBQVIWPJX-SFHVURJKSA-N 1 0 302.418 2.419 20 10 DECDRO CCCC[N@H+](CC(=O)NC1CCOCC1)Cc1ccccc1O ZINC000801596889 645421236 /nfs/dbraw/zinc/42/12/36/645421236.db2.gz SOBLQOKUPHRBMK-UHFFFAOYSA-N 1 0 320.433 2.290 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(O)cc1C ZINC000808207118 646056578 /nfs/dbraw/zinc/05/65/78/646056578.db2.gz NDYKMSFNWYYBRS-CQSZACIVSA-N 1 0 318.417 2.154 20 10 DECDRO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(N2CCOCC2)cc1 ZINC000808383843 646077496 /nfs/dbraw/zinc/07/74/96/646077496.db2.gz SLTCMNNVPQGCTE-CQSZACIVSA-N 1 0 300.406 2.108 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c1 ZINC000809778521 646282341 /nfs/dbraw/zinc/28/23/41/646282341.db2.gz RGYYXOVCEJFBPO-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1O ZINC000810244049 646342996 /nfs/dbraw/zinc/34/29/96/646342996.db2.gz NSMLMCOFKBJSNL-NSHDSACASA-N 1 0 324.812 2.179 20 10 DECDRO COc1cccc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000811515141 646538425 /nfs/dbraw/zinc/53/84/25/646538425.db2.gz NFNWKIHSHMUZKQ-UHFFFAOYSA-N 1 0 322.405 2.452 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1F ZINC000167743644 646567712 /nfs/dbraw/zinc/56/77/12/646567712.db2.gz MKVUFAIYGPYDII-AWEZNQCLSA-N 1 0 307.413 2.430 20 10 DECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815075590 646964277 /nfs/dbraw/zinc/96/42/77/646964277.db2.gz HFYJGEJAYJGIRZ-QGZVFWFLSA-N 1 0 303.450 2.361 20 10 DECDRO O=C1COc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2N1 ZINC000816545220 647149437 /nfs/dbraw/zinc/14/94/37/647149437.db2.gz IPDPARXJJJRCCN-UHFFFAOYSA-N 1 0 310.353 2.242 20 10 DECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000816639150 647162124 /nfs/dbraw/zinc/16/21/24/647162124.db2.gz JMYMIDVDBXXDKF-GOEBONIOSA-N 1 0 310.825 2.341 20 10 DECDRO COc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000817131965 647229163 /nfs/dbraw/zinc/22/91/63/647229163.db2.gz XMZUGPVYVMHKBX-NSHDSACASA-N 1 0 309.366 2.142 20 10 DECDRO C[C@H](CNC(=O)NCc1c(O)cccc1F)C[NH+]1CCCCC1 ZINC000914277507 647244414 /nfs/dbraw/zinc/24/44/14/647244414.db2.gz HLPGDOHCXQHELT-CYBMUJFWSA-N 1 0 323.412 2.453 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000817364962 647277467 /nfs/dbraw/zinc/27/74/67/647277467.db2.gz IIEMKNYVRADZDG-AWEZNQCLSA-N 1 0 320.433 2.409 20 10 DECDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000817370902 647278834 /nfs/dbraw/zinc/27/88/34/647278834.db2.gz VBTURNFSEOZDIA-LBPRGKRZSA-N 1 0 320.433 2.266 20 10 DECDRO COc1cccc(CNC(=O)NC2CCC([NH+](C)C)CC2)c1O ZINC000817792462 647361967 /nfs/dbraw/zinc/36/19/67/647361967.db2.gz YHGWDTFKYONVPC-UHFFFAOYSA-N 1 0 321.421 2.073 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817791441 647362115 /nfs/dbraw/zinc/36/21/15/647362115.db2.gz DVIPKUCQLTUVRP-UHFFFAOYSA-N 1 0 305.422 2.406 20 10 DECDRO C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817887772 647372189 /nfs/dbraw/zinc/37/21/89/647372189.db2.gz DURJUUHHWOMCJE-PBHICJAKSA-N 1 0 321.440 2.283 20 10 DECDRO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817895835 647374874 /nfs/dbraw/zinc/37/48/74/647374874.db2.gz WUPHETBLBLMKDT-QAPCUYQASA-N 1 0 303.450 2.143 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000817941442 647388915 /nfs/dbraw/zinc/38/89/15/647388915.db2.gz JTEWUBQWKXUBLY-DLBZAZTESA-N 1 0 303.450 2.301 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000817957625 647392750 /nfs/dbraw/zinc/39/27/50/647392750.db2.gz NGJNYPOGHYLVAO-CHWSQXEVSA-N 1 0 306.406 2.219 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000817981362 647399412 /nfs/dbraw/zinc/39/94/12/647399412.db2.gz RLIUWYHJUJQEDV-OCCSQVGLSA-N 1 0 306.406 2.362 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817982415 647399431 /nfs/dbraw/zinc/39/94/31/647399431.db2.gz DPMOYJVUTZESQP-GDBMZVCRSA-N 1 0 321.440 2.455 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818964118 647550539 /nfs/dbraw/zinc/55/05/39/647550539.db2.gz LHCOCMWVDHZQKG-ZDUSSCGKSA-N 1 0 320.380 2.253 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819095863 647581990 /nfs/dbraw/zinc/58/19/90/647581990.db2.gz VMOLAVRCASKAKK-CQSZACIVSA-N 1 0 300.324 2.466 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CC(F)(F)F ZINC000819095231 647582182 /nfs/dbraw/zinc/58/21/82/647582182.db2.gz CBOZWEZOUBIESZ-AWEZNQCLSA-N 1 0 300.324 2.466 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000819374590 647646280 /nfs/dbraw/zinc/64/62/80/647646280.db2.gz GKYRZSADYWCERX-ZIAGYGMSSA-N 1 0 312.479 2.015 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000916874023 647936401 /nfs/dbraw/zinc/93/64/01/647936401.db2.gz MQCUOGWKXVLGJQ-CYBMUJFWSA-N 1 0 323.412 2.451 20 10 DECDRO C[N@@H+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000821452596 648065582 /nfs/dbraw/zinc/06/55/82/648065582.db2.gz FEUWYBOUKGHDTQ-UHFFFAOYSA-N 1 0 303.366 2.015 20 10 DECDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822339475 648191943 /nfs/dbraw/zinc/19/19/43/648191943.db2.gz FUDCKOYEFZRULR-UHFFFAOYSA-N 1 0 305.382 2.263 20 10 DECDRO FCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000824690408 648636478 /nfs/dbraw/zinc/63/64/78/648636478.db2.gz DSDFFYWUJDPKSY-UHFFFAOYSA-N 1 0 308.397 2.132 20 10 DECDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](C)O ZINC000824921778 648672781 /nfs/dbraw/zinc/67/27/81/648672781.db2.gz QWIINHIWYZFQAG-KCJUWKMLSA-N 1 0 318.211 2.412 20 10 DECDRO COc1cccnc1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000825249462 648731149 /nfs/dbraw/zinc/73/11/49/648731149.db2.gz IEUOMTYQPHMFDY-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(N(C)C)n2)cc1Cl ZINC000825406013 648756148 /nfs/dbraw/zinc/75/61/48/648756148.db2.gz NZUYESUXVAKVHV-UHFFFAOYSA-N 1 0 306.797 2.500 20 10 DECDRO CCCN(Cc1nnn(C(C)(C)C)n1)c1ccc(C[NH3+])cc1 ZINC000825710059 648803579 /nfs/dbraw/zinc/80/35/79/648803579.db2.gz GDCCJFPJINETKU-UHFFFAOYSA-N 1 0 302.426 2.303 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000826019268 648839116 /nfs/dbraw/zinc/83/91/16/648839116.db2.gz CCCLZMRKVRDROK-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1cc(O)c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000826130014 648853620 /nfs/dbraw/zinc/85/36/20/648853620.db2.gz CUUUPMIRCXZCKK-STQMWFEESA-N 1 0 312.841 2.241 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nccs2)c1 ZINC000182329211 648875334 /nfs/dbraw/zinc/87/53/34/648875334.db2.gz AWQQKMQDTDJHBO-VIFPVBQESA-N 1 0 307.375 2.147 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)c2nccs2)c1 ZINC000182434643 648906331 /nfs/dbraw/zinc/90/63/31/648906331.db2.gz MTAXAVVIKIZXPG-JTQLQIEISA-N 1 0 321.402 2.171 20 10 DECDRO C[C@H]1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)C1O ZINC000827151834 648982422 /nfs/dbraw/zinc/98/24/22/648982422.db2.gz KPWFFCRAVPMXPW-KBPBESRZSA-N 1 0 322.424 2.111 20 10 DECDRO Cc1cc(Cl)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827698903 649071396 /nfs/dbraw/zinc/07/13/96/649071396.db2.gz CRTMGQQKEGBGTP-MRXNPFEDSA-N 1 0 324.852 2.385 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000828667854 649207957 /nfs/dbraw/zinc/20/79/57/649207957.db2.gz VDHNHUSWQOKNAU-NSHDSACASA-N 1 0 312.369 2.495 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)C=CCC3)cc2)CC1 ZINC000829296591 649291642 /nfs/dbraw/zinc/29/16/42/649291642.db2.gz KJSZPQNFMZROEH-LJQANCHMSA-N 1 0 313.445 2.411 20 10 DECDRO COC(=O)[C@@H](C)N(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000829352560 649298812 /nfs/dbraw/zinc/29/88/12/649298812.db2.gz RWCWMLACSLTBFK-CQSZACIVSA-N 1 0 320.433 2.295 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000829422210 649305223 /nfs/dbraw/zinc/30/52/23/649305223.db2.gz BSXXHMQYCZEEQI-UHFFFAOYSA-N 1 0 324.446 2.171 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000831753634 649638552 /nfs/dbraw/zinc/63/85/52/649638552.db2.gz ONOSIBWQOQXRAB-WMLDXEAASA-N 1 0 319.449 2.011 20 10 DECDRO CCc1cccnc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266144 649690406 /nfs/dbraw/zinc/69/04/06/649690406.db2.gz CXYMWBQSMIMJOK-MRXNPFEDSA-N 1 0 312.417 2.140 20 10 DECDRO CC(C)c1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]n1 ZINC000832299524 649694252 /nfs/dbraw/zinc/69/42/52/649694252.db2.gz CFGGIPLSKOJNRN-CQSZACIVSA-N 1 0 315.421 2.029 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000844186611 651088146 /nfs/dbraw/zinc/08/81/46/651088146.db2.gz LHJXCXITNIPXNK-INIZCTEOSA-N 1 0 303.450 2.455 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C3(O)CC3)CC2)c1O ZINC000844364917 651118165 /nfs/dbraw/zinc/11/81/65/651118165.db2.gz ZMDLNBMXAZTPAZ-UHFFFAOYSA-N 1 0 307.365 2.471 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000844400017 651122893 /nfs/dbraw/zinc/12/28/93/651122893.db2.gz SNKYZLZGRCWKQN-HNNXBMFYSA-N 1 0 321.465 2.224 20 10 DECDRO CC(C)O[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000844719431 651160143 /nfs/dbraw/zinc/16/01/43/651160143.db2.gz ZATCHWWJTASEDI-BBRMVZONSA-N 1 0 307.390 2.207 20 10 DECDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844965367 651188415 /nfs/dbraw/zinc/18/84/15/651188415.db2.gz QRJFPLJKMPMTTJ-NSHDSACASA-N 1 0 311.813 2.187 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)nn2)cc1 ZINC000846053536 651304652 /nfs/dbraw/zinc/30/46/52/651304652.db2.gz ZGFIIMXCYISBGM-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000846109737 651308444 /nfs/dbraw/zinc/30/84/44/651308444.db2.gz VLDWUNRXIQZETI-MRXNPFEDSA-N 1 0 310.397 2.487 20 10 DECDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1 ZINC000846123248 651309426 /nfs/dbraw/zinc/30/94/26/651309426.db2.gz OSUJTFGMYSGYGI-JKSUJKDBSA-N 1 0 319.401 2.422 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846133972 651310131 /nfs/dbraw/zinc/31/01/31/651310131.db2.gz KTRVLYUXALNCIR-YJBOKZPZSA-N 1 0 316.449 2.023 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000846140999 651310537 /nfs/dbraw/zinc/31/05/37/651310537.db2.gz CHXQYYTYVMRWQO-GFCCVEGCSA-N 1 0 315.373 2.475 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1F ZINC000846145727 651310682 /nfs/dbraw/zinc/31/06/82/651310682.db2.gz PUPBCCAREFFEEY-UHFFFAOYSA-N 1 0 322.428 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172366 651312901 /nfs/dbraw/zinc/31/29/01/651312901.db2.gz LPRIDGXNZIHPAW-WCQYABFASA-N 1 0 306.406 2.451 20 10 DECDRO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccc(N)cc1 ZINC000846170529 651312923 /nfs/dbraw/zinc/31/29/23/651312923.db2.gz AOBSOBJAHNOJNR-UHFFFAOYSA-N 1 0 312.417 2.030 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2F)CC1 ZINC000106702502 651383287 /nfs/dbraw/zinc/38/32/87/651383287.db2.gz RSZVTBAZBVPBGC-DZGCQCFKSA-N 1 0 319.424 2.240 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)[NH2+]C ZINC000848405168 651456704 /nfs/dbraw/zinc/45/67/04/651456704.db2.gz BKBVNXKRJBMDQN-VIFPVBQESA-N 1 0 315.211 2.111 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498404 651463921 /nfs/dbraw/zinc/46/39/21/651463921.db2.gz SCBLLJWPKFGMST-WMLDXEAASA-N 1 0 319.401 2.352 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000848521055 651466287 /nfs/dbraw/zinc/46/62/87/651466287.db2.gz SCPJOJGCBPPUPB-SFHVURJKSA-N 1 0 303.450 2.096 20 10 DECDRO Cc1cc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c(C)n1-c1ccccn1 ZINC000854727162 651544456 /nfs/dbraw/zinc/54/44/56/651544456.db2.gz BSYLLXOKTMXVQT-HNNXBMFYSA-N 1 0 310.401 2.019 20 10 DECDRO CCc1cccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848906892 651554897 /nfs/dbraw/zinc/55/48/97/651554897.db2.gz DUXXZSGIHIIAOQ-GASCZTMLSA-N 1 0 306.450 2.496 20 10 DECDRO C[C@@H](O)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000848928443 651563922 /nfs/dbraw/zinc/56/39/22/651563922.db2.gz DKBJPKOXJCIMCU-CYBMUJFWSA-N 1 0 308.397 2.008 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1OC ZINC000848926282 651564693 /nfs/dbraw/zinc/56/46/93/651564693.db2.gz NYUUYHLRJWNZKO-YJBOKZPZSA-N 1 0 315.369 2.157 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930617 651565585 /nfs/dbraw/zinc/56/55/85/651565585.db2.gz UCGGAUKAKPJJLV-OAHLLOKOSA-N 1 0 320.433 2.088 20 10 DECDRO C[C@H]1CN(C(=[NH2+])NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000848993167 651573799 /nfs/dbraw/zinc/57/37/99/651573799.db2.gz CMGCWWZJCJPRHZ-AWEZNQCLSA-N 1 0 302.422 2.032 20 10 DECDRO CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](CC)C1 ZINC000855491100 651709742 /nfs/dbraw/zinc/70/97/42/651709742.db2.gz NQABBXFAUPMSRU-OWNNVSBGSA-N 1 0 304.390 2.054 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 ZINC000850346323 651904768 /nfs/dbraw/zinc/90/47/68/651904768.db2.gz FCVCCPVFGRGYEM-PMPSAXMXSA-N 1 0 315.461 2.489 20 10 DECDRO COC[C@@H](CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OC ZINC000850345558 651904773 /nfs/dbraw/zinc/90/47/73/651904773.db2.gz DWJJQJOBQSILOQ-GOSISDBHSA-N 1 0 322.449 2.305 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000850353330 651909225 /nfs/dbraw/zinc/90/92/25/651909225.db2.gz AIVHPEXVBFKNKN-YSVLISHTSA-N 1 0 323.433 2.447 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)CC1 ZINC000850406401 651922715 /nfs/dbraw/zinc/92/27/15/651922715.db2.gz FTCVLJGJYUOOBS-UHFFFAOYSA-N 1 0 315.392 2.472 20 10 DECDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850408296 651923132 /nfs/dbraw/zinc/92/31/32/651923132.db2.gz GXCLBXBZCQTDSF-INIZCTEOSA-N 1 0 304.434 2.428 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+]C/C=C/CO)c1O ZINC000850508445 651941724 /nfs/dbraw/zinc/94/17/24/651941724.db2.gz MQYGMEVCRVUROR-NWALNABHSA-N 1 0 316.195 2.362 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1O ZINC000850520565 651945130 /nfs/dbraw/zinc/94/51/30/651945130.db2.gz VSRBBWNXUGXERZ-VIFPVBQESA-N 1 0 311.325 2.020 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000850567393 651953934 /nfs/dbraw/zinc/95/39/34/651953934.db2.gz BIGBRSCJDVIBFG-RDTXWAMCSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000858102716 652255303 /nfs/dbraw/zinc/25/53/03/652255303.db2.gz GVJZPSKBMNKRQV-UHFFFAOYSA-N 1 0 305.422 2.373 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000858190739 652275422 /nfs/dbraw/zinc/27/54/22/652275422.db2.gz NDRVETOKVNLDDJ-GJZGRUSLSA-N 1 0 303.406 2.127 20 10 DECDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858230118 652284615 /nfs/dbraw/zinc/28/46/15/652284615.db2.gz OYQYCKSGAZHAKP-KDOFPFPSSA-N 1 0 320.408 2.319 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccccn2)cc1 ZINC000852210891 652364326 /nfs/dbraw/zinc/36/43/26/652364326.db2.gz BVUQUALTDLWQTK-GOSISDBHSA-N 1 0 315.417 2.192 20 10 DECDRO Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1N(C)C ZINC000852653573 652433451 /nfs/dbraw/zinc/43/34/51/652433451.db2.gz WQUXWTBNVQEXNN-INIZCTEOSA-N 1 0 318.465 2.249 20 10 DECDRO COc1cc(O)c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC000853543187 652565829 /nfs/dbraw/zinc/56/58/29/652565829.db2.gz PSJHQQMIMGFAIT-CALCHBBNSA-N 1 0 307.390 2.268 20 10 DECDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001356596409 1152093912 /nfs/dbraw/zinc/09/39/12/1152093912.db2.gz NAOHILTWLIEDTN-QLFBSQMISA-N 1 0 318.465 2.434 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000388998463 685431037 /nfs/dbraw/zinc/43/10/37/685431037.db2.gz QGGGDKXLPGASOD-NVXWUHKLSA-N 1 0 304.434 2.428 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603251 685567250 /nfs/dbraw/zinc/56/72/50/685567250.db2.gz VGZLKCDSLLWAHG-BXUZGUMPSA-N 1 0 304.390 2.205 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858768120 685593794 /nfs/dbraw/zinc/59/37/94/685593794.db2.gz IZWUTZDDJWHJPX-MRXNPFEDSA-N 1 0 318.465 2.284 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CCSC ZINC000040467361 683888960 /nfs/dbraw/zinc/88/89/60/683888960.db2.gz MGTDVNDCJYLBAQ-HNNXBMFYSA-N 1 0 309.479 2.182 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000076012930 683939275 /nfs/dbraw/zinc/93/92/75/683939275.db2.gz JATPYPBGZZMZQK-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO COc1ccccc1C[N@H+](CCO)Cc1cccc(OC)c1O ZINC000091790581 684038872 /nfs/dbraw/zinc/03/88/72/684038872.db2.gz WNQGMIDPCSKQEB-UHFFFAOYSA-N 1 0 317.385 2.404 20 10 DECDRO COc1cc(Br)cc(C[N@H+](C)CC(C)(C)O)c1O ZINC000093414431 684049568 /nfs/dbraw/zinc/04/95/68/684049568.db2.gz INOFLBFRCMXSDZ-UHFFFAOYSA-N 1 0 318.211 2.366 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)c1O ZINC000188972618 684368976 /nfs/dbraw/zinc/36/89/76/684368976.db2.gz PDCLPIASVFIVEO-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000192690269 684455656 /nfs/dbraw/zinc/45/56/56/684455656.db2.gz PMKAWWYVIVUAMU-NSHDSACASA-N 1 0 310.394 2.404 20 10 DECDRO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(O)cc1C ZINC000245547982 685114194 /nfs/dbraw/zinc/11/41/94/685114194.db2.gz XECIJBBILWUWCS-CJNGLKHVSA-N 1 0 309.431 2.416 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C1(O)CCC1 ZINC000929296736 693932092 /nfs/dbraw/zinc/93/20/92/693932092.db2.gz QZCSACVZBGVMLB-KRWDZBQOSA-N 1 0 306.450 2.239 20 10 DECDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304228400 685247087 /nfs/dbraw/zinc/24/70/87/685247087.db2.gz HMECKYMEAJKFOY-QGZVFWFLSA-N 1 0 310.413 2.303 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861620880 686160232 /nfs/dbraw/zinc/16/02/32/686160232.db2.gz PTQWTWRJCGNULV-VBNZEHGJSA-N 1 0 304.438 2.253 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC000862337956 686278743 /nfs/dbraw/zinc/27/87/43/686278743.db2.gz DQBHZXWLQCPPJF-PWSUYJOCSA-N 1 0 312.360 2.414 20 10 DECDRO CCOC(=O)c1cccc(C[NH2+]Cc2ccc(OC)cc2O)n1 ZINC000862353325 686280745 /nfs/dbraw/zinc/28/07/45/686280745.db2.gz KVILFGVTVAOEMB-UHFFFAOYSA-N 1 0 316.357 2.262 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC000862469069 686307010 /nfs/dbraw/zinc/30/70/10/686307010.db2.gz XUFWKYHDIHVFTB-LBPRGKRZSA-N 1 0 300.349 2.220 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862475563 686307373 /nfs/dbraw/zinc/30/73/73/686307373.db2.gz OQQZXNTUIIUNDI-OAHLLOKOSA-N 1 0 313.781 2.118 20 10 DECDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863545160 686519203 /nfs/dbraw/zinc/51/92/03/686519203.db2.gz JQBBTHAQHFYOGM-IIAWOOMASA-N 1 0 321.440 2.453 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(N2CCCCC2)cc1 ZINC000863545522 686519252 /nfs/dbraw/zinc/51/92/52/686519252.db2.gz ULLCTAURAIYNRO-WBVHZDCISA-N 1 0 303.450 2.316 20 10 DECDRO COCc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000863641530 686538346 /nfs/dbraw/zinc/53/83/46/686538346.db2.gz GNTSVDYXKXSYKA-QGZVFWFLSA-N 1 0 303.406 2.282 20 10 DECDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000864056872 686608191 /nfs/dbraw/zinc/60/81/91/686608191.db2.gz IMEBTGRTAHDMBW-CYBMUJFWSA-N 1 0 303.406 2.196 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N[C@@H]3C[C@@H]3C)C2)cc1 ZINC000864469099 686730908 /nfs/dbraw/zinc/73/09/08/686730908.db2.gz MFWHFQCSOSJTMB-WOSRLPQWSA-N 1 0 302.422 2.044 20 10 DECDRO C[C@](CO)([NH2+]Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000865705325 687308104 /nfs/dbraw/zinc/30/81/04/687308104.db2.gz NVJXKILBXKFUJI-MRXNPFEDSA-N 1 0 302.330 2.298 20 10 DECDRO Cc1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000865773645 687330546 /nfs/dbraw/zinc/33/05/46/687330546.db2.gz FPMBRZAPHYQOLJ-UHFFFAOYSA-N 1 0 300.406 2.025 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369674 687603940 /nfs/dbraw/zinc/60/39/40/687603940.db2.gz VAQLQDIEKXYEJG-CYBMUJFWSA-N 1 0 303.366 2.062 20 10 DECDRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccccc1O ZINC000868167509 687932701 /nfs/dbraw/zinc/93/27/01/687932701.db2.gz OGYLCHKYBXUBNU-LLVKDONJSA-N 1 0 312.373 2.316 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868364652 687992012 /nfs/dbraw/zinc/99/20/12/687992012.db2.gz ARPFTBMVKLFXKW-KBPBESRZSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC3(F)F)C2)cc1C ZINC001018813234 688237333 /nfs/dbraw/zinc/23/73/33/688237333.db2.gz DAQQBRFIHVRSTC-UONOGXRCSA-N 1 0 324.371 2.349 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(F)F)C2)cc1C ZINC001019934276 688422583 /nfs/dbraw/zinc/42/25/83/688422583.db2.gz ITKKKOBHDXZDJU-JOCQHMNTSA-N 1 0 312.360 2.396 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205751 688749518 /nfs/dbraw/zinc/74/95/18/688749518.db2.gz XQOCTJDQMUSEAG-QGZVFWFLSA-N 1 0 306.381 2.447 20 10 DECDRO COc1ccc(C[NH2+]C(C)(C)CCO)cc1Cn1cccn1 ZINC000873063565 689152220 /nfs/dbraw/zinc/15/22/20/689152220.db2.gz XTCAXBXSICWUOZ-UHFFFAOYSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H]2COCC2(C)C)cc1Cn1cccn1 ZINC000873130072 689165004 /nfs/dbraw/zinc/16/50/04/689165004.db2.gz XPDCVERQZIMERQ-KRWDZBQOSA-N 1 0 315.417 2.455 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1Cn1cccn1 ZINC000873134724 689167054 /nfs/dbraw/zinc/16/70/54/689167054.db2.gz TYRNSYHDWFHWDV-CJNGLKHVSA-N 1 0 301.390 2.207 20 10 DECDRO COc1ccc(N2CCN(C[C@H]([NH3+])CC(C)C)CC2)c(OC)c1 ZINC000873220851 689186917 /nfs/dbraw/zinc/18/69/17/689186917.db2.gz YYLPRGPTWUKRHW-OAHLLOKOSA-N 1 0 321.465 2.199 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873228644 689189262 /nfs/dbraw/zinc/18/92/62/689189262.db2.gz VDYUOWQJSRNSDL-TZMCWYRMSA-N 1 0 301.356 2.322 20 10 DECDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874297776 689385458 /nfs/dbraw/zinc/38/54/58/689385458.db2.gz HXVQUPGYNTTWKS-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO CC1CC[NH+](CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875071467 689566484 /nfs/dbraw/zinc/56/64/84/689566484.db2.gz JOJKJRNOCJVSKB-UHFFFAOYSA-N 1 0 303.406 2.149 20 10 DECDRO CC(C)C[N@H+](C)CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875693244 689676171 /nfs/dbraw/zinc/67/61/71/689676171.db2.gz XTBAOLMZGZVKJG-UHFFFAOYSA-N 1 0 305.422 2.395 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876714748 689913200 /nfs/dbraw/zinc/91/32/00/689913200.db2.gz CVSBIZAAQHNGFA-INIZCTEOSA-N 1 0 317.477 2.174 20 10 DECDRO CN(C)c1ccc(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1F ZINC000876739819 689923121 /nfs/dbraw/zinc/92/31/21/689923121.db2.gz IXZHTYCZAYHSHD-STMXVASLSA-N 1 0 305.397 2.064 20 10 DECDRO C[C@H]1COCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751936 689927069 /nfs/dbraw/zinc/92/70/69/689927069.db2.gz BMQKKLMIXVJWDG-OAHLLOKOSA-N 1 0 304.434 2.116 20 10 DECDRO CN1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000876779013 689934791 /nfs/dbraw/zinc/93/47/91/689934791.db2.gz UOWHDYMSFUKQTK-WXJAXGNASA-N 1 0 303.381 2.164 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000876906934 689970255 /nfs/dbraw/zinc/97/02/55/689970255.db2.gz LEQLPUPGQONCRP-UHFFFAOYSA-N 1 0 320.414 2.362 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 ZINC000876986667 689991381 /nfs/dbraw/zinc/99/13/81/689991381.db2.gz IFXPCLQUVBVDJB-AEFFLSMTSA-N 1 0 304.434 2.210 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000876996227 689993329 /nfs/dbraw/zinc/99/33/29/689993329.db2.gz PWXYUWXGPUKPSQ-UHFFFAOYSA-N 1 0 300.358 2.416 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1F ZINC000877026816 690001338 /nfs/dbraw/zinc/00/13/38/690001338.db2.gz GEHAYVMTJICTBB-CQSZACIVSA-N 1 0 307.413 2.430 20 10 DECDRO COC(=O)c1[nH]c(C[NH2+]Cc2cc(OC)ccc2O)cc1C ZINC000877036001 690004242 /nfs/dbraw/zinc/00/42/42/690004242.db2.gz LWILMYVAGKLHFG-UHFFFAOYSA-N 1 0 304.346 2.114 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000877069572 690012197 /nfs/dbraw/zinc/01/21/97/690012197.db2.gz LWFRHPQQDBPPLO-CQSZACIVSA-N 1 0 300.406 2.193 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1 ZINC000877110863 690020611 /nfs/dbraw/zinc/02/06/11/690020611.db2.gz FEJVTWJBPJZIRU-IRXDYDNUSA-N 1 0 304.434 2.434 20 10 DECDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877170245 690036249 /nfs/dbraw/zinc/03/62/49/690036249.db2.gz KTKBPHKUZQHKRC-WBVHZDCISA-N 1 0 318.461 2.241 20 10 DECDRO COc1ccc(N(C)CC(C)(C)[NH+]2CCOCC2)cc1OC ZINC000877342535 690081358 /nfs/dbraw/zinc/08/13/58/690081358.db2.gz ONOOMDHBAGCWOR-UHFFFAOYSA-N 1 0 308.422 2.251 20 10 DECDRO Cc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000877484109 690126878 /nfs/dbraw/zinc/12/68/78/690126878.db2.gz XTPAGVIALWZEGY-HNNXBMFYSA-N 1 0 304.434 2.386 20 10 DECDRO COCCc1ncc(C[NH2+]Cc2ccc(OC)cc2O)s1 ZINC000877493898 690130600 /nfs/dbraw/zinc/13/06/00/690130600.db2.gz QMNWXYJFOWFCTO-UHFFFAOYSA-N 1 0 308.403 2.336 20 10 DECDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000877543106 690146534 /nfs/dbraw/zinc/14/65/34/690146534.db2.gz XOJVUESWUKSROT-IBGZPJMESA-N 1 0 318.461 2.288 20 10 DECDRO Cc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000877557925 690151104 /nfs/dbraw/zinc/15/11/04/690151104.db2.gz ZAUOPSBCCIJSEU-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877594785 690161776 /nfs/dbraw/zinc/16/17/76/690161776.db2.gz KHUCPEBXSTWTST-DOTOQJQBSA-N 1 0 318.461 2.098 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)cc2)CC1 ZINC000877609777 690166750 /nfs/dbraw/zinc/16/67/50/690166750.db2.gz IKPFBJGQHADYAR-KURKYZTESA-N 1 0 302.418 2.057 20 10 DECDRO COc1cc(C[NH2+]Cc2cc(Br)ccc2O)on1 ZINC000877635137 690174877 /nfs/dbraw/zinc/17/48/77/690174877.db2.gz DSIZOXSKRJSYHD-UHFFFAOYSA-N 1 0 313.151 2.441 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000877678928 690187707 /nfs/dbraw/zinc/18/77/07/690187707.db2.gz VDXNCAANUGIALE-UHFFFAOYSA-N 1 0 310.397 2.287 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693871 690193948 /nfs/dbraw/zinc/19/39/48/690193948.db2.gz SWXBGKMJDMMAKT-KBUNVGBDSA-N 1 0 313.703 2.456 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2c(C)cccc2O)CCCOC1 ZINC000877699009 690195578 /nfs/dbraw/zinc/19/55/78/690195578.db2.gz UQRXIXHIQYBDSI-KRWDZBQOSA-N 1 0 307.390 2.150 20 10 DECDRO COC[C@@H](C)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708874 690199465 /nfs/dbraw/zinc/19/94/65/690199465.db2.gz YJHDTBBLOHSMES-AWEZNQCLSA-N 1 0 308.422 2.108 20 10 DECDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000877725741 690205665 /nfs/dbraw/zinc/20/56/65/690205665.db2.gz LZMHZCGGNDERHK-QMTHXVAHSA-N 1 0 313.781 2.022 20 10 DECDRO FCCC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000931292488 694358764 /nfs/dbraw/zinc/35/87/64/694358764.db2.gz BLFVSHWYPDCFBI-UHFFFAOYSA-N 1 0 321.440 2.000 20 10 DECDRO Oc1ccccc1C[N@H+](CCc1cnccn1)C[C@H]1CCCO1 ZINC000878240429 690355643 /nfs/dbraw/zinc/35/56/43/690355643.db2.gz HKZHAESSKVGKKU-QGZVFWFLSA-N 1 0 313.401 2.406 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CC2(CO)CCCC2)c1 ZINC000878360844 690388066 /nfs/dbraw/zinc/38/80/66/690388066.db2.gz UKZDAKKVEVTFAY-UONOGXRCSA-N 1 0 323.433 2.355 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H]1C ZINC000878728270 690487127 /nfs/dbraw/zinc/48/71/27/690487127.db2.gz LAHKXVYMOZPOPE-ZIAGYGMSSA-N 1 0 307.390 2.182 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)cc1 ZINC000878945959 690535154 /nfs/dbraw/zinc/53/51/54/690535154.db2.gz SYAIALAXPYFOPG-ZDUSSCGKSA-N 1 0 301.394 2.097 20 10 DECDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC(=O)NC(C)(C)C ZINC000879648503 690699293 /nfs/dbraw/zinc/69/92/93/690699293.db2.gz RJSXGOQLYIHWBY-GHMZBOCLSA-N 1 0 307.394 2.056 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880291783 690860520 /nfs/dbraw/zinc/86/05/20/690860520.db2.gz IYFCRELWTRTMSU-OAHLLOKOSA-N 1 0 307.413 2.002 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](CCCCCO)CC2)cc1 ZINC000931495767 694413040 /nfs/dbraw/zinc/41/30/40/694413040.db2.gz OAXTWQDTAFUFIS-UHFFFAOYSA-N 1 0 305.466 2.033 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1 ZINC000883296888 691475783 /nfs/dbraw/zinc/47/57/83/691475783.db2.gz ABZXKBJQHXUBNX-MAVJXHJTSA-N 1 0 322.474 2.323 20 10 DECDRO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000883394035 691495562 /nfs/dbraw/zinc/49/55/62/691495562.db2.gz RAOGEVMMTBAADA-BBRMVZONSA-N 1 0 301.434 2.414 20 10 DECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000883394036 691495590 /nfs/dbraw/zinc/49/55/90/691495590.db2.gz RAOGEVMMTBAADA-CJNGLKHVSA-N 1 0 301.434 2.414 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC3CC3)cc2)CC1 ZINC000883474527 691520560 /nfs/dbraw/zinc/52/05/60/691520560.db2.gz UXFCHDJHKNTTDS-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000884009615 691631932 /nfs/dbraw/zinc/63/19/32/691631932.db2.gz BIXITKHEVMNWBM-BHYGNILZSA-N 1 0 301.434 2.305 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1OC ZINC000884481602 691748052 /nfs/dbraw/zinc/74/80/52/691748052.db2.gz NPOIIGKYFHPXEC-DOMZBBRYSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1n[nH]c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000886164559 692016243 /nfs/dbraw/zinc/01/62/43/692016243.db2.gz NPGUKBNKZPSVKL-UHFFFAOYSA-N 1 0 314.433 2.277 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)ccc1OC ZINC000886229027 692030731 /nfs/dbraw/zinc/03/07/31/692030731.db2.gz JQUQJPXFUVYYDM-IAGOWNOFSA-N 1 0 323.433 2.251 20 10 DECDRO COC(=O)c1c(C[NH2+][C@@H](C)CCCO)c2cc(F)ccc2n1C ZINC000894352222 692981687 /nfs/dbraw/zinc/98/16/87/692981687.db2.gz MBMYLBMOBRCYDG-NSHDSACASA-N 1 0 322.380 2.355 20 10 DECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894784659 692988280 /nfs/dbraw/zinc/98/82/80/692988280.db2.gz MMIZPGCCRHLSCK-CQSZACIVSA-N 1 0 322.405 2.420 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)n4ncnc43)C2)cc1 ZINC000926680220 693491028 /nfs/dbraw/zinc/49/10/28/693491028.db2.gz KZXTWLWZEUHLQQ-HEHGZKQESA-N 1 0 313.405 2.161 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1 ZINC000927042047 693545284 /nfs/dbraw/zinc/54/52/84/693545284.db2.gz UNFWBEDUDLISSK-RLAWYHOSSA-N 1 0 309.431 2.459 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnn(C)c3C2)c2c1c(F)ccc2O ZINC000927148367 693560797 /nfs/dbraw/zinc/56/07/97/693560797.db2.gz WRALAUKPOCTOIM-BREBYQMCSA-N 1 0 316.380 2.355 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@](C)(O)C2)c2cc(F)ccc2n1C ZINC001333701214 1150081222 /nfs/dbraw/zinc/08/12/22/1150081222.db2.gz IEAXKMHQSTYZEO-QGZVFWFLSA-N 1 0 320.364 2.061 20 10 DECDRO Cc1cc(C(=O)N2CCC3(C[NH2+]C3)CC2)c(C)n1-c1ccccn1 ZINC001343944179 1150786076 /nfs/dbraw/zinc/78/60/76/1150786076.db2.gz DCGKRUHZRJDGMU-UHFFFAOYSA-N 1 0 324.428 2.315 20 10 DECDRO CCc1ccc2c(c1)CCN2C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001345676621 1150904590 /nfs/dbraw/zinc/90/45/90/1150904590.db2.gz YVUFJZRSTXKZLL-CQSZACIVSA-N 1 0 310.401 2.252 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC001346161668 1150946727 /nfs/dbraw/zinc/94/67/27/1150946727.db2.gz DEFOXNMGNUWUQA-QAPCUYQASA-N 1 0 316.449 2.166 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC(CO)CC2)c(O)c1 ZINC001347665861 1151088566 /nfs/dbraw/zinc/08/85/66/1151088566.db2.gz CBNNQGWCMRIEIO-OAHLLOKOSA-N 1 0 306.450 2.364 20 10 DECDRO CC[NH+](CC)CC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001348329859 1151145311 /nfs/dbraw/zinc/14/53/11/1151145311.db2.gz RLRHCJFLKNMKRG-XOVSCCBYSA-N 1 0 306.406 2.348 20 10 DECDRO CC(C)C[NH2+]CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001349470995 1151253219 /nfs/dbraw/zinc/25/32/19/1151253219.db2.gz AKKFXQZLHYFCQR-UHFFFAOYSA-N 1 0 321.490 2.102 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C)OC)C2CC2)cc1C ZINC001480006621 1151369217 /nfs/dbraw/zinc/36/92/17/1151369217.db2.gz ONFRHLWLAZPRSE-CJNGLKHVSA-N 1 0 320.433 2.023 20 10 DECDRO CC1=CC[N@H+](CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001448767401 1185403919 /nfs/dbraw/zinc/40/39/19/1185403919.db2.gz KETZULGOXWREJR-UHFFFAOYSA-N 1 0 315.377 2.231 20 10 DECDRO COc1cccc(O)c1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001332724173 1149884727 /nfs/dbraw/zinc/88/47/27/1149884727.db2.gz KKBSCYFJLGJHCQ-UHFFFAOYSA-N 1 0 320.433 2.134 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cnc4[nH]ccc4n3)cc2)CC1 ZINC001167434313 777034285 /nfs/dbraw/zinc/03/42/85/777034285.db2.gz ILKYLJYCZHCDQX-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncnn4cccc34)cc2)CC1 ZINC001167434897 777035356 /nfs/dbraw/zinc/03/53/56/777035356.db2.gz YNWRDBDPPOSDFH-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588403446 777076494 /nfs/dbraw/zinc/07/64/94/777076494.db2.gz IKDZOCICQDFPLF-XQRVVYSFSA-N 1 0 304.390 2.100 20 10 DECDRO CN1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](c2ccccc2)C1 ZINC001144499855 790933673 /nfs/dbraw/zinc/93/36/73/790933673.db2.gz MHEPVITUKWVUJN-MRXNPFEDSA-N 1 0 314.385 2.292 20 10 DECDRO CCc1noc([C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514758 790942613 /nfs/dbraw/zinc/94/26/13/790942613.db2.gz RCZHGWCTFWMVJS-SNVBAGLBSA-N 1 0 319.361 2.128 20 10 DECDRO CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001154949628 783827806 /nfs/dbraw/zinc/82/78/06/783827806.db2.gz WFNQNYCNJRTZSJ-AWEZNQCLSA-N 1 0 308.422 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccsn2)cc1C ZINC001160702559 791029838 /nfs/dbraw/zinc/02/98/38/791029838.db2.gz DQTVEZFFWKYZEA-UHFFFAOYSA-N 1 0 319.430 2.370 20 10 DECDRO C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)Cc1ccccc1O ZINC000768872082 785845541 /nfs/dbraw/zinc/84/55/41/785845541.db2.gz BRLZAUNBHLVABL-UHFFFAOYSA-N 1 0 320.414 2.396 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H](F)C2)cc1C ZINC001132943474 788234850 /nfs/dbraw/zinc/23/48/50/788234850.db2.gz JVDACNAVNYQCBN-GJZGRUSLSA-N 1 0 308.397 2.348 20 10 DECDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136259240 789673771 /nfs/dbraw/zinc/67/37/71/789673771.db2.gz RCLCXIRMQDBKDL-KBPBESRZSA-N 1 0 320.433 2.125 20 10 DECDRO Oc1cc(O)c(CC[NH2+][C@@H]2Cc3cccc(F)c3C2)cc1O ZINC001171775117 793202063 /nfs/dbraw/zinc/20/20/63/793202063.db2.gz HNHWPTIMDORATC-GFCCVEGCSA-N 1 0 303.333 2.242 20 10 DECDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206196344 793647057 /nfs/dbraw/zinc/64/70/57/793647057.db2.gz BJWOKZRFHXCDRY-NWDGAFQWSA-N 1 0 302.777 2.315 20 10 DECDRO CC[N@@H+]1CC[C@H](N2CCN(c3ccc(OC)cc3C)CC2)C1 ZINC001173375061 793710000 /nfs/dbraw/zinc/71/00/00/793710000.db2.gz QIEDYWVVNDEGET-INIZCTEOSA-N 1 0 303.450 2.220 20 10 DECDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1(CO)CC1 ZINC000696127125 794560746 /nfs/dbraw/zinc/56/07/46/794560746.db2.gz PFPFKIDQPOQDLV-SECBINFHSA-N 1 0 300.196 2.405 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]C/C=C\Cl)cc1 ZINC001177237503 794614822 /nfs/dbraw/zinc/61/48/22/794614822.db2.gz BVMXRXODLXZPQC-ZAGGOXTESA-N 1 0 323.784 2.311 20 10 DECDRO CC[C@H](F)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237866 794616442 /nfs/dbraw/zinc/61/64/42/794616442.db2.gz NYEWNMVHFWHAEU-LBPRGKRZSA-N 1 0 323.372 2.307 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(CO)CC2)c(O)c1C ZINC001116585273 794970603 /nfs/dbraw/zinc/97/06/03/794970603.db2.gz WCYCLYSJFLNOMR-OAHLLOKOSA-N 1 0 306.450 2.364 20 10 DECDRO O=C(NCc1c(O)cccc1O)c1ccc(C[NH+]2CCCC2)o1 ZINC001178916769 795030694 /nfs/dbraw/zinc/03/06/94/795030694.db2.gz AGFIACGTCSWDDS-UHFFFAOYSA-N 1 0 316.357 2.217 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(CNC(C)=O)CC2)c(O)c1 ZINC001180039160 795228936 /nfs/dbraw/zinc/22/89/36/795228936.db2.gz NCBRSWDGWDYDRE-UHFFFAOYSA-N 1 0 306.406 2.057 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001119448637 795302054 /nfs/dbraw/zinc/30/20/54/795302054.db2.gz LHNJFWPQARQLEB-GFCCVEGCSA-N 1 0 301.333 2.159 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001120488215 795471820 /nfs/dbraw/zinc/47/18/20/795471820.db2.gz ULAVREPWIJCLDH-HYVNUMGLSA-N 1 0 316.449 2.225 20 10 DECDRO Cc1c(C[NH+]2CCC(NC(N)=O)CC2)c2ccccc2n1C ZINC001138252958 796187904 /nfs/dbraw/zinc/18/79/04/796187904.db2.gz YBRUZLLFYFQJTJ-UHFFFAOYSA-N 1 0 300.406 2.119 20 10 DECDRO CCCC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138498175 796227350 /nfs/dbraw/zinc/22/73/50/796227350.db2.gz UCJSDUPDNKBWIW-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC001138495960 796227593 /nfs/dbraw/zinc/22/75/93/796227593.db2.gz KSGJLXWTJLCJKD-UHFFFAOYSA-N 1 0 320.433 2.298 20 10 DECDRO COc1cc(CN2CCCC(=O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253352 796349531 /nfs/dbraw/zinc/34/95/31/796349531.db2.gz RWOPHTOXMIIMAD-ZDUSSCGKSA-N 1 0 320.433 2.263 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1O ZINC001139404592 796371197 /nfs/dbraw/zinc/37/11/97/796371197.db2.gz PXIGVNTZTMSQES-APWZRJJASA-N 1 0 317.477 2.031 20 10 DECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001203635619 796377595 /nfs/dbraw/zinc/37/75/95/796377595.db2.gz BDTSUWIAFDQVLH-YPMHNXCESA-N 1 0 318.186 2.450 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CC12CC2 ZINC001139673466 796408209 /nfs/dbraw/zinc/40/82/09/796408209.db2.gz CUYGNFGIVJMUAB-HNNXBMFYSA-N 1 0 302.418 2.446 20 10 DECDRO CCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001140054634 796470700 /nfs/dbraw/zinc/47/07/00/796470700.db2.gz UQSUCPDRDWPQSH-QGZVFWFLSA-N 1 0 306.381 2.366 20 10 DECDRO O=C1N(c2ccccc2)CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001140055237 796470713 /nfs/dbraw/zinc/47/07/13/796470713.db2.gz OQJKAPZAQYJYEG-UHFFFAOYSA-N 1 0 312.344 2.380 20 10 DECDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140053714 796470843 /nfs/dbraw/zinc/47/08/43/796470843.db2.gz AMVSGBLREBNWGA-XYYAHUGASA-N 1 0 318.392 2.268 20 10 DECDRO COc1ncnc2c1CC[N@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140180876 796487561 /nfs/dbraw/zinc/48/75/61/796487561.db2.gz NSHLPVFJMJMUJK-UHFFFAOYSA-N 1 0 313.401 2.408 20 10 DECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660096 796550951 /nfs/dbraw/zinc/55/09/51/796550951.db2.gz FSPQZOUAYXSTRC-BBRMVZONSA-N 1 0 308.397 2.008 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCCO1 ZINC001140660199 796552334 /nfs/dbraw/zinc/55/23/34/796552334.db2.gz JICTXDBXGYMBLX-AWEZNQCLSA-N 1 0 308.397 2.273 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)[C@H]1CCCOC1 ZINC001140667056 796553506 /nfs/dbraw/zinc/55/35/06/796553506.db2.gz HFBCOMIYDAAOHM-INIZCTEOSA-N 1 0 308.397 2.273 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001140749872 796567181 /nfs/dbraw/zinc/56/71/81/796567181.db2.gz OTSDLQNERVCMIU-AWEZNQCLSA-N 1 0 315.373 2.240 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC001140749221 796567824 /nfs/dbraw/zinc/56/78/24/796567824.db2.gz RWSXIYLWOGYCAL-UHFFFAOYSA-N 1 0 320.433 2.093 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCN(CCOC)CC2)c(O)c1 ZINC001140853168 796584344 /nfs/dbraw/zinc/58/43/44/796584344.db2.gz ODXBULCQQFXDRB-UHFFFAOYSA-N 1 0 321.465 2.002 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1 ZINC001140954804 796606239 /nfs/dbraw/zinc/60/62/39/796606239.db2.gz ZVQLSXSRAACKTM-MRXNPFEDSA-N 1 0 317.433 2.470 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c(OC)c1 ZINC001141028384 796620004 /nfs/dbraw/zinc/62/00/04/796620004.db2.gz MRSNXLWFFJUXFN-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(O)c(CN(C)CCC[NH+]2CCCC2)c(OC)c1 ZINC001141028525 796620071 /nfs/dbraw/zinc/62/00/71/796620071.db2.gz SHGMLJIHMRDGFT-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO COc1cc(O)c(CN2CC[N@H+](C)CC23CCCC3)c(OC)c1 ZINC001141032420 796622325 /nfs/dbraw/zinc/62/23/25/796622325.db2.gz BFXLPEQKWZIFKO-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO Cc1noc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141145558 796639850 /nfs/dbraw/zinc/63/98/50/796639850.db2.gz VUFFLGIKHFBQSW-AWEZNQCLSA-N 1 0 314.389 2.196 20 10 DECDRO O=C([C@H]1CCCC[N@H+]1Cc1cc(O)ccc1O)N1CCCC1 ZINC001141159829 796641921 /nfs/dbraw/zinc/64/19/21/796641921.db2.gz LYLDLTLMNDIQAX-OAHLLOKOSA-N 1 0 304.390 2.075 20 10 DECDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141159071 796641934 /nfs/dbraw/zinc/64/19/34/796641934.db2.gz XTRVEQPFALMWLI-KRWDZBQOSA-N 1 0 304.390 2.075 20 10 DECDRO Oc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1 ZINC001141162694 796642691 /nfs/dbraw/zinc/64/26/91/796642691.db2.gz ABAPHHSLQBHSGL-JKSUJKDBSA-N 1 0 308.397 2.496 20 10 DECDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160568 796642840 /nfs/dbraw/zinc/64/28/40/796642840.db2.gz ZGLDLZPFIQAXQJ-SJORKVTESA-N 1 0 307.390 2.115 20 10 DECDRO O=C1CCCCN1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160969 796643207 /nfs/dbraw/zinc/64/32/07/796643207.db2.gz LFKKYBSYYYYURQ-UHFFFAOYSA-N 1 0 304.390 2.075 20 10 DECDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1=CC[N@H+](C)CC1 ZINC001154042256 797449207 /nfs/dbraw/zinc/44/92/07/797449207.db2.gz DVZVGELLIDIGIY-NSHDSACASA-N 1 0 315.377 2.229 20 10 DECDRO Cc1cc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC001156656731 798054505 /nfs/dbraw/zinc/05/45/05/798054505.db2.gz ZVTXFKCVNDTTLL-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)[NH+]1CCCCC1 ZINC001156881056 798099677 /nfs/dbraw/zinc/09/96/77/798099677.db2.gz NOCOYZWSABZXHD-INIZCTEOSA-N 1 0 306.406 2.225 20 10 DECDRO CN(C)c1ccc(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)cc1 ZINC001198406215 798329397 /nfs/dbraw/zinc/32/93/97/798329397.db2.gz HBNTVYJUFPIRPZ-KDURUIRLSA-N 1 0 318.461 2.100 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203932731 798468794 /nfs/dbraw/zinc/46/87/94/798468794.db2.gz BBQDJRMUDHGZJG-MRXNPFEDSA-N 1 0 318.417 2.097 20 10 DECDRO C[NH+](C)Cc1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001201399291 798747530 /nfs/dbraw/zinc/74/75/30/798747530.db2.gz CRDRYYXNZQBFRS-UHFFFAOYSA-N 1 0 319.430 2.428 20 10 DECDRO [NH3+]Cc1ccccc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924674 798763536 /nfs/dbraw/zinc/76/35/36/798763536.db2.gz OESZQERAZIDDHW-UHFFFAOYSA-N 1 0 312.369 2.145 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1Cl ZINC001205981970 799402032 /nfs/dbraw/zinc/40/20/32/799402032.db2.gz KFUIYAXMEUKCTJ-UKRRQHHQSA-N 1 0 312.841 2.237 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](OC)C(C)C)cc1C ZINC001165867288 799784730 /nfs/dbraw/zinc/78/47/30/799784730.db2.gz CYRCDSYKVJHFSE-KRWDZBQOSA-N 1 0 322.449 2.271 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1 ZINC000932774300 799930802 /nfs/dbraw/zinc/93/08/02/799930802.db2.gz VIVVQXOBNIUHJW-KRWDZBQOSA-N 1 0 317.433 2.463 20 10 DECDRO O=C1[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CN1c1ccccc1 ZINC001203552130 800079918 /nfs/dbraw/zinc/07/99/18/800079918.db2.gz BRNADRKHLKFHJH-RDJZCZTQSA-N 1 0 308.381 2.487 20 10 DECDRO CCN(C(C)=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203602002 800087390 /nfs/dbraw/zinc/08/73/90/800087390.db2.gz WCKURUCHIOFLEW-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c1O ZINC001203608521 800089132 /nfs/dbraw/zinc/08/91/32/800089132.db2.gz SEQKYSOLXPFOMH-SFHVURJKSA-N 1 0 318.417 2.378 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC001203636313 800096218 /nfs/dbraw/zinc/09/62/18/800096218.db2.gz UBRCVWJSZXTOBR-NOZJJQNGSA-N 1 0 300.196 2.357 20 10 DECDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC001203665615 800101764 /nfs/dbraw/zinc/10/17/64/800101764.db2.gz PMJWXNMJERNKIK-AWEZNQCLSA-N 1 0 320.433 2.481 20 10 DECDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203877749 800138549 /nfs/dbraw/zinc/13/85/49/800138549.db2.gz IRUKFRMQLSWYLV-UHFFFAOYSA-N 1 0 304.390 2.075 20 10 DECDRO Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883739 800139562 /nfs/dbraw/zinc/13/95/62/800139562.db2.gz NGCODHAAPZYNBX-AWEZNQCLSA-N 1 0 300.358 2.455 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cn(C)nc21 ZINC001203932204 800147533 /nfs/dbraw/zinc/14/75/33/800147533.db2.gz WDXGHOWKJHJEHY-INIZCTEOSA-N 1 0 314.433 2.232 20 10 DECDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203934115 800148101 /nfs/dbraw/zinc/14/81/01/800148101.db2.gz VFKSXIMURKGIHQ-INIZCTEOSA-N 1 0 314.433 2.228 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)cc1 ZINC001203940714 800148689 /nfs/dbraw/zinc/14/86/89/800148689.db2.gz WRZPGESYKDOKIR-GOSISDBHSA-N 1 0 301.434 2.245 20 10 DECDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(N2CCCC2)cc1 ZINC001204322200 800204530 /nfs/dbraw/zinc/20/45/30/800204530.db2.gz PGJUKXFDBJBEHX-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO COc1cc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)cc(O)c1O ZINC001204349477 800207446 /nfs/dbraw/zinc/20/74/46/800207446.db2.gz UOWRIPGKBQVMJC-UHFFFAOYSA-N 1 0 318.417 2.024 20 10 DECDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N2CCOCC2)cc1Cl ZINC001205082252 800294996 /nfs/dbraw/zinc/29/49/96/800294996.db2.gz DIBMXQRBICEKSS-BBRMVZONSA-N 1 0 323.868 2.488 20 10 DECDRO CCOc1cccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205760808 800415520 /nfs/dbraw/zinc/41/55/20/800415520.db2.gz CWQQPVGFGRUTIL-LBPRGKRZSA-N 1 0 300.349 2.207 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Cl)c1 ZINC001206200729 800488186 /nfs/dbraw/zinc/48/81/86/800488186.db2.gz SSJRGIPQRPYPCG-QWHCGFSZSA-N 1 0 302.777 2.315 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C[C@@H]21 ZINC001207553329 800776596 /nfs/dbraw/zinc/77/65/96/800776596.db2.gz JHCGWJUQCJSCSD-UKPHBRMFSA-N 1 0 319.401 2.340 20 10 DECDRO COc1ccc(Br)c(C[N@H+]2CC[C@@H](OC)C2)c1O ZINC001231550172 801681881 /nfs/dbraw/zinc/68/18/81/801681881.db2.gz KBHMFADTDAZRGY-SECBINFHSA-N 1 0 316.195 2.384 20 10 DECDRO Cc1cccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1O ZINC001231592044 801690380 /nfs/dbraw/zinc/69/03/80/801690380.db2.gz KDBHDNSCTXQPMK-HOTGVXAUSA-N 1 0 310.401 2.059 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCCO1 ZINC001231589440 801690955 /nfs/dbraw/zinc/69/09/55/801690955.db2.gz JIDIPSVAEFHSAN-KRWDZBQOSA-N 1 0 315.369 2.309 20 10 DECDRO Cc1cccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1O ZINC001231593026 801692569 /nfs/dbraw/zinc/69/25/69/801692569.db2.gz RYPTUNSEDHQKHD-UHFFFAOYSA-N 1 0 300.402 2.287 20 10 DECDRO CCC1=NC2(CC[NH+](Cc3cccc(C)c3O)CC2)C(=O)N1C ZINC001231594735 801692581 /nfs/dbraw/zinc/69/25/81/801692581.db2.gz JUADAIZCLZVNPL-UHFFFAOYSA-N 1 0 315.417 2.316 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001231849540 801736510 /nfs/dbraw/zinc/73/65/10/801736510.db2.gz VPFPCPHNDOPMEH-QGZVFWFLSA-N 1 0 310.413 2.448 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001231853865 801736758 /nfs/dbraw/zinc/73/67/58/801736758.db2.gz SOFIOSNNUCBQIN-OAHLLOKOSA-N 1 0 319.449 2.061 20 10 DECDRO Oc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)cc1Cl ZINC001232267758 801834308 /nfs/dbraw/zinc/83/43/08/801834308.db2.gz LMCUTIHFXOQLEY-UHFFFAOYSA-N 1 0 314.788 2.369 20 10 DECDRO CCOC(=O)CC[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232269910 801834644 /nfs/dbraw/zinc/83/46/44/801834644.db2.gz NAPNTOUQEOQOLE-UHFFFAOYSA-N 1 0 301.770 2.439 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c2ccccc2n1C ZINC001232401650 801869931 /nfs/dbraw/zinc/86/99/31/801869931.db2.gz ALABCTLRTAKPEX-HZPDHXFCSA-N 1 0 314.385 2.328 20 10 DECDRO COC(=O)c1c(C[N@H+](C)CC2COC2)c2ccccc2n1C ZINC001232405618 801872608 /nfs/dbraw/zinc/87/26/08/801872608.db2.gz NVBQWVGWEPELRM-UHFFFAOYSA-N 1 0 302.374 2.043 20 10 DECDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841716 801970697 /nfs/dbraw/zinc/97/06/97/801970697.db2.gz PLVHUJMHRLIEFW-UHFFFAOYSA-N 1 0 319.449 2.291 20 10 DECDRO CC(=O)N1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1C ZINC001233455104 802121510 /nfs/dbraw/zinc/12/15/10/802121510.db2.gz WRGWHVRRRUDYKM-JTQLQIEISA-N 1 0 316.323 2.464 20 10 DECDRO CC1CCC([NH+]2CCN(Cc3cc(O)c(O)cc3O)CC2)CC1 ZINC001233485313 802126914 /nfs/dbraw/zinc/12/69/14/802126914.db2.gz QNHDKCNCSQGLAF-UHFFFAOYSA-N 1 0 320.433 2.500 20 10 DECDRO Oc1cc(O)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc1O ZINC001233485210 802127869 /nfs/dbraw/zinc/12/78/69/802127869.db2.gz MYHFAFJWPZJVFW-CQSZACIVSA-N 1 0 306.406 2.254 20 10 DECDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1C ZINC001233487766 802129357 /nfs/dbraw/zinc/12/93/57/802129357.db2.gz RFGFAGHUSGPQTP-RYUDHWBXSA-N 1 0 323.389 2.215 20 10 DECDRO CCCCOC(=O)[C@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218215023 802155662 /nfs/dbraw/zinc/15/56/62/802155662.db2.gz RRCQIVQBJWQWGU-AWEZNQCLSA-N 1 0 306.406 2.207 20 10 DECDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C=CC[NH2+]C3)cccc21 ZINC001218330180 802169057 /nfs/dbraw/zinc/16/90/57/802169057.db2.gz CHMXYYGXEIYHLH-LLVKDONJSA-N 1 0 321.332 2.074 20 10 DECDRO C[C@@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccccc1O ZINC001331420812 1149439382 /nfs/dbraw/zinc/43/93/82/1149439382.db2.gz BWQNNZYBZCYLGA-CYBMUJFWSA-N 1 0 313.401 2.454 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H](C)O ZINC001345607403 1150898792 /nfs/dbraw/zinc/89/87/92/1150898792.db2.gz XLSLCKALNIXTEJ-SYQHCUMBSA-N 1 0 310.413 2.298 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N)cc1 ZINC001346225534 1150953217 /nfs/dbraw/zinc/95/32/17/1150953217.db2.gz QMRDBOWBPLSQOD-KBPBESRZSA-N 1 0 304.438 2.188 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3ccc(N)cc3)[C@@H]2C1 ZINC001575173404 1069385658 /nfs/dbraw/zinc/38/56/58/1069385658.db2.gz WXWLKQFPKKWXLG-PHZGNYQRSA-N 1 0 317.433 2.471 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3c(O)cccc3F)C[N@@H+]2C1 ZINC001529018834 1070816537 /nfs/dbraw/zinc/81/65/37/1070816537.db2.gz VONSFDOPIUNCPQ-JHJVBQTASA-N 1 0 306.381 2.268 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCS(=O)(=O)CC1CC1 ZINC001461284705 1058628396 /nfs/dbraw/zinc/62/83/96/1058628396.db2.gz DKMULMBLQRMWBI-UHFFFAOYSA-N 1 0 320.458 2.401 20 10 DECDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC001461373147 1058646139 /nfs/dbraw/zinc/64/61/39/1058646139.db2.gz OMIGMVKUZYJHSO-UHFFFAOYSA-N 1 0 322.449 2.484 20 10 DECDRO COc1cc(C)c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001461926657 1058737621 /nfs/dbraw/zinc/73/76/21/1058737621.db2.gz MADVBWGHBNDYRJ-AWEZNQCLSA-N 1 0 306.406 2.009 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)COC(C)C)cc1C ZINC001505570864 1060724796 /nfs/dbraw/zinc/72/47/96/1060724796.db2.gz NIQVVEFHRBZNMU-CABCVRRESA-N 1 0 322.449 2.411 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1 ZINC001474685796 1060917748 /nfs/dbraw/zinc/91/77/48/1060917748.db2.gz CBCSMXOLOCAZIS-AWEZNQCLSA-N 1 0 305.374 2.243 20 10 DECDRO C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505764507 1060943522 /nfs/dbraw/zinc/94/35/22/1060943522.db2.gz GQZIKPFKUSRGMS-MNOVXSKESA-N 1 0 323.372 2.305 20 10 DECDRO CC[C@@H](CNC(=O)c1ccn[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951004 1064555153 /nfs/dbraw/zinc/55/51/53/1064555153.db2.gz LOQXOWSFEZVGMX-AWEZNQCLSA-N 1 0 316.405 2.025 20 10 DECDRO CC[C@H](OC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001496019081 1065229817 /nfs/dbraw/zinc/22/98/17/1065229817.db2.gz XTRKZSQWKFNYFK-HOCLYGCPSA-N 1 0 322.449 2.365 20 10 DECDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000034687018 1078195172 /nfs/dbraw/zinc/19/51/72/1078195172.db2.gz HYQSVLBKVJLLMU-SFHVURJKSA-N 1 0 305.466 2.295 20 10 DECDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc2cccnc2c1O ZINC001575560465 1066352421 /nfs/dbraw/zinc/35/24/21/1066352421.db2.gz FDAJPHWQDMUFKQ-AWEZNQCLSA-N 1 0 301.390 2.320 20 10 DECDRO C[N@H+](CCNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001631230332 1078360278 /nfs/dbraw/zinc/36/02/78/1078360278.db2.gz VIHGQYOAYBXMJU-UHFFFAOYSA-N 1 0 306.406 2.021 20 10 DECDRO C[C@@H]([NH3+])C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC001576183242 1066513342 /nfs/dbraw/zinc/51/33/42/1066513342.db2.gz ZOPOGYMYGJJYNT-ZIAGYGMSSA-N 1 0 319.449 2.074 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001577699372 1066908893 /nfs/dbraw/zinc/90/88/93/1066908893.db2.gz AOMRLRRWIPLPPH-GVDBMIGSSA-N 1 0 301.434 2.005 20 10 DECDRO [NH3+]CC[C@H](NCc1c(O)cccc1Br)C(F)F ZINC001580284670 1067550982 /nfs/dbraw/zinc/55/09/82/1067550982.db2.gz NXXJTZCIILRASS-VIFPVBQESA-N 1 0 309.154 2.227 20 10 DECDRO Cc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c(O)c1O ZINC001642418395 1078754142 /nfs/dbraw/zinc/75/41/42/1078754142.db2.gz YYRPEFZGKYSNGH-OLZOCXBDSA-N 1 0 304.390 2.009 20 10 DECDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c(O)c1O ZINC001642418397 1078754275 /nfs/dbraw/zinc/75/42/75/1078754275.db2.gz YYRPEFZGKYSNGH-STQMWFEESA-N 1 0 304.390 2.009 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)c(C)n1-c1ccccn1 ZINC001514662893 1068751594 /nfs/dbraw/zinc/75/15/94/1068751594.db2.gz IZPQEIGZXTWBER-HZPDHXFCSA-N 1 0 324.428 2.489 20 10 DECDRO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385984 1078844975 /nfs/dbraw/zinc/84/49/75/1078844975.db2.gz HIRRNOKHXWJSEV-HZPDHXFCSA-N 1 0 318.417 2.319 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001649897366 1079292794 /nfs/dbraw/zinc/29/27/94/1079292794.db2.gz MWIMOADJTPBCJZ-JKSUJKDBSA-N 1 0 302.418 2.358 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001647028050 1074771153 /nfs/dbraw/zinc/77/11/53/1074771153.db2.gz XTCAMRRCQGGWDB-GOSISDBHSA-N 1 0 304.434 2.164 20 10 DECDRO COc1cc(O)c(C[NH2+]CC2(Br)CC2)cc1OC ZINC001561032862 1075150002 /nfs/dbraw/zinc/15/00/02/1075150002.db2.gz UPDDUYLESWTQDB-UHFFFAOYSA-N 1 0 316.195 2.427 20 10 DECDRO Oc1ccccc1C[NH2+][C@@H]1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593539725 1077019631 /nfs/dbraw/zinc/01/96/31/1077019631.db2.gz FJJWAJQCFMCPOA-OAHLLOKOSA-N 1 0 307.357 2.349 20 10 DECDRO COCCn1cc(C[NH2+]CCCSc2nccs2)cn1 ZINC001656574623 1080104167 /nfs/dbraw/zinc/10/41/67/1080104167.db2.gz LOGLIYAKHUITJY-UHFFFAOYSA-N 1 0 312.464 2.258 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1C ZINC001656908537 1080137437 /nfs/dbraw/zinc/13/74/37/1080137437.db2.gz IHMZMSKULDRBHE-SNVBAGLBSA-N 1 0 304.312 2.160 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COCC1CC1 ZINC001657057324 1080151045 /nfs/dbraw/zinc/15/10/45/1080151045.db2.gz ZXSWIHFWBKPDIG-OAHLLOKOSA-N 1 0 302.418 2.364 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H](C)N1CCOCC1 ZINC001657161335 1080161372 /nfs/dbraw/zinc/16/13/72/1080161372.db2.gz VGHMTKYDPVTXBW-IAGOWNOFSA-N 1 0 317.477 2.486 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c(O)c1 ZINC001658257128 1080203471 /nfs/dbraw/zinc/20/34/71/1080203471.db2.gz FKHTZWYAAFMAQE-OAHLLOKOSA-N 1 0 320.433 2.447 20 10 DECDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001658591995 1080211307 /nfs/dbraw/zinc/21/13/07/1080211307.db2.gz QVVPSCMJULHCMS-GFCCVEGCSA-N 1 0 308.809 2.490 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001660032829 1080261203 /nfs/dbraw/zinc/26/12/03/1080261203.db2.gz YCVZRBHQSOJAHS-UHFFFAOYSA-N 1 0 305.422 2.409 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3nn(C)cc3C)CC2)cc1 ZINC001661245853 1080463522 /nfs/dbraw/zinc/46/35/22/1080463522.db2.gz WUIBJHZCPNPABS-UHFFFAOYSA-N 1 0 314.433 2.496 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC001661680061 1080506544 /nfs/dbraw/zinc/50/65/44/1080506544.db2.gz BCHMFDUYGJVWCD-AWEZNQCLSA-N 1 0 314.433 2.380 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H]2CCOC2)cc1C ZINC001662328751 1080597593 /nfs/dbraw/zinc/59/75/93/1080597593.db2.gz GDMIJACLSBHARC-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3ccc(O)c(O)c3)C2)C1 ZINC001270038513 1081434792 /nfs/dbraw/zinc/43/47/92/1081434792.db2.gz YGOSXBFWIOPJNR-QGZVFWFLSA-N 1 0 304.390 2.046 20 10 DECDRO CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482263094 1081443838 /nfs/dbraw/zinc/44/38/38/1081443838.db2.gz VGBRFXCUVAGFCF-GJZGRUSLSA-N 1 0 322.449 2.365 20 10 DECDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCO2)cc1C ZINC001670008560 1081489279 /nfs/dbraw/zinc/48/92/79/1081489279.db2.gz JHCAUVDKUOKOID-KRWDZBQOSA-N 1 0 320.433 2.121 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(N2CCOCC2)cc1Cl ZINC001276789604 1083613493 /nfs/dbraw/zinc/61/34/93/1083613493.db2.gz MAGMDKMMBXMIAW-IYBDPMFKSA-N 1 0 321.852 2.065 20 10 DECDRO O=C([C@@H]1CC12C[NH+](Cc1ccccc1O)C2)N1CCCC12CC2 ZINC001277445461 1083973839 /nfs/dbraw/zinc/97/38/39/1083973839.db2.gz GSPFATNMPDGBFG-HNNXBMFYSA-N 1 0 312.413 2.369 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)cc1OC ZINC001235130867 1084321886 /nfs/dbraw/zinc/32/18/86/1084321886.db2.gz XTIWDBRVWLOMET-KRWDZBQOSA-N 1 0 306.406 2.127 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001235170552 1084334102 /nfs/dbraw/zinc/33/41/02/1084334102.db2.gz BIDZMUZBUFJQPV-SMDDNHRTSA-N 1 0 316.323 2.256 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@@H]2CO)cc1Cl ZINC001235440632 1084431349 /nfs/dbraw/zinc/43/13/49/1084431349.db2.gz CPMNRPFWNFWRSQ-GFCCVEGCSA-N 1 0 312.841 2.109 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001235445596 1084432498 /nfs/dbraw/zinc/43/24/98/1084432498.db2.gz LCKUIIMDZRGMNU-UONOGXRCSA-N 1 0 315.461 2.273 20 10 DECDRO CC(C)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[NH2+]1 ZINC001235473131 1084442452 /nfs/dbraw/zinc/44/24/52/1084442452.db2.gz WORIUUAXKZVZNN-SFHVURJKSA-N 1 0 321.440 2.092 20 10 DECDRO Cc1ncn(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001235544440 1084461530 /nfs/dbraw/zinc/46/15/30/1084461530.db2.gz QUQMMETUANKNCR-UHFFFAOYSA-N 1 0 314.433 2.197 20 10 DECDRO C[N@H+](CCN1CCOCC1)Cc1ccc(C(C)(C)C)cc1O ZINC001235676937 1084495805 /nfs/dbraw/zinc/49/58/05/1084495805.db2.gz XVTIUMMLTHLDKB-UHFFFAOYSA-N 1 0 306.450 2.454 20 10 DECDRO COC(=O)c1c(CN2CC[NH2+]CC2(C)C)c2ccccc2n1C ZINC001235825859 1084539334 /nfs/dbraw/zinc/53/93/34/1084539334.db2.gz RBWOJXQRQRKORD-UHFFFAOYSA-N 1 0 315.417 2.149 20 10 DECDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001272982444 1085778346 /nfs/dbraw/zinc/77/83/46/1085778346.db2.gz ISENVJUFXDSWIF-APHBMKBZSA-N 1 0 318.417 2.462 20 10 DECDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1=O ZINC001272987561 1085801246 /nfs/dbraw/zinc/80/12/46/1085801246.db2.gz DGRRYPBIGKYKJU-IBGZPJMESA-N 1 0 313.445 2.484 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(Cl)c1 ZINC001274657523 1091356545 /nfs/dbraw/zinc/35/65/45/1091356545.db2.gz ZTIJARRMCTUALQ-INIZCTEOSA-N 1 0 324.808 2.108 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc[nH]c2)cc1C ZINC001275163700 1091593452 /nfs/dbraw/zinc/59/34/52/1091593452.db2.gz PBSUTLHJPXRVNF-ZDUSSCGKSA-N 1 0 301.390 2.240 20 10 DECDRO CC(C)(C)c1cccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c1O ZINC001236166456 1138336337 /nfs/dbraw/zinc/33/63/37/1138336337.db2.gz RKVCXBBSXDEZQU-INIZCTEOSA-N 1 0 318.461 2.379 20 10 DECDRO CN1CCOc2cc(CN(CC[NH3+])Cc3ccccc3)ccc21 ZINC001236523825 1138370625 /nfs/dbraw/zinc/37/06/25/1138370625.db2.gz LLIDQNMQHDVYDJ-UHFFFAOYSA-N 1 0 311.429 2.476 20 10 DECDRO C[C@H]1CN(Cc2cc(O)c(Br)cc2O)CC[C@@H]1O ZINC001236767670 1138420198 /nfs/dbraw/zinc/42/01/98/1138420198.db2.gz LERLXIHEWTWABX-KWQFWETISA-N 1 0 316.195 2.063 20 10 DECDRO OCC1CCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769198 1138423160 /nfs/dbraw/zinc/42/31/60/1138423160.db2.gz UYBZOLDSVWLPMU-UHFFFAOYSA-N 1 0 316.195 2.065 20 10 DECDRO CC[N@H+](CCn1cccn1)Cc1cc(OC)c(OC)cc1O ZINC001236752314 1138410474 /nfs/dbraw/zinc/41/04/74/1138410474.db2.gz ODBQOKPSPVQJAW-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO CC[N@H+](C)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236755152 1138410713 /nfs/dbraw/zinc/41/07/13/1138410713.db2.gz ZOHLZZJDGXIHDS-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(O)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(Cl)c1 ZINC001236799676 1138431407 /nfs/dbraw/zinc/43/14/07/1138431407.db2.gz VKRSTYWBVNDVBS-SNVBAGLBSA-N 1 0 317.813 2.008 20 10 DECDRO CCOC(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236813072 1138436507 /nfs/dbraw/zinc/43/65/07/1138436507.db2.gz FUHQUEDHIVHONR-UHFFFAOYSA-N 1 0 322.405 2.420 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c(O)c1 ZINC001236820986 1138440171 /nfs/dbraw/zinc/44/01/71/1138440171.db2.gz PWQHDPBHDJVRKL-UHFFFAOYSA-N 1 0 300.358 2.368 20 10 DECDRO CCOc1ccc(C[N@H+](C)C2CCN(C(C)=O)CC2)c(O)c1 ZINC001237043255 1138487232 /nfs/dbraw/zinc/48/72/32/1138487232.db2.gz NFUVMOAWDRZVDB-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO COc1cc(O)c(CN2CCCOCC2)c(Br)c1 ZINC001237058519 1138492498 /nfs/dbraw/zinc/49/24/98/1138492498.db2.gz ALDBXCAVOCFKQJ-UHFFFAOYSA-N 1 0 316.195 2.386 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237084290 1138499577 /nfs/dbraw/zinc/49/95/77/1138499577.db2.gz JTNLBTNFFBMQPR-JTQLQIEISA-N 1 0 319.232 2.461 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118179 1138506536 /nfs/dbraw/zinc/50/65/36/1138506536.db2.gz VVOJDHYQYNWWHU-VIFPVBQESA-N 1 0 319.279 2.286 20 10 DECDRO C[N@H+]1C[C@H]2CN(Cc3c(O)cccc3OC(F)(F)F)C[C@H]2C1 ZINC001237122433 1138507599 /nfs/dbraw/zinc/50/75/99/1138507599.db2.gz ITCLOHUXXQQDTG-PHIMTYICSA-N 1 0 316.323 2.284 20 10 DECDRO C[NH2+]CCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237206177 1138533284 /nfs/dbraw/zinc/53/32/84/1138533284.db2.gz SZXFVTFLAXGPKB-UHFFFAOYSA-N 1 0 317.355 2.317 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@](C)(CO)CC2)c(O)c(OC)c1 ZINC001237670242 1138745942 /nfs/dbraw/zinc/74/59/42/1138745942.db2.gz QZVVJFOHFXYZGF-KRWDZBQOSA-N 1 0 309.406 2.394 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC001238060558 1138819224 /nfs/dbraw/zinc/81/92/24/1138819224.db2.gz BZKKXQHLUBPDGL-UHFFFAOYSA-N 1 0 306.381 2.330 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001238066185 1138819718 /nfs/dbraw/zinc/81/97/18/1138819718.db2.gz JEGNZMTUZBRAIQ-SWLSCSKDSA-N 1 0 306.381 2.282 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)c1O ZINC001278358081 1140072459 /nfs/dbraw/zinc/07/24/59/1140072459.db2.gz PJTMRPOKFTULCH-BEFAXECRSA-N 1 0 312.413 2.372 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnc2n1CCOC2 ZINC001320816870 1140934528 /nfs/dbraw/zinc/93/45/28/1140934528.db2.gz NSYZBFGNRJJSKO-NEPJUHHUSA-N 1 0 314.389 2.160 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)cc1 ZINC001320862599 1140958206 /nfs/dbraw/zinc/95/82/06/1140958206.db2.gz JURKOEASIRHCKN-KRWDZBQOSA-N 1 0 306.450 2.267 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC001321242064 1141095724 /nfs/dbraw/zinc/09/57/24/1141095724.db2.gz VHUSZMRFLCFSFT-TUVASFSCSA-N 1 0 305.418 2.484 20 10 DECDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c(C)c1 ZINC001246933782 1141144815 /nfs/dbraw/zinc/14/48/15/1141144815.db2.gz LABLABAFXZZCOC-CVEARBPZSA-N 1 0 303.450 2.266 20 10 DECDRO COC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC001321335353 1141175197 /nfs/dbraw/zinc/17/51/97/1141175197.db2.gz VTJCLHLKVYUFFH-UHFFFAOYSA-N 1 0 304.390 2.155 20 10 DECDRO C[N@H+](C[C@@H](O)CNCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001336703181 1142538031 /nfs/dbraw/zinc/53/80/31/1142538031.db2.gz IGSQECQWIQOWRW-IBGZPJMESA-N 1 0 317.477 2.222 20 10 DECDRO c1nc2n(c1C[NH2+]Cc1ccc(N3CCCC3)cc1)CCOC2 ZINC001336776934 1142567537 /nfs/dbraw/zinc/56/75/37/1142567537.db2.gz HHRQCWIIZBEJIS-UHFFFAOYSA-N 1 0 312.417 2.303 20 10 DECDRO Nc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC001337838201 1142804635 /nfs/dbraw/zinc/80/46/35/1142804635.db2.gz KESBLQUXHBICPN-LJQANCHMSA-N 1 0 311.429 2.432 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC001338732489 1142874295 /nfs/dbraw/zinc/87/42/95/1142874295.db2.gz PWBYDIHJIBLGTE-UHFFFAOYSA-N 1 0 316.449 2.213 20 10 DECDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001340340028 1143326405 /nfs/dbraw/zinc/32/64/05/1143326405.db2.gz JXWFNXXVXPCHRD-HNNXBMFYSA-N 1 0 314.385 2.497 20 10 DECDRO CC(C)(C[NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001340820346 1143454780 /nfs/dbraw/zinc/45/47/80/1143454780.db2.gz CYJHLYDBYCXULS-UHFFFAOYSA-N 1 0 321.490 2.231 20 10 DECDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341802166 1143711897 /nfs/dbraw/zinc/71/18/97/1143711897.db2.gz JAUKECSDNCFZJL-HNNXBMFYSA-N 1 0 309.429 2.092 20 10 DECDRO CCOc1ccc(N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC001256209661 1143836592 /nfs/dbraw/zinc/83/65/92/1143836592.db2.gz RKOIVOLIVFFSIQ-UHFFFAOYSA-N 1 0 303.450 2.302 20 10 DECDRO COC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001258372533 1144000639 /nfs/dbraw/zinc/00/06/39/1144000639.db2.gz XWTLEVOGPVQQQO-HNNXBMFYSA-N 1 0 320.433 2.297 20 10 DECDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCC[C@@H](C)C1 ZINC001258806748 1144042942 /nfs/dbraw/zinc/04/29/42/1144042942.db2.gz BKJXDHROJVTYLU-XBFCOCLRSA-N 1 0 307.390 2.350 20 10 DECDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(N2CCCC2)cc1 ZINC001261376500 1144239770 /nfs/dbraw/zinc/23/97/70/1144239770.db2.gz PZZCEICWLCIAQO-IAGOWNOFSA-N 1 0 317.477 2.174 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCO1 ZINC001261788794 1144276599 /nfs/dbraw/zinc/27/65/99/1144276599.db2.gz JDEAFZBKCDBWDY-ZBFHGGJFSA-N 1 0 314.376 2.314 20 10 DECDRO CC1([NH+]2CCC2)CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC001263209518 1144361491 /nfs/dbraw/zinc/36/14/91/1144361491.db2.gz LXHNFUUXXXZJRD-UHFFFAOYSA-N 1 0 301.434 2.335 20 10 DECDRO CC[C@H](OC)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265756807 1144738056 /nfs/dbraw/zinc/73/80/56/1144738056.db2.gz LMQBHHJSHOMDIV-HIFRSBDPSA-N 1 0 308.422 2.023 20 10 DECDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001301481529 1147292644 /nfs/dbraw/zinc/29/26/44/1147292644.db2.gz NUXPVPNHZWBXHQ-UKRRQHHQSA-N 1 0 320.433 2.219 20 10 DECDRO O=C(c1cnn(-c2ccncc2)c1)N1Cc2cccc(O)c2C1 ZINC001302786926 1147315022 /nfs/dbraw/zinc/31/50/22/1147315022.db2.gz LRNKABPYBNMUTH-UHFFFAOYSA-N 1 0 306.325 2.129 20 10 DECDRO Cc1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)ccc1N1CCCCC1 ZINC001307882533 1147438670 /nfs/dbraw/zinc/43/86/70/1147438670.db2.gz PYSYKTKDIIOHBI-ROUUACIJSA-N 1 0 318.461 2.303 20 10 DECDRO COc1cc(C[NH2+]C(C)(C)CNC(N)=O)c(O)c(C(C)(C)C)c1 ZINC001308541535 1147479412 /nfs/dbraw/zinc/47/94/12/1147479412.db2.gz YWBYUUREJRFMBA-UHFFFAOYSA-N 1 0 323.437 2.235 20 10 DECDRO CCN1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001308859810 1147488837 /nfs/dbraw/zinc/48/88/37/1147488837.db2.gz NDZVYZCTJKCKPO-CVEARBPZSA-N 1 0 303.450 2.348 20 10 DECDRO COc1cc(C)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)c(O)c1 ZINC001308947479 1147490715 /nfs/dbraw/zinc/49/07/15/1147490715.db2.gz KRTLPQPTQCJJEA-UHFFFAOYSA-N 1 0 321.417 2.121 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C)n[nH]3)C2)cc1 ZINC001325736518 1147992206 /nfs/dbraw/zinc/99/22/06/1147992206.db2.gz JTRROWUMFFRKNX-CQSZACIVSA-N 1 0 300.406 2.343 20 10 DECDRO C[NH+](C)C1(C)CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001353449218 1151831228 /nfs/dbraw/zinc/83/12/28/1151831228.db2.gz WLOXVJKRUZMYSU-UHFFFAOYSA-N 1 0 304.438 2.331 20 10 DECDRO CN1CCC(CCO)([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001326848139 1148269416 /nfs/dbraw/zinc/26/94/16/1148269416.db2.gz WVLOJWZAEQUFFG-UHFFFAOYSA-N 1 0 317.477 2.223 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+](C3CCOCC3)CC2)cc1C ZINC000083114872 185213230 /nfs/dbraw/zinc/21/32/30/185213230.db2.gz CTUYZWFDEWSBET-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090643200 185307879 /nfs/dbraw/zinc/30/78/79/185307879.db2.gz RPFLAGPLELLCCP-AWEZNQCLSA-N 1 0 322.424 2.476 20 10 DECDRO CN1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000322382720 539902147 /nfs/dbraw/zinc/90/21/47/539902147.db2.gz MBEXGQFDZUPLTJ-UHFFFAOYSA-N 1 0 307.397 2.429 20 10 DECDRO COc1ccc(N2CC[NH+](CC3=CCCOC3)CC2)cc1F ZINC000091923595 193126745 /nfs/dbraw/zinc/12/67/45/193126745.db2.gz WKTWTKBKZRYWBQ-UHFFFAOYSA-N 1 0 306.381 2.303 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000418103527 533018021 /nfs/dbraw/zinc/01/80/21/533018021.db2.gz WNAYZTGUXHJCDZ-AWEZNQCLSA-N 1 0 314.433 2.380 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000294686158 224166987 /nfs/dbraw/zinc/16/69/87/224166987.db2.gz BNWJIUFWWCCMOO-HNNXBMFYSA-N 1 0 305.349 2.233 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000272843891 130069347 /nfs/dbraw/zinc/06/93/47/130069347.db2.gz RSGXXGFIHJNMFU-UHFFFAOYSA-N 1 0 305.296 2.290 20 10 DECDRO CC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000273153557 130093080 /nfs/dbraw/zinc/09/30/80/130093080.db2.gz IJRVKZCLCQGZFQ-TZMCWYRMSA-N 1 0 308.422 2.265 20 10 DECDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1O ZINC000274803247 130263799 /nfs/dbraw/zinc/26/37/99/130263799.db2.gz RVNUMCQZYKIGRN-CQSZACIVSA-N 1 0 313.401 2.475 20 10 DECDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946053 130827706 /nfs/dbraw/zinc/82/77/06/130827706.db2.gz JFAZWZQNQMHKPB-ZFWWWQNUSA-N 1 0 310.413 2.474 20 10 DECDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000284407507 131078316 /nfs/dbraw/zinc/07/83/16/131078316.db2.gz QFMKYZBJRGSIRX-HNNXBMFYSA-N 1 0 304.434 2.479 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1C ZINC000284973548 131127026 /nfs/dbraw/zinc/12/70/26/131127026.db2.gz BGLOMUCCJWTZLW-WBVHZDCISA-N 1 0 304.434 2.304 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)oc1C ZINC000289380418 131381065 /nfs/dbraw/zinc/38/10/65/131381065.db2.gz CIKRYAYRTUJLJF-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO COc1ccc2c(c1)CCCCN2C[C@H](O)C[N@H+](C)C1CC1 ZINC000289395469 131382759 /nfs/dbraw/zinc/38/27/59/131382759.db2.gz RQPVKGSDQKXSDT-MRXNPFEDSA-N 1 0 304.434 2.293 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000298677765 132073356 /nfs/dbraw/zinc/07/33/56/132073356.db2.gz VTRCQNOSDUJSQK-SJORKVTESA-N 1 0 316.449 2.179 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC(=O)NCC2CC2)C2CC2)cc1 ZINC000298705488 132074720 /nfs/dbraw/zinc/07/47/20/132074720.db2.gz IYXDECWCOFSFJQ-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551028 134647839 /nfs/dbraw/zinc/64/78/39/134647839.db2.gz KDBVEZHTCSOXNT-UKRRQHHQSA-N 1 0 308.397 2.492 20 10 DECDRO CC[NH+](CC)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117976086 401888361 /nfs/dbraw/zinc/88/83/61/401888361.db2.gz WNSVQWNDWHLPHI-MRXNPFEDSA-N 1 0 320.433 2.242 20 10 DECDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000133939267 401896057 /nfs/dbraw/zinc/89/60/57/401896057.db2.gz VYAXVTVZDABGGK-HNNXBMFYSA-N 1 0 312.417 2.313 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000098110848 402137608 /nfs/dbraw/zinc/13/76/08/402137608.db2.gz RPONUDNHDWLYIZ-UHFFFAOYSA-N 1 0 306.381 2.262 20 10 DECDRO COc1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1O ZINC000184713282 402294077 /nfs/dbraw/zinc/29/40/77/402294077.db2.gz QNRUMTMKZGNIPI-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO Cn1cncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000177064735 402366393 /nfs/dbraw/zinc/36/63/93/402366393.db2.gz LGIQFLLYWXKDFA-INIZCTEOSA-N 1 0 301.390 2.307 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000228673696 402339181 /nfs/dbraw/zinc/33/91/81/402339181.db2.gz YRGYPWYENGTYGJ-JTQLQIEISA-N 1 0 312.797 2.155 20 10 DECDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(O)c2O)C1 ZINC000186943790 402472663 /nfs/dbraw/zinc/47/26/63/402472663.db2.gz CDKVBFLKBSBFFW-ZDUSSCGKSA-N 1 0 306.406 2.340 20 10 DECDRO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710601 402528941 /nfs/dbraw/zinc/52/89/41/402528941.db2.gz DDXSTWOIGSTFBS-HOTGVXAUSA-N 1 0 301.434 2.421 20 10 DECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000271273308 402851625 /nfs/dbraw/zinc/85/16/25/402851625.db2.gz XZELLTCJGMHCBX-UHFFFAOYSA-N 1 0 322.380 2.211 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278183055 402861855 /nfs/dbraw/zinc/86/18/55/402861855.db2.gz BPFBOIPOEQPBFY-KGLIPLIRSA-N 1 0 300.406 2.445 20 10 DECDRO COc1c(O)c(CNC(C)(C)c2noc(C)n2)ccc1[N+](=O)[O-] ZINC000278566967 402868456 /nfs/dbraw/zinc/86/84/56/402868456.db2.gz CCIDNMSYQHDEDS-UHFFFAOYSA-N 1 0 322.321 2.025 20 10 DECDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278824290 402875028 /nfs/dbraw/zinc/87/50/28/402875028.db2.gz OKQQVSQEGKYCAY-KBPBESRZSA-N 1 0 310.413 2.474 20 10 DECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278847474 402877336 /nfs/dbraw/zinc/87/73/36/402877336.db2.gz QBXPZQBQGKZUNY-VEVIJQCQSA-N 1 0 305.418 2.462 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3ncc(C)s3)CC2)c1 ZINC000271752152 402884053 /nfs/dbraw/zinc/88/40/53/402884053.db2.gz BYNAUBNZQONBFI-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000279817781 402962209 /nfs/dbraw/zinc/96/22/09/402962209.db2.gz CCKZWJQRVUVPKI-UHFFFAOYSA-N 1 0 315.339 2.140 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000280192817 402973683 /nfs/dbraw/zinc/97/36/83/402973683.db2.gz AXCBXQYYQADCDC-UAGQMJEPSA-N 1 0 306.450 2.438 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@H]1OC ZINC000274944665 403097759 /nfs/dbraw/zinc/09/77/59/403097759.db2.gz RCDDPXCZXNSAOU-UXIGCNINSA-N 1 0 315.797 2.336 20 10 DECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268820720 403117547 /nfs/dbraw/zinc/11/75/47/403117547.db2.gz HONWHTRMZHRDER-OLZOCXBDSA-N 1 0 310.413 2.300 20 10 DECDRO C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC[NH2+]C1 ZINC000269325093 403131109 /nfs/dbraw/zinc/13/11/09/403131109.db2.gz AJULGPJPOWRZBH-SFHVURJKSA-N 1 0 301.434 2.293 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(CC2)OCCCO3)cc1OC ZINC000293533927 403497194 /nfs/dbraw/zinc/49/71/94/403497194.db2.gz CBRXBWWBRGQRGL-UHFFFAOYSA-N 1 0 323.389 2.138 20 10 DECDRO COc1cccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000293564307 403506361 /nfs/dbraw/zinc/50/63/61/403506361.db2.gz GJWUJFHQKXYDDK-QGZVFWFLSA-N 1 0 321.417 2.058 20 10 DECDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000293614047 403519734 /nfs/dbraw/zinc/51/97/34/403519734.db2.gz KGOCXFSHQGMOHZ-ZDUSSCGKSA-N 1 0 314.813 2.305 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000294143282 403658198 /nfs/dbraw/zinc/65/81/98/403658198.db2.gz HNRIDJVZHBCRNH-UHFFFAOYSA-N 1 0 311.385 2.373 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295148322 403774098 /nfs/dbraw/zinc/77/40/98/403774098.db2.gz QWGMLMYSYPEFLE-CYBMUJFWSA-N 1 0 308.378 2.063 20 10 DECDRO CCN(CCC[NH+](CC)CC)C(=O)c1c(F)ccc(O)c1O ZINC000295299545 403839716 /nfs/dbraw/zinc/83/97/16/403839716.db2.gz FHHABFZALBTCBK-UHFFFAOYSA-N 1 0 312.385 2.431 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCc3cnccn3)CC2)cc1 ZINC000362485193 403958525 /nfs/dbraw/zinc/95/85/25/403958525.db2.gz KGLJUHSZPUMYKX-UHFFFAOYSA-N 1 0 312.417 2.286 20 10 DECDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296862084 404346632 /nfs/dbraw/zinc/34/66/32/404346632.db2.gz NPNRKHBEIBZPCC-BQFCYCMXSA-N 1 0 313.397 2.454 20 10 DECDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)C(F)(F)F ZINC000291481152 404395060 /nfs/dbraw/zinc/39/50/60/404395060.db2.gz FTQMRVGHQFXIGM-LLVKDONJSA-N 1 0 316.323 2.283 20 10 DECDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296989620 404404512 /nfs/dbraw/zinc/40/45/12/404404512.db2.gz SHSGGGSFTUTOQS-CABCVRRESA-N 1 0 320.433 2.146 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690199 225208714 /nfs/dbraw/zinc/20/87/14/225208714.db2.gz SPWJZRXKEWHSQA-LLVKDONJSA-N 1 0 310.394 2.404 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCN(c3nccnc3C)CC2)cc1C ZINC000376754681 227173776 /nfs/dbraw/zinc/17/37/76/227173776.db2.gz SKSJZXARNQQCJJ-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000662969903 425768409 /nfs/dbraw/zinc/76/84/09/425768409.db2.gz SIQAZLFFJZWEDR-GFCCVEGCSA-N 1 0 317.433 2.242 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001348860011 1151202984 /nfs/dbraw/zinc/20/29/84/1151202984.db2.gz LIHAUXVOJCHCHY-MUJYYYPQSA-N 1 0 303.425 2.466 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC001349137358 1151225128 /nfs/dbraw/zinc/22/51/28/1151225128.db2.gz IIGHYSHNLBVMSJ-IJEWVQPXSA-N 1 0 307.413 2.397 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000363712708 332227407 /nfs/dbraw/zinc/22/74/07/332227407.db2.gz KHMFLUTXALOVLU-BBRMVZONSA-N 1 0 300.406 2.445 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000377283220 533953246 /nfs/dbraw/zinc/95/32/46/533953246.db2.gz NTYZUIDHYNVBOR-LBPRGKRZSA-N 1 0 308.769 2.093 20 10 DECDRO CC(C)[N@H+](CCN1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000265909176 519646410 /nfs/dbraw/zinc/64/64/10/519646410.db2.gz JZFABQPITAGHJQ-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO COc1ccc(N2CC[NH+](CCCn3ccnc3)CC2)cc1 ZINC000182664530 524422572 /nfs/dbraw/zinc/42/25/72/524422572.db2.gz AAURVCOMGXXZOF-UHFFFAOYSA-N 1 0 300.406 2.104 20 10 DECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000192500451 525141998 /nfs/dbraw/zinc/14/19/98/525141998.db2.gz QFFWELQOBUELGS-DNVCBOLYSA-N 1 0 318.461 2.410 20 10 DECDRO C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC[NH2+]1 ZINC000180990340 525801693 /nfs/dbraw/zinc/80/16/93/525801693.db2.gz CZSXNKZWLVOMQM-SFHVURJKSA-N 1 0 301.434 2.435 20 10 DECDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183462225 525819545 /nfs/dbraw/zinc/81/95/45/525819545.db2.gz CVMLCGWAYUPIBC-ZDUSSCGKSA-N 1 0 314.385 2.481 20 10 DECDRO COC1(C[NH2+]Cc2ccc3c(c2)CCCN3C)CCOCC1 ZINC000276956159 536679918 /nfs/dbraw/zinc/67/99/18/536679918.db2.gz DDQNXSZSEAZPJI-UHFFFAOYSA-N 1 0 304.434 2.354 20 10 DECDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000835039140 649870395 /nfs/dbraw/zinc/87/03/95/649870395.db2.gz BLAWOFLDAHDDQA-BDUNBXCCSA-N 1 0 317.477 2.324 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835042095 649870734 /nfs/dbraw/zinc/87/07/34/649870734.db2.gz GUSMCKMUWNTGBJ-JFDDCEBESA-N 1 0 316.449 2.159 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000840892834 625544050 /nfs/dbraw/zinc/54/40/50/625544050.db2.gz DTCKWXMEHIRTDG-HOCLYGCPSA-N 1 0 324.490 2.159 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1O ZINC000776252528 625571312 /nfs/dbraw/zinc/57/13/12/625571312.db2.gz DLSZIFFIUFCICU-LBPRGKRZSA-N 1 0 303.811 2.021 20 10 DECDRO Cn1nccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160195097 622578778 /nfs/dbraw/zinc/57/87/78/622578778.db2.gz RCDMTQZYLQKLGQ-MRXNPFEDSA-N 1 0 301.390 2.307 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000120128132 622598039 /nfs/dbraw/zinc/59/80/39/622598039.db2.gz ZPXYBHRZMCSIEN-ZDUSSCGKSA-N 1 0 316.195 2.432 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCN(C)C[C@H]2C(C)C)cc1OC ZINC000160278898 623208941 /nfs/dbraw/zinc/20/89/41/623208941.db2.gz IBFYEFCJFQZGHQ-AWEZNQCLSA-N 1 0 308.422 2.181 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccsn2)[NH+](C)C)cc1 ZINC000891247393 623791896 /nfs/dbraw/zinc/79/18/96/623791896.db2.gz JUFMBRBJZQGZOF-HNNXBMFYSA-N 1 0 318.446 2.242 20 10 DECDRO CCO[C@H](CC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251152 623797808 /nfs/dbraw/zinc/79/78/08/623797808.db2.gz AENUGBGCUTXDOJ-DLBZAZTESA-N 1 0 321.465 2.287 20 10 DECDRO CSC[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252908 623798208 /nfs/dbraw/zinc/79/82/08/623798208.db2.gz OMENPCIFLFILLW-CJNGLKHVSA-N 1 0 323.506 2.471 20 10 DECDRO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000063583513 624058338 /nfs/dbraw/zinc/05/83/38/624058338.db2.gz JYUAMNXGPRDDBH-OAHLLOKOSA-N 1 0 319.449 2.041 20 10 DECDRO Nc1cc[nH+]c(CNC(=O)NCCCSc2nccs2)c1 ZINC000891674036 624525661 /nfs/dbraw/zinc/52/56/61/624525661.db2.gz FYUGTPAKGCIAHB-UHFFFAOYSA-N 1 0 323.447 2.102 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000891813870 624612649 /nfs/dbraw/zinc/61/26/49/624612649.db2.gz MFQSQOGVQQKAIN-RRQGHBQHSA-N 1 0 316.449 2.350 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000891813868 624612839 /nfs/dbraw/zinc/61/28/39/624612839.db2.gz MFQSQOGVQQKAIN-IAOVAPTHSA-N 1 0 316.449 2.350 20 10 DECDRO C[C@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1ccc(N(C)C)cc1 ZINC000891813546 624612903 /nfs/dbraw/zinc/61/29/03/624612903.db2.gz KKPUGRSBBVJYBI-BELGNNRLSA-N 1 0 316.449 2.479 20 10 DECDRO C[C@H](NC(=O)NCc1cc(N)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000891813900 624613116 /nfs/dbraw/zinc/61/31/16/624613116.db2.gz NDXBNLIGFRKRLF-LBPRGKRZSA-N 1 0 313.405 2.290 20 10 DECDRO COc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c1OC ZINC000892100117 624782238 /nfs/dbraw/zinc/78/22/38/624782238.db2.gz CNSZJEXSQYNPFJ-AWEZNQCLSA-N 1 0 320.433 2.327 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000893054453 625080826 /nfs/dbraw/zinc/08/08/26/625080826.db2.gz XPXZUBZJHYEAGU-AWEZNQCLSA-N 1 0 318.465 2.202 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)N(C)C)c(O)c1OC ZINC000892534535 625112755 /nfs/dbraw/zinc/11/27/55/625112755.db2.gz NOGGPIYEMFTGFT-AWEZNQCLSA-N 1 0 310.438 2.475 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CN2CCCCC2)c(O)c1OC ZINC000892554117 625145184 /nfs/dbraw/zinc/14/51/84/625145184.db2.gz YGSKVUWARFZUHG-CYBMUJFWSA-N 1 0 308.422 2.373 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)CC[N@@H+]1C ZINC000893222751 625250050 /nfs/dbraw/zinc/25/00/50/625250050.db2.gz 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C[C@@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccc(N(C)C)cc1 ZINC000922016075 635809949 /nfs/dbraw/zinc/80/99/49/635809949.db2.gz XFCNSWRUYKGGCC-CYBMUJFWSA-N 1 0 314.433 2.410 20 10 DECDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000922055271 635831074 /nfs/dbraw/zinc/83/10/74/635831074.db2.gz OPAKPANIMRRRMK-CYBMUJFWSA-N 1 0 304.438 2.207 20 10 DECDRO O=C(NCc1c(O)cccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000922292059 636067186 /nfs/dbraw/zinc/06/71/86/636067186.db2.gz RJIAMEVYPPFHKN-UHFFFAOYSA-N 1 0 321.396 2.347 20 10 DECDRO COC(=O)[C@@H](C)N(Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000893981243 636080215 /nfs/dbraw/zinc/08/02/15/636080215.db2.gz GYKHYENERFWGMI-LLVKDONJSA-N 1 0 323.389 2.325 20 10 DECDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCOCC2 ZINC000922346359 636112859 /nfs/dbraw/zinc/11/28/59/636112859.db2.gz LQIOEYODBUNCSF-IAGOWNOFSA-N 1 0 303.402 2.031 20 10 DECDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000922401610 636160263 /nfs/dbraw/zinc/16/02/63/636160263.db2.gz 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COc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c(O)c1OC ZINC000894610087 637124996 /nfs/dbraw/zinc/12/49/96/637124996.db2.gz ITQIOJJTTIKJGK-CQSZACIVSA-N 1 0 307.390 2.289 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1Cl ZINC000894610950 637130464 /nfs/dbraw/zinc/13/04/64/637130464.db2.gz IIQRQKZEFZWTBU-UHFFFAOYSA-N 1 0 322.796 2.488 20 10 DECDRO CCc1[nH]c(C[NH2+]Cc2ccc(OC)cc2O)cc1C(=O)OC ZINC000894635020 637142142 /nfs/dbraw/zinc/14/21/42/637142142.db2.gz GRBYCYQWOFUNFC-UHFFFAOYSA-N 1 0 318.373 2.368 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1O ZINC000895037836 637391576 /nfs/dbraw/zinc/39/15/76/637391576.db2.gz RHFYMOWSGKMORH-ZDUSSCGKSA-N 1 0 309.406 2.383 20 10 DECDRO Fc1cc(C[NH2+]C2CSC2)cc(F)c1N1CCOCC1 ZINC000839146409 637789162 /nfs/dbraw/zinc/78/91/62/637789162.db2.gz GLFFWKYLKVMLBW-UHFFFAOYSA-N 1 0 300.374 2.006 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187396 637814479 /nfs/dbraw/zinc/81/44/79/637814479.db2.gz HERXUERBTNPWNH-AEFFLSMTSA-N 1 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COc1c(O)c(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000895927082 638270061 /nfs/dbraw/zinc/27/00/61/638270061.db2.gz LVJSQGABOUWFLF-PWSUYJOCSA-N 1 0 310.350 2.308 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000745854676 638294628 /nfs/dbraw/zinc/29/46/28/638294628.db2.gz NBWFKEQTCJPPSQ-AGIUHOORSA-N 1 0 321.421 2.244 20 10 DECDRO COc1c([O-])c(C[NH2+]CCc2ccc(N)cc2)ccc1[N+](=O)[O-] ZINC000841038795 650410740 /nfs/dbraw/zinc/41/07/40/650410740.db2.gz QMBNYFZLFDHPGE-UHFFFAOYSA-N 1 0 317.345 2.224 20 10 DECDRO COC(=O)C1CCC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841042754 650412662 /nfs/dbraw/zinc/41/26/62/650412662.db2.gz NGEVKTZSONMZTC-VMBOVVBDSA-N 1 0 319.449 2.074 20 10 DECDRO CCOc1cccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000841046029 650413495 /nfs/dbraw/zinc/41/34/95/650413495.db2.gz UTAVUVJRHQLWHY-KRWDZBQOSA-N 1 0 314.433 2.336 20 10 DECDRO C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000841076531 650423888 /nfs/dbraw/zinc/42/38/88/650423888.db2.gz HYAWRZHJZWJGHX-QWHCGFSZSA-N 1 0 306.410 2.410 20 10 DECDRO COc1c([O-])c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000841083184 650425657 /nfs/dbraw/zinc/42/56/57/650425657.db2.gz PJYGLOVYTZXGJI-HAQNSBGRSA-N 1 0 323.393 2.164 20 10 DECDRO C[C@]1([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)COC(=O)N1 ZINC000896394543 638500794 /nfs/dbraw/zinc/50/07/94/638500794.db2.gz FKTARYKJSGSKOJ-BLLLJJGKSA-N 1 0 308.353 2.242 20 10 DECDRO CC(C)(CNC(=O)NCc1ccccc1O)[NH+]1CCCCC1 ZINC000748462762 638559291 /nfs/dbraw/zinc/55/92/91/638559291.db2.gz IVWZOSCWSCEFEJ-UHFFFAOYSA-N 1 0 305.422 2.456 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897229847 639262669 /nfs/dbraw/zinc/26/26/69/639262669.db2.gz XMCREDLHZAOPFH-IBGZPJMESA-N 1 0 317.477 2.404 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000728792823 639387945 /nfs/dbraw/zinc/38/79/45/639387945.db2.gz OIRMFQMPXUHBGT-LLVKDONJSA-N 1 0 323.462 2.020 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000754738359 639466900 /nfs/dbraw/zinc/46/69/00/639466900.db2.gz ZYFFEVBXBWYUJU-MRXNPFEDSA-N 1 0 321.417 2.479 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2C(=O)NCC2(CC)CC)c1O ZINC000897344363 639521192 /nfs/dbraw/zinc/52/11/92/639521192.db2.gz BDABAXXBCPWDGG-HNNXBMFYSA-N 1 0 306.406 2.185 20 10 DECDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)N(C)C ZINC000756737737 639691048 /nfs/dbraw/zinc/69/10/48/639691048.db2.gz ANUYMESVOJUMKS-RKDXNWHRSA-N 1 0 315.211 2.282 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000756759528 639691828 /nfs/dbraw/zinc/69/18/28/639691828.db2.gz KSRXFUDHPHQDDL-KBPBESRZSA-N 1 0 305.422 2.463 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775005 639693910 /nfs/dbraw/zinc/69/39/10/639693910.db2.gz GHRCTEGWCSTKDT-WQAKAFBOSA-N 1 0 305.353 2.136 20 10 DECDRO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000841692263 650541937 /nfs/dbraw/zinc/54/19/37/650541937.db2.gz FTRPTSZGCAXKPV-GJZGRUSLSA-N 1 0 318.465 2.231 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841716607 650549442 /nfs/dbraw/zinc/54/94/42/650549442.db2.gz BGCXTZLUHXJJNM-MRXNPFEDSA-N 1 0 318.465 2.474 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000841718625 650550558 /nfs/dbraw/zinc/55/05/58/650550558.db2.gz WNBFXMHSSOQNGS-WMLDXEAASA-N 1 0 318.465 2.412 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000841719114 650551274 /nfs/dbraw/zinc/55/12/74/650551274.db2.gz DWUVCTVNWWEJDA-INIZCTEOSA-N 1 0 318.465 2.332 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000841718949 650551317 /nfs/dbraw/zinc/55/13/17/650551317.db2.gz YQYWHFVKHWDUPM-WMLDXEAASA-N 1 0 318.465 2.330 20 10 DECDRO C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000841761730 650558681 /nfs/dbraw/zinc/55/86/81/650558681.db2.gz SDHXIAVMSUGEEJ-GXTWGEPZSA-N 1 0 322.428 2.079 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000841757823 650557861 /nfs/dbraw/zinc/55/78/61/650557861.db2.gz AZEUNOOSUCMIOX-BBRMVZONSA-N 1 0 316.449 2.009 20 10 DECDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987583959 640228668 /nfs/dbraw/zinc/22/86/68/640228668.db2.gz HMIOTBLZDPXROS-GXFFZTMASA-N 1 0 303.366 2.062 20 10 DECDRO CCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987585245 640229476 /nfs/dbraw/zinc/22/94/76/640229476.db2.gz NURVHUOFZZTRMC-FZMZJTMJSA-N 1 0 317.393 2.452 20 10 DECDRO Cc1nn(C)cc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222972 640288001 /nfs/dbraw/zinc/28/80/01/640288001.db2.gz ZDGMWDVYKAJTOT-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)CC[NH3+])cc1F ZINC000841799369 650567547 /nfs/dbraw/zinc/56/75/47/650567547.db2.gz URIOLVXCUWWVPH-GFCCVEGCSA-N 1 0 310.417 2.208 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)CCC[NH3+])cc1F ZINC000841799129 650567645 /nfs/dbraw/zinc/56/76/45/650567645.db2.gz PWSFTJUKUPWDGI-UHFFFAOYSA-N 1 0 310.417 2.162 20 10 DECDRO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832280 650574850 /nfs/dbraw/zinc/57/48/50/650574850.db2.gz LKTYNEWYKYITKU-QGZVFWFLSA-N 1 0 314.433 2.086 20 10 DECDRO CCn1nncc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000841857934 650582376 /nfs/dbraw/zinc/58/23/76/650582376.db2.gz LIVFBGZSQPZKGB-UHFFFAOYSA-N 1 0 317.462 2.141 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000763476322 640545261 /nfs/dbraw/zinc/54/52/61/640545261.db2.gz AKMGCXXWXSNHFP-ZDUSSCGKSA-N 1 0 315.369 2.372 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841880623 650591046 /nfs/dbraw/zinc/59/10/46/650591046.db2.gz DYMZZTMAMHGZPL-DVOMOZLQSA-N 1 0 304.438 2.111 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841880626 650591227 /nfs/dbraw/zinc/59/12/27/650591227.db2.gz DYMZZTMAMHGZPL-XEZPLFJOSA-N 1 0 304.438 2.111 20 10 DECDRO C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882970 650592091 /nfs/dbraw/zinc/59/20/91/650592091.db2.gz QBGQWLROJJDXEU-CZUORRHYSA-N 1 0 304.438 2.336 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000764156512 640611977 /nfs/dbraw/zinc/61/19/77/640611977.db2.gz FTRDRGIWIOAOJY-RYUDHWBXSA-N 1 0 324.446 2.015 20 10 DECDRO CC(C)[NH2+]CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841933595 650605830 /nfs/dbraw/zinc/60/58/30/650605830.db2.gz FGMCXRUOUFRWBL-UHFFFAOYSA-N 1 0 306.454 2.282 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841940197 650607252 /nfs/dbraw/zinc/60/72/52/650607252.db2.gz ZFJZRHGYTGQTSQ-OAHLLOKOSA-N 1 0 304.438 2.035 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925313807 640811021 /nfs/dbraw/zinc/81/10/21/640811021.db2.gz PNVPMXDJSIVUEZ-RHSMWYFYSA-N 1 0 318.465 2.377 20 10 DECDRO CC(C)([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841951127 650609709 /nfs/dbraw/zinc/60/97/09/650609709.db2.gz RJBYSVHPUSHFGC-UHFFFAOYSA-N 1 0 317.389 2.434 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(CN3CCNC3=O)CC2)cc1C ZINC000897583057 640822587 /nfs/dbraw/zinc/82/25/87/640822587.db2.gz MERLERXIMMTIQZ-UHFFFAOYSA-N 1 0 317.433 2.246 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000841958794 650612585 /nfs/dbraw/zinc/61/25/85/650612585.db2.gz SWBUAFMHKMFZHA-YOEHRIQHSA-N 1 0 318.465 2.326 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000897683447 640902097 /nfs/dbraw/zinc/90/20/97/640902097.db2.gz DOSCINLFCZMXER-DYVFJYSZSA-N 1 0 319.405 2.398 20 10 DECDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000897826216 640947462 /nfs/dbraw/zinc/94/74/62/640947462.db2.gz VONHAOMUETVSRF-MWLCHTKSSA-N 1 0 318.398 2.089 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCN(C)CCN(C)CC2)cc1 ZINC000897854346 640955031 /nfs/dbraw/zinc/95/50/31/640955031.db2.gz FAIRLDVCPDXGFQ-UHFFFAOYSA-N 1 0 318.509 2.212 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000898114248 641024905 /nfs/dbraw/zinc/02/49/05/641024905.db2.gz BDCHNKIWVDIJNG-WBMJQRKESA-N 1 0 307.390 2.390 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000842003712 650625276 /nfs/dbraw/zinc/62/52/76/650625276.db2.gz JLKMNMGFERDDPZ-STQMWFEESA-N 1 0 321.421 2.293 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2cccnc2C)cc1OC ZINC000898254430 641066014 /nfs/dbraw/zinc/06/60/14/641066014.db2.gz CVUCRLTUDWSKCB-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)on1 ZINC000768440808 641081123 /nfs/dbraw/zinc/08/11/23/641081123.db2.gz ZFLBOBPQRJNMPJ-DZGCQCFKSA-N 1 0 316.357 2.452 20 10 DECDRO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445737 641082127 /nfs/dbraw/zinc/08/21/27/641082127.db2.gz HEVCGGIEGIEUIC-CZUORRHYSA-N 1 0 307.390 2.065 20 10 DECDRO CC(C)OC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768448432 641083832 /nfs/dbraw/zinc/08/38/32/641083832.db2.gz CBQICRDFORTRAU-MRXNPFEDSA-N 1 0 307.390 2.207 20 10 DECDRO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463707 641084738 /nfs/dbraw/zinc/08/47/38/641084738.db2.gz VTLGGEDVGPWLNH-CQSZACIVSA-N 1 0 320.414 2.339 20 10 DECDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000768463304 641085287 /nfs/dbraw/zinc/08/52/87/641085287.db2.gz GOOZJVPQHRKFGD-CVEARBPZSA-N 1 0 300.402 2.124 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000768842153 641132326 /nfs/dbraw/zinc/13/23/26/641132326.db2.gz SWJFPUWLDPNMFT-CYBMUJFWSA-N 1 0 305.374 2.325 20 10 DECDRO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC)C2)c1O ZINC000769452715 641242559 /nfs/dbraw/zinc/24/25/59/641242559.db2.gz ZHRPIJDMTZBFLD-NSHDSACASA-N 1 0 316.195 2.384 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769467411 641244566 /nfs/dbraw/zinc/24/45/66/641244566.db2.gz TWGGROCPEPMSHP-DLBZAZTESA-N 1 0 317.477 2.438 20 10 DECDRO C[N@H+](CCC(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000771626737 641532692 /nfs/dbraw/zinc/53/26/92/641532692.db2.gz AYRQNRFEKODOEP-UHFFFAOYSA-N 1 0 320.433 2.411 20 10 DECDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000842225895 650673002 /nfs/dbraw/zinc/67/30/02/650673002.db2.gz KWWVLDFMEMVSNO-ZWKOTPCHSA-N 1 0 306.450 2.288 20 10 DECDRO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCCCC2)cc1 ZINC000772468367 641642414 /nfs/dbraw/zinc/64/24/14/641642414.db2.gz SZYKFZYFBWDETJ-AWEZNQCLSA-N 1 0 314.437 2.094 20 10 DECDRO Cc1nn(C)cc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449919 641662195 /nfs/dbraw/zinc/66/21/95/641662195.db2.gz LPVRPGRJZWQWIT-SFHVURJKSA-N 1 0 315.465 2.187 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC000898588125 641712498 /nfs/dbraw/zinc/71/24/98/641712498.db2.gz CBMVOKLMRQCNGO-UHFFFAOYSA-N 1 0 305.422 2.232 20 10 DECDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773103675 641728985 /nfs/dbraw/zinc/72/89/85/641728985.db2.gz JSBPCMYCBJWXQB-CZUORRHYSA-N 1 0 322.424 2.474 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1 ZINC000773753313 641820196 /nfs/dbraw/zinc/82/01/96/641820196.db2.gz GEAVTNJFTNSWGM-UHFFFAOYSA-N 1 0 313.449 2.198 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@](C)(COC)CC(=O)OC)cc1 ZINC000773796363 641825219 /nfs/dbraw/zinc/82/52/19/641825219.db2.gz YIMJJFHKPLSLKL-KRWDZBQOSA-N 1 0 308.422 2.201 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N(C)C2CC2)[NH+](C)C)cc1 ZINC000899095717 641929714 /nfs/dbraw/zinc/92/97/14/641929714.db2.gz LEUPXONFRMBPAD-INIZCTEOSA-N 1 0 304.438 2.159 20 10 DECDRO COc1c(O)c(C[NH2+][C@@H](CO)c2ccsc2)ccc1[N+](=O)[O-] ZINC000775072015 642003588 /nfs/dbraw/zinc/00/35/88/642003588.db2.gz VQCVVFJALVCGSI-NSHDSACASA-N 1 0 324.358 2.194 20 10 DECDRO C[N@H+](CCn1cc(Br)cn1)Cc1ccccc1O ZINC000111236351 642096803 /nfs/dbraw/zinc/09/68/03/642096803.db2.gz MLUADLUTRDBNPL-UHFFFAOYSA-N 1 0 310.195 2.483 20 10 DECDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000775835781 642103877 /nfs/dbraw/zinc/10/38/77/642103877.db2.gz JHQJRXAIXJTWSN-CYBMUJFWSA-N 1 0 315.421 2.084 20 10 DECDRO C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776239782 642148573 /nfs/dbraw/zinc/14/85/73/642148573.db2.gz VFNNPUQBBYVTMC-CQSZACIVSA-N 1 0 304.438 2.161 20 10 DECDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779020685 642457169 /nfs/dbraw/zinc/45/71/69/642457169.db2.gz OCVWTIZTLOTFLP-CQSZACIVSA-N 1 0 310.413 2.303 20 10 DECDRO CN(C)c1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000779472986 642503650 /nfs/dbraw/zinc/50/36/50/642503650.db2.gz CKOHERDILWNWQQ-UHFFFAOYSA-N 1 0 312.417 2.290 20 10 DECDRO Nc1ccc(CC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000842515114 650759011 /nfs/dbraw/zinc/75/90/11/650759011.db2.gz SRINKVGQHOUTSO-UHFFFAOYSA-N 1 0 313.445 2.081 20 10 DECDRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(O)c1O ZINC000780887528 642684468 /nfs/dbraw/zinc/68/44/68/642684468.db2.gz QNNQQKDIABIZDI-OLZOCXBDSA-N 1 0 306.406 2.399 20 10 DECDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892579 642685808 /nfs/dbraw/zinc/68/58/08/642685808.db2.gz MBWHWBSUAMFPHE-ZBFHGGJFSA-N 1 0 322.424 2.255 20 10 DECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C[C@H]1C ZINC000780951547 642694174 /nfs/dbraw/zinc/69/41/74/642694174.db2.gz ZBHVBRFKCLBWPE-CHWSQXEVSA-N 1 0 306.406 2.351 20 10 DECDRO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000902518700 643063351 /nfs/dbraw/zinc/06/33/51/643063351.db2.gz TZYVUBSEGGPZAM-JZXOWHBKSA-N 1 0 304.482 2.215 20 10 DECDRO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000902518701 643063526 /nfs/dbraw/zinc/06/35/26/643063526.db2.gz TZYVUBSEGGPZAM-NUJGCVRESA-N 1 0 304.482 2.215 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1F ZINC000842720710 650811522 /nfs/dbraw/zinc/81/15/22/650811522.db2.gz LCQMPVCOBURETN-CQSZACIVSA-N 1 0 307.413 2.381 20 10 DECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000842753026 650817356 /nfs/dbraw/zinc/81/73/56/650817356.db2.gz BGLCNIDGQFIDSJ-WBVHZDCISA-N 1 0 306.450 2.410 20 10 DECDRO Cn1nc(Br)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000785447454 643235580 /nfs/dbraw/zinc/23/55/80/643235580.db2.gz HYPBTESFMHOKGL-UHFFFAOYSA-N 1 0 322.206 2.407 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903067896 643236753 /nfs/dbraw/zinc/23/67/53/643236753.db2.gz XXZVFNQZXRYDPR-MSOLQXFVSA-N 1 0 302.418 2.324 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000903390868 643338931 /nfs/dbraw/zinc/33/89/31/643338931.db2.gz UUERQULITCVMFM-WFASDCNBSA-N 1 0 307.390 2.390 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)CO ZINC000903448595 643354667 /nfs/dbraw/zinc/35/46/67/643354667.db2.gz QRLCEHQVHSNJMI-PBHICJAKSA-N 1 0 307.482 2.352 20 10 DECDRO C[C@H](CCCCO)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449360 643355940 /nfs/dbraw/zinc/35/59/40/643355940.db2.gz YAGRRMZZBNKBFN-CRAIPNDOSA-N 1 0 307.482 2.496 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786828472 643414644 /nfs/dbraw/zinc/41/46/44/643414644.db2.gz SCEMKVCRKHQQLQ-UHFFFAOYSA-N 1 0 311.428 2.455 20 10 DECDRO Cc1cccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1O ZINC000787288862 643477400 /nfs/dbraw/zinc/47/74/00/643477400.db2.gz OHCKLJCGVJHJOS-MRXNPFEDSA-N 1 0 317.433 2.278 20 10 DECDRO Oc1ccc(Cl)cc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973741 643531580 /nfs/dbraw/zinc/53/15/80/643531580.db2.gz HEXJDUVOSFQALQ-AWEZNQCLSA-N 1 0 310.825 2.294 20 10 DECDRO CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903982150 643535211 /nfs/dbraw/zinc/53/52/11/643535211.db2.gz LWTLMTFYKVOGAW-ZIAGYGMSSA-N 1 0 301.356 2.464 20 10 DECDRO COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903981388 643535508 /nfs/dbraw/zinc/53/55/08/643535508.db2.gz CPQQQTPXRFFRHV-QWRGUYRKSA-N 1 0 304.312 2.112 20 10 DECDRO COc1ccc(O)c(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000788300256 643591160 /nfs/dbraw/zinc/59/11/60/643591160.db2.gz WVNAVPSNDBMKRR-CQSZACIVSA-N 1 0 306.406 2.282 20 10 DECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789565032 643750125 /nfs/dbraw/zinc/75/01/25/643750125.db2.gz GGIGENJGUHHXLW-GOSISDBHSA-N 1 0 322.424 2.399 20 10 DECDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000790455928 643854808 /nfs/dbraw/zinc/85/48/08/643854808.db2.gz RBYRMGPCVVVFLT-CQSZACIVSA-N 1 0 311.385 2.137 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000790466219 643856084 /nfs/dbraw/zinc/85/60/84/643856084.db2.gz MCFZUUCGMDDSOK-AWEZNQCLSA-N 1 0 314.385 2.001 20 10 DECDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000790618512 643873393 /nfs/dbraw/zinc/87/33/93/643873393.db2.gz ILZRHRLCMIFOEJ-OCCSQVGLSA-N 1 0 301.814 2.293 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790930382 643909606 /nfs/dbraw/zinc/90/96/06/643909606.db2.gz LPBZKODIFZNDGL-CYBMUJFWSA-N 1 0 307.390 2.171 20 10 DECDRO Cn1cnc(/C=C/C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000906032741 644118832 /nfs/dbraw/zinc/11/88/32/644118832.db2.gz SOOFFEDJYMRAOB-QXLXQBSBSA-N 1 0 324.428 2.343 20 10 DECDRO COc1ccc(CNC(=O)CCCC[NH+]2CCCC2)c(O)c1 ZINC000794378191 644405428 /nfs/dbraw/zinc/40/54/28/644405428.db2.gz DMJOZHLQCVRUNO-UHFFFAOYSA-N 1 0 306.406 2.283 20 10 DECDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cccc(OC)c2O)C1 ZINC000907062012 644434287 /nfs/dbraw/zinc/43/42/87/644434287.db2.gz ZXMQBYSDNZFNGZ-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000794892482 644488294 /nfs/dbraw/zinc/48/82/94/644488294.db2.gz VHGSVGCYVFXDNN-RDTXWAMCSA-N 1 0 321.417 2.479 20 10 DECDRO CNC(=O)C[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccccc1 ZINC000796036123 644677385 /nfs/dbraw/zinc/67/73/85/644677385.db2.gz HFISYDSGFNRIIE-INIZCTEOSA-N 1 0 314.385 2.368 20 10 DECDRO CNC(=O)C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000796037500 644677540 /nfs/dbraw/zinc/67/75/40/644677540.db2.gz XEXYHFQCIHCUAN-HNNXBMFYSA-N 1 0 302.349 2.498 20 10 DECDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000843298579 650944759 /nfs/dbraw/zinc/94/47/59/650944759.db2.gz PEGIELRZVYMHMB-CZUORRHYSA-N 1 0 312.417 2.067 20 10 DECDRO C[C@H]1CCCCN1C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350203 650954644 /nfs/dbraw/zinc/95/46/44/650954644.db2.gz PCDQTVRXABATJZ-AWEZNQCLSA-N 1 0 301.434 2.299 20 10 DECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103615577 645094060 /nfs/dbraw/zinc/09/40/60/645094060.db2.gz NIOZQEUUTPVSAM-OLZOCXBDSA-N 1 0 323.437 2.491 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000843489482 650983452 /nfs/dbraw/zinc/98/34/52/650983452.db2.gz PTBCUFLTQLZOGA-OJDYBEQGSA-N 1 0 318.417 2.499 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000808708717 645301781 /nfs/dbraw/zinc/30/17/81/645301781.db2.gz PDEQKDVBMWATOM-ZJUUUORDSA-N 1 0 305.827 2.438 20 10 DECDRO Cc1cnc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000911667939 645770421 /nfs/dbraw/zinc/77/04/21/645770421.db2.gz UTQQLYXBPQPVQQ-MRXNPFEDSA-N 1 0 312.417 2.194 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000806663088 645859040 /nfs/dbraw/zinc/85/90/40/645859040.db2.gz LZDIFDCLEGXNSJ-CABZTGNLSA-N 1 0 300.399 2.050 20 10 DECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3O)CCC4)[C@H]2C1 ZINC000840083008 645909412 /nfs/dbraw/zinc/90/94/12/645909412.db2.gz BJXTTXBNDHYMOF-PKOBYXMFSA-N 1 0 316.445 2.176 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c1O ZINC000808216765 646057874 /nfs/dbraw/zinc/05/78/74/646057874.db2.gz KEOKIKKMVSSRIL-OAHLLOKOSA-N 1 0 320.433 2.447 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c(O)c1 ZINC000808454274 646088084 /nfs/dbraw/zinc/08/80/84/646088084.db2.gz OCRQYGSHNRSVBZ-CRAIPNDOSA-N 1 0 315.369 2.375 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000808717625 646131311 /nfs/dbraw/zinc/13/13/11/646131311.db2.gz KCAZPDDSOUASQT-ZJUUUORDSA-N 1 0 302.777 2.479 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000809772166 646282658 /nfs/dbraw/zinc/28/26/58/646282658.db2.gz VXIBUIIYQXLXKU-HNNXBMFYSA-N 1 0 318.417 2.235 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000809788007 646283583 /nfs/dbraw/zinc/28/35/83/646283583.db2.gz LJFUUWDEWIUDHV-MAZHCROVSA-N 1 0 306.381 2.268 20 10 DECDRO CCOc1cccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000810157729 646332609 /nfs/dbraw/zinc/33/26/09/646332609.db2.gz CXNUEBWVGJILRI-UHFFFAOYSA-N 1 0 314.385 2.109 20 10 DECDRO NC(=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000810158573 646332934 /nfs/dbraw/zinc/33/29/34/646332934.db2.gz QGLUUIUTWNQTOW-UHFFFAOYSA-N 1 0 304.777 2.363 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000164298892 646432971 /nfs/dbraw/zinc/43/29/71/646432971.db2.gz RHBCWWLMYJDFRV-UHFFFAOYSA-N 1 0 318.417 2.296 20 10 DECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000812044544 646604717 /nfs/dbraw/zinc/60/47/17/646604717.db2.gz LHHOMCSDQVGLNZ-CYBMUJFWSA-N 1 0 323.437 2.320 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000229054067 646664090 /nfs/dbraw/zinc/66/40/90/646664090.db2.gz YKXZRRWTIXUFFR-VIFPVBQESA-N 1 0 300.786 2.057 20 10 DECDRO CC(C)C[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000171846324 646715021 /nfs/dbraw/zinc/71/50/21/646715021.db2.gz KBHXPURUGUYDED-UHFFFAOYSA-N 1 0 317.477 2.297 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCOC1 ZINC000815094202 646967473 /nfs/dbraw/zinc/96/74/73/646967473.db2.gz GEOLDBCXNTYQJW-GOSISDBHSA-N 1 0 320.433 2.263 20 10 DECDRO O=C1OCCN1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816546845 647149982 /nfs/dbraw/zinc/14/99/82/647149982.db2.gz YLNHPYBEBZLPFJ-UHFFFAOYSA-N 1 0 300.358 2.477 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000816550427 647150701 /nfs/dbraw/zinc/15/07/01/647150701.db2.gz QQXATPFQQOPXSF-UHFFFAOYSA-N 1 0 314.341 2.022 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1 ZINC000816653486 647163450 /nfs/dbraw/zinc/16/34/50/647163450.db2.gz UUGIPJHQZHXEJK-OAHLLOKOSA-N 1 0 300.358 2.107 20 10 DECDRO C[C@H]1CC[N@H+](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000816938994 647201170 /nfs/dbraw/zinc/20/11/70/647201170.db2.gz PVIMVIMNYKMBNN-ZDUSSCGKSA-N 1 0 302.418 2.229 20 10 DECDRO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](CC)O1 ZINC000817364559 647277153 /nfs/dbraw/zinc/27/71/53/647277153.db2.gz HRISSWLWFOBNAI-ZENOOKHLSA-N 1 0 307.390 2.207 20 10 DECDRO OC1(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000817414071 647289205 /nfs/dbraw/zinc/28/92/05/647289205.db2.gz FQSGKMZTKSXJDA-UHFFFAOYSA-N 1 0 304.434 2.308 20 10 DECDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889382 647372115 /nfs/dbraw/zinc/37/21/15/647372115.db2.gz UFABPXVTKUBPAQ-SJORKVTESA-N 1 0 321.440 2.412 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000817940762 647388363 /nfs/dbraw/zinc/38/83/63/647388363.db2.gz HSEDJVJESAFDOI-QGZVFWFLSA-N 1 0 319.449 2.028 20 10 DECDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945997 647390729 /nfs/dbraw/zinc/39/07/29/647390729.db2.gz PMWUBKFVRVVQLG-GDBMZVCRSA-N 1 0 321.440 2.455 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccn(C)n3)C2)cc1 ZINC000818222968 647435999 /nfs/dbraw/zinc/43/59/99/647435999.db2.gz ZJPLTLAYWGKQFI-AWEZNQCLSA-N 1 0 300.406 2.045 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000818348913 647457501 /nfs/dbraw/zinc/45/75/01/647457501.db2.gz BCBWATKSDCVXGK-JQWIXIFHSA-N 1 0 315.410 2.494 20 10 DECDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(O)CCC3)cc2F)C[C@H](C)O1 ZINC000818966851 647552106 /nfs/dbraw/zinc/55/21/06/647552106.db2.gz OXVJGNXKBKJIIZ-OKILXGFUSA-N 1 0 322.424 2.444 20 10 DECDRO C[NH+](C)CCOc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732279233 647557153 /nfs/dbraw/zinc/55/71/53/647557153.db2.gz LZCINFRZXZUJHE-UHFFFAOYSA-N 1 0 320.414 2.324 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000840374643 647595801 /nfs/dbraw/zinc/59/58/01/647595801.db2.gz FNZRGBBZDSYWGN-GJZGRUSLSA-N 1 0 320.481 2.241 20 10 DECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000732820235 647665273 /nfs/dbraw/zinc/66/52/73/647665273.db2.gz FQFWEDUBLFGNBM-KRWDZBQOSA-N 1 0 310.413 2.303 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)cc1C ZINC000819896448 647736918 /nfs/dbraw/zinc/73/69/18/647736918.db2.gz GUOKSBRNWDXJGR-CQSZACIVSA-N 1 0 302.378 2.138 20 10 DECDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000822497960 648219552 /nfs/dbraw/zinc/21/95/52/648219552.db2.gz PSZOSZAJRZLKQA-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1c(O)cccc1F ZINC000921437720 648317388 /nfs/dbraw/zinc/31/73/88/648317388.db2.gz FQSZIHJLKZFJMI-GFCCVEGCSA-N 1 0 309.385 2.205 20 10 DECDRO C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC[NH2+]C1 ZINC000237570739 648369858 /nfs/dbraw/zinc/36/98/58/648369858.db2.gz HIUUYESHORKWLX-SFHVURJKSA-N 1 0 302.418 2.277 20 10 DECDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823753877 648479048 /nfs/dbraw/zinc/47/90/48/648479048.db2.gz ZNIBHIADKYMPRV-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000824655181 648630406 /nfs/dbraw/zinc/63/04/06/648630406.db2.gz UQICWWXTCICYJJ-BFYDXBDKSA-N 1 0 321.417 2.153 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655485 648630571 /nfs/dbraw/zinc/63/05/71/648630571.db2.gz WTCRVFPEEYRNNP-NILFDRSVSA-N 1 0 311.809 2.407 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000825124123 648707330 /nfs/dbraw/zinc/70/73/30/648707330.db2.gz IDDOQIPOUWWFNE-JSGCOSHPSA-N 1 0 302.340 2.498 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](CO)(COC)C2)cc1 ZINC000825158547 648714413 /nfs/dbraw/zinc/71/44/13/648714413.db2.gz PKSLAYUJDLZQNH-SFHVURJKSA-N 1 0 306.450 2.364 20 10 DECDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000825325353 648742353 /nfs/dbraw/zinc/74/23/53/648742353.db2.gz BJLQBVGDNHLYPQ-WBVHZDCISA-N 1 0 313.401 2.365 20 10 DECDRO CC1(C)OCC([NH2+]Cc2ccc(Br)cc2O)CO1 ZINC000825509750 648772565 /nfs/dbraw/zinc/77/25/65/648772565.db2.gz QDXSYIJXNMKZMY-UHFFFAOYSA-N 1 0 316.195 2.396 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1O ZINC000825567996 648782200 /nfs/dbraw/zinc/78/22/00/648782200.db2.gz QFDLLTBMRYOEAF-JOYOIKCWSA-N 1 0 300.196 2.357 20 10 DECDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(OC)c1O ZINC000825916680 648826428 /nfs/dbraw/zinc/82/64/28/648826428.db2.gz SSYPRCXXLFRQPW-OAHLLOKOSA-N 1 0 309.406 2.322 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)c1 ZINC000182329670 648875292 /nfs/dbraw/zinc/87/52/92/648875292.db2.gz XJSOCGUXLAYKMZ-LLVKDONJSA-N 1 0 318.417 2.356 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nccs2)c1 ZINC000182329228 648875315 /nfs/dbraw/zinc/87/53/15/648875315.db2.gz AWQQKMQDTDJHBO-SECBINFHSA-N 1 0 307.375 2.147 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C)C2)c1 ZINC000182426744 648902606 /nfs/dbraw/zinc/90/26/06/648902606.db2.gz NRCYJYCOMKUTLS-STQMWFEESA-N 1 0 306.406 2.310 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000826840166 648934111 /nfs/dbraw/zinc/93/41/11/648934111.db2.gz VSHQDQXCWRZZKV-UHFFFAOYSA-N 1 0 313.279 2.499 20 10 DECDRO COc1c(O)c(C[N@H+](C)CC2=CCCOC2)ccc1[N+](=O)[O-] ZINC000827189450 648989178 /nfs/dbraw/zinc/98/91/78/648989178.db2.gz JOCSCUOMTGJMOD-UHFFFAOYSA-N 1 0 308.334 2.088 20 10 DECDRO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000827358336 649021532 /nfs/dbraw/zinc/02/15/32/649021532.db2.gz BDEQWTDFQZONTB-UHFFFAOYSA-N 1 0 320.433 2.362 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000827661613 649063377 /nfs/dbraw/zinc/06/33/77/649063377.db2.gz CNZCUOMEEZSLHY-VQIMIIECSA-N 1 0 316.445 2.305 20 10 DECDRO Oc1cccnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662031 649063382 /nfs/dbraw/zinc/06/33/82/649063382.db2.gz LOSOSXWLJJJVJY-UHFFFAOYSA-N 1 0 313.401 2.038 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725233 649075652 /nfs/dbraw/zinc/07/56/52/649075652.db2.gz CLDPKZVOGOWDFI-RDTXWAMCSA-N 1 0 319.449 2.218 20 10 DECDRO CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000995225322 649198511 /nfs/dbraw/zinc/19/85/11/649198511.db2.gz CPLDRCQPHJTDOQ-BXUZGUMPSA-N 1 0 317.393 2.357 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000828667197 649207834 /nfs/dbraw/zinc/20/78/34/649207834.db2.gz OAKDGFWPTPXCTO-GFCCVEGCSA-N 1 0 306.406 2.358 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000828667926 649207848 /nfs/dbraw/zinc/20/78/48/649207848.db2.gz WNSBWYUQAKIVRO-RLAWYHOSSA-N 1 0 318.417 2.499 20 10 DECDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000184028838 649223454 /nfs/dbraw/zinc/22/34/54/649223454.db2.gz HRMNWHMLDMNTND-OAHLLOKOSA-N 1 0 314.433 2.150 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000829927348 649375089 /nfs/dbraw/zinc/37/50/89/649375089.db2.gz QLRGGFQTKCQWDJ-SFHVURJKSA-N 1 0 300.402 2.456 20 10 DECDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C1=CC(=O)CS1 ZINC000830535476 649457821 /nfs/dbraw/zinc/45/78/21/649457821.db2.gz IPZPXPYRLIGBLD-UHFFFAOYSA-N 1 0 320.414 2.363 20 10 DECDRO O=C(CC1CC[NH2+]CC1)NCc1c(O)ccc2c1CCCC2 ZINC000830597913 649465570 /nfs/dbraw/zinc/46/55/70/649465570.db2.gz VSVAMQHKQUCITK-UHFFFAOYSA-N 1 0 302.418 2.277 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000830597597 649465812 /nfs/dbraw/zinc/46/58/12/649465812.db2.gz POVLPMKTEXKWPH-ZIAGYGMSSA-N 1 0 302.418 2.405 20 10 DECDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000185802532 649624433 /nfs/dbraw/zinc/62/44/33/649624433.db2.gz FGFALHLHOMQBCW-UHFFFAOYSA-N 1 0 318.465 2.162 20 10 DECDRO COc1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(O)c1 ZINC000832177887 649681760 /nfs/dbraw/zinc/68/17/60/649681760.db2.gz IUPGOTLMKBNLQX-SJCJKPOMSA-N 1 0 314.385 2.353 20 10 DECDRO COc1csc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832267660 649691054 /nfs/dbraw/zinc/69/10/54/649691054.db2.gz YNNPLIKHKYULER-AWEZNQCLSA-N 1 0 319.430 2.253 20 10 DECDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834491721 649806986 /nfs/dbraw/zinc/80/69/86/649806986.db2.gz FKRWYNQQDCGKJV-HZPDHXFCSA-N 1 0 304.434 2.326 20 10 DECDRO CC(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000834496955 649807344 /nfs/dbraw/zinc/80/73/44/649807344.db2.gz SXVMDSIPWWYMRF-HOTGVXAUSA-N 1 0 304.434 2.326 20 10 DECDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000844172483 651086208 /nfs/dbraw/zinc/08/62/08/651086208.db2.gz AQHFFAPTTCYGLK-WMLDXEAASA-N 1 0 301.434 2.291 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(O)c(C(C)(C)C)c1 ZINC000844741951 651163770 /nfs/dbraw/zinc/16/37/70/651163770.db2.gz QMDKUVJZPAMOHQ-AHASJALOSA-N 1 0 323.458 2.404 20 10 DECDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000845972564 651298902 /nfs/dbraw/zinc/29/89/02/651298902.db2.gz SAAFTLFHHFNIOK-SNVBAGLBSA-N 1 0 304.346 2.366 20 10 DECDRO OC[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCc2ccccc21 ZINC000846010029 651301400 /nfs/dbraw/zinc/30/14/00/651301400.db2.gz DEMGOGHETHVDDF-SFHVURJKSA-N 1 0 301.361 2.497 20 10 DECDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000846058195 651304729 /nfs/dbraw/zinc/30/47/29/651304729.db2.gz NPTRATDLLPFVCT-INIZCTEOSA-N 1 0 318.461 2.364 20 10 DECDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846071899 651306369 /nfs/dbraw/zinc/30/63/69/651306369.db2.gz BXZPAXDEUVHBMW-OAHLLOKOSA-N 1 0 304.434 2.428 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1O ZINC000846137008 651310497 /nfs/dbraw/zinc/31/04/97/651310497.db2.gz PYGGTKXABZUATN-HOCLYGCPSA-N 1 0 322.449 2.408 20 10 DECDRO CN(CC[NH+]1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846614212 651341050 /nfs/dbraw/zinc/34/10/50/651341050.db2.gz MMMWRGJMMRQQOS-SOFGYWHQSA-N 1 0 304.390 2.055 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)oc1C ZINC000846662933 651343865 /nfs/dbraw/zinc/34/38/65/651343865.db2.gz BPSKAQZKKWFPFU-HNNXBMFYSA-N 1 0 301.390 2.392 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846676883 651345018 /nfs/dbraw/zinc/34/50/18/651345018.db2.gz KCWSOJCUFUQYPG-SJORKVTESA-N 1 0 314.429 2.418 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000847357265 651391161 /nfs/dbraw/zinc/39/11/61/651391161.db2.gz WWNUPHTYPQMDHH-GRDNDAEWSA-N 1 0 318.465 2.453 20 10 DECDRO CCC(C)(C)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000848496328 651463890 /nfs/dbraw/zinc/46/38/90/651463890.db2.gz BUOKOSYPXPLTTC-INIZCTEOSA-N 1 0 320.433 2.124 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000848521053 651466284 /nfs/dbraw/zinc/46/62/84/651466284.db2.gz SCPJOJGCBPPUPB-GOSISDBHSA-N 1 0 303.450 2.096 20 10 DECDRO C[N@@H+]1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000854512852 651492165 /nfs/dbraw/zinc/49/21/65/651492165.db2.gz DQRRUCCTYGEQTA-ZDUSSCGKSA-N 1 0 321.384 2.287 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000848889513 651546405 /nfs/dbraw/zinc/54/64/05/651546405.db2.gz KGQIHGOIVQJVEY-JKSUJKDBSA-N 1 0 302.418 2.445 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC000848892707 651547932 /nfs/dbraw/zinc/54/79/32/651547932.db2.gz FHDVQSZCJOGIDX-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000848896646 651550031 /nfs/dbraw/zinc/55/00/31/651550031.db2.gz FXBMQFWISRVPTA-CABCVRRESA-N 1 0 311.447 2.400 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c1O ZINC000848908727 651555134 /nfs/dbraw/zinc/55/51/34/651555134.db2.gz CELITISLDGERSE-OAHLLOKOSA-N 1 0 311.447 2.354 20 10 DECDRO CCc1cccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000848914704 651559843 /nfs/dbraw/zinc/55/98/43/651559843.db2.gz RJYJESQBAKJNRS-QZTJIDSGSA-N 1 0 305.418 2.364 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000848929103 651564315 /nfs/dbraw/zinc/56/43/15/651564315.db2.gz ANHOCLXTQLJACA-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO CN1CCC[NH+]=C1NCc1ccc(N2CCSCC2)cc1 ZINC000848993597 651573970 /nfs/dbraw/zinc/57/39/70/651573970.db2.gz POFXWOARAHBJOM-UHFFFAOYSA-N 1 0 304.463 2.021 20 10 DECDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(O)c1O ZINC000855809581 651784922 /nfs/dbraw/zinc/78/49/22/651784922.db2.gz HYPGUUORCFFQGX-LBPRGKRZSA-N 1 0 304.390 2.235 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCSc1nccs1 ZINC000850144318 651841839 /nfs/dbraw/zinc/84/18/39/651841839.db2.gz JCYUVFLBROKHMF-HBNTYKKESA-N 1 0 300.449 2.413 20 10 DECDRO COC[C@H](CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850153119 651845435 /nfs/dbraw/zinc/84/54/35/651845435.db2.gz UCVMYFNSKFXAGA-ZDUSSCGKSA-N 1 0 311.422 2.185 20 10 DECDRO COc1cc(C[NH2+][C@@H]2CCCN(C)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850172036 651850723 /nfs/dbraw/zinc/85/07/23/651850723.db2.gz WKGCGXQVUYTCSK-OAHLLOKOSA-N 1 0 320.433 2.409 20 10 DECDRO COC[C@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850242381 651874343 /nfs/dbraw/zinc/87/43/43/651874343.db2.gz RABFOBYMVACJNU-AWEZNQCLSA-N 1 0 311.422 2.449 20 10 DECDRO COCC[C@@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850285203 651887530 /nfs/dbraw/zinc/88/75/30/651887530.db2.gz PRSKWHODWGJEIB-ZDUSSCGKSA-N 1 0 311.422 2.185 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(OC)n3)C2)cc1 ZINC000850347164 651904778 /nfs/dbraw/zinc/90/47/78/651904778.db2.gz OZUWVPATMHMVSU-HNNXBMFYSA-N 1 0 313.401 2.467 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnn(C)c3Cl)C2)cc1 ZINC000850346587 651904834 /nfs/dbraw/zinc/90/48/34/651904834.db2.gz HQOSMEXQDJFRLD-CYBMUJFWSA-N 1 0 320.824 2.451 20 10 DECDRO O=[S@@](CC[NH2+]Cc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000850348269 651905907 /nfs/dbraw/zinc/90/59/07/651905907.db2.gz IMGADHFUGKGFHG-FQEVSTJZSA-N 1 0 307.337 2.022 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850350626 651907135 /nfs/dbraw/zinc/90/71/35/651907135.db2.gz UKEDQBHRZTYAJL-FQEVSTJZSA-N 1 0 308.369 2.153 20 10 DECDRO COc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1C ZINC000850350922 651907818 /nfs/dbraw/zinc/90/78/18/651907818.db2.gz VZFCLTLYPPOSTO-FQEVSTJZSA-N 1 0 309.353 2.404 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000850395853 651919875 /nfs/dbraw/zinc/91/98/75/651919875.db2.gz CISAKWGCIZBOFJ-LBPRGKRZSA-N 1 0 306.406 2.137 20 10 DECDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000850493375 651938416 /nfs/dbraw/zinc/93/84/16/651938416.db2.gz GLGSIZWEPSVGHZ-WFASDCNBSA-N 1 0 309.406 2.493 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccnn3C)C2)cc1 ZINC000850489130 651938455 /nfs/dbraw/zinc/93/84/55/651938455.db2.gz QZJZENWEZWTXTD-ZIAGYGMSSA-N 1 0 300.406 2.358 20 10 DECDRO COc1ccc(O)c(CNC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000114582438 651974402 /nfs/dbraw/zinc/97/44/02/651974402.db2.gz JKGOFWAVKNRVRN-UHFFFAOYSA-N 1 0 323.437 2.319 20 10 DECDRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851654857 652199175 /nfs/dbraw/zinc/19/91/75/652199175.db2.gz KVOUAJHDCOYXEP-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO COCC[N@H+](C)CCCNCc1cc(F)c(N(C)C)cc1F ZINC000858096705 652253561 /nfs/dbraw/zinc/25/35/61/652253561.db2.gz MISKBGRVASWLOL-UHFFFAOYSA-N 1 0 315.408 2.089 20 10 DECDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858325779 652307097 /nfs/dbraw/zinc/30/70/97/652307097.db2.gz LSFYUYWRCPXROL-CQSZACIVSA-N 1 0 305.422 2.175 20 10 DECDRO CCN(C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(OC)c(OC)c1 ZINC000852744541 652447757 /nfs/dbraw/zinc/44/77/57/652447757.db2.gz DIDFHOXEUKOAAT-CQSZACIVSA-N 1 0 306.406 2.051 20 10 DECDRO CC(=O)c1cc(F)cc(CN(C)[C@@H](C[NH3+])C(F)(F)F)c1O ZINC000852762756 652452527 /nfs/dbraw/zinc/45/25/27/652452527.db2.gz VRFXRHDPCOWEEA-NSHDSACASA-N 1 0 308.275 2.055 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852790474 652457481 /nfs/dbraw/zinc/45/74/81/652457481.db2.gz RDEXKPOBIMABEM-UHFFFAOYSA-N 1 0 302.399 2.372 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)ccc21 ZINC000852863616 652471972 /nfs/dbraw/zinc/47/19/72/652471972.db2.gz QAWVDBDWUARRRV-MRXNPFEDSA-N 1 0 301.434 2.073 20 10 DECDRO Cc1cc(Br)c(O)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000853246595 652529186 /nfs/dbraw/zinc/52/91/86/652529186.db2.gz NDLSCOUCPWOUDT-UHFFFAOYSA-N 1 0 311.223 2.305 20 10 DECDRO CCCN(CCC)c1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1 ZINC000853250423 652529515 /nfs/dbraw/zinc/52/95/15/652529515.db2.gz ZNIWQBGSERNYHE-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000853582188 652573217 /nfs/dbraw/zinc/57/32/17/652573217.db2.gz FBSUHCRGFGCAES-OAHLLOKOSA-N 1 0 305.422 2.197 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccon3)CC1)OCO2 ZINC000853592789 652575787 /nfs/dbraw/zinc/57/57/87/652575787.db2.gz DUNHVQGAAOEPOJ-UHFFFAOYSA-N 1 0 302.330 2.489 20 10 DECDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853635461 652582529 /nfs/dbraw/zinc/58/25/29/652582529.db2.gz QDJRRKQLNYTZTL-PBHICJAKSA-N 1 0 321.417 2.455 20 10 DECDRO CC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218182 652659939 /nfs/dbraw/zinc/65/99/39/652659939.db2.gz TTYZWKSDIAHCJK-OLMNPRSZSA-N 1 0 303.450 2.394 20 10 DECDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000392788534 685450830 /nfs/dbraw/zinc/45/08/30/685450830.db2.gz KMTWZUREEGMEAN-MAUKXSAKSA-N 1 0 304.434 2.164 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000858763663 685593154 /nfs/dbraw/zinc/59/31/54/685593154.db2.gz CGLBNIMIIDUIKC-CQSZACIVSA-N 1 0 305.422 2.232 20 10 DECDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000120597836 684098478 /nfs/dbraw/zinc/09/84/78/684098478.db2.gz ZQPPUXIJLCDQBD-UHFFFAOYSA-N 1 0 312.417 2.219 20 10 DECDRO CCCC[N@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000132871354 684213910 /nfs/dbraw/zinc/21/39/10/684213910.db2.gz QOQUYVPRUFEPAY-UHFFFAOYSA-N 1 0 315.211 2.242 20 10 DECDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000136847867 684241911 /nfs/dbraw/zinc/24/19/11/684241911.db2.gz AESAMEAUJKFHQT-NVXWUHKLSA-N 1 0 304.434 2.116 20 10 DECDRO COC(=O)/C=C(\C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929186228 693912840 /nfs/dbraw/zinc/91/28/40/693912840.db2.gz ZORVDJATRWKURE-NTCAYCPXSA-N 1 0 318.417 2.074 20 10 DECDRO CCOC(=O)C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000859082164 685651237 /nfs/dbraw/zinc/65/12/37/685651237.db2.gz PUFADUIPPMRPOS-QGZVFWFLSA-N 1 0 320.433 2.031 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 ZINC000860148537 685891677 /nfs/dbraw/zinc/89/16/77/685891677.db2.gz FZBVTUFHVNGQHC-CVEARBPZSA-N 1 0 316.405 2.454 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000861676845 686168245 /nfs/dbraw/zinc/16/82/45/686168245.db2.gz NSCRJBLOBYOMMD-JKSUJKDBSA-N 1 0 304.438 2.035 20 10 DECDRO CN(C)c1cc(F)c(CN2CCC(CC(N)=O)CC2)cc1F ZINC000862223747 686257898 /nfs/dbraw/zinc/25/78/98/686257898.db2.gz FXQZHNCCPZSODR-UHFFFAOYSA-N 1 0 311.376 2.118 20 10 DECDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC000862352234 686280803 /nfs/dbraw/zinc/28/08/03/686280803.db2.gz ZIPTYFBHHYDACT-GFCCVEGCSA-N 1 0 300.196 2.357 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1Cc2cccc(O)c2C1 ZINC000865259146 686981094 /nfs/dbraw/zinc/98/10/94/686981094.db2.gz ZWNXWXNQTFLQRK-ZDUSSCGKSA-N 1 0 305.447 2.067 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)OCO2 ZINC000865762921 687326466 /nfs/dbraw/zinc/32/64/66/687326466.db2.gz YQQRFGNSFMDLFL-YVEFUNNKSA-N 1 0 305.374 2.416 20 10 DECDRO CC(C)(C)OC(=O)COCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000866437260 687572837 /nfs/dbraw/zinc/57/28/37/687572837.db2.gz DCSOFOYIJRXIKL-ZDUSSCGKSA-N 1 0 307.390 2.327 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1O ZINC000866716494 687664068 /nfs/dbraw/zinc/66/40/68/687664068.db2.gz PFXJPXDJCRWBND-LRDDRELGSA-N 1 0 306.381 2.308 20 10 DECDRO C[NH+](C)C1(C)CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000869008890 688200602 /nfs/dbraw/zinc/20/06/02/688200602.db2.gz XNRVHILHNOZVIU-UHFFFAOYSA-N 1 0 305.422 2.454 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)[C@H](O)CO2 ZINC000872721482 689074226 /nfs/dbraw/zinc/07/42/26/689074226.db2.gz JDPJRALDKJUNJM-IFUGULHKSA-N 1 0 307.415 2.003 20 10 DECDRO CCCC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215480 689085130 /nfs/dbraw/zinc/08/51/30/689085130.db2.gz IBQQVEFNPYGKBG-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO Cn1nnnc1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000872788645 689094323 /nfs/dbraw/zinc/09/43/23/689094323.db2.gz ZLKDLOYHIQDXNU-UHFFFAOYSA-N 1 0 323.400 2.449 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cn1cccn1 ZINC000873007363 689139632 /nfs/dbraw/zinc/13/96/32/689139632.db2.gz NLHZDIQBIXVNLB-INIZCTEOSA-N 1 0 301.390 2.209 20 10 DECDRO CCCOc1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1C ZINC000873017541 689141845 /nfs/dbraw/zinc/14/18/45/689141845.db2.gz FVNZCDVBPQSIDN-UHFFFAOYSA-N 1 0 320.433 2.122 20 10 DECDRO CC[C@@H](O)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873081264 689155949 /nfs/dbraw/zinc/15/59/49/689155949.db2.gz ZGMAZGFDIAACRU-MRXNPFEDSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+]CCCCCO)cc1Cn1cccn1 ZINC000873116577 689160759 /nfs/dbraw/zinc/16/07/59/689160759.db2.gz JRRGLVGWQXNKHU-UHFFFAOYSA-N 1 0 303.406 2.192 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000873240143 689191203 /nfs/dbraw/zinc/19/12/03/689191203.db2.gz KPFXYIOERKTFMP-YRGRVCCFSA-N 1 0 306.406 2.347 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874446808 689416505 /nfs/dbraw/zinc/41/65/05/689416505.db2.gz XCIHGJMYBQEMJT-UHFFFAOYSA-N 1 0 303.366 2.017 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000874457307 689418142 /nfs/dbraw/zinc/41/81/42/689418142.db2.gz SNLPDXLLEJSODM-AWEZNQCLSA-N 1 0 315.377 2.015 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000875090761 689570335 /nfs/dbraw/zinc/57/03/35/689570335.db2.gz BDHFZXBQWMFZDS-LSDHHAIUSA-N 1 0 303.406 2.127 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccc(=O)[nH]c3)CC2)cc1F ZINC000876806881 689942965 /nfs/dbraw/zinc/94/29/65/689942965.db2.gz UZOYOABVZIXGSD-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2CC2)cc1C ZINC001034835478 689956922 /nfs/dbraw/zinc/95/69/22/689956922.db2.gz PTHKOTDAPVRXID-MRXNPFEDSA-N 1 0 302.418 2.494 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)/C=C/[C@H]2CCC[NH2+]C2)c1 ZINC000876879093 689962530 /nfs/dbraw/zinc/96/25/30/689962530.db2.gz NQIQORDHCBPBPU-DGYDABPTSA-N 1 0 304.390 2.134 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C\[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000876885557 689964448 /nfs/dbraw/zinc/96/44/48/689964448.db2.gz ORWCSRRPQROFGV-OYVUYXNMSA-N 1 0 304.390 2.222 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@@H](O)C3)cc2)CC1 ZINC000877058209 690009752 /nfs/dbraw/zinc/00/97/52/690009752.db2.gz GJAMQFNHKXCCRT-VQIMIIECSA-N 1 0 318.461 2.288 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000877505789 690134405 /nfs/dbraw/zinc/13/44/05/690134405.db2.gz ZAFZIXAADAMBSV-DOTOQJQBSA-N 1 0 305.418 2.358 20 10 DECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000877516356 690137443 /nfs/dbraw/zinc/13/74/43/690137443.db2.gz DEBFQTSPMPFJOZ-HNNXBMFYSA-N 1 0 317.433 2.470 20 10 DECDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519530 690139330 /nfs/dbraw/zinc/13/93/30/690139330.db2.gz KVWIJGXYUGEQDK-RDJZCZTQSA-N 1 0 318.461 2.410 20 10 DECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877553485 690149559 /nfs/dbraw/zinc/14/95/59/690149559.db2.gz TYSAYSMZTIWYFP-DNVCBOLYSA-N 1 0 318.461 2.288 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000877569483 690155243 /nfs/dbraw/zinc/15/52/43/690155243.db2.gz RSJQFMCFZOBFBB-INIZCTEOSA-N 1 0 309.431 2.101 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000877584382 690158797 /nfs/dbraw/zinc/15/87/97/690158797.db2.gz DVCJCVLKFIHJEN-INIZCTEOSA-N 1 0 321.417 2.206 20 10 DECDRO CN1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](CO)C1 ZINC000877644963 690177657 /nfs/dbraw/zinc/17/76/57/690177657.db2.gz WXEBMGCOQJUSJC-GOSISDBHSA-N 1 0 312.413 2.168 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H](OC)C3CC3)CC2)c(OC)c1 ZINC000877708199 690198700 /nfs/dbraw/zinc/19/87/00/690198700.db2.gz CYLQAWGPROHPGV-GOSISDBHSA-N 1 0 320.433 2.251 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)c1O ZINC000877722736 690204631 /nfs/dbraw/zinc/20/46/31/690204631.db2.gz HIWOZTJLRVOGNZ-OGHNNQOOSA-N 1 0 305.374 2.222 20 10 DECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877778108 690224745 /nfs/dbraw/zinc/22/47/45/690224745.db2.gz KBRLQBWTULMKCD-HOCLYGCPSA-N 1 0 306.450 2.287 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1OC ZINC000877804760 690236530 /nfs/dbraw/zinc/23/65/30/690236530.db2.gz CMZWHBCWUFHLEZ-WHOFXGATSA-N 1 0 307.390 2.457 20 10 DECDRO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923055 690261443 /nfs/dbraw/zinc/26/14/43/690261443.db2.gz INORXGDYVCKAQH-RDJZCZTQSA-N 1 0 304.434 2.380 20 10 DECDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000878420104 690402819 /nfs/dbraw/zinc/40/28/19/690402819.db2.gz LSDPXFXENPIVRA-CQSZACIVSA-N 1 0 316.449 2.036 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1O ZINC000883310040 691479891 /nfs/dbraw/zinc/47/98/91/691479891.db2.gz ZCQAVLWQPGHKKF-RYUDHWBXSA-N 1 0 313.419 2.019 20 10 DECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883353675 691486846 /nfs/dbraw/zinc/48/68/46/691486846.db2.gz AGDISCVECQDHET-GOEBONIOSA-N 1 0 321.440 2.407 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1 ZINC000886224293 692029070 /nfs/dbraw/zinc/02/90/70/692029070.db2.gz YMOQYOTYWFSTQZ-NBQNJAIASA-N 1 0 304.434 2.285 20 10 DECDRO O[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC000886258102 692037186 /nfs/dbraw/zinc/03/71/86/692037186.db2.gz VLVAVTBFTUWOFV-LUPIEILUSA-N 1 0 318.461 2.431 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1C ZINC000886292718 692046216 /nfs/dbraw/zinc/04/62/16/692046216.db2.gz WERGPXRVIWLEHC-DZGCQCFKSA-N 1 0 311.447 2.307 20 10 DECDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)O2)CO1 ZINC000886334332 692059516 /nfs/dbraw/zinc/05/95/16/692059516.db2.gz VNQCPDNSPNLFLT-MZMPZRCHSA-N 1 0 303.402 2.438 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CN4C[C@@H]3CCC4)CC2)cc1 ZINC000924907731 693200514 /nfs/dbraw/zinc/20/05/14/693200514.db2.gz RGHXUUFSDHNTQE-KXBFYZLASA-N 1 0 315.461 2.348 20 10 DECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925501501 693284392 /nfs/dbraw/zinc/28/43/92/693284392.db2.gz ISZYFTXJZMUHOK-GUYCJALGSA-N 1 0 321.440 2.017 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cnnn3C)C2)cc1 ZINC000926613042 693478853 /nfs/dbraw/zinc/47/88/53/693478853.db2.gz RPRUXORKNVIIKA-UONOGXRCSA-N 1 0 315.421 2.001 20 10 DECDRO Nc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC001334755115 1150339749 /nfs/dbraw/zinc/33/97/49/1150339749.db2.gz WNEFMIYGOLYOKF-UHFFFAOYSA-N 1 0 301.434 2.493 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001335369552 1150401677 /nfs/dbraw/zinc/40/16/77/1150401677.db2.gz WPLDOJAHSKTUJL-SHTZXODSSA-N 1 0 304.438 2.069 20 10 DECDRO C[C@H](NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC001357351628 1152292401 /nfs/dbraw/zinc/29/24/01/1152292401.db2.gz STDIJSUOAYTNKF-IJEWVQPXSA-N 1 0 318.465 2.358 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@H]2CCOC2)cc1C ZINC001125475696 777036143 /nfs/dbraw/zinc/03/61/43/777036143.db2.gz GCHOOMDZLBDETB-HNNXBMFYSA-N 1 0 320.433 2.026 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3CCO[C@H](C)C3)CC2)c(OC)c1 ZINC001168142372 780228629 /nfs/dbraw/zinc/22/86/29/780228629.db2.gz KYRTUVUZXIWAEF-CABCVRRESA-N 1 0 320.433 2.393 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001144515376 790942049 /nfs/dbraw/zinc/94/20/49/790942049.db2.gz LTASDMHNBIYBQY-HNNXBMFYSA-N 1 0 315.369 2.247 20 10 DECDRO CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685590 784540505 /nfs/dbraw/zinc/54/05/05/784540505.db2.gz VYFMXLVWYDICKV-RISCZKNCSA-N 1 0 317.393 2.309 20 10 DECDRO CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001169552351 785236530 /nfs/dbraw/zinc/23/65/30/785236530.db2.gz OLSNJLLTCFBYRI-SFHVURJKSA-N 1 0 301.434 2.339 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000691463133 785813456 /nfs/dbraw/zinc/81/34/56/785813456.db2.gz OHVYKDWTMKGSFM-GFCCVEGCSA-N 1 0 311.223 2.481 20 10 DECDRO C[N@H+](Cc1ccnc(N2CCOCC2)c1)Cc1ccccc1O ZINC001137439622 788358864 /nfs/dbraw/zinc/35/88/64/788358864.db2.gz ZXYFLOFANBYKNP-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c(F)cccc3C2)cc1O ZINC001171393382 792224964 /nfs/dbraw/zinc/22/49/64/792224964.db2.gz OXNMUGNDIQXKIQ-ACJLOTCBSA-N 1 0 317.360 2.417 20 10 DECDRO CC1(C[NH2+]Cc2ccc(Br)cc2O)OCCO1 ZINC000716916684 793021892 /nfs/dbraw/zinc/02/18/92/793021892.db2.gz QSIQZCDGJDWROL-UHFFFAOYSA-N 1 0 302.168 2.007 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c1O ZINC001171696058 793174382 /nfs/dbraw/zinc/17/43/82/793174382.db2.gz YYRHQUCFVBBBPW-ZDUSSCGKSA-N 1 0 320.389 2.326 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC3)C(=O)C2)cc1 ZINC001172020453 793291929 /nfs/dbraw/zinc/29/19/29/793291929.db2.gz YRAJUCPGGSTBBD-KRWDZBQOSA-N 1 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CN1CCCc2cc(C[NH+]3CCN(c4ccncn4)CC3)ccc21 ZINC001138355832 796204103 /nfs/dbraw/zinc/20/41/03/796204103.db2.gz DXZIKUDOZNQGDL-UHFFFAOYSA-N 1 0 323.444 2.181 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CCC(=O)N4CCC[C@@H]4C3)ccc21 ZINC001138359205 796205334 /nfs/dbraw/zinc/20/53/34/796205334.db2.gz NKWIGXQVLUHHMJ-QGZVFWFLSA-N 1 0 313.445 2.266 20 10 DECDRO Oc1cccc2c1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC001139094570 796321274 /nfs/dbraw/zinc/32/12/74/796321274.db2.gz DVOKQHMVSAAICH-UHFFFAOYSA-N 1 0 307.357 2.131 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC001186850211 796447038 /nfs/dbraw/zinc/44/70/38/796447038.db2.gz TVKVWAMMTCMTOK-GFCCVEGCSA-N 1 0 315.417 2.480 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001140055004 796470809 /nfs/dbraw/zinc/47/08/09/796470809.db2.gz DECBRDOMJFCZPU-UHFFFAOYSA-N 1 0 300.324 2.447 20 10 DECDRO CN1CC2(C1)CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001140103520 796476921 /nfs/dbraw/zinc/47/69/21/796476921.db2.gz NAZWSTXBXCIEIN-UHFFFAOYSA-N 1 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ZINC001141156913 796642425 /nfs/dbraw/zinc/64/24/25/796642425.db2.gz XQGVAQIMCLJSOE-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1O ZINC001143104705 796802751 /nfs/dbraw/zinc/80/27/51/796802751.db2.gz XWOXXJJFSDKAFV-GOSISDBHSA-N 1 0 302.418 2.402 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCCOC2)cc1C ZINC001151279036 797029599 /nfs/dbraw/zinc/02/95/99/797029599.db2.gz DMHZLYPKVXAHAX-INIZCTEOSA-N 1 0 320.433 2.026 20 10 DECDRO CN1CCc2c1cccc2C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001154158528 797475174 /nfs/dbraw/zinc/47/51/74/797475174.db2.gz VJKWUAMJHWXPCG-UHFFFAOYSA-N 1 0 313.376 2.424 20 10 DECDRO [NH3+]C[C@]1(F)CCCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001157763724 798273492 /nfs/dbraw/zinc/27/34/92/798273492.db2.gz DOXMWNGOPCLEIL-AWEZNQCLSA-N 1 0 316.760 2.044 20 10 DECDRO c1cnc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC001198166032 798291382 /nfs/dbraw/zinc/29/13/82/798291382.db2.gz XUTWRRUCDBAOFV-KRWDZBQOSA-N 1 0 324.428 2.303 20 10 DECDRO CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001138128410 799594252 /nfs/dbraw/zinc/59/42/52/799594252.db2.gz IDGDDTWOLKSKOO-UHFFFAOYSA-N 1 0 323.456 2.381 20 10 DECDRO Oc1ccccc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001203551864 800078413 /nfs/dbraw/zinc/07/84/13/800078413.db2.gz RCIRBXYEFKTNLG-IRXDYDNUSA-N 1 0 309.413 2.351 20 10 DECDRO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551785 800079052 /nfs/dbraw/zinc/07/90/52/800079052.db2.gz NYARPYHSFAXYPD-OAHLLOKOSA-N 1 0 301.390 2.262 20 10 DECDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC001203585110 800084507 /nfs/dbraw/zinc/08/45/07/800084507.db2.gz LXBYMFLSGVVEDL-HNNXBMFYSA-N 1 0 320.433 2.481 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c1O ZINC001203594136 800086273 /nfs/dbraw/zinc/08/62/73/800086273.db2.gz SRXSMQLAILYVML-GOSISDBHSA-N 1 0 318.417 2.378 20 10 DECDRO COc1cccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001203595479 800086539 /nfs/dbraw/zinc/08/65/39/800086539.db2.gz DAGLWMHRGWNLFJ-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CCN1CC2(CC1=O)CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203601655 800088497 /nfs/dbraw/zinc/08/84/97/800088497.db2.gz FMEBBTWRRWCGLO-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC001203621561 800091704 /nfs/dbraw/zinc/09/17/04/800091704.db2.gz XGTVPECRYXTCGE-ZDUSSCGKSA-N 1 0 303.362 2.472 20 10 DECDRO COc1ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c(O)c1 ZINC001203623903 800093239 /nfs/dbraw/zinc/09/32/39/800093239.db2.gz XYYYEFGOSASTEM-UHFFFAOYSA-N 1 0 319.405 2.031 20 10 DECDRO CC1=NC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C(=O)N1C ZINC001203665802 800103601 /nfs/dbraw/zinc/10/36/01/800103601.db2.gz VHDIAGUJEWWELR-UHFFFAOYSA-N 1 0 321.808 2.271 20 10 DECDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877303 800138196 /nfs/dbraw/zinc/13/81/96/800138196.db2.gz PKHVMADVGKHFRS-DLBZAZTESA-N 1 0 307.390 2.115 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001204276329 800199175 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Cc1cc(Br)cc(CN2C[C@@H]([NH3+])C3(CC3)C2)c1O ZINC001204911377 800273440 /nfs/dbraw/zinc/27/34/40/800273440.db2.gz IEYAWSOYLFUYEC-GFCCVEGCSA-N 1 0 311.223 2.386 20 10 DECDRO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205124743 800301249 /nfs/dbraw/zinc/30/12/49/800301249.db2.gz ZHNVTEVVMNXDAE-OAHLLOKOSA-N 1 0 323.868 2.490 20 10 DECDRO CC(=O)N1CCC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001208677526 801044976 /nfs/dbraw/zinc/04/49/76/801044976.db2.gz CJHVZYGZZPJYEX-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCCOCOC)CC2)cc1 ZINC001209030723 801116589 /nfs/dbraw/zinc/11/65/89/801116589.db2.gz BBPZTDBKTMVELK-UHFFFAOYSA-N 1 0 308.422 2.218 20 10 DECDRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1cccc(O)c1O ZINC001213896352 801653097 /nfs/dbraw/zinc/65/30/97/801653097.db2.gz QKTKSFUBFBCEBL-UHFFFAOYSA-N 1 0 315.373 2.260 20 10 DECDRO COc1cc(CN2CCC([N@H+](C)C3CC3)CC2)c(O)cc1O ZINC001231639690 801702416 /nfs/dbraw/zinc/70/24/16/801702416.db2.gz ZLYPATWYCYDZBH-UHFFFAOYSA-N 1 0 306.406 2.165 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)c1 ZINC001231847003 801735888 /nfs/dbraw/zinc/73/58/88/801735888.db2.gz UIMUSUVUDWXOQS-UHFFFAOYSA-N 1 0 304.390 2.426 20 10 DECDRO COc1cc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1Cl ZINC001232268028 801832776 /nfs/dbraw/zinc/83/27/76/801832776.db2.gz LHZCUTJBPFNQSV-MLGOLLRUSA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC3(COC3)C2)c2ccccc2n1C ZINC001232401649 801870230 /nfs/dbraw/zinc/87/02/30/801870230.db2.gz AKOXPOIQKVVRIZ-UHFFFAOYSA-N 1 0 314.385 2.187 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCO)Cc2ccccc2)c(O)c1 ZINC001232834936 801968008 /nfs/dbraw/zinc/96/80/08/801968008.db2.gz RCEMINAKUGNMJR-UHFFFAOYSA-N 1 0 300.402 2.453 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001232836578 801969551 /nfs/dbraw/zinc/96/95/51/801969551.db2.gz QHIWWVTVROJTCS-AWEZNQCLSA-N 1 0 318.339 2.205 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c(O)c1 ZINC001232841048 801970547 /nfs/dbraw/zinc/97/05/47/801970547.db2.gz QVJQYEPMUMLBAW-UHFFFAOYSA-N 1 0 317.433 2.045 20 10 DECDRO [O-]c1c(CN2CCN(c3cc[nH+]cc3)CC2)ccc(F)c1F ZINC001233074420 802021138 /nfs/dbraw/zinc/02/11/38/802021138.db2.gz QDQJDRAUGCPUEL-UHFFFAOYSA-N 1 0 305.328 2.388 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)CCC2OCCO2)c1O ZINC001233290254 802064234 /nfs/dbraw/zinc/06/42/34/802064234.db2.gz SBXNHUHPGAMGAX-UHFFFAOYSA-N 1 0 301.770 2.249 20 10 DECDRO CN(C1COC1)C1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286068 802064506 /nfs/dbraw/zinc/06/45/06/802064506.db2.gz DEKZDGBIWDUYFB-UHFFFAOYSA-N 1 0 304.434 2.205 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@H+]2CCc3nncn3CC2)c1 ZINC001233284283 802065093 /nfs/dbraw/zinc/06/50/93/802065093.db2.gz ORIKMOZEPFPVCU-UHFFFAOYSA-N 1 0 300.406 2.340 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(OC3CC[NH2+]CC3)ccc(O)c21 ZINC001217963863 802124864 /nfs/dbraw/zinc/12/48/64/802124864.db2.gz ARLJKMJLEPMNCJ-UHFFFAOYSA-N 1 0 323.348 2.298 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001217966069 802125327 /nfs/dbraw/zinc/12/53/27/802125327.db2.gz WSNLLJZRIJALFM-BMIGLBTASA-N 1 0 323.348 2.154 20 10 DECDRO Oc1cc(O)c(CN2CC[NH+](C3CCCCC3)CC2)cc1O ZINC001233482529 802125535 /nfs/dbraw/zinc/12/55/35/802125535.db2.gz RDXKBWCMBGICOD-UHFFFAOYSA-N 1 0 306.406 2.254 20 10 DECDRO CCc1noc([C@H]2CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486361 802127507 /nfs/dbraw/zinc/12/75/07/802127507.db2.gz KHQFUGDPLKPFGM-JTQLQIEISA-N 1 0 319.361 2.128 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001218033502 802134456 /nfs/dbraw/zinc/13/44/56/802134456.db2.gz AFDDHIGZQBRWJP-PIGZYNQJSA-N 1 0 307.349 2.449 20 10 DECDRO Cc1cc(O[C@@H]2C[NH2+][C@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218384284 802175170 /nfs/dbraw/zinc/17/51/70/802175170.db2.gz IXAUGCAYYNPXLO-ZUZCIYMTSA-N 1 0 323.348 2.215 20 10 DECDRO CO[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1OC ZINC001233727678 802191010 /nfs/dbraw/zinc/19/10/10/802191010.db2.gz OBNNMNSBXXRYEL-TXEJJXNPSA-N 1 0 321.295 2.136 20 10 DECDRO Nc1ccc(CC(=O)Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001219236694 802301400 /nfs/dbraw/zinc/30/14/00/802301400.db2.gz YSIWTFIVMMFSAP-INIZCTEOSA-N 1 0 324.428 2.378 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)NC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001219775901 802376645 /nfs/dbraw/zinc/37/66/45/802376645.db2.gz PZOYFUPBEAWCKH-VMPITWQZSA-N 1 0 313.445 2.414 20 10 DECDRO [NH3+][C@H](CC(=O)NCc1ccccc1O)Cc1c[nH]c2ccccc12 ZINC001219923324 802390435 /nfs/dbraw/zinc/39/04/35/802390435.db2.gz IFSCAOQDNFQBQC-HNNXBMFYSA-N 1 0 323.396 2.450 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000315015891 802442365 /nfs/dbraw/zinc/44/23/65/802442365.db2.gz UZPHFLDHEITPQP-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cc(CN2CCC[C@]23CCC[NH2+]C3)c(O)c(OC)c1 ZINC001222259554 802662869 /nfs/dbraw/zinc/66/28/69/802662869.db2.gz SSLKLJBLWLBPBU-KRWDZBQOSA-N 1 0 306.406 2.127 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)c(O)c1OC ZINC001334172706 1150218906 /nfs/dbraw/zinc/21/89/06/1150218906.db2.gz QIUVWDZVXDNOSN-SNVBAGLBSA-N 1 0 309.284 2.076 20 10 DECDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N)cc2)CC1 ZINC001335736550 1150515520 /nfs/dbraw/zinc/51/55/20/1150515520.db2.gz DMSKSQCEQLKRSM-UHFFFAOYSA-N 1 0 304.438 2.285 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1O ZINC001331579012 1149540739 /nfs/dbraw/zinc/54/07/39/1149540739.db2.gz FXLATGXYMYSKSD-ZDUSSCGKSA-N 1 0 324.808 2.155 20 10 DECDRO Cc1cc(C(=O)NOC[C@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC001343797272 1150773646 /nfs/dbraw/zinc/77/36/46/1150773646.db2.gz DIVWMDVSKJTOQF-LBPRGKRZSA-N 1 0 301.390 2.411 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC001346161666 1150947004 /nfs/dbraw/zinc/94/70/04/1150947004.db2.gz DEFOXNMGNUWUQA-CRAIPNDOSA-N 1 0 316.449 2.166 20 10 DECDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001453496313 1057298027 /nfs/dbraw/zinc/29/80/27/1057298027.db2.gz WABSJFQCQVZRKX-GFCCVEGCSA-N 1 0 317.393 2.311 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900114 1059383407 /nfs/dbraw/zinc/38/34/07/1059383407.db2.gz NQQGATRHLYQTCH-QMTHXVAHSA-N 1 0 315.377 2.062 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001466791543 1059539260 /nfs/dbraw/zinc/53/92/60/1059539260.db2.gz UZGQWLPBYWFXJF-YUELXQCFSA-N 1 0 320.433 2.265 20 10 DECDRO CCOCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505549807 1060700683 /nfs/dbraw/zinc/70/06/83/1060700683.db2.gz BSMWEWSKSPNFOJ-ZIAGYGMSSA-N 1 0 308.422 2.023 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@H](C)[S@@](C)=O)ccc1OC ZINC001474043833 1060803349 /nfs/dbraw/zinc/80/33/49/1060803349.db2.gz VJSXPUZJFKPYDS-YEJXKQKISA-N 1 0 313.463 2.478 20 10 DECDRO COc1cc(C)c(C[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC001474465429 1060876868 /nfs/dbraw/zinc/87/68/68/1060876868.db2.gz QAMSKQRROFIHKU-UHFFFAOYSA-N 1 0 315.435 2.014 20 10 DECDRO CCc1cccc(C[NH2+]Cc2ccc(-c3nncnn3)cc2)c1O ZINC001474609482 1060901919 /nfs/dbraw/zinc/90/19/19/1060901919.db2.gz UBQASZPDUMUCTN-UHFFFAOYSA-N 1 0 321.384 2.491 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCOC2)cc1C ZINC001568611993 1064992013 /nfs/dbraw/zinc/99/20/13/1064992013.db2.gz LRFXAPDIOGRPPE-GOEBONIOSA-N 1 0 320.433 2.025 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(Cl)cc1O ZINC001621367418 1078173271 /nfs/dbraw/zinc/17/32/71/1078173271.db2.gz CUGLGQIZKRKZPC-NSHDSACASA-N 1 0 302.827 2.003 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001630809529 1078350168 /nfs/dbraw/zinc/35/01/68/1078350168.db2.gz OJSTVVFQQGEHCJ-CYBMUJFWSA-N 1 0 320.389 2.250 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632762369 1078390772 /nfs/dbraw/zinc/39/07/72/1078390772.db2.gz ZVTVBTWKOWXLKJ-ZDUSSCGKSA-N 1 0 317.393 2.452 20 10 DECDRO CN(Cc1ccccc1O)C(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC001578496678 1067118644 /nfs/dbraw/zinc/11/86/44/1067118644.db2.gz NQHAXKJHPWIZSD-UUCFBXCCSA-N 1 0 320.458 2.354 20 10 DECDRO [NH3+]C[C@H](NCc1ccc(Br)cc1O)C(F)(F)F ZINC001580229881 1067532013 /nfs/dbraw/zinc/53/20/13/1067532013.db2.gz VGWMCCCIBNGUGN-VIFPVBQESA-N 1 0 313.117 2.134 20 10 DECDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001580258526 1067545428 /nfs/dbraw/zinc/54/54/28/1067545428.db2.gz SSNHIPYFPATUAZ-PSASIEDQSA-N 1 0 306.387 2.170 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[NH2+]CC23CCCC3)c1 ZINC001521195197 1069215866 /nfs/dbraw/zinc/21/58/66/1069215866.db2.gz OULTUOSFDFQHBO-NHYWBVRUSA-N 1 0 304.390 2.110 20 10 DECDRO C[NH+]1CCC(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001542736366 1072464975 /nfs/dbraw/zinc/46/49/75/1072464975.db2.gz GFDGDKGTPVXLGD-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO CCN(C)c1ccc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)cc1 ZINC001648535502 1075000718 /nfs/dbraw/zinc/00/07/18/1075000718.db2.gz RHKXNXQTXKYMIV-DOTOQJQBSA-N 1 0 322.474 2.009 20 10 DECDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001648780004 1075009468 /nfs/dbraw/zinc/00/94/68/1075009468.db2.gz RNKNYRDZPRSBCI-AWEZNQCLSA-N 1 0 318.396 2.037 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC001560800131 1075145988 /nfs/dbraw/zinc/14/59/88/1075145988.db2.gz GCLDBOXXCCETEX-GJZGRUSLSA-N 1 0 306.450 2.403 20 10 DECDRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccn1)c1ccc(N(C)C)cc1 ZINC001589966363 1076539450 /nfs/dbraw/zinc/53/94/50/1076539450.db2.gz TULRPBIAFBJNGP-LBPRGKRZSA-N 1 0 323.404 2.179 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c(O)c1C ZINC001609420643 1077855974 /nfs/dbraw/zinc/85/59/74/1077855974.db2.gz QTFOZDOMLLGWJS-LBPRGKRZSA-N 1 0 324.388 2.435 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001651240428 1079798271 /nfs/dbraw/zinc/79/82/71/1079798271.db2.gz XHHMHSGKBGRGAB-GFCCVEGCSA-N 1 0 315.348 2.069 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC001658123376 1080197952 /nfs/dbraw/zinc/19/79/52/1080197952.db2.gz URUULCFCRWUPJI-GOEBONIOSA-N 1 0 302.418 2.364 20 10 DECDRO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001658198864 1080201550 /nfs/dbraw/zinc/20/15/50/1080201550.db2.gz XJQHFLUREXLIAM-HNNXBMFYSA-N 1 0 322.449 2.400 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c1 ZINC001658697338 1080214660 /nfs/dbraw/zinc/21/46/60/1080214660.db2.gz WYGVAKGCPQDFNS-UHFFFAOYSA-N 1 0 314.341 2.136 20 10 DECDRO COc1cc(O)c(CN(C)CC[NH+](C)C)c(Br)c1 ZINC001237058760 1080411822 /nfs/dbraw/zinc/41/18/22/1080411822.db2.gz BRMXRAGUQSRWFC-UHFFFAOYSA-N 1 0 317.227 2.157 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC001661680062 1080506492 /nfs/dbraw/zinc/50/64/92/1080506492.db2.gz BCHMFDUYGJVWCD-CQSZACIVSA-N 1 0 314.433 2.380 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](O)C(C)C)cc1C ZINC001662913670 1080675700 /nfs/dbraw/zinc/67/57/00/1080675700.db2.gz BGKZZJMJPOWFRW-WMLDXEAASA-N 1 0 322.449 2.005 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2nccs2)cc1C ZINC001664264366 1080884290 /nfs/dbraw/zinc/88/42/90/1080884290.db2.gz ORVBIIVOYRZUBS-UHFFFAOYSA-N 1 0 319.430 2.322 20 10 DECDRO O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001269608181 1081304946 /nfs/dbraw/zinc/30/49/46/1081304946.db2.gz YMHSOOBAQOLTGX-OKILXGFUSA-N 1 0 316.401 2.329 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c[nH]1 ZINC001648966159 1081960931 /nfs/dbraw/zinc/96/09/31/1081960931.db2.gz ZXLWNCHEGPXMDT-UHFFFAOYSA-N 1 0 305.353 2.296 20 10 DECDRO CCC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272184940 1082625489 /nfs/dbraw/zinc/62/54/89/1082625489.db2.gz FZOQORDIGLPXKC-UHFFFAOYSA-N 1 0 305.382 2.263 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)cc1 ZINC001276960409 1083703442 /nfs/dbraw/zinc/70/34/42/1083703442.db2.gz HUKVQVBELREMJJ-VQIMIIECSA-N 1 0 315.461 2.443 20 10 DECDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c(C)c1 ZINC001277023294 1083735828 /nfs/dbraw/zinc/73/58/28/1083735828.db2.gz XECYXGIFIMCOBK-ROUUACIJSA-N 1 0 303.450 2.218 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)cc1 ZINC001277207315 1083846967 /nfs/dbraw/zinc/84/69/67/1083846967.db2.gz RPZYMKHLMNMBLM-VQIMIIECSA-N 1 0 309.413 2.401 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)OC)cc1C ZINC001277770702 1084141337 /nfs/dbraw/zinc/14/13/37/1084141337.db2.gz HMOSSKZVQJEEGO-CABCVRRESA-N 1 0 322.449 2.365 20 10 DECDRO Cc1cc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1Br ZINC001235172519 1084334679 /nfs/dbraw/zinc/33/46/79/1084334679.db2.gz HLWGZBRXXNHTNN-SMDDNHRTSA-N 1 0 311.223 2.386 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001235680092 1084495514 /nfs/dbraw/zinc/49/55/14/1084495514.db2.gz SDFJJXUFKNGMKR-OAHLLOKOSA-N 1 0 302.418 2.496 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235681672 1084496822 /nfs/dbraw/zinc/49/68/22/1084496822.db2.gz PIJPKKBFWIFLIB-UHFFFAOYSA-N 1 0 321.417 2.190 20 10 DECDRO CC1(C)C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001235827745 1084540581 /nfs/dbraw/zinc/54/05/81/1084540581.db2.gz PQALOOMPTOFQNL-UHFFFAOYSA-N 1 0 323.868 2.360 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(OC)c1 ZINC001235978447 1084578855 /nfs/dbraw/zinc/57/88/55/1084578855.db2.gz JGKVUYIHRJKWIW-QAPCUYQASA-N 1 0 303.450 2.465 20 10 DECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976891 1084580034 /nfs/dbraw/zinc/58/00/34/1084580034.db2.gz DKZAYNCQNLKMJK-BEFAXECRSA-N 1 0 313.445 2.014 20 10 DECDRO Cc1cc(CN(C2CC2)C2C[NH2+]C2)c(O)cc1Br ZINC001236063410 1084601595 /nfs/dbraw/zinc/60/15/95/1084601595.db2.gz HNVXKGYKOKNHGQ-UHFFFAOYSA-N 1 0 311.223 2.399 20 10 DECDRO CN(Cc1cc2c3c(c1O)CCCN3CCC2)C[C@@H]1CCC[NH2+]1 ZINC001236119488 1084616072 /nfs/dbraw/zinc/61/60/72/1084616072.db2.gz VGKPJOCGYLSQNA-INIZCTEOSA-N 1 0 315.461 2.275 20 10 DECDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001272982060 1085777047 /nfs/dbraw/zinc/77/70/47/1085777047.db2.gz DEYGFSPLEGYDSJ-HZPDHXFCSA-N 1 0 318.417 2.463 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c3c(nn2C)CCOC3)c1 ZINC000922217997 1085851368 /nfs/dbraw/zinc/85/13/68/1085851368.db2.gz ZADQLCGLXJLAEU-NSHDSACASA-N 1 0 317.389 2.058 20 10 DECDRO COC(=O)C1(C)CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001168752924 1086375412 /nfs/dbraw/zinc/37/54/12/1086375412.db2.gz WJKFJRKQHNYJCQ-UHFFFAOYSA-N 1 0 323.389 2.057 20 10 DECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706834239 1086652342 /nfs/dbraw/zinc/65/23/42/1086652342.db2.gz PPMVQQLGXGCLGJ-PRHODGIISA-N 1 0 320.252 2.357 20 10 DECDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001274400149 1091225329 /nfs/dbraw/zinc/22/53/29/1091225329.db2.gz XOZNYPUUODMTQR-INIZCTEOSA-N 1 0 308.809 2.408 20 10 DECDRO COc1cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091004 1091536091 /nfs/dbraw/zinc/53/60/91/1091536091.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 1 0 320.433 2.414 20 10 DECDRO C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009256 1092503759 /nfs/dbraw/zinc/50/37/59/1092503759.db2.gz NESJXOIUVBSNPN-KRWDZBQOSA-N 1 0 304.390 2.008 20 10 DECDRO CC(C)(C)c1cccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c1O ZINC001236166457 1138336040 /nfs/dbraw/zinc/33/60/40/1138336040.db2.gz RKVCXBBSXDEZQU-MRXNPFEDSA-N 1 0 318.461 2.379 20 10 DECDRO CCC1([NH3+])CN(Cc2c(O)cc(OC)cc2Br)C1 ZINC001236185936 1138338633 /nfs/dbraw/zinc/33/86/33/1138338633.db2.gz CYEFNUZTONAHRQ-UHFFFAOYSA-N 1 0 315.211 2.086 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC001236579844 1138377688 /nfs/dbraw/zinc/37/76/88/1138377688.db2.gz WLMHJSALIDSOIN-ZIAGYGMSSA-N 1 0 323.868 2.359 20 10 DECDRO CCc1ccc(CN2CC[NH+](CCC(C)(C)O)CC2)c(O)c1 ZINC001236786428 1138427374 /nfs/dbraw/zinc/42/73/74/1138427374.db2.gz BWMSRNXSNFABLA-UHFFFAOYSA-N 1 0 306.450 2.233 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c(Cl)c1 ZINC001236806667 1138434101 /nfs/dbraw/zinc/43/41/01/1138434101.db2.gz YTSUTSROPIYETR-LLVKDONJSA-N 1 0 324.808 2.251 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236812539 1138437473 /nfs/dbraw/zinc/43/74/73/1138437473.db2.gz BDMRQULHHVEIIZ-CZUORRHYSA-N 1 0 318.417 2.152 20 10 DECDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236834683 1138441918 /nfs/dbraw/zinc/44/19/18/1138441918.db2.gz AUHMAYCUIUVRCQ-OAHLLOKOSA-N 1 0 305.399 2.164 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(n3cnnc3)CC2)c(O)c1 ZINC001237044563 1138487746 /nfs/dbraw/zinc/48/77/46/1138487746.db2.gz PMPKDNBNEWNPBQ-UHFFFAOYSA-N 1 0 302.378 2.220 20 10 DECDRO C[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC(C)(C)C ZINC001237211371 1138536247 /nfs/dbraw/zinc/53/62/47/1138536247.db2.gz FUIQIARVVWQBLK-UHFFFAOYSA-N 1 0 324.490 2.399 20 10 DECDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001319841515 1140759447 /nfs/dbraw/zinc/75/94/47/1140759447.db2.gz JFFVPFNUCNBBMD-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320667667 1140891934 /nfs/dbraw/zinc/89/19/34/1140891934.db2.gz CBFFBPATJUIZRW-CABCVRRESA-N 1 0 308.397 2.319 20 10 DECDRO COc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2C)c1O ZINC001320839342 1140949233 /nfs/dbraw/zinc/94/92/33/1140949233.db2.gz LDXJVEMWHPKAIL-UHFFFAOYSA-N 1 0 311.341 2.287 20 10 DECDRO C[C@H]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC001246789840 1141061904 /nfs/dbraw/zinc/06/19/04/1141061904.db2.gz KFKZNZFKCYUKSJ-MAUKXSAKSA-N 1 0 303.450 2.096 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c(C)c1 ZINC001246933900 1141145201 /nfs/dbraw/zinc/14/52/01/1141145201.db2.gz LABLABAFXZZCOC-HZPDHXFCSA-N 1 0 303.450 2.266 20 10 DECDRO COCCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201098 1141859364 /nfs/dbraw/zinc/85/93/64/1141859364.db2.gz FGGVLSANDWHPRZ-UHFFFAOYSA-N 1 0 321.417 2.356 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@H]3C(N)=O)ccc2O1 ZINC001249244670 1141864035 /nfs/dbraw/zinc/86/40/35/1141864035.db2.gz LOZRKYCGBZVZRI-AWEZNQCLSA-N 1 0 316.401 2.416 20 10 DECDRO COCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001324103146 1142007426 /nfs/dbraw/zinc/00/74/26/1142007426.db2.gz OKFHKWUYGFSERJ-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC001336290026 1142395768 /nfs/dbraw/zinc/39/57/68/1142395768.db2.gz GBDVFSAOGNSHKZ-KRWDZBQOSA-N 1 0 316.449 2.429 20 10 DECDRO CC[NH+](CC)C[C@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001253203273 1142853431 /nfs/dbraw/zinc/85/34/31/1142853431.db2.gz FCCYXGNDWHFNKS-LJQANCHMSA-N 1 0 319.493 2.469 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254328669 1143083316 /nfs/dbraw/zinc/08/33/16/1143083316.db2.gz WCQCZAKMSYRURL-LRDDRELGSA-N 1 0 323.458 2.409 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1cccc2c1OCC[NH2+]C2 ZINC001339973749 1143216190 /nfs/dbraw/zinc/21/61/90/1143216190.db2.gz GWHFMJOYBCMNCA-UHFFFAOYSA-N 1 0 312.369 2.146 20 10 DECDRO CN1CCCc2cc(CNC(=O)c3ccccc3C[NH3+])ccc21 ZINC001340060562 1143249442 /nfs/dbraw/zinc/24/94/42/1143249442.db2.gz CRMFWADATUXESR-UHFFFAOYSA-N 1 0 309.413 2.458 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CC[NH3+])cc2)c1 ZINC001340197927 1143299543 /nfs/dbraw/zinc/29/95/43/1143299543.db2.gz BUTZZVSSHFYORF-GFCCVEGCSA-N 1 0 314.385 2.393 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)c1cnn(C)c1 ZINC001254721294 1143315707 /nfs/dbraw/zinc/31/57/07/1143315707.db2.gz OWGFEHBJEAERGF-ZLDLUXBVSA-N 1 0 301.390 2.306 20 10 DECDRO [NH3+]Cc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC001341569190 1143629192 /nfs/dbraw/zinc/62/91/92/1143629192.db2.gz JTGZZZZJNJUHCD-UHFFFAOYSA-N 1 0 311.385 2.234 20 10 DECDRO CCCCOC(=O)CC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001257385207 1143903039 /nfs/dbraw/zinc/90/30/39/1143903039.db2.gz FMOJOAGQKLFOFJ-LBPRGKRZSA-N 1 0 323.389 2.382 20 10 DECDRO CN(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1 ZINC001307840314 1147435858 /nfs/dbraw/zinc/43/58/58/1147435858.db2.gz AROPZPZTBKYMJD-RBUKOAKNSA-N 1 0 323.440 2.454 20 10 DECDRO c1cn2c(cccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC001308225463 1147456920 /nfs/dbraw/zinc/45/69/20/1147456920.db2.gz SOCHVRFSPWEHGV-UHFFFAOYSA-N 1 0 322.412 2.461 20 10 DECDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001308371121 1147470390 /nfs/dbraw/zinc/47/03/90/1147470390.db2.gz LBZWTBGWUKBNDO-KRWDZBQOSA-N 1 0 310.397 2.068 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001326408604 1148093976 /nfs/dbraw/zinc/09/39/76/1148093976.db2.gz OINGRKHETLTGGD-UHFFFAOYSA-N 1 0 321.384 2.263 20 10 DECDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154602934 529378545 /nfs/dbraw/zinc/37/85/45/529378545.db2.gz APBALTYHVDRLFM-GUYCJALGSA-N 1 0 310.413 2.474 20 10 DECDRO CN1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000376055474 530051312 /nfs/dbraw/zinc/05/13/12/530051312.db2.gz QYGDLEUFJVBYRN-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862405 354227977 /nfs/dbraw/zinc/22/79/77/354227977.db2.gz FETRSYAPDGICQY-HNNXBMFYSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000273609677 130144455 /nfs/dbraw/zinc/14/44/55/130144455.db2.gz VMPSPIWFTTUCLY-SCZZXKLOSA-N 1 0 313.195 2.036 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000274403060 130232251 /nfs/dbraw/zinc/23/22/51/130232251.db2.gz BJTTXTYDTXDRSP-ZDUSSCGKSA-N 1 0 309.385 2.212 20 10 DECDRO CCOC(=O)[C@@](C)(O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000274594131 130247367 /nfs/dbraw/zinc/24/73/67/130247367.db2.gz KTSBLPMKQKDZBW-SFHVURJKSA-N 1 0 322.449 2.277 20 10 DECDRO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285524994 131177426 /nfs/dbraw/zinc/17/74/26/131177426.db2.gz BJUCVDVYJXIZGO-XJKSGUPXSA-N 1 0 309.429 2.208 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(O)c1O ZINC000286913400 131255262 /nfs/dbraw/zinc/25/52/62/131255262.db2.gz CYPJVTHEFPEVLQ-TZMCWYRMSA-N 1 0 304.390 2.105 20 10 DECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286986903 131259205 /nfs/dbraw/zinc/25/92/05/131259205.db2.gz GWOUIDNCIOTARM-KSLFURFDSA-N 1 0 316.401 2.196 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000288427562 131325324 /nfs/dbraw/zinc/32/53/24/131325324.db2.gz BMRIVGQDBPDPHO-RDTXWAMCSA-N 1 0 315.369 2.375 20 10 DECDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000290047220 131448162 /nfs/dbraw/zinc/44/81/62/131448162.db2.gz DXKQKLDCLLMEHS-BBRMVZONSA-N 1 0 307.413 2.142 20 10 DECDRO Cc1cc(C(=O)NC[C@H](C)C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000292483086 131653758 /nfs/dbraw/zinc/65/37/58/131653758.db2.gz VYFIKUSQZADZSS-ZDUSSCGKSA-N 1 0 314.433 2.417 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1O ZINC000111399361 401714239 /nfs/dbraw/zinc/71/42/39/401714239.db2.gz RQBQMERCQCSYBA-GFCCVEGCSA-N 1 0 318.373 2.178 20 10 DECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccc1O ZINC000076312804 401790299 /nfs/dbraw/zinc/79/02/99/401790299.db2.gz UQQBDMJTYGXOBU-KRWDZBQOSA-N 1 0 320.433 2.144 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN2CCOCC2)cc1 ZINC000078969505 401868837 /nfs/dbraw/zinc/86/88/37/401868837.db2.gz MZHFRIZXGTVFJM-INIZCTEOSA-N 1 0 305.466 2.343 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](COCCOC)C2)c1O ZINC000093754733 402019415 /nfs/dbraw/zinc/01/94/15/402019415.db2.gz HBMRDSDIMCUYGP-AWEZNQCLSA-N 1 0 309.406 2.276 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCc2ccccn2)cc1OC ZINC000120784474 402002309 /nfs/dbraw/zinc/00/23/09/402002309.db2.gz HCLKELHDIQYNGC-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092218113 402003296 /nfs/dbraw/zinc/00/32/96/402003296.db2.gz AXNKMPYTMDRILW-HNNXBMFYSA-N 1 0 310.825 2.342 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000152720557 402105479 /nfs/dbraw/zinc/10/54/79/402105479.db2.gz MWGHKKCGZOPVAI-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153186303 402131473 /nfs/dbraw/zinc/13/14/73/402131473.db2.gz LQCBANHGXZREJJ-UONOGXRCSA-N 1 0 308.397 2.349 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000066870142 402144941 /nfs/dbraw/zinc/14/49/41/402144941.db2.gz WEUZYUHDQYJVME-UHFFFAOYSA-N 1 0 321.398 2.094 20 10 DECDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000068962512 402210046 /nfs/dbraw/zinc/21/00/46/402210046.db2.gz GAKBEHSFTYBOKN-LLVKDONJSA-N 1 0 317.345 2.192 20 10 DECDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000068962516 402210094 /nfs/dbraw/zinc/21/00/94/402210094.db2.gz GAKBEHSFTYBOKN-NSHDSACASA-N 1 0 317.345 2.192 20 10 DECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184693247 402292215 /nfs/dbraw/zinc/29/22/15/402292215.db2.gz MXBGPJXFYQFCCQ-JTQLQIEISA-N 1 0 312.797 2.012 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000160115192 402336322 /nfs/dbraw/zinc/33/63/22/402336322.db2.gz QWDNXDYYWURFNN-AWEZNQCLSA-N 1 0 306.406 2.080 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000186375204 402426262 /nfs/dbraw/zinc/42/62/62/402426262.db2.gz GRXJYBILAKSDIV-KGLIPLIRSA-N 1 0 307.390 2.273 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000179466427 402590720 /nfs/dbraw/zinc/59/07/20/402590720.db2.gz KAXMJRUUVGOBMA-AWEZNQCLSA-N 1 0 302.378 2.220 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCCn3ccnc3)CC2)cc1 ZINC000183164982 402743770 /nfs/dbraw/zinc/74/37/70/402743770.db2.gz REMRCUABJZFREP-UHFFFAOYSA-N 1 0 314.433 2.494 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1F ZINC000193684733 402775463 /nfs/dbraw/zinc/77/54/63/402775463.db2.gz LUBWEJHZBIBSCG-MLGOLLRUSA-N 1 0 307.413 2.286 20 10 DECDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000175199763 402786902 /nfs/dbraw/zinc/78/69/02/402786902.db2.gz LKERLLAKXCRWAY-UHFFFAOYSA-N 1 0 306.454 2.284 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278473341 402866355 /nfs/dbraw/zinc/86/63/55/402866355.db2.gz HULIHVCRBIDRDJ-INIZCTEOSA-N 1 0 313.449 2.245 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1OC ZINC000278664596 402869605 /nfs/dbraw/zinc/86/96/05/402869605.db2.gz LAGQAAQPNQBQKY-HNNXBMFYSA-N 1 0 321.348 2.372 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC000271813455 402884551 /nfs/dbraw/zinc/88/45/51/402884551.db2.gz MHEDKCAMPJETOB-CVEARBPZSA-N 1 0 305.418 2.453 20 10 DECDRO C[C@@H]1OCC[C@@]12CN(Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC000279625933 402960395 /nfs/dbraw/zinc/96/03/95/402960395.db2.gz HLAGEDOLOPQMEY-SUMWQHHRSA-N 1 0 308.397 2.272 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000279647885 402960771 /nfs/dbraw/zinc/96/07/71/402960771.db2.gz KAUJNHXDPKTYTO-OAHLLOKOSA-N 1 0 310.350 2.046 20 10 DECDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279696915 402961078 /nfs/dbraw/zinc/96/10/78/402961078.db2.gz RIZSCXZUOCKECU-UHFFFAOYSA-N 1 0 317.355 2.339 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(O)c1O ZINC000272875910 402961203 /nfs/dbraw/zinc/96/12/03/402961203.db2.gz XABVTARCFYLHST-CYBMUJFWSA-N 1 0 304.390 2.107 20 10 DECDRO CC(=O)NCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279849440 402964250 /nfs/dbraw/zinc/96/42/50/402964250.db2.gz 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Cn1cc(C(=O)N2CCc3ccccc32)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333811405 226110649 /nfs/dbraw/zinc/11/06/49/226110649.db2.gz JJIWZMPEHLWHGU-CQSZACIVSA-N 1 0 310.401 2.090 20 10 DECDRO CN(C)C(=O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375681821 227154629 /nfs/dbraw/zinc/15/46/29/227154629.db2.gz ZDZNTUKOLNQHEJ-UHFFFAOYSA-N 1 0 323.440 2.427 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH2+]C1CC1 ZINC000418096258 229217306 /nfs/dbraw/zinc/21/73/06/229217306.db2.gz ICHZSYHZFPVHIX-UHFFFAOYSA-N 1 0 314.433 2.428 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418103931 229221643 /nfs/dbraw/zinc/22/16/43/229221643.db2.gz XAXUVXFXVCZNBF-IUODEOHRSA-N 1 0 314.433 2.284 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000834849984 649854255 /nfs/dbraw/zinc/85/42/55/649854255.db2.gz HXZUZOZIZKXXPW-CRAIPNDOSA-N 1 0 305.466 2.250 20 10 DECDRO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CCc2ccc(Cl)cc21 ZINC000662422909 425647293 /nfs/dbraw/zinc/64/72/93/425647293.db2.gz RUIXSUHLVYPJDR-LLVKDONJSA-N 1 0 316.792 2.343 20 10 DECDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000315422336 337986894 /nfs/dbraw/zinc/98/68/94/337986894.db2.gz ISVSXBSKCRRFHB-WFASDCNBSA-N 1 0 301.390 2.309 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001357160694 1152261166 /nfs/dbraw/zinc/26/11/66/1152261166.db2.gz PPTFWVVZSYNDFB-LBPRGKRZSA-N 1 0 311.813 2.329 20 10 DECDRO C[NH2+]C1CC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC001357487421 1152303527 /nfs/dbraw/zinc/30/35/27/1152303527.db2.gz SLBAWSYSMMBTNR-UHFFFAOYSA-N 1 0 303.450 2.488 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000280934667 533821252 /nfs/dbraw/zinc/82/12/52/533821252.db2.gz RZFIPIAJAUZPND-JTQLQIEISA-N 1 0 312.360 2.303 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCN2CCSCC2)c1O ZINC000230935568 533953125 /nfs/dbraw/zinc/95/31/25/533953125.db2.gz COFYTYIVSVAEFY-UHFFFAOYSA-N 1 0 316.854 2.193 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000369093644 534198577 /nfs/dbraw/zinc/19/85/77/534198577.db2.gz WSPRLRRENHPOEV-MRXNPFEDSA-N 1 0 317.389 2.070 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCOC[C@@H]2CCOC2)cc1 ZINC000835035496 649869927 /nfs/dbraw/zinc/86/99/27/649869927.db2.gz DGMQDXACVUQQNP-CWIOURORSA-N 1 0 304.434 2.409 20 10 DECDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000181007222 519709191 /nfs/dbraw/zinc/70/91/91/519709191.db2.gz BEQDIWXPAUOKJL-SECBINFHSA-N 1 0 315.211 2.330 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1F ZINC000236912585 520901972 /nfs/dbraw/zinc/90/19/72/520901972.db2.gz NPGCEJVWCJPQCO-KRWDZBQOSA-N 1 0 307.413 2.288 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000366331144 521272530 /nfs/dbraw/zinc/27/25/30/521272530.db2.gz UJIHOIOCWABPHL-SFHVURJKSA-N 1 0 319.449 2.251 20 10 DECDRO COCCCOC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000180354147 523385424 /nfs/dbraw/zinc/38/54/24/523385424.db2.gz ZXNORNXUBQWHHO-UHFFFAOYSA-N 1 0 309.406 2.418 20 10 DECDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237721157 524085707 /nfs/dbraw/zinc/08/57/07/524085707.db2.gz IVCQERBHPRUACO-HNNXBMFYSA-N 1 0 303.450 2.440 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN3C)CC2)cc1 ZINC000154572909 524403705 /nfs/dbraw/zinc/40/37/05/524403705.db2.gz YRZXXUDYMSJDIA-QGZVFWFLSA-N 1 0 303.450 2.348 20 10 DECDRO C[C@@H]1CSCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000190462882 525167399 /nfs/dbraw/zinc/16/73/99/525167399.db2.gz FIHSPKJPBIHEFA-AWEZNQCLSA-N 1 0 321.490 2.054 20 10 DECDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000127779999 525467753 /nfs/dbraw/zinc/46/77/53/525467753.db2.gz RAHPBGCOHRCDIU-OAHLLOKOSA-N 1 0 314.433 2.150 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000237645002 526261835 /nfs/dbraw/zinc/26/18/35/526261835.db2.gz BXCYTXMISLFAAQ-OCCSQVGLSA-N 1 0 312.417 2.312 20 10 DECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040418 649870305 /nfs/dbraw/zinc/87/03/05/649870305.db2.gz PCCRKEFBCYOUCE-LMVHVUTASA-N 1 0 310.463 2.179 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000835046913 649871266 /nfs/dbraw/zinc/87/12/66/649871266.db2.gz NEQVCDDBZLKIOL-DDKKJVIOSA-N 1 0 302.418 2.257 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000835051166 649871954 /nfs/dbraw/zinc/87/19/54/649871954.db2.gz HJTJQCQQXWBZPL-MULDZMIYSA-N 1 0 304.434 2.000 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)COCC(F)(F)F)c(O)c1OC ZINC000892683654 625371776 /nfs/dbraw/zinc/37/17/76/625371776.db2.gz MIYKIKJFPMQKHN-VIFPVBQESA-N 1 0 323.311 2.466 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892392662 625425201 /nfs/dbraw/zinc/42/52/01/625425201.db2.gz GLKBJWFVOPDJKT-AWEZNQCLSA-N 1 0 305.422 2.312 20 10 DECDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728366 625496450 /nfs/dbraw/zinc/49/64/50/625496450.db2.gz AYMUBZSJMOMOJO-ZIAGYGMSSA-N 1 0 306.406 2.125 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2COC2)c1O ZINC000858551834 622624415 /nfs/dbraw/zinc/62/44/15/622624415.db2.gz AMFUCDABUAZFMT-QMMMGPOBSA-N 1 0 316.195 2.460 20 10 DECDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NCc1ccccc1 ZINC000083551892 623670620 /nfs/dbraw/zinc/67/06/20/623670620.db2.gz VRTNRPYLQAEKFH-UHFFFAOYSA-N 1 0 304.777 2.452 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2cscn2)[NH+](C)C)cc1 ZINC000891248463 623792520 /nfs/dbraw/zinc/79/25/20/623792520.db2.gz MAVNYZLLDDEQPK-HNNXBMFYSA-N 1 0 318.446 2.242 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)C(C)(C)C)[NH+](C)C)cc1 ZINC000891251545 623797442 /nfs/dbraw/zinc/79/74/42/623797442.db2.gz GNEVLZNPOQAHLR-HNNXBMFYSA-N 1 0 319.449 2.087 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000891253094 623799684 /nfs/dbraw/zinc/79/96/84/623799684.db2.gz QLYSPUDUVVSWMT-IAGOWNOFSA-N 1 0 319.449 2.041 20 10 DECDRO COCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255708 623804453 /nfs/dbraw/zinc/80/44/53/623804453.db2.gz RHMVYBBIYHYSPH-QGZVFWFLSA-N 1 0 321.465 2.288 20 10 DECDRO Cc1cc(CN2CCO[C@H](c3ccnn3C)C2)ccc1N(C)C ZINC000933541617 624485000 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COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)OC)C2)cc1C ZINC000998678882 634373060 /nfs/dbraw/zinc/37/30/60/634373060.db2.gz RSAPRPFKFYOZLN-ZBFHGGJFSA-N 1 0 320.433 2.119 20 10 DECDRO CC[NH2+]C[C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980819032 635165189 /nfs/dbraw/zinc/16/51/89/635165189.db2.gz OFUNFJDJXBGKCU-NWDGAFQWSA-N 1 0 317.393 2.309 20 10 DECDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921797011 635241530 /nfs/dbraw/zinc/24/15/30/635241530.db2.gz NOWSWYJWUNGNED-UHFFFAOYSA-N 1 0 311.447 2.315 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@H]([C@H](C)O)C2)cc1F ZINC000840976571 636005365 /nfs/dbraw/zinc/00/53/65/636005365.db2.gz DQCORGICZKLBTJ-GUYCJALGSA-N 1 0 310.413 2.254 20 10 DECDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000840979021 636015454 /nfs/dbraw/zinc/01/54/54/636015454.db2.gz RBEXGIOMXGYMAY-NVXWUHKLSA-N 1 0 304.434 2.116 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922258067 636048570 /nfs/dbraw/zinc/04/85/70/636048570.db2.gz 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ZINC000894207990 636435004 /nfs/dbraw/zinc/43/50/04/636435004.db2.gz CELCVDVORIJDLR-GWCFXTLKSA-N 1 0 316.323 2.036 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)c1ccc(N(C)C)cc1 ZINC000894285127 636688170 /nfs/dbraw/zinc/68/81/70/636688170.db2.gz JGRRVNKVDIQECD-YSVLISHTSA-N 1 0 316.449 2.159 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)c1O ZINC000894424815 637032382 /nfs/dbraw/zinc/03/23/82/637032382.db2.gz NJPVEHRDAHFMJH-UHFFFAOYSA-N 1 0 306.406 2.152 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000894566733 637110074 /nfs/dbraw/zinc/11/00/74/637110074.db2.gz NQOTVURTRDMFCU-UHFFFAOYSA-N 1 0 320.433 2.447 20 10 DECDRO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(C)cc1O ZINC000840821306 650362254 /nfs/dbraw/zinc/36/22/54/650362254.db2.gz BWUZGFZLEOHQLV-CQSZACIVSA-N 1 0 306.406 2.037 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000840825389 650363324 /nfs/dbraw/zinc/36/33/24/650363324.db2.gz FZGDQTOYJHBYNY-DOMZBBRYSA-N 1 0 302.418 2.448 20 10 DECDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000839129169 637799591 /nfs/dbraw/zinc/79/95/91/637799591.db2.gz HLMVDFYNVFHAQL-UHFFFAOYSA-N 1 0 312.797 2.253 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)cc1OC ZINC000839180499 637811376 /nfs/dbraw/zinc/81/13/76/637811376.db2.gz DOOZIXQVMQZIHI-CVEARBPZSA-N 1 0 307.390 2.457 20 10 DECDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000839201154 637824584 /nfs/dbraw/zinc/82/45/84/637824584.db2.gz PQQBWBZCWZBOOD-FUHWJXTLSA-N 1 0 304.434 2.489 20 10 DECDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(F)ccc1O ZINC000840876116 650370047 /nfs/dbraw/zinc/37/00/47/650370047.db2.gz KXHLJEJEHDWUPO-SNVBAGLBSA-N 1 0 303.399 2.395 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(Cl)c1 ZINC000840901656 650374278 /nfs/dbraw/zinc/37/42/78/650374278.db2.gz LZZDUWIINCGKBY-JTNHKYCSSA-N 1 0 308.809 2.453 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000840918240 650382273 /nfs/dbraw/zinc/38/22/73/650382273.db2.gz QJYORCKBSYMONJ-UHFFFAOYSA-N 1 0 317.477 2.358 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2Cc3ccccc3NC2=O)c1O ZINC000895402012 638001954 /nfs/dbraw/zinc/00/19/54/638001954.db2.gz HYFVXTFFTOQTCB-HNNXBMFYSA-N 1 0 312.369 2.362 20 10 DECDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000742724936 638090485 /nfs/dbraw/zinc/09/04/85/638090485.db2.gz XLQNSEXUKAKTMZ-HNNXBMFYSA-N 1 0 312.417 2.034 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1 ZINC000895584216 638096829 /nfs/dbraw/zinc/09/68/29/638096829.db2.gz RHDZHVJPXZUQMW-HDICACEKSA-N 1 0 315.461 2.443 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000840949921 650393272 /nfs/dbraw/zinc/39/32/72/650393272.db2.gz CKTHRHYNXTVMEZ-BHIYHBOVSA-N 1 0 318.461 2.423 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840948540 650393424 /nfs/dbraw/zinc/39/34/24/650393424.db2.gz VBZNQWOMPQVSFL-UHFFFAOYSA-N 1 0 319.449 2.293 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000840951567 650394479 /nfs/dbraw/zinc/39/44/79/650394479.db2.gz ZBRGTFWXFVRMBN-MRXNPFEDSA-N 1 0 305.422 2.334 20 10 DECDRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1C ZINC000840974884 650397866 /nfs/dbraw/zinc/39/78/66/650397866.db2.gz JAMRXGIGGQBYDQ-UHFFFAOYSA-N 1 0 311.447 2.308 20 10 DECDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139030 638183473 /nfs/dbraw/zinc/18/34/73/638183473.db2.gz HODUBAOFKVSZQW-DOTOQJQBSA-N 1 0 322.474 2.200 20 10 DECDRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840979974 650400017 /nfs/dbraw/zinc/40/00/17/650400017.db2.gz VUHLFOWDAFFBSC-HZPDHXFCSA-N 1 0 322.424 2.303 20 10 DECDRO COc1cc(Cl)cc(CN[C@H](CC[NH3+])C(F)(F)F)c1O ZINC000841090263 650428812 /nfs/dbraw/zinc/42/88/12/650428812.db2.gz HJTYNGGMVZRAHS-SNVBAGLBSA-N 1 0 312.719 2.424 20 10 DECDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841080072 650424735 /nfs/dbraw/zinc/42/47/35/650424735.db2.gz QCQVOUKCCKWWBZ-LBPRGKRZSA-N 1 0 311.223 2.386 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105310 650432191 /nfs/dbraw/zinc/43/21/91/650432191.db2.gz JVSTUKDGAUHIOI-AWEZNQCLSA-N 1 0 311.223 2.483 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1cc(Br)cc(C)c1O ZINC000896712081 638651228 /nfs/dbraw/zinc/65/12/28/638651228.db2.gz NPVOJVJNELESNH-UHFFFAOYSA-N 1 0 315.211 2.160 20 10 DECDRO Cc1cccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1O ZINC000896814458 638691369 /nfs/dbraw/zinc/69/13/69/638691369.db2.gz PBLRUIWNMZDXMC-UHFFFAOYSA-N 1 0 319.426 2.436 20 10 DECDRO COC(=O)c1cnc(CC[NH2+]Cc2cccc(C)c2O)s1 ZINC000896931770 639084648 /nfs/dbraw/zinc/08/46/48/639084648.db2.gz LDHHEORGOAEHAY-UHFFFAOYSA-N 1 0 306.387 2.276 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1O ZINC000897049695 639150380 /nfs/dbraw/zinc/15/03/80/639150380.db2.gz HVIMSTGQALRPAI-ZSOGYDGISA-N 1 0 307.390 2.481 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2C(=O)NCC2(CC)CC)c(O)c1 ZINC000897344420 639522663 /nfs/dbraw/zinc/52/26/63/639522663.db2.gz BYORAELKQWOFJA-HNNXBMFYSA-N 1 0 306.406 2.185 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000755791218 639589860 /nfs/dbraw/zinc/58/98/60/639589860.db2.gz PJFLIZWBIKIXMD-ZDUSSCGKSA-N 1 0 301.390 2.432 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756659213 639683327 /nfs/dbraw/zinc/68/33/27/639683327.db2.gz PMGIUZZVYACBAE-FOGDFJRCSA-N 1 0 315.410 2.492 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000757926014 639895578 /nfs/dbraw/zinc/89/55/78/639895578.db2.gz IYJXDFBMPODNAR-OAHLLOKOSA-N 1 0 315.797 2.412 20 10 DECDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794447 650565507 /nfs/dbraw/zinc/56/55/07/650565507.db2.gz XWJISHGTLJZILR-CQSZACIVSA-N 1 0 304.438 2.069 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)c(O)c1 ZINC000761215457 640286050 /nfs/dbraw/zinc/28/60/50/640286050.db2.gz PYMWYVSLPRHVOQ-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]([NH3+])C(C)C)cc1F ZINC000841797927 650566951 /nfs/dbraw/zinc/56/69/51/650566951.db2.gz CURSJYNBMWCHMO-HNNXBMFYSA-N 1 0 324.444 2.454 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000841827056 650573195 /nfs/dbraw/zinc/57/31/95/650573195.db2.gz KCGJQQBPESHSRC-HOCLYGCPSA-N 1 0 318.465 2.248 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841880580 650591066 /nfs/dbraw/zinc/59/10/66/650591066.db2.gz DCYFURMTRBDYJB-UKRRQHHQSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841881960 650592138 /nfs/dbraw/zinc/59/21/38/650592138.db2.gz FTUSXDFCZZNUBO-DYVFJYSZSA-N 1 0 316.449 2.350 20 10 DECDRO CC[NH2+]CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841918247 650602833 /nfs/dbraw/zinc/60/28/33/650602833.db2.gz VTPMDJXWNLNGSH-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO [NH3+]CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841928811 650604310 /nfs/dbraw/zinc/60/43/10/650604310.db2.gz BVVVORBYMHNHJT-UHFFFAOYSA-N 1 0 303.362 2.046 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841929878 650605080 /nfs/dbraw/zinc/60/50/80/650605080.db2.gz XNNGFFWZETYZHH-RWMBFGLXSA-N 1 0 321.421 2.149 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000841937739 650606393 /nfs/dbraw/zinc/60/63/93/650606393.db2.gz WLVVDZVKAQNYER-OAHLLOKOSA-N 1 0 316.449 2.179 20 10 DECDRO CC(C)[C@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841943476 650608100 /nfs/dbraw/zinc/60/81/00/650608100.db2.gz KNXRZNJKHYHFCB-QGZVFWFLSA-N 1 0 318.465 2.410 20 10 DECDRO CC(C)[N@H+](C)CC(=O)NCc1cccc(Br)c1O ZINC000765770919 640816847 /nfs/dbraw/zinc/81/68/47/640816847.db2.gz SLLSRUTVJKOZIT-UHFFFAOYSA-N 1 0 315.211 2.111 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765766077 640817012 /nfs/dbraw/zinc/81/70/12/640817012.db2.gz BAECDUNBYONZTB-HIFRSBDPSA-N 1 0 307.413 2.017 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841950533 650609538 /nfs/dbraw/zinc/60/95/38/650609538.db2.gz UCSUPERDRLJRFT-ZOWXZIJZSA-N 1 0 321.421 2.279 20 10 DECDRO O=C1OCCCN1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000897591295 640830482 /nfs/dbraw/zinc/83/04/82/640830482.db2.gz DOZAJFBSFDVNOL-UHFFFAOYSA-N 1 0 308.353 2.338 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000765980123 640836212 /nfs/dbraw/zinc/83/62/12/640836212.db2.gz PJULGKMLBZEUKO-QGZVFWFLSA-N 1 0 322.474 2.200 20 10 DECDRO CCN(CCC[NH+]1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841960162 650613494 /nfs/dbraw/zinc/61/34/94/650613494.db2.gz WOYFKDSTGICYOV-UHFFFAOYSA-N 1 0 318.465 2.329 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000841765146 640877375 /nfs/dbraw/zinc/87/73/75/640877375.db2.gz NGZARAQEBFWGFY-QWRGUYRKSA-N 1 0 300.349 2.391 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000841967869 650615399 /nfs/dbraw/zinc/61/53/99/650615399.db2.gz QUVMAGRMEBZWDT-CQSZACIVSA-N 1 0 306.454 2.412 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766529925 640891821 /nfs/dbraw/zinc/89/18/21/640891821.db2.gz CCOPMIHUEWKUJI-MRXNPFEDSA-N 1 0 312.417 2.487 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000841986052 650620160 /nfs/dbraw/zinc/62/01/60/650620160.db2.gz LIBNSNUHISLDNS-ZFWWWQNUSA-N 1 0 305.422 2.312 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000841986035 650620221 /nfs/dbraw/zinc/62/02/21/650620221.db2.gz RCJFEGGLEHVNHA-CQSZACIVSA-N 1 0 306.454 2.282 20 10 DECDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2O)CCOCC1 ZINC000897745531 640927991 /nfs/dbraw/zinc/92/79/91/640927991.db2.gz JOYBZHIJLWMASD-ZDUSSCGKSA-N 1 0 307.390 2.230 20 10 DECDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897844247 640951634 /nfs/dbraw/zinc/95/16/34/640951634.db2.gz GWYLFQVPXVRYML-KOLCDFICSA-N 1 0 320.414 2.477 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000768232612 641060889 /nfs/dbraw/zinc/06/08/89/641060889.db2.gz GFRXIAHZVBMBRS-UHFFFAOYSA-N 1 0 320.433 2.385 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCc3sccc3C1)[C@H](O)CO2 ZINC000768441947 641082510 /nfs/dbraw/zinc/08/25/10/641082510.db2.gz RBSSMBBKHDXKBQ-CQSZACIVSA-N 1 0 303.383 2.438 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842006410 650626195 /nfs/dbraw/zinc/62/61/95/650626195.db2.gz QBJYBWPFKRYCHW-UONOGXRCSA-N 1 0 306.454 2.408 20 10 DECDRO CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838756 641247810 /nfs/dbraw/zinc/24/78/10/641247810.db2.gz OMYIEURTXSIXDJ-SMDDNHRTSA-N 1 0 317.393 2.452 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](COCCOC)C2)c(O)c1 ZINC000769508583 641253125 /nfs/dbraw/zinc/25/31/25/641253125.db2.gz RZCQTMUHHFKSOB-AWEZNQCLSA-N 1 0 309.406 2.276 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769551132 641259467 /nfs/dbraw/zinc/25/94/67/641259467.db2.gz VGZAJQUFTXKDQR-ZDUSSCGKSA-N 1 0 301.390 2.199 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(CO)o2)N(C)C)cc1 ZINC000898450287 641662000 /nfs/dbraw/zinc/66/20/00/641662000.db2.gz ACOINESLWNAESU-GOSISDBHSA-N 1 0 317.433 2.230 20 10 DECDRO CC[C@@H]1C(=O)NCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000898547616 641700537 /nfs/dbraw/zinc/70/05/37/641700537.db2.gz ILJNWXBEQDYVLW-XTKXOIQPSA-N 1 0 301.434 2.366 20 10 DECDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000773069343 641724073 /nfs/dbraw/zinc/72/40/73/641724073.db2.gz BAWSWLYRSYKGBO-CYBMUJFWSA-N 1 0 310.413 2.331 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000773367569 641764846 /nfs/dbraw/zinc/76/48/46/641764846.db2.gz LMDTYMYOCXRGOL-BBRMVZONSA-N 1 0 304.438 2.207 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000773747341 641819110 /nfs/dbraw/zinc/81/91/10/641819110.db2.gz FDEYMTPFQCHCJP-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000773757820 641820997 /nfs/dbraw/zinc/82/09/97/641820997.db2.gz QFEKOXHJNCRVHS-QGZVFWFLSA-N 1 0 301.434 2.386 20 10 DECDRO CCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103255 641935046 /nfs/dbraw/zinc/93/50/46/641935046.db2.gz YJRGIGNVYLNQHJ-MRXNPFEDSA-N 1 0 306.454 2.407 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])N[C@H](C)C3CC3)C2)cc1 ZINC000899272709 642013825 /nfs/dbraw/zinc/01/38/25/642013825.db2.gz NJGHLRZBTARBJN-KGLIPLIRSA-N 1 0 316.449 2.434 20 10 DECDRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000775503620 642053000 /nfs/dbraw/zinc/05/30/00/642053000.db2.gz KXBPHOAFAATVAI-ZFWWWQNUSA-N 1 0 311.857 2.332 20 10 DECDRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(N(C)C)cc1 ZINC000775834212 642102826 /nfs/dbraw/zinc/10/28/26/642102826.db2.gz LUMWXKNPHFMUOF-JCGIZDLHSA-N 1 0 303.450 2.266 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]CCC[S@@](C)=O)c1O ZINC000776208657 642143689 /nfs/dbraw/zinc/14/36/89/642143689.db2.gz JAKWYBWUFRPYJQ-QGZVFWFLSA-N 1 0 320.252 2.321 20 10 DECDRO CCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899725078 642150383 /nfs/dbraw/zinc/15/03/83/642150383.db2.gz SDJIKFLFRXIUHY-OAHLLOKOSA-N 1 0 308.495 2.229 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000776867888 642214181 /nfs/dbraw/zinc/21/41/81/642214181.db2.gz NXMCSKHMDVPYLQ-DJSGYFEHSA-N 1 0 313.369 2.002 20 10 DECDRO C[C@H](CCO)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000779339466 642488860 /nfs/dbraw/zinc/48/88/60/642488860.db2.gz CMJJJRIOPHIUGN-MCIONIFRSA-N 1 0 310.413 2.300 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779519562 642507994 /nfs/dbraw/zinc/50/79/94/642507994.db2.gz PFVHRCVEKYEBIB-IQCBXXCUSA-N 1 0 304.390 2.102 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(O)c1O ZINC000780887527 642684395 /nfs/dbraw/zinc/68/43/95/642684395.db2.gz QNNQQKDIABIZDI-CHWSQXEVSA-N 1 0 306.406 2.399 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC(F)F)C1)[C@@H](O)CO2 ZINC000781150513 642719771 /nfs/dbraw/zinc/71/97/71/642719771.db2.gz DWFMSEJKTDMQDL-GWCFXTLKSA-N 1 0 315.316 2.022 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(O)cc1C ZINC000842620305 650783965 /nfs/dbraw/zinc/78/39/65/650783965.db2.gz NFFXBMJNRJTFCS-MRXNPFEDSA-N 1 0 309.431 2.417 20 10 DECDRO COCC[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCOC1 ZINC000782961189 642946666 /nfs/dbraw/zinc/94/66/66/642946666.db2.gz JNISPTXAKJCACC-CQSZACIVSA-N 1 0 302.374 2.178 20 10 DECDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000902445459 643040236 /nfs/dbraw/zinc/04/02/36/643040236.db2.gz LZCGDNAXFLWFFU-DYVFJYSZSA-N 1 0 321.440 2.311 20 10 DECDRO O=C1N[C@H](C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)CO1 ZINC000902514628 643061287 /nfs/dbraw/zinc/06/12/87/643061287.db2.gz SYPPLSIIQWHXSE-INIZCTEOSA-N 1 0 316.401 2.201 20 10 DECDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000783867469 643062662 /nfs/dbraw/zinc/06/26/62/643062662.db2.gz XLWVPDAZNIVZMA-SOFGYWHQSA-N 1 0 304.390 2.054 20 10 DECDRO O=C1NC2(CO1)CC[NH+](Cc1cc3c(cc1O)CCCC3)CC2 ZINC000784020524 643085101 /nfs/dbraw/zinc/08/51/01/643085101.db2.gz GJNXTIRXFVZQBY-UHFFFAOYSA-N 1 0 316.401 2.345 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026662 643230484 /nfs/dbraw/zinc/23/04/84/643230484.db2.gz RDZCZLSGOHGFDD-ZIAGYGMSSA-N 1 0 315.421 2.001 20 10 DECDRO C[C@@H](CCCCO)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449363 643355886 /nfs/dbraw/zinc/35/58/86/643355886.db2.gz YAGRRMZZBNKBFN-YJBOKZPZSA-N 1 0 307.482 2.496 20 10 DECDRO CO[C@@H](CC[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000786823305 643414495 /nfs/dbraw/zinc/41/44/95/643414495.db2.gz JRGAQRPBXBECQO-LBPRGKRZSA-N 1 0 307.268 2.178 20 10 DECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000805826067 643445240 /nfs/dbraw/zinc/44/52/40/643445240.db2.gz OQKPWISIIVILKT-MRXNPFEDSA-N 1 0 305.422 2.463 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@H]1C ZINC000787324348 643481801 /nfs/dbraw/zinc/48/18/01/643481801.db2.gz IVKDGOUCLWHWLL-ZANVPECISA-N 1 0 309.337 2.117 20 10 DECDRO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCOC1 ZINC000787335926 643483455 /nfs/dbraw/zinc/48/34/55/643483455.db2.gz VQQQTLFYWNDARZ-CYBMUJFWSA-N 1 0 315.797 2.292 20 10 DECDRO CCOc1cccc(CN2CCc3sc(C[NH3+])nc3C2)c1O ZINC000903941272 643523048 /nfs/dbraw/zinc/52/30/48/643523048.db2.gz VJZQGCLOXUOGDY-UHFFFAOYSA-N 1 0 319.430 2.264 20 10 DECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000903972741 643530862 /nfs/dbraw/zinc/53/08/62/643530862.db2.gz KZVFBZJNKBFWCT-INIZCTEOSA-N 1 0 304.434 2.257 20 10 DECDRO COc1c([O-])c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000843046791 650876248 /nfs/dbraw/zinc/87/62/48/650876248.db2.gz CKVHFALAWSKUEA-FUNVUKJBSA-N 1 0 321.377 2.024 20 10 DECDRO C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccc(N(C)C)cc1 ZINC000790833248 643901207 /nfs/dbraw/zinc/90/12/07/643901207.db2.gz ATLUAKRLORJGQM-CQSZACIVSA-N 1 0 316.449 2.303 20 10 DECDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843058024 650880111 /nfs/dbraw/zinc/88/01/11/650880111.db2.gz LIEMCEFMIQTOCA-GOSISDBHSA-N 1 0 303.450 2.097 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000843058703 650880260 /nfs/dbraw/zinc/88/02/60/650880260.db2.gz WUVOCFGJSAAJCB-DYVFJYSZSA-N 1 0 309.429 2.220 20 10 DECDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1c(O)cccc1F ZINC000905661774 643988453 /nfs/dbraw/zinc/98/84/53/643988453.db2.gz RGQUTOOTLNBSFP-UHFFFAOYSA-N 1 0 313.442 2.083 20 10 DECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2nccn2C)c1O ZINC000843122715 650900214 /nfs/dbraw/zinc/90/02/14/650900214.db2.gz TWDHTZGGYHGVRG-AWEZNQCLSA-N 1 0 320.824 2.234 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2O)[C@H]1C ZINC000793387272 644243860 /nfs/dbraw/zinc/24/38/60/644243860.db2.gz BQSMKGCTXBYOJM-HUBLWGQQSA-N 1 0 307.390 2.468 20 10 DECDRO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000793697375 644288908 /nfs/dbraw/zinc/28/89/08/644288908.db2.gz GRDJDNMECUGUKT-ZDUSSCGKSA-N 1 0 323.458 2.138 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000795834418 644644792 /nfs/dbraw/zinc/64/47/92/644644792.db2.gz VAWCJUHCUJBRET-NMKXLXIOSA-N 1 0 309.381 2.314 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2O ZINC000795845035 644646557 /nfs/dbraw/zinc/64/65/57/644646557.db2.gz OKXKWAHJRUNEOH-APPZFPTMSA-N 1 0 302.296 2.051 20 10 DECDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796496821 644745899 /nfs/dbraw/zinc/74/58/99/644745899.db2.gz CVWRNVYMGAJIOF-RDJZCZTQSA-N 1 0 304.434 2.285 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843414667 650969777 /nfs/dbraw/zinc/96/97/77/650969777.db2.gz AVGNAZVVWAVIJD-CQSZACIVSA-N 1 0 314.389 2.267 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000843428042 650973176 /nfs/dbraw/zinc/97/31/76/650973176.db2.gz CTMIEUPNJQLAQA-GOSISDBHSA-N 1 0 306.450 2.328 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000843486393 650983477 /nfs/dbraw/zinc/98/34/77/650983477.db2.gz ROUBSDANJUEEKL-MJGOQNOKSA-N 1 0 315.461 2.489 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OCCOC)C2)c1O ZINC000802651831 645539856 /nfs/dbraw/zinc/53/98/56/645539856.db2.gz CVZJKZFWHXTEJL-OAHLLOKOSA-N 1 0 309.406 2.418 20 10 DECDRO CSCC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)N(C)C ZINC000806663190 645859243 /nfs/dbraw/zinc/85/92/43/645859243.db2.gz TZJZZCBCBDQWQP-GWCFXTLKSA-N 1 0 314.426 2.392 20 10 DECDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C(C)(C)C ZINC000912029981 645910320 /nfs/dbraw/zinc/91/03/20/645910320.db2.gz DCFZLRODCUBDAT-QKIRZYONSA-N 1 0 318.417 2.300 20 10 DECDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C(C)(C)C ZINC000912029976 645910394 /nfs/dbraw/zinc/91/03/94/645910394.db2.gz DCFZLRODCUBDAT-IOBAAEILSA-N 1 0 318.417 2.300 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CC12COC2 ZINC000840100538 645961789 /nfs/dbraw/zinc/96/17/89/645961789.db2.gz ZXEYDZQHQLNNQR-HNNXBMFYSA-N 1 0 319.401 2.021 20 10 DECDRO C[NH+](C)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000807786570 645989440 /nfs/dbraw/zinc/98/94/40/645989440.db2.gz GZOVHTJIAOPXOP-CQSZACIVSA-N 1 0 318.348 2.270 20 10 DECDRO C[NH+](C)C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000807786569 645989684 /nfs/dbraw/zinc/98/96/84/645989684.db2.gz GZOVHTJIAOPXOP-AWEZNQCLSA-N 1 0 318.348 2.270 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)c(O)c1 ZINC000808430449 646083834 /nfs/dbraw/zinc/08/38/34/646083834.db2.gz GOMRTRJIGMVZOD-HNNXBMFYSA-N 1 0 302.374 2.052 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1F ZINC000808431652 646083929 /nfs/dbraw/zinc/08/39/29/646083929.db2.gz XBKUSMMWSAZRNL-OAHLLOKOSA-N 1 0 303.381 2.152 20 10 DECDRO CSCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000808439015 646084717 /nfs/dbraw/zinc/08/47/17/646084717.db2.gz UIFRESVCSRBHJB-HNNXBMFYSA-N 1 0 309.479 2.052 20 10 DECDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C12CCC2 ZINC000840140271 646092306 /nfs/dbraw/zinc/09/23/06/646092306.db2.gz MUXJMGZYSLTFFH-HYVNUMGLSA-N 1 0 319.401 2.207 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000808708004 646131438 /nfs/dbraw/zinc/13/14/38/646131438.db2.gz DQMCFLMLLJFNRX-YGRLFVJLSA-N 1 0 309.797 2.472 20 10 DECDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000912808008 646172106 /nfs/dbraw/zinc/17/21/06/646172106.db2.gz SDGFRYTZQBYUDT-TZMCWYRMSA-N 1 0 306.406 2.290 20 10 DECDRO COc1cccc(O)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728130 646269966 /nfs/dbraw/zinc/26/99/66/646269966.db2.gz LUIZVRPHXBVRRV-UHFFFAOYSA-N 1 0 317.345 2.274 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000809772167 646282315 /nfs/dbraw/zinc/28/23/15/646282315.db2.gz VXIBUIIYQXLXKU-OAHLLOKOSA-N 1 0 318.417 2.235 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000840186985 646292921 /nfs/dbraw/zinc/29/29/21/646292921.db2.gz CWWHYSPYOLULHE-AWEZNQCLSA-N 1 0 309.431 2.347 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(F)ccc1O ZINC000810243441 646343339 /nfs/dbraw/zinc/34/33/39/646343339.db2.gz OCPGGZIPQXUTTL-NSHDSACASA-N 1 0 302.349 2.410 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000811514580 646538966 /nfs/dbraw/zinc/53/89/66/646538966.db2.gz AYQMKAREOGTVBV-UHFFFAOYSA-N 1 0 322.405 2.452 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000228673941 646637066 /nfs/dbraw/zinc/63/70/66/646637066.db2.gz ZSFORBMKLKAFKL-UHFFFAOYSA-N 1 0 314.813 2.449 20 10 DECDRO Cc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)ccc1N(C)C ZINC000815092380 646966491 /nfs/dbraw/zinc/96/64/91/646966491.db2.gz ZTEFOVKFWQEFIJ-UHFFFAOYSA-N 1 0 303.406 2.135 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2O ZINC000815639974 647037767 /nfs/dbraw/zinc/03/77/67/647037767.db2.gz MIBUZXHWMZCBQE-ZWNOBZJWSA-N 1 0 304.369 2.431 20 10 DECDRO CC(C)(O)C[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816501622 647142650 /nfs/dbraw/zinc/14/26/50/647142650.db2.gz VHVNMJYTDZGKPN-UHFFFAOYSA-N 1 0 314.429 2.434 20 10 DECDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C12CCCC2 ZINC000816630789 647161079 /nfs/dbraw/zinc/16/10/79/647161079.db2.gz RUBZQASBDIFNCX-GOSISDBHSA-N 1 0 316.445 2.403 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000816656856 647163514 /nfs/dbraw/zinc/16/35/14/647163514.db2.gz FLEKXBRXSAFMCZ-SFHVURJKSA-N 1 0 318.461 2.410 20 10 DECDRO COc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)c(O)c1 ZINC000817177105 647237569 /nfs/dbraw/zinc/23/75/69/647237569.db2.gz DGNZFHYCFFTDOE-UHFFFAOYSA-N 1 0 321.421 2.073 20 10 DECDRO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817934676 647386904 /nfs/dbraw/zinc/38/69/04/647386904.db2.gz AMFJRZSFHLWATI-HNNXBMFYSA-N 1 0 311.857 2.382 20 10 DECDRO COC[C@]1(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975428 647399069 /nfs/dbraw/zinc/39/90/69/647399069.db2.gz UGFBTLGRVCNLEZ-BTJLNZGRSA-N 1 0 308.397 2.438 20 10 DECDRO COC[C@]1(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975430 647399130 /nfs/dbraw/zinc/39/91/30/647399130.db2.gz UGFBTLGRVCNLEZ-PLQHRBFRSA-N 1 0 308.397 2.438 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CNCC[C@@H]3C)C2)cc1 ZINC000818616400 647489149 /nfs/dbraw/zinc/48/91/49/647489149.db2.gz WDQPIVYHIUBPKL-HDMKZQKVSA-N 1 0 303.450 2.109 20 10 DECDRO 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CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000825602688 648786895 /nfs/dbraw/zinc/78/68/95/648786895.db2.gz LWMPRTORNFVDGY-KRWDZBQOSA-N 1 0 318.465 2.378 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000826020907 648839544 /nfs/dbraw/zinc/83/95/44/648839544.db2.gz YJGOLQFYLSBDOV-KRWDZBQOSA-N 1 0 307.413 2.193 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000842773610 648869307 /nfs/dbraw/zinc/86/93/07/648869307.db2.gz BYAIALLWIRBSAI-LDYMZIIASA-N 1 0 316.195 2.430 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000826852259 648937571 /nfs/dbraw/zinc/93/75/71/648937571.db2.gz KMDGRTZHMZNGQU-REMYHPOOSA-N 1 0 311.433 2.379 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000826999916 648959048 /nfs/dbraw/zinc/95/90/48/648959048.db2.gz DLYGWDIPUNVVMN-REMYHPOOSA-N 1 0 315.417 2.292 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000827131726 648977886 /nfs/dbraw/zinc/97/78/86/648977886.db2.gz 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CSc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000832273298 649691461 /nfs/dbraw/zinc/69/14/61/649691461.db2.gz NCOXYJMQIWFVRS-CYBMUJFWSA-N 1 0 319.430 2.497 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccccc2F)cc1 ZINC000832293435 649693090 /nfs/dbraw/zinc/69/30/90/649693090.db2.gz WTQQWWDHQRTAOG-KRWDZBQOSA-N 1 0 315.392 2.250 20 10 DECDRO C[C@@H](C(=O)Nc1nccs1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219880 651095206 /nfs/dbraw/zinc/09/52/06/651095206.db2.gz OBAZDVQVAGXXDU-NSHDSACASA-N 1 0 316.430 2.382 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCC2OCCCO2)cc1 ZINC000844400908 651123285 /nfs/dbraw/zinc/12/32/85/651123285.db2.gz HKIHCQDAHIKXTR-UHFFFAOYSA-N 1 0 308.422 2.216 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H](CC)CO1 ZINC000844722228 651160693 /nfs/dbraw/zinc/16/06/93/651160693.db2.gz DTLMKUROUKNXHC-XJKCOSOUSA-N 1 0 307.390 2.207 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H](C)O1 ZINC000844738227 651163307 /nfs/dbraw/zinc/16/33/07/651163307.db2.gz 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COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C(C)C)nn3)C2)cc1 ZINC000850347383 651906142 /nfs/dbraw/zinc/90/61/42/651906142.db2.gz RNNUDFKLVJNBOP-CQSZACIVSA-N 1 0 315.421 2.236 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)c1 ZINC000850369460 651913446 /nfs/dbraw/zinc/91/34/46/651913446.db2.gz KOAWVURQXOYDKW-WDEREUQCSA-N 1 0 317.838 2.409 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H]1COc3cc(F)ccc3C1)OCO2 ZINC000850381677 651915637 /nfs/dbraw/zinc/91/56/37/651915637.db2.gz ITBQCMJSTLVRPR-ZDUSSCGKSA-N 1 0 317.316 2.353 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)[C@]1(O)CCCOC1 ZINC000850401305 651921347 /nfs/dbraw/zinc/92/13/47/651921347.db2.gz WZXBBTHJXJHLGZ-SFHVURJKSA-N 1 0 305.418 2.279 20 10 DECDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850408297 651922625 /nfs/dbraw/zinc/92/26/25/651922625.db2.gz GXCLBXBZCQTDSF-MRXNPFEDSA-N 1 0 304.434 2.428 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406326 651922811 /nfs/dbraw/zinc/92/28/11/651922811.db2.gz 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ZINC000851655534 652200046 /nfs/dbraw/zinc/20/00/46/652200046.db2.gz SOTQENSTSUYLJC-UHFFFAOYSA-N 1 0 316.449 2.084 20 10 DECDRO COc1ccc(N2CCC[N@@H+](CCC(OC)OC)CC2)cc1 ZINC000851732798 652220573 /nfs/dbraw/zinc/22/05/73/652220573.db2.gz CPJXASXFYSQLPV-UHFFFAOYSA-N 1 0 308.422 2.216 20 10 DECDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858152728 652266563 /nfs/dbraw/zinc/26/65/63/652266563.db2.gz ATPLRIMJNDQOIS-UHFFFAOYSA-N 1 0 313.392 2.283 20 10 DECDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149630 652267050 /nfs/dbraw/zinc/26/70/50/652267050.db2.gz QDESSMTVCNMASN-WCQYABFASA-N 1 0 314.376 2.314 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000858288564 652297095 /nfs/dbraw/zinc/29/70/95/652297095.db2.gz KYLJSTRUTQXVEG-OCCSQVGLSA-N 1 0 303.406 2.125 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccnn2C)c2c1c(F)ccc2O ZINC000858435147 652336711 /nfs/dbraw/zinc/33/67/11/652336711.db2.gz XDRMZDHIULDKKF-ADEWGFFLSA-N 1 0 305.353 2.136 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852532177 652416192 /nfs/dbraw/zinc/41/61/92/652416192.db2.gz CXXIFOGYFZKLPI-MRXNPFEDSA-N 1 0 321.440 2.440 20 10 DECDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000852554196 652420344 /nfs/dbraw/zinc/42/03/44/652420344.db2.gz GAZFRSIFZBEDRC-KRWDZBQOSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000852698388 652441102 /nfs/dbraw/zinc/44/11/02/652441102.db2.gz JJXFKCNFIVKKLO-MRXNPFEDSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)c(O)c1 ZINC000852826126 652464476 /nfs/dbraw/zinc/46/44/76/652464476.db2.gz QFRAXXPWHGKIGP-MRXNPFEDSA-N 1 0 312.369 2.252 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1F ZINC000852862605 652472133 /nfs/dbraw/zinc/47/21/33/652472133.db2.gz DBBKYVAJYXYMMP-UHFFFAOYSA-N 1 0 305.397 2.183 20 10 DECDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852887977 652475863 /nfs/dbraw/zinc/47/58/63/652475863.db2.gz 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JJMLQWNHWKYDRC-INIZCTEOSA-N 1 0 314.385 2.497 20 10 DECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000127339128 684162771 /nfs/dbraw/zinc/16/27/71/684162771.db2.gz HQAUTGIHAPXKSN-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO CC[N@@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000155373204 684271506 /nfs/dbraw/zinc/27/15/06/684271506.db2.gz BRYIPGUIRBTBKY-UHFFFAOYSA-N 1 0 303.450 2.051 20 10 DECDRO COc1ccc(N2CCCN(C(=O)CCCCC[NH3+])CC2)cc1 ZINC000155484665 684274521 /nfs/dbraw/zinc/27/45/21/684274521.db2.gz JVHFCGFAXHBLHA-UHFFFAOYSA-N 1 0 319.449 2.253 20 10 DECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159854040 684322449 /nfs/dbraw/zinc/32/24/49/684322449.db2.gz KBQKKIIUWGAVBO-CQSZACIVSA-N 1 0 322.405 2.420 20 10 DECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159854149 684322603 /nfs/dbraw/zinc/32/26/03/684322603.db2.gz KBQKKIIUWGAVBO-AWEZNQCLSA-N 1 0 322.405 2.420 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2C)c1 ZINC000191672282 684434208 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CN(C)c1cc(F)c(C[NH2+]CC[C@H](O)C(F)(F)F)cc1F ZINC000862367658 686284027 /nfs/dbraw/zinc/28/40/27/686284027.db2.gz QIIYCTJCAPMCEW-LBPRGKRZSA-N 1 0 312.282 2.434 20 10 DECDRO COc1cccc(CNc2cnn(C3CC[NH+](C)CC3)c2)c1O ZINC000865703451 687307342 /nfs/dbraw/zinc/30/73/42/687307342.db2.gz KGXFFMNRUDAWKT-UHFFFAOYSA-N 1 0 316.405 2.476 20 10 DECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865873295 687363067 /nfs/dbraw/zinc/36/30/67/687363067.db2.gz VZRKOFXWQAVDRN-ZFWWWQNUSA-N 1 0 310.413 2.301 20 10 DECDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000866418135 687566464 /nfs/dbraw/zinc/56/64/64/687566464.db2.gz FEHLFLHUPDFYAH-OLMNPRSZSA-N 1 0 304.434 2.477 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2O ZINC000866496757 687592136 /nfs/dbraw/zinc/59/21/36/687592136.db2.gz WYTMQFNTMFPASX-GXFFZTMASA-N 1 0 314.364 2.348 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001018410842 688128552 /nfs/dbraw/zinc/12/85/52/688128552.db2.gz VUWAXZZXAYZQDL-ZDUSSCGKSA-N 1 0 312.360 2.349 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(CF)CC3)C2)cc1C ZINC001019360764 688339348 /nfs/dbraw/zinc/33/93/48/688339348.db2.gz CWNWHVFEWSRNDR-HNNXBMFYSA-N 1 0 320.408 2.444 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)ccc21 ZINC000870875715 688675205 /nfs/dbraw/zinc/67/52/05/688675205.db2.gz IVNDORKZCFFDCR-FZNQNYSPSA-N 1 0 301.434 2.203 20 10 DECDRO CCOC(=O)CN(CCc1ccns1)Cc1ccccc1O ZINC000930764995 694236238 /nfs/dbraw/zinc/23/62/38/694236238.db2.gz WXPLAYUBVFHFPJ-UHFFFAOYSA-N 1 0 320.414 2.457 20 10 DECDRO CN1CCCC[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1=O ZINC000872674279 689062740 /nfs/dbraw/zinc/06/27/40/689062740.db2.gz PTNOQZBLZLIJHJ-INIZCTEOSA-N 1 0 313.401 2.383 20 10 DECDRO CCCOc1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1C ZINC000873020335 689142661 /nfs/dbraw/zinc/14/26/61/689142661.db2.gz OMYWSOXJAIFYTN-KRWDZBQOSA-N 1 0 306.450 2.330 20 10 DECDRO COc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1Cn1cccn1 ZINC000873052176 689149104 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C[N@H+](CCc1ccccc1)CC(=O)NCCc1ccc(N)cc1 ZINC000876527872 689847489 /nfs/dbraw/zinc/84/74/89/689847489.db2.gz GOHSJUGPIJRNNH-UHFFFAOYSA-N 1 0 311.429 2.102 20 10 DECDRO CCCC[N@H+](Cc1c(C)cccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876534372 689849804 /nfs/dbraw/zinc/84/98/04/689849804.db2.gz BVPVMURLWYYWSC-AWEZNQCLSA-N 1 0 311.447 2.490 20 10 DECDRO CCCC[N@H+](Cc1c(C)cccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876534375 689849953 /nfs/dbraw/zinc/84/99/53/689849953.db2.gz BVPVMURLWYYWSC-CQSZACIVSA-N 1 0 311.447 2.490 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000876558424 689856001 /nfs/dbraw/zinc/85/60/01/689856001.db2.gz PKJSOEKFIYPSFJ-UHFFFAOYSA-N 1 0 317.433 2.424 20 10 DECDRO C[NH+](C)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876596157 689870885 /nfs/dbraw/zinc/87/08/85/689870885.db2.gz OJUJUFNUJMNGQV-UHFFFAOYSA-N 1 0 317.477 2.174 20 10 DECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876666314 689894462 /nfs/dbraw/zinc/89/44/62/689894462.db2.gz HPHOZQUHSCWXNV-SYTKJHMZSA-N 1 0 301.346 2.040 20 10 DECDRO Cc1cccc(O)c1C[N@H+](CCO)CCOCC(F)(F)F ZINC000876721702 689915541 /nfs/dbraw/zinc/91/55/41/689915541.db2.gz LNCMOMKFOJKRBA-UHFFFAOYSA-N 1 0 307.312 2.074 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(O)c1 ZINC000876742681 689924103 /nfs/dbraw/zinc/92/41/03/689924103.db2.gz RATDHYIIDDKMDK-QGZVFWFLSA-N 1 0 315.417 2.380 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876767260 689931422 /nfs/dbraw/zinc/93/14/22/689931422.db2.gz FJBUHKNJOJAKAT-AJHXJQRKSA-N 1 0 301.434 2.233 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000876771573 689932315 /nfs/dbraw/zinc/93/23/15/689932315.db2.gz ZOMSGOPDTPXSSU-UHFFFAOYSA-N 1 0 303.406 2.080 20 10 DECDRO Cc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c(O)c1 ZINC000876778311 689935350 /nfs/dbraw/zinc/93/53/50/689935350.db2.gz BBXOQYUNRAMQCJ-UHFFFAOYSA-N 1 0 306.450 2.491 20 10 DECDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C\[C@H]1CCC[NH2+]C1)CC2 ZINC000876905892 689969568 /nfs/dbraw/zinc/96/95/68/689969568.db2.gz ZTOOJJHJSYQFFI-DSYXLKISSA-N 1 0 315.373 2.348 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000876966265 689984579 /nfs/dbraw/zinc/98/45/79/689984579.db2.gz SPYBPKMBHCUIDQ-HNNXBMFYSA-N 1 0 301.390 2.057 20 10 DECDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877170243 690036237 /nfs/dbraw/zinc/03/62/37/690036237.db2.gz KTKBPHKUZQHKRC-NVXWUHKLSA-N 1 0 318.461 2.241 20 10 DECDRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1O ZINC000877255684 690058109 /nfs/dbraw/zinc/05/81/09/690058109.db2.gz HAGDXMRNCYSKGZ-TVQRCGJNSA-N 1 0 302.296 2.111 20 10 DECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877406588 690104191 /nfs/dbraw/zinc/10/41/91/690104191.db2.gz YKWFLTTVSWGGGD-RXYHWBRQSA-N 1 0 304.434 2.064 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCOC(F)(F)F)cc2)CC1 ZINC000877468633 690122899 /nfs/dbraw/zinc/12/28/99/690122899.db2.gz LPTCMSAWKBTAQF-UHFFFAOYSA-N 1 0 318.339 2.274 20 10 DECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562016 690153006 /nfs/dbraw/zinc/15/30/06/690153006.db2.gz VGQIXOONOIWPGR-LPHOPBHVSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877569783 690155367 /nfs/dbraw/zinc/15/53/67/690155367.db2.gz ZPEPKFAZZUTJEC-MRXNPFEDSA-N 1 0 309.431 2.101 20 10 DECDRO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877587586 690159950 /nfs/dbraw/zinc/15/99/50/690159950.db2.gz NECFAOHVWOCCEG-OAHLLOKOSA-N 1 0 306.450 2.410 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(n4cccn4)C3)C2)cc1 ZINC000877620589 690170151 /nfs/dbraw/zinc/17/01/51/690170151.db2.gz KEWHNWOJXQQQRP-HPUBIQBYSA-N 1 0 312.417 2.464 20 10 DECDRO C[C@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)C1O ZINC000877628141 690172507 /nfs/dbraw/zinc/17/25/07/690172507.db2.gz CWHPXTMLDZTXEO-GJZGRUSLSA-N 1 0 318.461 2.096 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@]1(C)CO ZINC000877639749 690175966 /nfs/dbraw/zinc/17/59/66/690175966.db2.gz DVKKTDADMYWLRZ-HNAYVOBHSA-N 1 0 318.461 2.098 20 10 DECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877667342 690184481 /nfs/dbraw/zinc/18/44/81/690184481.db2.gz NMAALXPIMNFEKH-MRXNPFEDSA-N 1 0 306.450 2.288 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1 ZINC000877675796 690186845 /nfs/dbraw/zinc/18/68/45/690186845.db2.gz UMGRQVXPUUFPCX-OAHLLOKOSA-N 1 0 306.406 2.282 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000877676265 690186871 /nfs/dbraw/zinc/18/68/71/690186871.db2.gz ZVCISHIDNDCVQO-GFCCVEGCSA-N 1 0 300.284 2.185 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(CCO)(CCO)CC2)cc1F ZINC000877692120 690192900 /nfs/dbraw/zinc/19/29/00/690192900.db2.gz SRZBNWQCNWPHBM-UHFFFAOYSA-N 1 0 324.440 2.239 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877694058 690194285 /nfs/dbraw/zinc/19/42/85/690194285.db2.gz YMFPGGRRJJHOGW-GXSJLCMTSA-N 1 0 305.296 2.003 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H](OC)C3CC3)CC2)c(OC)c1 ZINC000877708200 690198660 /nfs/dbraw/zinc/19/86/60/690198660.db2.gz CYLQAWGPROHPGV-SFHVURJKSA-N 1 0 320.433 2.251 20 10 DECDRO COc1c(O)c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000877750841 690215407 /nfs/dbraw/zinc/21/54/07/690215407.db2.gz MOQKVIFJDMFIDA-CQSZACIVSA-N 1 0 323.393 2.081 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877785626 690228058 /nfs/dbraw/zinc/22/80/58/690228058.db2.gz ZCGBRSIDQIFCPQ-HOTGVXAUSA-N 1 0 307.390 2.053 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C)(F)CC2)cc1 ZINC000879382479 690631715 /nfs/dbraw/zinc/63/17/15/690631715.db2.gz WKTAUHREDGGJMB-UHFFFAOYSA-N 1 0 307.413 2.193 20 10 DECDRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879652729 690699366 /nfs/dbraw/zinc/69/93/66/690699366.db2.gz HMSGGIIKDFUKNT-ZDUSSCGKSA-N 1 0 314.385 2.368 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880235096 690845945 /nfs/dbraw/zinc/84/59/45/690845945.db2.gz YFUNTQMZDOHSDI-OAHLLOKOSA-N 1 0 307.413 2.050 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2c[nH]nc21 ZINC000931468171 694405202 /nfs/dbraw/zinc/40/52/02/694405202.db2.gz VUEPPVYYGRRHHW-AWEZNQCLSA-N 1 0 312.417 2.366 20 10 DECDRO CC(=O)c1cc(F)cc(Cn2cc([C@@H]([NH3+])C(C)(C)C)nn2)c1O ZINC000880996541 691010592 /nfs/dbraw/zinc/01/05/92/691010592.db2.gz VXEWSPGVEJHZIZ-OAHLLOKOSA-N 1 0 320.368 2.420 20 10 DECDRO CC(=O)c1cc(Cl)cc(Cn2cc(C[NH2+]C3CC3)nn2)c1O ZINC000880999490 691010783 /nfs/dbraw/zinc/01/07/83/691010783.db2.gz NWPFSGLNYNOEPQ-UHFFFAOYSA-N 1 0 320.780 2.140 20 10 DECDRO CCC1([NH+](C)C)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000881284385 691062923 /nfs/dbraw/zinc/06/29/23/691062923.db2.gz BWPKHTVXQDYORZ-UHFFFAOYSA-N 1 0 310.369 2.183 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC000881854335 691174406 /nfs/dbraw/zinc/17/44/06/691174406.db2.gz CECKLUWPHVGSMS-FVQHAEBGSA-N 1 0 313.445 2.101 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccc[nH]3)cc2)CC1 ZINC000881854128 691174552 /nfs/dbraw/zinc/17/45/52/691174552.db2.gz SYCVOYPNEIAFEL-TWGQIWQCSA-N 1 0 324.428 2.096 20 10 DECDRO COCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882960787 691397614 /nfs/dbraw/zinc/39/76/14/691397614.db2.gz WCEWSIQFQPHYON-UHFFFAOYSA-N 1 0 314.376 2.261 20 10 DECDRO CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883087071 691426484 /nfs/dbraw/zinc/42/64/84/691426484.db2.gz MZRBZLXDXBXSBC-UHFFFAOYSA-N 1 0 302.365 2.118 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC23OCCO3)cc1F ZINC000883178392 691449597 /nfs/dbraw/zinc/44/95/97/691449597.db2.gz VPFNYPZOFUPZCO-OAHLLOKOSA-N 1 0 312.360 2.416 20 10 DECDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCCSc1nccs1 ZINC000884138101 691664065 /nfs/dbraw/zinc/66/40/65/691664065.db2.gz DLYWRCHYUKZNDM-NSHDSACASA-N 1 0 301.481 2.376 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000885935620 691966245 /nfs/dbraw/zinc/96/62/45/691966245.db2.gz ONUDNWAPQQSUMJ-MAUKXSAKSA-N 1 0 302.418 2.244 20 10 DECDRO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000886109431 692004978 /nfs/dbraw/zinc/00/49/78/692004978.db2.gz KFFATOUUQKABLP-LRDDRELGSA-N 1 0 314.376 2.190 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1O ZINC000886334110 692059698 /nfs/dbraw/zinc/05/96/98/692059698.db2.gz RAYDQUKNFILJTC-HACGYAERSA-N 1 0 307.390 2.217 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])NCC3CC3)C2)cc1 ZINC000887361631 692345296 /nfs/dbraw/zinc/34/52/96/692345296.db2.gz DOAGGQVXKHDESA-CQSZACIVSA-N 1 0 302.422 2.045 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1 ZINC000932019977 694529621 /nfs/dbraw/zinc/52/96/21/694529621.db2.gz KUWYQQZLOGAJNE-YJBOKZPZSA-N 1 0 317.433 2.463 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000932059428 694538566 /nfs/dbraw/zinc/53/85/66/694538566.db2.gz OOIPVLDEKSEURW-IXDOHACOSA-N 1 0 302.418 2.384 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000890069653 692851551 /nfs/dbraw/zinc/85/15/51/692851551.db2.gz IXHCTXOUCYBFEO-OAHLLOKOSA-N 1 0 305.422 2.408 20 10 DECDRO CCCN(C[C@@H]1[C@H](C(=O)OC)C1(F)F)c1ccc(C[NH3+])cc1 ZINC000894569897 692986667 /nfs/dbraw/zinc/98/66/67/692986667.db2.gz NPMXJVJPISDHOH-ZIAGYGMSSA-N 1 0 312.360 2.416 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1O ZINC000927147577 693561108 /nfs/dbraw/zinc/56/11/08/693561108.db2.gz SVCKAWVTDKZTKF-OCCSQVGLSA-N 1 0 300.406 2.427 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000927152449 693561437 /nfs/dbraw/zinc/56/14/37/693561437.db2.gz USALDCFUBLAOCF-UKRRQHHQSA-N 1 0 313.449 2.479 20 10 DECDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335167021 1150380992 /nfs/dbraw/zinc/38/09/92/1150380992.db2.gz NDKSIYIVDJBZFN-CQSZACIVSA-N 1 0 323.456 2.481 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC001336060010 1150609506 /nfs/dbraw/zinc/60/95/06/1150609506.db2.gz IKNRWDVSUAYYNS-KRWDZBQOSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001346650165 1151011427 /nfs/dbraw/zinc/01/14/27/1151011427.db2.gz XGWSHHVTUIRGCD-HNNXBMFYSA-N 1 0 304.438 2.046 20 10 DECDRO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CC[NH2+]C1 ZINC001349899208 1151305447 /nfs/dbraw/zinc/30/54/47/1151305447.db2.gz ZMZRMZNWJKNLDY-HNNXBMFYSA-N 1 0 312.417 2.313 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1[NH2+]CC12CCCC2 ZINC001353071837 1151807903 /nfs/dbraw/zinc/80/79/03/1151807903.db2.gz KNINIHDKTSWQQH-KRWDZBQOSA-N 1 0 313.445 2.435 20 10 DECDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]2C1 ZINC001353199301 1151816182 /nfs/dbraw/zinc/81/61/82/1151816182.db2.gz PMKMFQYXSVWCCC-IYBDPMFKSA-N 1 0 310.397 2.456 20 10 DECDRO CC1(C)CN(C(=O)NCCCSc2nccs2)C[C@@H]1[NH3+] ZINC001353378027 1151827385 /nfs/dbraw/zinc/82/73/85/1151827385.db2.gz NOGSJGZUUVLGBJ-JTQLQIEISA-N 1 0 314.480 2.004 20 10 DECDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)c2ccccc21 ZINC001170995445 790402289 /nfs/dbraw/zinc/40/22/89/790402289.db2.gz LGMVKGNSYMTMQB-UHFFFAOYSA-N 1 0 302.374 2.177 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccc(Cl)n3)CC2)c1 ZINC001140622572 777430709 /nfs/dbraw/zinc/43/07/09/777430709.db2.gz AIEKMNCLUVVMOX-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001144509021 790941215 /nfs/dbraw/zinc/94/12/15/790941215.db2.gz HWKBVRIGCAUJGR-AWEZNQCLSA-N 1 0 301.342 2.457 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C)CC3)C2)cc1C ZINC000968757176 784575653 /nfs/dbraw/zinc/57/56/53/784575653.db2.gz BXMTURPZVVPHNV-OAHLLOKOSA-N 1 0 302.418 2.494 20 10 DECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691440429 785539203 /nfs/dbraw/zinc/53/92/03/785539203.db2.gz QHMXVJWHWKMVJQ-PRHODGIISA-N 1 0 320.252 2.357 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCn2cccc2)cc1C ZINC001135748162 789476241 /nfs/dbraw/zinc/47/62/41/789476241.db2.gz RTGCJSZAIGNVAE-UHFFFAOYSA-N 1 0 315.417 2.101 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1([NH+](C)C)CC1 ZINC001135800852 789502916 /nfs/dbraw/zinc/50/29/16/789502916.db2.gz SEJBJPGULWWWQE-UHFFFAOYSA-N 1 0 301.434 2.339 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H](C)C2)cc1C ZINC001135839181 789520729 /nfs/dbraw/zinc/52/07/29/789520729.db2.gz ZKEWNXIARPMIEY-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCCOC2)cc1C ZINC001135955744 789574946 /nfs/dbraw/zinc/57/49/46/789574946.db2.gz KAHZCKXWODWLJV-GOSISDBHSA-N 1 0 320.433 2.026 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H](n3ncnn3)C2)cc1 ZINC001173771588 793845711 /nfs/dbraw/zinc/84/57/11/793845711.db2.gz VFZUGFJHGOELKH-DLBZAZTESA-N 1 0 314.437 2.355 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1C ZINC001116092637 794939181 /nfs/dbraw/zinc/93/91/81/794939181.db2.gz QVYONCAMHWVZLS-HNNXBMFYSA-N 1 0 300.406 2.106 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001116810914 794989517 /nfs/dbraw/zinc/98/95/17/794989517.db2.gz HQERJDMMHCVTJG-HNNXBMFYSA-N 1 0 323.433 2.306 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001116810915 794990362 /nfs/dbraw/zinc/99/03/62/794990362.db2.gz HQERJDMMHCVTJG-OAHLLOKOSA-N 1 0 323.433 2.306 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC001179690698 795153648 /nfs/dbraw/zinc/15/36/48/795153648.db2.gz VUPZYTIWEIRLKP-RLWBPUTGSA-N 1 0 318.417 2.346 20 10 DECDRO C[NH2+][C@@H](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001118132338 795157277 /nfs/dbraw/zinc/15/72/77/795157277.db2.gz WXYFWZSMYIMXMB-NSHDSACASA-N 1 0 318.446 2.044 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]2N1 ZINC001118568869 795200779 /nfs/dbraw/zinc/20/07/79/795200779.db2.gz ZHAFBXCPTWLXAZ-AEFFLSMTSA-N 1 0 313.445 2.387 20 10 DECDRO COC[C@@](C)(CCO)[NH2+]Cc1c(O)cccc1Br ZINC001118855542 795233004 /nfs/dbraw/zinc/23/30/04/795233004.db2.gz IXBLRIYDWGDRDV-CYBMUJFWSA-N 1 0 318.211 2.032 20 10 DECDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118881722 795234748 /nfs/dbraw/zinc/23/47/48/795234748.db2.gz GELUZDFJTHYNAD-OAHLLOKOSA-N 1 0 323.456 2.170 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001180126408 795245523 /nfs/dbraw/zinc/24/55/23/795245523.db2.gz RGZZTJJVVBRBOT-KDALUPEMSA-N 1 0 313.445 2.318 20 10 DECDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001206445135 795441170 /nfs/dbraw/zinc/44/11/70/795441170.db2.gz NHQJKQLFEONXHR-RKDXNWHRSA-N 1 0 308.275 2.162 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121946297 795707915 /nfs/dbraw/zinc/70/79/15/795707915.db2.gz PGUBYMCCUDFSAZ-QAPCUYQASA-N 1 0 301.434 2.243 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC001122059577 795722459 /nfs/dbraw/zinc/72/24/59/795722459.db2.gz PBQGQRJESBXPJI-XJKSGUPXSA-N 1 0 319.449 2.154 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001137854275 796146464 /nfs/dbraw/zinc/14/64/64/796146464.db2.gz PGFSGDYLUULWEM-MJGOQNOKSA-N 1 0 314.429 2.269 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854106 796146641 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C[NH+](C)C1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662316 796552598 /nfs/dbraw/zinc/55/25/98/796552598.db2.gz OAXZVGRCUJVKFI-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140660451 796552670 /nfs/dbraw/zinc/55/26/70/796552670.db2.gz RYJWCQCSXBDQCE-IAGOWNOFSA-N 1 0 306.381 2.026 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC001140663410 796553066 /nfs/dbraw/zinc/55/30/66/796553066.db2.gz CSMTVRPWIYOVNZ-UHFFFAOYSA-N 1 0 320.408 2.417 20 10 DECDRO Cc1cccnc1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140741680 796565545 /nfs/dbraw/zinc/56/55/45/796565545.db2.gz AKAXLEJPQNPXNP-UHFFFAOYSA-N 1 0 313.401 2.432 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCN(Cc3ccco3)CC2)c1O ZINC001140746051 796566627 /nfs/dbraw/zinc/56/66/27/796566627.db2.gz UAZIMJRGIKEPOG-UHFFFAOYSA-N 1 0 302.374 2.317 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1O ZINC001140745732 796566722 /nfs/dbraw/zinc/56/67/22/796566722.db2.gz MXLRWLAPFYAVJK-UHFFFAOYSA-N 1 0 318.417 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COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160566 796642666 /nfs/dbraw/zinc/64/26/66/796642666.db2.gz ZGLDLZPFIQAXQJ-IAGOWNOFSA-N 1 0 307.390 2.115 20 10 DECDRO CC[C@H]1[N@H+](Cc2cc(O)ccc2O)CCC[C@]12CCC(=O)N2 ZINC001141160549 796643007 /nfs/dbraw/zinc/64/30/07/796643007.db2.gz YTWLMOCGSFUWQH-WBVHZDCISA-N 1 0 304.390 2.121 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc[nH]2)cc1C ZINC001154567099 797563563 /nfs/dbraw/zinc/56/35/63/797563563.db2.gz DRWDMZABQNLEBE-UHFFFAOYSA-N 1 0 301.390 2.241 20 10 DECDRO CCN1CC[C@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001203593796 800086159 /nfs/dbraw/zinc/08/61/59/800086159.db2.gz QMQAOBYKYIYHOZ-SFHVURJKSA-N 1 0 318.417 2.235 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c1O ZINC001203608520 800089335 /nfs/dbraw/zinc/08/93/35/800089335.db2.gz SEQKYSOLXPFOMH-GOSISDBHSA-N 1 0 318.417 2.378 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1O ZINC001203614178 800089957 /nfs/dbraw/zinc/08/99/57/800089957.db2.gz 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ZINC001205117098 800298717 /nfs/dbraw/zinc/29/87/17/800298717.db2.gz KPBFMEFJRAZQRV-ZDUSSCGKSA-N 1 0 315.417 2.278 20 10 DECDRO Cn1ccc2c1ncnc2-c1ccc(OCCC[NH+](C)C)nc1 ZINC001205198096 800313812 /nfs/dbraw/zinc/31/38/12/800313812.db2.gz JQJXKOMGJIWRMY-UHFFFAOYSA-N 1 0 311.389 2.361 20 10 DECDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828624 800428590 /nfs/dbraw/zinc/42/85/90/800428590.db2.gz MAEHRHHUNBXREZ-QAPCUYQASA-N 1 0 317.477 2.207 20 10 DECDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)CC(F)(F)C1 ZINC001206116684 800474934 /nfs/dbraw/zinc/47/49/34/800474934.db2.gz DQPSEPVQBLCUSB-JTQLQIEISA-N 1 0 321.165 2.323 20 10 DECDRO COc1cc(O)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(Cl)c1 ZINC001206146667 800480669 /nfs/dbraw/zinc/48/06/69/800480669.db2.gz XIKOJBBFDCKLEB-QMMMGPOBSA-N 1 0 306.740 2.223 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c(Cl)c1 ZINC001206200730 800488359 /nfs/dbraw/zinc/48/83/59/800488359.db2.gz SSJRGIPQRPYPCG-STQMWFEESA-N 1 0 302.777 2.315 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3C[C@H](F)C[C@H]([NH3+])C3)ccc2O1 ZINC001206457969 800536214 /nfs/dbraw/zinc/53/62/14/800536214.db2.gz VYXODVQGLILUDQ-OLZOCXBDSA-N 1 0 306.381 2.448 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC001209516426 801206203 /nfs/dbraw/zinc/20/62/03/801206203.db2.gz GHBBFBQDFVYWEF-SFHVURJKSA-N 1 0 300.402 2.287 20 10 DECDRO Cc1cccc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c1O ZINC001231592910 801691759 /nfs/dbraw/zinc/69/17/59/801691759.db2.gz LKTRLDGJBZXXSF-RDJZCZTQSA-N 1 0 323.396 2.190 20 10 DECDRO COc1cc(C[N@@H+]2CCc3cc(CO)ccc3C2)c(O)cc1O ZINC001231635195 801701027 /nfs/dbraw/zinc/70/10/27/801701027.db2.gz WFTFIGLFCGIOMS-UHFFFAOYSA-N 1 0 315.369 2.157 20 10 DECDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231638872 801702252 /nfs/dbraw/zinc/70/22/52/801702252.db2.gz HVYNVWKEUNEUJG-QGZVFWFLSA-N 1 0 323.389 2.272 20 10 DECDRO COc1cc(C[NH+]2CCC(n3cccn3)CC2)c(O)cc1O ZINC001231637624 801702303 /nfs/dbraw/zinc/70/23/03/801702303.db2.gz OREWNFODVPTDFJ-UHFFFAOYSA-N 1 0 303.362 2.140 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)o3)C2)c(O)cc1O ZINC001231638876 801702355 /nfs/dbraw/zinc/70/23/55/801702355.db2.gz HXEIBWWKCADTMB-LLVKDONJSA-N 1 0 319.361 2.177 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198123 801814905 /nfs/dbraw/zinc/81/49/05/801814905.db2.gz IRDKYOTVZVQCDB-OAHLLOKOSA-N 1 0 324.852 2.381 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001232268766 801833305 /nfs/dbraw/zinc/83/33/05/801833305.db2.gz UQRUQXWTYCELBW-YPMHNXCESA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268397 801833372 /nfs/dbraw/zinc/83/33/72/801833372.db2.gz OZXBEBUNDCYTBK-KOLCDFICSA-N 1 0 313.781 2.382 20 10 DECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270246 801835716 /nfs/dbraw/zinc/83/57/16/801835716.db2.gz ZFNNSJAKFBFUGR-SNVBAGLBSA-N 1 0 313.781 2.439 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](O)CC2)c2ccccc2n1C ZINC001232402796 801870994 /nfs/dbraw/zinc/87/09/94/801870994.db2.gz PUTMUNUVGWCARS-CYBMUJFWSA-N 1 0 316.401 2.312 20 10 DECDRO COC(=O)c1c(CN(C)[C@H]2CC[N@H+](C)C2)c2ccccc2n1C ZINC001232407138 801872786 /nfs/dbraw/zinc/87/27/86/801872786.db2.gz LCJVRQMDICMIBI-ZDUSSCGKSA-N 1 0 315.417 2.101 20 10 DECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840993 801970840 /nfs/dbraw/zinc/97/08/40/801970840.db2.gz PJBHBQMHILJNBE-CYBMUJFWSA-N 1 0 306.406 2.233 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](O)C[C@H]2C)c2ccccc2n1C ZINC001233270353 802060411 /nfs/dbraw/zinc/06/04/11/802060411.db2.gz KRNQLPKVCGYGJB-CHWSQXEVSA-N 1 0 316.401 2.310 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001233284321 802064294 /nfs/dbraw/zinc/06/42/94/802064294.db2.gz QHAMRKRERGYAFO-INIZCTEOSA-N 1 0 304.434 2.206 20 10 DECDRO CC[NH+]1C[C@H]2CN(Cc3cc(Cl)cc(OC)c3O)C[C@@H]2C1 ZINC001233291404 802066573 /nfs/dbraw/zinc/06/65/73/802066573.db2.gz ZRLXQPLCQYPJJC-STQMWFEESA-N 1 0 310.825 2.438 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(N)n1 ZINC001233371377 802094581 /nfs/dbraw/zinc/09/45/81/802094581.db2.gz NKLVUHKFVOZDLS-UHFFFAOYSA-N 1 0 312.417 2.132 20 10 DECDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CCC[NH2+]C1 ZINC001217962517 802125298 /nfs/dbraw/zinc/12/52/98/802125298.db2.gz WUTLVRYRIHYKEL-LLVKDONJSA-N 1 0 323.348 2.298 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)cccc21 ZINC001218148478 802146809 /nfs/dbraw/zinc/14/68/09/802146809.db2.gz YNKDGHSXVAPIKS-HRBWSGTNSA-N 1 0 319.360 2.449 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727762 802191048 /nfs/dbraw/zinc/19/10/48/802191048.db2.gz PHDWTIBLGQBANL-ZJUUUORDSA-N 1 0 309.259 2.196 20 10 DECDRO Nc1ccc(CC(=O)Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001219236695 802300730 /nfs/dbraw/zinc/30/07/30/802300730.db2.gz YSIWTFIVMMFSAP-MRXNPFEDSA-N 1 0 324.428 2.378 20 10 DECDRO Cn1cc(C[C@H]([NH3+])C(=O)NCc2ccccc2O)c2ccccc21 ZINC001219923624 802390359 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[NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCN3)C1 ZINC001522358613 1069345833 /nfs/dbraw/zinc/34/58/33/1069345833.db2.gz OMJYLEFXMLCCLL-CYBMUJFWSA-N 1 0 307.397 2.432 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603655790 1070022925 /nfs/dbraw/zinc/02/29/25/1070022925.db2.gz ARJWKJSZCFONDV-UWVGGRQHSA-N 1 0 305.407 2.119 20 10 DECDRO CCN1C[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001328709182 1148826678 /nfs/dbraw/zinc/82/66/78/1148826678.db2.gz VOFCIARFEZGURQ-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+](C)C)C2)cc1OC ZINC001472681799 1060567712 /nfs/dbraw/zinc/56/77/12/1060567712.db2.gz QJPPXLTZEXIICS-LBPRGKRZSA-N 1 0 323.393 2.390 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)COC(C)C)cc1C ZINC001505570866 1060724420 /nfs/dbraw/zinc/72/44/20/1060724420.db2.gz NIQVVEFHRBZNMU-HUUCEWRRSA-N 1 0 322.449 2.411 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccnc2N)N(C)C)cc1 ZINC001474741926 1060930021 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CC[NH+](CC)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001620778257 1066648997 /nfs/dbraw/zinc/64/89/97/1066648997.db2.gz KASMPZOZDNSOAI-HNNXBMFYSA-N 1 0 323.456 2.482 20 10 DECDRO CCN(C)c1ccc(CN2C[C@@H](C)O[C@]3(CC[NH2+]C3)C2)cc1 ZINC001577657513 1066898405 /nfs/dbraw/zinc/89/84/05/1066898405.db2.gz MFZWWTQAFUCWAP-QAPCUYQASA-N 1 0 303.450 2.096 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001578489868 1067117905 /nfs/dbraw/zinc/11/79/05/1067117905.db2.gz RIZQLERUQMPXOY-MRXNPFEDSA-N 1 0 316.449 2.180 20 10 DECDRO COc1ccc(CN[C@H]2C[NH2+]CC2(C)C)cc1Cn1cccn1 ZINC001579216467 1067263167 /nfs/dbraw/zinc/26/31/67/1067263167.db2.gz VXWOXIKIEXQQGF-KRWDZBQOSA-N 1 0 314.433 2.028 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC001579616985 1067386640 /nfs/dbraw/zinc/38/66/40/1067386640.db2.gz JPWNDPSJCDGAKR-ZBFHGGJFSA-N 1 0 318.465 2.125 20 10 DECDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579674615 1067402525 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CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(C(N)=O)nc2)cc1 ZINC001560393234 1075138958 /nfs/dbraw/zinc/13/89/58/1075138958.db2.gz QFCDURXIOWMXIF-ARJAWSKDSA-N 1 0 310.401 2.050 20 10 DECDRO OC[C@@]1([C@H]([NH2+]Cc2ccc(Cl)cc2O)C2CC2)CCCO1 ZINC001560855386 1075146940 /nfs/dbraw/zinc/14/69/40/1075146940.db2.gz XWCMOCJNZIHAAS-HZPDHXFCSA-N 1 0 311.809 2.455 20 10 DECDRO COCC(C)(C)[NH+]1CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001560896015 1075147587 /nfs/dbraw/zinc/14/75/87/1075147587.db2.gz IFQMKQZCZWZBLZ-UHFFFAOYSA-N 1 0 322.449 2.252 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560936831 1075148423 /nfs/dbraw/zinc/14/84/23/1075148423.db2.gz KSKQURYDCZEBFT-QGZVFWFLSA-N 1 0 307.390 2.280 20 10 DECDRO Oc1cc(Cl)ccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC001561015411 1075148918 /nfs/dbraw/zinc/14/89/18/1075148918.db2.gz VJYQBFSZPQTUBA-UHFFFAOYSA-N 1 0 311.809 2.457 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ncoc2C)cc1C ZINC001567002233 1075413369 /nfs/dbraw/zinc/41/33/69/1075413369.db2.gz PBBYNDUXGIAIPQ-GFCCVEGCSA-N 1 0 317.389 2.208 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c(O)c1 ZINC001592165916 1076865074 /nfs/dbraw/zinc/86/50/74/1076865074.db2.gz OOFAPUYRRMOOJL-UHFFFAOYSA-N 1 0 301.375 2.232 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CCN(C(=O)CC)C2)ccc1OC ZINC001655909679 1080025736 /nfs/dbraw/zinc/02/57/36/1080025736.db2.gz WNKMEYGFSIDZGT-MRXNPFEDSA-N 1 0 320.433 2.332 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001656290999 1080077022 /nfs/dbraw/zinc/07/70/22/1080077022.db2.gz XNQVUFARDRNHJP-ZDUSSCGKSA-N 1 0 309.385 2.212 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)cc1F ZINC001656711892 1080117704 /nfs/dbraw/zinc/11/77/04/1080117704.db2.gz PGXCCZDBQHQVRS-OAHLLOKOSA-N 1 0 318.392 2.421 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CC2 ZINC001657068744 1080152638 /nfs/dbraw/zinc/15/26/38/1080152638.db2.gz WSCWQPHJMHKZSF-INIZCTEOSA-N 1 0 311.433 2.291 20 10 DECDRO COCCOC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001658808600 1080218746 /nfs/dbraw/zinc/21/87/46/1080218746.db2.gz YEDFFHHWKKNJDU-CQSZACIVSA-N 1 0 309.406 2.194 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)c(O)c1 ZINC001659439568 1080241044 /nfs/dbraw/zinc/24/10/44/1080241044.db2.gz SFJFGPLGFKBOOG-CQSZACIVSA-N 1 0 317.385 2.108 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC001659762143 1080250872 /nfs/dbraw/zinc/25/08/72/1080250872.db2.gz AVPYJAUQZWVUFN-GJZGRUSLSA-N 1 0 320.433 2.004 20 10 DECDRO CCN1CCC[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001660178914 1080283236 /nfs/dbraw/zinc/28/32/36/1080283236.db2.gz YNGAKXPLQNSZRP-IEBWSBKVSA-N 1 0 318.509 2.429 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CCO1 ZINC001237077799 1080441721 /nfs/dbraw/zinc/44/17/21/1080441721.db2.gz KIIBPZRINWWABP-JTQLQIEISA-N 1 0 319.232 2.461 20 10 DECDRO C[NH2+][C@@]12CC[C@@](NC(=O)/C=C/c3ccc(O)c(O)c3)(C1)CCC2 ZINC001270703869 1081605773 /nfs/dbraw/zinc/60/57/73/1081605773.db2.gz UGFOGWJGVPCRFO-UKZKYTFVSA-N 1 0 316.401 2.292 20 10 DECDRO COc1ccc(Br)c(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205189570 1083421452 /nfs/dbraw/zinc/42/14/52/1083421452.db2.gz BQWYDZLXDJPVLD-LDYMZIIASA-N 1 0 315.211 2.085 20 10 DECDRO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc1O ZINC001276516430 1083477423 /nfs/dbraw/zinc/47/74/23/1083477423.db2.gz BTTMZXKCWZHZGM-GJZGRUSLSA-N 1 0 318.417 2.395 20 10 DECDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001276380315 1083746206 /nfs/dbraw/zinc/74/62/06/1083746206.db2.gz OVGULGPXZDGRMN-HOTGVXAUSA-N 1 0 323.868 2.256 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@H](C(=O)OC)C3)cc2)CC1 ZINC001234657434 1084188772 /nfs/dbraw/zinc/18/87/72/1084188772.db2.gz DBTWNVVRPOOPQZ-CZIWCDLHSA-N 1 0 318.417 2.159 20 10 DECDRO Cc1cc(CN2CCNC[C@]23CC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001234982277 1084258638 /nfs/dbraw/zinc/25/86/38/1084258638.db2.gz OONBJZYHIZZVQT-HXUWFJFHSA-N 1 0 324.472 2.231 20 10 DECDRO Oc1c(CN2CCNC[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001234986671 1084261613 /nfs/dbraw/zinc/26/16/13/1084261613.db2.gz BPNLWGYGSNQGJX-HXUWFJFHSA-N 1 0 323.440 2.197 20 10 DECDRO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)cc1Br ZINC001235088064 1084304844 /nfs/dbraw/zinc/30/48/44/1084304844.db2.gz LEVWVEKUNSMTFM-CHWSQXEVSA-N 1 0 311.223 2.399 20 10 DECDRO CCN(CC)c1ccc(CN2CC3(C2)CCC[NH2+]3)c(OC)c1 ZINC001235201367 1084342208 /nfs/dbraw/zinc/34/22/08/1084342208.db2.gz GGNVBXCDAZWWPW-UHFFFAOYSA-N 1 0 303.450 2.479 20 10 DECDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902490 1084453216 /nfs/dbraw/zinc/45/32/16/1084453216.db2.gz DHMMKBUPACTHOQ-ACJLOTCBSA-N 1 0 318.417 2.321 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235681487 1084496019 /nfs/dbraw/zinc/49/60/19/1084496019.db2.gz MMILOOXYYRNZEB-MRXNPFEDSA-N 1 0 321.417 2.454 20 10 DECDRO CC[C@H]1C[NH2+]CCN1Cc1cccc(OC(F)(F)F)c1O ZINC001235773475 1084524269 /nfs/dbraw/zinc/52/42/69/1084524269.db2.gz NOKHJEPPFQGECR-NSHDSACASA-N 1 0 304.312 2.475 20 10 DECDRO CC(C)C[C@H]1CN(Cc2ccc3c(c2)OCCN3C)CC[NH2+]1 ZINC001235881854 1084557391 /nfs/dbraw/zinc/55/73/91/1084557391.db2.gz SFHJZMYSYXSDIG-INIZCTEOSA-N 1 0 303.450 2.335 20 10 DECDRO C[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@H](C)[NH2+]1 ZINC001235901353 1084560492 /nfs/dbraw/zinc/56/04/92/1084560492.db2.gz KYFZXZLIUYPECY-AOOOYVTPSA-N 1 0 304.312 2.473 20 10 DECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976893 1084579032 /nfs/dbraw/zinc/57/90/32/1084579032.db2.gz DKZAYNCQNLKMJK-DNVCBOLYSA-N 1 0 313.445 2.014 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(OC)c1 ZINC001235978443 1084579577 /nfs/dbraw/zinc/57/95/77/1084579577.db2.gz JGKVUYIHRJKWIW-MAUKXSAKSA-N 1 0 303.450 2.465 20 10 DECDRO CCCC[C@H]1CN(Cc2ccc3c(c2)OCCN3C)CC[NH2+]1 ZINC001236137493 1084619941 /nfs/dbraw/zinc/61/99/41/1084619941.db2.gz MIRCRSIDNZKEIV-INIZCTEOSA-N 1 0 303.450 2.479 20 10 DECDRO CCN(CC[NH2+]C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001236143053 1084620282 /nfs/dbraw/zinc/62/02/82/1084620282.db2.gz 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ZINC001545684135 1093007014 /nfs/dbraw/zinc/00/70/14/1093007014.db2.gz LKPHMIMOZKCQAE-GFCCVEGCSA-N 1 0 306.406 2.452 20 10 DECDRO COCCN(Cc1c(O)ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236333002 1138353424 /nfs/dbraw/zinc/35/34/24/1138353424.db2.gz VXVBYAMFTJUNGY-LLVKDONJSA-N 1 0 316.804 2.385 20 10 DECDRO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236786330 1138427468 /nfs/dbraw/zinc/42/74/68/1138427468.db2.gz AROHXSKEQWYSBQ-GDBMZVCRSA-N 1 0 302.418 2.397 20 10 DECDRO CCc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(O)c1 ZINC001236787181 1138428237 /nfs/dbraw/zinc/42/82/37/1138428237.db2.gz HGVHXTROQRMKDA-UHFFFAOYSA-N 1 0 305.422 2.190 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(Cl)c1 ZINC001236800256 1138431317 /nfs/dbraw/zinc/43/13/17/1138431317.db2.gz XIJQOVGLUAKXLC-QWHCGFSZSA-N 1 0 303.761 2.349 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(C)(C(N)=O)CC2)c(Cl)c1 ZINC001236801931 1138433419 /nfs/dbraw/zinc/43/34/19/1138433419.db2.gz FNGFXQQAKHTGPQ-UHFFFAOYSA-N 1 0 312.797 2.142 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1138756504 /nfs/dbraw/zinc/75/65/04/1138756504.db2.gz GCRYOEVNEIORNO-UHFFFAOYSA-N 1 0 320.433 2.468 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001238066179 1138819547 /nfs/dbraw/zinc/81/95/47/1138819547.db2.gz JEGNZMTUZBRAIQ-DOMZBBRYSA-N 1 0 306.381 2.282 20 10 DECDRO Cn1ccc2ccc(-c3nccnc3N3CC[NH+](C)CC3)cc21 ZINC001240572254 1139433096 /nfs/dbraw/zinc/43/30/96/1139433096.db2.gz OLKQMUADYRLMPH-UHFFFAOYSA-N 1 0 307.401 2.387 20 10 DECDRO c1cc(N2CC[NH2+]CC2)ccc1C1=CCC2(CC1)OCCO2 ZINC001240706453 1139528785 /nfs/dbraw/zinc/52/87/85/1139528785.db2.gz YDKOYUDMFBENDU-UHFFFAOYSA-N 1 0 300.402 2.407 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001320342863 1140852126 /nfs/dbraw/zinc/85/21/26/1140852126.db2.gz JUZGZHLEMSITPW-YOEHRIQHSA-N 1 0 320.433 2.167 20 10 DECDRO COc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)c(O)c1 ZINC001321219674 1141088889 /nfs/dbraw/zinc/08/88/89/1141088889.db2.gz JIOPTMACTQXHGG-UHFFFAOYSA-N 1 0 311.341 2.287 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@](C)(N)CO)n2)cc1 ZINC001247618151 1141390049 /nfs/dbraw/zinc/39/00/49/1141390049.db2.gz FHSMDSXAWTYKCQ-KRWDZBQOSA-N 1 0 312.373 2.310 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1 ZINC001249185209 1141857767 /nfs/dbraw/zinc/85/77/67/1141857767.db2.gz JGMXIXKPBMKKPV-YLQAJVPDSA-N 1 0 319.401 2.107 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@H](F)C[C@H]3CO)ccc2O1 ZINC001249223241 1141862494 /nfs/dbraw/zinc/86/24/94/1141862494.db2.gz CFXIPWDVIZBNNH-OLZOCXBDSA-N 1 0 307.365 2.481 20 10 DECDRO CN1CCN(c2ccc(C[NH+]3CC(C4CC4)C3)cc2F)CC1 ZINC001324270635 1142045481 /nfs/dbraw/zinc/04/54/81/1142045481.db2.gz VVCONVYBKAATFT-UHFFFAOYSA-N 1 0 303.425 2.419 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001324276655 1142045875 /nfs/dbraw/zinc/04/58/75/1142045875.db2.gz TWJCRCVWZBPIOW-GOSISDBHSA-N 1 0 321.440 2.092 20 10 DECDRO COC1CCN(c2ccc(C[NH2+]C(C)(C)CC(N)=O)cc2)CC1 ZINC001324428071 1142075557 /nfs/dbraw/zinc/07/55/57/1142075557.db2.gz FDAKYYZQNBSWSH-UHFFFAOYSA-N 1 0 319.449 2.045 20 10 DECDRO Oc1cccc2c1C[N@H+](C[C@H](O)COc1cccc(F)c1)CC2 ZINC001250805997 1142320329 /nfs/dbraw/zinc/32/03/29/1142320329.db2.gz LQPKTWHAULWXMH-HNNXBMFYSA-N 1 0 317.360 2.329 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C[C@@H](O)C[NH+](CC)CC ZINC001253196932 1142852573 /nfs/dbraw/zinc/85/25/73/1142852573.db2.gz ZVZPGPIYFGMEBR-SFHVURJKSA-N 1 0 307.482 2.277 20 10 DECDRO Oc1ccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)cc1O ZINC001253294232 1142862019 /nfs/dbraw/zinc/86/20/19/1142862019.db2.gz QEEBMKFMRWMAIS-INIZCTEOSA-N 1 0 317.385 2.155 20 10 DECDRO C[C@H](NC(=O)CC(C)(C)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001340064294 1143251162 /nfs/dbraw/zinc/25/11/62/1143251162.db2.gz SJEZORYUOODDRQ-AWEZNQCLSA-N 1 0 319.449 2.075 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C2CC([NH2+]C)C2)cc1 ZINC001340152225 1143281286 /nfs/dbraw/zinc/28/12/86/1143281286.db2.gz TUEIQHMYMFWXGM-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001255194680 1143483339 /nfs/dbraw/zinc/48/33/39/1143483339.db2.gz MZGCCDOUYDRQKH-BTTYYORXSA-N 1 0 320.389 2.339 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC001261601417 1144259474 /nfs/dbraw/zinc/25/94/74/1144259474.db2.gz OBRXVTMMWLQWPX-HWWDLCQESA-N 1 0 303.425 2.466 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1Cl ZINC001261677242 1144266329 /nfs/dbraw/zinc/26/63/29/1144266329.db2.gz KURQFKZZWWHYOB-UHFFFAOYSA-N 1 0 323.824 2.344 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1F ZINC001261788393 1144276665 /nfs/dbraw/zinc/27/66/65/1144276665.db2.gz VBLSXOZJLKUFNC-LBPRGKRZSA-N 1 0 312.282 2.434 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(F)F)cc1C ZINC001282085963 1144966803 /nfs/dbraw/zinc/96/68/03/1144966803.db2.gz YEJGSDURSNTECB-GHMZBOCLSA-N 1 0 300.349 2.252 20 10 DECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308410455 1147471202 /nfs/dbraw/zinc/47/12/02/1147471202.db2.gz CJRNJMIZCUGCKL-SJLPKXTDSA-N 1 0 321.440 2.235 20 10 DECDRO COCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318348970 1147814099 /nfs/dbraw/zinc/81/40/99/1147814099.db2.gz VSZHFIQJKMLSBM-UHFFFAOYSA-N 1 0 309.429 2.092 20 10 DECDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325383448 1147898158 /nfs/dbraw/zinc/89/81/58/1147898158.db2.gz QNBIFDXQJAMNCF-HNNXBMFYSA-N 1 0 323.456 2.340 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCc3cncn3C)CC2)cc1 ZINC001325501845 1147928985 /nfs/dbraw/zinc/92/89/85/1147928985.db2.gz LCVHSRAIBNEYSI-UHFFFAOYSA-N 1 0 314.433 2.184 20 10 DECDRO Cc1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)c(O)c1 ZINC001353605236 1151841514 /nfs/dbraw/zinc/84/15/14/1151841514.db2.gz QVPDOTDBTHWFDW-UHFFFAOYSA-N 1 0 304.434 2.434 20 10 DECDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCCc4ccccc43)c21 ZINC000592476370 357883401 /nfs/dbraw/zinc/88/34/01/357883401.db2.gz BZZILXFVVZTPNY-CQSZACIVSA-N 1 0 310.401 2.312 20 10 DECDRO Cc1cccc2c1N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CC2 ZINC000592561632 357901619 /nfs/dbraw/zinc/90/16/19/357901619.db2.gz GQTZAXZBQOMWNV-CQSZACIVSA-N 1 0 310.401 2.231 20 10 DECDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092067557 193153028 /nfs/dbraw/zinc/15/30/28/193153028.db2.gz RUWGMSMVBIAZMG-INIZCTEOSA-N 1 0 309.406 2.418 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000105205972 194084980 /nfs/dbraw/zinc/08/49/80/194084980.db2.gz QWPLSBDSKDYHED-AWEZNQCLSA-N 1 0 322.428 2.127 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000369331977 533441650 /nfs/dbraw/zinc/44/16/50/533441650.db2.gz RMPFIZZJBWZYGO-UHFFFAOYSA-N 1 0 310.350 2.310 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000273533148 130134020 /nfs/dbraw/zinc/13/40/20/130134020.db2.gz WTIWINHFDXGHES-PWSUYJOCSA-N 1 0 317.389 2.492 20 10 DECDRO COCCOCCOCCC[NH2+]Cc1c(O)cccc1Cl ZINC000274397438 130231188 /nfs/dbraw/zinc/23/11/88/130231188.db2.gz MDQKKVURKGVIBR-UHFFFAOYSA-N 1 0 317.813 2.205 20 10 DECDRO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000274849255 130266653 /nfs/dbraw/zinc/26/66/53/130266653.db2.gz AWJWNZQMSSRVPE-UHFFFAOYSA-N 1 0 324.428 2.319 20 10 DECDRO Cc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1O ZINC000275566049 130337436 /nfs/dbraw/zinc/33/74/36/130337436.db2.gz ODMZUMDYYIMJFN-DOTOQJQBSA-N 1 0 301.390 2.444 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000037982468 401918844 /nfs/dbraw/zinc/91/88/44/401918844.db2.gz IWEBSCKWDMPGRY-HNNXBMFYSA-N 1 0 310.463 2.057 20 10 DECDRO CCn1nccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000121308557 402027306 /nfs/dbraw/zinc/02/73/06/402027306.db2.gz GKUXXRWRCOTBAQ-UHFFFAOYSA-N 1 0 314.433 2.372 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(O)c1 ZINC000121492451 402039612 /nfs/dbraw/zinc/03/96/12/402039612.db2.gz LLYAYQCSRRDSNJ-MRXNPFEDSA-N 1 0 318.417 2.424 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000125697218 402245362 /nfs/dbraw/zinc/24/53/62/402245362.db2.gz VCWYUTPEJJBSOE-CYBMUJFWSA-N 1 0 310.825 2.342 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000184689179 402292157 /nfs/dbraw/zinc/29/21/57/402292157.db2.gz COEXIQDULCHHJD-ZDUSSCGKSA-N 1 0 322.796 2.483 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333761 402344575 /nfs/dbraw/zinc/34/45/75/402344575.db2.gz GISMNJLDANBDIY-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345138 402345718 /nfs/dbraw/zinc/34/57/18/402345718.db2.gz BWASJZQMCQFWHE-HUUCEWRRSA-N 1 0 323.456 2.456 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000237121475 402396292 /nfs/dbraw/zinc/39/62/92/402396292.db2.gz BMGQEUDXCZBZHR-GOSISDBHSA-N 1 0 309.413 2.083 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(F)ccc1O ZINC000186028254 402397543 /nfs/dbraw/zinc/39/75/43/402397543.db2.gz XLFLZABFZRHPQD-SNVBAGLBSA-N 1 0 303.399 2.395 20 10 DECDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Br)cc1O ZINC000186221744 402412811 /nfs/dbraw/zinc/41/28/11/402412811.db2.gz IBYNYUZNMDUQPS-MRVPVSSYSA-N 1 0 315.211 2.317 20 10 DECDRO COc1ccc(OC)c2c1CN(Cc1ccccc1O)C[C@H]2O ZINC000179554263 402594217 /nfs/dbraw/zinc/59/42/17/402594217.db2.gz YSDFBKZSLGHSOY-OAHLLOKOSA-N 1 0 315.369 2.459 20 10 DECDRO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179559132 402594249 /nfs/dbraw/zinc/59/42/49/402594249.db2.gz ZVGCOTLVPUVCOD-HNNXBMFYSA-N 1 0 300.358 2.266 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000179755712 402599675 /nfs/dbraw/zinc/59/96/75/402599675.db2.gz YNMASQIROPXHKJ-GFCCVEGCSA-N 1 0 303.362 2.472 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000179745648 402599758 /nfs/dbraw/zinc/59/97/58/402599758.db2.gz ZAYOUKZYHWEASV-UHFFFAOYSA-N 1 0 305.422 2.417 20 10 DECDRO Oc1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCCC1)OCO2 ZINC000172485450 402658516 /nfs/dbraw/zinc/65/85/16/402658516.db2.gz JIUXOWIWDQSZQU-AWEZNQCLSA-N 1 0 304.390 2.181 20 10 DECDRO Cc1c(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)cnn1C ZINC000255148507 402680272 /nfs/dbraw/zinc/68/02/72/402680272.db2.gz MIDJKXALBZEATG-KHPPLWFESA-N 1 0 312.417 2.337 20 10 DECDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000262603496 402727672 /nfs/dbraw/zinc/72/76/72/402727672.db2.gz YISBCWUXMXCOCF-OAHLLOKOSA-N 1 0 312.417 2.219 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1F ZINC000192524588 402734478 /nfs/dbraw/zinc/73/44/78/402734478.db2.gz SUSKXCMQWLVVJX-SFHVURJKSA-N 1 0 315.392 2.382 20 10 DECDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000192932350 402757639 /nfs/dbraw/zinc/75/76/39/402757639.db2.gz SWSQWOFTFRDLMK-CQSZACIVSA-N 1 0 310.413 2.476 20 10 DECDRO COc1c(O)c(CN2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278390089 402863719 /nfs/dbraw/zinc/86/37/19/402863719.db2.gz MRJXVUAQUVAFFA-ZDUSSCGKSA-N 1 0 323.393 2.225 20 10 DECDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278917277 402885424 /nfs/dbraw/zinc/88/54/24/402885424.db2.gz UFOYIQAEPCXNQR-NSHDSACASA-N 1 0 311.382 2.129 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000279647882 402960687 /nfs/dbraw/zinc/96/06/87/402960687.db2.gz KAUJNHXDPKTYTO-HNNXBMFYSA-N 1 0 310.350 2.046 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280619465 403019713 /nfs/dbraw/zinc/01/97/13/403019713.db2.gz ZPGIVZFHGKTBGP-OGHNNQOOSA-N 1 0 307.390 2.169 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000280972444 403055902 /nfs/dbraw/zinc/05/59/02/403055902.db2.gz LKTWJYROWQMOCZ-OCCSQVGLSA-N 1 0 306.406 2.310 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000268232434 403064648 /nfs/dbraw/zinc/06/46/48/403064648.db2.gz LTXPZNHWNDBXIW-AWEZNQCLSA-N 1 0 305.422 2.169 20 10 DECDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000281605410 403073983 /nfs/dbraw/zinc/07/39/83/403073983.db2.gz MMKFRWODTUVWKN-KOLCDFICSA-N 1 0 318.211 2.203 20 10 DECDRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000268735872 403111191 /nfs/dbraw/zinc/11/11/91/403111191.db2.gz DFWZEKZRQOGJIH-CJNGLKHVSA-N 1 0 310.463 2.228 20 10 DECDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268803267 403115633 /nfs/dbraw/zinc/11/56/33/403115633.db2.gz BQOZJAFTVKNIHV-CQSZACIVSA-N 1 0 310.413 2.301 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269911211 403175416 /nfs/dbraw/zinc/17/54/16/403175416.db2.gz IHHBXTXYVRZLEQ-SJLPKXTDSA-N 1 0 301.386 2.275 20 10 DECDRO COc1cccc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1O ZINC000271149298 403269141 /nfs/dbraw/zinc/26/91/41/403269141.db2.gz AKZACJSAFFHIRI-UHFFFAOYSA-N 1 0 307.390 2.376 20 10 DECDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271172702 403273088 /nfs/dbraw/zinc/27/30/88/403273088.db2.gz FZSUGYJAKGKOTN-HNNXBMFYSA-N 1 0 310.413 2.377 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292164667 403309901 /nfs/dbraw/zinc/30/99/01/403309901.db2.gz VJZIUMGHJRRIHC-CYBMUJFWSA-N 1 0 303.406 2.010 20 10 DECDRO Cc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1N(C)C ZINC000292738006 403376452 /nfs/dbraw/zinc/37/64/52/403376452.db2.gz HCILHDSYRLSPCG-UHFFFAOYSA-N 1 0 304.434 2.442 20 10 DECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(COCC)c1)C(C)C ZINC000292969900 403384529 /nfs/dbraw/zinc/38/45/29/403384529.db2.gz MGDTXSJPKWUJOA-KRWDZBQOSA-N 1 0 322.449 2.482 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC000339898592 403487485 /nfs/dbraw/zinc/48/74/85/403487485.db2.gz AHZLPKKJMGCBMQ-UHFFFAOYSA-N 1 0 322.368 2.440 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1OC ZINC000293635219 403524396 /nfs/dbraw/zinc/52/43/96/403524396.db2.gz LROYFARAPQYTTA-QGZVFWFLSA-N 1 0 309.406 2.440 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1cccc(F)c1 ZINC000295046826 403741692 /nfs/dbraw/zinc/74/16/92/403741692.db2.gz FHONTNAOSPFOLB-QGZVFWFLSA-N 1 0 301.361 2.454 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(CF)CC2)cc1 ZINC000295221831 403800901 /nfs/dbraw/zinc/80/09/01/403800901.db2.gz XWVUPOHDYNSKTF-UHFFFAOYSA-N 1 0 321.440 2.393 20 10 DECDRO CN(C)c1ccc(CN(C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000289718062 403994945 /nfs/dbraw/zinc/99/49/45/403994945.db2.gz GRLSRINRMWZDHM-IBGZPJMESA-N 1 0 317.477 2.172 20 10 DECDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000290261153 404103328 /nfs/dbraw/zinc/10/33/28/404103328.db2.gz VCYCCIQDDMGJKR-QWRKXWFKSA-N 1 0 316.195 2.219 20 10 DECDRO C[C@@H]1CN(CCC[NH2+][C@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000296164558 404124850 /nfs/dbraw/zinc/12/48/50/404124850.db2.gz XKJMEBRMVJWYEF-LZWOXQAQSA-N 1 0 304.434 2.468 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559457 404220439 /nfs/dbraw/zinc/22/04/39/404220439.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 1 0 308.422 2.181 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296617073 404311540 /nfs/dbraw/zinc/31/15/40/404311540.db2.gz WPOIMWVHOQMRSD-PRTUASRFSA-N 1 0 318.417 2.455 20 10 DECDRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000571535680 406533554 /nfs/dbraw/zinc/53/35/54/406533554.db2.gz SRKSQTYTHSREPH-LBPRGKRZSA-N 1 0 314.389 2.080 20 10 DECDRO Oc1ccc(Cl)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000378350888 227212190 /nfs/dbraw/zinc/21/21/90/227212190.db2.gz UYWDKFDIWADKSE-ZBFHGGJFSA-N 1 0 310.825 2.077 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)CC[NH3+])ccc21 ZINC000653127986 425412470 /nfs/dbraw/zinc/41/24/70/425412470.db2.gz DWRFPBNSLNMAIN-LBPRGKRZSA-N 1 0 317.433 2.372 20 10 DECDRO CCOC(=O)[C@](C)(O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274680464 276295078 /nfs/dbraw/zinc/29/50/78/276295078.db2.gz WUEATIFXZIDZLB-GOSISDBHSA-N 1 0 320.433 2.031 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001349648992 1151268426 /nfs/dbraw/zinc/26/84/26/1151268426.db2.gz QJDXEEUKOZHLII-UHFFFAOYSA-N 1 0 312.417 2.240 20 10 DECDRO Nc1ccc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001349787739 1151283324 /nfs/dbraw/zinc/28/33/24/1151283324.db2.gz MDEHJPXMIVNGIW-UHFFFAOYSA-N 1 0 318.421 2.034 20 10 DECDRO OCCCSCC[NH2+]Cc1cc(Br)ccc1O ZINC000222941901 337181823 /nfs/dbraw/zinc/18/18/23/337181823.db2.gz WIBXNEQNOYDPOJ-UHFFFAOYSA-N 1 0 320.252 2.360 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000835037837 649869903 /nfs/dbraw/zinc/86/99/03/649869903.db2.gz XRELANRMUGUPMY-HWKANZROSA-N 1 0 317.477 2.202 20 10 DECDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(OC)c(OC)cc1O ZINC000159904630 519875248 /nfs/dbraw/zinc/87/52/48/519875248.db2.gz IYVSEXPORUUCLU-UHFFFAOYSA-N 1 0 324.421 2.148 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC[NH2+]C3)c2C)cc1 ZINC000127268707 523315294 /nfs/dbraw/zinc/31/52/94/523315294.db2.gz GCXBUQRMIOJMSX-AWEZNQCLSA-N 1 0 313.401 2.194 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)ccc21 ZINC000237128523 523861745 /nfs/dbraw/zinc/86/17/45/523861745.db2.gz CCTZWRAWYXLSCK-SFHVURJKSA-N 1 0 323.440 2.428 20 10 DECDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181227280 523991341 /nfs/dbraw/zinc/99/13/41/523991341.db2.gz YBRCAJCQWWOLBW-ZWXLGZMVSA-N 1 0 316.401 2.054 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265860045 524158659 /nfs/dbraw/zinc/15/86/59/524158659.db2.gz CNZCYDLNHDBMNM-OAHLLOKOSA-N 1 0 316.449 2.202 20 10 DECDRO Cc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180433591 524380065 /nfs/dbraw/zinc/38/00/65/524380065.db2.gz NDEAECYYMBDQFX-GJZGRUSLSA-N 1 0 311.447 2.488 20 10 DECDRO Cc1cccc(CN2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000180227949 524399013 /nfs/dbraw/zinc/39/90/13/524399013.db2.gz DMTDCOXFHZREOL-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000158122738 524431780 /nfs/dbraw/zinc/43/17/80/524431780.db2.gz VTZNTASVGUWNLW-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1CO ZINC000191175855 524511868 /nfs/dbraw/zinc/51/18/68/524511868.db2.gz PVXQGEMJZXNWBL-BXKDBHETSA-N 1 0 300.196 2.357 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000179925504 524748080 /nfs/dbraw/zinc/74/80/80/524748080.db2.gz UUOUYIRITITGHC-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1CC(F)(F)F ZINC000296781359 534831008 /nfs/dbraw/zinc/83/10/08/534831008.db2.gz KTONIFSEFFBROO-MNOVXSKESA-N 1 0 314.307 2.132 20 10 DECDRO Cc1cc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1C ZINC000188968353 525313842 /nfs/dbraw/zinc/31/38/42/525313842.db2.gz PRUAGUNHCSHTGT-OAHLLOKOSA-N 1 0 306.450 2.286 20 10 DECDRO COc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1O ZINC000264967280 526027867 /nfs/dbraw/zinc/02/78/67/526027867.db2.gz PXWPCZGMTCBUOK-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000129773585 526363979 /nfs/dbraw/zinc/36/39/79/526363979.db2.gz QGQJCLDHXSNUBL-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO CC(C)OC[C@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054834 649872868 /nfs/dbraw/zinc/87/28/68/649872868.db2.gz ZKAVQDVUWHYADZ-MJRGOJFPSA-N 1 0 306.450 2.484 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1F ZINC000835072729 649875335 /nfs/dbraw/zinc/87/53/35/649875335.db2.gz IPVQDMKQISBLFL-UKRRQHHQSA-N 1 0 305.397 2.135 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001330536828 1149181984 /nfs/dbraw/zinc/18/19/84/1149181984.db2.gz PDWULMHNNKLJPL-MOPGFXCFSA-N 1 0 315.461 2.192 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825879427 609266896 /nfs/dbraw/zinc/26/68/96/609266896.db2.gz NEDXYWOPKLQFIK-UHFFFAOYSA-N 1 0 308.389 2.223 20 10 DECDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000289978183 625495886 /nfs/dbraw/zinc/49/58/86/625495886.db2.gz XSZKBIJHPYQZSH-CYBMUJFWSA-N 1 0 318.396 2.247 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000807577299 623262595 /nfs/dbraw/zinc/26/25/95/623262595.db2.gz LSAXQZQDTCUYGI-AWEZNQCLSA-N 1 0 306.454 2.234 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)CCC(C)(C)O)[NH+](C)C)cc1 ZINC000891248433 623792293 /nfs/dbraw/zinc/79/22/93/623792293.db2.gz LNYBWAVAEJIYRO-INIZCTEOSA-N 1 0 321.465 2.023 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000891253491 623799790 /nfs/dbraw/zinc/79/97/90/623799790.db2.gz SRLTYINMCZZXII-SJLPKXTDSA-N 1 0 319.449 2.041 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000891254972 623800461 /nfs/dbraw/zinc/80/04/61/623800461.db2.gz LJXQCICJVJJGKR-DLBZAZTESA-N 1 0 319.449 2.041 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160759279 624066119 /nfs/dbraw/zinc/06/61/19/624066119.db2.gz HXBZMVHHEZSYSU-HNNXBMFYSA-N 1 0 303.406 2.018 20 10 DECDRO COc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c(O)c1OC ZINC000891941142 624672265 /nfs/dbraw/zinc/67/22/65/624672265.db2.gz RJVAOZLLZDNAKX-AWEZNQCLSA-N 1 0 306.406 2.078 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(O)c1OC ZINC000892146582 624795828 /nfs/dbraw/zinc/79/58/28/624795828.db2.gz WTNGWJXIFQKZLW-JSGCOSHPSA-N 1 0 307.390 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Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841825019 650571678 /nfs/dbraw/zinc/57/16/78/650571678.db2.gz WNFBGYZEDMBMNA-HUUCEWRRSA-N 1 0 304.438 2.130 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000841798104 650566962 /nfs/dbraw/zinc/56/69/62/650566962.db2.gz DRTJUBQDCJRQQX-AWEZNQCLSA-N 1 0 322.428 2.223 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)cc1F ZINC000841797780 650567005 /nfs/dbraw/zinc/56/70/05/650567005.db2.gz BGMLGHPHMGKYFV-HNNXBMFYSA-N 1 0 322.428 2.208 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH2+]C)C2)cc1F ZINC000841798390 650567041 /nfs/dbraw/zinc/56/70/41/650567041.db2.gz HMUYAYDNXDSQJJ-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1N ZINC000841847063 650577640 /nfs/dbraw/zinc/57/76/40/650577640.db2.gz XLUOLOFSWPQVOT-QGZVFWFLSA-N 1 0 312.417 2.073 20 10 DECDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787916 640459618 /nfs/dbraw/zinc/45/96/18/640459618.db2.gz OADRMJVFLFQBCG-VQIMIIECSA-N 1 0 317.477 2.394 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000763496632 640548153 /nfs/dbraw/zinc/54/81/53/640548153.db2.gz UJIWXLOPMRYDQU-RBUKOAKNSA-N 1 0 317.477 2.486 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763558531 640552638 /nfs/dbraw/zinc/55/26/38/640552638.db2.gz KPLMFOLUTFHGLY-MLGOLLRUSA-N 1 0 309.406 2.229 20 10 DECDRO Cc1nnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1C ZINC000897524832 640561422 /nfs/dbraw/zinc/56/14/22/640561422.db2.gz FKLKUNVXDOYEBU-INIZCTEOSA-N 1 0 314.437 2.269 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880837 650591146 /nfs/dbraw/zinc/59/11/46/650591146.db2.gz IKBFSYDGQVJYBX-NWANDNLSSA-N 1 0 304.438 2.383 20 10 DECDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000897536697 640647413 /nfs/dbraw/zinc/64/74/13/640647413.db2.gz QMNSVMJMWDDXOE-JSGCOSHPSA-N 1 0 309.406 2.440 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)c(O)c1 ZINC000841940173 650607139 /nfs/dbraw/zinc/60/71/39/650607139.db2.gz PCFCQMCGZHOIBC-HNNXBMFYSA-N 1 0 321.421 2.108 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841940973 650607048 /nfs/dbraw/zinc/60/70/48/650607048.db2.gz JKFYJGKWWWSCJD-INIZCTEOSA-N 1 0 318.465 2.425 20 10 DECDRO O=C(N[C@@H]1CC[NH2+]C1)N(Cc1ccco1)Cc1ccccc1O ZINC000841940484 650607267 /nfs/dbraw/zinc/60/72/67/650607267.db2.gz CFWLTYRWODCUTJ-CQSZACIVSA-N 1 0 315.373 2.059 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-n2cnnn2)cc1 ZINC000765610666 640800502 /nfs/dbraw/zinc/80/05/02/640800502.db2.gz WUWFRVYYTVUMIR-CYBMUJFWSA-N 1 0 321.384 2.448 20 10 DECDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765976806 640835658 /nfs/dbraw/zinc/83/56/58/640835658.db2.gz AEUSTWJQJOFHOR-CQSZACIVSA-N 1 0 310.463 2.056 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000841962508 650614407 /nfs/dbraw/zinc/61/44/07/650614407.db2.gz JSZZDAGNRXUESU-AWEZNQCLSA-N 1 0 306.454 2.269 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000897623855 640874112 /nfs/dbraw/zinc/87/41/12/640874112.db2.gz MHXILBOHMATQKZ-BSCWQEJHSA-N 1 0 313.445 2.353 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CC34CC(O)C4)CC2)cc1 ZINC000897848280 640952514 /nfs/dbraw/zinc/95/25/14/640952514.db2.gz JNMAVTIELFPVDA-NXYGQSRBSA-N 1 0 302.418 2.167 20 10 DECDRO O=C(N1CCOCC1)C1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000897892868 640966095 /nfs/dbraw/zinc/96/60/95/640966095.db2.gz DLUISNBAOCTFST-UHFFFAOYSA-N 1 0 318.417 2.044 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000897984994 640995505 /nfs/dbraw/zinc/99/55/05/640995505.db2.gz JARIFTWJZGSCKH-GFCCVEGCSA-N 1 0 319.336 2.139 20 10 DECDRO COc1nn(C)cc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000898025611 641003595 /nfs/dbraw/zinc/00/35/95/641003595.db2.gz NJNMJLSSUXMQDC-AATRIKPKSA-N 1 0 300.406 2.298 20 10 DECDRO O=C(CCCC[NH+]1CCCC1)NCCc1ccc(O)c(O)c1 ZINC000767784537 641021215 /nfs/dbraw/zinc/02/12/15/641021215.db2.gz CADNDSACPGLDFY-UHFFFAOYSA-N 1 0 306.406 2.023 20 10 DECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000768338037 641069657 /nfs/dbraw/zinc/06/96/57/641069657.db2.gz SUPWMLLHHUHZMN-LBPRGKRZSA-N 1 0 308.378 2.111 20 10 DECDRO COC1CCC([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768446608 641082358 /nfs/dbraw/zinc/08/23/58/641082358.db2.gz LKDJWLUTLAHHLO-ZUEPYMLJSA-N 1 0 307.390 2.207 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC000769379760 641229093 /nfs/dbraw/zinc/22/90/93/641229093.db2.gz LVTMHPLBICAPDD-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000769413593 641235947 /nfs/dbraw/zinc/23/59/47/641235947.db2.gz DIKVMLJDQXJQNF-CQSZACIVSA-N 1 0 307.390 2.219 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](CO)c2ccsc2)cc1OC ZINC000770667161 641405911 /nfs/dbraw/zinc/40/59/11/641405911.db2.gz DPADVIWOKAXRSU-GFCCVEGCSA-N 1 0 309.387 2.294 20 10 DECDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000842224650 650672974 /nfs/dbraw/zinc/67/29/74/650672974.db2.gz DNOXIPKNTDWDKA-RDJZCZTQSA-N 1 0 312.429 2.283 20 10 DECDRO COC[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000898450347 641661844 /nfs/dbraw/zinc/66/18/44/641661844.db2.gz QJAJPIULYOGOOM-QZTJIDSGSA-N 1 0 305.466 2.370 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Cl)ccc1O ZINC000927146373 641774261 /nfs/dbraw/zinc/77/42/61/641774261.db2.gz NQTQUTJJFSOJEI-KOLCDFICSA-N 1 0 306.797 2.382 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000773757818 641821407 /nfs/dbraw/zinc/82/14/07/641821407.db2.gz QFEKOXHJNCRVHS-KRWDZBQOSA-N 1 0 301.434 2.386 20 10 DECDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000774830888 641970739 /nfs/dbraw/zinc/97/07/39/641970739.db2.gz GETJNPWQKSFPDG-AEFFLSMTSA-N 1 0 304.434 2.428 20 10 DECDRO CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Cl)ccc1O ZINC000775548593 642057856 /nfs/dbraw/zinc/05/78/56/642057856.db2.gz VZDVPGPNUQFNSH-LBPRGKRZSA-N 1 0 322.796 2.239 20 10 DECDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1C ZINC000924760171 642128826 /nfs/dbraw/zinc/12/88/26/642128826.db2.gz OJUSFDJOQXNREB-IIYDPXPESA-N 1 0 322.424 2.300 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000779030864 642457257 /nfs/dbraw/zinc/45/72/57/642457257.db2.gz XTWZFINIFKZDSD-DTWKUNHWSA-N 1 0 315.211 2.378 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c(O)c1 ZINC000781526028 642762135 /nfs/dbraw/zinc/76/21/35/642762135.db2.gz AMCZXPMWVXPDLJ-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)[C@H](O)CO2 ZINC000783969117 643072928 /nfs/dbraw/zinc/07/29/28/643072928.db2.gz SZOVDDWHMOBTKE-IAGOWNOFSA-N 1 0 319.401 2.209 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccncc2N)N(C)C)cc1 ZINC000902724281 643121815 /nfs/dbraw/zinc/12/18/15/643121815.db2.gz ULYZINDAXIBMAH-GOSISDBHSA-N 1 0 313.449 2.122 20 10 DECDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000903077004 643241342 /nfs/dbraw/zinc/24/13/42/643241342.db2.gz XIGPNFJOWXPYCF-FUHWJXTLSA-N 1 0 322.424 2.444 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(C)[C@H]3C)CC2)cc1 ZINC000903299860 643309990 /nfs/dbraw/zinc/30/99/90/643309990.db2.gz CCCRMMDXURYDRC-KSSFIOAISA-N 1 0 303.450 2.346 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c(O)c1 ZINC000903373015 643331028 /nfs/dbraw/zinc/33/10/28/643331028.db2.gz QZMNXNFSTOKVPC-CQSZACIVSA-N 1 0 321.417 2.399 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000786943878 643431575 /nfs/dbraw/zinc/43/15/75/643431575.db2.gz BEKSXBDDBSPYBU-CABZTGNLSA-N 1 0 313.394 2.104 20 10 DECDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000786946636 643432404 /nfs/dbraw/zinc/43/24/04/643432404.db2.gz CEXZPALWKZCMPQ-GFCCVEGCSA-N 1 0 323.458 2.356 20 10 DECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000805826066 643445130 /nfs/dbraw/zinc/44/51/30/643445130.db2.gz OQKPWISIIVILKT-INIZCTEOSA-N 1 0 305.422 2.463 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000841799008 643584400 /nfs/dbraw/zinc/58/44/00/643584400.db2.gz OQOZJPMQUYTMEH-CYBMUJFWSA-N 1 0 310.417 2.208 20 10 DECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000842912723 650851795 /nfs/dbraw/zinc/85/17/95/650851795.db2.gz VCYCCIQDDMGJKR-XTWCZFFVSA-N 1 0 316.195 2.219 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)c3ncnn3C)CC2)cc1 ZINC000788985697 643669547 /nfs/dbraw/zinc/66/95/47/643669547.db2.gz XWBDQFYUMNCNTD-CYBMUJFWSA-N 1 0 315.421 2.143 20 10 DECDRO O=C(c1c(F)ccc(O)c1O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000789978763 643798768 /nfs/dbraw/zinc/79/87/68/643798768.db2.gz ALPWYDATJDSJIN-UHFFFAOYSA-N 1 0 322.380 2.185 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843046475 650876405 /nfs/dbraw/zinc/87/64/05/650876405.db2.gz WVXFCBGKABDRNM-PBHICJAKSA-N 1 0 321.440 2.364 20 10 DECDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(O)c1O ZINC000790619130 643873601 /nfs/dbraw/zinc/87/36/01/643873601.db2.gz RICLELONVUSWMX-UHFFFAOYSA-N 1 0 314.385 2.432 20 10 DECDRO C[NH+](C)CCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000790639777 643876585 /nfs/dbraw/zinc/87/65/85/643876585.db2.gz IATWOWPAYPEQLR-UHFFFAOYSA-N 1 0 300.358 2.454 20 10 DECDRO C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nnnn1C1CC1 ZINC000791008841 643919366 /nfs/dbraw/zinc/91/93/66/643919366.db2.gz JQDXRMOBNZXGOP-SNVBAGLBSA-N 1 0 304.373 2.064 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=S)NC(C)(C)C)cc2)CC1 ZINC000905529703 643945629 /nfs/dbraw/zinc/94/56/29/643945629.db2.gz MGCGDZAUAITDEC-UHFFFAOYSA-N 1 0 320.506 2.201 20 10 DECDRO C[NH2+]CCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843057879 650879266 /nfs/dbraw/zinc/87/92/66/650879266.db2.gz WJRAWAACHPKPPO-UHFFFAOYSA-N 1 0 306.410 2.236 20 10 DECDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843057963 650879319 /nfs/dbraw/zinc/87/93/19/650879319.db2.gz JABIDQMYWDTOFH-MRXNPFEDSA-N 1 0 321.440 2.236 20 10 DECDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000905710718 644010289 /nfs/dbraw/zinc/01/02/89/644010289.db2.gz SPNUEUXGJLEYRX-CHWSQXEVSA-N 1 0 307.390 2.340 20 10 DECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1F ZINC000843116881 650899085 /nfs/dbraw/zinc/89/90/85/650899085.db2.gz ORQZVGCMBHIQEW-GOSISDBHSA-N 1 0 314.408 2.433 20 10 DECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1F ZINC000843120299 650900339 /nfs/dbraw/zinc/90/03/39/650900339.db2.gz DKVPZFSEIJALDS-GOSISDBHSA-N 1 0 314.408 2.433 20 10 DECDRO COc1cc(O)c(C[N@H+](CCO)Cc2ccc(C)o2)cc1OC ZINC000793364314 644239715 /nfs/dbraw/zinc/23/97/15/644239715.db2.gz FAPAZSIADHOZFJ-UHFFFAOYSA-N 1 0 321.373 2.305 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000793363968 644239777 /nfs/dbraw/zinc/23/97/77/644239777.db2.gz ZSRINYZSYVOLLA-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000795632251 644608897 /nfs/dbraw/zinc/60/88/97/644608897.db2.gz OQQHIWKCOLGXJC-QGZVFWFLSA-N 1 0 307.390 2.091 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000795693318 644619854 /nfs/dbraw/zinc/61/98/54/644619854.db2.gz SMBCOLPWRCBEFN-DOTOQJQBSA-N 1 0 304.434 2.304 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)c2c1c(F)ccc2O ZINC000795834420 644644741 /nfs/dbraw/zinc/64/47/41/644644741.db2.gz VAWCJUHCUJBRET-UHXUPSOCSA-N 1 0 309.381 2.314 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000843299440 650944521 /nfs/dbraw/zinc/94/45/21/650944521.db2.gz UISNOKXRLIEANW-VXGBXAGGSA-N 1 0 316.232 2.062 20 10 DECDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000796498845 644745247 /nfs/dbraw/zinc/74/52/47/644745247.db2.gz YIFJDMQXTRZPMN-ZBFHGGJFSA-N 1 0 322.424 2.425 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1OC ZINC000843428366 650972960 /nfs/dbraw/zinc/97/29/60/650972960.db2.gz INHRMFWMIFOVPX-AWEZNQCLSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2cnccc2C)CC1 ZINC000798962351 645104524 /nfs/dbraw/zinc/10/45/24/645104524.db2.gz 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ZINC000809768071 646281039 /nfs/dbraw/zinc/28/10/39/646281039.db2.gz BJIJZWMAAWAHLM-ZDUSSCGKSA-N 1 0 317.813 2.272 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000840186987 646293485 /nfs/dbraw/zinc/29/34/85/646293485.db2.gz CWWHYSPYOLULHE-CQSZACIVSA-N 1 0 309.431 2.347 20 10 DECDRO CC[C@H]([NH2+][C@@H](CO)COC)c1ccc(C(F)(F)F)cc1O ZINC000810238902 646342985 /nfs/dbraw/zinc/34/29/85/646342985.db2.gz TZBLRZDBAHRJJE-JQWIXIFHSA-N 1 0 307.312 2.459 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC[NH+](C)C ZINC000840239005 646586518 /nfs/dbraw/zinc/58/65/18/646586518.db2.gz XJGDYGNGNZWOFP-HNNXBMFYSA-N 1 0 320.481 2.243 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc[nH]c(=O)c1 ZINC000815148452 646979615 /nfs/dbraw/zinc/97/96/15/646979615.db2.gz WHZKRYMMSOGXBY-AWEZNQCLSA-N 1 0 313.401 2.475 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H]1n1cccn1 ZINC000815166975 646982697 /nfs/dbraw/zinc/98/26/97/646982697.db2.gz NJYFXQKJWITSAI-RCCFBDPRSA-N 1 0 314.433 2.457 20 10 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DECDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000822498251 648219362 /nfs/dbraw/zinc/21/93/62/648219362.db2.gz WVIXJJXQMWFRDZ-UHFFFAOYSA-N 1 0 323.456 2.434 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000822503667 648221413 /nfs/dbraw/zinc/22/14/13/648221413.db2.gz KKXBLLXUWCUCEE-AWEZNQCLSA-N 1 0 302.378 2.220 20 10 DECDRO CCOC(=O)CN(CCCn1ccnc1)Cc1ccccc1O ZINC000823576018 648445638 /nfs/dbraw/zinc/44/56/38/648445638.db2.gz GSQAPGXPJMIWQW-UHFFFAOYSA-N 1 0 317.389 2.044 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000823608504 648453670 /nfs/dbraw/zinc/45/36/70/648453670.db2.gz HPDPAUMIXHCRIZ-UHFFFAOYSA-N 1 0 318.442 2.446 20 10 DECDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000180808580 648516785 /nfs/dbraw/zinc/51/67/85/648516785.db2.gz YYTJJVYBXWKPCU-UHFFFAOYSA-N 1 0 319.449 2.001 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000824451130 648590598 /nfs/dbraw/zinc/59/05/98/648590598.db2.gz IAPUOKBMCRXROH-OAHLLOKOSA-N 1 0 303.406 2.027 20 10 DECDRO COCCOC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000824589839 648618570 /nfs/dbraw/zinc/61/85/70/648618570.db2.gz HVMNBHONHLTDHQ-UHFFFAOYSA-N 1 0 322.449 2.054 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC000824655187 648630675 /nfs/dbraw/zinc/63/06/75/648630675.db2.gz UQICWWXTCICYJJ-UXLLHSPISA-N 1 0 321.417 2.153 20 10 DECDRO Cc1ccc(O)c(CNC(=O)C[N@H+](C)CCc2ccccc2)c1 ZINC000824903773 648669586 /nfs/dbraw/zinc/66/95/86/648669586.db2.gz CRTLACMIIMURIG-UHFFFAOYSA-N 1 0 312.413 2.491 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000825130842 648708364 /nfs/dbraw/zinc/70/83/64/648708364.db2.gz GUMLKDXCIJSXBW-FUHWJXTLSA-N 1 0 302.418 2.180 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COCC(C)C)cc1Cl ZINC000825137492 648709250 /nfs/dbraw/zinc/70/92/50/648709250.db2.gz ATDJAIHFLOWRKX-ZDUSSCGKSA-N 1 0 301.814 2.477 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COCC(C)C)cc1Cl ZINC000825137486 648709385 /nfs/dbraw/zinc/70/93/85/648709385.db2.gz ATDJAIHFLOWRKX-CYBMUJFWSA-N 1 0 301.814 2.477 20 10 DECDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000825279565 648735571 /nfs/dbraw/zinc/73/55/71/648735571.db2.gz RVHDFMPWSCCLSZ-NSHDSACASA-N 1 0 311.813 2.281 20 10 DECDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000825325348 648742303 /nfs/dbraw/zinc/74/23/03/648742303.db2.gz BJLQBVGDNHLYPQ-DOTOQJQBSA-N 1 0 313.401 2.365 20 10 DECDRO C[C@H]1CCC[C@](CNC(=O)c2c(F)ccc(O)c2O)([NH+](C)C)C1 ZINC000825516861 648774242 /nfs/dbraw/zinc/77/42/42/648774242.db2.gz DRAQZDPOUPJDID-GTNSWQLSSA-N 1 0 324.396 2.477 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C(C)C)cc1Cl ZINC000825943303 648829554 /nfs/dbraw/zinc/82/95/54/648829554.db2.gz BYIXZERDZDZEHS-UHFFFAOYSA-N 1 0 305.827 2.267 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825940266 648829699 /nfs/dbraw/zinc/82/96/99/648829699.db2.gz QZAOKTNGRRIZHN-LBPRGKRZSA-N 1 0 316.854 2.311 20 10 DECDRO Cc1cc(O)c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1Cl ZINC000826064306 648845153 /nfs/dbraw/zinc/84/51/53/648845153.db2.gz IFJAYJLAVSMFRB-BETUJISGSA-N 1 0 312.841 2.241 20 10 DECDRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826846305 648935457 /nfs/dbraw/zinc/93/54/57/648935457.db2.gz SFNVVVFRNBJFBY-AWEZNQCLSA-N 1 0 320.433 2.453 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000826852257 648937384 /nfs/dbraw/zinc/93/73/84/648937384.db2.gz KMDGRTZHMZNGQU-LIMHQNJXSA-N 1 0 311.433 2.379 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827133564 648978396 /nfs/dbraw/zinc/97/83/96/648978396.db2.gz UWCYIWOFIHTFDL-GWCFXTLKSA-N 1 0 324.808 2.155 20 10 DECDRO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000827488437 649041879 /nfs/dbraw/zinc/04/18/79/649041879.db2.gz HEWKGOFPGZLLRR-QGZVFWFLSA-N 1 0 307.390 2.163 20 10 DECDRO Fc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc1N1CCOCC1 ZINC000827596119 649055941 /nfs/dbraw/zinc/05/59/41/649055941.db2.gz UUTOCURNXROKDX-JKSUJKDBSA-N 1 0 320.408 2.131 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000827634663 649059779 /nfs/dbraw/zinc/05/97/79/649059779.db2.gz XTEPQYFYJSBZLE-CQSZACIVSA-N 1 0 302.418 2.399 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827634681 649059964 /nfs/dbraw/zinc/05/99/64/649059964.db2.gz YINMVOOSILRDSN-AWEZNQCLSA-N 1 0 318.417 2.235 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1F ZINC000827906708 649103470 /nfs/dbraw/zinc/10/34/70/649103470.db2.gz SIHOHBCBJYMSDX-GUYCJALGSA-N 1 0 307.413 2.416 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)C2(CO)CCOCC2)c1O ZINC000827908106 649104230 /nfs/dbraw/zinc/10/42/30/649104230.db2.gz KISBUUTZNRRYPK-UHFFFAOYSA-N 1 0 315.797 2.028 20 10 DECDRO CC(C)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](C)[NH3+] ZINC000827913558 649105162 /nfs/dbraw/zinc/10/51/62/649105162.db2.gz AJQKHCHVAPWUCB-DYVFJYSZSA-N 1 0 303.450 2.305 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000828666555 649207964 /nfs/dbraw/zinc/20/79/64/649207964.db2.gz GCUGICKLXFJYQZ-BLLLJJGKSA-N 1 0 314.385 2.148 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000830509289 649454434 /nfs/dbraw/zinc/45/44/34/649454434.db2.gz GNULLLGWZBYFHJ-INIZCTEOSA-N 1 0 305.422 2.415 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCCCCC[NH3+])cc1F ZINC000831116947 649540642 /nfs/dbraw/zinc/54/06/42/649540642.db2.gz KVLQXXLEWPJDHH-UHFFFAOYSA-N 1 0 310.417 2.210 20 10 DECDRO COc1ccc(N(C[C@@H](O)C[N@H+](C)C2CC2)CC2CC2)cc1 ZINC000831588049 649612877 /nfs/dbraw/zinc/61/28/77/649612877.db2.gz SFERGMNIDUSJDT-KRWDZBQOSA-N 1 0 304.434 2.367 20 10 DECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754059 649638514 /nfs/dbraw/zinc/63/85/14/649638514.db2.gz UBSLJFMXDPNGRP-VBQJREDUSA-N 1 0 319.449 2.011 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSC(C)(C)C)cc1 ZINC000832292272 649693199 /nfs/dbraw/zinc/69/31/99/649693199.db2.gz DSTOCNAYHRFGEK-CQSZACIVSA-N 1 0 309.479 2.400 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccn1 ZINC000844198813 651090522 /nfs/dbraw/zinc/09/05/22/651090522.db2.gz ODPJEMHTVIAXSI-DOTOQJQBSA-N 1 0 324.428 2.313 20 10 DECDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCC2)c(C)n1-c1ccccn1 ZINC000844197405 651090549 /nfs/dbraw/zinc/09/05/49/651090549.db2.gz MLCCIOSQPPODKQ-UHFFFAOYSA-N 1 0 312.417 2.443 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000844401812 651123265 /nfs/dbraw/zinc/12/32/65/651123265.db2.gz RIUMYLLYDVODFU-AWEZNQCLSA-N 1 0 306.406 2.016 20 10 DECDRO COCC[NH2+]C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000844900287 651180778 /nfs/dbraw/zinc/18/07/78/651180778.db2.gz LXIRYOODCPIGJR-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846108114 651308085 /nfs/dbraw/zinc/30/80/85/651308085.db2.gz NYRNQRRCURRZQW-HNNXBMFYSA-N 1 0 315.797 2.075 20 10 DECDRO COc1cc(O)c(CN(C)CC[NH+]2CCCCC2)cc1OC ZINC000846115650 651308696 /nfs/dbraw/zinc/30/86/96/651308696.db2.gz YLTGWRBDLPMNSW-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1O ZINC000846138996 651310413 /nfs/dbraw/zinc/31/04/13/651310413.db2.gz NVPMOTJNVUPAMR-KGLIPLIRSA-N 1 0 317.385 2.491 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000846147147 651310949 /nfs/dbraw/zinc/31/09/49/651310949.db2.gz UCWLPJJWWMDQIM-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)c1O ZINC000846149449 651311323 /nfs/dbraw/zinc/31/13/23/651311323.db2.gz ZLPXKPXCMPGJOH-WBMJQRKESA-N 1 0 310.463 2.489 20 10 DECDRO C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000846161326 651312103 /nfs/dbraw/zinc/31/21/03/651312103.db2.gz XUPBOXHFUVAKCR-ZDUSSCGKSA-N 1 0 304.438 2.242 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000846663893 651343977 /nfs/dbraw/zinc/34/39/77/651343977.db2.gz QWCOLSIMGWKYEQ-NONVJHHQSA-N 1 0 313.445 2.471 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[NH2+]CC1 ZINC000846677011 651345125 /nfs/dbraw/zinc/34/51/25/651345125.db2.gz MGNIBXZPOXSIQX-AWEZNQCLSA-N 1 0 302.418 2.277 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000846928945 651362552 /nfs/dbraw/zinc/36/25/52/651362552.db2.gz IZLRBTUAKNJTLE-QGZVFWFLSA-N 1 0 315.461 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000848226682 651445367 /nfs/dbraw/zinc/44/53/67/651445367.db2.gz URTVIWWLCWPDFQ-HOCLYGCPSA-N 1 0 317.477 2.450 20 10 DECDRO O=C(CC[NH2+]C1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000848426798 651458433 /nfs/dbraw/zinc/45/84/33/651458433.db2.gz GOSCLQUZTNBYQO-INIZCTEOSA-N 1 0 318.417 2.042 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO)c1O ZINC000848523711 651467059 /nfs/dbraw/zinc/46/70/59/651467059.db2.gz LFGDYHCWBSHLDX-SFYZADRCSA-N 1 0 304.184 2.195 20 10 DECDRO c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000848523977 651467126 /nfs/dbraw/zinc/46/71/26/651467126.db2.gz PAQQTWJABMIJSO-KRWDZBQOSA-N 1 0 312.417 2.344 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(Cl)cc1[O-] ZINC000848562675 651470931 /nfs/dbraw/zinc/47/09/31/651470931.db2.gz KUVFIISZHCGLLA-MWLCHTKSSA-N 1 0 306.797 2.382 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848561780 651471176 /nfs/dbraw/zinc/47/11/76/651471176.db2.gz BYUJOGKUKXJGBB-CHWSQXEVSA-N 1 0 300.406 2.346 20 10 DECDRO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000848562971 651471544 /nfs/dbraw/zinc/47/15/44/651471544.db2.gz NXEJXVWPCTZYBH-WVSHTKLVSA-N 1 0 313.785 2.384 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848570926 651472526 /nfs/dbraw/zinc/47/25/26/651472526.db2.gz CQUJKDKATXTBLQ-JQWIXIFHSA-N 1 0 306.362 2.035 20 10 DECDRO COC(=O)Cc1ccccc1C[NH2+]Cc1c(O)cccc1OC ZINC000848578744 651474729 /nfs/dbraw/zinc/47/47/29/651474729.db2.gz JBSJKXVLIUBEHS-UHFFFAOYSA-N 1 0 315.369 2.406 20 10 DECDRO COc1cc(C[NH2+][C@H](C)Cn2cncn2)c(O)c(C(C)(C)C)c1 ZINC000850094329 651825984 /nfs/dbraw/zinc/82/59/84/651825984.db2.gz SWRKJGFZJMNTLV-GFCCVEGCSA-N 1 0 318.421 2.468 20 10 DECDRO COc1cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850281099 651886384 /nfs/dbraw/zinc/88/63/84/651886384.db2.gz OSUITKANRKGVLW-SGTLLEGYSA-N 1 0 323.433 2.328 20 10 DECDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000850354079 651908896 /nfs/dbraw/zinc/90/88/96/651908896.db2.gz UYJUPZYXBXUAIP-KBAYOESNSA-N 1 0 306.450 2.408 20 10 DECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000850354077 651908970 /nfs/dbraw/zinc/90/89/70/651908970.db2.gz UYJUPZYXBXUAIP-CGTJXYLNSA-N 1 0 306.450 2.408 20 10 DECDRO C[N@H+](CCOC(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000851718107 652214790 /nfs/dbraw/zinc/21/47/90/652214790.db2.gz TZVQQIDQHZKSPP-UHFFFAOYSA-N 1 0 300.349 2.194 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3COC(C)(C)O3)CC2)cc1F ZINC000851808690 652244941 /nfs/dbraw/zinc/24/49/41/652244941.db2.gz QIAYQUIBRLDENZ-CQSZACIVSA-N 1 0 324.396 2.108 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCCC(=O)NC2CC2)cc1F ZINC000858099594 652254101 /nfs/dbraw/zinc/25/41/01/652254101.db2.gz RMJXKZPAGJNWGP-UHFFFAOYSA-N 1 0 311.376 2.179 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858154717 652267786 /nfs/dbraw/zinc/26/77/86/652267786.db2.gz PMAXJWMXRPXNFO-RISCZKNCSA-N 1 0 311.376 2.035 20 10 DECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157563 652268458 /nfs/dbraw/zinc/26/84/58/652268458.db2.gz ZUALDYRHISILGB-HOCLYGCPSA-N 1 0 314.376 2.314 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000858280776 652296010 /nfs/dbraw/zinc/29/60/10/652296010.db2.gz CXBKBUBOYDMHPE-UHFFFAOYSA-N 1 0 305.422 2.232 20 10 DECDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)c[nH]1 ZINC000858290338 652297643 /nfs/dbraw/zinc/29/76/43/652297643.db2.gz VGOYGVLMVMBFFY-QAPCUYQASA-N 1 0 312.369 2.342 20 10 DECDRO COc1cc(C[NH2+][C@H](C)C(=O)N(C)OC)c(O)c(C(C)(C)C)c1 ZINC000858323952 652306079 /nfs/dbraw/zinc/30/60/79/652306079.db2.gz POGWNOLUMOTMFG-LLVKDONJSA-N 1 0 324.421 2.196 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@@H](C)CC)cc2=O ZINC000852289965 652378113 /nfs/dbraw/zinc/37/81/13/652378113.db2.gz BUWNFCQXNMCQRJ-NSHDSACASA-N 1 0 320.393 2.232 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852494592 652409607 /nfs/dbraw/zinc/40/96/07/652409607.db2.gz HMGKLXAWVIOPJX-NVXWUHKLSA-N 1 0 301.434 2.243 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852882521 652474245 /nfs/dbraw/zinc/47/42/45/652474245.db2.gz KEQCRGBALHQISA-MRXNPFEDSA-N 1 0 303.450 2.489 20 10 DECDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853583885 652572773 /nfs/dbraw/zinc/57/27/73/652572773.db2.gz YEMLYLBUDJKWDI-INIZCTEOSA-N 1 0 317.433 2.069 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000858589956 685563740 /nfs/dbraw/zinc/56/37/40/685563740.db2.gz DSEBYLHXZNVYDR-TYNCELHUSA-N 1 0 301.346 2.191 20 10 DECDRO COCCC[N@H+](CCOC)Cc1ccc(N2CCOCC2)cc1 ZINC000092221125 684041576 /nfs/dbraw/zinc/04/15/76/684041576.db2.gz JRHUABUGHMZLKU-UHFFFAOYSA-N 1 0 322.449 2.008 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c(O)cc1C ZINC000159987316 684323831 /nfs/dbraw/zinc/32/38/31/684323831.db2.gz QDBUQKAZTZXVTN-CQSZACIVSA-N 1 0 306.406 2.057 20 10 DECDRO CCN(CCC[NH+](C)C)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000190290974 684402362 /nfs/dbraw/zinc/40/23/62/684402362.db2.gz JWOXXFCBDIOZOM-UHFFFAOYSA-N 1 0 311.382 2.390 20 10 DECDRO CCOCCOCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191568346 684432518 /nfs/dbraw/zinc/43/25/18/684432518.db2.gz QYFRIAPWAFCVNF-UHFFFAOYSA-N 1 0 322.449 2.008 20 10 DECDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861570042 686147077 /nfs/dbraw/zinc/14/70/77/686147077.db2.gz GDOFEDIKQSGJKQ-MRXNPFEDSA-N 1 0 322.428 2.031 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000861583611 686150089 /nfs/dbraw/zinc/15/00/89/686150089.db2.gz WSECXPWUGKRPEC-KRWDZBQOSA-N 1 0 318.465 2.200 20 10 DECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862310600 686276079 /nfs/dbraw/zinc/27/60/79/686276079.db2.gz ZRKWMKFNQQAHMB-NXEZZACHSA-N 1 0 300.196 2.357 20 10 DECDRO CON1CCC([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862388859 686289403 /nfs/dbraw/zinc/28/94/03/686289403.db2.gz LLPNLAKBQSNXCF-UHFFFAOYSA-N 1 0 313.392 2.488 20 10 DECDRO COc1c([O-])c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000862481940 686307899 /nfs/dbraw/zinc/30/78/99/686307899.db2.gz BIKYFUZVAZSDAC-GFCCVEGCSA-N 1 0 323.393 2.131 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1 ZINC000863482972 686507551 /nfs/dbraw/zinc/50/75/51/686507551.db2.gz JNIPDCLMYMTQCM-QGZVFWFLSA-N 1 0 305.466 2.391 20 10 DECDRO CCC(CC)NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000864453472 686725831 /nfs/dbraw/zinc/72/58/31/686725831.db2.gz WTANBYZGTXOKFL-UHFFFAOYSA-N 1 0 304.438 2.326 20 10 DECDRO COC(=O)/C=C(/C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929971239 694061483 /nfs/dbraw/zinc/06/14/83/694061483.db2.gz NXAQZRDITBNDIJ-SCOADAFUSA-N 1 0 319.401 2.493 20 10 DECDRO Oc1cc2c(cc1C[NH2+]Cc1cccc3c1CCOC3)OCO2 ZINC000865725606 687313542 /nfs/dbraw/zinc/31/35/42/687313542.db2.gz MXTHEFONWMNYGL-UHFFFAOYSA-N 1 0 313.353 2.483 20 10 DECDRO CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1cc(Cl)ccc1O ZINC000866456941 687580011 /nfs/dbraw/zinc/58/00/11/687580011.db2.gz FTVMYUDQPKDMDE-LBPRGKRZSA-N 1 0 320.842 2.026 20 10 DECDRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1O ZINC000868008650 687874293 /nfs/dbraw/zinc/87/42/93/687874293.db2.gz IMBLXYDIMPOKFL-LBPRGKRZSA-N 1 0 303.406 2.379 20 10 DECDRO CCCOc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000873020336 689142667 /nfs/dbraw/zinc/14/26/67/689142667.db2.gz OMYWSOXJAIFYTN-QGZVFWFLSA-N 1 0 306.450 2.330 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1Cn1cccn1 ZINC000873023690 689143551 /nfs/dbraw/zinc/14/35/51/689143551.db2.gz SCRUEJCSGRIVRW-QGZVFWFLSA-N 1 0 314.433 2.124 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCOC2)cc1Cn1cccn1 ZINC000873046396 689148170 /nfs/dbraw/zinc/14/81/70/689148170.db2.gz LIMFLCZYODQTGY-MRXNPFEDSA-N 1 0 301.390 2.209 20 10 DECDRO COc1ccc(C[NH2+]CCC[C@@H](C)O)cc1Cn1cccn1 ZINC000873115050 689160773 /nfs/dbraw/zinc/16/07/73/689160773.db2.gz BFYAFUDHPCDACG-CQSZACIVSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1Cn1cccn1 ZINC000873129458 689165388 /nfs/dbraw/zinc/16/53/88/689165388.db2.gz MWVLZFDZRLDFCY-KRWDZBQOSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1Cn1cccn1 ZINC000873135764 689167114 /nfs/dbraw/zinc/16/71/14/689167114.db2.gz NFPJPURHYAZBEJ-CQSZACIVSA-N 1 0 315.417 2.191 20 10 DECDRO Fc1cc(CN[C@]23CCC[C@@H]2[NH2+]CC3)ccc1N1CCOCC1 ZINC000873229844 689190072 /nfs/dbraw/zinc/19/00/72/689190072.db2.gz HIQFMCYAOODYDL-ROUUACIJSA-N 1 0 319.424 2.037 20 10 DECDRO CN1CCCc2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)ccc21 ZINC000874251895 689378011 /nfs/dbraw/zinc/37/80/11/689378011.db2.gz SSLNUQDXVJRFEK-HNNXBMFYSA-N 1 0 301.434 2.027 20 10 DECDRO O=C(NC1CC[NH+](C2CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875040316 689561959 /nfs/dbraw/zinc/56/19/59/689561959.db2.gz KQXZLCQINQUCJT-UHFFFAOYSA-N 1 0 301.390 2.044 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875345858 689610629 /nfs/dbraw/zinc/61/06/29/689610629.db2.gz JEPJGGJSGNAQHK-ZIAGYGMSSA-N 1 0 303.406 2.290 20 10 DECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000876883765 689963783 /nfs/dbraw/zinc/96/37/83/689963783.db2.gz AWTGMIGFHMTIQR-DNGMOHDESA-N 1 0 314.429 2.443 20 10 DECDRO COc1cc(OC)c2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CCC2 ZINC000877011345 689996490 /nfs/dbraw/zinc/99/64/90/689996490.db2.gz AJRYLIJFIBPWCI-UHFFFAOYSA-N 1 0 316.401 2.293 20 10 DECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877044223 690006238 /nfs/dbraw/zinc/00/62/38/690006238.db2.gz UBQLUBGTIJGWGN-SFHVURJKSA-N 1 0 306.450 2.144 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H](C)[NH3+])ccc21 ZINC000877106736 690019973 /nfs/dbraw/zinc/01/99/73/690019973.db2.gz ZEDXHXCYADTPLD-GFCCVEGCSA-N 1 0 317.433 2.324 20 10 DECDRO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877158553 690033992 /nfs/dbraw/zinc/03/39/92/690033992.db2.gz KHLXEIGDYGMWCH-LBPRGKRZSA-N 1 0 302.365 2.117 20 10 DECDRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000877255640 690058087 /nfs/dbraw/zinc/05/80/87/690058087.db2.gz GIRBQWKGQYMLGV-MLGOLLRUSA-N 1 0 314.385 2.148 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1O ZINC000877462014 690120738 /nfs/dbraw/zinc/12/07/38/690120738.db2.gz MLJDUCMTJZAJSP-GOSISDBHSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000877505791 690133993 /nfs/dbraw/zinc/13/39/93/690133993.db2.gz ZAFZIXAADAMBSV-RDJZCZTQSA-N 1 0 305.418 2.358 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)[C@H]1n1cccn1 ZINC000877554758 690150624 /nfs/dbraw/zinc/15/06/24/690150624.db2.gz ODLDAQICMUBNJN-USXIJHARSA-N 1 0 301.390 2.405 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000877556966 690151538 /nfs/dbraw/zinc/15/15/38/690151538.db2.gz LOJPWCMIFKDXEV-CQSZACIVSA-N 1 0 317.410 2.361 20 10 DECDRO OCCC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877577671 690156734 /nfs/dbraw/zinc/15/67/34/690156734.db2.gz YKJYJGJFYPQESL-MRXNPFEDSA-N 1 0 318.461 2.242 20 10 DECDRO CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000877595693 690161878 /nfs/dbraw/zinc/16/18/78/690161878.db2.gz AZXWWVCIXSZQJV-SFHVURJKSA-N 1 0 317.477 2.174 20 10 DECDRO COCC[N@@H+](Cc1ccc(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000877617781 690168877 /nfs/dbraw/zinc/16/88/77/690168877.db2.gz VSYDUHBOWDIDBK-CYBMUJFWSA-N 1 0 307.312 2.072 20 10 DECDRO Cc1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(O)c1 ZINC000877655564 690181268 /nfs/dbraw/zinc/18/12/68/690181268.db2.gz BZMLTOZUAXKQIL-UHFFFAOYSA-N 1 0 304.434 2.387 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c(O)c1 ZINC000877674568 690186349 /nfs/dbraw/zinc/18/63/49/690186349.db2.gz MLCGLMAQZGEDLW-HNNXBMFYSA-N 1 0 306.406 2.282 20 10 DECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877690618 690192111 /nfs/dbraw/zinc/19/21/11/690192111.db2.gz CUBKLILLQSOCNV-LJQANCHMSA-N 1 0 318.461 2.385 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2c(C)cccc2O)CCCOC1 ZINC000877699010 690195768 /nfs/dbraw/zinc/19/57/68/690195768.db2.gz UQRXIXHIQYBDSI-QGZVFWFLSA-N 1 0 307.390 2.150 20 10 DECDRO C[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1O ZINC000877758251 690218514 /nfs/dbraw/zinc/21/85/14/690218514.db2.gz PEITXBHWDUKXJC-JSGCOSHPSA-N 1 0 302.378 2.014 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)ccc1N(C)C ZINC000878944827 690533969 /nfs/dbraw/zinc/53/39/69/690533969.db2.gz BKAVOWWZFLFSJA-CQSZACIVSA-N 1 0 315.421 2.406 20 10 DECDRO CC(=O)c1cc(F)cc(Cn2cc([C@H]([NH3+])C(C)(C)C)nn2)c1O ZINC000880996540 691010831 /nfs/dbraw/zinc/01/08/31/691010831.db2.gz VXEWSPGVEJHZIZ-HNNXBMFYSA-N 1 0 320.368 2.420 20 10 DECDRO CC[C@H]([NH3+])c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000881000016 691011468 /nfs/dbraw/zinc/01/14/68/691011468.db2.gz YGCDPUBOYICCHE-LBPRGKRZSA-N 1 0 308.769 2.298 20 10 DECDRO CC1([NH+]2CCCC2)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000881109426 691031248 /nfs/dbraw/zinc/03/12/48/691031248.db2.gz XZJNSYQNDKLJFX-UHFFFAOYSA-N 1 0 322.380 2.327 20 10 DECDRO Cc1cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)ccc1N(C)C ZINC000881377898 691084736 /nfs/dbraw/zinc/08/47/36/691084736.db2.gz XNFNQGYZJPUFGY-OAHLLOKOSA-N 1 0 313.449 2.243 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2c(O)cccc2OC)n(C)c1C ZINC000883344546 691485043 /nfs/dbraw/zinc/48/50/43/691485043.db2.gz CPNIFQIFTYCDFH-UHFFFAOYSA-N 1 0 318.373 2.124 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000883374658 691492260 /nfs/dbraw/zinc/49/22/60/691492260.db2.gz KURDTOAYGIDGKA-BFLSOPEQSA-N 1 0 313.394 2.245 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)ccc1OC ZINC000886229028 692030997 /nfs/dbraw/zinc/03/09/97/692030997.db2.gz JQUQJPXFUVYYDM-IRXDYDNUSA-N 1 0 323.433 2.251 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886238814 692033805 /nfs/dbraw/zinc/03/38/05/692033805.db2.gz JDPKXWJBNMENCZ-CQSZACIVSA-N 1 0 305.349 2.233 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@]12CCOC2 ZINC000886251479 692036258 /nfs/dbraw/zinc/03/62/58/692036258.db2.gz DINKKYCYYIWSFT-MAUKXSAKSA-N 1 0 319.401 2.184 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000886324759 692056761 /nfs/dbraw/zinc/05/67/61/692056761.db2.gz FWCMMMODZZYPSY-CYBMUJFWSA-N 1 0 301.434 2.276 20 10 DECDRO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1c([O-])cccc1F ZINC000886502765 692094840 /nfs/dbraw/zinc/09/48/40/692094840.db2.gz MWTNQARWUSVAEB-AWEZNQCLSA-N 1 0 309.429 2.210 20 10 DECDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000886961134 692241044 /nfs/dbraw/zinc/24/10/44/692241044.db2.gz MBGYINFRUFEGLL-CYBMUJFWSA-N 1 0 311.389 2.406 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CN4C[C@@H]3CCC4)CC2)cc1 ZINC000924907730 693200138 /nfs/dbraw/zinc/20/01/38/693200138.db2.gz RGHXUUFSDHNTQE-HNAYVOBHSA-N 1 0 315.461 2.348 20 10 DECDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000925507081 693285692 /nfs/dbraw/zinc/28/56/92/693285692.db2.gz YFCDOVRRERZPPX-BEFAXECRSA-N 1 0 317.477 2.125 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1 ZINC000926952605 693534712 /nfs/dbraw/zinc/53/47/12/693534712.db2.gz BUSGJSIFJWXJNI-LLVKDONJSA-N 1 0 315.435 2.122 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC001333714239 1150082689 /nfs/dbraw/zinc/08/26/89/1150082689.db2.gz LFNACXAJTLWLFE-GFCCVEGCSA-N 1 0 308.422 2.444 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[N@@H+](C2CCC2)C1 ZINC001346739339 1151019248 /nfs/dbraw/zinc/01/92/48/1151019248.db2.gz PXUVHVFMYLVTHH-AWEZNQCLSA-N 1 0 316.449 2.285 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3cccc(Cl)c3O)[C@H]2C1 ZINC001348312888 1151144095 /nfs/dbraw/zinc/14/40/95/1151144095.db2.gz YPGVNIVRTBMJMA-OBJOEFQTSA-N 1 0 323.824 2.185 20 10 DECDRO CN1C[C@H](CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001354176073 1151875684 /nfs/dbraw/zinc/87/56/84/1151875684.db2.gz XGMULIKSVKEWEN-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CC2)[NH+](C)C)cc1 ZINC001355381823 1152007668 /nfs/dbraw/zinc/00/76/68/1152007668.db2.gz YWQWGZYWOUZPLO-OAHLLOKOSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001357351190 1152291839 /nfs/dbraw/zinc/29/18/39/1152291839.db2.gz OHGXTSPVLJOGEJ-OFQRWUPVSA-N 1 0 318.465 2.440 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001333308787 1150030494 /nfs/dbraw/zinc/03/04/94/1150030494.db2.gz ZGWODQVDTYTAMB-AEFFLSMTSA-N 1 0 304.434 2.428 20 10 DECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140468652 777201380 /nfs/dbraw/zinc/20/13/80/777201380.db2.gz SOHXCXPFSWEEKP-CYBMUJFWSA-N 1 0 305.765 2.489 20 10 DECDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(O)c(C)c2O)C(C)C)C1 ZINC001140747593 777740844 /nfs/dbraw/zinc/74/08/44/777740844.db2.gz GELANTWWKHULCE-OAHLLOKOSA-N 1 0 306.406 2.237 20 10 DECDRO COc1cc(O)c(CN2CC[C@@](C)([NH3+])C2)c(Br)c1 ZINC001204801789 779984551 /nfs/dbraw/zinc/98/45/51/779984551.db2.gz UXXIGLCVUHNTAH-CYBMUJFWSA-N 1 0 315.211 2.086 20 10 DECDRO CCOC(=O)C1(CC)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516124 790943308 /nfs/dbraw/zinc/94/33/08/790943308.db2.gz QEKHCZBSPIDSBN-UHFFFAOYSA-N 1 0 323.389 2.359 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001144516482 790943769 /nfs/dbraw/zinc/94/37/69/790943769.db2.gz ZVYXIJZQVYXAHY-UHFFFAOYSA-N 1 0 318.348 2.265 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC001333685374 1150078901 /nfs/dbraw/zinc/07/89/01/1150078901.db2.gz PZYGYSOXVUAHOV-ZIAGYGMSSA-N 1 0 311.353 2.124 20 10 DECDRO CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994341 784294469 /nfs/dbraw/zinc/29/44/69/784294469.db2.gz JFIDLQMQJUJLOK-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169039892 785014328 /nfs/dbraw/zinc/01/43/28/785014328.db2.gz VKFBVWFIOPFHQA-RISCZKNCSA-N 1 0 306.362 2.291 20 10 DECDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691429796 785357713 /nfs/dbraw/zinc/35/77/13/785357713.db2.gz XLPSEQCFNLPLME-RYUDHWBXSA-N 1 0 300.196 2.404 20 10 DECDRO NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1[nH]cc[nH+]1 ZINC001176084415 794344357 /nfs/dbraw/zinc/34/43/57/794344357.db2.gz OYQUXDXVFMDMRH-UHFFFAOYSA-N 1 0 320.352 2.412 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117948269 795129782 /nfs/dbraw/zinc/12/97/82/795129782.db2.gz QRFXJYJVCWASJK-UHFFFAOYSA-N 1 0 310.463 2.201 20 10 DECDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001179691418 795154067 /nfs/dbraw/zinc/15/40/67/795154067.db2.gz NJZWEXMVTDKKCA-CFFRKBPISA-N 1 0 316.401 2.243 20 10 DECDRO O=C(NCc1ccccc1O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001121950779 795708266 /nfs/dbraw/zinc/70/82/66/795708266.db2.gz JHUUWCFHPKSBNT-IAGOWNOFSA-N 1 0 310.397 2.087 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(F)nc2)cc1C ZINC001124929976 796094959 /nfs/dbraw/zinc/09/49/59/796094959.db2.gz ARWHVIRDOXBPLJ-UHFFFAOYSA-N 1 0 317.364 2.057 20 10 DECDRO CC(=O)N(C)C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220065 796184814 /nfs/dbraw/zinc/18/48/14/796184814.db2.gz YPWKRGGZIFYRGZ-UHFFFAOYSA-N 1 0 301.434 2.339 20 10 DECDRO Cc1c(CN2CC([N@H+](C)[C@H]3CCOC3)C2)c2ccccc2n1C ZINC001138257987 796188232 /nfs/dbraw/zinc/18/82/32/796188232.db2.gz GTSFQQDFJJZKTI-HNNXBMFYSA-N 1 0 313.445 2.392 20 10 DECDRO Cc1c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c2ccccc2n1C ZINC001138253816 796188270 /nfs/dbraw/zinc/18/82/70/796188270.db2.gz HSWAITLHWRNWGC-GDIGMMSISA-N 1 0 314.429 2.458 20 10 DECDRO COC(=O)C1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138356004 796204190 /nfs/dbraw/zinc/20/41/90/796204190.db2.gz YNJPAQFGPAYSMY-UHFFFAOYSA-N 1 0 302.418 2.454 20 10 DECDRO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357470 796204669 /nfs/dbraw/zinc/20/46/69/796204669.db2.gz FXOABDGAQZKBAN-KRWDZBQOSA-N 1 0 301.434 2.170 20 10 DECDRO O[C@]1(CF)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138495039 796226821 /nfs/dbraw/zinc/22/68/21/796226821.db2.gz CZVOTOODQZHFKC-GOSISDBHSA-N 1 0 322.424 2.210 20 10 DECDRO CCCOC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408884 796373149 /nfs/dbraw/zinc/37/31/49/796373149.db2.gz GURUQTHCQITEEG-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCCCC34COC4)cc2)CC1 ZINC001140285543 796501606 /nfs/dbraw/zinc/50/16/06/796501606.db2.gz OCVSHEMNSOLBTH-UHFFFAOYSA-N 1 0 316.445 2.403 20 10 DECDRO CCNC(=O)OC1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584264 796542180 /nfs/dbraw/zinc/54/21/80/796542180.db2.gz LALDQDDYLSUZDR-UHFFFAOYSA-N 1 0 314.332 2.381 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2cn(C)nc21 ZINC001140620777 796547087 /nfs/dbraw/zinc/54/70/87/796547087.db2.gz BEKDSQOUCXFANR-HNNXBMFYSA-N 1 0 301.390 2.180 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660040 796551362 /nfs/dbraw/zinc/55/13/62/796551362.db2.gz DAJSRDDYPANIQU-SFHVURJKSA-N 1 0 322.424 2.399 20 10 DECDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662040 796552649 /nfs/dbraw/zinc/55/26/49/796552649.db2.gz BXCGZJARQFOQDO-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC001140747839 796567349 /nfs/dbraw/zinc/56/73/49/796567349.db2.gz MWBOHOBKCIJCKZ-OAHLLOKOSA-N 1 0 300.358 2.455 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c(O)c1 ZINC001140857746 796585281 /nfs/dbraw/zinc/58/52/81/796585281.db2.gz YSLFVJCOODXIFC-QGZVFWFLSA-N 1 0 319.449 2.291 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(OC)c1 ZINC001141031514 796621312 /nfs/dbraw/zinc/62/13/12/796621312.db2.gz HGUXVENYTSIDNK-BLLLJJGKSA-N 1 0 307.390 2.410 20 10 DECDRO CCN1CCC([N@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143287 796639032 /nfs/dbraw/zinc/63/90/32/796639032.db2.gz SKFQTHXVWLSNAQ-UHFFFAOYSA-N 1 0 303.450 2.431 20 10 DECDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162475 796643258 /nfs/dbraw/zinc/64/32/58/796643258.db2.gz SZPAYVLGKXZCFO-UHFFFAOYSA-N 1 0 306.406 2.225 20 10 DECDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001142627543 796755370 /nfs/dbraw/zinc/75/53/70/796755370.db2.gz QOAHAGFOYOMVAN-HNNXBMFYSA-N 1 0 320.433 2.411 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)c2cc(O)c(O)c(OC)c2)CC1 ZINC001193095994 797508638 /nfs/dbraw/zinc/50/86/38/797508638.db2.gz DDVIUIBKBLQTMM-UHFFFAOYSA-N 1 0 322.405 2.053 20 10 DECDRO CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875712 798179766 /nfs/dbraw/zinc/17/97/66/798179766.db2.gz SWPYNVFUVOLPSB-UHFFFAOYSA-N 1 0 320.389 2.151 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC001199720935 798526461 /nfs/dbraw/zinc/52/64/61/798526461.db2.gz CAHKMUPYLKMBEP-HIFRSBDPSA-N 1 0 322.424 2.444 20 10 DECDRO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccccc1O)C2 ZINC001203551680 800078716 /nfs/dbraw/zinc/07/87/16/800078716.db2.gz KJNVREDZZLEEKP-OAHLLOKOSA-N 1 0 301.390 2.354 20 10 DECDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2C1 ZINC001203552545 800079245 /nfs/dbraw/zinc/07/92/45/800079245.db2.gz NTPPTFKNWJKDGY-QKDCVEJESA-N 1 0 300.402 2.129 20 10 DECDRO COc1cccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c1O ZINC001203595476 800086825 /nfs/dbraw/zinc/08/68/25/800086825.db2.gz CUJURAWEPSLCPI-UHFFFAOYSA-N 1 0 324.380 2.250 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636649 800097131 /nfs/dbraw/zinc/09/71/31/800097131.db2.gz ZAIBZVZUGXOIMO-CYBMUJFWSA-N 1 0 300.196 2.359 20 10 DECDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(Br)ccc1O ZINC001203645921 800099954 /nfs/dbraw/zinc/09/99/54/800099954.db2.gz WNIFAKNNKUQGEC-UHFFFAOYSA-N 1 0 315.211 2.065 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c1 ZINC001203675097 800104401 /nfs/dbraw/zinc/10/44/01/800104401.db2.gz MHPWWGPLIXRWOW-SFHVURJKSA-N 1 0 318.417 2.378 20 10 DECDRO CC[C@@H]1[N@H+](Cc2ccc(O)c(O)c2)CCC[C@]12CCC(=O)N2C ZINC001203876806 800138708 /nfs/dbraw/zinc/13/87/08/800138708.db2.gz JKOMPETVMQZITK-WMZOPIPTSA-N 1 0 318.417 2.463 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc1 ZINC001203940527 800149329 /nfs/dbraw/zinc/14/93/29/800149329.db2.gz OPFPBXOVBRZNDJ-MSOLQXFVSA-N 1 0 306.450 2.098 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)ccc1N(C)C ZINC000933754830 800179289 /nfs/dbraw/zinc/17/92/89/800179289.db2.gz DPUQERXBDJLDOI-YJBOKZPZSA-N 1 0 301.434 2.148 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001204275015 800198314 /nfs/dbraw/zinc/19/83/14/800198314.db2.gz LNECEYQNGHBWJA-FUHWJXTLSA-N 1 0 319.401 2.258 20 10 DECDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204283002 800200473 /nfs/dbraw/zinc/20/04/73/800200473.db2.gz WDSIZZFQXKDGIV-OAHLLOKOSA-N 1 0 300.358 2.455 20 10 DECDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328628 800205575 /nfs/dbraw/zinc/20/55/75/800205575.db2.gz KZIGRNQWWPUODB-GOSISDBHSA-N 1 0 301.434 2.339 20 10 DECDRO COC(=O)c1c(CN2CCC[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117097 800298340 /nfs/dbraw/zinc/29/83/40/800298340.db2.gz KPBFMEFJRAZQRV-CYBMUJFWSA-N 1 0 315.417 2.278 20 10 DECDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001205779061 800418613 /nfs/dbraw/zinc/41/86/13/800418613.db2.gz JAORHRZIHZYNGK-SECBINFHSA-N 1 0 306.740 2.167 20 10 DECDRO FC1(F)CNCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001211340921 801549671 /nfs/dbraw/zinc/54/96/71/801549671.db2.gz FKWJQRJTUQVEEM-UHFFFAOYSA-N 1 0 321.415 2.426 20 10 DECDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)nc1 ZINC001231594447 801691900 /nfs/dbraw/zinc/69/19/00/801691900.db2.gz FFHYFMAZYCMOLY-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2cccc(C)c2O)Cc2ncn(C)c21 ZINC001231592257 801692156 /nfs/dbraw/zinc/69/21/56/801692156.db2.gz LKTFXRMUYAFPHN-AWEZNQCLSA-N 1 0 301.390 2.180 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(O)cc1O ZINC001231636304 801700317 /nfs/dbraw/zinc/70/03/17/801700317.db2.gz SEPBNXUUQPXJSX-CYBMUJFWSA-N 1 0 301.346 2.234 20 10 DECDRO CCN(CC[NH+]1CCCCC1)Cc1cc(OC)c(O)cc1O ZINC001231638396 801702121 /nfs/dbraw/zinc/70/21/21/801702121.db2.gz ZDCJGEHGMGMMFU-UHFFFAOYSA-N 1 0 308.422 2.414 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231702677 801715881 /nfs/dbraw/zinc/71/58/81/801715881.db2.gz AEENUFKXCCEEKU-UHFFFAOYSA-N 1 0 314.389 2.120 20 10 DECDRO Cc1cc(C)c(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c(O)c1 ZINC001231844504 801735905 /nfs/dbraw/zinc/73/59/05/801735905.db2.gz KNCIQHZBVOZLTE-HOTGVXAUSA-N 1 0 324.428 2.367 20 10 DECDRO Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001231850311 801737470 /nfs/dbraw/zinc/73/74/70/801737470.db2.gz MUSFJGIZJPCNJY-HOCLYGCPSA-N 1 0 302.418 2.452 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1Cl ZINC001231870180 801742121 /nfs/dbraw/zinc/74/21/21/801742121.db2.gz MNUUKYMIQKZKHQ-HNNXBMFYSA-N 1 0 310.781 2.428 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(O)C2)c2ccccc2n1C ZINC001232408279 801871911 /nfs/dbraw/zinc/87/19/11/801871911.db2.gz YRLPFPSOBCOELL-GOSISDBHSA-N 1 0 316.401 2.312 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)[C@H]1C ZINC001232840321 801969602 /nfs/dbraw/zinc/96/96/02/801969602.db2.gz SQNHCDUGGNDRCC-WFASDCNBSA-N 1 0 306.406 2.232 20 10 DECDRO CN(CC[NH+](C)C)Cc1c([O-])cc(Br)cc1F ZINC001233027676 802006016 /nfs/dbraw/zinc/00/60/16/802006016.db2.gz WWEMLMFXUOFLFQ-UHFFFAOYSA-N 1 0 305.191 2.287 20 10 DECDRO COC(=O)C1(O)CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233286639 802065308 /nfs/dbraw/zinc/06/53/08/802065308.db2.gz CQCPTCGGEMYTOL-UHFFFAOYSA-N 1 0 321.417 2.190 20 10 DECDRO Cc1ccccc1N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482447 802126359 /nfs/dbraw/zinc/12/63/59/802126359.db2.gz NWDBFBKVUFMXBW-UHFFFAOYSA-N 1 0 314.385 2.434 20 10 DECDRO Oc1cc(O)c(CN2CCCC[C@H]2C[NH+]2CCCC2)cc1O ZINC001233485209 802127097 /nfs/dbraw/zinc/12/70/97/802127097.db2.gz MYHFAFJWPZJVFW-AWEZNQCLSA-N 1 0 306.406 2.254 20 10 DECDRO CCc1nc(C2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)no1 ZINC001233486589 802127717 /nfs/dbraw/zinc/12/77/17/802127717.db2.gz TUQXYJZGNKBDOK-UHFFFAOYSA-N 1 0 319.361 2.128 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@@H]1O ZINC001233726751 802190860 /nfs/dbraw/zinc/19/08/60/802190860.db2.gz HAWYEKKWOCQSKO-KOLCDFICSA-N 1 0 305.296 2.494 20 10 DECDRO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc2c(c1)NCC2 ZINC001219122517 802286033 /nfs/dbraw/zinc/28/60/33/802286033.db2.gz QEZKFUDNTVADNL-UHFFFAOYSA-N 1 0 322.412 2.317 20 10 DECDRO COCCC[NH+]1CCC(Oc2cc(O)c(O)cc2C(C)=O)CC1 ZINC001234476885 802390058 /nfs/dbraw/zinc/39/00/58/802390058.db2.gz PKIOVHKZEUIOOC-UHFFFAOYSA-N 1 0 323.389 2.180 20 10 DECDRO [NH3+][C@@H](Cc1ccnc2ccccc12)C(=O)NCc1ccccc1O ZINC001219923511 802391050 /nfs/dbraw/zinc/39/10/50/802391050.db2.gz PTBRPNOMIWMWOS-INIZCTEOSA-N 1 0 321.380 2.127 20 10 DECDRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001331251004 1149403233 /nfs/dbraw/zinc/40/32/33/1149403233.db2.gz ALEDMBXJZJLLMC-AEFFLSMTSA-N 1 0 304.434 2.306 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001328725226 1148828900 /nfs/dbraw/zinc/82/89/00/1148828900.db2.gz ALCOHVHYIOOWIF-RKDXNWHRSA-N 1 0 320.311 2.118 20 10 DECDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001328923796 1148848322 /nfs/dbraw/zinc/84/83/22/1148848322.db2.gz UEVFRZREORJDPA-UHFFFAOYSA-N 1 0 300.349 2.320 20 10 DECDRO CC(C)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCOCC1 ZINC001461013747 1058568661 /nfs/dbraw/zinc/56/86/61/1058568661.db2.gz MGANYDYLNRWXTF-SFHVURJKSA-N 1 0 323.456 2.338 20 10 DECDRO CN(C)c1ncc(C[NH2+]CCCSc2nccs2)cn1 ZINC001461232519 1058617528 /nfs/dbraw/zinc/61/75/28/1058617528.db2.gz QERXLQIWQSCCGT-UHFFFAOYSA-N 1 0 309.464 2.271 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC001462344665 1058806760 /nfs/dbraw/zinc/80/67/60/1058806760.db2.gz UVTRYUZVJRRYLU-BBRMVZONSA-N 1 0 317.389 2.144 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001463721091 1059013781 /nfs/dbraw/zinc/01/37/81/1059013781.db2.gz CIIFRZGWFHVNHV-WBVHZDCISA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)COC(C)C)cc1C ZINC001505570867 1060724452 /nfs/dbraw/zinc/72/44/52/1060724452.db2.gz NIQVVEFHRBZNMU-LSDHHAIUSA-N 1 0 322.449 2.411 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccco2)cc1C ZINC001480558394 1063029432 /nfs/dbraw/zinc/02/94/32/1063029432.db2.gz AWIJKODFQFCXBL-CQSZACIVSA-N 1 0 316.401 2.434 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccoc2)cc1C ZINC001567486546 1064221092 /nfs/dbraw/zinc/22/10/92/1064221092.db2.gz TWHWRFUQFPPWQU-UHFFFAOYSA-N 1 0 316.401 2.387 20 10 DECDRO CC[C@H](OC)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568984531 1065227229 /nfs/dbraw/zinc/22/72/29/1065227229.db2.gz RGQOIJGTENEENQ-HIFRSBDPSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)OC)cc1C ZINC001496019364 1065231903 /nfs/dbraw/zinc/23/19/03/1065231903.db2.gz ZDLFSFGURQGDSC-LSDHHAIUSA-N 1 0 322.449 2.365 20 10 DECDRO C[C@H](CC[NH+](C)C)C(=O)NCCCSc1nccs1 ZINC001628326098 1078295844 /nfs/dbraw/zinc/29/58/44/1078295844.db2.gz QGMNUSRJYSVHNU-LLVKDONJSA-N 1 0 301.481 2.329 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCOC[C@@H]2C)cc1F ZINC001620773896 1066370430 /nfs/dbraw/zinc/37/04/30/1066370430.db2.gz FJZNBOMUYGENIZ-HNNXBMFYSA-N 1 0 323.456 2.482 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC001620780603 1066671142 /nfs/dbraw/zinc/67/11/42/1066671142.db2.gz UAHSOKSMVAPXAZ-AWEZNQCLSA-N 1 0 301.434 2.297 20 10 DECDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001266996052 1078487688 /nfs/dbraw/zinc/48/76/88/1078487688.db2.gz MDEFSCJRNKLANB-LLVKDONJSA-N 1 0 317.393 2.357 20 10 DECDRO CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996390 1078488073 /nfs/dbraw/zinc/48/80/73/1078488073.db2.gz OXYBUNKWYZISMJ-JQWIXIFHSA-N 1 0 323.372 2.305 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001579589335 1067376791 /nfs/dbraw/zinc/37/67/91/1067376791.db2.gz FLAQVJYOQQBHKY-SHTZXODSSA-N 1 0 311.385 2.126 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC001580227844 1067530552 /nfs/dbraw/zinc/53/05/52/1067530552.db2.gz CGBYYHIHMUHUBS-CYBMUJFWSA-N 1 0 303.366 2.096 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC001515655602 1068891857 /nfs/dbraw/zinc/89/18/57/1068891857.db2.gz SORHLRRJIKOTNF-OKILXGFUSA-N 1 0 301.365 2.453 20 10 DECDRO Oc1cccc(Br)c1CN1CC2(C1)CCCC[NH2+]2 ZINC001235921200 1084565482 /nfs/dbraw/zinc/56/54/82/1084565482.db2.gz FESMMNYSDKUBAX-UHFFFAOYSA-N 1 0 311.223 2.483 20 10 DECDRO CCOCc1cc(C[NH2+]CC(=O)NCC(C)C)ccc1OC ZINC001560317001 1075137044 /nfs/dbraw/zinc/13/70/44/1075137044.db2.gz WZVGGYZBMGSXMA-UHFFFAOYSA-N 1 0 308.422 2.094 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001652362098 1079873039 /nfs/dbraw/zinc/87/30/39/1079873039.db2.gz XOGRPVUHKIIMQW-SUNYJGFJSA-N 1 0 321.417 2.478 20 10 DECDRO COc1cc(O)c(CN2C[C@H](CO)C[C@H](F)C2)c(Cl)c1 ZINC001236797347 1079943338 /nfs/dbraw/zinc/94/33/38/1079943338.db2.gz DMRJIVLDWFZWNV-ZJUUUORDSA-N 1 0 303.761 2.207 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC001657314639 1080170164 /nfs/dbraw/zinc/17/01/64/1080170164.db2.gz YBZPDSBRBVFTCK-KCXAZCMYSA-N 1 0 300.402 2.111 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(O)c1 ZINC001659130867 1080232368 /nfs/dbraw/zinc/23/23/68/1080232368.db2.gz NSAPVMLVEWOIJW-ZDUSSCGKSA-N 1 0 301.390 2.432 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](OC)C2CC2)cc1C ZINC001662207993 1080583689 /nfs/dbraw/zinc/58/36/89/1080583689.db2.gz UEEMMKHOOFAHKS-CXAGYDPISA-N 1 0 320.433 2.023 20 10 DECDRO CC(C)c1ccc(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC001665185384 1080998184 /nfs/dbraw/zinc/99/81/84/1080998184.db2.gz HJOFVQRGFIYPMV-QGZVFWFLSA-N 1 0 304.434 2.422 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001674632384 1081895682 /nfs/dbraw/zinc/89/56/82/1081895682.db2.gz AKDVJQQMNCXZPO-OLZOCXBDSA-N 1 0 316.405 2.023 20 10 DECDRO C[C@H](C[S@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706883261 1082291989 /nfs/dbraw/zinc/29/19/89/1082291989.db2.gz LCKBAWXBCARSNV-BCTVWOGZSA-N 1 0 306.225 2.011 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C(F)F)C2CC2)cc1C ZINC001276528032 1083480617 /nfs/dbraw/zinc/48/06/17/1083480617.db2.gz DBQNCVSQTAIRSL-ZDUSSCGKSA-N 1 0 312.360 2.253 20 10 DECDRO C[N@@H+]1CCC12CN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001276788707 1083611087 /nfs/dbraw/zinc/61/10/87/1083611087.db2.gz FQJITPMZAZNUQV-UHFFFAOYSA-N 1 0 321.852 2.067 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(OCC(F)(F)F)cc1O ZINC001276814036 1083626570 /nfs/dbraw/zinc/62/65/70/1083626570.db2.gz BGYCWEGQXLOXGT-TXEJJXNPSA-N 1 0 316.323 2.222 20 10 DECDRO CN(C)c1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c2ccccc21 ZINC001277174027 1083827950 /nfs/dbraw/zinc/82/79/50/1083827950.db2.gz RMCNURKHUPPFRU-MRXNPFEDSA-N 1 0 309.413 2.213 20 10 DECDRO CCN(C(=O)C12CC([NH2+]Cc3ccc(O)cc3O)(C1)C2)C(C)C ZINC001277190690 1083839562 /nfs/dbraw/zinc/83/95/62/1083839562.db2.gz PINOITWAYOKDGE-UHFFFAOYSA-N 1 0 318.417 2.367 20 10 DECDRO O=C([C@H]1CC12C[NH+](Cc1ccccc1O)C2)N1CCCC12CC2 ZINC001277445463 1083973749 /nfs/dbraw/zinc/97/37/49/1083973749.db2.gz GSPFATNMPDGBFG-OAHLLOKOSA-N 1 0 312.413 2.369 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)c1O ZINC001277453635 1083979842 /nfs/dbraw/zinc/97/98/42/1083979842.db2.gz DKVOQNPSCAFDLE-KBXCAEBGSA-N 1 0 318.417 2.268 20 10 DECDRO CC(C)(C)OC(=O)N1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001203550263 1084069514 /nfs/dbraw/zinc/06/95/14/1084069514.db2.gz OSOLIEZXKOMCRK-UHFFFAOYSA-N 1 0 304.390 2.445 20 10 DECDRO CC(C)(C)c1ccc(C[NH+]2CCN(CCCO)CC2)c(O)c1 ZINC001235674946 1084496626 /nfs/dbraw/zinc/49/66/26/1084496626.db2.gz JMXOEKPJJSQVTF-UHFFFAOYSA-N 1 0 306.450 2.190 20 10 DECDRO CC(C)(C)c1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001235681809 1084496740 /nfs/dbraw/zinc/49/67/40/1084496740.db2.gz LBHYXRWOFJAOHD-UHFFFAOYSA-N 1 0 300.406 2.340 20 10 DECDRO CC[C@H]1C[NH2+]CCN1Cc1c2ccccc2n(C)c1C(=O)OC ZINC001235774113 1084524461 /nfs/dbraw/zinc/52/44/61/1084524461.db2.gz ROBTXCXILUDUIB-ZDUSSCGKSA-N 1 0 315.417 2.149 20 10 DECDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976899 1084579850 /nfs/dbraw/zinc/57/98/50/1084579850.db2.gz DKZAYNCQNLKMJK-KXBFYZLASA-N 1 0 313.445 2.014 20 10 DECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001235992596 1084584517 /nfs/dbraw/zinc/58/45/17/1084584517.db2.gz PTUAILVZNVKXLE-RISCZKNCSA-N 1 0 316.323 2.256 20 10 DECDRO C[C@@H]1C[C@@H]([NH3+])CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001236046249 1084597885 /nfs/dbraw/zinc/59/78/85/1084597885.db2.gz FJZXAIDWSSHQSX-PSASIEDQSA-N 1 0 317.202 2.463 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCN1CCOC[C@H]1C ZINC001649126192 1086645181 /nfs/dbraw/zinc/64/51/81/1086645181.db2.gz HZPOWGQLHMZBAY-CQSZACIVSA-N 1 0 301.434 2.297 20 10 DECDRO CSC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706834322 1086651947 /nfs/dbraw/zinc/65/19/47/1086651947.db2.gz 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CC(C)(C)[NH2+]CC(=O)NCc1cc(Br)ccc1O ZINC001322569129 1141632439 /nfs/dbraw/zinc/63/24/39/1141632439.db2.gz MFFQXKXACJFEJJ-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO CO[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@H]1OC ZINC001249223444 1141862593 /nfs/dbraw/zinc/86/25/93/1141862593.db2.gz GNHVAFRIORWFTD-IYBDPMFKSA-N 1 0 319.401 2.422 20 10 DECDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC=CC2)c(O)c1 ZINC001249725961 1142015320 /nfs/dbraw/zinc/01/53/20/1142015320.db2.gz UVWWVIBPOSBCCZ-UHFFFAOYSA-N 1 0 305.374 2.486 20 10 DECDRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001324379094 1142065999 /nfs/dbraw/zinc/06/59/99/1142065999.db2.gz SNDAQZDFRKXBAZ-IBGZPJMESA-N 1 0 317.477 2.223 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NCC2([NH3+])CC2)cc1 ZINC001336972805 1142645239 /nfs/dbraw/zinc/64/52/39/1142645239.db2.gz GLGIQDIWZOQSOU-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1O ZINC001338754252 1142876205 /nfs/dbraw/zinc/87/62/05/1142876205.db2.gz IXPJGHXSIQFNLP-UXEPBGEESA-N 1 0 311.385 2.377 20 10 DECDRO CCOc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)cc1 ZINC001253864382 1142992145 /nfs/dbraw/zinc/99/21/45/1142992145.db2.gz UOILVGXYZFJQFG-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)CC1=O ZINC001254227248 1143061351 /nfs/dbraw/zinc/06/13/51/1143061351.db2.gz CMXSUSZGHAUZHA-CYBMUJFWSA-N 1 0 320.389 2.408 20 10 DECDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001255182576 1143474109 /nfs/dbraw/zinc/47/41/09/1143474109.db2.gz FZDXJIVXBQCMDU-ZSOGYDGISA-N 1 0 320.389 2.339 20 10 DECDRO CCOC(=O)C1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001255251978 1143524736 /nfs/dbraw/zinc/52/47/36/1143524736.db2.gz RIMSEWXPFJTIRB-UHFFFAOYSA-N 1 0 323.389 2.057 20 10 DECDRO COC(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341802770 1143712443 /nfs/dbraw/zinc/71/24/43/1143712443.db2.gz MLZBOENODQDXFS-UHFFFAOYSA-N 1 0 309.429 2.092 20 10 DECDRO Cc1c(C(=O)NCCc2ccc(O)c(O)c2)ccc2c[nH+]cn21 ZINC001342117691 1143792853 /nfs/dbraw/zinc/79/28/53/1143792853.db2.gz BVGRNRXOTFBNQA-UHFFFAOYSA-N 1 0 311.341 2.026 20 10 DECDRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001256326836 1143842898 /nfs/dbraw/zinc/84/28/98/1143842898.db2.gz VDBWULDZBBREGP-CABCVRRESA-N 1 0 319.449 2.041 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ncc[nH]2)cc1C ZINC001266142927 1144809330 /nfs/dbraw/zinc/80/93/30/1144809330.db2.gz BPWGIKGAAMARPJ-CYBMUJFWSA-N 1 0 316.405 2.025 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](C(N)=O)c2ccccc2)c1O ZINC001308731085 1147483612 /nfs/dbraw/zinc/48/36/12/1147483612.db2.gz GNLGEYTZLCHCNL-HNNXBMFYSA-N 1 0 300.358 2.025 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000269252775 529782039 /nfs/dbraw/zinc/78/20/39/529782039.db2.gz ZZISQRUNOXQBBB-UAGQMJEPSA-N 1 0 301.434 2.290 20 10 DECDRO CCC[C@@H](C)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052690023 354411217 /nfs/dbraw/zinc/41/12/17/354411217.db2.gz ASCYCISFKRHBJG-LLVKDONJSA-N 1 0 320.393 2.232 20 10 DECDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092188682 355620242 /nfs/dbraw/zinc/62/02/42/355620242.db2.gz ZOXZSKMVDOEMPM-ZDUSSCGKSA-N 1 0 309.797 2.035 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000584730640 357300246 /nfs/dbraw/zinc/30/02/46/357300246.db2.gz SXSRVEXFOUGQST-UHFFFAOYSA-N 1 0 317.433 2.210 20 10 DECDRO CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccc(F)cc1 ZINC000592493864 357886033 /nfs/dbraw/zinc/88/60/33/357886033.db2.gz CJHWALKUFFONME-NSHDSACASA-N 1 0 302.353 2.135 20 10 DECDRO COc1ccccc1N(C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592493878 357886174 /nfs/dbraw/zinc/88/61/74/357886174.db2.gz FFLNNLHAARMUBJ-LBPRGKRZSA-N 1 0 314.389 2.004 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093018006 193195249 /nfs/dbraw/zinc/19/52/49/193195249.db2.gz BCZVDSRCUKDRCR-MRXNPFEDSA-N 1 0 304.434 2.245 20 10 DECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC000093614177 193273648 /nfs/dbraw/zinc/27/36/48/193273648.db2.gz XNVYBQKWQBSTBW-DLBZAZTESA-N 1 0 305.418 2.453 20 10 DECDRO COC(=O)C(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000378611304 533141980 /nfs/dbraw/zinc/14/19/80/533141980.db2.gz OXAXKPIWXDAFSY-UHFFFAOYSA-N 1 0 320.433 2.453 20 10 DECDRO Cc1cccc(N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000521394879 257241127 /nfs/dbraw/zinc/24/11/27/257241127.db2.gz NXMSCMVDNRJGRC-CQSZACIVSA-N 1 0 312.417 2.472 20 10 DECDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000295018327 224382361 /nfs/dbraw/zinc/38/23/61/224382361.db2.gz KIAADBMRQJGDTH-QGZVFWFLSA-N 1 0 307.390 2.021 20 10 DECDRO COc1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000371800342 533477995 /nfs/dbraw/zinc/47/79/95/533477995.db2.gz AUIDDWLXILMPCT-AWEZNQCLSA-N 1 0 321.417 2.418 20 10 DECDRO COc1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000371800343 533478296 /nfs/dbraw/zinc/47/82/96/533478296.db2.gz AUIDDWLXILMPCT-CQSZACIVSA-N 1 0 321.417 2.418 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294697169 533478402 /nfs/dbraw/zinc/47/84/02/533478402.db2.gz CTWWFESGBIBNRM-CYBMUJFWSA-N 1 0 308.378 2.063 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccn1 ZINC000272254019 130013492 /nfs/dbraw/zinc/01/34/92/130013492.db2.gz MCTSYRQHGBMFJX-HIFRSBDPSA-N 1 0 312.417 2.298 20 10 DECDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1=CC[N@H+](C)CC1 ZINC000272744250 130059770 /nfs/dbraw/zinc/05/97/70/130059770.db2.gz DERAKTBMEGWZRB-CYBMUJFWSA-N 1 0 303.406 2.184 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000273174756 130094732 /nfs/dbraw/zinc/09/47/32/130094732.db2.gz WTJYYWLZXZYPBE-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273550464 130135445 /nfs/dbraw/zinc/13/54/45/130135445.db2.gz FVURMRDBVTUVGF-SGTLLEGYSA-N 1 0 315.417 2.389 20 10 DECDRO COCCOCCOCCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000274411440 130232920 /nfs/dbraw/zinc/23/29/20/130232920.db2.gz ONBOBVLLGUUSHN-UHFFFAOYSA-N 1 0 311.422 2.168 20 10 DECDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000278824295 130721720 /nfs/dbraw/zinc/72/17/20/130721720.db2.gz OKQQVSQEGKYCAY-UONOGXRCSA-N 1 0 310.413 2.474 20 10 DECDRO COCCCn1nccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282662809 130934219 /nfs/dbraw/zinc/93/42/19/130934219.db2.gz MYIZHWCNSIRHRB-UHFFFAOYSA-N 1 0 320.412 2.415 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c(O)c1 ZINC000285407191 131165441 /nfs/dbraw/zinc/16/54/41/131165441.db2.gz XMQZZHGPAKSATD-OAHLLOKOSA-N 1 0 323.433 2.218 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1C ZINC000289377922 131381178 /nfs/dbraw/zinc/38/11/78/131381178.db2.gz CALSCTQBRTZYGY-DYEKYZERSA-N 1 0 307.390 2.468 20 10 DECDRO COCC[N@H+](Cc1cccnc1)Cc1cccc(OC)c1O ZINC000289466247 131388994 /nfs/dbraw/zinc/38/89/94/131388994.db2.gz OYTSVRVGCRLIBM-UHFFFAOYSA-N 1 0 302.374 2.444 20 10 DECDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299524576 132109575 /nfs/dbraw/zinc/10/95/75/132109575.db2.gz QXTYLKGPRALHOJ-UHFFFAOYSA-N 1 0 305.422 2.454 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000076074059 401781004 /nfs/dbraw/zinc/78/10/04/401781004.db2.gz GSVZKCQJNYYGOH-HOCLYGCPSA-N 1 0 320.433 2.288 20 10 DECDRO COCCC[N@H+](CCOC)Cc1cc(F)cc(C(C)=O)c1O ZINC000128950714 401796532 /nfs/dbraw/zinc/79/65/32/401796532.db2.gz FXCMPOQRLBNRIM-UHFFFAOYSA-N 1 0 313.369 2.219 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3nc(C)cs3)CC2)c1O ZINC000133869610 401895438 /nfs/dbraw/zinc/89/54/38/401895438.db2.gz ZCMJEZARJBYFEO-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO OC[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCc2ccccc21 ZINC000135908911 401955141 /nfs/dbraw/zinc/95/51/41/401955141.db2.gz DHAIOVXPRGXDEU-SFHVURJKSA-N 1 0 313.353 2.045 20 10 DECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000093647030 402018247 /nfs/dbraw/zinc/01/82/47/402018247.db2.gz CGZMRRDRIZLKHS-ZBFHGGJFSA-N 1 0 311.447 2.488 20 10 DECDRO COc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000063255899 402112269 /nfs/dbraw/zinc/11/22/69/402112269.db2.gz KXMHDFJQYAFICT-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000184677561 402290818 /nfs/dbraw/zinc/29/08/18/402290818.db2.gz XFJOOIYWVIVEKV-UHFFFAOYSA-N 1 0 313.781 2.393 20 10 DECDRO CC[N@H+](CCC(=O)OC)Cc1cc(Cl)cc(OC)c1O ZINC000184683052 402291651 /nfs/dbraw/zinc/29/16/51/402291651.db2.gz HKFMMIOXJKKKCA-UHFFFAOYSA-N 1 0 301.770 2.439 20 10 DECDRO Cc1nccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000184765984 402298229 /nfs/dbraw/zinc/29/82/29/402298229.db2.gz HKEXRDOERWDLTM-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184896176 402307323 /nfs/dbraw/zinc/30/73/23/402307323.db2.gz PQIJQHBNPWXDMI-SECBINFHSA-N 1 0 315.211 2.330 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000184992826 402315373 /nfs/dbraw/zinc/31/53/73/402315373.db2.gz IVRFFWOXDMWTHK-USXIJHARSA-N 1 0 324.428 2.298 20 10 DECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN1CC[NH+](C)CC1 ZINC000185343824 402345458 /nfs/dbraw/zinc/34/54/58/402345458.db2.gz YJCKBEWUQORPNW-KGLIPLIRSA-N 1 0 309.429 2.065 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237120823 402396282 /nfs/dbraw/zinc/39/62/82/402396282.db2.gz ZZISQRUNOXQBBB-XIRDDKMYSA-N 1 0 301.434 2.290 20 10 DECDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000237197306 402398722 /nfs/dbraw/zinc/39/87/22/402398722.db2.gz TUXQANWLQTZNHE-UHFFFAOYSA-N 1 0 313.401 2.390 20 10 DECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070871 402472311 /nfs/dbraw/zinc/47/23/11/402472311.db2.gz YGQDFCKKYATBSK-RHSMWYFYSA-N 1 0 319.449 2.041 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000192488876 402732528 /nfs/dbraw/zinc/73/25/28/402732528.db2.gz NBIBWUZZVSEWTE-IYBDPMFKSA-N 1 0 324.428 2.123 20 10 DECDRO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514793 402744748 /nfs/dbraw/zinc/74/47/48/402744748.db2.gz JURIAJCXJJRZEE-ZBFHGGJFSA-N 1 0 321.440 2.235 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1O ZINC000183247770 402750203 /nfs/dbraw/zinc/75/02/03/402750203.db2.gz UXUYGYDBSIJHSZ-AWEZNQCLSA-N 1 0 307.390 2.376 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[NH+](C2CCCCC2)CC1 ZINC000193137839 402766505 /nfs/dbraw/zinc/76/65/05/402766505.db2.gz KPEBLXWFGPWELT-UHFFFAOYSA-N 1 0 304.390 2.188 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263706878 402793970 /nfs/dbraw/zinc/79/39/70/402793970.db2.gz JJXRXVWRLGHMRT-KBPBESRZSA-N 1 0 305.422 2.312 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CO[C@@H](C)COC ZINC000278053326 402851525 /nfs/dbraw/zinc/85/15/25/402851525.db2.gz IZVNEIBUQWXJIK-GOEBONIOSA-N 1 0 311.422 2.017 20 10 DECDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278332496 402862854 /nfs/dbraw/zinc/86/28/54/402862854.db2.gz ZIYOWBOWGGOASO-GFCCVEGCSA-N 1 0 323.393 2.083 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278533217 402867578 /nfs/dbraw/zinc/86/75/78/402867578.db2.gz VLBDRVJUVGHMIT-OAHLLOKOSA-N 1 0 300.406 2.193 20 10 DECDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000278825403 402875499 /nfs/dbraw/zinc/87/54/99/402875499.db2.gz ZXPGXCMYKYALRJ-AWEZNQCLSA-N 1 0 304.369 2.023 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCn2cncn2)c(C(F)(F)F)c1 ZINC000280029000 402966592 /nfs/dbraw/zinc/96/65/92/402966592.db2.gz UMYOSCFOESEHKD-UHFFFAOYSA-N 1 0 313.327 2.153 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1F ZINC000280335663 402989405 /nfs/dbraw/zinc/98/94/05/402989405.db2.gz QWJQRCMMNZUUAQ-CVEARBPZSA-N 1 0 324.440 2.407 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1F ZINC000280398341 402996300 /nfs/dbraw/zinc/99/63/00/402996300.db2.gz XOBTXTWPOZYILO-QGZVFWFLSA-N 1 0 307.413 2.369 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc2ccccc2c1O ZINC000273365583 402998219 /nfs/dbraw/zinc/99/82/19/402998219.db2.gz BJFVIMUJTBWMNI-GOEBONIOSA-N 1 0 313.445 2.442 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280250110 402979670 /nfs/dbraw/zinc/97/96/70/402979670.db2.gz KZZAVKXUWFWJAY-DYVFJYSZSA-N 1 0 307.390 2.171 20 10 DECDRO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280860295 403044237 /nfs/dbraw/zinc/04/42/37/403044237.db2.gz NFKCOECIJNHTLT-JZXOWHBKSA-N 1 0 306.450 2.438 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@@H]1OC ZINC000274944660 403097727 /nfs/dbraw/zinc/09/77/27/403097727.db2.gz RCDDPXCZXNSAOU-KYOSRNDESA-N 1 0 315.797 2.336 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1 ZINC000268908222 403121378 /nfs/dbraw/zinc/12/13/78/403121378.db2.gz MJCZUCVQHVATSJ-CRAIPNDOSA-N 1 0 304.482 2.039 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1OC ZINC000283006767 403164791 /nfs/dbraw/zinc/16/47/91/403164791.db2.gz LDPGZNSZJQNRJQ-CYBMUJFWSA-N 1 0 317.389 2.310 20 10 DECDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000276766100 403193475 /nfs/dbraw/zinc/19/34/75/403193475.db2.gz NTAAIAVTRBNOCO-IBGZPJMESA-N 1 0 314.429 2.156 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1C ZINC000277713686 403248543 /nfs/dbraw/zinc/24/85/43/403248543.db2.gz WTDLBTHKXGFACA-OAHLLOKOSA-N 1 0 311.447 2.408 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292405491 403359954 /nfs/dbraw/zinc/35/99/54/403359954.db2.gz VHKGQPAZOZIFSU-MRXNPFEDSA-N 1 0 321.377 2.144 20 10 DECDRO CCOC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000285703578 403360661 /nfs/dbraw/zinc/36/06/61/403360661.db2.gz CVDXPHDKYDHPCS-QGZVFWFLSA-N 1 0 321.465 2.020 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1 ZINC000295110308 403762979 /nfs/dbraw/zinc/76/29/79/403762979.db2.gz LOELQEXFGUWKTI-INIZCTEOSA-N 1 0 322.449 2.117 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368962877 403916622 /nfs/dbraw/zinc/91/66/22/403916622.db2.gz FICCDEFMJCYFMU-DUFXMDAXSA-N 1 0 324.808 2.140 20 10 DECDRO COc1ccc(O)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289888060 404005576 /nfs/dbraw/zinc/00/55/76/404005576.db2.gz SNLRZUQHOHUHNV-UHFFFAOYSA-N 1 0 317.345 2.274 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290521665 404203596 /nfs/dbraw/zinc/20/35/96/404203596.db2.gz QAQFTNODWJVSCE-HNNXBMFYSA-N 1 0 318.417 2.235 20 10 DECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000296433184 404245648 /nfs/dbraw/zinc/24/56/48/404245648.db2.gz LZFRADXQRYXSOR-TZMCWYRMSA-N 1 0 314.451 2.069 20 10 DECDRO CN(C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1F ZINC000291626020 404452751 /nfs/dbraw/zinc/45/27/51/404452751.db2.gz ZQFWYRRRMBPSRE-UHFFFAOYSA-N 1 0 307.413 2.240 20 10 DECDRO C[C@H](CNC(=O)c1cccc(O)c1O)[N@H+](C)Cc1ccccc1 ZINC000193062515 225149996 /nfs/dbraw/zinc/14/99/96/225149996.db2.gz OETRRZFFQOULAC-CYBMUJFWSA-N 1 0 314.385 2.348 20 10 DECDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296605491 226042126 /nfs/dbraw/zinc/04/21/26/226042126.db2.gz VXTZGNWAXJNQTF-FMKPAKJESA-N 1 0 322.424 2.474 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000368540517 227013358 /nfs/dbraw/zinc/01/33/58/227013358.db2.gz YKJGEMCTLSWMEL-QGTPRVQTSA-N 1 0 303.450 2.266 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418103376 229221998 /nfs/dbraw/zinc/22/19/98/229221998.db2.gz WDVIUPZDZGWTLK-UHFFFAOYSA-N 1 0 314.433 2.380 20 10 DECDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000834899807 649858464 /nfs/dbraw/zinc/85/84/64/649858464.db2.gz KQDBIONIHPAUMD-BDAKNGLRSA-N 1 0 315.211 2.330 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@]1(O)CCc3ccccc31)OCO2 ZINC000132223150 275060805 /nfs/dbraw/zinc/06/08/05/275060805.db2.gz LCASPYUWXCCJFS-SFHVURJKSA-N 1 0 313.353 2.045 20 10 DECDRO CCOC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000173354540 276276887 /nfs/dbraw/zinc/27/68/87/276276887.db2.gz JMMVKADRKMBRLK-HNNXBMFYSA-N 1 0 307.390 2.326 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123558846 276379771 /nfs/dbraw/zinc/37/97/71/276379771.db2.gz CGPYEPWOMFJHHF-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286323380 288042896 /nfs/dbraw/zinc/04/28/96/288042896.db2.gz XQRXDSDKSRMYDR-PBHICJAKSA-N 1 0 323.456 2.456 20 10 DECDRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001349788605 1151283654 /nfs/dbraw/zinc/28/36/54/1151283654.db2.gz TVUXOLDCQGPUFS-KRWDZBQOSA-N 1 0 322.474 2.344 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000563875519 335095954 /nfs/dbraw/zinc/09/59/54/335095954.db2.gz VDFJRSOHEURJTI-CQSZACIVSA-N 1 0 314.433 2.286 20 10 DECDRO C[NH2+]CCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001357369435 1152293586 /nfs/dbraw/zinc/29/35/86/1152293586.db2.gz XNADJKRZUBYQFD-UHFFFAOYSA-N 1 0 321.490 2.246 20 10 DECDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@H]1C1CC1 ZINC000368765339 534176628 /nfs/dbraw/zinc/17/66/28/534176628.db2.gz NTYNHWKVFAJKPS-DLBZAZTESA-N 1 0 305.374 2.416 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000369101269 534192943 /nfs/dbraw/zinc/19/29/43/534192943.db2.gz VTTJWMWENLGMHX-MRXNPFEDSA-N 1 0 301.390 2.369 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000835028477 649868681 /nfs/dbraw/zinc/86/86/81/649868681.db2.gz RKFCMELKTYDYEA-RTRPANQVSA-N 1 0 301.434 2.496 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](C)C(=O)N(C)CC)ccc1OC ZINC000188888488 520185070 /nfs/dbraw/zinc/18/50/70/520185070.db2.gz KPRUOJMISIIEFV-ZDUSSCGKSA-N 1 0 308.422 2.188 20 10 DECDRO O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000377860013 534591223 /nfs/dbraw/zinc/59/12/23/534591223.db2.gz KCPLVYPYPPWTLV-GFCCVEGCSA-N 1 0 308.809 2.490 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1 ZINC000237193279 522074157 /nfs/dbraw/zinc/07/41/57/522074157.db2.gz KOZGWXUJNDXUHG-QGZVFWFLSA-N 1 0 315.392 2.370 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000171846210 522181316 /nfs/dbraw/zinc/18/13/16/522181316.db2.gz SRGAWMSSODBOTE-UHFFFAOYSA-N 1 0 310.445 2.465 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182232453 522212280 /nfs/dbraw/zinc/21/22/80/522212280.db2.gz YQYNKDYTNPMSST-HZPDHXFCSA-N 1 0 310.463 2.198 20 10 DECDRO COc1cc(O)c(CN(C)CC2([NH+](C)C)CCC2)cc1OC ZINC000189794393 522768485 /nfs/dbraw/zinc/76/84/85/522768485.db2.gz IXLGEBXCFLWKGP-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(N2CCOCC2)cc1 ZINC000155628325 525375570 /nfs/dbraw/zinc/37/55/70/525375570.db2.gz XBSRWRGSWUMDRG-HNNXBMFYSA-N 1 0 300.406 2.071 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000179987821 525422846 /nfs/dbraw/zinc/42/28/46/525422846.db2.gz ZHBOKDZAZVSMIW-YOEHRIQHSA-N 1 0 320.433 2.325 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(O)c1O ZINC000182257314 526100942 /nfs/dbraw/zinc/10/09/42/526100942.db2.gz HQSHIEHWFRAORL-CYBMUJFWSA-N 1 0 304.390 2.107 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000237697903 526254958 /nfs/dbraw/zinc/25/49/58/526254958.db2.gz NHPNBFFQRCRRBJ-UHFFFAOYSA-N 1 0 301.365 2.279 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1)OCO2 ZINC000237958075 526336911 /nfs/dbraw/zinc/33/69/11/526336911.db2.gz YESLVUXIWXKFFD-CQSZACIVSA-N 1 0 305.305 2.083 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187139287 526771266 /nfs/dbraw/zinc/77/12/66/526771266.db2.gz HHOFPIMDTQASFC-CYBMUJFWSA-N 1 0 304.390 2.046 20 10 DECDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180276618 527468351 /nfs/dbraw/zinc/46/83/51/527468351.db2.gz ODLUAIZFHJZUOW-BLLLJJGKSA-N 1 0 319.380 2.210 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196216 536861099 /nfs/dbraw/zinc/86/10/99/536861099.db2.gz QRLGDSGFMWYXGQ-OCCSQVGLSA-N 1 0 322.361 2.452 20 10 DECDRO C[C@@H]1OCC[C@H]1[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835055683 649872995 /nfs/dbraw/zinc/87/29/95/649872995.db2.gz XLVKTDFAUPHBKP-PUBSZHEZSA-N 1 0 304.434 2.238 20 10 DECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC(=O)N1 ZINC000835060073 649873985 /nfs/dbraw/zinc/87/39/85/649873985.db2.gz AABJHXAULYNZFU-GOSISDBHSA-N 1 0 301.434 2.435 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1F ZINC000835072726 649875285 /nfs/dbraw/zinc/87/52/85/649875285.db2.gz IPVQDMKQISBLFL-DZGCQCFKSA-N 1 0 305.397 2.135 20 10 DECDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000186588279 625402021 /nfs/dbraw/zinc/40/20/21/625402021.db2.gz DYWHRJDJWIAINY-YOEHRIQHSA-N 1 0 309.406 2.057 20 10 DECDRO CC(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000120565098 622935274 /nfs/dbraw/zinc/93/52/74/622935274.db2.gz CMKKEKIYIMYRDQ-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000840831864 623241939 /nfs/dbraw/zinc/24/19/39/623241939.db2.gz JJBOCZGRNUPMMY-GJZGRUSLSA-N 1 0 301.434 2.464 20 10 DECDRO COc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(O)c1OC ZINC000891723193 624560265 /nfs/dbraw/zinc/56/02/65/624560265.db2.gz JSTKOWHQHNXGEE-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(O)c1OC ZINC000891821338 624615701 /nfs/dbraw/zinc/61/57/01/624615701.db2.gz APYXNRLMMMNBRH-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO Cc1cc(N)nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000892025089 624749274 /nfs/dbraw/zinc/74/92/74/624749274.db2.gz LZSNETUYYCSJCO-CYBMUJFWSA-N 1 0 313.405 2.377 20 10 DECDRO COc1ccc(CN2CC[NH+](C3CCC3)CC2)c(O)c1OC ZINC000892040230 624756248 /nfs/dbraw/zinc/75/62/48/624756248.db2.gz YVSQPOXDUPTUBI-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO CCC1(CO)CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892096870 624779439 /nfs/dbraw/zinc/77/94/39/624779439.db2.gz RAXZFTWGDOWDAQ-UHFFFAOYSA-N 1 0 309.406 2.394 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1O ZINC000892189540 624832884 /nfs/dbraw/zinc/83/28/84/624832884.db2.gz YISBUAFCLFZPMH-IGQOVBAYSA-N 1 0 303.406 2.141 20 10 DECDRO CCOc1cccc(C[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000725849179 625094332 /nfs/dbraw/zinc/09/43/32/625094332.db2.gz UUQKFKHZTSHSFM-UHFFFAOYSA-N 1 0 315.373 2.304 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CC[NH2+]CC1 ZINC000314510575 625120381 /nfs/dbraw/zinc/12/03/81/625120381.db2.gz WBDRPEXYEYNFHE-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1OC ZINC000892554002 625144858 /nfs/dbraw/zinc/14/48/58/625144858.db2.gz VLNMWEWUVPKXPS-UHFFFAOYSA-N 1 0 317.389 2.160 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1 ZINC000314217652 625772289 /nfs/dbraw/zinc/77/22/89/625772289.db2.gz ULLNKNCXCKEALP-UHFFFAOYSA-N 1 0 312.479 2.446 20 10 DECDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000733800360 633287093 /nfs/dbraw/zinc/28/70/93/633287093.db2.gz NOEZQXGRSUNMDL-KRWDZBQOSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000734666285 633412806 /nfs/dbraw/zinc/41/28/06/633412806.db2.gz YEWATGASYOWMOU-AWEZNQCLSA-N 1 0 306.454 2.200 20 10 DECDRO COC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921596060 633742965 /nfs/dbraw/zinc/74/29/65/633742965.db2.gz JRRCNDWHVOTXHZ-UHFFFAOYSA-N 1 0 304.390 2.332 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000186466758 635186328 /nfs/dbraw/zinc/18/63/28/635186328.db2.gz FQDLFKOOXGTIRL-RYUDHWBXSA-N 1 0 308.378 2.282 20 10 DECDRO c1cc2c(cc1C[NH2+][C@H]1CCO[C@]3(CCOC3)C1)CCCO2 ZINC000921963164 635769479 /nfs/dbraw/zinc/76/94/79/635769479.db2.gz ZVQWIOJCTCTLJA-FUHWJXTLSA-N 1 0 303.402 2.439 20 10 DECDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000227681081 635786625 /nfs/dbraw/zinc/78/66/25/635786625.db2.gz INDFBEGJXICYAZ-JTQLQIEISA-N 1 0 324.377 2.124 20 10 DECDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921985014 635787716 /nfs/dbraw/zinc/78/77/16/635787716.db2.gz NEVQWPLOBCHOLP-OAHLLOKOSA-N 1 0 309.431 2.069 20 10 DECDRO CSCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)N(C)C ZINC000922131531 635885431 /nfs/dbraw/zinc/88/54/31/635885431.db2.gz NKPUZSWMBFGXLM-HNNXBMFYSA-N 1 0 322.474 2.311 20 10 DECDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]2CCCCN12 ZINC000922171900 635964598 /nfs/dbraw/zinc/96/45/98/635964598.db2.gz KWFDFSAFIGTZHX-HOTGVXAUSA-N 1 0 300.402 2.255 20 10 DECDRO Cn1cnnc1C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893959648 636076456 /nfs/dbraw/zinc/07/64/56/636076456.db2.gz NJHSMEQKONUVKY-UHFFFAOYSA-N 1 0 308.332 2.179 20 10 DECDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894095914 636111419 /nfs/dbraw/zinc/11/14/19/636111419.db2.gz SIRNLKMMKVTSDT-LLVKDONJSA-N 1 0 308.332 2.174 20 10 DECDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000922419047 636167889 /nfs/dbraw/zinc/16/78/89/636167889.db2.gz GIUVSQKHKGNZFQ-UHFFFAOYSA-N 1 0 323.458 2.315 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000894206395 636426619 /nfs/dbraw/zinc/42/66/19/636426619.db2.gz FYCQWZGBNJBSTG-UHFFFAOYSA-N 1 0 315.373 2.223 20 10 DECDRO COc1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)c(O)c1OC ZINC000894282859 636682586 /nfs/dbraw/zinc/68/25/86/636682586.db2.gz AAQVBYDRBBBVGQ-GFCCVEGCSA-N 1 0 309.406 2.392 20 10 DECDRO CC[C@@H](CCO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894289494 636709806 /nfs/dbraw/zinc/70/98/06/636709806.db2.gz NUDXREMPRNFLMS-LBPRGKRZSA-N 1 0 322.380 2.355 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000922950720 636880054 /nfs/dbraw/zinc/88/00/54/636880054.db2.gz ORTRSVZVMNVFSI-INIZCTEOSA-N 1 0 320.433 2.134 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(O)c1 ZINC000895004169 637365160 /nfs/dbraw/zinc/36/51/60/637365160.db2.gz LNJPRCLNKQEPJB-SJORKVTESA-N 1 0 310.397 2.402 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895006238 637368419 /nfs/dbraw/zinc/36/84/19/637368419.db2.gz ZWZCTPWEESQQPH-SJORKVTESA-N 1 0 310.397 2.402 20 10 DECDRO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895151993 637676215 /nfs/dbraw/zinc/67/62/15/637676215.db2.gz XERAHZPCZNAENE-SFHVURJKSA-N 1 0 318.461 2.385 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000840889446 650371665 /nfs/dbraw/zinc/37/16/65/650371665.db2.gz GJYFZDWQQYYBSC-CYBMUJFWSA-N 1 0 309.431 2.184 20 10 DECDRO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000839499475 637897727 /nfs/dbraw/zinc/89/77/27/637897727.db2.gz VVPCZBNWJAPGRG-GJZGRUSLSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1C ZINC000895341586 637946544 /nfs/dbraw/zinc/94/65/44/637946544.db2.gz IZNFKWIAAXUTMA-MRXNPFEDSA-N 1 0 317.433 2.389 20 10 DECDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(N(C)C)n2)c(Cl)c1 ZINC000840936965 650388791 /nfs/dbraw/zinc/38/87/91/650388791.db2.gz OZUGZGLBXMNSJA-UHFFFAOYSA-N 1 0 306.797 2.500 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840939419 650390177 /nfs/dbraw/zinc/39/01/77/650390177.db2.gz MQPCPRBJLLCBRC-KRWDZBQOSA-N 1 0 308.422 2.119 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2CCO)c(Cl)c1 ZINC000840950499 650393716 /nfs/dbraw/zinc/39/37/16/650393716.db2.gz JRHCLVSOHVPINX-CYBMUJFWSA-N 1 0 312.841 2.290 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(O)c1 ZINC000841893465 638214761 /nfs/dbraw/zinc/21/47/61/638214761.db2.gz FQTACOAHMMBZSP-GFCCVEGCSA-N 1 0 300.349 2.220 20 10 DECDRO COc1cc(Br)cc(CNC[C@H]([NH3+])C(C)C)c1O ZINC000841031237 650409286 /nfs/dbraw/zinc/40/92/86/650409286.db2.gz ZISHVVGDLUQMRK-NSHDSACASA-N 1 0 317.227 2.236 20 10 DECDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841028825 650408140 /nfs/dbraw/zinc/40/81/40/650408140.db2.gz IGRUGFIEVLRXMP-UHFFFAOYSA-N 1 0 318.248 2.084 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc3ccccn23)cc1 ZINC000841042358 650411650 /nfs/dbraw/zinc/41/16/50/650411650.db2.gz IWCXJULKTYEDLD-KRWDZBQOSA-N 1 0 309.417 2.190 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044002 650412683 /nfs/dbraw/zinc/41/26/83/650412683.db2.gz SPHHQWJSFATYLG-MRXNPFEDSA-N 1 0 315.417 2.256 20 10 DECDRO COC[C@@]1(CNC/C=C/c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841067908 650421029 /nfs/dbraw/zinc/42/10/29/650421029.db2.gz QMCBIMPSDNJPEN-JXTAAOLFSA-N 1 0 303.450 2.124 20 10 DECDRO COCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]CC1 ZINC000841067956 650421098 /nfs/dbraw/zinc/42/10/98/650421098.db2.gz IAKHAIZWBUCSNI-UHFFFAOYSA-N 1 0 316.804 2.291 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000841099631 650430663 /nfs/dbraw/zinc/43/06/63/650430663.db2.gz UISRJXMBFXRYMX-SFHVURJKSA-N 1 0 305.466 2.391 20 10 DECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000896960200 639094729 /nfs/dbraw/zinc/09/47/29/639094729.db2.gz KQFDIPNRFPGKEJ-JTQLQIEISA-N 1 0 313.781 2.439 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897227136 639260786 /nfs/dbraw/zinc/26/07/86/639260786.db2.gz BPLWSLILPWOOIL-AWEZNQCLSA-N 1 0 310.825 2.389 20 10 DECDRO COc1cc(N2CC[NH+](C[C@@H]3C[C@@H]3C)CC2)cc(OC)c1OC ZINC000754151444 639394251 /nfs/dbraw/zinc/39/42/51/639394251.db2.gz ZLDTVAKYOVYAOU-KBPBESRZSA-N 1 0 320.433 2.490 20 10 DECDRO Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(O)c1O ZINC000841466482 650500242 /nfs/dbraw/zinc/50/02/42/650500242.db2.gz CYMGAFCANNOCDA-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000897345720 639527183 /nfs/dbraw/zinc/52/71/83/639527183.db2.gz NKWYMNPCLIDRSH-HNNXBMFYSA-N 1 0 307.413 2.286 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480766 639665208 /nfs/dbraw/zinc/66/52/08/639665208.db2.gz ZOLLUTVZJFBVDS-BDAKNGLRSA-N 1 0 320.311 2.118 20 10 DECDRO COc1cc(C[N@H+](C)[C@H]2CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000758406308 639956699 /nfs/dbraw/zinc/95/66/99/639956699.db2.gz DJQHQSLCXHKXSK-AWEZNQCLSA-N 1 0 306.406 2.019 20 10 DECDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000758557444 639972789 /nfs/dbraw/zinc/97/27/89/639972789.db2.gz AZFZDISIQLQBIU-KRWDZBQOSA-N 1 0 324.424 2.486 20 10 DECDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000758581464 639975882 /nfs/dbraw/zinc/97/58/82/639975882.db2.gz YBBYDNMRZJVTFK-CQSZACIVSA-N 1 0 310.413 2.161 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000841718803 650550613 /nfs/dbraw/zinc/55/06/13/650550613.db2.gz BREPTVJUFKBLSD-UHFFFAOYSA-N 1 0 318.465 2.413 20 10 DECDRO C[N@H+](CCNC(=O)NCCCSc1nccs1)C1CC1 ZINC000759580449 640087674 /nfs/dbraw/zinc/08/76/74/640087674.db2.gz OFUSGNZZNAHKLX-UHFFFAOYSA-N 1 0 314.480 2.019 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000841720662 650551474 /nfs/dbraw/zinc/55/14/74/650551474.db2.gz YNMOTSOTFJUTQR-UHFFFAOYSA-N 1 0 318.465 2.332 20 10 DECDRO C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000841761739 650558706 /nfs/dbraw/zinc/55/87/06/650558706.db2.gz SDHXIAVMSUGEEJ-TZMCWYRMSA-N 1 0 322.428 2.079 20 10 DECDRO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000841753972 650558026 /nfs/dbraw/zinc/55/80/26/650558026.db2.gz GXNQUQSAKNRZOG-OAHLLOKOSA-N 1 0 318.465 2.231 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CSC)C2)cc1C ZINC000987967104 640323720 /nfs/dbraw/zinc/32/37/20/640323720.db2.gz CNWIPDODZLZNMA-DZGCQCFKSA-N 1 0 322.474 2.446 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841824206 650570923 /nfs/dbraw/zinc/57/09/23/650570923.db2.gz NNMJBFDZQSELLB-ZFWWWQNUSA-N 1 0 304.438 2.001 20 10 DECDRO C[C@@H]1[NH2+]CCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000841856401 650581407 /nfs/dbraw/zinc/58/14/07/650581407.db2.gz JETHIAZYXNSTCN-QWRGUYRKSA-N 1 0 314.480 2.017 20 10 DECDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCSc1nccs1 ZINC000841855524 650581509 /nfs/dbraw/zinc/58/15/09/650581509.db2.gz AQCVIUBKYAJEBN-QWRGUYRKSA-N 1 0 314.480 2.004 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)NCCCSc1nccs1 ZINC000841856053 650581524 /nfs/dbraw/zinc/58/15/24/650581524.db2.gz FUKWYQIFEWNPNY-UHFFFAOYSA-N 1 0 316.496 2.442 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841856954 650582207 /nfs/dbraw/zinc/58/22/07/650582207.db2.gz MCMSQUMHMSOEHD-QWRGUYRKSA-N 1 0 314.480 2.004 20 10 DECDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cccc(Cl)c1O ZINC000897524318 640547288 /nfs/dbraw/zinc/54/72/88/640547288.db2.gz VDYBMCJTLYVVOG-NSHDSACASA-N 1 0 311.813 2.329 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)cc1 ZINC000763621715 640556201 /nfs/dbraw/zinc/55/62/01/640556201.db2.gz HDNKTLWDOFGNAG-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000841882142 650592095 /nfs/dbraw/zinc/59/20/95/650592095.db2.gz WPOPLIUVDNKHHB-YSVLISHTSA-N 1 0 316.449 2.207 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841882198 650592128 /nfs/dbraw/zinc/59/21/28/650592128.db2.gz XLJLPBHAFJBEOB-XEZPLFJOSA-N 1 0 304.438 2.192 20 10 DECDRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841884226 650593598 /nfs/dbraw/zinc/59/35/98/650593598.db2.gz YYQUNEWVLDPSIA-GJZGRUSLSA-N 1 0 318.465 2.455 20 10 DECDRO C[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882972 650592394 /nfs/dbraw/zinc/59/23/94/650592394.db2.gz QBGQWLROJJDXEU-XJKSGUPXSA-N 1 0 304.438 2.336 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH2+]C1CC1 ZINC000841930579 650605179 /nfs/dbraw/zinc/60/51/79/650605179.db2.gz UVIDBHQBAYAQSE-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841940976 650607259 /nfs/dbraw/zinc/60/72/59/650607259.db2.gz JKFYJGKWWWSCJD-MRXNPFEDSA-N 1 0 318.465 2.425 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)c3nncn3C)CC2)cc1 ZINC000765749186 640815135 /nfs/dbraw/zinc/81/51/35/640815135.db2.gz TVODRSHWDCDYJF-CYBMUJFWSA-N 1 0 315.421 2.143 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)ccc1OC ZINC000765799521 640820377 /nfs/dbraw/zinc/82/03/77/640820377.db2.gz YIZAEGXHKGAUHN-CVEARBPZSA-N 1 0 320.433 2.236 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CC(=O)OC)CCOC2)cc1 ZINC000766467398 640884761 /nfs/dbraw/zinc/88/47/61/640884761.db2.gz JBVMEJPRXMITIF-GOSISDBHSA-N 1 0 320.433 2.345 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841976767 650618072 /nfs/dbraw/zinc/61/80/72/650618072.db2.gz NYBDKPDKRCDGSA-PBHICJAKSA-N 1 0 318.465 2.282 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000897984995 640995161 /nfs/dbraw/zinc/99/51/61/640995161.db2.gz JARIFTWJZGSCKH-LBPRGKRZSA-N 1 0 319.336 2.139 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000842009008 650627248 /nfs/dbraw/zinc/62/72/48/650627248.db2.gz YWYBNXZWAXSYBT-ZIAGYGMSSA-N 1 0 306.454 2.410 20 10 DECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(C)cc1O)CC2 ZINC000768444479 641082526 /nfs/dbraw/zinc/08/25/26/641082526.db2.gz BSEUYWNGHGQRJL-CQSZACIVSA-N 1 0 319.401 2.484 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)[C@@H](O)CO2 ZINC000768465227 641084906 /nfs/dbraw/zinc/08/49/06/641084906.db2.gz DDZWNFNJVQTIMR-INIZCTEOSA-N 1 0 319.401 2.211 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466274 641086163 /nfs/dbraw/zinc/08/61/63/641086163.db2.gz XKHNRCNMFPCEOR-DYVFJYSZSA-N 1 0 319.401 2.067 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)c(O)c1 ZINC000768840561 641132408 /nfs/dbraw/zinc/13/24/08/641132408.db2.gz FZBSJZOWUMEOKC-CYBMUJFWSA-N 1 0 305.374 2.325 20 10 DECDRO C[NH+](C)Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000768900373 641141444 /nfs/dbraw/zinc/14/14/44/641141444.db2.gz HMVTXBXQAVHBOF-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC000769205036 641193302 /nfs/dbraw/zinc/19/33/02/641193302.db2.gz CLWOVSXICIHHKM-GOSISDBHSA-N 1 0 313.445 2.484 20 10 DECDRO CC[N@H+](CCCO)Cc1cc(Br)cc(OC)c1O ZINC000769482821 641249300 /nfs/dbraw/zinc/24/93/00/641249300.db2.gz JCAVZQKLGUJBKS-UHFFFAOYSA-N 1 0 318.211 2.368 20 10 DECDRO CC1(C)CCC[N@H+](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000769705743 641277648 /nfs/dbraw/zinc/27/76/48/641277648.db2.gz PAOMQBWHOVDGBM-ALCCZGGFSA-N 1 0 318.417 2.349 20 10 DECDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058089 641499922 /nfs/dbraw/zinc/49/99/22/641499922.db2.gz PQXJCZMUNHPBLG-LSDHHAIUSA-N 1 0 307.413 2.022 20 10 DECDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000842224652 650673021 /nfs/dbraw/zinc/67/30/21/650673021.db2.gz DNOXIPKNTDWDKA-WBVHZDCISA-N 1 0 312.429 2.283 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)CC2 ZINC000927103801 641628915 /nfs/dbraw/zinc/62/89/15/641628915.db2.gz SQLDHDMKQIMSJY-JKSUJKDBSA-N 1 0 302.418 2.222 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898388403 641644502 /nfs/dbraw/zinc/64/45/02/641644502.db2.gz SXANNHSMVCLUAY-MSOLQXFVSA-N 1 0 302.418 2.038 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H]2CCCOC2)N(C)C)cc1 ZINC000898449451 641661217 /nfs/dbraw/zinc/66/12/17/641661217.db2.gz GEMQQZLVFSKMRO-CRAIPNDOSA-N 1 0 305.466 2.372 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1O ZINC000898462159 641668349 /nfs/dbraw/zinc/66/83/49/641668349.db2.gz NFYNRTPOSNQKMI-WMLDXEAASA-N 1 0 304.390 2.000 20 10 DECDRO Oc1ccccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723943 641765435 /nfs/dbraw/zinc/76/54/35/641765435.db2.gz KNAOEPWNLUMFKV-NSHDSACASA-N 1 0 322.206 2.456 20 10 DECDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1 ZINC000773806061 641825656 /nfs/dbraw/zinc/82/56/56/641825656.db2.gz UPRVMVNDGWYOKA-KRWDZBQOSA-N 1 0 303.450 2.443 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000773887065 641836885 /nfs/dbraw/zinc/83/68/85/641836885.db2.gz ABQWYHILLBVEJD-XIRDDKMYSA-N 1 0 301.434 2.229 20 10 DECDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774482579 641908766 /nfs/dbraw/zinc/90/87/66/641908766.db2.gz LWFYRSREPNRODO-OLZOCXBDSA-N 1 0 320.437 2.026 20 10 DECDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899101666 641934473 /nfs/dbraw/zinc/93/44/73/641934473.db2.gz KJKMBIQSJHPEMX-RHSMWYFYSA-N 1 0 318.465 2.407 20 10 DECDRO C[C@@H]1CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098197 641940316 /nfs/dbraw/zinc/94/03/16/641940316.db2.gz LZVVCAXNQNZNET-CJNGLKHVSA-N 1 0 304.438 2.159 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCF)[NH+](C)C)cc1 ZINC000899101193 641942949 /nfs/dbraw/zinc/94/29/49/641942949.db2.gz GEXJGPRUBAAXBB-OAHLLOKOSA-N 1 0 310.417 2.014 20 10 DECDRO COc1c([O-])c(C[NH2+]CCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000774958385 641987077 /nfs/dbraw/zinc/98/70/77/641987077.db2.gz XSDMVHISTSINOR-UHFFFAOYSA-N 1 0 323.393 2.275 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCC[C@H]2C)c1 ZINC000775370874 642036225 /nfs/dbraw/zinc/03/62/25/642036225.db2.gz JNZBTMNITZXADR-OLZOCXBDSA-N 1 0 306.406 2.452 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000775503619 642053043 /nfs/dbraw/zinc/05/30/43/642053043.db2.gz KXBPHOAFAATVAI-UKRRQHHQSA-N 1 0 311.857 2.332 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000775679144 642077690 /nfs/dbraw/zinc/07/76/90/642077690.db2.gz OHLPAQIXBBJFPQ-INIZCTEOSA-N 1 0 303.450 2.049 20 10 DECDRO CS[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1[NH+]1CCCC1 ZINC000776215794 642145552 /nfs/dbraw/zinc/14/55/52/642145552.db2.gz KCIMTHMACLSGDQ-DGCLKSJQSA-N 1 0 312.460 2.106 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000776251460 642149552 /nfs/dbraw/zinc/14/95/52/642149552.db2.gz YUIPXPUOKGGTEP-CQSZACIVSA-N 1 0 307.390 2.219 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771743 642206309 /nfs/dbraw/zinc/20/63/09/642206309.db2.gz JBJDVQWEWJKZOB-DOTOQJQBSA-N 1 0 319.401 2.209 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nnc(C4CC4)o3)cc2)CC1 ZINC000777505729 642273808 /nfs/dbraw/zinc/27/38/08/642273808.db2.gz YLIKQNCLDWGXJG-UHFFFAOYSA-N 1 0 313.405 2.311 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000779023875 642456854 /nfs/dbraw/zinc/45/68/54/642456854.db2.gz JJFAUEUSNDDDEN-CQSZACIVSA-N 1 0 324.490 2.364 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000779208266 642472670 /nfs/dbraw/zinc/47/26/70/642472670.db2.gz GRZYXCJCVLYGMK-UHFFFAOYSA-N 1 0 301.333 2.383 20 10 DECDRO CN(CCC[NH+](C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000901327655 642624925 /nfs/dbraw/zinc/62/49/25/642624925.db2.gz SDIMHDFLJVKRKB-UHFFFAOYSA-N 1 0 308.403 2.336 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000842614710 650781712 /nfs/dbraw/zinc/78/17/12/650781712.db2.gz BZWKROUIHGHHPU-CQSZACIVSA-N 1 0 314.389 2.186 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@H]3CCOC3)CC2)cc1F ZINC000783577013 643022320 /nfs/dbraw/zinc/02/23/20/643022320.db2.gz WLLQSHNYULGICF-AWEZNQCLSA-N 1 0 308.397 2.383 20 10 DECDRO C[C@@H]([NH2+]CCCON)c1ccc(N2CCOCC2)cc1Cl ZINC000902419256 643033639 /nfs/dbraw/zinc/03/36/39/643033639.db2.gz RAMGRDUEWIOYIG-GFCCVEGCSA-N 1 0 313.829 2.108 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)[C@H](O)CO2 ZINC000783969119 643073508 /nfs/dbraw/zinc/07/35/08/643073508.db2.gz SZOVDDWHMOBTKE-SJORKVTESA-N 1 0 319.401 2.209 20 10 DECDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H](C)O1 ZINC000783969435 643074808 /nfs/dbraw/zinc/07/48/08/643074808.db2.gz VAHYHIPJKCAQID-TZMCWYRMSA-N 1 0 302.374 2.176 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000842773608 650823435 /nfs/dbraw/zinc/82/34/35/650823435.db2.gz BYAIALLWIRBSAI-KCJUWKMLSA-N 1 0 316.195 2.430 20 10 DECDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)CO ZINC000903448596 643354793 /nfs/dbraw/zinc/35/47/93/643354793.db2.gz QRLCEHQVHSNJMI-RHSMWYFYSA-N 1 0 307.482 2.352 20 10 DECDRO CN(C)c1ccc([C@H](CN[C@H]2CCn3ccnc32)[NH+](C)C)cc1 ZINC000903449148 643355350 /nfs/dbraw/zinc/35/53/50/643355350.db2.gz VSJAYPNXHOZCNR-IRXDYDNUSA-N 1 0 313.449 2.286 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000903448819 643355699 /nfs/dbraw/zinc/35/56/99/643355699.db2.gz TZMRMTGUIJIPHU-KDOFPFPSSA-N 1 0 315.465 2.440 20 10 DECDRO COC1(OC)CC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448778 643355732 /nfs/dbraw/zinc/35/57/32/643355732.db2.gz SLIWETMHHAMBNP-SJORKVTESA-N 1 0 321.465 2.096 20 10 DECDRO C[C@@H](CCCCO)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903449361 643355865 /nfs/dbraw/zinc/35/58/65/643355865.db2.gz YAGRRMZZBNKBFN-MAUKXSAKSA-N 1 0 307.482 2.496 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000786943876 643431906 /nfs/dbraw/zinc/43/19/06/643431906.db2.gz BEKSXBDDBSPYBU-BXKDBHETSA-N 1 0 313.394 2.104 20 10 DECDRO COc1ccc(N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903732585 643442833 /nfs/dbraw/zinc/44/28/33/643442833.db2.gz GNIJAEVKPURSTK-CQSZACIVSA-N 1 0 308.397 2.429 20 10 DECDRO Cc1cccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1O ZINC000787288861 643477199 /nfs/dbraw/zinc/47/71/99/643477199.db2.gz OHCKLJCGVJHJOS-INIZCTEOSA-N 1 0 317.433 2.278 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787375759 643488651 /nfs/dbraw/zinc/48/86/51/643488651.db2.gz FYUXYTWWBVOABA-QGZVFWFLSA-N 1 0 301.434 2.304 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCO1 ZINC000789777527 643775037 /nfs/dbraw/zinc/77/50/37/643775037.db2.gz WMMQCUSCIZVFDZ-OLZOCXBDSA-N 1 0 315.797 2.338 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000790930385 643909906 /nfs/dbraw/zinc/90/99/06/643909906.db2.gz LPBZKODIFZNDGL-ZDUSSCGKSA-N 1 0 307.390 2.171 20 10 DECDRO [NH3+][C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccccc1 ZINC000843113800 650898164 /nfs/dbraw/zinc/89/81/64/650898164.db2.gz DOTNODDWRLKVDC-LSDHHAIUSA-N 1 0 312.369 2.048 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)[C@H](O)CO2 ZINC000793740932 644294987 /nfs/dbraw/zinc/29/49/87/644294987.db2.gz GYZIYHVQCBKOOU-WMLDXEAASA-N 1 0 319.401 2.067 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000794892478 644488649 /nfs/dbraw/zinc/48/86/49/644488649.db2.gz VHGSVGCYVFXDNN-KDOFPFPSSA-N 1 0 321.417 2.479 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000794929566 644494747 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Cn1c(CN2CCCc3cc(C[NH3+])ccc32)nnc1C1CCC1 ZINC000843352069 650954803 /nfs/dbraw/zinc/95/48/03/650954803.db2.gz QFUNSWWFULADCR-UHFFFAOYSA-N 1 0 311.433 2.494 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnc2n1CCCCC2 ZINC000843350946 650954901 /nfs/dbraw/zinc/95/49/01/650954901.db2.gz YMOOSVMCZTURTD-UHFFFAOYSA-N 1 0 311.433 2.416 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843343861 650953496 /nfs/dbraw/zinc/95/34/96/650953496.db2.gz IJTUOKOJBFXUMY-LBPRGKRZSA-N 1 0 314.385 2.488 20 10 DECDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843431663 650974018 /nfs/dbraw/zinc/97/40/18/650974018.db2.gz AZASWORYCFUOTJ-CQSZACIVSA-N 1 0 316.323 2.201 20 10 DECDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000843508252 650986955 /nfs/dbraw/zinc/98/69/55/650986955.db2.gz UBSLJFMXDPNGRP-CPUCHLNUSA-N 1 0 319.449 2.011 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC000843507685 650987135 /nfs/dbraw/zinc/98/71/35/650987135.db2.gz QWNMCVHNCKVHMD-XJKSGUPXSA-N 1 0 319.449 2.011 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CC(C)(C)O)c1O ZINC000111385827 645666239 /nfs/dbraw/zinc/66/62/39/645666239.db2.gz ZJEHSUDPBHTMFB-UHFFFAOYSA-N 1 0 304.184 2.024 20 10 DECDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(=O)C(C)=O)cc1 ZINC000808520571 646100202 /nfs/dbraw/zinc/10/02/02/646100202.db2.gz UOKUBIJZKHBFIJ-UHFFFAOYSA-N 1 0 305.374 2.233 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000808674046 646125212 /nfs/dbraw/zinc/12/52/12/646125212.db2.gz MTURCCGKAPEFLJ-GHMZBOCLSA-N 1 0 317.838 2.439 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690193 646605094 /nfs/dbraw/zinc/60/50/94/646605094.db2.gz SPWJZRXKEWHSQA-NSHDSACASA-N 1 0 310.394 2.404 20 10 DECDRO COCCOC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000812834923 646702976 /nfs/dbraw/zinc/70/29/76/646702976.db2.gz HZVVOHWWODVROZ-OAHLLOKOSA-N 1 0 322.449 2.305 20 10 DECDRO Cc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1N(C)C ZINC000815008062 646956206 /nfs/dbraw/zinc/95/62/06/646956206.db2.gz MJWSWLVKIPUQPT-SFHVURJKSA-N 1 0 317.477 2.358 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1N(C)C ZINC000815110570 646971181 /nfs/dbraw/zinc/97/11/81/646971181.db2.gz XHMCFLOWIKRQKL-MRXNPFEDSA-N 1 0 324.490 2.460 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)ccc2ccccc21 ZINC000816493022 647141977 /nfs/dbraw/zinc/14/19/77/647141977.db2.gz MJTFMGYKKBVYPD-KRWDZBQOSA-N 1 0 312.413 2.452 20 10 DECDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816516824 647145446 /nfs/dbraw/zinc/14/54/46/647145446.db2.gz SDVNZESEPBVXHM-UHFFFAOYSA-N 1 0 321.380 2.197 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)[C@H]1CN(C)CCO1 ZINC000816557534 647151677 /nfs/dbraw/zinc/15/16/77/647151677.db2.gz UQDCAHZYLMZTBL-CXAGYDPISA-N 1 0 300.402 2.354 20 10 DECDRO COCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000816626084 647160297 /nfs/dbraw/zinc/16/02/97/647160297.db2.gz UTYWDUHRZQEMFM-UHFFFAOYSA-N 1 0 315.797 2.339 20 10 DECDRO OC1(CCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000817413891 647288864 /nfs/dbraw/zinc/28/88/64/647288864.db2.gz CZIWRJZYKRHVQO-UHFFFAOYSA-N 1 0 322.424 2.447 20 10 DECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000817414350 647289178 /nfs/dbraw/zinc/28/91/78/647289178.db2.gz HZXCGTAUOGAWOL-SKDRFNHKSA-N 1 0 300.196 2.500 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000817419931 647291105 /nfs/dbraw/zinc/29/11/05/647291105.db2.gz MRAHWEYEYOSTPF-CYBMUJFWSA-N 1 0 309.406 2.465 20 10 DECDRO CON1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000817585257 647322548 /nfs/dbraw/zinc/32/25/48/647322548.db2.gz DMRFZKBNWCNVCL-OAHLLOKOSA-N 1 0 319.449 2.200 20 10 DECDRO Cc1c(Cl)c(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000817864704 647368710 /nfs/dbraw/zinc/36/87/10/647368710.db2.gz PHJKHMCJAZJZCC-AWEZNQCLSA-N 1 0 321.856 2.238 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817887869 647371556 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C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819121677 647587124 /nfs/dbraw/zinc/58/71/24/647587124.db2.gz YBUNBALSILCRAK-VXGBXAGGSA-N 1 0 300.349 2.227 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)Cc1ccccc1O ZINC000917581552 648016010 /nfs/dbraw/zinc/01/60/10/648016010.db2.gz JTVRFYLYSFGGGC-AWEZNQCLSA-N 1 0 307.463 2.183 20 10 DECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154478906 648023167 /nfs/dbraw/zinc/02/31/67/648023167.db2.gz BHFGSBPXLLLCFW-KRWDZBQOSA-N 1 0 322.424 2.398 20 10 DECDRO O=C1CC[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000821392512 648051693 /nfs/dbraw/zinc/05/16/93/648051693.db2.gz ZZHMPOGYCJRQEJ-LSDHHAIUSA-N 1 0 305.374 2.079 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCCCSc2nccs2)CC1 ZINC000921447970 648318732 /nfs/dbraw/zinc/31/87/32/648318732.db2.gz ZEZBIMZUCRUEHB-UHFFFAOYSA-N 1 0 314.480 2.019 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000824576173 648614411 /nfs/dbraw/zinc/61/44/11/648614411.db2.gz CDZQSFWAQTTWDJ-AWEZNQCLSA-N 1 0 308.378 2.063 20 10 DECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824637490 648628477 /nfs/dbraw/zinc/62/84/77/648628477.db2.gz XLVVVLCTUOMIBZ-DOTOQJQBSA-N 1 0 322.424 2.255 20 10 DECDRO OC[C@H]([C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CC1)C1CC1 ZINC000824845136 648661016 /nfs/dbraw/zinc/66/10/16/648661016.db2.gz IFAOYOZOCUUERU-SUMWQHHRSA-N 1 0 305.374 2.008 20 10 DECDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(OC)c(OC)cc1O ZINC000825005456 648683737 /nfs/dbraw/zinc/68/37/37/648683737.db2.gz LJWCQRAMZMDTFN-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124595 648707343 /nfs/dbraw/zinc/70/73/43/648707343.db2.gz SZDWWJDMVNFVLW-TVQRCGJNSA-N 1 0 305.296 2.146 20 10 DECDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCO1 ZINC000825325352 648742061 /nfs/dbraw/zinc/74/20/61/648742061.db2.gz BJLQBVGDNHLYPQ-RDJZCZTQSA-N 1 0 313.401 2.365 20 10 DECDRO COc1cccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1O ZINC000825915998 648825797 /nfs/dbraw/zinc/82/57/97/648825797.db2.gz GSNRBEKPYGDAEG-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO COC[C@](C)(O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000826030195 648840768 /nfs/dbraw/zinc/84/07/68/648840768.db2.gz RYVFPPFQVZIWOA-CYBMUJFWSA-N 1 0 318.211 2.032 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)c1 ZINC000182329649 648875239 /nfs/dbraw/zinc/87/52/39/648875239.db2.gz XJSOCGUXLAYKMZ-NSHDSACASA-N 1 0 318.417 2.356 20 10 DECDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826569928 648880806 /nfs/dbraw/zinc/88/08/06/648880806.db2.gz UQVDDMSXRUCXOI-LBPRGKRZSA-N 1 0 322.380 2.041 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000826999913 648959135 /nfs/dbraw/zinc/95/91/35/648959135.db2.gz DLYGWDIPUNVVMN-CWIOURORSA-N 1 0 315.417 2.292 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000827152354 648982906 /nfs/dbraw/zinc/98/29/06/648982906.db2.gz SLPCQBDDMKDFEA-INIZCTEOSA-N 1 0 322.361 2.046 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544604 649049320 /nfs/dbraw/zinc/04/93/20/649049320.db2.gz GDPVOSLGJJHZFQ-HNNXBMFYSA-N 1 0 305.422 2.142 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000827661971 649063371 /nfs/dbraw/zinc/06/33/71/649063371.db2.gz JFDXLACUPXLJAR-GOSISDBHSA-N 1 0 302.418 2.430 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]1(C)CO ZINC000827700633 649070768 /nfs/dbraw/zinc/07/07/68/649070768.db2.gz WAYVNDVNUBHQDN-KBXCAEBGSA-N 1 0 322.424 2.113 20 10 DECDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000071950747 649244225 /nfs/dbraw/zinc/24/42/25/649244225.db2.gz SNTUCYNJXCOTHM-AWEZNQCLSA-N 1 0 303.450 2.441 20 10 DECDRO CN1CCCc2cc(CNC(=O)NCCCCCC[NH3+])ccc21 ZINC000831123274 649540924 /nfs/dbraw/zinc/54/09/24/649540924.db2.gz LKRCDIUCUKERJM-UHFFFAOYSA-N 1 0 318.465 2.387 20 10 DECDRO Nc1ccc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000831390388 649584065 /nfs/dbraw/zinc/58/40/65/649584065.db2.gz XTFHQIGPZSRQRR-UHFFFAOYSA-N 1 0 301.434 2.288 20 10 DECDRO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)cn1 ZINC000834602023 649822209 /nfs/dbraw/zinc/82/22/09/649822209.db2.gz HMWDMOMTYMCKCB-GDBMZVCRSA-N 1 0 312.417 2.372 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844314264 651110525 /nfs/dbraw/zinc/11/05/25/651110525.db2.gz YXBQNOMXKCALHJ-ZWNOBZJWSA-N 1 0 306.362 2.035 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCn2cc(C)cn2)cc1 ZINC000844400241 651122807 /nfs/dbraw/zinc/12/28/07/651122807.db2.gz YBFQPTMAJFIKEA-UHFFFAOYSA-N 1 0 302.422 2.268 20 10 DECDRO COCCN1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846142973 651310704 /nfs/dbraw/zinc/31/07/04/651310704.db2.gz GSUATTWGEJPHCZ-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1O ZINC000846148263 651310932 /nfs/dbraw/zinc/31/09/32/651310932.db2.gz YXLMATGCWDQQSX-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000846172368 651312921 /nfs/dbraw/zinc/31/29/21/651312921.db2.gz LPRIDGXNZIHPAW-YPMHNXCESA-N 1 0 306.406 2.451 20 10 DECDRO C/C(=C/c1ccccn1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394064 651455727 /nfs/dbraw/zinc/45/57/27/651455727.db2.gz MODNXKMAJMKJLM-FFWXCITRSA-N 1 0 324.428 2.367 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498403 651464046 /nfs/dbraw/zinc/46/40/46/651464046.db2.gz SCBLLJWPKFGMST-RHSMWYFYSA-N 1 0 319.401 2.352 20 10 DECDRO COc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1C ZINC000848526373 651466901 /nfs/dbraw/zinc/46/69/01/651466901.db2.gz YCEIDTLLJPBYCZ-KRWDZBQOSA-N 1 0 304.434 2.347 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000848555610 651470046 /nfs/dbraw/zinc/47/00/46/651470046.db2.gz UZQJWZXPYBCUJR-AVPPRXQKSA-N 1 0 316.195 2.337 20 10 DECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000848559304 651470620 /nfs/dbraw/zinc/47/06/20/651470620.db2.gz RYAKVEBQGPIFGZ-RNCFNFMXSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848556905 651470634 /nfs/dbraw/zinc/47/06/34/651470634.db2.gz DBMRNURJUGAWDL-TTZDDIAXSA-N 1 0 304.434 2.467 20 10 DECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000848565336 651472055 /nfs/dbraw/zinc/47/20/55/651472055.db2.gz JMQLDWLFNWEQPC-SNVBAGLBSA-N 1 0 309.362 2.188 20 10 DECDRO CCc1cccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000848902217 651553133 /nfs/dbraw/zinc/55/31/33/651553133.db2.gz BAFDYXNZVKGOFE-KRWDZBQOSA-N 1 0 309.406 2.137 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000855289843 651666067 /nfs/dbraw/zinc/66/60/67/651666067.db2.gz VSYXRKPUYXHESQ-VGVVRCBHSA-N 1 0 304.390 2.100 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855289844 651666617 /nfs/dbraw/zinc/66/66/17/651666617.db2.gz VSYXRKPUYXHESQ-VUDGCMKMSA-N 1 0 304.390 2.100 20 10 DECDRO COC[C@](C)(O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850133493 651837664 /nfs/dbraw/zinc/83/76/64/651837664.db2.gz GEKXMICRPOAGIM-QGZVFWFLSA-N 1 0 311.422 2.185 20 10 DECDRO CCN1C[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1=O ZINC000850315658 651896518 /nfs/dbraw/zinc/89/65/18/651896518.db2.gz IJYNYTOJEMWATP-ZDUSSCGKSA-N 1 0 320.433 2.409 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(=O)[nH]n3)C2)cc1 ZINC000850488761 651938065 /nfs/dbraw/zinc/93/80/65/651938065.db2.gz OLOBSNHSTGXOKM-CHWSQXEVSA-N 1 0 314.389 2.120 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000850489393 651938760 /nfs/dbraw/zinc/93/87/60/651938760.db2.gz SUOBTOBZMIVTBH-ZFWWWQNUSA-N 1 0 300.406 2.358 20 10 DECDRO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000851643042 652196114 /nfs/dbraw/zinc/19/61/14/652196114.db2.gz MCBBGTSKLVVHHT-QZTJIDSGSA-N 1 0 309.413 2.073 20 10 DECDRO COCCOC[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858146521 652264894 /nfs/dbraw/zinc/26/48/94/652264894.db2.gz ZQJYHCAKNFNHMK-SNVBAGLBSA-N 1 0 318.211 2.296 20 10 DECDRO COc1cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000858226319 652283531 /nfs/dbraw/zinc/28/35/31/652283531.db2.gz MKUKTDBHBIUEFI-CVEARBPZSA-N 1 0 323.433 2.328 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000858327447 652307510 /nfs/dbraw/zinc/30/75/10/652307510.db2.gz QZKJBUINRMECHD-DZGCQCFKSA-N 1 0 303.362 2.320 20 10 DECDRO CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000858434447 652335441 /nfs/dbraw/zinc/33/54/41/652335441.db2.gz HBVUPMKYYCTYCF-HZPDHXFCSA-N 1 0 302.422 2.260 20 10 DECDRO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434775 652335825 /nfs/dbraw/zinc/33/58/25/652335825.db2.gz PEWSIDWQQVQQFH-BLLLJJGKSA-N 1 0 315.417 2.389 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000388998461 685431048 /nfs/dbraw/zinc/43/10/48/685431048.db2.gz QGGGDKXLPGASOD-DOTOQJQBSA-N 1 0 304.434 2.428 20 10 DECDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000388353105 685427505 /nfs/dbraw/zinc/42/75/05/685427505.db2.gz PHHINOCFXVNCQQ-KBXCAEBGSA-N 1 0 304.434 2.426 20 10 DECDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1 ZINC000090882651 684033647 /nfs/dbraw/zinc/03/36/47/684033647.db2.gz JMJQGZYZBPWRGI-ZDUSSCGKSA-N 1 0 310.463 2.228 20 10 DECDRO CCOc1cccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000092100854 684040622 /nfs/dbraw/zinc/04/06/22/684040622.db2.gz BAXOUJDONRLAEX-CQSZACIVSA-N 1 0 306.406 2.091 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126728776 684156270 /nfs/dbraw/zinc/15/62/70/684156270.db2.gz RTUBTOSNTMXYER-UHFFFAOYSA-N 1 0 316.449 2.202 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861674983 686168334 /nfs/dbraw/zinc/16/83/34/686168334.db2.gz AVZPVKRBFCOIJE-LSDHHAIUSA-N 1 0 305.422 2.454 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686084 686169266 /nfs/dbraw/zinc/16/92/66/686169266.db2.gz MFZRKDVUONDNJE-HIFRSBDPSA-N 1 0 305.422 2.454 20 10 DECDRO CN(C)c1cc(F)c(CN2CCC[C@H]2C(=O)NC2CC2)cc1F ZINC000862223487 686258248 /nfs/dbraw/zinc/25/82/48/686258248.db2.gz QGNATOYBCBWNRD-HNNXBMFYSA-N 1 0 323.387 2.274 20 10 DECDRO CCOC(=O)C1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862327733 686276778 /nfs/dbraw/zinc/27/67/78/686276778.db2.gz GKOVQUKWZJYCNO-UHFFFAOYSA-N 1 0 312.360 2.464 20 10 DECDRO CN(C)c1cc(F)c(CN2CCC[C@H](n3ccnn3)C2)cc1F ZINC000862397989 686291949 /nfs/dbraw/zinc/29/19/49/686291949.db2.gz SMPFKYYIOBLJNT-ZDUSSCGKSA-N 1 0 321.375 2.459 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1C ZINC000862398980 686292093 /nfs/dbraw/zinc/29/20/93/686292093.db2.gz SXNFARUNUOVESG-ZYHUDNBSSA-N 1 0 312.360 2.272 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)CC1 ZINC000862418656 686297323 /nfs/dbraw/zinc/29/73/23/686297323.db2.gz QTHHZTQBVASSDK-UHFFFAOYSA-N 1 0 315.392 2.472 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000863543736 686518495 /nfs/dbraw/zinc/51/84/95/686518495.db2.gz XBBKQZRYDIVFII-XOKHGSTOSA-N 1 0 321.440 2.453 20 10 DECDRO C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000863544475 686519092 /nfs/dbraw/zinc/51/90/92/686519092.db2.gz VEXFSJJAFPAMDQ-SNVBAGLBSA-N 1 0 306.328 2.298 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N2CCCCC2)cc1 ZINC000863545520 686519198 /nfs/dbraw/zinc/51/91/98/686519198.db2.gz ULLCTAURAIYNRO-NVXWUHKLSA-N 1 0 303.450 2.316 20 10 DECDRO COc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863645705 686538940 /nfs/dbraw/zinc/53/89/40/686538940.db2.gz KVFNSTWJULFRKW-YPMHNXCESA-N 1 0 318.339 2.360 20 10 DECDRO CC[C@H]1CCN(C(=[NH2+])NCc2ccc(N3CCOCC3)cc2)C1 ZINC000864453263 686725564 /nfs/dbraw/zinc/72/55/64/686725564.db2.gz TXBRBJNEWHAWAR-HNNXBMFYSA-N 1 0 316.449 2.279 20 10 DECDRO COc1ccc(O)c(C[NH2+]C2CCC(CNC(C)=O)CC2)c1 ZINC000865463125 687222268 /nfs/dbraw/zinc/22/22/68/687222268.db2.gz HLBXOTMHZPUYSE-UHFFFAOYSA-N 1 0 306.406 2.185 20 10 DECDRO C[C@@](CO)([NH2+]Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000865705324 687307567 /nfs/dbraw/zinc/30/75/67/687307567.db2.gz NVJXKILBXKFUJI-INIZCTEOSA-N 1 0 302.330 2.298 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CC[N@@H+]1C ZINC000865903394 687373698 /nfs/dbraw/zinc/37/36/98/687373698.db2.gz BDZMHUXRQOVUAK-DLBZAZTESA-N 1 0 303.450 2.408 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000868209980 687947984 /nfs/dbraw/zinc/94/79/84/687947984.db2.gz IUNVFMBDNIXPAU-YUELXQCFSA-N 1 0 303.406 2.379 20 10 DECDRO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1=CC[N@H+](C)CC1 ZINC000868489188 688032922 /nfs/dbraw/zinc/03/29/22/688032922.db2.gz RSAIOBJFVSYBLI-OLZOCXBDSA-N 1 0 303.406 2.403 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC000870875716 688674956 /nfs/dbraw/zinc/67/49/56/688674956.db2.gz IVNDORKZCFFDCR-KOMQPUFPSA-N 1 0 301.434 2.203 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)ccc21 ZINC000872199875 688950149 /nfs/dbraw/zinc/95/01/49/688950149.db2.gz SENWCPWVQMAGNV-HKUYNNGSSA-N 1 0 318.461 2.071 20 10 DECDRO CC[C@@H](CCO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873058404 689150400 /nfs/dbraw/zinc/15/04/00/689150400.db2.gz FJBAWAYTGUNCLR-INIZCTEOSA-N 1 0 303.406 2.191 20 10 DECDRO CC[C@@H]1COCCN1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000873189082 689179103 /nfs/dbraw/zinc/17/91/03/689179103.db2.gz NTGAIPJYMDVFPP-DUMMIQTOSA-N 1 0 317.477 2.466 20 10 DECDRO CCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873228636 689189648 /nfs/dbraw/zinc/18/96/48/689189648.db2.gz VCROOELIMHVLTA-VXGBXAGGSA-N 1 0 318.339 2.360 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000874047951 689346572 /nfs/dbraw/zinc/34/65/72/689346572.db2.gz FJNWFGCIULUTOS-UHFFFAOYSA-N 1 0 319.449 2.171 20 10 DECDRO CN1CCCc2cc(CNC(=O)C3(C[NH+](C)C)CC3)ccc21 ZINC000874250880 689377445 /nfs/dbraw/zinc/37/74/45/689377445.db2.gz ALIKPGZLAVNFBN-UHFFFAOYSA-N 1 0 301.434 2.027 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1O ZINC000875094108 689570961 /nfs/dbraw/zinc/57/09/61/689570961.db2.gz YBINRKISBVKZTL-IHRRRGAJSA-N 1 0 303.406 2.379 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(F)F)CCC2)cc1 ZINC000876506809 689842070 /nfs/dbraw/zinc/84/20/70/689842070.db2.gz ORCPSHCYEMVAJK-CYBMUJFWSA-N 1 0 311.376 2.304 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000876522104 689846357 /nfs/dbraw/zinc/84/63/57/689846357.db2.gz HUEWISQHZIGFCN-UHFFFAOYSA-N 1 0 311.385 2.054 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3c(C)cccc3O)CC2)no1 ZINC000876548314 689853256 /nfs/dbraw/zinc/85/32/56/689853256.db2.gz CBPJUZQTJXNKCO-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO Cc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)c(O)c1 ZINC000876722381 689915408 /nfs/dbraw/zinc/91/54/08/689915408.db2.gz TUVRQDHENRDPBL-UHFFFAOYSA-N 1 0 307.312 2.074 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000876740861 689923095 /nfs/dbraw/zinc/92/30/95/689923095.db2.gz GLEBOMUVCSGTQH-QGZVFWFLSA-N 1 0 315.417 2.380 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCOCC34CCC4)cc2)CC1 ZINC000876749559 689925903 /nfs/dbraw/zinc/92/59/03/689925903.db2.gz MEZLHZNUZWYHCG-UHFFFAOYSA-N 1 0 316.445 2.403 20 10 DECDRO CCC1(O)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876763811 689929220 /nfs/dbraw/zinc/92/92/20/689929220.db2.gz IQHXMDHSAGSLLB-UHFFFAOYSA-N 1 0 318.461 2.385 20 10 DECDRO Cc1cccc(O)c1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000876778517 689934917 /nfs/dbraw/zinc/93/49/17/689934917.db2.gz HFQFZGNXDATDAS-UHFFFAOYSA-N 1 0 306.450 2.491 20 10 DECDRO Cc1ccc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)c(O)c1 ZINC000876865349 689958283 /nfs/dbraw/zinc/95/82/83/689958283.db2.gz YBOQJPAAJVVRDQ-UHFFFAOYSA-N 1 0 313.401 2.473 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876873692 689961015 /nfs/dbraw/zinc/96/10/15/689961015.db2.gz OCIKTGYFDODXMG-JKSUJKDBSA-N 1 0 303.450 2.475 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCc3cccnc3)cc2)CC1 ZINC000876923011 689973624 /nfs/dbraw/zinc/97/36/24/689973624.db2.gz OWKZWXCNUZJHLN-UHFFFAOYSA-N 1 0 311.429 2.375 20 10 DECDRO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877525250 690140729 /nfs/dbraw/zinc/14/07/29/690140729.db2.gz WTIQUPSRQHWYIW-UHFFFAOYSA-N 1 0 317.477 2.175 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000877532028 690143316 /nfs/dbraw/zinc/14/33/16/690143316.db2.gz BKZHWGRTUQYDIH-FRRDWIJNSA-N 1 0 306.406 2.499 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CN2CCC1CC2 ZINC000877706413 690197912 /nfs/dbraw/zinc/19/79/12/690197912.db2.gz LEGGTZZBGPMVMD-IBGZPJMESA-N 1 0 315.461 2.049 20 10 DECDRO COCC(C)(C)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708352 690198535 /nfs/dbraw/zinc/19/85/35/690198535.db2.gz JJGQCWQTYFIVTE-UHFFFAOYSA-N 1 0 322.449 2.498 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000877729407 690207273 /nfs/dbraw/zinc/20/72/73/690207273.db2.gz RRGQKRBLYFLJHR-HNNXBMFYSA-N 1 0 307.390 2.076 20 10 DECDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749244 690214530 /nfs/dbraw/zinc/21/45/30/690214530.db2.gz VHWAWSCPYNYWCC-MSOLQXFVSA-N 1 0 306.450 2.241 20 10 DECDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877751838 690215828 /nfs/dbraw/zinc/21/58/28/690215828.db2.gz LJDQVQPFAISDCS-GOSISDBHSA-N 1 0 318.461 2.241 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1O ZINC000880129750 690809026 /nfs/dbraw/zinc/80/90/26/690809026.db2.gz AIEZMPPJDNQSQT-HOTGVXAUSA-N 1 0 306.381 2.402 20 10 DECDRO C[NH2+]Cc1cn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000880982151 691008289 /nfs/dbraw/zinc/00/82/89/691008289.db2.gz JZQMTFJHGITURP-UHFFFAOYSA-N 1 0 323.400 2.288 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cccc4n[nH]nc43)cc2)CC1 ZINC000883133599 691436416 /nfs/dbraw/zinc/43/64/16/691436416.db2.gz DBRKBRXJWUWBJG-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO CON(C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000883172718 691447831 /nfs/dbraw/zinc/44/78/31/691447831.db2.gz QEQDMTCEARWKNK-UHFFFAOYSA-N 1 0 322.409 2.168 20 10 DECDRO Cc1cnccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283723 691471735 /nfs/dbraw/zinc/47/17/35/691471735.db2.gz QHOBGVCXEPDBKR-UHFFFAOYSA-N 1 0 310.445 2.432 20 10 DECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000883353674 691486751 /nfs/dbraw/zinc/48/67/51/691486751.db2.gz AGDISCVECQDHET-GDBMZVCRSA-N 1 0 321.440 2.407 20 10 DECDRO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000883374660 691492675 /nfs/dbraw/zinc/49/26/75/691492675.db2.gz KURDTOAYGIDGKA-GMOBBJLQSA-N 1 0 313.394 2.245 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1O ZINC000883375541 691493227 /nfs/dbraw/zinc/49/32/27/691493227.db2.gz RKIGCURUTCLYDL-FBIMIBRVSA-N 1 0 303.811 2.272 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000883895340 691611795 /nfs/dbraw/zinc/61/17/95/691611795.db2.gz VYULEYJXDKZZAY-CQSZACIVSA-N 1 0 317.433 2.164 20 10 DECDRO Cc1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc[nH+]1 ZINC000884693453 691785071 /nfs/dbraw/zinc/78/50/71/691785071.db2.gz ABEFLEBOEPONGT-UHFFFAOYSA-N 1 0 324.428 2.126 20 10 DECDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001044879467 691901587 /nfs/dbraw/zinc/90/15/87/691901587.db2.gz PDMYWIVHEOAJKY-BXUZGUMPSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)cc1 ZINC000885935623 691966225 /nfs/dbraw/zinc/96/62/25/691966225.db2.gz ONUDNWAPQQSUMJ-YJBOKZPZSA-N 1 0 302.418 2.244 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1O ZINC000886239003 692033557 /nfs/dbraw/zinc/03/35/57/692033557.db2.gz NPPFSMXVLHBENQ-OAHLLOKOSA-N 1 0 305.349 2.233 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886241037 692034179 /nfs/dbraw/zinc/03/41/79/692034179.db2.gz MVFDARCJVDKSSO-XGWQRUHWSA-N 1 0 306.450 2.287 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000886341404 692061581 /nfs/dbraw/zinc/06/15/81/692061581.db2.gz UQXNNPTVPHTXPN-WZTLGTBRSA-N 1 0 321.417 2.463 20 10 DECDRO C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CN1CC[NH+](C)CC1 ZINC000886522268 692100783 /nfs/dbraw/zinc/10/07/83/692100783.db2.gz GFFSPFVFDLDVMX-KBPBESRZSA-N 1 0 309.429 2.065 20 10 DECDRO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1c([O-])cccc1F ZINC000886524208 692101055 /nfs/dbraw/zinc/10/10/55/692101055.db2.gz FYGSJFVCLVPOQH-CQSZACIVSA-N 1 0 309.429 2.210 20 10 DECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO[C@H]1C ZINC000924710268 693175698 /nfs/dbraw/zinc/17/56/98/693175698.db2.gz JNPNKWVJNFOLJU-XEZPLFJOSA-N 1 0 308.397 2.175 20 10 DECDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924755849 693181256 /nfs/dbraw/zinc/18/12/56/693181256.db2.gz XNPWVKGLQUIQCL-HUUCEWRRSA-N 1 0 304.434 2.284 20 10 DECDRO CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001052527101 693559318 /nfs/dbraw/zinc/55/93/18/693559318.db2.gz RMLTXAABBOARNJ-AWEZNQCLSA-N 1 0 321.421 2.093 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335329733 1150397287 /nfs/dbraw/zinc/39/72/87/1150397287.db2.gz NSRLFMUYBUUGIL-GOSISDBHSA-N 1 0 318.417 2.051 20 10 DECDRO C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC001335913553 1150560053 /nfs/dbraw/zinc/56/00/53/1150560053.db2.gz ZQZZOSBHPIDPOZ-WMLDXEAASA-N 1 0 318.465 2.412 20 10 DECDRO C[NH2+]CCCCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001343721763 1150766991 /nfs/dbraw/zinc/76/69/91/1150766991.db2.gz JTAFNBINDLPCPS-HNNXBMFYSA-N 1 0 319.449 2.027 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OC)CC2)cc1 ZINC001343899329 1150782482 /nfs/dbraw/zinc/78/24/82/1150782482.db2.gz YLZKVLNGWRPUEK-UHFFFAOYSA-N 1 0 305.422 2.417 20 10 DECDRO COc1nc(Cl)c(C[NH2+]Cc2ccc(OC)cc2O)n1C ZINC001344382543 1150819899 /nfs/dbraw/zinc/81/98/99/1150819899.db2.gz YWUSZXUXFITNNX-UHFFFAOYSA-N 1 0 311.769 2.086 20 10 DECDRO CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC001350478810 1151361971 /nfs/dbraw/zinc/36/19/71/1151361971.db2.gz CFUAJCZXIOEGRR-CQSZACIVSA-N 1 0 322.428 2.127 20 10 DECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136605143 790396185 /nfs/dbraw/zinc/39/61/85/790396185.db2.gz GQECGMPKHABSBZ-LLVKDONJSA-N 1 0 305.382 2.309 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccnc4nc[nH]c43)cc2)CC1 ZINC001167434121 777033487 /nfs/dbraw/zinc/03/34/87/777033487.db2.gz CNVUZAJXNIRLHB-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C[NH+](C)C ZINC000588406989 777084187 /nfs/dbraw/zinc/08/41/87/777084187.db2.gz FENNWGQFGYUEKV-ZVTBTPLYSA-N 1 0 306.406 2.204 20 10 DECDRO CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(O)c(C)c2O)C(C)C)C1 ZINC001140747591 777740680 /nfs/dbraw/zinc/74/06/80/777740680.db2.gz GELANTWWKHULCE-HNNXBMFYSA-N 1 0 306.406 2.237 20 10 DECDRO C[NH+](C)/C=C/c1ccncc1NCCc1cc(O)c(O)cc1O ZINC001168017189 779358039 /nfs/dbraw/zinc/35/80/39/779358039.db2.gz RMHRONRMBXQDNY-VMPITWQZSA-N 1 0 315.373 2.385 20 10 DECDRO COc1ccc2c(c1)C[C@@H]([NH2+]CC(=O)c1ccc(O)c(O)c1)C2 ZINC001168242449 780489046 /nfs/dbraw/zinc/48/90/46/780489046.db2.gz ZNPMDKMEBMCICB-AWEZNQCLSA-N 1 0 313.353 2.046 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(F)ccc3C2)cc1O ZINC001168399135 781793074 /nfs/dbraw/zinc/79/30/74/781793074.db2.gz XQRWSYPMVBREKV-MAUKXSAKSA-N 1 0 317.360 2.417 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001144500099 790934071 /nfs/dbraw/zinc/93/40/71/790934071.db2.gz OWYUWFQUXKQORB-CYBMUJFWSA-N 1 0 321.295 2.083 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001144509022 790940166 /nfs/dbraw/zinc/94/01/66/790940166.db2.gz HWKBVRIGCAUJGR-CQSZACIVSA-N 1 0 301.342 2.457 20 10 DECDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495485 783493110 /nfs/dbraw/zinc/49/31/10/783493110.db2.gz JUBBVZKPOCDICU-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCO[C@H]2C)cc1C ZINC001169239325 785107594 /nfs/dbraw/zinc/10/75/94/785107594.db2.gz VONPCVHBFRUCMZ-GOEBONIOSA-N 1 0 320.433 2.025 20 10 DECDRO CC1(C)[C@H]([NH2+]Cc2ccc(Br)cc2O)C[C@@H]1O ZINC000691429794 785357308 /nfs/dbraw/zinc/35/73/08/785357308.db2.gz XLPSEQCFNLPLME-NEPJUHHUSA-N 1 0 300.196 2.404 20 10 DECDRO CC[S@](=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691464744 785901794 /nfs/dbraw/zinc/90/17/94/785901794.db2.gz GCAVOLWJDVGZDA-INIZCTEOSA-N 1 0 306.225 2.013 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CCC2)[NH+](C)C)cc1 ZINC001333807336 1150093677 /nfs/dbraw/zinc/09/36/77/1150093677.db2.gz IDLSXBZOYCHTDV-MRXNPFEDSA-N 1 0 304.438 2.207 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CSc3ccccc3C2)cc1O ZINC001172193693 793375715 /nfs/dbraw/zinc/37/57/15/793375715.db2.gz NLYWWZRIUPGSNM-XJKSGUPXSA-N 1 0 317.410 2.438 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCOC1 ZINC001116910502 794999103 /nfs/dbraw/zinc/99/91/03/794999103.db2.gz CYSSNCUEOHNNTF-GDBMZVCRSA-N 1 0 321.440 2.092 20 10 DECDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2F)CC1 ZINC001119450425 795303477 /nfs/dbraw/zinc/30/34/77/795303477.db2.gz IEAHDWUGOXKOFK-HNNXBMFYSA-N 1 0 309.404 2.369 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)c1O ZINC001119510685 795315050 /nfs/dbraw/zinc/31/50/50/795315050.db2.gz XTIJPOAPOAXTFU-ZDUSSCGKSA-N 1 0 320.433 2.447 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(O)cccc2Br)C1 ZINC001206423707 795331941 /nfs/dbraw/zinc/33/19/41/795331941.db2.gz LOMUKPKWBSKEEZ-DTWKUNHWSA-N 1 0 303.175 2.026 20 10 DECDRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(O)c1OC ZINC001119937501 795375490 /nfs/dbraw/zinc/37/54/90/795375490.db2.gz UXMNSOAQLBZTNI-ODOQXGPZSA-N 1 0 307.390 2.002 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c(O)c1 ZINC001180997778 795402641 /nfs/dbraw/zinc/40/26/41/795402641.db2.gz YQLOZSHJOOSQCK-OAHLLOKOSA-N 1 0 306.406 2.056 20 10 DECDRO Nc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC001120549435 795482759 /nfs/dbraw/zinc/48/27/59/795482759.db2.gz NRLDRMSWTIOHHB-QZTJIDSGSA-N 1 0 324.428 2.214 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001120598868 795495182 /nfs/dbraw/zinc/49/51/82/795495182.db2.gz GMZKOOXEBWRJGL-GJZGRUSLSA-N 1 0 318.465 2.187 20 10 DECDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001183085175 795797806 /nfs/dbraw/zinc/79/78/06/795797806.db2.gz WINOWAHUPWOGTB-CYBMUJFWSA-N 1 0 314.376 2.213 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccoc2C)cc1C ZINC001123289569 795886259 /nfs/dbraw/zinc/88/62/59/795886259.db2.gz LLBCJPLZPHOGIE-UHFFFAOYSA-N 1 0 302.374 2.425 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)OCC2CC2)cc1C ZINC001124479285 796069417 /nfs/dbraw/zinc/06/94/17/796069417.db2.gz KFKOUWXQDOLZAC-AWEZNQCLSA-N 1 0 320.433 2.025 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336239 796198667 /nfs/dbraw/zinc/19/86/67/796198667.db2.gz MZBGIOJWCOOPBO-AWEZNQCLSA-N 1 0 316.445 2.295 20 10 DECDRO Oc1c(C[N@@H+]2CCCOCC2)cc2c3c1CCCN3CCC2 ZINC001138337571 796198727 /nfs/dbraw/zinc/19/87/27/796198727.db2.gz AMWIRKWAYNKDRZ-UHFFFAOYSA-N 1 0 302.418 2.313 20 10 DECDRO CN1CCCc2cc(CN3CCC[C@@H](S(C)(=O)=O)C3)ccc21 ZINC001138356520 796204474 /nfs/dbraw/zinc/20/44/74/796204474.db2.gz PYTZLGYUEKCROL-MRXNPFEDSA-N 1 0 322.474 2.078 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC001138392302 796211828 /nfs/dbraw/zinc/21/18/28/796211828.db2.gz UVMJCFKXOZHTJZ-MRXNPFEDSA-N 1 0 319.449 2.252 20 10 DECDRO CC[N@H+](C)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500015 796228411 /nfs/dbraw/zinc/22/84/11/796228411.db2.gz RIAUOJYBFYYTBQ-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(CN2CC3(C2)CCCOC3)cc(C[NH+](C)C)c1O ZINC001139254664 796350170 /nfs/dbraw/zinc/35/01/70/796350170.db2.gz KUUYZVFFXLEPIA-UHFFFAOYSA-N 1 0 320.433 2.075 20 10 DECDRO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412018 796372193 /nfs/dbraw/zinc/37/21/93/796372193.db2.gz BHDJQPAYKYHRFU-SFHVURJKSA-N 1 0 315.461 2.239 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)ccc1N(C)C ZINC001139671476 796407986 /nfs/dbraw/zinc/40/79/86/796407986.db2.gz WPQCHTQOWJIZQJ-BPQIPLTHSA-N 1 0 304.434 2.033 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccc1N(C)C ZINC001139673505 796408288 /nfs/dbraw/zinc/40/82/88/796408288.db2.gz SGSSCJMSQZLAJH-QGZVFWFLSA-N 1 0 303.406 2.135 20 10 DECDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC001140062735 796472120 /nfs/dbraw/zinc/47/21/20/796472120.db2.gz FRCUBMSHERZARG-AGGWBTHJSA-N 1 0 322.380 2.486 20 10 DECDRO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140098647 796477312 /nfs/dbraw/zinc/47/73/12/796477312.db2.gz JMZZZRGSDSHNSQ-WCQYABFASA-N 1 0 318.186 2.450 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCC(=O)C[C@H]3C)cc2)CC1 ZINC001140302496 796503561 /nfs/dbraw/zinc/50/35/61/796503561.db2.gz SBOYKFVDCZPZFF-MRXNPFEDSA-N 1 0 315.461 2.382 20 10 DECDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140585450 796541983 /nfs/dbraw/zinc/54/19/83/796541983.db2.gz IZOLORVWSWOSMV-NSHDSACASA-N 1 0 307.300 2.114 20 10 DECDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660077 796551001 /nfs/dbraw/zinc/55/10/01/796551001.db2.gz FCOAAAHMCCFXFE-INIZCTEOSA-N 1 0 308.397 2.273 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001140660048 796551313 /nfs/dbraw/zinc/55/13/13/796551313.db2.gz DJAGVGRYYHZEQB-UHFFFAOYSA-N 1 0 320.408 2.275 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@]1(C)O ZINC001140660183 796551956 /nfs/dbraw/zinc/55/19/56/796551956.db2.gz IRNPMZHBQLUERO-RDTXWAMCSA-N 1 0 322.424 2.255 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)CC1(C)COC1 ZINC001140661359 796552623 /nfs/dbraw/zinc/55/26/23/796552623.db2.gz BOPFYBMMODSOIL-UHFFFAOYSA-N 1 0 308.397 2.131 20 10 DECDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140745612 796566707 /nfs/dbraw/zinc/56/67/07/796566707.db2.gz MPPIRHAFDBPXEW-GOSISDBHSA-N 1 0 318.417 2.383 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC001141026629 796620168 /nfs/dbraw/zinc/62/01/68/796620168.db2.gz XQJKTQIBUQBOAM-UHFFFAOYSA-N 1 0 308.422 2.183 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032193 796621956 /nfs/dbraw/zinc/62/19/56/796621956.db2.gz VFSSBLJRCKNJNW-SJCJKPOMSA-N 1 0 309.406 2.392 20 10 DECDRO CN1CCOc2cc(C[NH+]3CCC4(CCC(=O)O4)CC3)ccc21 ZINC001141143825 796638982 /nfs/dbraw/zinc/63/89/82/796638982.db2.gz LNXYHVYXCQLRNR-UHFFFAOYSA-N 1 0 316.401 2.187 20 10 DECDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141163100 796643748 /nfs/dbraw/zinc/64/37/48/796643748.db2.gz PBFCULJYGPAFQY-OAHLLOKOSA-N 1 0 300.358 2.455 20 10 DECDRO Oc1cc2c(cc1O)CN(c1ccc3c(n1)CC[NH2+]C3)CCC2 ZINC001155933162 797883796 /nfs/dbraw/zinc/88/37/96/797883796.db2.gz NWCVGVNUNGBPIM-UHFFFAOYSA-N 1 0 311.385 2.091 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccoc2)cc1C ZINC001157005638 798126744 /nfs/dbraw/zinc/12/67/44/798126744.db2.gz LOAOWFMLLQOLMV-UHFFFAOYSA-N 1 0 316.401 2.435 20 10 DECDRO CCN(C)c1cc(C)[nH+]c(NCCc2cc(O)c(O)cc2O)n1 ZINC001157239502 798168597 /nfs/dbraw/zinc/16/85/97/798168597.db2.gz FSTLJGNOXGVQHW-UHFFFAOYSA-N 1 0 318.377 2.013 20 10 DECDRO Oc1cc(O)c(CCNc2cc(-n3ccnc3)cc[nH+]2)cc1O ZINC001157244958 798169108 /nfs/dbraw/zinc/16/91/08/798169108.db2.gz BWHOXEWPAWHNJE-UHFFFAOYSA-N 1 0 312.329 2.039 20 10 DECDRO Cc1cc(N2CCCC2)nc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001158994708 798500922 /nfs/dbraw/zinc/50/09/22/798500922.db2.gz SPDVJNYUISPXHC-UHFFFAOYSA-N 1 0 300.362 2.409 20 10 DECDRO COCCn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC001199823779 798552486 /nfs/dbraw/zinc/55/24/86/798552486.db2.gz VRBCMFYPYLEAIT-UHFFFAOYSA-N 1 0 314.433 2.202 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(NC3=CCC[NH2+]C3)ccc(O)c21 ZINC001159783876 798607343 /nfs/dbraw/zinc/60/73/43/798607343.db2.gz MXGQYEDFOPSRIS-UHFFFAOYSA-N 1 0 320.348 2.457 20 10 DECDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001160463962 798691900 /nfs/dbraw/zinc/69/19/00/798691900.db2.gz RXXSWXJOQUHPAQ-QGZVFWFLSA-N 1 0 301.434 2.288 20 10 DECDRO Cc1cccc(N(C(=O)Cc2ccc(N)cc2)C2CC[NH2+]CC2)n1 ZINC001161302288 798823242 /nfs/dbraw/zinc/82/32/42/798823242.db2.gz JNJDEPCMORLAIT-UHFFFAOYSA-N 1 0 324.428 2.300 20 10 DECDRO Cc1cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)ccc1N(C)C ZINC000932770485 799928301 /nfs/dbraw/zinc/92/83/01/799928301.db2.gz MIULJLMBGPDERY-MRXNPFEDSA-N 1 0 317.433 2.381 20 10 DECDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203592939 800086066 /nfs/dbraw/zinc/08/60/66/800086066.db2.gz XHKJGEXAVHSGGQ-WMZOPIPTSA-N 1 0 321.417 2.418 20 10 DECDRO COc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001203620823 800091776 /nfs/dbraw/zinc/09/17/76/800091776.db2.gz JFUQHNXVSZMBFR-PWSUYJOCSA-N 1 0 305.296 2.003 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC001203636315 800096551 /nfs/dbraw/zinc/09/65/51/800096551.db2.gz UBRCVWJSZXTOBR-RNCFNFMXSA-N 1 0 300.196 2.357 20 10 DECDRO COc1ccc(O)c(CN2CC(N3CCC(F)(F)CC3)C2)c1 ZINC001203678657 800105140 /nfs/dbraw/zinc/10/51/40/800105140.db2.gz QDNAAWMVOPFUHO-UHFFFAOYSA-N 1 0 312.360 2.316 20 10 DECDRO Oc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c(O)c1 ZINC001204273772 800198176 /nfs/dbraw/zinc/19/81/76/800198176.db2.gz ULSWUFLSKNVXOV-CGTJXYLNSA-N 1 0 319.401 2.256 20 10 DECDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204276369 800199447 /nfs/dbraw/zinc/19/94/47/800199447.db2.gz LAMSQYMNDLTBJQ-SJCJKPOMSA-N 1 0 320.389 2.197 20 10 DECDRO COc1cc(C[N@H+](CCO)Cc2ccccc2)cc(O)c1O ZINC001204340087 800206400 /nfs/dbraw/zinc/20/64/00/800206400.db2.gz BLQCFJIYKUTEFA-UHFFFAOYSA-N 1 0 303.358 2.101 20 10 DECDRO COc1cc(C)c(C[N@H+](C)CC(=O)NCc2ccco2)c(O)c1 ZINC001204488404 800220011 /nfs/dbraw/zinc/22/00/11/800220011.db2.gz NBNZVBIFFJGKAX-UHFFFAOYSA-N 1 0 318.373 2.050 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001205411360 800355294 /nfs/dbraw/zinc/35/52/94/800355294.db2.gz BPJRZWMQFFGTIT-CYBMUJFWSA-N 1 0 305.296 2.208 20 10 DECDRO CN(C)c1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205681313 800400945 /nfs/dbraw/zinc/40/09/45/800400945.db2.gz HYQSQWZKYPLJIE-MRXNPFEDSA-N 1 0 311.857 2.082 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCN(C)C3)C2)cc1 ZINC001206384129 800522406 /nfs/dbraw/zinc/52/24/06/800522406.db2.gz CDIWAQAWXJUFMZ-HZPDHXFCSA-N 1 0 303.450 2.205 20 10 DECDRO CCOCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001207203119 800708830 /nfs/dbraw/zinc/70/88/30/800708830.db2.gz UCCSPBFWFYCKAE-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N2CCOCC2)cc1Cl ZINC001209887286 801301839 /nfs/dbraw/zinc/30/18/39/801301839.db2.gz VJVILMYIPVHYER-OKILXGFUSA-N 1 0 323.868 2.359 20 10 DECDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC001231548190 801685387 /nfs/dbraw/zinc/68/53/87/801685387.db2.gz PFSPOIVAWGHPBT-VIFPVBQESA-N 1 0 316.195 2.120 20 10 DECDRO Cc1cccc(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1O ZINC001231591600 801690977 /nfs/dbraw/zinc/69/09/77/801690977.db2.gz GIJQSRMGYJMCJO-OAHLLOKOSA-N 1 0 314.433 2.091 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c(O)c1 ZINC001231846141 801735897 /nfs/dbraw/zinc/73/58/97/801735897.db2.gz CAVSLXTYBWIEFN-UHFFFAOYSA-N 1 0 316.401 2.028 20 10 DECDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001231844506 801736008 /nfs/dbraw/zinc/73/60/08/801736008.db2.gz KNCIQHZBVOZLTE-IYBDPMFKSA-N 1 0 324.428 2.367 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001231854988 801738202 /nfs/dbraw/zinc/73/82/02/801738202.db2.gz NJHXRDPXEUPPGI-ZYGGUILKSA-N 1 0 302.418 2.370 20 10 DECDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231858475 801738699 /nfs/dbraw/zinc/73/86/99/801738699.db2.gz WNNKJROSUNYIOZ-CYBMUJFWSA-N 1 0 306.406 2.146 20 10 DECDRO CC(=O)N1CCC2(C[NH+](Cc3cc(Cl)c(C)cc3O)C2)C1 ZINC001231869725 801742716 /nfs/dbraw/zinc/74/27/16/801742716.db2.gz VIWLQRZUQWNEAP-UHFFFAOYSA-N 1 0 308.809 2.408 20 10 DECDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231880272 801743981 /nfs/dbraw/zinc/74/39/81/801743981.db2.gz AXZKPUNLSQOVNK-UHFFFAOYSA-N 1 0 323.352 2.305 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCCC[C@H]2CO)c2ccccc2n1C ZINC001232402132 801870774 /nfs/dbraw/zinc/87/07/74/801870774.db2.gz UJMWTIMCHCOVNR-ZDUSSCGKSA-N 1 0 316.401 2.312 20 10 DECDRO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232840851 801969185 /nfs/dbraw/zinc/96/91/85/801969185.db2.gz MFIDNWVLXHWVIY-CYBMUJFWSA-N 1 0 302.378 2.139 20 10 DECDRO CCOC(=O)c1c(CN2CC[NH+](C)CC2)c2ccccc2n1C ZINC001233270504 802060289 /nfs/dbraw/zinc/06/02/89/802060289.db2.gz PUUMDNVNHIVJPW-UHFFFAOYSA-N 1 0 315.417 2.102 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001233286043 802064858 /nfs/dbraw/zinc/06/48/58/802064858.db2.gz CCVUXJBMTLYWDF-OAHLLOKOSA-N 1 0 302.418 2.496 20 10 DECDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485437 802127656 /nfs/dbraw/zinc/12/76/56/802127656.db2.gz VVSROBPQSRZKHY-NSHDSACASA-N 1 0 323.389 2.357 20 10 DECDRO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1O ZINC001233487774 802128662 /nfs/dbraw/zinc/12/86/62/802128662.db2.gz RMMWDYXSAXQJLV-UONOGXRCSA-N 1 0 324.396 2.202 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000315644569 802479267 /nfs/dbraw/zinc/47/92/67/802479267.db2.gz RPBRXMIHJDXJTB-INIZCTEOSA-N 1 0 301.434 2.101 20 10 DECDRO Cc1cc(C)c(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c(O)c1 ZINC001220825299 802501694 /nfs/dbraw/zinc/50/16/94/802501694.db2.gz BJSBVYVKFRQIEW-KRWDZBQOSA-N 1 0 310.397 2.340 20 10 DECDRO Cc1cc(CN2CCOC3(C[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001222447365 802687029 /nfs/dbraw/zinc/68/70/29/802687029.db2.gz SUEUWHROFUAVKK-UHFFFAOYSA-N 1 0 311.429 2.268 20 10 DECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001331675539 1149595853 /nfs/dbraw/zinc/59/58/53/1149595853.db2.gz HZQZLJLNIUJJAR-IYBDPMFKSA-N 1 0 321.440 2.092 20 10 DECDRO C/C(=C/C(=O)N1CCCc2cc(CC[NH3+])ccc21)c1cnccn1 ZINC001574972433 1069317742 /nfs/dbraw/zinc/31/77/42/1069317742.db2.gz LXLCNLVGLXKIMF-KAMYIIQDSA-N 1 0 322.412 2.361 20 10 DECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001457531177 1057995953 /nfs/dbraw/zinc/99/59/53/1057995953.db2.gz CWLUQEODIBMWMB-HNNXBMFYSA-N 1 0 311.385 2.272 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1F ZINC001461257621 1058622350 /nfs/dbraw/zinc/62/23/50/1058622350.db2.gz ZOMPJFUBYHKGAE-QGZVFWFLSA-N 1 0 320.412 2.229 20 10 DECDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001461338526 1058639019 /nfs/dbraw/zinc/63/90/19/1058639019.db2.gz XJLSTNVROHWNGY-AWEZNQCLSA-N 1 0 310.463 2.200 20 10 DECDRO C[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1O ZINC001461732833 1058701003 /nfs/dbraw/zinc/70/10/03/1058701003.db2.gz YFBQMUBVFYWQJO-CYBMUJFWSA-N 1 0 309.373 2.278 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCc3c(cnn3C)C2)c(O)c1 ZINC001462339933 1058802507 /nfs/dbraw/zinc/80/25/07/1058802507.db2.gz MMEDNJFHYAPETJ-UHFFFAOYSA-N 1 0 301.390 2.391 20 10 DECDRO CCOCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505549805 1060699804 /nfs/dbraw/zinc/69/98/04/1060699804.db2.gz BSMWEWSKSPNFOJ-KGLIPLIRSA-N 1 0 308.422 2.023 20 10 DECDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474112136 1060818898 /nfs/dbraw/zinc/81/88/98/1060818898.db2.gz UTVFQKFBQGUTFG-SFHVURJKSA-N 1 0 324.424 2.459 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC001611939621 1078106592 /nfs/dbraw/zinc/10/65/92/1078106592.db2.gz HXGYVEIQPRPNIB-LLVKDONJSA-N 1 0 309.366 2.142 20 10 DECDRO CC(C)CN(C(=O)Cc1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001615921788 1078128595 /nfs/dbraw/zinc/12/85/95/1078128595.db2.gz SFTCWXHYIFEPAE-UHFFFAOYSA-N 1 0 320.433 2.219 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](O)C(C)C)cc1C ZINC001568628088 1065003950 /nfs/dbraw/zinc/00/39/50/1065003950.db2.gz WAEPVKCMKNTDRA-WMLDXEAASA-N 1 0 322.449 2.005 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCO2)cc1C ZINC001495613192 1065007037 /nfs/dbraw/zinc/00/70/37/1065007037.db2.gz RJSXPVHKINEMES-DYVFJYSZSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cn[nH]c2)cc1C ZINC001570453996 1066079966 /nfs/dbraw/zinc/07/99/66/1066079966.db2.gz NNJPMJKBLYRLQO-ZDUSSCGKSA-N 1 0 316.405 2.025 20 10 DECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC001577687756 1066905002 /nfs/dbraw/zinc/90/50/02/1066905002.db2.gz RVBLNULERNMXKM-CQSZACIVSA-N 1 0 306.454 2.231 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC001577939549 1066957345 /nfs/dbraw/zinc/95/73/45/1066957345.db2.gz KXNQWXRCCFVJGS-SJCJKPOMSA-N 1 0 311.422 2.402 20 10 DECDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC001580158807 1067512712 /nfs/dbraw/zinc/51/27/12/1067512712.db2.gz XAJLWTKUANSUNH-QFYYESIMSA-N 1 0 318.398 2.266 20 10 DECDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC001580158805 1067513095 /nfs/dbraw/zinc/51/30/95/1067513095.db2.gz XAJLWTKUANSUNH-HWPZZCPQSA-N 1 0 318.398 2.266 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001514533674 1068720416 /nfs/dbraw/zinc/72/04/16/1068720416.db2.gz ZHMUYRWGBFKCPU-DNVCBOLYSA-N 1 0 324.428 2.443 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C[N@@H+]2C1 ZINC001520742175 1069174595 /nfs/dbraw/zinc/17/45/95/1069174595.db2.gz YXCKJWSWDZMEPW-QGPMSJSTSA-N 1 0 315.461 2.489 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[NH2+]CCC23CCC3)c1 ZINC001521565678 1069253682 /nfs/dbraw/zinc/25/36/82/1069253682.db2.gz JNRMTPONZIYTRB-WFASDCNBSA-N 1 0 318.417 2.358 20 10 DECDRO O=C(CC[N@H+]1CC[C@H](F)C1)NCc1ccc(N2CCCC2)cc1 ZINC001540729062 1072426634 /nfs/dbraw/zinc/42/66/34/1072426634.db2.gz GQAJVHMYAUCALB-INIZCTEOSA-N 1 0 319.424 2.337 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001548671898 1072785658 /nfs/dbraw/zinc/78/56/58/1072785658.db2.gz SIBMHNFMAPVDGB-UMVBOHGHSA-N 1 0 318.417 2.137 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c1O ZINC001272625560 1079019718 /nfs/dbraw/zinc/01/97/18/1079019718.db2.gz MBMUJHDHBYHIFR-AWEZNQCLSA-N 1 0 318.417 2.139 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)C1(C2CC[NH2+]CC2)CC1 ZINC001580719049 1075982075 /nfs/dbraw/zinc/98/20/75/1075982075.db2.gz YCDVRBUZKRPWSZ-UHFFFAOYSA-N 1 0 308.809 2.442 20 10 DECDRO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001267831757 1079522241 /nfs/dbraw/zinc/52/22/41/1079522241.db2.gz TXIFYJOAKJUHLK-CYBMUJFWSA-N 1 0 317.393 2.357 20 10 DECDRO C[C@H](NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1O ZINC001651190438 1079794526 /nfs/dbraw/zinc/79/45/26/1079794526.db2.gz GMDXFLBFTXPITI-KBPBESRZSA-N 1 0 311.385 2.491 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Cl)cc2O)CCCOC1 ZINC001652251174 1079861149 /nfs/dbraw/zinc/86/11/49/1079861149.db2.gz JMBCUWGFRVKWCY-HNNXBMFYSA-N 1 0 313.781 2.248 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@]3(CCOC3=O)C2)cc1 ZINC001653268836 1079922490 /nfs/dbraw/zinc/92/24/90/1079922490.db2.gz BMBFVFJNKLSYHI-DDKKJVIOSA-N 1 0 300.402 2.405 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CCOC)C2)cc1 ZINC001655647227 1080009922 /nfs/dbraw/zinc/00/99/22/1080009922.db2.gz INDKBNCUUTZGFU-KRWDZBQOSA-N 1 0 305.466 2.343 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC001655657584 1080010614 /nfs/dbraw/zinc/01/06/14/1080010614.db2.gz RFAJEJVDNZBPFS-MRXNPFEDSA-N 1 0 310.413 2.423 20 10 DECDRO c1cnc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC001655717136 1080014278 /nfs/dbraw/zinc/01/42/78/1080014278.db2.gz YRXKEPXSSRSGTJ-KRWDZBQOSA-N 1 0 324.428 2.303 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC001656443490 1080092979 /nfs/dbraw/zinc/09/29/79/1080092979.db2.gz JSDNEJZZVBACKJ-GFCCVEGCSA-N 1 0 316.323 2.256 20 10 DECDRO CNC(=O)CC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001657405628 1080173082 /nfs/dbraw/zinc/17/30/82/1080173082.db2.gz ZKUYOPPZFABJRU-UHFFFAOYSA-N 1 0 306.406 2.057 20 10 DECDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001661472607 1080485035 /nfs/dbraw/zinc/48/50/35/1080485035.db2.gz BCEONVSTUPQQMJ-KRWDZBQOSA-N 1 0 301.434 2.386 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(F)F)cc1C ZINC001662147492 1080574255 /nfs/dbraw/zinc/57/42/55/1080574255.db2.gz XHTQAOZOYSOZMF-NSHDSACASA-N 1 0 300.349 2.253 20 10 DECDRO CC(C)c1ccc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC001665185383 1080998113 /nfs/dbraw/zinc/99/81/13/1080998113.db2.gz HJOFVQRGFIYPMV-KRWDZBQOSA-N 1 0 304.434 2.422 20 10 DECDRO CC[C@H](CNC(=O)[C@@H]1CCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665765920 1081078973 /nfs/dbraw/zinc/07/89/73/1081078973.db2.gz QJEKIVFYRAHVKA-HZPDHXFCSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccns2)cc1C ZINC001266941862 1082465671 /nfs/dbraw/zinc/46/56/71/1082465671.db2.gz FZDCFADITUDADA-GFCCVEGCSA-N 1 0 319.430 2.368 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccns2)cc1C ZINC001266941863 1082466326 /nfs/dbraw/zinc/46/63/26/1082466326.db2.gz FZDCFADITUDADA-LBPRGKRZSA-N 1 0 319.430 2.368 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ocnc2C)cc1C ZINC001483119134 1082726800 /nfs/dbraw/zinc/72/68/00/1082726800.db2.gz KTMPNQQJNATKSI-GFCCVEGCSA-N 1 0 317.389 2.208 20 10 DECDRO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3Cl)C[C@H]2CC1 ZINC001276527394 1083480515 /nfs/dbraw/zinc/48/05/15/1083480515.db2.gz NHYPJYDXTRIXLH-PHIMTYICSA-N 1 0 324.808 2.165 20 10 DECDRO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(O)c(O)c1Cl)CC2 ZINC001276527689 1083480844 /nfs/dbraw/zinc/48/08/44/1083480844.db2.gz WHOHTCBOVZKBFG-UHFFFAOYSA-N 1 0 324.808 2.309 20 10 DECDRO CN1CCC12C[NH+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001276814643 1083627069 /nfs/dbraw/zinc/62/70/69/1083627069.db2.gz IVELYEGUUGKZDK-UHFFFAOYSA-N 1 0 316.323 2.223 20 10 DECDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O)C(C)C ZINC001277192652 1083838978 /nfs/dbraw/zinc/83/89/78/1083838978.db2.gz SBUJTEJUZLJERI-KDOFPFPSSA-N 1 0 318.417 2.319 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277656494 1084079547 /nfs/dbraw/zinc/07/95/47/1084079547.db2.gz DSCUMNLSPRESCL-QAPCUYQASA-N 1 0 318.417 2.178 20 10 DECDRO Cc1cc(CN2CCOCC23C[NH2+]C3)c(C)n1-c1ccccc1 ZINC001235013674 1084272486 /nfs/dbraw/zinc/27/24/86/1084272486.db2.gz AOPXHDZNTXQUFA-UHFFFAOYSA-N 1 0 311.429 2.268 20 10 DECDRO CCN(CC)c1ccc(CN2CCCC23C[NH2+]C3)c(OC)c1 ZINC001235094032 1084309924 /nfs/dbraw/zinc/30/99/24/1084309924.db2.gz GKBHYGMAFLJZCD-UHFFFAOYSA-N 1 0 303.450 2.479 20 10 DECDRO CCN(CC)c1ccc(CN2CCC[C@@H]3[NH2+]C[C@H]32)c(OC)c1 ZINC001235295254 1084376409 /nfs/dbraw/zinc/37/64/09/1084376409.db2.gz JEYSOGXUAIUVSK-DLBZAZTESA-N 1 0 303.450 2.478 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001235674958 1084496307 /nfs/dbraw/zinc/49/63/07/1084496307.db2.gz JSXXCRFUMJKKLK-WMZOPIPTSA-N 1 0 307.434 2.255 20 10 DECDRO CC[C@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OC)CC[NH2+]1 ZINC001235730187 1084511927 /nfs/dbraw/zinc/51/19/27/1084511927.db2.gz KYNGGICAKAKTJW-ZDUSSCGKSA-N 1 0 315.417 2.149 20 10 DECDRO CC[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[NH2+]1 ZINC001235731167 1084514862 /nfs/dbraw/zinc/51/48/62/1084514862.db2.gz XAYBNSLMUKNJHG-INIZCTEOSA-N 1 0 315.461 2.275 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+][C@@H](CO)C2)cc1Cl ZINC001235750636 1084517153 /nfs/dbraw/zinc/51/71/53/1084517153.db2.gz QJBJPLAZPSKHNL-GFCCVEGCSA-N 1 0 312.841 2.109 20 10 DECDRO CC1(C)C[NH2+]CCN1Cc1cccc(OC(F)(F)F)c1O ZINC001235825309 1084538687 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CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)C1=O ZINC001273320655 1091036366 /nfs/dbraw/zinc/03/63/66/1091036366.db2.gz FJOSHGSYWNRWKS-LJQANCHMSA-N 1 0 313.445 2.123 20 10 DECDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001626112000 1091560492 /nfs/dbraw/zinc/56/04/92/1091560492.db2.gz VLJVBXSXZHBDLV-GFCCVEGCSA-N 1 0 317.393 2.311 20 10 DECDRO Oc1ccccc1C[NH+]1CCC2(CN(Cc3cn[nH]c3)C2)CC1 ZINC001275267540 1091645297 /nfs/dbraw/zinc/64/52/97/1091645297.db2.gz QSQWOGUPQJJMJQ-UHFFFAOYSA-N 1 0 312.417 2.213 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c1 ZINC001275311780 1091663572 /nfs/dbraw/zinc/66/35/72/1091663572.db2.gz MZEQKDOYDWAALN-DOTOQJQBSA-N 1 0 312.417 2.130 20 10 DECDRO CN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@H](C1)O2 ZINC001276287411 1091766110 /nfs/dbraw/zinc/76/61/10/1091766110.db2.gz TUXPMCQRVQQZBK-IYBDPMFKSA-N 1 0 304.434 2.205 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275908307 1092293030 /nfs/dbraw/zinc/29/30/30/1092293030.db2.gz ASPOAMVTFMVZIW-UHFFFAOYSA-N 1 0 301.365 2.177 20 10 DECDRO C[NH2+][C@@]12CC[C@@](NCc3cc(O)c(O)c(OC)c3)(C1)CCC2 ZINC001275962094 1092384341 /nfs/dbraw/zinc/38/43/41/1092384341.db2.gz AFGOYCOKCOEVQI-DLBZAZTESA-N 1 0 306.406 2.261 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1OC ZINC001351960062 1151638773 /nfs/dbraw/zinc/63/87/73/1151638773.db2.gz BSWTXAIPPFLUBE-JSGCOSHPSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)cc1Br ZINC001236746536 1138406193 /nfs/dbraw/zinc/40/61/93/1138406193.db2.gz DHBOLCIHRXESBJ-SCZZXKLOSA-N 1 0 316.195 2.118 20 10 DECDRO CCc1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001236788739 1138428391 /nfs/dbraw/zinc/42/83/91/1138428391.db2.gz NZJYWQQDGGMSOE-QGZVFWFLSA-N 1 0 304.434 2.251 20 10 DECDRO CC[NH+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3Cl)C[C@@H]2C1 ZINC001236806540 1138432700 /nfs/dbraw/zinc/43/27/00/1138432700.db2.gz YCCJTXMBTQZERQ-RYUDHWBXSA-N 1 0 310.825 2.438 20 10 DECDRO 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Nc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237973866 283665050 /nfs/dbraw/zinc/66/50/50/283665050.db2.gz RICYIVIODONDSC-UHFFFAOYSA-N 1 0 324.428 2.420 20 10 DECDRO Cc1cc(C[NH2+][C@H]2CCC(=O)NC23CCC3)ccc1N(C)C ZINC000294106482 223854063 /nfs/dbraw/zinc/85/40/63/223854063.db2.gz MSIKIFNQCRRVBE-INIZCTEOSA-N 1 0 301.434 2.352 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H](C3CCC3)C1)OCO2 ZINC000292164237 285381817 /nfs/dbraw/zinc/38/18/17/285381817.db2.gz WOOBWOSQJFNDBZ-AWEZNQCLSA-N 1 0 305.374 2.369 20 10 DECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000272471470 130033499 /nfs/dbraw/zinc/03/34/99/130033499.db2.gz AIUYVSJWEGTQPS-ZJUUUORDSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1O ZINC000272714002 130056855 /nfs/dbraw/zinc/05/68/55/130056855.db2.gz FQHGZEPWJFTZJC-CQSZACIVSA-N 1 0 318.417 2.497 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000273609679 130143939 /nfs/dbraw/zinc/14/39/39/130143939.db2.gz VMPSPIWFTTUCLY-WCBMZHEXSA-N 1 0 313.195 2.036 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275122635 130293474 /nfs/dbraw/zinc/29/34/74/130293474.db2.gz HWUDQBWRYRUKLX-NSHDSACASA-N 1 0 316.323 2.201 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000275584411 130342198 /nfs/dbraw/zinc/34/21/98/130342198.db2.gz PIAOQXFVDHMWHL-HOTGVXAUSA-N 1 0 300.406 2.106 20 10 DECDRO Brc1cnn(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000285579442 131182808 /nfs/dbraw/zinc/18/28/08/131182808.db2.gz UYEBWKOQOFBNFN-UHFFFAOYSA-N 1 0 322.206 2.370 20 10 DECDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000289247802 131368670 /nfs/dbraw/zinc/36/86/70/131368670.db2.gz DZVLITIOHAXXAF-AWEZNQCLSA-N 1 0 306.406 2.282 20 10 DECDRO CCCOc1ccc(CN(CCOC)CC[NH+](C)C)c(O)c1 ZINC000289531294 131394091 /nfs/dbraw/zinc/39/40/91/131394091.db2.gz WCCWPOWTMDJKDC-UHFFFAOYSA-N 1 0 310.438 2.191 20 10 DECDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000290047224 131448365 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C[C@@H]([NH2+]CCCOCCO)c1ccc(Br)cc1O ZINC000186514525 402438183 /nfs/dbraw/zinc/43/81/83/402438183.db2.gz HCNBMTLJCJXORW-SNVBAGLBSA-N 1 0 318.211 2.204 20 10 DECDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000177880591 402442430 /nfs/dbraw/zinc/44/24/30/402442430.db2.gz PAVCMGJZHXCCBV-HUUCEWRRSA-N 1 0 303.450 2.441 20 10 DECDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000186584804 402444347 /nfs/dbraw/zinc/44/43/47/402444347.db2.gz KLIKAGXIAAZVNF-WMZOPIPTSA-N 1 0 306.450 2.408 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(O)c1 ZINC000245699963 402480928 /nfs/dbraw/zinc/48/09/28/402480928.db2.gz CWHLQFMQHFXNSS-CABCVRRESA-N 1 0 322.449 2.068 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](CCO)c2ccco2)cc1OC ZINC000187529620 402504016 /nfs/dbraw/zinc/50/40/16/402504016.db2.gz NFENSQOPQSLDOC-GFCCVEGCSA-N 1 0 307.346 2.216 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1n1ccnc1 ZINC000246676678 402540376 /nfs/dbraw/zinc/54/03/76/402540376.db2.gz 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COc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282989291 403164873 /nfs/dbraw/zinc/16/48/73/403164873.db2.gz JWESEYCFBQSZIL-CXAGYDPISA-N 1 0 321.417 2.058 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000269307315 403129793 /nfs/dbraw/zinc/12/97/93/403129793.db2.gz ZFVIKRBSWRELHO-BLLLJJGKSA-N 1 0 312.417 2.298 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(O)c1O ZINC000277449443 403218725 /nfs/dbraw/zinc/21/87/25/403218725.db2.gz GCMOMLGLQNOYLJ-CYBMUJFWSA-N 1 0 304.390 2.153 20 10 DECDRO CCOc1cccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1O ZINC000277609762 403236240 /nfs/dbraw/zinc/23/62/40/403236240.db2.gz APCBRTXCMLVWDB-HNNXBMFYSA-N 1 0 322.449 2.381 20 10 DECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000276578983 403188159 /nfs/dbraw/zinc/18/81/59/403188159.db2.gz LIXDMZBFZIZKHG-NSHDSACASA-N 1 0 310.369 2.231 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1F ZINC000271235896 403282444 /nfs/dbraw/zinc/28/24/44/403282444.db2.gz 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404255070 /nfs/dbraw/zinc/25/50/70/404255070.db2.gz MUQLIFJFOZFDJF-GXSJLCMTSA-N 1 0 320.842 2.024 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)nc2OC)c1 ZINC000290893001 404354303 /nfs/dbraw/zinc/35/43/03/404354303.db2.gz LNGJRNLRWHLWMJ-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)CC1 ZINC000296645673 404314073 /nfs/dbraw/zinc/31/40/73/404314073.db2.gz WWNHBJUICLBPMC-LBPRGKRZSA-N 1 0 322.380 2.041 20 10 DECDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1CC(F)(F)F ZINC000296781362 404318309 /nfs/dbraw/zinc/31/83/09/404318309.db2.gz KTONIFSEFFBROO-QWRGUYRKSA-N 1 0 314.307 2.132 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000371207382 404451075 /nfs/dbraw/zinc/45/10/75/404451075.db2.gz KDOIXAQMALBUMZ-MSOLQXFVSA-N 1 0 302.418 2.180 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000367729936 405137403 /nfs/dbraw/zinc/13/74/03/405137403.db2.gz QULLFPIQKDJFHW-CYBMUJFWSA-N 1 0 301.390 2.199 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC001329711196 1148979545 /nfs/dbraw/zinc/97/95/45/1148979545.db2.gz VFLONOVTBNUNSX-GMXABZIVSA-N 1 0 323.387 2.130 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000834899809 649858561 /nfs/dbraw/zinc/85/85/61/649858561.db2.gz KQDBIONIHPAUMD-IUCAKERBSA-N 1 0 315.211 2.330 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000363712710 332227362 /nfs/dbraw/zinc/22/73/62/332227362.db2.gz KHMFLUTXALOVLU-CZUORRHYSA-N 1 0 300.406 2.445 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418102551 533971220 /nfs/dbraw/zinc/97/12/20/533971220.db2.gz USJHSJRULODLIA-ZDUSSCGKSA-N 1 0 300.406 2.038 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000418093732 533971508 /nfs/dbraw/zinc/97/15/08/533971508.db2.gz CGWCAKYAMLLEBQ-ZFWWWQNUSA-N 1 0 314.433 2.426 20 10 DECDRO CC[C@@H](CO)[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835029263 649869186 /nfs/dbraw/zinc/86/91/86/649869186.db2.gz RWODLWNBRZDIOP-QWNKOJSDSA-N 1 0 317.477 2.154 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)COCC2CC2)cc1 ZINC000835035423 649869843 /nfs/dbraw/zinc/86/98/43/649869843.db2.gz CQEGFTNFJTUCNA-JXCVUKRWSA-N 1 0 304.434 2.143 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1F ZINC000158599492 520892127 /nfs/dbraw/zinc/89/21/27/520892127.db2.gz LJVKQTRTZUOFKQ-UHFFFAOYSA-N 1 0 307.413 2.369 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1F ZINC000265815686 520904929 /nfs/dbraw/zinc/90/49/29/520904929.db2.gz WNMYSZKUPXVVRZ-UHFFFAOYSA-N 1 0 310.413 2.303 20 10 DECDRO CC[N@@H+](Cc1cc(Br)ccc1O)CC1OCCO1 ZINC000182375685 521285074 /nfs/dbraw/zinc/28/50/74/521285074.db2.gz PBNURJKQTCNXBP-UHFFFAOYSA-N 1 0 316.195 2.350 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH2+]CC3)c2C)cc1 ZINC000237505585 523315215 /nfs/dbraw/zinc/31/52/15/523315215.db2.gz JVIZJUKRDQGESV-UHFFFAOYSA-N 1 0 313.401 2.148 20 10 DECDRO CN1CCCc2cc(CNC(=O)CCC3CC[NH2+]CC3)ccc21 ZINC000155951909 523859345 /nfs/dbraw/zinc/85/93/45/523859345.db2.gz UVWRDPYMZWEAQD-UHFFFAOYSA-N 1 0 315.461 2.465 20 10 DECDRO CN(C)c1ccc(CN(C(=O)/C=C/C[NH+](C)C)C2CC2)cc1 ZINC000265630485 524034152 /nfs/dbraw/zinc/03/41/52/524034152.db2.gz JGGOSUNZGLKBLC-AATRIKPKSA-N 1 0 301.434 2.361 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000182054253 524741949 /nfs/dbraw/zinc/74/19/49/524741949.db2.gz RHBCMQMBSZDFGV-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO Cc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c(O)c1O ZINC000182262015 526171187 /nfs/dbraw/zinc/17/11/87/526171187.db2.gz JEAJUJUQJLCMRI-ZDUSSCGKSA-N 1 0 306.406 2.401 20 10 DECDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000267121935 527359131 /nfs/dbraw/zinc/35/91/31/527359131.db2.gz UCNJUCJZVIGWIR-UHFFFAOYSA-N 1 0 303.381 2.291 20 10 DECDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000365113852 527407273 /nfs/dbraw/zinc/40/72/73/527407273.db2.gz BBYCDUUZSNEYEQ-UHFFFAOYSA-N 1 0 320.324 2.473 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285524993 535804474 /nfs/dbraw/zinc/80/44/74/535804474.db2.gz BJUCVDVYJXIZGO-CZUORRHYSA-N 1 0 309.429 2.208 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000835051171 649872046 /nfs/dbraw/zinc/87/20/46/649872046.db2.gz HJTJQCQQXWBZPL-OPCNFVSTSA-N 1 0 304.434 2.000 20 10 DECDRO CC(C)S(=O)(=O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835051929 649872205 /nfs/dbraw/zinc/87/22/05/649872205.db2.gz BZFSWFKSKBAKAC-WAYWQWQTSA-N 1 0 310.463 2.179 20 10 DECDRO C[C@@H]1OCC[C@H]1[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835055684 649872985 /nfs/dbraw/zinc/87/29/85/649872985.db2.gz XLVKTDFAUPHBKP-UGZKAYFTSA-N 1 0 304.434 2.238 20 10 DECDRO COc1cccc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000835071671 649874973 /nfs/dbraw/zinc/87/49/73/649874973.db2.gz SBLYUILUSCKWRB-LBPRGKRZSA-N 1 0 315.373 2.221 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000835080920 649876420 /nfs/dbraw/zinc/87/64/20/649876420.db2.gz ZTTDBKSDYUANPU-GHMZBOCLSA-N 1 0 316.195 2.166 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000840910675 625577530 /nfs/dbraw/zinc/57/75/30/625577530.db2.gz WLCNBYIUBCUZJW-IBGZPJMESA-N 1 0 317.477 2.358 20 10 DECDRO CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC000891248352 623792763 /nfs/dbraw/zinc/79/27/63/623792763.db2.gz KYHJESYIYKCQKN-IRXDYDNUSA-N 1 0 321.465 2.143 20 10 DECDRO Cc1c[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251301 623797382 /nfs/dbraw/zinc/79/73/82/623797382.db2.gz BQQVTMJKRSIMPI-KRWDZBQOSA-N 1 0 314.433 2.422 20 10 DECDRO CCOCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254951 623800445 /nfs/dbraw/zinc/80/04/45/623800445.db2.gz KRJINKKHNLSFRM-QGZVFWFLSA-N 1 0 321.465 2.288 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2cccnc2)[NH+](C)C)cc1 ZINC000891256946 623803839 /nfs/dbraw/zinc/80/38/39/623803839.db2.gz CDWCBYOVWWPKBJ-KRWDZBQOSA-N 1 0 312.417 2.180 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cocn3)C2)cc1C ZINC001021897754 624134348 /nfs/dbraw/zinc/13/43/48/624134348.db2.gz QBJMWFTUQJLYIW-OKILXGFUSA-N 1 0 315.373 2.042 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)cc1C ZINC001022053060 624184125 /nfs/dbraw/zinc/18/41/25/624184125.db2.gz GAYLVGXCZXLCOO-MJBXVCDLSA-N 1 0 324.371 2.396 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000892614957 625196525 /nfs/dbraw/zinc/19/65/25/625196525.db2.gz OWYGGQGVKNQRJG-GOEBONIOSA-N 1 0 324.490 2.446 20 10 DECDRO COc1ccc(N2CCN(Cc3cn(C)nc3C)CC2)cc1 ZINC000179529971 625792155 /nfs/dbraw/zinc/79/21/55/625792155.db2.gz VACIORIDVBAGQR-UHFFFAOYSA-N 1 0 300.406 2.059 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1O ZINC000725845319 625953328 /nfs/dbraw/zinc/95/33/28/625953328.db2.gz VVZQTDHUKMALKP-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000836249104 650070947 /nfs/dbraw/zinc/07/09/47/650070947.db2.gz KOUNBNVVVXQNPM-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc(F)ccc1O ZINC000186185617 633891561 /nfs/dbraw/zinc/89/15/61/633891561.db2.gz XUGOPVKBMCNJBI-JTQLQIEISA-N 1 0 301.383 2.007 20 10 DECDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c(O)c1OC ZINC000893538261 634222454 /nfs/dbraw/zinc/22/24/54/634222454.db2.gz XGGLHOUXDQKZHO-DLBZAZTESA-N 1 0 307.390 2.457 20 10 DECDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836949469 650148024 /nfs/dbraw/zinc/14/80/24/650148024.db2.gz ZEBNWMHRPRJBOG-IZPAUZPXSA-N 1 0 304.390 2.054 20 10 DECDRO Cc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000840939180 634859520 /nfs/dbraw/zinc/85/95/20/634859520.db2.gz KEGQHYYQTFQYSA-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C)[NH+](C)C)cc1 ZINC000005097876 634948549 /nfs/dbraw/zinc/94/85/49/634948549.db2.gz RAOZHYJIOZYRJW-OAHLLOKOSA-N 1 0 306.454 2.453 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(Cl)c1 ZINC000840941463 634970024 /nfs/dbraw/zinc/97/00/24/634970024.db2.gz AXSAVITXRYPEPJ-FIXISWKDSA-N 1 0 308.809 2.440 20 10 DECDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921998998 635797620 /nfs/dbraw/zinc/79/76/20/635797620.db2.gz QKELZOYNSVWMRQ-QGZVFWFLSA-N 1 0 305.418 2.279 20 10 DECDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccc(N(C)C)cc1 ZINC000922016076 635810386 /nfs/dbraw/zinc/81/03/86/635810386.db2.gz XFCNSWRUYKGGCC-ZDUSSCGKSA-N 1 0 314.433 2.410 20 10 DECDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@H]2CCCCN12 ZINC000922171901 635964970 /nfs/dbraw/zinc/96/49/70/635964970.db2.gz KWFDFSAFIGTZHX-HZPDHXFCSA-N 1 0 300.402 2.255 20 10 DECDRO Cn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922273179 636055758 /nfs/dbraw/zinc/05/57/58/636055758.db2.gz YETZPZHSHXFIDD-NVXWUHKLSA-N 1 0 313.401 2.365 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1OC ZINC000894051824 636100384 /nfs/dbraw/zinc/10/03/84/636100384.db2.gz UPJHLWTZXCNKCJ-AWEZNQCLSA-N 1 0 321.348 2.372 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000894093331 636110529 /nfs/dbraw/zinc/11/05/29/636110529.db2.gz DFHWKQRKFWUVAG-UKRRQHHQSA-N 1 0 318.417 2.200 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)ccc1OC ZINC000922488854 636199926 /nfs/dbraw/zinc/19/99/26/636199926.db2.gz LQEORYTVZSGFEJ-HNNXBMFYSA-N 1 0 320.433 2.190 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(F)c1 ZINC000922563626 636241347 /nfs/dbraw/zinc/24/13/47/636241347.db2.gz JFNZCRNYBVFFTQ-QGZVFWFLSA-N 1 0 319.332 2.257 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCNc2ncccn2)c1O ZINC000894137570 636269071 /nfs/dbraw/zinc/26/90/71/636269071.db2.gz CTXKKFJQUASZOG-UHFFFAOYSA-N 1 0 302.378 2.091 20 10 DECDRO COc1cccc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1O ZINC000922751168 636369973 /nfs/dbraw/zinc/36/99/73/636369973.db2.gz ATASARYDZGTSQO-GFCCVEGCSA-N 1 0 306.328 2.373 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC000894274145 636655995 /nfs/dbraw/zinc/65/59/95/636655995.db2.gz SZQJZYICRZFTIT-DZGCQCFKSA-N 1 0 320.433 2.446 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)c2ccnn2C)cc1 ZINC000922976015 636889120 /nfs/dbraw/zinc/88/91/20/636889120.db2.gz BSELXPWZVLCFFT-KRWDZBQOSA-N 1 0 302.422 2.090 20 10 DECDRO O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000923128976 636983882 /nfs/dbraw/zinc/98/38/82/636983882.db2.gz OTFQUWPWUAFSQW-HUUCEWRRSA-N 1 0 321.396 2.347 20 10 DECDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000923260969 637061675 /nfs/dbraw/zinc/06/16/75/637061675.db2.gz LXRQAPJZQLDTKG-UONOGXRCSA-N 1 0 315.377 2.158 20 10 DECDRO CCCN1CCC[N@H+](Cc2cc(C)cc(OC)c2O)CC1=O ZINC000894539009 637096740 /nfs/dbraw/zinc/09/67/40/637096740.db2.gz OMYLZCNJUKFOSI-UHFFFAOYSA-N 1 0 306.406 2.154 20 10 DECDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c(O)c1OC ZINC000894618647 637135472 /nfs/dbraw/zinc/13/54/72/637135472.db2.gz ZGKBTRQSAJTKFV-KRWDZBQOSA-N 1 0 309.406 2.440 20 10 DECDRO COc1ccc(C[NH2+]CC2(CF)CCOCC2)c(O)c1OC ZINC000894715953 637174148 /nfs/dbraw/zinc/17/41/48/637174148.db2.gz QSYIXKBNQZQTLK-UHFFFAOYSA-N 1 0 313.369 2.265 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000894863819 637272021 /nfs/dbraw/zinc/27/20/21/637272021.db2.gz VRCHXAHWIIXVFZ-HNNXBMFYSA-N 1 0 314.385 2.416 20 10 DECDRO CC[C@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@@H](C)O ZINC000894906239 637321913 /nfs/dbraw/zinc/32/19/13/637321913.db2.gz YHTYKCQAKFRXFW-YGRLFVJLSA-N 1 0 322.380 2.353 20 10 DECDRO COCCOC[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895006608 637366903 /nfs/dbraw/zinc/36/69/03/637366903.db2.gz SKCILRLUXICSPG-JKSUJKDBSA-N 1 0 322.449 2.163 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000895008455 637382702 /nfs/dbraw/zinc/38/27/02/637382702.db2.gz YJUKHTPRVLRKGX-GFCCVEGCSA-N 1 0 302.378 2.207 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCN(C)C3=O)c2c1 ZINC000738265670 637409658 /nfs/dbraw/zinc/40/96/58/637409658.db2.gz JFWAZOQCWAYNFH-INIZCTEOSA-N 1 0 314.385 2.217 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000838479583 637582445 /nfs/dbraw/zinc/58/24/45/637582445.db2.gz RMAHCTOGGDBHSC-UHFFFAOYSA-N 1 0 306.454 2.200 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000895152285 637676053 /nfs/dbraw/zinc/67/60/53/637676053.db2.gz ZPYWSZMVTCPWBS-LBPRGKRZSA-N 1 0 310.350 2.046 20 10 DECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000320137230 637727105 /nfs/dbraw/zinc/72/71/05/637727105.db2.gz DVKZYQIHFTXJSB-INIZCTEOSA-N 1 0 324.808 2.206 20 10 DECDRO CCOC[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146669 637789308 /nfs/dbraw/zinc/78/93/08/637789308.db2.gz QEFUUGJUQCQWMI-GFCCVEGCSA-N 1 0 314.376 2.316 20 10 DECDRO C[N@H+](CCC1(O)CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000839458767 637883976 /nfs/dbraw/zinc/88/39/76/637883976.db2.gz AZGPAZIEHSGFDT-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000740900225 637915649 /nfs/dbraw/zinc/91/56/49/637915649.db2.gz MYCAVBSQSDEHHZ-QWRGUYRKSA-N 1 0 317.838 2.491 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000840911073 650378023 /nfs/dbraw/zinc/37/80/23/650378023.db2.gz WFGZVFXPISCCAJ-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840954800 650393989 /nfs/dbraw/zinc/39/39/89/650393989.db2.gz KJCGEPLLMFCUOQ-CQSZACIVSA-N 1 0 310.413 2.425 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000742377823 638065429 /nfs/dbraw/zinc/06/54/29/638065429.db2.gz XXVFFNXLJSZWQT-DZGCQCFKSA-N 1 0 308.397 2.177 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000840941423 650391499 /nfs/dbraw/zinc/39/14/99/650391499.db2.gz WRWFGEUHMROWOM-MAUKXSAKSA-N 1 0 304.434 2.441 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000840949922 650393240 /nfs/dbraw/zinc/39/32/40/650393240.db2.gz CKTHRHYNXTVMEZ-QRQLOZEOSA-N 1 0 318.461 2.423 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)CN2CCOCC2)cc1 ZINC000840964229 650395868 /nfs/dbraw/zinc/39/58/68/650395868.db2.gz UWAHXKZSZVJRCU-AATRIKPKSA-N 1 0 317.477 2.466 20 10 DECDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000743498662 638152827 /nfs/dbraw/zinc/15/28/27/638152827.db2.gz CCARCZAORMKWSD-RDJZCZTQSA-N 1 0 306.450 2.410 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C=CCC2)[NH+](C)C)cc1 ZINC000895719441 638164438 /nfs/dbraw/zinc/16/44/38/638164438.db2.gz RXRSGVLGQAETRO-DOTOQJQBSA-N 1 0 316.449 2.373 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1OC ZINC000840971392 650397705 /nfs/dbraw/zinc/39/77/05/650397705.db2.gz MKIBYNOLIQFTBM-YGRLFVJLSA-N 1 0 317.332 2.048 20 10 DECDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780549 638198927 /nfs/dbraw/zinc/19/89/27/638198927.db2.gz MWEVMRZPEGJGIN-JIMOISOXSA-N 1 0 312.207 2.357 20 10 DECDRO CC(C)n1nccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043284 650412616 /nfs/dbraw/zinc/41/26/16/650412616.db2.gz QNIITODKKHELQW-QGZVFWFLSA-N 1 0 301.438 2.320 20 10 DECDRO Cc1nc2ccccn2c1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044598 650412742 /nfs/dbraw/zinc/41/27/42/650412742.db2.gz WQHKVJAYYIPYTE-QGZVFWFLSA-N 1 0 323.444 2.498 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1 ZINC000896394786 638500709 /nfs/dbraw/zinc/50/07/09/638500709.db2.gz FVWFBDWVQCEJJA-PBHICJAKSA-N 1 0 304.390 2.411 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc(OCC)cc3O)C[C@@H]21 ZINC000896448933 638518752 /nfs/dbraw/zinc/51/87/52/638518752.db2.gz SXXGNKCNARPVBB-HLLBOEOZSA-N 1 0 319.401 2.422 20 10 DECDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841087036 650428070 /nfs/dbraw/zinc/42/80/70/650428070.db2.gz IGQZRCPRLLFUDC-INIZCTEOSA-N 1 0 309.429 2.125 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC000896878553 638750574 /nfs/dbraw/zinc/75/05/74/638750574.db2.gz IOSVXNVSWJHMMM-ZDUSSCGKSA-N 1 0 306.328 2.373 20 10 DECDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841299162 650471158 /nfs/dbraw/zinc/47/11/58/650471158.db2.gz GODWFWMUJXFEOM-UHFFFAOYSA-N 1 0 320.437 2.280 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000753594396 639318780 /nfs/dbraw/zinc/31/87/80/639318780.db2.gz BPFOWKPLZVQJTL-UHFFFAOYSA-N 1 0 307.390 2.030 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1F ZINC000754085487 639384338 /nfs/dbraw/zinc/38/43/38/639384338.db2.gz NQWADECZDXLWPO-GFCCVEGCSA-N 1 0 316.442 2.195 20 10 DECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000305120594 639461550 /nfs/dbraw/zinc/46/15/50/639461550.db2.gz JMQNFSCUMKRNPX-QGZVFWFLSA-N 1 0 322.424 2.301 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000897358154 639641426 /nfs/dbraw/zinc/64/14/26/639641426.db2.gz RZEHLVIFWHOUPZ-OTCDBFHCSA-N 1 0 300.196 2.324 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000756414951 639660417 /nfs/dbraw/zinc/66/04/17/639660417.db2.gz ALOKRDMUQVIYHR-QEJZJMRPSA-N 1 0 318.417 2.456 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756608432 639678855 /nfs/dbraw/zinc/67/88/55/639678855.db2.gz BMJHMLHMOWVIMU-IUPBHXKESA-N 1 0 305.353 2.136 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2O ZINC000756641713 639680843 /nfs/dbraw/zinc/68/08/43/639680843.db2.gz YLUXRAKTJSWGBG-NOZJJQNGSA-N 1 0 315.348 2.363 20 10 DECDRO COC1(C[NH2+]CCCSc2nccs2)CCOCC1 ZINC000758366188 639951147 /nfs/dbraw/zinc/95/11/47/639951147.db2.gz YXGDZEWMCHDVFC-UHFFFAOYSA-N 1 0 302.465 2.411 20 10 DECDRO CCC[NH2+]CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841719088 650550564 /nfs/dbraw/zinc/55/05/64/650550564.db2.gz DAVCNJVXUKACAW-UHFFFAOYSA-N 1 0 306.454 2.332 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841718800 650550628 /nfs/dbraw/zinc/55/06/28/650550628.db2.gz XDAMPFPKCIIUKX-ZBFHGGJFSA-N 1 0 318.465 2.473 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](CO)CC(F)F)CC2)cc1 ZINC000760038928 640152392 /nfs/dbraw/zinc/15/23/92/640152392.db2.gz NOUCKDPLIYFEDI-ZDUSSCGKSA-N 1 0 314.376 2.270 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000841761236 650558602 /nfs/dbraw/zinc/55/86/02/650558602.db2.gz OEDVUGXKBKOGAY-ZFWWWQNUSA-N 1 0 322.428 2.208 20 10 DECDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841764214 650559241 /nfs/dbraw/zinc/55/92/41/650559241.db2.gz UKYFRWQRAPIPQU-AWEZNQCLSA-N 1 0 321.440 2.407 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000897432735 640224321 /nfs/dbraw/zinc/22/43/21/640224321.db2.gz MLGSALCNYVPALS-QWHCGFSZSA-N 1 0 321.421 2.103 20 10 DECDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794445 650565647 /nfs/dbraw/zinc/56/56/47/650565647.db2.gz XWJISHGTLJZILR-AWEZNQCLSA-N 1 0 304.438 2.069 20 10 DECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761215492 640286005 /nfs/dbraw/zinc/28/60/05/640286005.db2.gz MESUKSPFJYXDQN-NWDGAFQWSA-N 1 0 312.797 2.059 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000761216607 640287050 /nfs/dbraw/zinc/28/70/50/640287050.db2.gz UDCHPMFFDJCECQ-UHFFFAOYSA-N 1 0 322.796 2.200 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH2+]C)cc1F ZINC000841798678 650567797 /nfs/dbraw/zinc/56/77/97/650567797.db2.gz LGNFSBSWVNUKQV-UHFFFAOYSA-N 1 0 310.417 2.033 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000841796132 650566275 /nfs/dbraw/zinc/56/62/75/650566275.db2.gz NTGMTBDQPQMCPX-WFASDCNBSA-N 1 0 322.428 2.303 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1F ZINC000841799405 650567774 /nfs/dbraw/zinc/56/77/74/650567774.db2.gz VZAIAWSTTLDRBY-CYBMUJFWSA-N 1 0 322.428 2.175 20 10 DECDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000763025418 640492810 /nfs/dbraw/zinc/49/28/10/640492810.db2.gz RPYYQXIOKISJQG-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1OC ZINC000897510512 640519317 /nfs/dbraw/zinc/51/93/17/640519317.db2.gz VKNFNUNHAFXANX-DZGCQCFKSA-N 1 0 307.390 2.457 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2C(=O)N(C)C)c1 ZINC000841863946 650585046 /nfs/dbraw/zinc/58/50/46/650585046.db2.gz OLYTXZDYNPLZFD-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc(Cl)ccc1O ZINC000897514382 640525228 /nfs/dbraw/zinc/52/52/28/640525228.db2.gz PHEPAKFKMBSAFS-LLVKDONJSA-N 1 0 311.813 2.329 20 10 DECDRO Cc1cc(N)nc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897521093 640536978 /nfs/dbraw/zinc/53/69/78/640536978.db2.gz CCYPOQRTXFQIBJ-OAHLLOKOSA-N 1 0 314.437 2.148 20 10 DECDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000763519439 640549858 /nfs/dbraw/zinc/54/98/58/640549858.db2.gz QYDIOLFVDXLZHE-UHFFFAOYSA-N 1 0 319.355 2.486 20 10 DECDRO C[C@@H](NC(=O)N1CCC(C)([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841881650 650591117 /nfs/dbraw/zinc/59/11/17/650591117.db2.gz UELZIBBMYXWVJD-CYBMUJFWSA-N 1 0 304.438 2.336 20 10 DECDRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881599 650591276 /nfs/dbraw/zinc/59/12/76/650591276.db2.gz AEXVADRWXFMCQJ-CYBMUJFWSA-N 1 0 304.438 2.112 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882958 650592230 /nfs/dbraw/zinc/59/22/30/650592230.db2.gz PYPBNISGGNGGQX-UONOGXRCSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841882909 650592396 /nfs/dbraw/zinc/59/23/96/650592396.db2.gz PIAFVVXFXWVAKT-MELADBBJSA-N 1 0 304.438 2.192 20 10 DECDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892202 650595784 /nfs/dbraw/zinc/59/57/84/650595784.db2.gz VBQIXCQXDUAGKJ-DJAVDHGHSA-N 1 0 317.477 2.153 20 10 DECDRO Nc1ccc(CCNC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000841909916 650598993 /nfs/dbraw/zinc/59/89/93/650598993.db2.gz KXPAQUFRDRTREL-UHFFFAOYSA-N 1 0 318.465 2.377 20 10 DECDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[NH3+])cc1 ZINC000841920012 650602780 /nfs/dbraw/zinc/60/27/80/650602780.db2.gz DKFLVCXZNXNNNM-UHFFFAOYSA-N 1 0 316.405 2.016 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000765386029 640771674 /nfs/dbraw/zinc/77/16/74/640771674.db2.gz QYIFDTUPSLIECS-WDEREUQCSA-N 1 0 317.355 2.470 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841950530 650609535 /nfs/dbraw/zinc/60/95/35/650609535.db2.gz UCSUPERDRLJRFT-HUBLWGQQSA-N 1 0 321.421 2.279 20 10 DECDRO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000729681403 640825992 /nfs/dbraw/zinc/82/59/92/640825992.db2.gz ACWGUYWIRKEESA-OAHLLOKOSA-N 1 0 318.421 2.379 20 10 DECDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765934040 640829653 /nfs/dbraw/zinc/82/96/53/640829653.db2.gz GEVBOSIJLBFWNE-UGSOOPFHSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC000765978055 640835166 /nfs/dbraw/zinc/83/51/66/640835166.db2.gz CCUGAMAFMZMBHX-AWEZNQCLSA-N 1 0 324.490 2.446 20 10 DECDRO CCC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979325 640835588 /nfs/dbraw/zinc/83/55/88/640835588.db2.gz RCOGJKFGMJGRRV-CQSZACIVSA-N 1 0 310.463 2.200 20 10 DECDRO C[NH+](C)CCCC(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955574 650611231 /nfs/dbraw/zinc/61/12/31/650611231.db2.gz HEKIBLJWLDESMK-UHFFFAOYSA-N 1 0 306.454 2.231 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000841986050 650620103 /nfs/dbraw/zinc/62/01/03/650620103.db2.gz LIBNSNUHISLDNS-UKRRQHHQSA-N 1 0 305.422 2.312 20 10 DECDRO COc1cc(C[NH2+][C@]2(C)CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000897870145 640957529 /nfs/dbraw/zinc/95/75/29/640957529.db2.gz YGMPYHIKOAMBFC-QGZVFWFLSA-N 1 0 306.406 2.067 20 10 DECDRO COC(=O)c1cc(C2C[NH+](Cc3cc(C)c(C)cc3O)C2)[nH]n1 ZINC000898004886 640990949 /nfs/dbraw/zinc/99/09/49/640990949.db2.gz OXGKQWYSAKZSMY-UHFFFAOYSA-N 1 0 315.373 2.118 20 10 DECDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(C)C ZINC000768444533 641082897 /nfs/dbraw/zinc/08/28/97/641082897.db2.gz AIZKMIJTQDGLNL-BHYGNILZSA-N 1 0 321.417 2.453 20 10 DECDRO Cc1cccc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768532164 641093862 /nfs/dbraw/zinc/09/38/62/641093862.db2.gz MKHZVOSIHRKTDD-UHFFFAOYSA-N 1 0 324.421 2.020 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842006196 650626212 /nfs/dbraw/zinc/62/62/12/650626212.db2.gz KYTGDMQUPIKALA-CQSZACIVSA-N 1 0 304.438 2.164 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000768842154 641132851 /nfs/dbraw/zinc/13/28/51/641132851.db2.gz SWJFPUWLDPNMFT-ZDUSSCGKSA-N 1 0 305.374 2.325 20 10 DECDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769398882 641233735 /nfs/dbraw/zinc/23/37/35/641233735.db2.gz LJMQREKFSFXFJC-OAHLLOKOSA-N 1 0 308.397 2.131 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1 ZINC000770380769 641362632 /nfs/dbraw/zinc/36/26/32/641362632.db2.gz QQJVTLPMADZVJK-ZBFHGGJFSA-N 1 0 318.417 2.282 20 10 DECDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc(N(C)C)cc1 ZINC000842205537 650670750 /nfs/dbraw/zinc/67/07/50/650670750.db2.gz HIJXXGCNELXBEO-CYBMUJFWSA-N 1 0 301.438 2.403 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)cc1 ZINC000927131131 641660959 /nfs/dbraw/zinc/66/09/59/641660959.db2.gz HTPGUQBWORPQDH-GUYCJALGSA-N 1 0 302.422 2.260 20 10 DECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773026536 641718218 /nfs/dbraw/zinc/71/82/18/641718218.db2.gz NPAWMVTXSDBSFW-HZPDHXFCSA-N 1 0 322.449 2.225 20 10 DECDRO CCOC(=O)C1(O)CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773753272 641819820 /nfs/dbraw/zinc/81/98/20/641819820.db2.gz FGNDGNUGZUXPOW-UHFFFAOYSA-N 1 0 320.433 2.033 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000773752124 641820070 /nfs/dbraw/zinc/82/00/70/641820070.db2.gz HYSHIFBLVMDIAO-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000774830893 641970648 /nfs/dbraw/zinc/97/06/48/641970648.db2.gz GETJNPWQKSFPDG-SJLPKXTDSA-N 1 0 304.434 2.428 20 10 DECDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904717 641979159 /nfs/dbraw/zinc/97/91/59/641979159.db2.gz JXDCNNSVCFCSSC-VXGBXAGGSA-N 1 0 323.393 2.224 20 10 DECDRO COc1c(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000775109612 642008222 /nfs/dbraw/zinc/00/82/22/642008222.db2.gz ZIWPLSCUFJODFX-WDMOLILDSA-N 1 0 324.377 2.290 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000775503618 642052840 /nfs/dbraw/zinc/05/28/40/642052840.db2.gz KXBPHOAFAATVAI-HIFRSBDPSA-N 1 0 311.857 2.332 20 10 DECDRO Cc1cccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1O ZINC000775760135 642090712 /nfs/dbraw/zinc/09/07/12/642090712.db2.gz WGXBRBTUUZQVLK-UHFFFAOYSA-N 1 0 312.417 2.460 20 10 DECDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000776250751 642149281 /nfs/dbraw/zinc/14/92/81/642149281.db2.gz LAZISTIAUJFIGF-UHFFFAOYSA-N 1 0 317.410 2.320 20 10 DECDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000899811741 642175233 /nfs/dbraw/zinc/17/52/33/642175233.db2.gz XXUVWQFUZLHPHJ-LLVKDONJSA-N 1 0 303.387 2.200 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nc(C4CC4)no3)cc2)CC1 ZINC000777521003 642275193 /nfs/dbraw/zinc/27/51/93/642275193.db2.gz YYSPMUIIPLMAAI-UHFFFAOYSA-N 1 0 313.405 2.311 20 10 DECDRO CC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779484875 642505444 /nfs/dbraw/zinc/50/54/44/642505444.db2.gz VYMVEOZGYTUBJV-FNORWQNLSA-N 1 0 304.390 2.054 20 10 DECDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892576 642685313 /nfs/dbraw/zinc/68/53/13/642685313.db2.gz MBWHWBSUAMFPHE-GDBMZVCRSA-N 1 0 322.424 2.255 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c1O ZINC000780956862 642695212 /nfs/dbraw/zinc/69/52/12/642695212.db2.gz UZYHSZFLXSSDBX-AWEZNQCLSA-N 1 0 318.417 2.210 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OC(F)F)C1)[C@H](O)CO2 ZINC000781150516 642719600 /nfs/dbraw/zinc/71/96/00/642719600.db2.gz DWFMSEJKTDMQDL-GXFFZTMASA-N 1 0 315.316 2.022 20 10 DECDRO C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000781161745 642721814 /nfs/dbraw/zinc/72/18/14/642721814.db2.gz UGPMJLMNUDJXFM-AWEZNQCLSA-N 1 0 316.449 2.202 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842617831 650783742 /nfs/dbraw/zinc/78/37/42/650783742.db2.gz WWVSZYZXYUQNDD-AWEZNQCLSA-N 1 0 321.384 2.417 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625038 650785955 /nfs/dbraw/zinc/78/59/55/650785955.db2.gz HSUCDLBWLVUBFT-GUYCJALGSA-N 1 0 312.369 2.203 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CO1 ZINC000842669676 650800234 /nfs/dbraw/zinc/80/02/34/650800234.db2.gz NPLAEZFMPCGZEH-WMLDXEAASA-N 1 0 304.434 2.162 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO1 ZINC000842669653 650800254 /nfs/dbraw/zinc/80/02/54/650800254.db2.gz NMLHUKFIHBJAFD-JSGCOSHPSA-N 1 0 308.397 2.054 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC000783731048 643043577 /nfs/dbraw/zinc/04/35/77/643043577.db2.gz XPNXFXKCKGZAPO-KRWDZBQOSA-N 1 0 304.434 2.116 20 10 DECDRO CN(C)c1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000902518699 643063149 /nfs/dbraw/zinc/06/31/49/643063149.db2.gz TZYVUBSEGGPZAM-BQFCYCMXSA-N 1 0 304.482 2.215 20 10 DECDRO COC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000902564348 643070552 /nfs/dbraw/zinc/07/05/52/643070552.db2.gz QKVYSBXJNCUZLQ-AWEZNQCLSA-N 1 0 317.385 2.401 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000903024067 643228737 /nfs/dbraw/zinc/22/87/37/643228737.db2.gz KDWGEOPZLRDRIY-ZIAGYGMSSA-N 1 0 301.438 2.471 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(c2cnn(C)c2)CCCO1)c1ccccc1O ZINC000903355819 643325376 /nfs/dbraw/zinc/32/53/76/643325376.db2.gz KJRWEBMLBNYFHB-SUMWQHHRSA-N 1 0 301.390 2.482 20 10 DECDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnn1C ZINC000903448820 643355949 /nfs/dbraw/zinc/35/59/49/643355949.db2.gz TZMRMTGUIJIPHU-KSSFIOAISA-N 1 0 315.465 2.440 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nnc(C(F)F)o3)cc2)CC1 ZINC000787246765 643471715 /nfs/dbraw/zinc/47/17/15/643471715.db2.gz QLKBHGZUHDTZQM-UHFFFAOYSA-N 1 0 323.347 2.371 20 10 DECDRO O=C(NCCCSc1nccs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787350145 643484851 /nfs/dbraw/zinc/48/48/51/643484851.db2.gz XJTVGVFQGUJFNK-GFCCVEGCSA-N 1 0 311.476 2.368 20 10 DECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969702 643530123 /nfs/dbraw/zinc/53/01/23/643530123.db2.gz JKQQKAPTCREBIR-KRWDZBQOSA-N 1 0 317.477 2.309 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769363 643540137 /nfs/dbraw/zinc/54/01/37/643540137.db2.gz DWEVJHFILMCEHT-KGLIPLIRSA-N 1 0 312.360 2.239 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1 ZINC000842918198 650852441 /nfs/dbraw/zinc/85/24/41/650852441.db2.gz DKOAIQFBKYBDFM-SJKOYZFVSA-N 1 0 309.406 2.229 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1 ZINC000788669392 643634691 /nfs/dbraw/zinc/63/46/91/643634691.db2.gz NUSAPMIJJFOQRL-ZDUSSCGKSA-N 1 0 311.447 2.484 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)cc1F ZINC000905077312 643776493 /nfs/dbraw/zinc/77/64/93/643776493.db2.gz WYJWTJHRRRZYAW-HNNXBMFYSA-N 1 0 324.440 2.285 20 10 DECDRO C[N@H+](CCNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1 ZINC000789969528 643797231 /nfs/dbraw/zinc/79/72/31/643797231.db2.gz WUNURYVQQCAEBO-UHFFFAOYSA-N 1 0 318.348 2.099 20 10 DECDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000790069194 643812138 /nfs/dbraw/zinc/81/21/38/643812138.db2.gz NMDWKVYRGOWGAZ-MNOVXSKESA-N 1 0 310.369 2.087 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905292823 643848952 /nfs/dbraw/zinc/84/89/52/643848952.db2.gz RIPLEPUNSGMLFB-QAPCUYQASA-N 1 0 320.477 2.248 20 10 DECDRO COCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CC[C@@H](C)C1 ZINC000790481641 643858203 /nfs/dbraw/zinc/85/82/03/643858203.db2.gz YABNFBGRFXNXQQ-IFIJOSMWSA-N 1 0 321.417 2.455 20 10 DECDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000790618945 643874011 /nfs/dbraw/zinc/87/40/11/643874011.db2.gz MBYWDUZROZVIOS-QMTHXVAHSA-N 1 0 301.814 2.293 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790932336 643911253 /nfs/dbraw/zinc/91/12/53/643911253.db2.gz NTNOEKDGGWOYCP-DCGLDWPTSA-N 1 0 307.390 2.169 20 10 DECDRO C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C[NH3+] ZINC000843052881 650878357 /nfs/dbraw/zinc/87/83/57/650878357.db2.gz XNXZHEMWBXXVMN-KBXCAEBGSA-N 1 0 321.440 2.222 20 10 DECDRO CCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000843053357 650878617 /nfs/dbraw/zinc/87/86/17/650878617.db2.gz XSXJRFAPYUAAGF-GOSISDBHSA-N 1 0 303.450 2.097 20 10 DECDRO CC(=O)c1cc(Cl)cc(Cn2cc(C[NH2+]C(C)C)nn2)c1O ZINC000905783826 644039978 /nfs/dbraw/zinc/03/99/78/644039978.db2.gz LGUQHIWFVGKIOY-UHFFFAOYSA-N 1 0 322.796 2.386 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c(O)c1 ZINC000792827992 644156975 /nfs/dbraw/zinc/15/69/75/644156975.db2.gz FTQIBLAIOVMDLB-ZDUSSCGKSA-N 1 0 321.421 2.074 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1C ZINC000792985554 644176759 /nfs/dbraw/zinc/17/67/59/644176759.db2.gz ZWNODOZJBYDWBB-XUJVJEKNSA-N 1 0 307.390 2.468 20 10 DECDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000843120570 650900252 /nfs/dbraw/zinc/90/02/52/650900252.db2.gz QEESPFHITBEWRU-QGZVFWFLSA-N 1 0 313.401 2.332 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000794693635 644461382 /nfs/dbraw/zinc/46/13/82/644461382.db2.gz GTWIMZRSQPMWPJ-GOSISDBHSA-N 1 0 321.417 2.479 20 10 DECDRO Cc1cccnc1/C=C/C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298029 650944499 /nfs/dbraw/zinc/94/44/99/650944499.db2.gz LNQIGLYUBJRXTN-DVQDXYAYSA-N 1 0 324.428 2.285 20 10 DECDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000843298575 650944621 /nfs/dbraw/zinc/94/46/21/650944621.db2.gz PEGIELRZVYMHMB-BBRMVZONSA-N 1 0 312.417 2.067 20 10 DECDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000843368644 650959441 /nfs/dbraw/zinc/95/94/41/650959441.db2.gz PYLSNTYRUFAZQL-XZJROXQQSA-N 1 0 306.381 2.293 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1F ZINC000843414834 650969818 /nfs/dbraw/zinc/96/98/18/650969818.db2.gz OKMXQWCWXVGCKU-CQSZACIVSA-N 1 0 315.396 2.368 20 10 DECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000840826760 644999427 /nfs/dbraw/zinc/99/94/27/644999427.db2.gz VCYCCIQDDMGJKR-LJUAHTATSA-N 1 0 316.195 2.219 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000843484612 650982640 /nfs/dbraw/zinc/98/26/40/650982640.db2.gz AFTUALCQJQRSLT-YOEHRIQHSA-N 1 0 303.450 2.488 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cn2)c1 ZINC000799313874 645155673 /nfs/dbraw/zinc/15/56/73/645155673.db2.gz HVYNBNDZEZGIQN-MGPLVRAMSA-N 1 0 306.337 2.319 20 10 DECDRO COc1cccc(C[NH2+][C@@H](CCO)Cc2ccccc2)c1O ZINC000799349422 645163446 /nfs/dbraw/zinc/16/34/46/645163446.db2.gz GQLSEMMUPSMCLU-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000843504452 650986263 /nfs/dbraw/zinc/98/62/63/650986263.db2.gz AFSJCQIJGOQWSL-WDEREUQCSA-N 1 0 318.446 2.172 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000839917780 645296320 /nfs/dbraw/zinc/29/63/20/645296320.db2.gz IANQGLQGHZXFFF-HNNXBMFYSA-N 1 0 305.466 2.448 20 10 DECDRO CCCC[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccccc1O ZINC000801595138 645421127 /nfs/dbraw/zinc/42/11/27/645421127.db2.gz WCSCYGZFLFYZDR-HNNXBMFYSA-N 1 0 320.433 2.242 20 10 DECDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000840098924 645960798 /nfs/dbraw/zinc/96/07/98/645960798.db2.gz XSRRIZRIYSCXRY-RDJZCZTQSA-N 1 0 307.390 2.065 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CC(N)=O)C3)c2c1 ZINC000808228093 646058723 /nfs/dbraw/zinc/05/87/23/646058723.db2.gz FVNFGEVHCJTGPZ-GFCCVEGCSA-N 1 0 314.385 2.251 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808692860 646129439 /nfs/dbraw/zinc/12/94/39/646129439.db2.gz WBGMMHMHBGJWRK-SNVBAGLBSA-N 1 0 305.827 2.439 20 10 DECDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000808725789 646132909 /nfs/dbraw/zinc/13/29/09/646132909.db2.gz FEJJWOWRXLVOJR-PWSUYJOCSA-N 1 0 315.410 2.492 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2OC)o1 ZINC000809743056 646273055 /nfs/dbraw/zinc/27/30/55/646273055.db2.gz KIEXHKZPEOIIAS-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768070 646280555 /nfs/dbraw/zinc/28/05/55/646280555.db2.gz BJIJZWMAAWAHLM-CYBMUJFWSA-N 1 0 317.813 2.272 20 10 DECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810172390 646334323 /nfs/dbraw/zinc/33/43/23/646334323.db2.gz HGVJZRJZZWVYAJ-QGZVFWFLSA-N 1 0 310.413 2.159 20 10 DECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1[C@@H]1CCCO1 ZINC000811779289 646575254 /nfs/dbraw/zinc/57/52/54/646575254.db2.gz OPYGWAYTEMLITH-YQQAZPJKSA-N 1 0 319.401 2.207 20 10 DECDRO CSC1(CNC(=O)C2=CC(=O)CS2)CC[NH+](C)CC1 ZINC000812255296 646621882 /nfs/dbraw/zinc/62/18/82/646621882.db2.gz FVVQLAIRBAKSAP-UHFFFAOYSA-N 1 0 300.449 2.011 20 10 DECDRO Oc1c(C[NH2+]CCCN2CCOCC2)ccc2ccccc21 ZINC000816528846 647147888 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CCC[NH2+]CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817963626 647394869 /nfs/dbraw/zinc/39/48/69/647394869.db2.gz WPORTWWZAZEQCT-AWEZNQCLSA-N 1 0 309.429 2.313 20 10 DECDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961036 647395018 /nfs/dbraw/zinc/39/50/18/647395018.db2.gz TUBSBOKSPJUCSA-MLGOLLRUSA-N 1 0 307.413 2.050 20 10 DECDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965481 647395889 /nfs/dbraw/zinc/39/58/89/647395889.db2.gz RMBMMXNUDQVWEW-LRDDRELGSA-N 1 0 307.413 2.050 20 10 DECDRO COC[C@]1(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975429 647398638 /nfs/dbraw/zinc/39/86/38/647398638.db2.gz UGFBTLGRVCNLEZ-CJBNDPTMSA-N 1 0 308.397 2.438 20 10 DECDRO Cc1cc(NC(=O)CC[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000818941585 647544243 /nfs/dbraw/zinc/54/42/43/647544243.db2.gz LKLLEQQSTFHAMD-UHFFFAOYSA-N 1 0 302.378 2.167 20 10 DECDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(O)CCC3)cc2F)C[C@H](C)O1 ZINC000818966848 647552081 /nfs/dbraw/zinc/55/20/81/647552081.db2.gz OXVJGNXKBKJIIZ-KBPBESRZSA-N 1 0 322.424 2.444 20 10 DECDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000819242772 647616028 /nfs/dbraw/zinc/61/60/28/647616028.db2.gz QVOMZXCVQSRWLO-CZUORRHYSA-N 1 0 308.422 2.107 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000732576874 647626895 /nfs/dbraw/zinc/62/68/95/647626895.db2.gz UUZZEDABKLYJJE-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000915927728 647818865 /nfs/dbraw/zinc/81/88/65/647818865.db2.gz WCQYQRIJTYSISI-UHFFFAOYSA-N 1 0 318.465 2.236 20 10 DECDRO CN(C)c1ccc(CN(C(=S)NCC[NH+](C)C)C2CC2)cc1 ZINC000917595016 648016674 /nfs/dbraw/zinc/01/66/74/648016674.db2.gz UXUKMDYOJWXWKW-UHFFFAOYSA-N 1 0 320.506 2.153 20 10 DECDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000925474400 648194804 /nfs/dbraw/zinc/19/48/04/648194804.db2.gz JEQPYOVHGBTBEW-MRXNPFEDSA-N 1 0 305.491 2.470 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]CCCCS(C)(=O)=O)c1O ZINC000822494204 648218865 /nfs/dbraw/zinc/21/88/65/648218865.db2.gz JHUOBRUQUJPSRD-UHFFFAOYSA-N 1 0 305.827 2.268 20 10 DECDRO CCC[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000920506894 648232523 /nfs/dbraw/zinc/23/25/23/648232523.db2.gz MOUFQQOLGWLEGV-UHFFFAOYSA-N 1 0 309.385 2.205 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000921427125 648312193 /nfs/dbraw/zinc/31/21/93/648312193.db2.gz YEVNGWNTZZTWLK-CYBMUJFWSA-N 1 0 323.412 2.308 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823180702 648369470 /nfs/dbraw/zinc/36/94/70/648369470.db2.gz AEIWDEHHUNPDAZ-OAHLLOKOSA-N 1 0 313.401 2.429 20 10 DECDRO Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000237741873 648412417 /nfs/dbraw/zinc/41/24/17/648412417.db2.gz KJXOEQUCHUMKSQ-OAHLLOKOSA-N 1 0 312.417 2.361 20 10 DECDRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000068450224 648466182 /nfs/dbraw/zinc/46/61/82/648466182.db2.gz QAJMQQXGYKWQMF-OAHLLOKOSA-N 1 0 319.449 2.074 20 10 DECDRO COC(=O)CC[N@H+](Cc1cccc(C)c1O)C1CCOCC1 ZINC000180507731 648495909 /nfs/dbraw/zinc/49/59/09/648495909.db2.gz OEGBTZLHDKAZCP-UHFFFAOYSA-N 1 0 307.390 2.245 20 10 DECDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180752675 648512427 /nfs/dbraw/zinc/51/24/27/648512427.db2.gz OHCZBGAAXFWPFQ-RCQQVGEISA-N 1 0 304.390 2.054 20 10 DECDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824603219 648621950 /nfs/dbraw/zinc/62/19/50/648621950.db2.gz OJJNGDOLYKDWII-CQSZACIVSA-N 1 0 310.413 2.161 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c1O ZINC000824678197 648634261 /nfs/dbraw/zinc/63/42/61/648634261.db2.gz OVGISCBOKGZXMO-HNNXBMFYSA-N 1 0 308.422 2.383 20 10 DECDRO CS[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824683391 648635535 /nfs/dbraw/zinc/63/55/35/648635535.db2.gz HFRPOOKYLBCZER-QGZVFWFLSA-N 1 0 305.491 2.376 20 10 DECDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000824844810 648661044 /nfs/dbraw/zinc/66/10/44/648661044.db2.gz CZRNLXGYQKZTMJ-DYVFJYSZSA-N 1 0 309.406 2.500 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825279184 648735747 /nfs/dbraw/zinc/73/57/47/648735747.db2.gz PPLCMJIMPHHWOT-CQSZACIVSA-N 1 0 321.421 2.027 20 10 DECDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000825291785 648737460 /nfs/dbraw/zinc/73/74/60/648737460.db2.gz PPLXCZQPAGHJCE-LLVKDONJSA-N 1 0 320.252 2.358 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CN2CCOCC2)cc1Cl ZINC000825298376 648738186 /nfs/dbraw/zinc/73/81/86/648738186.db2.gz ZKLRVOQGLPZJJT-LBPRGKRZSA-N 1 0 312.841 2.412 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NC ZINC000825315473 648740532 /nfs/dbraw/zinc/74/05/32/648740532.db2.gz BQLJELPAGXDJIR-CYBMUJFWSA-N 1 0 317.355 2.386 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000826019420 648838919 /nfs/dbraw/zinc/83/89/19/648838919.db2.gz FDYFMSIWVNFFEU-PKOBYXMFSA-N 1 0 315.461 2.491 20 10 DECDRO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000827094953 648970667 /nfs/dbraw/zinc/97/06/67/648970667.db2.gz WWJXFNCULUQRFX-RDTXWAMCSA-N 1 0 319.401 2.182 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCc2cncc(C)n2)c1O ZINC000827384891 649027531 /nfs/dbraw/zinc/02/75/31/649027531.db2.gz ZLPKUMNRHCOAOM-UHFFFAOYSA-N 1 0 307.781 2.485 20 10 DECDRO CCc1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827549537 649050111 /nfs/dbraw/zinc/05/01/11/649050111.db2.gz NDRJQBSBXWNHAR-QGZVFWFLSA-N 1 0 304.434 2.298 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000827579714 649053324 /nfs/dbraw/zinc/05/33/24/649053324.db2.gz HWRHXCJKIQBOGK-UHFFFAOYSA-N 1 0 317.838 2.411 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1 ZINC000827634111 649059858 /nfs/dbraw/zinc/05/98/58/649059858.db2.gz JKFKLZMHHNMMBF-AWEZNQCLSA-N 1 0 318.417 2.235 20 10 DECDRO Oc1ccc(Cl)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827701023 649071026 /nfs/dbraw/zinc/07/10/26/649071026.db2.gz ZMKYOKGYURGEEU-HNNXBMFYSA-N 1 0 310.825 2.077 20 10 DECDRO COC1CCN(c2ccc(C[N@H+](C)C3CC(O)C3)cc2)CC1 ZINC000828867944 649235550 /nfs/dbraw/zinc/23/55/50/649235550.db2.gz IMQWUDSIBMXYPN-UHFFFAOYSA-N 1 0 304.434 2.257 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1F ZINC000829038980 649263594 /nfs/dbraw/zinc/26/35/94/649263594.db2.gz RNVAVBLAHSJYRY-TZMCWYRMSA-N 1 0 307.413 2.286 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000829159796 649279315 /nfs/dbraw/zinc/27/93/15/649279315.db2.gz XVCCCHCONIFAJS-HKUYNNGSSA-N 1 0 318.461 2.160 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000830592260 649465087 /nfs/dbraw/zinc/46/50/87/649465087.db2.gz UOCGAISVFIWROW-BPQIPLTHSA-N 1 0 315.461 2.489 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000733322495 649542482 /nfs/dbraw/zinc/54/24/82/649542482.db2.gz JQEMQDWBILOWMV-UHFFFAOYSA-N 1 0 320.414 2.362 20 10 DECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000733327990 649543765 /nfs/dbraw/zinc/54/37/65/649543765.db2.gz ONQVTXTZXYDKBO-QGZVFWFLSA-N 1 0 308.397 2.179 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCCCCCC[NH3+])c1 ZINC000831264124 649562517 /nfs/dbraw/zinc/56/25/17/649562517.db2.gz ULECUQSGKPHHHF-LBPRGKRZSA-N 1 0 309.410 2.280 20 10 DECDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945226585 649631484 /nfs/dbraw/zinc/63/14/84/649631484.db2.gz WCNVCOQXEJUMED-RISCZKNCSA-N 1 0 317.393 2.309 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)CCN3)cc1 ZINC000832274802 649691557 /nfs/dbraw/zinc/69/15/57/649691557.db2.gz YUGOJYFBOTYLJR-KRWDZBQOSA-N 1 0 324.428 2.150 20 10 DECDRO CC(C)CCO[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279904 649691885 /nfs/dbraw/zinc/69/18/85/649691885.db2.gz MNOOCKKUVNLAEH-YOEHRIQHSA-N 1 0 321.465 2.320 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000844183664 651087815 /nfs/dbraw/zinc/08/78/15/651087815.db2.gz JJUBOWSHWSMEHX-PIIMJCKOSA-N 1 0 313.445 2.005 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(N(C)C)nc2)c1 ZINC000845972359 651298808 /nfs/dbraw/zinc/29/88/08/651298808.db2.gz NNGBZRMKPXCHPW-NSHDSACASA-N 1 0 302.378 2.108 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1F ZINC000846049632 651304381 /nfs/dbraw/zinc/30/43/81/651304381.db2.gz OTRUVNJDRNUKOG-KRWDZBQOSA-N 1 0 310.413 2.303 20 10 DECDRO CCN1C[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000846092068 651307092 /nfs/dbraw/zinc/30/70/92/651307092.db2.gz SWMXPNOJJLVELY-JFDDCEBESA-N 1 0 301.434 2.224 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000846155390 651311749 /nfs/dbraw/zinc/31/17/49/651311749.db2.gz SPQGIAUXSPMJSN-FMSGJZPZSA-N 1 0 304.390 2.061 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000846173015 651313158 /nfs/dbraw/zinc/31/31/58/651313158.db2.gz PIHNHHHNNBQOIA-MNOVXSKESA-N 1 0 300.349 2.391 20 10 DECDRO C[N@H+](CC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCSC1 ZINC000846478108 651332836 /nfs/dbraw/zinc/33/28/36/651332836.db2.gz ZNUJHQSCJHGPLA-GFCCVEGCSA-N 1 0 314.838 2.099 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1F ZINC000846673137 651344681 /nfs/dbraw/zinc/34/46/81/651344681.db2.gz OCIBCCRFADCUFQ-HUUCEWRRSA-N 1 0 305.397 2.039 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2CC[NH3+])c1 ZINC000846676388 651344988 /nfs/dbraw/zinc/34/49/88/651344988.db2.gz DOIGFNGEIHAMEL-LBPRGKRZSA-N 1 0 314.385 2.393 20 10 DECDRO CC(C)[N@H+](CC[C@@H]1CCNC1=O)Cc1ccc(N(C)C)cc1 ZINC000846775778 651350914 /nfs/dbraw/zinc/35/09/14/651350914.db2.gz CBGKBINUFAEELH-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000846935513 651362913 /nfs/dbraw/zinc/36/29/13/651362913.db2.gz GGJHFEJLXIKGHV-UHFFFAOYSA-N 1 0 305.466 2.078 20 10 DECDRO O=C(NCc1ccccc1O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847303611 651387877 /nfs/dbraw/zinc/38/78/77/651387877.db2.gz XTCTUYUXWWNXOR-HUUCEWRRSA-N 1 0 303.406 2.208 20 10 DECDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(O)c1O ZINC000848352149 651453897 /nfs/dbraw/zinc/45/38/97/651453897.db2.gz LUGIZXYEBZGDON-ZIAGYGMSSA-N 1 0 304.390 2.153 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(Cl)cc1[O-] ZINC000848562674 651470919 /nfs/dbraw/zinc/47/09/19/651470919.db2.gz KUVFIISZHCGLLA-KOLCDFICSA-N 1 0 306.797 2.382 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848564153 651471478 /nfs/dbraw/zinc/47/14/78/651471478.db2.gz IHTPVKUSDBOMAZ-ZBFHGGJFSA-N 1 0 313.449 2.479 20 10 DECDRO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000848598989 651477368 /nfs/dbraw/zinc/47/73/68/651477368.db2.gz VYEVFOLDLSTYAB-JOYOIKCWSA-N 1 0 318.343 2.002 20 10 DECDRO CCc1cccc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)c1O ZINC000848917724 651561224 /nfs/dbraw/zinc/56/12/24/651561224.db2.gz KDEANHYZWNLUCO-AWEZNQCLSA-N 1 0 309.431 2.293 20 10 DECDRO COc1cc(C[NH2+]CCc2nc(C)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850234733 651871561 /nfs/dbraw/zinc/87/15/61/651871561.db2.gz KBIILSVQQBYJLC-UHFFFAOYSA-N 1 0 318.421 2.457 20 10 DECDRO COc1cc(C[NH2+]CCCOCCO)c(O)c(C(C)(C)C)c1 ZINC000850241185 651873147 /nfs/dbraw/zinc/87/31/47/651873147.db2.gz WPXJGTNDTHJYHC-UHFFFAOYSA-N 1 0 311.422 2.187 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850371045 651913682 /nfs/dbraw/zinc/91/36/82/651913682.db2.gz TXZZYXQTJARHKL-PJFORWJISA-N 1 0 322.474 2.321 20 10 DECDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000850388891 651917634 /nfs/dbraw/zinc/91/76/34/651917634.db2.gz OPRXUQNEKIFDAA-UHFFFAOYSA-N 1 0 305.422 2.465 20 10 DECDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850395017 651919181 /nfs/dbraw/zinc/91/91/81/651919181.db2.gz LRNFOHHKXIUJJW-MRXNPFEDSA-N 1 0 321.440 2.236 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000850406781 651923136 /nfs/dbraw/zinc/92/31/36/651923136.db2.gz TTXHHYMQWKRBFS-UHFFFAOYSA-N 1 0 312.417 2.036 20 10 DECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCNC2=O)c1O ZINC000850481034 651937024 /nfs/dbraw/zinc/93/70/24/651937024.db2.gz GUOWMDHBXIXEFW-KCJUWKMLSA-N 1 0 313.195 2.002 20 10 DECDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000850558047 651953044 /nfs/dbraw/zinc/95/30/44/651953044.db2.gz SGTBBLOEAVXDCA-DOMZBBRYSA-N 1 0 308.397 2.435 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000850578918 651956714 /nfs/dbraw/zinc/95/67/14/651956714.db2.gz PMMJBGMDYZBDMQ-SZEHBUNVSA-N 1 0 316.195 2.337 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1CO ZINC000857061952 652042999 /nfs/dbraw/zinc/04/29/99/652042999.db2.gz XBYDQIITYPTOSJ-GDBMZVCRSA-N 1 0 322.424 2.113 20 10 DECDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000857063445 652044562 /nfs/dbraw/zinc/04/45/62/652044562.db2.gz TUCXBVOBTGXVAH-KRWDZBQOSA-N 1 0 319.380 2.210 20 10 DECDRO CN(C)c1cc[nH+]cc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548114 652133197 /nfs/dbraw/zinc/13/31/97/652133197.db2.gz DNPJJYLQHTZUCD-UHFFFAOYSA-N 1 0 305.765 2.437 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2(C(N)=O)CCCC2)cc1F ZINC000858139115 652264063 /nfs/dbraw/zinc/26/40/63/652264063.db2.gz OOWYHIZDISZNFT-UHFFFAOYSA-N 1 0 311.376 2.166 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1F ZINC000858165859 652270611 /nfs/dbraw/zinc/27/06/11/652270611.db2.gz PESILCDQRISUQU-NSHDSACASA-N 1 0 306.360 2.401 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000858246855 652287990 /nfs/dbraw/zinc/28/79/90/652287990.db2.gz IKYCZEAZUXOVOR-XYPYZODXSA-N 1 0 315.339 2.125 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000851986880 652302831 /nfs/dbraw/zinc/30/28/31/652302831.db2.gz HCZMGZPFTVUEIE-UHFFFAOYSA-N 1 0 318.465 2.236 20 10 DECDRO COc1ccc(N2CCCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858357004 652316471 /nfs/dbraw/zinc/31/64/71/652316471.db2.gz JUZOYEWSKATMLA-UHFFFAOYSA-N 1 0 313.401 2.299 20 10 DECDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852860423 652471671 /nfs/dbraw/zinc/47/16/71/652471671.db2.gz QRGIQLPIKWZVBE-MRXNPFEDSA-N 1 0 301.434 2.291 20 10 DECDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852860422 652471697 /nfs/dbraw/zinc/47/16/97/652471697.db2.gz QRGIQLPIKWZVBE-INIZCTEOSA-N 1 0 301.434 2.291 20 10 DECDRO Cc1cc(Br)cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1O ZINC000853248380 652529566 /nfs/dbraw/zinc/52/95/66/652529566.db2.gz SMFDHQRTEOJVMN-VXGBXAGGSA-N 1 0 317.202 2.334 20 10 DECDRO C[C@@H](NC(=O)NCC[C@@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000854004437 652631854 /nfs/dbraw/zinc/63/18/54/652631854.db2.gz RPQQCUXVQJQBDR-ZIAGYGMSSA-N 1 0 306.454 2.453 20 10 DECDRO CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000854229978 652661766 /nfs/dbraw/zinc/66/17/66/652661766.db2.gz BYBFXUNJXMZRBS-MOPGFXCFSA-N 1 0 317.477 2.268 20 10 DECDRO CCCC[N@H+](CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305737812 685297207 /nfs/dbraw/zinc/29/72/07/685297207.db2.gz VJOYBWMHXXYLQK-UHFFFAOYSA-N 1 0 310.413 2.257 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000389778582 685435027 /nfs/dbraw/zinc/43/50/27/685435027.db2.gz FUCREQHMBOPNBN-DNVCBOLYSA-N 1 0 323.440 2.448 20 10 DECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000392788540 685450568 /nfs/dbraw/zinc/45/05/68/685450568.db2.gz KMTWZUREEGMEAN-YJBOKZPZSA-N 1 0 304.434 2.164 20 10 DECDRO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000116342756 684064824 /nfs/dbraw/zinc/06/48/24/684064824.db2.gz ZFYAKZQVIGCVHI-RDJZCZTQSA-N 1 0 308.397 2.055 20 10 DECDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000126951039 684158858 /nfs/dbraw/zinc/15/88/58/684158858.db2.gz QHDXTHDSSLACGR-QGZVFWFLSA-N 1 0 322.474 2.344 20 10 DECDRO CN1CCc2cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)ccc21 ZINC000130152703 684185830 /nfs/dbraw/zinc/18/58/30/684185830.db2.gz OCENSHXAUFUZLS-MRXNPFEDSA-N 1 0 318.384 2.125 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000139706646 684251502 /nfs/dbraw/zinc/25/15/02/684251502.db2.gz LSGYZOMJIIWGQJ-QGZVFWFLSA-N 1 0 318.465 2.426 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC3)C[C@H]2C)cc1C ZINC001054312257 693923831 /nfs/dbraw/zinc/92/38/31/693923831.db2.gz WROXZRPOSHVFES-CJNGLKHVSA-N 1 0 302.418 2.350 20 10 DECDRO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C[NH2+]1 ZINC000861590434 686152383 /nfs/dbraw/zinc/15/23/83/686152383.db2.gz RJCQWLPGAYZNBK-GDBMZVCRSA-N 1 0 314.433 2.003 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686085 686169631 /nfs/dbraw/zinc/16/96/31/686169631.db2.gz MFZRKDVUONDNJE-UKRRQHHQSA-N 1 0 305.422 2.454 20 10 DECDRO CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000862432489 686301977 /nfs/dbraw/zinc/30/19/77/686301977.db2.gz FUAOHBPWHBCLNH-SFHVURJKSA-N 1 0 317.385 2.494 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000864635422 686787487 /nfs/dbraw/zinc/78/74/87/686787487.db2.gz ZZVBYEKYDIFWIL-DLBZAZTESA-N 1 0 303.450 2.441 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cnc3c(cnn3C)c2)cc1F ZINC000865437463 687210530 /nfs/dbraw/zinc/21/05/30/687210530.db2.gz NKMTVSAHIRUVPK-UHFFFAOYSA-N 1 0 313.380 2.463 20 10 DECDRO CCOC(=O)/C=C/C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210604 694113548 /nfs/dbraw/zinc/11/35/48/694113548.db2.gz PDQDQMCHMRMWEI-RGDDUWESSA-N 1 0 318.417 2.293 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000868209971 687948129 /nfs/dbraw/zinc/94/81/29/687948129.db2.gz IUNVFMBDNIXPAU-BPLDGKMQSA-N 1 0 303.406 2.379 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872210118 688953211 /nfs/dbraw/zinc/95/32/11/688953211.db2.gz LOCHQVREUQPRBW-PBHICJAKSA-N 1 0 308.466 2.104 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873062772 689151656 /nfs/dbraw/zinc/15/16/56/689151656.db2.gz ZRLUPUZOTVARPE-ZBFHGGJFSA-N 1 0 315.417 2.455 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1C ZINC000873098050 689158651 /nfs/dbraw/zinc/15/86/51/689158651.db2.gz IXRGEVRBDXITFB-INIZCTEOSA-N 1 0 303.406 2.341 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)cc1Cn1cccn1 ZINC000873101184 689159306 /nfs/dbraw/zinc/15/93/06/689159306.db2.gz BDVSRHQBWMNPLI-ZIAGYGMSSA-N 1 0 303.406 2.189 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1Cn1cccn1 ZINC000873134721 689167176 /nfs/dbraw/zinc/16/71/76/689167176.db2.gz TYRNSYHDWFHWDV-BBRMVZONSA-N 1 0 301.390 2.207 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCC[C@H]2CCOC2=O)cc1F ZINC000873159349 689173865 /nfs/dbraw/zinc/17/38/65/689173865.db2.gz LAZCCWPSHCXZBY-NSHDSACASA-N 1 0 312.360 2.464 20 10 DECDRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C ZINC000873171764 689175856 /nfs/dbraw/zinc/17/58/56/689175856.db2.gz XHZRKCWHGAKMFE-MQVJKMGUSA-N 1 0 323.458 2.449 20 10 DECDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000873190103 689179707 /nfs/dbraw/zinc/17/97/07/689179707.db2.gz ZHPOHXASJURZPL-OAHLLOKOSA-N 1 0 309.429 2.092 20 10 DECDRO CCOc1cccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873228635 689189769 /nfs/dbraw/zinc/18/97/69/689189769.db2.gz VCROOELIMHVLTA-RYUDHWBXSA-N 1 0 318.339 2.360 20 10 DECDRO Fc1cc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1N1CCOCC1 ZINC000873229845 689190272 /nfs/dbraw/zinc/19/02/72/689190272.db2.gz HIQFMCYAOODYDL-ZWKOTPCHSA-N 1 0 319.424 2.037 20 10 DECDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931039305 694299600 /nfs/dbraw/zinc/29/96/00/694299600.db2.gz QGUZHUYTFBVRCJ-MAUKXSAKSA-N 1 0 303.450 2.048 20 10 DECDRO C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)[NH+]1CCCCC1 ZINC000875130481 689576523 /nfs/dbraw/zinc/57/65/23/689576523.db2.gz NGANBOHVUWDDOG-ZDUSSCGKSA-N 1 0 303.406 2.292 20 10 DECDRO CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033699307 689588691 /nfs/dbraw/zinc/58/86/91/689588691.db2.gz MMDUNVNTHIHLIZ-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCC23CC3)cc1 ZINC000876507085 689842013 /nfs/dbraw/zinc/84/20/13/689842013.db2.gz VGYIRFSXQYXAPS-CVEARBPZSA-N 1 0 301.434 2.449 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3ccc(C)cc3O)CC2)on1 ZINC000876554758 689854585 /nfs/dbraw/zinc/85/45/85/689854585.db2.gz RMRSDOSKQOVPMA-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876713921 689912547 /nfs/dbraw/zinc/91/25/47/689912547.db2.gz QKDREWJABRBOQX-RDJZCZTQSA-N 1 0 321.440 2.439 20 10 DECDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728766 689918562 /nfs/dbraw/zinc/91/85/62/689918562.db2.gz VBQYUBXBKAKHHU-BZRQOPFWSA-N 1 0 313.445 2.315 20 10 DECDRO C[C@@H]1COCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751935 689927021 /nfs/dbraw/zinc/92/70/21/689927021.db2.gz BMQKKLMIXVJWDG-HNNXBMFYSA-N 1 0 304.434 2.116 20 10 DECDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCOC1 ZINC000876943270 689978811 /nfs/dbraw/zinc/97/88/11/689978811.db2.gz OMGXTKMICZAUEH-KRWDZBQOSA-N 1 0 322.474 2.135 20 10 DECDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)ccc1OCCO ZINC000876954855 689982542 /nfs/dbraw/zinc/98/25/42/689982542.db2.gz QSDMHPCDMMLEAN-UHFFFAOYSA-N 1 0 317.385 2.370 20 10 DECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877040180 690005089 /nfs/dbraw/zinc/00/50/89/690005089.db2.gz UYWIOJOSJZYOPM-GOSISDBHSA-N 1 0 304.434 2.164 20 10 DECDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877055456 690008732 /nfs/dbraw/zinc/00/87/32/690008732.db2.gz SPBXTHAADUENJO-QGZVFWFLSA-N 1 0 306.450 2.288 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877067270 690012067 /nfs/dbraw/zinc/01/20/67/690012067.db2.gz FJGJUMNSQJJELE-SFHVURJKSA-N 1 0 306.450 2.408 20 10 DECDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877074864 690013442 /nfs/dbraw/zinc/01/34/42/690013442.db2.gz UJVXMRLKLXGCHN-SUMWQHHRSA-N 1 0 313.401 2.164 20 10 DECDRO C[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCOC1 ZINC000877162446 690035133 /nfs/dbraw/zinc/03/51/33/690035133.db2.gz GWBUTGKOYIYXHP-SFHVURJKSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877307516 690072072 /nfs/dbraw/zinc/07/20/72/690072072.db2.gz IDERMUVKGJDCKP-KDOFPFPSSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1ccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)c(O)c1 ZINC000877350321 690086017 /nfs/dbraw/zinc/08/60/17/690086017.db2.gz KXYFEDGNASUCPI-UHFFFAOYSA-N 1 0 305.422 2.278 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000877435401 690112563 /nfs/dbraw/zinc/11/25/63/690112563.db2.gz DYUWQCMZWYCHDZ-NSHDSACASA-N 1 0 316.323 2.201 20 10 DECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCCS(=O)(=O)CC1 ZINC000877478255 690125366 /nfs/dbraw/zinc/12/53/66/690125366.db2.gz LYRWYERNJBJBCZ-HNNXBMFYSA-N 1 0 310.463 2.329 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(O)c1 ZINC000877518965 690138359 /nfs/dbraw/zinc/13/83/59/690138359.db2.gz NWEHGSNBFPHCBD-CQSZACIVSA-N 1 0 318.339 2.053 20 10 DECDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)on1 ZINC000877533784 690144205 /nfs/dbraw/zinc/14/42/05/690144205.db2.gz SKMHCTKRKVTDJJ-VIFPVBQESA-N 1 0 306.318 2.026 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877554947 690150373 /nfs/dbraw/zinc/15/03/73/690150373.db2.gz OGKSTVWPUAJEGN-QGZVFWFLSA-N 1 0 318.461 2.242 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000877557969 690151342 /nfs/dbraw/zinc/15/13/42/690151342.db2.gz ZINRYFANXXWBNX-ZDUSSCGKSA-N 1 0 317.410 2.361 20 10 DECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877563068 690152934 /nfs/dbraw/zinc/15/29/34/690152934.db2.gz GCVROHSPZHLTMB-AWEZNQCLSA-N 1 0 306.450 2.287 20 10 DECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877630692 690173173 /nfs/dbraw/zinc/17/31/73/690173173.db2.gz JTOZPCZYWKQWQL-QAPCUYQASA-N 1 0 304.434 2.162 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693691 690193725 /nfs/dbraw/zinc/19/37/25/690193725.db2.gz NZNADXUHVCDUCL-CMPLNLGQSA-N 1 0 305.296 2.003 20 10 DECDRO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)c1ccccc1O ZINC000877756016 690217787 /nfs/dbraw/zinc/21/77/87/690217787.db2.gz YXDXCDIWYJQVDI-LLVKDONJSA-N 1 0 303.362 2.153 20 10 DECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(OCC)ccc2O)C1 ZINC000877828559 690244122 /nfs/dbraw/zinc/24/41/22/690244122.db2.gz HDVLYTSSFPBEHR-LBPRGKRZSA-N 1 0 307.390 2.422 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCO[C@H]3C)CC2)cc1F ZINC000878180968 690337213 /nfs/dbraw/zinc/33/72/13/690337213.db2.gz JOAAYGDTWIWLQN-UONOGXRCSA-N 1 0 308.397 2.381 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878241917 690355544 /nfs/dbraw/zinc/35/55/44/690355544.db2.gz KGNDOSFUQBIHSS-WMZOPIPTSA-N 1 0 301.386 2.309 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000878455311 690412191 /nfs/dbraw/zinc/41/21/91/690412191.db2.gz WCZNUKFCEFLGSH-PBHICJAKSA-N 1 0 306.450 2.459 20 10 DECDRO CN(C)c1ccc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880203387 690838935 /nfs/dbraw/zinc/83/89/35/690838935.db2.gz BIHBLWILMCPPOC-GOSISDBHSA-N 1 0 317.477 2.486 20 10 DECDRO Cc1ncccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851883 691173918 /nfs/dbraw/zinc/17/39/18/691173918.db2.gz SAZJRRLNHPJEHH-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853642 691174033 /nfs/dbraw/zinc/17/40/33/691174033.db2.gz DVFKYFNMUJXECJ-QZTJIDSGSA-N 1 0 315.461 2.347 20 10 DECDRO Cc1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]c1C ZINC000883283430 691471670 /nfs/dbraw/zinc/47/16/70/691471670.db2.gz FLCYZAPDKVEFEL-UHFFFAOYSA-N 1 0 313.449 2.068 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1O ZINC000883374474 691492615 /nfs/dbraw/zinc/49/26/15/691492615.db2.gz DNLRFBZRKDIHMJ-LSJOCFKGSA-N 1 0 303.811 2.272 20 10 DECDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000883378737 691494104 /nfs/dbraw/zinc/49/41/04/691494104.db2.gz WTVIOCPDTDRVMO-JCNLHEQBSA-N 1 0 322.474 2.342 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886238813 692033931 /nfs/dbraw/zinc/03/39/31/692033931.db2.gz JDPKXWJBNMENCZ-AWEZNQCLSA-N 1 0 305.349 2.233 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886257828 692036952 /nfs/dbraw/zinc/03/69/52/692036952.db2.gz MVFDARCJVDKSSO-VBUUOAMHSA-N 1 0 306.450 2.287 20 10 DECDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1c([O-])cccc1F ZINC000886502766 692095121 /nfs/dbraw/zinc/09/51/21/692095121.db2.gz MWTNQARWUSVAEB-CQSZACIVSA-N 1 0 309.429 2.210 20 10 DECDRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886537143 692104076 /nfs/dbraw/zinc/10/40/76/692104076.db2.gz UXPUYZUWLOQZBT-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000886636939 692142693 /nfs/dbraw/zinc/14/26/93/692142693.db2.gz YMLFLZMEXHVBNA-KFWWJZLASA-N 1 0 318.417 2.205 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1O ZINC000894371726 692983661 /nfs/dbraw/zinc/98/36/61/692983661.db2.gz FWSJQIPDBVISBV-AWEZNQCLSA-N 1 0 307.390 2.485 20 10 DECDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000925505146 693285252 /nfs/dbraw/zinc/28/52/52/693285252.db2.gz REELQWUOMUFPCL-GOSISDBHSA-N 1 0 317.477 2.125 20 10 DECDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000926724817 693500204 /nfs/dbraw/zinc/50/02/04/693500204.db2.gz NGFJCCPJZBPXBE-GLJUWKHASA-N 1 0 304.434 2.161 20 10 DECDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)CO ZINC001332697773 1149881367 /nfs/dbraw/zinc/88/13/67/1149881367.db2.gz MAVHSIXQJOOJQD-PBHICJAKSA-N 1 0 301.386 2.309 20 10 DECDRO CC(C)C[C@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001353583680 1151840256 /nfs/dbraw/zinc/84/02/56/1151840256.db2.gz SJSSTBOUZLALSW-ZDUSSCGKSA-N 1 0 305.422 2.242 20 10 DECDRO CC(C)(CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC001356548428 1152088879 /nfs/dbraw/zinc/08/88/79/1152088879.db2.gz NRIVGGBDXVRALT-UHFFFAOYSA-N 1 0 304.438 2.333 20 10 DECDRO O=C(NCCCSc1nccs1)[C@H]1[NH2+]CC12CCCC2 ZINC001357151682 1152258974 /nfs/dbraw/zinc/25/89/74/1152258974.db2.gz ZETUVOVQLJAJCJ-LLVKDONJSA-N 1 0 311.476 2.274 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001357193383 1152267282 /nfs/dbraw/zinc/26/72/82/1152267282.db2.gz GIPLFHIHNPPQMQ-UHFFFAOYSA-N 1 0 315.373 2.119 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)C[C@H]([NH3+])CC(C)C)C2)cc1 ZINC001357823725 1152341979 /nfs/dbraw/zinc/34/19/79/1152341979.db2.gz CSHAYGZSUQXUOX-CABCVRRESA-N 1 0 319.449 2.154 20 10 DECDRO C[NH+](C)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001440817211 1181709924 /nfs/dbraw/zinc/70/99/24/1181709924.db2.gz PLYIZPUCMYGWAH-UHFFFAOYSA-N 1 0 300.358 2.341 20 10 DECDRO C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001168448341 782427658 /nfs/dbraw/zinc/42/76/58/782427658.db2.gz KTYGDWRZWVPHDN-APPDUMDISA-N 1 0 305.349 2.491 20 10 DECDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC(F)(F)F)cc1C ZINC001170994516 790399871 /nfs/dbraw/zinc/39/98/71/790399871.db2.gz ULRODPPZJBQDIO-UHFFFAOYSA-N 1 0 320.311 2.222 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001126245207 778630070 /nfs/dbraw/zinc/63/00/70/778630070.db2.gz ISGVMZVVEYYKJF-VURMDHGXSA-N 1 0 313.401 2.251 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCO[C@@H]2C)cc1C ZINC001126329223 778732382 /nfs/dbraw/zinc/73/23/82/778732382.db2.gz YHCCBJQCAPCJSP-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCO[C@H]2C)cc1C ZINC001126329225 778732452 /nfs/dbraw/zinc/73/24/52/778732452.db2.gz YHCCBJQCAPCJSP-GOEBONIOSA-N 1 0 320.433 2.025 20 10 DECDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495490 783493018 /nfs/dbraw/zinc/49/30/18/783493018.db2.gz JUBBVZKPOCDICU-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CC3)C2)cc1C ZINC001086008711 784313127 /nfs/dbraw/zinc/31/31/27/784313127.db2.gz BADKYWJGHYJKOZ-FZNQNYSPSA-N 1 0 302.418 2.398 20 10 DECDRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](CC)Cc2ccccc2O)CO1 ZINC001169411375 785183388 /nfs/dbraw/zinc/18/33/88/785183388.db2.gz SFQVMOHTXIMRPM-GDBMZVCRSA-N 1 0 307.390 2.325 20 10 DECDRO COC(=O)c1cc(N(C)C(C)(C)C[NH3+])ccc1OC(F)F ZINC001170059734 786172521 /nfs/dbraw/zinc/17/25/21/786172521.db2.gz UXOURYNKBRWPAW-UHFFFAOYSA-N 1 0 302.321 2.248 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCC(F)F)cc1C ZINC001131396006 787612039 /nfs/dbraw/zinc/61/20/39/787612039.db2.gz WBWQUAPTDXKAJK-UHFFFAOYSA-N 1 0 300.349 2.255 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3COC(C)(C)C3)CC2)c(OC)c1 ZINC001172296045 793406629 /nfs/dbraw/zinc/40/66/29/793406629.db2.gz VPESWVQMXFIAFO-CQSZACIVSA-N 1 0 320.433 2.393 20 10 DECDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001173632021 793788880 /nfs/dbraw/zinc/78/88/80/793788880.db2.gz XMGUMMPVXPVBEC-KBPBESRZSA-N 1 0 307.390 2.352 20 10 DECDRO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)c(O)c1 ZINC001173747436 793834699 /nfs/dbraw/zinc/83/46/99/793834699.db2.gz BRJDRKISQRLREK-UONOGXRCSA-N 1 0 301.394 2.269 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)cc1 ZINC001173760550 793841840 /nfs/dbraw/zinc/84/18/40/793841840.db2.gz XSZNMCUYEIZGEN-GOEBONIOSA-N 1 0 300.410 2.013 20 10 DECDRO CN(c1ccc(N)cc1)c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001175813626 794298670 /nfs/dbraw/zinc/29/86/70/794298670.db2.gz YMMSBXGYMQQSSC-UHFFFAOYSA-N 1 0 312.417 2.328 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cc(O)ccc1O ZINC001176748069 794486496 /nfs/dbraw/zinc/48/64/96/794486496.db2.gz IRMQYMXUJGBZIC-UHFFFAOYSA-N 1 0 306.387 2.151 20 10 DECDRO Fc1cc(C[NH2+]Cc2cnsc2)ccc1N1CCOCC1 ZINC001177334390 794643079 /nfs/dbraw/zinc/64/30/79/794643079.db2.gz QGVXRYGEOSSXED-UHFFFAOYSA-N 1 0 307.394 2.409 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCCn3ccnc3)CC2)cc1 ZINC001116474764 794958631 /nfs/dbraw/zinc/95/86/31/794958631.db2.gz JJXHBBDCEREXMP-UHFFFAOYSA-N 1 0 314.433 2.494 20 10 DECDRO C[NH2+][C@H](C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001117967481 795132634 /nfs/dbraw/zinc/13/26/34/795132634.db2.gz XZFXAQAXTJRFDX-GFCCVEGCSA-N 1 0 305.422 2.068 20 10 DECDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001118640930 795208718 /nfs/dbraw/zinc/20/87/18/795208718.db2.gz WNBJLLWZQXANCX-ZIAGYGMSSA-N 1 0 323.433 2.280 20 10 DECDRO COCC[C@]1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC001118804368 795228330 /nfs/dbraw/zinc/22/83/30/795228330.db2.gz INILATDHWVBOJQ-INIZCTEOSA-N 1 0 314.376 2.316 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)CF)[NH+](C)C)cc1 ZINC001119990907 795384505 /nfs/dbraw/zinc/38/45/05/795384505.db2.gz YWGIZJCCTUABMX-OAHLLOKOSA-N 1 0 324.444 2.403 20 10 DECDRO C[N@H+](C1CN(Cc2ccc(N3CCCC3)cc2)C1)[C@H]1CCOC1 ZINC001204320835 795604973 /nfs/dbraw/zinc/60/49/73/795604973.db2.gz BEHWUMWNOKFQJS-SFHVURJKSA-N 1 0 315.461 2.192 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC23CCC3)cc1F ZINC001121996576 795714619 /nfs/dbraw/zinc/71/46/19/795714619.db2.gz KXTFAMVGLRASTD-AWEZNQCLSA-N 1 0 319.424 2.288 20 10 DECDRO [NH3+]CCCSCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001122035057 795719923 /nfs/dbraw/zinc/71/99/23/795719923.db2.gz GFEQRVJFZIKIRK-UHFFFAOYSA-N 1 0 322.474 2.359 20 10 DECDRO Cc1cc(C(=O)NOC[C@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC001122075867 795723620 /nfs/dbraw/zinc/72/36/20/795723620.db2.gz SMFOFVLCJHRPFX-JTQLQIEISA-N 1 0 305.353 2.242 20 10 DECDRO CN(C(=O)c1cnc(C2CC[NH2+]CC2)o1)c1ccc(N)cc1 ZINC001122173093 795732415 /nfs/dbraw/zinc/73/24/15/795732415.db2.gz 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/nfs/dbraw/zinc/21/13/12/796211312.db2.gz CIHBWSUITYXIJZ-UHFFFAOYSA-N 1 0 315.421 2.149 20 10 DECDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499116 796227614 /nfs/dbraw/zinc/22/76/14/796227614.db2.gz XVMSRFZDHUWJTD-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO COc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139253982 796349940 /nfs/dbraw/zinc/34/99/40/796349940.db2.gz ADUJYHNBKWZCTJ-AEGPPILISA-N 1 0 308.397 2.252 20 10 DECDRO CN(Cc1ccno1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410940 796373105 /nfs/dbraw/zinc/37/31/05/796373105.db2.gz MXHSEOZYAZHFFA-UHFFFAOYSA-N 1 0 300.406 2.058 20 10 DECDRO Cc1cc(C[N@H+](C)C2CCS(=O)(=O)CC2)ccc1N(C)C ZINC001139673011 796407700 /nfs/dbraw/zinc/40/77/00/796407700.db2.gz NWTJEVMTBKCVET-UHFFFAOYSA-N 1 0 310.463 2.070 20 10 DECDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179710 796487834 /nfs/dbraw/zinc/48/78/34/796487834.db2.gz MYBVQDXGNQKVRO-OAHLLOKOSA-N 1 0 315.417 2.484 20 10 DECDRO Oc1cc(Cl)ccc1CN1CCN(c2cnccn2)CC1 ZINC001140461901 796525898 /nfs/dbraw/zinc/52/58/98/796525898.db2.gz XGYJIXHKVLAQOJ-UHFFFAOYSA-N 1 0 304.781 2.158 20 10 DECDRO CN1CC2(CC1=O)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464055 796526296 /nfs/dbraw/zinc/52/62/96/796526296.db2.gz AIKOPGYKHAPFNY-UHFFFAOYSA-N 1 0 308.809 2.490 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001140664585 796553011 /nfs/dbraw/zinc/55/30/11/796553011.db2.gz MOJXDXGFXOEZBR-YJBOKZPZSA-N 1 0 320.408 2.273 20 10 DECDRO FC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]12 ZINC001140664543 796553024 /nfs/dbraw/zinc/55/30/24/796553024.db2.gz KSAJVDVQLNLAIS-PHZGNYQRSA-N 1 0 308.372 2.310 20 10 DECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663369 796553656 /nfs/dbraw/zinc/55/36/56/796553656.db2.gz BWLAUYYDPAEXKD-CZUORRHYSA-N 1 0 308.397 2.008 20 10 DECDRO CCO[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)[C@@H]2CCCO[C@H]12 ZINC001140744985 796566580 /nfs/dbraw/zinc/56/65/80/796566580.db2.gz RTUJVIMWIYCTBO-UNEWFSDZSA-N 1 0 307.390 2.175 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001140850416 796583169 /nfs/dbraw/zinc/58/31/69/796583169.db2.gz KTKWATIUJQKESL-HIFRSBDPSA-N 1 0 310.413 2.391 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(OC)c1 ZINC001141026664 796620470 /nfs/dbraw/zinc/62/04/70/796620470.db2.gz YOOBEFCLYKBSMK-MQIPJXDCSA-N 1 0 307.390 2.409 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026252 796620533 /nfs/dbraw/zinc/62/05/33/796620533.db2.gz JGJDDEOYCWDUBM-SJCJKPOMSA-N 1 0 307.390 2.410 20 10 DECDRO CC[N@H+](CCCC(=O)OC)Cc1ccc2c(c1)OCCN2C ZINC001141140047 796637985 /nfs/dbraw/zinc/63/79/85/796637985.db2.gz HMPXYELLNKVQDP-UHFFFAOYSA-N 1 0 306.406 2.290 20 10 DECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143899 796638936 /nfs/dbraw/zinc/63/89/36/796638936.db2.gz MYWRJMYVDMKSAA-CQSZACIVSA-N 1 0 318.417 2.290 20 10 DECDRO CCCC[NH+]1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143268 796638965 /nfs/dbraw/zinc/63/89/65/796638965.db2.gz RSPQFUOLTZKTMV-UHFFFAOYSA-N 1 0 303.450 2.433 20 10 DECDRO C[NH+](C)CCCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001150983580 796997275 /nfs/dbraw/zinc/99/72/75/796997275.db2.gz XZXKWICKGNCERZ-UHFFFAOYSA-N 1 0 320.433 2.221 20 10 DECDRO CC(C)[C@H](C(=O)NCc1c(O)cccc1O)[NH+]1CCCCC1 ZINC001156881057 798099619 /nfs/dbraw/zinc/09/96/19/798099619.db2.gz NOCOYZWSABZXHD-MRXNPFEDSA-N 1 0 306.406 2.225 20 10 DECDRO O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552074 800079012 /nfs/dbraw/zinc/07/90/12/800079012.db2.gz ZAXHOUOYGNKAMT-XLIONFOSSA-N 1 0 322.408 2.498 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c1O ZINC001203602017 800087867 /nfs/dbraw/zinc/08/78/67/800087867.db2.gz WTLHDKUVKFKFON-AWEZNQCLSA-N 1 0 321.421 2.073 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1O ZINC001203608391 800089038 /nfs/dbraw/zinc/08/90/38/800089038.db2.gz OAMHOKZPWRQADG-GOSISDBHSA-N 1 0 318.417 2.426 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001203614001 800090010 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CN(C)c1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001203937325 800148495 /nfs/dbraw/zinc/14/84/95/800148495.db2.gz UYHJCXUNQYNZTJ-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO CN(C)c1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001203937324 800148887 /nfs/dbraw/zinc/14/88/87/800148887.db2.gz UYHJCXUNQYNZTJ-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OCC(=O)OC)C2)cc1 ZINC001203945364 800149782 /nfs/dbraw/zinc/14/97/82/800149782.db2.gz LEBZJZYDMZAIMS-KRWDZBQOSA-N 1 0 320.433 2.297 20 10 DECDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278073 800199085 /nfs/dbraw/zinc/19/90/85/800199085.db2.gz SAZPXLOMTFQWNT-CQSZACIVSA-N 1 0 316.357 2.155 20 10 DECDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278064 800199403 /nfs/dbraw/zinc/19/94/03/800199403.db2.gz RLVUFUMQIOLUGB-UHFFFAOYSA-N 1 0 306.406 2.225 20 10 DECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001204298471 800202238 /nfs/dbraw/zinc/20/22/38/800202238.db2.gz GRGDPMNPAPMQJB-HNNXBMFYSA-N 1 0 319.401 2.484 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001204328783 800205364 /nfs/dbraw/zinc/20/53/64/800205364.db2.gz MUCHPXGOQGNDHG-UHFFFAOYSA-N 1 0 323.444 2.399 20 10 DECDRO COCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204327811 800205561 /nfs/dbraw/zinc/20/55/61/800205561.db2.gz JBYOFWUJONDIAV-UHFFFAOYSA-N 1 0 303.450 2.051 20 10 DECDRO COc1cc(CN2CC[C@@](C)([NH3+])C2)c(O)cc1Br ZINC001204801170 800259078 /nfs/dbraw/zinc/25/90/78/800259078.db2.gz KQJLIVWUPTXASX-CYBMUJFWSA-N 1 0 315.211 2.086 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934263142 800303744 /nfs/dbraw/zinc/30/37/44/800303744.db2.gz BITVZLKARFUSBC-MOPGFXCFSA-N 1 0 317.477 2.174 20 10 DECDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c(O)c1 ZINC001205710497 800406594 /nfs/dbraw/zinc/40/65/94/800406594.db2.gz DRHUEBRIARUHBV-UHFFFAOYSA-N 1 0 314.385 2.440 20 10 DECDRO [NH3+]C[C@]1(O)CCCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001205725396 800408659 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CC[NH+]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232198610 801815125 /nfs/dbraw/zinc/81/51/25/801815125.db2.gz XZUIPRSYFAQROY-UHFFFAOYSA-N 1 0 323.868 2.314 20 10 DECDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232259243 801832040 /nfs/dbraw/zinc/83/20/40/801832040.db2.gz HZUUKBYUPYGLQP-CQSZACIVSA-N 1 0 303.761 2.438 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268395 801834090 /nfs/dbraw/zinc/83/40/90/801834090.db2.gz OZXBEBUNDCYTBK-GXSJLCMTSA-N 1 0 313.781 2.382 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)cc1Cl ZINC001232271100 801836544 /nfs/dbraw/zinc/83/65/44/801836544.db2.gz NDIOPWIWARZNSO-GFCCVEGCSA-N 1 0 312.797 2.107 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c2ccccc2n1C ZINC001232406114 801872380 /nfs/dbraw/zinc/87/23/80/801872380.db2.gz UPGFIMRHZXJMKV-QWHCGFSZSA-N 1 0 316.401 2.310 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)cc1 ZINC001232544187 801913649 /nfs/dbraw/zinc/91/36/49/801913649.db2.gz 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COc1cc(C)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC001663946744 1080841589 /nfs/dbraw/zinc/84/15/89/1080841589.db2.gz QJKCRFZAVJVHOV-CQSZACIVSA-N 1 0 318.417 2.296 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001674632386 1081895748 /nfs/dbraw/zinc/89/57/48/1081895748.db2.gz AKDVJQQMNCXZPO-STQMWFEESA-N 1 0 316.405 2.023 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(F)F)cc1C ZINC001482806492 1082513320 /nfs/dbraw/zinc/51/33/20/1082513320.db2.gz YOXNJQMKAQUXJT-LLVKDONJSA-N 1 0 300.349 2.253 20 10 DECDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(O)c(O)c1Cl)C2 ZINC001276527365 1083480898 /nfs/dbraw/zinc/48/08/98/1083480898.db2.gz LNHFBSIZGPCZNG-MRXNPFEDSA-N 1 0 324.808 2.309 20 10 DECDRO CN1CC2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001276635248 1083526980 /nfs/dbraw/zinc/52/69/80/1083526980.db2.gz DBVMDXKDPVANEQ-UHFFFAOYSA-N 1 0 315.461 2.051 20 10 DECDRO CCc1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276805550 1083623187 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C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC[N@@H+]1C ZINC001235303590 1084379700 /nfs/dbraw/zinc/37/97/00/1084379700.db2.gz OQBNCDYUEULHMU-SECBINFHSA-N 1 0 317.202 2.430 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001235674467 1084496526 /nfs/dbraw/zinc/49/65/26/1084496526.db2.gz GHOQLAYAAGZRTH-FUHWJXTLSA-N 1 0 307.434 2.255 20 10 DECDRO COCCCN(Cc1cc(F)cc(C)c1O)[C@H]1CCC[NH2+]C1 ZINC001235808520 1084535277 /nfs/dbraw/zinc/53/52/77/1084535277.db2.gz DPECTVLSNNYZAH-INIZCTEOSA-N 1 0 310.413 2.430 20 10 DECDRO Cc1cc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)cc1Br ZINC001235998643 1084586130 /nfs/dbraw/zinc/58/61/30/1084586130.db2.gz YIJQMNVLJRIDOK-RISCZKNCSA-N 1 0 311.223 2.386 20 10 DECDRO Cc1cc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)cc1Br ZINC001235998644 1084587101 /nfs/dbraw/zinc/58/71/01/1084587101.db2.gz YIJQMNVLJRIDOK-SMDDNHRTSA-N 1 0 311.223 2.386 20 10 DECDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)[C@@H](C)C[NH2+]1 ZINC001236079747 1084608362 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CCN(CC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC001236756736 1138410170 /nfs/dbraw/zinc/41/01/70/1138410170.db2.gz RGTHUBQYRROQQU-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO CN(Cc1ccncn1)Cc1cc(O)c(Br)cc1O ZINC001236764791 1138418513 /nfs/dbraw/zinc/41/85/13/1138418513.db2.gz KZJZAOOEUGMRRD-UHFFFAOYSA-N 1 0 324.178 2.282 20 10 DECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236769580 1138422896 /nfs/dbraw/zinc/42/28/96/1138422896.db2.gz WFIPILHENXKLEE-WPRPVWTQSA-N 1 0 316.195 2.063 20 10 DECDRO CCc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COC)C2)c(O)c1 ZINC001236788483 1138428825 /nfs/dbraw/zinc/42/88/25/1138428825.db2.gz KLQHNFHPLWWUDH-HNNXBMFYSA-N 1 0 315.417 2.430 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)C[C@@H]1C ZINC001236806654 1138433089 /nfs/dbraw/zinc/43/30/89/1138433089.db2.gz YOUBNWAMQAQTEF-ONGXEEELSA-N 1 0 313.781 2.295 20 10 DECDRO CCC(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812875 1138436890 /nfs/dbraw/zinc/43/68/90/1138436890.db2.gz GKXOHSHNTIOCPQ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/83/13/15/1138831315.db2.gz MPXOHRJHPUJKMN-UHFFFAOYSA-N 1 0 312.417 2.254 20 10 DECDRO COc1ccc(CNC(=O)C2CC[NH+](CC(C)C)CC2)c(O)c1 ZINC001296968814 1139834735 /nfs/dbraw/zinc/83/47/35/1139834735.db2.gz SCVWRHHELAZFAR-UHFFFAOYSA-N 1 0 320.433 2.385 20 10 DECDRO Cc1cc(CN2CCC[N@H+](Cc3ccccc3O)CC2)no1 ZINC001319905383 1140801684 /nfs/dbraw/zinc/80/16/84/1140801684.db2.gz OOFKUHZEIYUARN-UHFFFAOYSA-N 1 0 301.390 2.397 20 10 DECDRO O=C1c2ccccc2-c2cccc(NC[C@@]3(O)CCC[NH2+]C3)c21 ZINC001245968265 1140839432 /nfs/dbraw/zinc/83/94/32/1140839432.db2.gz UTYJQOHGIBTQFB-LJQANCHMSA-N 1 0 308.381 2.424 20 10 DECDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320667668 1140891790 /nfs/dbraw/zinc/89/17/90/1140891790.db2.gz CBFFBPATJUIZRW-GJZGRUSLSA-N 1 0 308.397 2.319 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC2(F)F)cc1C ZINC001321512434 1141296854 /nfs/dbraw/zinc/29/68/54/1141296854.db2.gz XRTXEQUNJJEEPM-DGCLKSJQSA-N 1 0 312.360 2.253 20 10 DECDRO COC(=O)N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC001322280276 1141501710 /nfs/dbraw/zinc/50/17/10/1141501710.db2.gz UKMXVTSNLOXMQL-UHFFFAOYSA-N 1 0 315.373 2.215 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(O)c1 ZINC001249178061 1141857485 /nfs/dbraw/zinc/85/74/85/1141857485.db2.gz OZJKTACSZMCHBO-SFHVURJKSA-N 1 0 319.401 2.110 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001249201439 1141858926 /nfs/dbraw/zinc/85/89/26/1141858926.db2.gz SKWUNHOFFUESQW-GFCCVEGCSA-N 1 0 317.307 2.492 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(O)cc1Br ZINC001250117845 1142083416 /nfs/dbraw/zinc/08/34/16/1142083416.db2.gz UIKWRMMJZCIEQJ-LLVKDONJSA-N 1 0 300.196 2.420 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001336162646 1142369558 /nfs/dbraw/zinc/36/95/58/1142369558.db2.gz GHDAJHUUNGGYPC-UKRRQHHQSA-N 1 0 305.422 2.312 20 10 DECDRO Nc1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC001336226328 1142381305 /nfs/dbraw/zinc/38/13/05/1142381305.db2.gz ZZKAXLXKIBAQHA-UHFFFAOYSA-N 1 0 316.449 2.475 20 10 DECDRO Oc1cccc2c1C[N@H+](C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC001251931073 1142551058 /nfs/dbraw/zinc/55/10/58/1142551058.db2.gz UFFHBJZCHPFUFL-OAHLLOKOSA-N 1 0 317.360 2.329 20 10 DECDRO CC[NH+](CC)C[C@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001253203590 1142853593 /nfs/dbraw/zinc/85/35/93/1142853593.db2.gz IWCYZPOJTDVXMN-GOSISDBHSA-N 1 0 305.466 2.079 20 10 DECDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253706078 1142894639 /nfs/dbraw/zinc/89/46/39/1142894639.db2.gz IIOJOVZKNPENDW-INIZCTEOSA-N 1 0 317.385 2.338 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3CCCOC3)CC2)c(OC)c1 ZINC001254387174 1143097231 /nfs/dbraw/zinc/09/72/31/1143097231.db2.gz AEXMRJFRVKYKMP-CQSZACIVSA-N 1 0 306.406 2.005 20 10 DECDRO COc1ccc(N2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC001255047150 1143394331 /nfs/dbraw/zinc/39/43/31/1143394331.db2.gz KRGTYSXCDXRGKX-UHFFFAOYSA-N 1 0 306.406 2.005 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)CC(C)(C)C[NH3+])C2)cc1 ZINC001341147703 1143550552 /nfs/dbraw/zinc/55/05/52/1143550552.db2.gz UPNWULHXWBCUEP-AWEZNQCLSA-N 1 0 319.449 2.013 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C)n1-c1ccccn1 ZINC001342184423 1143801832 /nfs/dbraw/zinc/80/18/32/1143801832.db2.gz WVVWESMJGNWHJQ-NUEKZKHPSA-N 1 0 310.401 2.112 20 10 DECDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC001342333682 1143811898 /nfs/dbraw/zinc/81/18/98/1143811898.db2.gz QWYCFOOCYFJFRG-GOSISDBHSA-N 1 0 311.385 2.041 20 10 DECDRO Nc1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001342698198 1143831155 /nfs/dbraw/zinc/83/11/55/1143831155.db2.gz BASUJMPIEHWHQW-QGZVFWFLSA-N 1 0 309.413 2.407 20 10 DECDRO Oc1cccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c1O ZINC001256583769 1143855497 /nfs/dbraw/zinc/85/54/97/1143855497.db2.gz OTBRCRFSFBLHNW-UHFFFAOYSA-N 1 0 313.401 2.247 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@H]2C1 ZINC001262488285 1144315606 /nfs/dbraw/zinc/31/56/06/1144315606.db2.gz XBPHAPMOEPRKNV-WOSRLPQWSA-N 1 0 302.422 2.463 20 10 DECDRO COCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001264382292 1144522980 /nfs/dbraw/zinc/52/29/80/1144522980.db2.gz ILUDPRDGJXVEAF-IYBDPMFKSA-N 1 0 320.433 2.025 20 10 DECDRO CC[N@H+](C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001308175796 1147451763 /nfs/dbraw/zinc/45/17/63/1147451763.db2.gz HXSLHZWTGLSVLH-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1F ZINC001308269588 1147462743 /nfs/dbraw/zinc/46/27/43/1147462743.db2.gz NXEPHCDVRDHDIF-GFCCVEGCSA-N 1 0 316.442 2.195 20 10 DECDRO C[N@@H+]1CCn2nc(NCc3cc(Cl)cc(F)c3O)cc2C1 ZINC001308497897 1147477385 /nfs/dbraw/zinc/47/73/85/1147477385.db2.gz JPVPLNAVDLGUNP-UHFFFAOYSA-N 1 0 310.760 2.439 20 10 DECDRO Cc1cc(N(C)C)ccc1CNCc1ccc(S(C)(=O)=O)o1 ZINC001325239625 1147886859 /nfs/dbraw/zinc/88/68/59/1147886859.db2.gz OEJDJNDPSHWMDE-UHFFFAOYSA-N 1 0 322.430 2.347 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377770022 529780135 /nfs/dbraw/zinc/78/01/35/529780135.db2.gz AJOFWRDXJRSHJW-ZWKOTPCHSA-N 1 0 315.461 2.347 20 10 DECDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000072916226 191251750 /nfs/dbraw/zinc/25/17/50/191251750.db2.gz KOCGBMWKGKVYHG-UHFFFAOYSA-N 1 0 321.380 2.197 20 10 DECDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c(C)n1-c1ccccn1 ZINC000068064592 354793632 /nfs/dbraw/zinc/79/36/32/354793632.db2.gz JFJLKBZATNYVOV-CYBMUJFWSA-N 1 0 300.406 2.169 20 10 DECDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4ccc(F)cc43)c21 ZINC000592516679 357892185 /nfs/dbraw/zinc/89/21/85/357892185.db2.gz VLXHIODSPTZWNA-GFCCVEGCSA-N 1 0 314.364 2.061 20 10 DECDRO COC[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)OC ZINC000273481911 130125751 /nfs/dbraw/zinc/12/57/51/130125751.db2.gz UUXVTBFDUYENHN-KOLCDFICSA-N 1 0 318.211 2.467 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@]12CCCO2 ZINC000273641402 130148021 /nfs/dbraw/zinc/14/80/21/130148021.db2.gz USTRMKBBZQYVQA-ZMSDIMECSA-N 1 0 307.390 2.217 20 10 DECDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000284586399 131094715 /nfs/dbraw/zinc/09/47/15/131094715.db2.gz ZLJPBYUUADPMOA-OAHLLOKOSA-N 1 0 314.433 2.416 20 10 DECDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1C ZINC000285380171 131162403 /nfs/dbraw/zinc/16/24/03/131162403.db2.gz CPTFLJHXMKRHFS-UHFFFAOYSA-N 1 0 311.447 2.451 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000285488655 131173667 /nfs/dbraw/zinc/17/36/67/131173667.db2.gz LWLRQIXNDKVOAU-MRXNPFEDSA-N 1 0 317.433 2.470 20 10 DECDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(Br)cc1O ZINC000287385904 131278200 /nfs/dbraw/zinc/27/82/00/131278200.db2.gz PTMXZGVYKGGTOW-QMMMGPOBSA-N 1 0 311.183 2.134 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCC(=O)NC(C)C)CC2)cc1 ZINC000133823602 401894934 /nfs/dbraw/zinc/89/49/34/401894934.db2.gz VCULHEVQVFPJAI-UHFFFAOYSA-N 1 0 319.449 2.168 20 10 DECDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093610414 402017039 /nfs/dbraw/zinc/01/70/39/402017039.db2.gz LYAKINUXWLFMTF-OAHLLOKOSA-N 1 0 308.447 2.233 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCOC1 ZINC000151565210 402043665 /nfs/dbraw/zinc/04/36/65/402043665.db2.gz LWMYYEQVBZPVQZ-MAUKXSAKSA-N 1 0 318.461 2.410 20 10 DECDRO COc1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1O ZINC000121647964 402047692 /nfs/dbraw/zinc/04/76/92/402047692.db2.gz GYMAJUZOCOZIHF-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO CN(C)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1F ZINC000126318123 402275064 /nfs/dbraw/zinc/27/50/64/402275064.db2.gz WHXOTXBTYMJYAZ-UHFFFAOYSA-N 1 0 323.456 2.170 20 10 DECDRO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184681791 402291291 /nfs/dbraw/zinc/29/12/91/402291291.db2.gz BJBSBVGAKYHQDW-UHFFFAOYSA-N 1 0 300.786 2.142 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176557186 402319351 /nfs/dbraw/zinc/31/93/51/402319351.db2.gz OCUJWYXOIOTPKR-GJZGRUSLSA-N 1 0 305.422 2.406 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c1 ZINC000185577911 402362639 /nfs/dbraw/zinc/36/26/39/402362639.db2.gz VEVSGCANNUCLBE-CYBMUJFWSA-N 1 0 314.385 2.416 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(O)c1O ZINC000177677226 402425700 /nfs/dbraw/zinc/42/57/00/402425700.db2.gz DQJAJYYIBIQMHU-CYBMUJFWSA-N 1 0 306.406 2.256 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186485784 402435380 /nfs/dbraw/zinc/43/53/80/402435380.db2.gz XOYNQLJGVZWQHW-UHFFFAOYSA-N 1 0 309.431 2.499 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)c1cccs1 ZINC000186766106 402462576 /nfs/dbraw/zinc/46/25/76/402462576.db2.gz ZRGRLLUAHILZPF-NSHDSACASA-N 1 0 306.387 2.192 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070523 402472589 /nfs/dbraw/zinc/47/25/89/402472589.db2.gz YGQDFCKKYATBSK-YOEHRIQHSA-N 1 0 319.449 2.041 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000166474860 402485274 /nfs/dbraw/zinc/48/52/74/402485274.db2.gz ULRZFRYYHMIMGH-CVEARBPZSA-N 1 0 301.434 2.203 20 10 DECDRO O=C1NCCN(Cc2cc(F)ccc2O)[C@H]1c1ccccc1 ZINC000180014549 402604806 /nfs/dbraw/zinc/60/48/06/402604806.db2.gz UMKXBKULBKQFDT-INIZCTEOSA-N 1 0 300.333 2.204 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1F ZINC000172672182 402669551 /nfs/dbraw/zinc/66/95/51/402669551.db2.gz PDCCXZOBPZAXAJ-UHFFFAOYSA-N 1 0 310.413 2.303 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cc1F ZINC000192524577 402734456 /nfs/dbraw/zinc/73/44/56/402734456.db2.gz SUSKXCMQWLVVJX-GOSISDBHSA-N 1 0 315.392 2.382 20 10 DECDRO COc1c([O-])c(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278294428 402862425 /nfs/dbraw/zinc/86/24/25/402862425.db2.gz VCYYWFNUOQSQDT-UHFFFAOYSA-N 1 0 323.393 2.083 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000281685598 403082055 /nfs/dbraw/zinc/08/20/55/403082055.db2.gz BDAASZOUUQMVBX-FQEVSTJZSA-N 1 0 317.838 2.445 20 10 DECDRO CCN(C)c1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268801025 403115286 /nfs/dbraw/zinc/11/52/86/403115286.db2.gz BABMFRJQPZFCCN-YJBOKZPZSA-N 1 0 305.466 2.250 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905398 403120626 /nfs/dbraw/zinc/12/06/26/403120626.db2.gz LSMMOVHZADFFMH-QZTJIDSGSA-N 1 0 304.482 2.039 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1O ZINC000269736079 403162366 /nfs/dbraw/zinc/16/23/66/403162366.db2.gz VZSURKQANMFFCQ-OAHLLOKOSA-N 1 0 318.417 2.424 20 10 DECDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCCF ZINC000282904274 403163540 /nfs/dbraw/zinc/16/35/40/403163540.db2.gz WXEHREDCBFZCEQ-VXGBXAGGSA-N 1 0 308.397 2.396 20 10 DECDRO Cc1cc(N2CCC([NH2+]Cc3cc(F)ccc3O)CC2)n[nH]1 ZINC000276135577 403148296 /nfs/dbraw/zinc/14/82/96/403148296.db2.gz ZSOBISOCNREXNV-UHFFFAOYSA-N 1 0 304.369 2.321 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624261 403151289 /nfs/dbraw/zinc/15/12/89/403151289.db2.gz CADAGMDBHOSXPP-INIZCTEOSA-N 1 0 302.330 2.466 20 10 DECDRO CC1CC[NH+](CCCCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276622364 403191726 /nfs/dbraw/zinc/19/17/26/403191726.db2.gz RDALOTHHVGHPCI-UHFFFAOYSA-N 1 0 324.396 2.479 20 10 DECDRO CCOC(=O)CC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000298325543 403358182 /nfs/dbraw/zinc/35/81/82/403358182.db2.gz VPDVZWNCHGRZKF-UHFFFAOYSA-N 1 0 321.373 2.286 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000292551744 403369896 /nfs/dbraw/zinc/36/98/96/403369896.db2.gz SPJYMYFSZYQDJJ-DOTOQJQBSA-N 1 0 324.428 2.313 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000293892444 403591970 /nfs/dbraw/zinc/59/19/70/403591970.db2.gz KLWIGKSCKDFKAB-MRXNPFEDSA-N 1 0 301.386 2.436 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc2c(cc1O)CCCC2 ZINC000293979969 403614952 /nfs/dbraw/zinc/61/49/52/403614952.db2.gz BHVCUEASQBYIGH-MAZHCROVSA-N 1 0 305.418 2.462 20 10 DECDRO Cc1cc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)ccc1N(C)C ZINC000294106485 403649734 /nfs/dbraw/zinc/64/97/34/403649734.db2.gz MSIKIFNQCRRVBE-MRXNPFEDSA-N 1 0 301.434 2.352 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC000295121089 403766178 /nfs/dbraw/zinc/76/61/78/403766178.db2.gz WUBUBODREPTJTR-MRXNPFEDSA-N 1 0 304.434 2.116 20 10 DECDRO CN(C)C(=O)C1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000295011746 403739534 /nfs/dbraw/zinc/73/95/34/403739534.db2.gz MCSHHLCQVVVDBD-UHFFFAOYSA-N 1 0 320.389 2.002 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CF)CC2)cc1 ZINC000295070545 403750925 /nfs/dbraw/zinc/75/09/25/403750925.db2.gz CXHGKSUGLKLPQJ-UHFFFAOYSA-N 1 0 307.413 2.050 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1C ZINC000295292023 403836537 /nfs/dbraw/zinc/83/65/37/403836537.db2.gz UKASXAWYANTHMY-VQFNDLOPSA-N 1 0 309.413 2.350 20 10 DECDRO CC[C@H](C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000295294058 403837324 /nfs/dbraw/zinc/83/73/24/403837324.db2.gz UNUCGKNPCQMAEV-ZDUSSCGKSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368962879 403916399 /nfs/dbraw/zinc/91/63/99/403916399.db2.gz FICCDEFMJCYFMU-WFBYXXMGSA-N 1 0 324.808 2.140 20 10 DECDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000296342285 404204861 /nfs/dbraw/zinc/20/48/61/404204861.db2.gz NFILPJYQZHOOOC-HNNXBMFYSA-N 1 0 318.465 2.378 20 10 DECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000296452755 404254186 /nfs/dbraw/zinc/25/41/86/404254186.db2.gz MUQLIFJFOZFDJF-ONGXEEELSA-N 1 0 320.842 2.024 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000290819876 404325873 /nfs/dbraw/zinc/32/58/73/404325873.db2.gz GTIGSRNCMGYHIX-AWEZNQCLSA-N 1 0 317.389 2.361 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000290819880 404325967 /nfs/dbraw/zinc/32/59/67/404325967.db2.gz GTIGSRNCMGYHIX-CQSZACIVSA-N 1 0 317.389 2.361 20 10 DECDRO c1[nH]c2nccnc2c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000290956240 404368469 /nfs/dbraw/zinc/36/84/69/404368469.db2.gz VSOQQZJBBMHLNS-UHFFFAOYSA-N 1 0 323.400 2.084 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000291789113 404522017 /nfs/dbraw/zinc/52/20/17/404522017.db2.gz VVMRTKOQZXBJHU-GDBMZVCRSA-N 1 0 309.431 2.067 20 10 DECDRO COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000367228547 404974389 /nfs/dbraw/zinc/97/43/89/404974389.db2.gz KPCCJPYILNNCQV-CQSZACIVSA-N 1 0 306.406 2.080 20 10 DECDRO CC(C)CC[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638134906 406587470 /nfs/dbraw/zinc/58/74/70/406587470.db2.gz XBLSHEAQKNCQCS-AWEZNQCLSA-N 1 0 305.422 2.242 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173743 227183684 /nfs/dbraw/zinc/18/36/84/227183684.db2.gz BBUFGILEMZVXSR-HNNXBMFYSA-N 1 0 302.418 2.453 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1C ZINC000377831114 227202258 /nfs/dbraw/zinc/20/22/58/227202258.db2.gz JWSRCKMFWQDBGE-HNNXBMFYSA-N 1 0 300.406 2.111 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834904961 649859269 /nfs/dbraw/zinc/85/92/69/649859269.db2.gz CUZHNABMJOENPF-UGSOOPFHSA-N 1 0 322.424 2.474 20 10 DECDRO COCCN1CC[C@@H]([NH2+]Cc2c(C)c3ccccc3n2C)C1 ZINC000355125264 274033092 /nfs/dbraw/zinc/03/30/92/274033092.db2.gz PYPADXZFUFCZGO-OAHLLOKOSA-N 1 0 301.434 2.297 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)c1 ZINC001348901042 1151207724 /nfs/dbraw/zinc/20/77/24/1151207724.db2.gz SXFUIQUCLXMATO-SQWLQELKSA-N 1 0 302.418 2.437 20 10 DECDRO CCOCC[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025614 649867888 /nfs/dbraw/zinc/86/78/88/649867888.db2.gz LLODVQUOGJEODB-AATRIKPKSA-N 1 0 317.477 2.420 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000187826867 533952998 /nfs/dbraw/zinc/95/29/98/533952998.db2.gz SOFMUMHKMZHYBG-UGZDLDLSSA-N 1 0 305.827 2.253 20 10 DECDRO CC[C@@H](CO)[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835029265 649869023 /nfs/dbraw/zinc/86/90/23/649869023.db2.gz RWODLWNBRZDIOP-XFHJGTJQSA-N 1 0 317.477 2.154 20 10 DECDRO CC(C)COC[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034841 649869393 /nfs/dbraw/zinc/86/93/93/649869393.db2.gz FQSYGPWQMOEWAI-OOFWQKGWSA-N 1 0 306.450 2.389 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1F ZINC000237083153 522200194 /nfs/dbraw/zinc/20/01/94/522200194.db2.gz WJPUNVZXFVLGFP-HNNXBMFYSA-N 1 0 315.392 2.250 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1OC ZINC000182461953 522777239 /nfs/dbraw/zinc/77/72/39/522777239.db2.gz SPFYCCOTZLVQBJ-GFCCVEGCSA-N 1 0 319.405 2.340 20 10 DECDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000266191988 527633106 /nfs/dbraw/zinc/63/31/06/527633106.db2.gz IXXKHCSRCKTDGE-UHFFFAOYSA-N 1 0 320.364 2.037 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000295315814 535184532 /nfs/dbraw/zinc/18/45/32/535184532.db2.gz YRKITHNXIPGAQU-HOCLYGCPSA-N 1 0 320.433 2.288 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000835041154 649870326 /nfs/dbraw/zinc/87/03/26/649870326.db2.gz WHJVWCKJLNSSQP-XETQRACLSA-N 1 0 301.434 2.400 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000835055188 649872944 /nfs/dbraw/zinc/87/29/44/649872944.db2.gz WNDVXNPMWPEWRP-XQRVVYSFSA-N 1 0 322.474 2.323 20 10 DECDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1O ZINC000835074679 649875800 /nfs/dbraw/zinc/87/58/00/649875800.db2.gz LMFQVOFSUUMHIM-UHFFFAOYSA-N 1 0 303.406 2.391 20 10 DECDRO CC(C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756336790 598208742 /nfs/dbraw/zinc/20/87/42/598208742.db2.gz OXTAZWVHCINCIK-KRWDZBQOSA-N 1 0 319.449 2.027 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@]2(C)CCOC2)c1O ZINC000120128320 622598099 /nfs/dbraw/zinc/59/80/99/622598099.db2.gz ZPXYBHRZMCSIEN-CYBMUJFWSA-N 1 0 316.195 2.432 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1O ZINC000892785701 625602764 /nfs/dbraw/zinc/60/27/64/625602764.db2.gz URCUGXTYMDOSHZ-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3CC3)C2)cc1C ZINC001026635383 625602736 /nfs/dbraw/zinc/60/27/36/625602736.db2.gz UKYKJILFZLDYTK-OAHLLOKOSA-N 1 0 302.418 2.352 20 10 DECDRO F[C@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc3c(c1)CCO3)OCCO2 ZINC000892794835 625614560 /nfs/dbraw/zinc/61/45/60/625614560.db2.gz XGSMVJIEPSSVQP-GJZGRUSLSA-N 1 0 307.365 2.345 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000891249905 623794937 /nfs/dbraw/zinc/79/49/37/623794937.db2.gz UHYSMOZCDBOLTM-KGLIPLIRSA-N 1 0 311.376 2.127 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCS2)[NH+](C)C)cc1 ZINC000891253086 623798395 /nfs/dbraw/zinc/79/83/95/623798395.db2.gz QKBSIFJPNLZMNE-HZPDHXFCSA-N 1 0 321.490 2.367 20 10 DECDRO CCC[C@H](O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253442 623799373 /nfs/dbraw/zinc/79/93/73/623799373.db2.gz SLUJFOJUBJKUCS-DLBZAZTESA-N 1 0 321.465 2.023 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933671262 624594616 /nfs/dbraw/zinc/59/46/16/624594616.db2.gz XDTMPXKHQGZQCB-AEFFLSMTSA-N 1 0 304.434 2.380 20 10 DECDRO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(O)c1O ZINC000177676883 625056058 /nfs/dbraw/zinc/05/60/58/625056058.db2.gz HXMOBARTHAGUDL-ZDUSSCGKSA-N 1 0 306.406 2.256 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)CO ZINC000926726234 625091946 /nfs/dbraw/zinc/09/19/46/625091946.db2.gz YZSZUOSFYNNBTG-AWEZNQCLSA-N 1 0 306.450 2.144 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000725850228 625132373 /nfs/dbraw/zinc/13/23/73/625132373.db2.gz RXZAYHYGAPIRDQ-UHFFFAOYSA-N 1 0 304.321 2.268 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892581429 625167241 /nfs/dbraw/zinc/16/72/41/625167241.db2.gz FZDTXMIRKLLYCG-SHTZXODSSA-N 1 0 304.438 2.021 20 10 DECDRO COc1ccc(N2CCC(NC(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000102382276 650069795 /nfs/dbraw/zinc/06/97/95/650069795.db2.gz WDUCEBJBTBZRKJ-UHFFFAOYSA-N 1 0 319.449 2.120 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000162269131 632953934 /nfs/dbraw/zinc/95/39/34/632953934.db2.gz ZAWZCLNYAGVNBN-LSDHHAIUSA-N 1 0 312.417 2.489 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000734286016 633355630 /nfs/dbraw/zinc/35/56/30/633355630.db2.gz XWZDNFKARMHQHA-HNNXBMFYSA-N 1 0 316.449 2.131 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]2)cc1F ZINC000121466914 650128060 /nfs/dbraw/zinc/12/80/60/650128060.db2.gz NZDXZSZRHHKNBN-KRWDZBQOSA-N 1 0 307.413 2.430 20 10 DECDRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921667289 634317405 /nfs/dbraw/zinc/31/74/05/634317405.db2.gz OHSGHYMJOQUQMQ-KRWDZBQOSA-N 1 0 304.434 2.212 20 10 DECDRO CN(C)C(=O)[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840957967 635730571 /nfs/dbraw/zinc/73/05/71/635730571.db2.gz NNIGUWCLIQZRHL-KJPDOMRESA-N 1 0 301.434 2.176 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1OC ZINC000893668705 635744094 /nfs/dbraw/zinc/74/40/94/635744094.db2.gz GSOLWYVVHIZZLH-OAHLLOKOSA-N 1 0 317.385 2.103 20 10 DECDRO c1cc2c(cc1C[NH2+]C1CCN([C@H]3CCOC3)CC1)CCCO2 ZINC000922261095 636047573 /nfs/dbraw/zinc/04/75/73/636047573.db2.gz NYHIPCKCWJUKJT-SFHVURJKSA-N 1 0 316.445 2.355 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000893902681 636058795 /nfs/dbraw/zinc/05/87/95/636058795.db2.gz LLWVIPOFWMQCLV-MRXNPFEDSA-N 1 0 320.433 2.006 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c(O)c1OC ZINC000893912838 636064119 /nfs/dbraw/zinc/06/41/19/636064119.db2.gz KIYICQQNKPIYEY-OUCADQQQSA-N 1 0 309.406 2.391 20 10 DECDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726244001 636418626 /nfs/dbraw/zinc/41/86/26/636418626.db2.gz FKQKCINLTFIVDO-ZDUSSCGKSA-N 1 0 324.444 2.421 20 10 DECDRO c1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc2c1OCC2 ZINC000922814335 636419102 /nfs/dbraw/zinc/41/91/02/636419102.db2.gz RCZFGWCYONTCAN-INIZCTEOSA-N 1 0 303.402 2.439 20 10 DECDRO COC[C@H](C)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894207971 636434908 /nfs/dbraw/zinc/43/49/08/636434908.db2.gz BXHFPNKZXLIVRF-LLVKDONJSA-N 1 0 322.380 2.476 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000073915869 636566520 /nfs/dbraw/zinc/56/65/20/636566520.db2.gz RPMOOUGEKPJSKG-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237135261 636727490 /nfs/dbraw/zinc/72/74/90/636727490.db2.gz WFCBVPVJPJXWAV-UHFFFAOYSA-N 1 0 324.396 2.094 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@]2(N(C)C)CCSC2)c1O ZINC000894323402 636845222 /nfs/dbraw/zinc/84/52/22/636845222.db2.gz FWDFBTKDQXLQLN-MRXNPFEDSA-N 1 0 310.463 2.236 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000922992734 636901499 /nfs/dbraw/zinc/90/14/99/636901499.db2.gz YJYKWZGIBRWNEG-MBVDDHJVSA-N 1 0 311.433 2.041 20 10 DECDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)C[NH2+]1 ZINC000841856660 636928801 /nfs/dbraw/zinc/92/88/01/636928801.db2.gz JZCVEAUGSSLKBE-QWRGUYRKSA-N 1 0 314.480 2.017 20 10 DECDRO CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894572945 637111900 /nfs/dbraw/zinc/11/19/00/637111900.db2.gz MHJCKHWQRJQLBU-GFCCVEGCSA-N 1 0 319.373 2.070 20 10 DECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894857363 637262949 /nfs/dbraw/zinc/26/29/49/637262949.db2.gz GKQQQEJZQORHTB-AWEZNQCLSA-N 1 0 311.353 2.042 20 10 DECDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1COCO1 ZINC000894876416 637282657 /nfs/dbraw/zinc/28/26/57/637282657.db2.gz RFEQSHKKNHGUIN-QGZVFWFLSA-N 1 0 315.369 2.434 20 10 DECDRO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000895150714 637672662 /nfs/dbraw/zinc/67/26/62/637672662.db2.gz BELXWXVCNRBCFC-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO Fc1cc(C[NH2+]Cc2cccnc2)cc(F)c1N1CCOCC1 ZINC000839146882 637789059 /nfs/dbraw/zinc/78/90/59/637789059.db2.gz YVUTYZAANDNUEQ-UHFFFAOYSA-N 1 0 319.355 2.486 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1O ZINC000895238097 637829153 /nfs/dbraw/zinc/82/91/53/637829153.db2.gz VLALWODVBQRYBE-NUEKZKHPSA-N 1 0 323.433 2.365 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCN2CCSCC2)c(Cl)c1 ZINC000840896753 650372746 /nfs/dbraw/zinc/37/27/46/650372746.db2.gz NCBBISPWNWDZDR-UHFFFAOYSA-N 1 0 300.855 2.492 20 10 DECDRO COc1cc(C)cc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000895272942 637873975 /nfs/dbraw/zinc/87/39/75/637873975.db2.gz WWDBJLWXTNQVFQ-UHFFFAOYSA-N 1 0 309.406 2.073 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OC)cn3)C2)cc1 ZINC000895308989 637911807 /nfs/dbraw/zinc/91/18/07/637911807.db2.gz FZLWZBGPXOCFQW-HNNXBMFYSA-N 1 0 313.401 2.467 20 10 DECDRO O=C1N(CC[NH2+]Cc2c(O)cccc2Cl)C[C@H]2CCCCN12 ZINC000895344667 637951295 /nfs/dbraw/zinc/95/12/95/637951295.db2.gz VRJJETMWUFMQAF-GFCCVEGCSA-N 1 0 323.824 2.425 20 10 DECDRO CC[C@@H](CO)[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840916222 650379549 /nfs/dbraw/zinc/37/95/49/650379549.db2.gz IFNDWFXKXCUSSI-ZDUSSCGKSA-N 1 0 312.841 2.243 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(Cl)c1 ZINC000840936682 650389188 /nfs/dbraw/zinc/38/91/88/650389188.db2.gz BWXLEBMCLGJUTJ-UHFFFAOYSA-N 1 0 305.765 2.408 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000840951565 650394149 /nfs/dbraw/zinc/39/41/49/650394149.db2.gz ZBRGTFWXFVRMBN-INIZCTEOSA-N 1 0 305.422 2.334 20 10 DECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840941357 650391440 /nfs/dbraw/zinc/39/14/40/650391440.db2.gz VDVKHFHGYCETBT-MRXNPFEDSA-N 1 0 303.450 2.409 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000840943060 650391831 /nfs/dbraw/zinc/39/18/31/650391831.db2.gz QRBXGEOWMUYSPO-KRWDZBQOSA-N 1 0 324.490 2.460 20 10 DECDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840954798 650394353 /nfs/dbraw/zinc/39/43/53/650394353.db2.gz KJCGEPLLMFCUOQ-AWEZNQCLSA-N 1 0 310.413 2.425 20 10 DECDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000840962662 650395469 /nfs/dbraw/zinc/39/54/69/650395469.db2.gz ISNDHEKSSLDGPC-CYBMUJFWSA-N 1 0 319.332 2.126 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1O ZINC000840971202 650396856 /nfs/dbraw/zinc/39/68/56/650396856.db2.gz KLBZCXZMOZLMJE-RISCZKNCSA-N 1 0 301.333 2.429 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000895847206 638230477 /nfs/dbraw/zinc/23/04/77/638230477.db2.gz MXEMZDICPZKOKT-SMDDNHRTSA-N 1 0 322.361 2.310 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000895847205 638230798 /nfs/dbraw/zinc/23/07/98/638230798.db2.gz MXEMZDICPZKOKT-RISCZKNCSA-N 1 0 322.361 2.310 20 10 DECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000745838010 638293351 /nfs/dbraw/zinc/29/33/51/638293351.db2.gz FTLCZQKUTOJRRA-CHWSQXEVSA-N 1 0 321.421 2.245 20 10 DECDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896115463 638360442 /nfs/dbraw/zinc/36/04/42/638360442.db2.gz FWUUIJGFAHMINL-NSHDSACASA-N 1 0 320.414 2.479 20 10 DECDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000896255898 638433650 /nfs/dbraw/zinc/43/36/50/638433650.db2.gz PFTIDAFKYFTEQP-UHFFFAOYSA-N 1 0 315.410 2.224 20 10 DECDRO CCOCc1cc(CN[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000841075627 650423057 /nfs/dbraw/zinc/42/30/57/650423057.db2.gz TUUKKLKLORZGPG-OAHLLOKOSA-N 1 0 314.376 2.319 20 10 DECDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896380141 638504227 /nfs/dbraw/zinc/50/42/27/638504227.db2.gz GZENOAFPCCLAPF-VIFPVBQESA-N 1 0 301.745 2.380 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000897005371 639117535 /nfs/dbraw/zinc/11/75/35/639117535.db2.gz VZLCJPSJZZNRPU-ZDUSSCGKSA-N 1 0 308.378 2.341 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000752106411 639156352 /nfs/dbraw/zinc/15/63/52/639156352.db2.gz VSUHWWUATQHIHB-CQSZACIVSA-N 1 0 305.378 2.464 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](C)C[NH3+])c2C)cc1 ZINC000237304421 639440366 /nfs/dbraw/zinc/44/03/66/639440366.db2.gz UWPABQWGWZWMBB-LBPRGKRZSA-N 1 0 315.417 2.427 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000754731435 639465628 /nfs/dbraw/zinc/46/56/28/639465628.db2.gz BWFLVYQXSGXMHX-ZDUSSCGKSA-N 1 0 307.390 2.294 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2O ZINC000756342745 639652018 /nfs/dbraw/zinc/65/20/18/639652018.db2.gz LAQGKNXLYRRXMX-GXTWGEPZSA-N 1 0 308.397 2.392 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCCN2CCOCC2)c2c1c(F)ccc2O ZINC000756342749 639652290 /nfs/dbraw/zinc/65/22/90/639652290.db2.gz LAQGKNXLYRRXMX-OCCSQVGLSA-N 1 0 308.397 2.392 20 10 DECDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756355056 639652897 /nfs/dbraw/zinc/65/28/97/639652897.db2.gz GUIMGQIZORFVBB-BDAKNGLRSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1O ZINC000756434366 639661763 /nfs/dbraw/zinc/66/17/63/639661763.db2.gz MCPRNOIWNSLZTJ-GXSJLCMTSA-N 1 0 316.195 2.221 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756535535 639670427 /nfs/dbraw/zinc/67/04/27/639670427.db2.gz QYNFVXAKZMTLTP-GXSJLCMTSA-N 1 0 301.383 2.104 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(F)ccc1O ZINC000756758104 639692004 /nfs/dbraw/zinc/69/20/04/639692004.db2.gz HCCALARYYRAMOE-SNVBAGLBSA-N 1 0 301.383 2.007 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)c1 ZINC000839540342 639752780 /nfs/dbraw/zinc/75/27/80/639752780.db2.gz TVOCLNSKTDDMOJ-LBPRGKRZSA-N 1 0 318.373 2.303 20 10 DECDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839564350 639755662 /nfs/dbraw/zinc/75/56/62/639755662.db2.gz QIXGJUJZSOJWRQ-WMLDXEAASA-N 1 0 303.450 2.489 20 10 DECDRO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000841656290 650531031 /nfs/dbraw/zinc/53/10/31/650531031.db2.gz ZFZOGYRFAUSYQH-HOCLYGCPSA-N 1 0 304.438 2.021 20 10 DECDRO O=S1(=O)CCc2cc(C[NH2+]Cc3ccccc3O)ccc21 ZINC000757693675 639871127 /nfs/dbraw/zinc/87/11/27/639871127.db2.gz MQLJQOFCJCBXBY-UHFFFAOYSA-N 1 0 303.383 2.012 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cn1 ZINC000757918206 639895092 /nfs/dbraw/zinc/89/50/92/639895092.db2.gz XVFKQADUCFEOEW-UHFFFAOYSA-N 1 0 302.330 2.157 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](CO)CC(F)F)ccc1OC ZINC000758614725 639980095 /nfs/dbraw/zinc/98/00/95/639980095.db2.gz JTBQGTCDFRHZTA-CYBMUJFWSA-N 1 0 303.349 2.337 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000841710495 650548143 /nfs/dbraw/zinc/54/81/43/650548143.db2.gz XGAMNIFVKVSPJE-INIZCTEOSA-N 1 0 316.449 2.228 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000841718623 650550541 /nfs/dbraw/zinc/55/05/41/650550541.db2.gz WNBFXMHSSOQNGS-PBHICJAKSA-N 1 0 318.465 2.412 20 10 DECDRO CCC[NH2+]CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709093 650546900 /nfs/dbraw/zinc/54/69/00/650546900.db2.gz AZJFOEGRHMSULA-UHFFFAOYSA-N 1 0 304.438 2.086 20 10 DECDRO CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]CC1 ZINC000841709113 650546912 /nfs/dbraw/zinc/54/69/12/650546912.db2.gz BVEPNFVPYVPTPH-UHFFFAOYSA-N 1 0 316.449 2.228 20 10 DECDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841757900 650557826 /nfs/dbraw/zinc/55/78/26/650557826.db2.gz CCLMJQGWSBKGHV-UHFFFAOYSA-N 1 0 318.465 2.195 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000841758469 650557912 /nfs/dbraw/zinc/55/79/12/650557912.db2.gz HTOCYCNMQVTWSP-HOTGVXAUSA-N 1 0 316.449 2.138 20 10 DECDRO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000841753971 650558046 /nfs/dbraw/zinc/55/80/46/650558046.db2.gz GXNQUQSAKNRZOG-HNNXBMFYSA-N 1 0 318.465 2.231 20 10 DECDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987583960 640228894 /nfs/dbraw/zinc/22/88/94/640228894.db2.gz HMIOTBLZDPXROS-MFKMUULPSA-N 1 0 303.366 2.062 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841793053 650565330 /nfs/dbraw/zinc/56/53/30/650565330.db2.gz IRFGVGIUIYIDDB-INIZCTEOSA-N 1 0 316.449 2.084 20 10 DECDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794472 650565501 /nfs/dbraw/zinc/56/55/01/650565501.db2.gz YEJKLHLZSKJYMU-CQSZACIVSA-N 1 0 304.438 2.069 20 10 DECDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793466 650565596 /nfs/dbraw/zinc/56/55/96/650565596.db2.gz LCIGYLXRAOWNQA-OAHLLOKOSA-N 1 0 318.465 2.459 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]1 ZINC000841831151 650574882 /nfs/dbraw/zinc/57/48/82/650574882.db2.gz CLJINHLANHHHAR-GOEBONIOSA-N 1 0 314.433 2.003 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCc3ccnn3C)CC2)cc1 ZINC000762777949 640458009 /nfs/dbraw/zinc/45/80/09/640458009.db2.gz CRBARRRPSAEAIX-UHFFFAOYSA-N 1 0 314.433 2.230 20 10 DECDRO CN(C)c1ccc([C@H](CNc2cc(CO)ccn2)[NH+](C)C)cc1 ZINC000897523630 640543094 /nfs/dbraw/zinc/54/30/94/640543094.db2.gz WANRNKFFCQBFGE-KRWDZBQOSA-N 1 0 314.433 2.355 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000763476319 640545837 /nfs/dbraw/zinc/54/58/37/640545837.db2.gz AKMGCXXWXSNHFP-CYBMUJFWSA-N 1 0 315.369 2.372 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880524 650591323 /nfs/dbraw/zinc/59/13/23/650591323.db2.gz BUFXPILEUIRISU-YDHLFZDLSA-N 1 0 304.438 2.240 20 10 DECDRO CCOc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c(O)c1 ZINC000841891411 650595673 /nfs/dbraw/zinc/59/56/73/650595673.db2.gz YKIBFGJOACQBJA-UHFFFAOYSA-N 1 0 323.433 2.448 20 10 DECDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000841943729 650608210 /nfs/dbraw/zinc/60/82/10/650608210.db2.gz UDJRYYDLWVDVOO-HNNXBMFYSA-N 1 0 316.449 2.179 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841946284 650608881 /nfs/dbraw/zinc/60/88/81/650608881.db2.gz IQVPCIKIIOGADJ-OAHLLOKOSA-N 1 0 305.422 2.441 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841950532 650609579 /nfs/dbraw/zinc/60/95/79/650609579.db2.gz UCSUPERDRLJRFT-YWPYICTPSA-N 1 0 321.421 2.279 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)ccc1OC ZINC000765799524 640820431 /nfs/dbraw/zinc/82/04/31/640820431.db2.gz YIZAEGXHKGAUHN-HZPDHXFCSA-N 1 0 320.433 2.236 20 10 DECDRO COc1cccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c1O ZINC000897590821 640830106 /nfs/dbraw/zinc/83/01/06/640830106.db2.gz CQQFOYVMNUBDEN-UHFFFAOYSA-N 1 0 320.389 2.208 20 10 DECDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765976805 640835582 /nfs/dbraw/zinc/83/55/82/640835582.db2.gz AEUSTWJQJOFHOR-AWEZNQCLSA-N 1 0 310.463 2.056 20 10 DECDRO CCC[NH2+]CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000841960591 650613505 /nfs/dbraw/zinc/61/35/05/650613505.db2.gz CBQMOMKWDMHLAN-UHFFFAOYSA-N 1 0 306.454 2.284 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000841971264 650616279 /nfs/dbraw/zinc/61/62/79/650616279.db2.gz VRXFBGVTSVGGOU-PXAZEXFGSA-N 1 0 321.421 2.151 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841980949 650618979 /nfs/dbraw/zinc/61/89/79/650618979.db2.gz MNADSEYVGQVIMN-SDDRHHMPSA-N 1 0 307.394 2.031 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822934 640945294 /nfs/dbraw/zinc/94/52/94/640945294.db2.gz NZXCIPBZOWIZHE-QXJJFIIZSA-N 1 0 310.191 2.420 20 10 DECDRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000897950334 640983636 /nfs/dbraw/zinc/98/36/36/640983636.db2.gz BUMHXIALCWDUHD-SJKOYZFVSA-N 1 0 303.333 2.363 20 10 DECDRO CCOc1ccc(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000768191423 641058473 /nfs/dbraw/zinc/05/84/73/641058473.db2.gz HHUTUKNHMIVKHH-KRWDZBQOSA-N 1 0 320.433 2.088 20 10 DECDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768438888 641081136 /nfs/dbraw/zinc/08/11/36/641081136.db2.gz AARCTUDCAJPZNV-CYBMUJFWSA-N 1 0 323.389 2.327 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1Cc2ccccc2C1 ZINC000768441707 641081238 /nfs/dbraw/zinc/08/12/38/641081238.db2.gz GIQGAIJFDOTMKM-SFHVURJKSA-N 1 0 311.381 2.417 20 10 DECDRO COC1CCC([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768446605 641082455 /nfs/dbraw/zinc/08/24/55/641082455.db2.gz LKDJWLUTLAHHLO-SEEARECTSA-N 1 0 307.390 2.207 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000842009004 650626278 /nfs/dbraw/zinc/62/62/78/650626278.db2.gz YWYBNXZWAXSYBT-KGLIPLIRSA-N 1 0 306.454 2.410 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC000769414609 641236247 /nfs/dbraw/zinc/23/62/47/641236247.db2.gz 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C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967492 647395463 /nfs/dbraw/zinc/39/54/63/647395463.db2.gz JMIDOYAWODKPIP-KEYYUXOJSA-N 1 0 321.440 2.311 20 10 DECDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965480 647395515 /nfs/dbraw/zinc/39/55/15/647395515.db2.gz RMBMMXNUDQVWEW-BLLLJJGKSA-N 1 0 307.413 2.050 20 10 DECDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967493 647396143 /nfs/dbraw/zinc/39/61/43/647396143.db2.gz JMIDOYAWODKPIP-ZQIUZPCESA-N 1 0 321.440 2.311 20 10 DECDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)c(F)cc1[O-] ZINC000817977662 647398569 /nfs/dbraw/zinc/39/85/69/647398569.db2.gz NNBMZCYHXSDSOW-WRNXMPKJSA-N 1 0 315.186 2.162 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983193 647400767 /nfs/dbraw/zinc/40/07/67/647400767.db2.gz ZCRCKQQNZOWFLU-QWRGUYRKSA-N 1 0 318.339 2.440 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000817996633 647402510 /nfs/dbraw/zinc/40/25/10/647402510.db2.gz LBNQYYKRYUPJEN-ABAIWWIYSA-N 1 0 306.406 2.356 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)cc1 ZINC000818219167 647435115 /nfs/dbraw/zinc/43/51/15/647435115.db2.gz CSAURHRXWJAEGW-AWEZNQCLSA-N 1 0 300.406 2.045 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCCCS(C)(=O)=O)c(Cl)c1 ZINC000818226310 647436620 /nfs/dbraw/zinc/43/66/20/647436620.db2.gz PATXVKDSQCUBFU-UHFFFAOYSA-N 1 0 305.827 2.268 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCn4ccnc43)C2)cc1 ZINC000818341815 647456343 /nfs/dbraw/zinc/45/63/43/647456343.db2.gz GZQDAVNZLHAMBJ-PBHICJAKSA-N 1 0 312.417 2.453 20 10 DECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C3CC3)cc2F)C[C@H](C)O1 ZINC000818966014 647551679 /nfs/dbraw/zinc/55/16/79/647551679.db2.gz GYZRKCTYXIRIGZ-JCGVRSQUSA-N 1 0 322.424 2.300 20 10 DECDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000238131950 647575184 /nfs/dbraw/zinc/57/51/84/647575184.db2.gz IFIHQYPOHUGOKS-UHFFFAOYSA-N 1 0 302.286 2.319 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)COC(C)C ZINC000819377544 647647401 /nfs/dbraw/zinc/64/74/01/647647401.db2.gz SSBPMDRJQOVXQB-CRAIPNDOSA-N 1 0 308.466 2.368 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819896615 647736542 /nfs/dbraw/zinc/73/65/42/647736542.db2.gz INOFTYSAEPSHKT-CQSZACIVSA-N 1 0 309.373 2.369 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)cc1C ZINC000819896447 647736782 /nfs/dbraw/zinc/73/67/82/647736782.db2.gz GUOKSBRNWDXJGR-AWEZNQCLSA-N 1 0 302.378 2.138 20 10 DECDRO C/C(Cl)=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838698 648109783 /nfs/dbraw/zinc/10/97/83/648109783.db2.gz MEHIENRSOIPRQP-ACCUITESSA-N 1 0 307.825 2.197 20 10 DECDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000822494189 648219443 /nfs/dbraw/zinc/21/94/43/648219443.db2.gz IRNGCOLXHWHZFD-UHFFFAOYSA-N 1 0 307.415 2.460 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC000823661886 648463516 /nfs/dbraw/zinc/46/35/16/648463516.db2.gz DQDVKGNUQUUHIG-OAHLLOKOSA-N 1 0 303.450 2.204 20 10 DECDRO COc1nccnc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000824161808 648537717 /nfs/dbraw/zinc/53/77/17/648537717.db2.gz QLGWADTYJINISC-UHFFFAOYSA-N 1 0 316.405 2.062 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1F ZINC000824451242 648590525 /nfs/dbraw/zinc/59/05/25/648590525.db2.gz POGYWFAFQVQNAH-CQSZACIVSA-N 1 0 321.396 2.166 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000824710533 648640577 /nfs/dbraw/zinc/64/05/77/648640577.db2.gz ZWPPAPAATDDXBS-HZMBPMFUSA-N 1 0 315.797 2.195 20 10 DECDRO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H](C)N1CCO ZINC000824926735 648673490 /nfs/dbraw/zinc/67/34/90/648673490.db2.gz QZRSRVQQMJZASV-GASCZTMLSA-N 1 0 314.429 2.432 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000825045076 648691514 /nfs/dbraw/zinc/69/15/14/648691514.db2.gz BLZWPMPCTWRPEC-RHSMWYFYSA-N 1 0 301.390 2.444 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124594 648707094 /nfs/dbraw/zinc/70/70/94/648707094.db2.gz SZDWWJDMVNFVLW-RNCFNFMXSA-N 1 0 305.296 2.146 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000827000971 648958825 /nfs/dbraw/zinc/95/88/25/648958825.db2.gz QSXNWFAWSCOUMV-MRXNPFEDSA-N 1 0 303.406 2.088 20 10 DECDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1COCCO1 ZINC000827139406 648979763 /nfs/dbraw/zinc/97/97/63/648979763.db2.gz ALUSQWREYXQVKI-LBPRGKRZSA-N 1 0 316.195 2.002 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[C@H]21 ZINC000827234161 648998697 /nfs/dbraw/zinc/99/86/97/648998697.db2.gz XAUMFRLHETZAPE-TZMCWYRMSA-N 1 0 315.377 2.015 20 10 DECDRO Fc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1N1CCOCC1 ZINC000827596116 649055799 /nfs/dbraw/zinc/05/57/99/649055799.db2.gz UUTOCURNXROKDX-CVEARBPZSA-N 1 0 320.408 2.131 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000827663160 649063477 /nfs/dbraw/zinc/06/34/77/649063477.db2.gz ZEFSPGIUFOZWGP-INIZCTEOSA-N 1 0 304.434 2.164 20 10 DECDRO C[C@@H]([NH2+]Cc1cccnc1N)c1ccc(N2CCOCC2)cc1 ZINC000828669941 649208384 /nfs/dbraw/zinc/20/83/84/649208384.db2.gz UXPDZEFAKGKKJK-CQSZACIVSA-N 1 0 312.417 2.351 20 10 DECDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000829004044 649258406 /nfs/dbraw/zinc/25/84/06/649258406.db2.gz YLPXLECEJZJZLF-HOTGVXAUSA-N 1 0 318.417 2.027 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000830597662 649465777 /nfs/dbraw/zinc/46/57/77/649465777.db2.gz SHZHGGCUSPXYCL-INIZCTEOSA-N 1 0 314.429 2.277 20 10 DECDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000830943323 649518329 /nfs/dbraw/zinc/51/83/29/649518329.db2.gz HBPQUEJYCUJLQD-MRXNPFEDSA-N 1 0 301.434 2.002 20 10 DECDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000831138299 649542955 /nfs/dbraw/zinc/54/29/55/649542955.db2.gz QCJUTQDORXOGFG-ZJUUUORDSA-N 1 0 302.469 2.050 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831180791 649549445 /nfs/dbraw/zinc/54/94/45/649549445.db2.gz RMOKZPRVOHBDOI-MRXNPFEDSA-N 1 0 316.449 2.002 20 10 DECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761076 649641852 /nfs/dbraw/zinc/64/18/52/649641852.db2.gz PLCFIZNMIHJKRI-VXGBXAGGSA-N 1 0 314.376 2.314 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000832274061 649691364 /nfs/dbraw/zinc/69/13/64/649691364.db2.gz RKXBPUKWLBMSAU-ROUUACIJSA-N 1 0 309.413 2.209 20 10 DECDRO CCc1noc(C)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279297 649691879 /nfs/dbraw/zinc/69/18/79/649691879.db2.gz IIOYIERNNPZVAK-AWEZNQCLSA-N 1 0 316.405 2.041 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cccc(F)c2)cc1 ZINC000832285153 649692383 /nfs/dbraw/zinc/69/23/83/649692383.db2.gz OYCUPBGBCIPZSA-QGZVFWFLSA-N 1 0 315.392 2.250 20 10 DECDRO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834491717 649806445 /nfs/dbraw/zinc/80/64/45/649806445.db2.gz FKRWYNQQDCGKJV-CVEARBPZSA-N 1 0 304.434 2.326 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1F ZINC000844177222 651086732 /nfs/dbraw/zinc/08/67/32/651086732.db2.gz CJWHYFOBGLIHQS-HNNXBMFYSA-N 1 0 307.413 2.286 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)nc2C)cc1 ZINC000844400416 651122815 /nfs/dbraw/zinc/12/28/15/651122815.db2.gz BKCDVCSWTHTRLS-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C)c2C)cc1 ZINC000844400313 651122923 /nfs/dbraw/zinc/12/29/23/651122923.db2.gz ABGYQXBZCRUSGR-UHFFFAOYSA-N 1 0 302.422 2.305 20 10 DECDRO COCC[NH2+]C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000844900517 651180696 /nfs/dbraw/zinc/18/06/96/651180696.db2.gz QCRDHTNWDRNZGX-PLNGDYQASA-N 1 0 317.477 2.466 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846143652 651310673 /nfs/dbraw/zinc/31/06/73/651310673.db2.gz FNBZXLVQHFWSQK-NEPJUHHUSA-N 1 0 308.378 2.282 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000846162413 651312097 /nfs/dbraw/zinc/31/20/97/651312097.db2.gz GZLASMLCQVUWFQ-VXGBXAGGSA-N 1 0 313.419 2.019 20 10 DECDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1=O ZINC000846170643 651312862 /nfs/dbraw/zinc/31/28/62/651312862.db2.gz BLZICXUWOWYVOQ-QWHCGFSZSA-N 1 0 306.406 2.310 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672587 651344667 /nfs/dbraw/zinc/34/46/67/651344667.db2.gz INJNBYOKPSGZCY-IAGOWNOFSA-N 1 0 301.434 2.208 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848427392 651458540 /nfs/dbraw/zinc/45/85/40/651458540.db2.gz LKNFPZRQMGIKOW-WMZOPIPTSA-N 1 0 301.434 2.101 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)[C@@H](O)CO2 ZINC000848498401 651463880 /nfs/dbraw/zinc/46/38/80/651463880.db2.gz SCBLLJWPKFGMST-PBHICJAKSA-N 1 0 319.401 2.352 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563514 651471562 /nfs/dbraw/zinc/47/15/62/651471562.db2.gz UGDPNNAMROSGSC-KFWWJZLASA-N 1 0 323.456 2.479 20 10 DECDRO C[N@@H+]1CCC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000854515065 651492643 /nfs/dbraw/zinc/49/26/43/651492643.db2.gz NQAATMXMDYHOAB-AWEZNQCLSA-N 1 0 321.384 2.429 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000848882191 651543916 /nfs/dbraw/zinc/54/39/16/651543916.db2.gz MMOVHKPOHFXNSP-KRWDZBQOSA-N 1 0 304.434 2.251 20 10 DECDRO COCC[N@@H+](Cc1cccc(C)c1O)C[C@H](O)C(F)(F)F ZINC000848922427 651563594 /nfs/dbraw/zinc/56/35/94/651563594.db2.gz RLQZVYKUXGZRBP-LBPRGKRZSA-N 1 0 307.312 2.072 20 10 DECDRO CC(C)NC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000849069021 651597288 /nfs/dbraw/zinc/59/72/88/651597288.db2.gz HDZVJJIHUQIWKR-CHWSQXEVSA-N 1 0 322.428 2.462 20 10 DECDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(O)c1O ZINC000855897517 651802910 /nfs/dbraw/zinc/80/29/10/651802910.db2.gz DNBHZECOWFHQFT-ZDUSSCGKSA-N 1 0 306.406 2.256 20 10 DECDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850373769 651914599 /nfs/dbraw/zinc/91/45/99/651914599.db2.gz PZMUFIWBSNCNLN-CQSZACIVSA-N 1 0 307.394 2.446 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)O1 ZINC000850406824 651922724 /nfs/dbraw/zinc/92/27/24/651922724.db2.gz VKMOBYFCAHCSDY-GLJUWKHASA-N 1 0 304.434 2.303 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406324 651922910 /nfs/dbraw/zinc/92/29/10/651922910.db2.gz BJGCESWCINMLDT-GOEBONIOSA-N 1 0 304.434 2.305 20 10 DECDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000850558051 651952426 /nfs/dbraw/zinc/95/24/26/651952426.db2.gz SGTBBLOEAVXDCA-IUODEOHRSA-N 1 0 308.397 2.435 20 10 DECDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000850558054 651952747 /nfs/dbraw/zinc/95/27/47/651952747.db2.gz SGTBBLOEAVXDCA-SWLSCSKDSA-N 1 0 308.397 2.435 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)OCC(F)(F)F)cc1 ZINC000850586478 651957126 /nfs/dbraw/zinc/95/71/26/651957126.db2.gz VFOILFMJCHFAHD-LLVKDONJSA-N 1 0 305.300 2.041 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3Cl)C2)cc1 ZINC000856795089 651985613 /nfs/dbraw/zinc/98/56/13/651985613.db2.gz ZDRAXJCFNIYWDK-CYBMUJFWSA-N 1 0 320.824 2.451 20 10 DECDRO C[C@H]([NH3+])CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000857114447 652054475 /nfs/dbraw/zinc/05/44/75/652054475.db2.gz VEPZJNAIGOOAPK-ZDUSSCGKSA-N 1 0 304.438 2.164 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCCNc2ncccn2)cc1F ZINC000858148577 652265820 /nfs/dbraw/zinc/26/58/20/652265820.db2.gz CLSLRDGIBHXLHG-UHFFFAOYSA-N 1 0 321.375 2.413 20 10 DECDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149629 652267164 /nfs/dbraw/zinc/26/71/64/652267164.db2.gz QDESSMTVCNMASN-DGCLKSJQSA-N 1 0 314.376 2.314 20 10 DECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149604 652267238 /nfs/dbraw/zinc/26/72/38/652267238.db2.gz PNWDGZIYXCMTNJ-FVINQWEUSA-N 1 0 304.406 2.278 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858154715 652267639 /nfs/dbraw/zinc/26/76/39/652267639.db2.gz PMAXJWMXRPXNFO-BXUZGUMPSA-N 1 0 311.376 2.035 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)c1 ZINC000851901534 652275066 /nfs/dbraw/zinc/27/50/66/652275066.db2.gz LLVMBDAGRZGPSW-YXAMBPQSSA-N 1 0 318.417 2.499 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000858190741 652275733 /nfs/dbraw/zinc/27/57/33/652275733.db2.gz NDRVETOKVNLDDJ-LSDHHAIUSA-N 1 0 303.406 2.127 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000858277431 652295124 /nfs/dbraw/zinc/29/51/24/652295124.db2.gz MUJFBYRSAMFPSL-AWEZNQCLSA-N 1 0 305.422 2.374 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000858283266 652295740 /nfs/dbraw/zinc/29/57/40/652295740.db2.gz FLWAZMARFPXSAM-HNNXBMFYSA-N 1 0 312.369 2.317 20 10 DECDRO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000858434776 652335628 /nfs/dbraw/zinc/33/56/28/652335628.db2.gz PEWSIDWQQVQQFH-LRDDRELGSA-N 1 0 315.417 2.389 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000852632013 652430425 /nfs/dbraw/zinc/43/04/25/652430425.db2.gz NZXVIZKYFKAUOZ-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO CN(CC(C)(C)[NH3+])C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000852841959 652467509 /nfs/dbraw/zinc/46/75/09/652467509.db2.gz OQRAVRFMWVIRSB-UHFFFAOYSA-N 1 0 318.446 2.125 20 10 DECDRO O=C(C=C1CC[NH2+]CC1)NCc1c(O)ccc2c1CCCC2 ZINC000852883950 652474903 /nfs/dbraw/zinc/47/49/03/652474903.db2.gz BXNPWWULHHAUIG-UHFFFAOYSA-N 1 0 300.402 2.197 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000852885961 652475397 /nfs/dbraw/zinc/47/53/97/652475397.db2.gz VXUPJABFAYIQEX-VIFPVBQESA-N 1 0 319.361 2.074 20 10 DECDRO Oc1ccc2ccccc2c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000853550606 652567241 /nfs/dbraw/zinc/56/72/41/652567241.db2.gz KQYSWGQUHDRAJO-INIZCTEOSA-N 1 0 312.413 2.452 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000853595222 652575764 /nfs/dbraw/zinc/57/57/64/652575764.db2.gz YKFJWIWHZFUKIL-AWEZNQCLSA-N 1 0 318.417 2.154 20 10 DECDRO CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1[O-] ZINC000854231224 652662441 /nfs/dbraw/zinc/66/24/41/652662441.db2.gz CQLQYCYNCDERMA-LBPRGKRZSA-N 1 0 322.796 2.241 20 10 DECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000854231402 652662690 /nfs/dbraw/zinc/66/26/90/652662690.db2.gz HIBZFMGELIQFMM-OLZOCXBDSA-N 1 0 311.857 2.435 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000043179301 683899692 /nfs/dbraw/zinc/89/96/92/683899692.db2.gz ASJGZCURKIGISR-UHFFFAOYSA-N 1 0 305.422 2.406 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047578440 683911054 /nfs/dbraw/zinc/91/10/54/683911054.db2.gz ZHRRPKGPAMUKDZ-UHFFFAOYSA-N 1 0 318.465 2.428 20 10 DECDRO C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000127251879 684161604 /nfs/dbraw/zinc/16/16/04/684161604.db2.gz VFACPZDVIVQPBJ-ZBFHGGJFSA-N 1 0 303.450 2.395 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000129791852 684182371 /nfs/dbraw/zinc/18/23/71/684182371.db2.gz VVKAVTLGXLFIHW-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)Cc2ccccc2C)c1O ZINC000188924219 684367071 /nfs/dbraw/zinc/36/70/71/684367071.db2.gz OUGXZQVVZMGYOI-INIZCTEOSA-N 1 0 301.386 2.402 20 10 DECDRO COCCO[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193414345 685040110 /nfs/dbraw/zinc/04/01/10/685040110.db2.gz OZALOAJYCVPOLT-HNNXBMFYSA-N 1 0 309.406 2.337 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)c1 ZINC000193925194 685051686 /nfs/dbraw/zinc/05/16/86/685051686.db2.gz DRZBCGJGQMJSSH-CHWSQXEVSA-N 1 0 306.406 2.452 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC3)C[C@@H]2C)cc1C ZINC001054312259 693924871 /nfs/dbraw/zinc/92/48/71/693924871.db2.gz WROXZRPOSHVFES-XJKSGUPXSA-N 1 0 302.418 2.350 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1 ZINC000248484147 685160381 /nfs/dbraw/zinc/16/03/81/685160381.db2.gz DFEIRZJLGCEXNF-ZBFHGGJFSA-N 1 0 322.449 2.408 20 10 DECDRO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C[NH2+]1 ZINC000861568027 686146569 /nfs/dbraw/zinc/14/65/69/686146569.db2.gz NILQMDOGKSJCDA-CZUORRHYSA-N 1 0 316.449 2.009 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000861583326 686150392 /nfs/dbraw/zinc/15/03/92/686150392.db2.gz RFDODBYQUDLNLN-JKSUJKDBSA-N 1 0 304.438 2.001 20 10 DECDRO COC(=O)Cc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000862447831 686304756 /nfs/dbraw/zinc/30/47/56/686304756.db2.gz RBYFTOCZQFVCCN-UHFFFAOYSA-N 1 0 315.369 2.406 20 10 DECDRO CN(CC[NH2+]Cc1ccc(Br)cc1O)CC(F)F ZINC000862549746 686321003 /nfs/dbraw/zinc/32/10/03/686321003.db2.gz DKSSUAUYIFLFNE-UHFFFAOYSA-N 1 0 323.181 2.441 20 10 DECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000864454581 686726732 /nfs/dbraw/zinc/72/67/32/686726732.db2.gz ONMRJXKUYAFSOJ-SWLSCSKDSA-N 1 0 304.463 2.262 20 10 DECDRO COCC[C@H](C[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000865443045 687213675 /nfs/dbraw/zinc/21/36/75/687213675.db2.gz WLNXRWNEBLGRKQ-CQSZACIVSA-N 1 0 324.421 2.412 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(=O)[nH]c3)C2)cc1 ZINC000865608428 687276273 /nfs/dbraw/zinc/27/62/73/687276273.db2.gz JCBHXHFIXBRWKP-HNNXBMFYSA-N 1 0 313.401 2.412 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC000865682664 687300216 /nfs/dbraw/zinc/30/02/16/687300216.db2.gz IXGUEJMOKABETJ-CYBMUJFWSA-N 1 0 314.311 2.488 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@H](O)C(F)F)ccc1OC ZINC000865689102 687303442 /nfs/dbraw/zinc/30/34/42/687303442.db2.gz WKJGYPMAEJWCPS-ZDUSSCGKSA-N 1 0 303.349 2.337 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930209851 694112949 /nfs/dbraw/zinc/11/29/49/694112949.db2.gz JLOVQJBLYQSNRB-AWEZNQCLSA-N 1 0 312.417 2.351 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)on1 ZINC000866515564 687596766 /nfs/dbraw/zinc/59/67/66/687596766.db2.gz KHEASTKNYSSXMB-JTQLQIEISA-N 1 0 320.345 2.416 20 10 DECDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988726 688704836 /nfs/dbraw/zinc/70/48/36/688704836.db2.gz XUJGFGZDDDFKJU-ZLENFMNRSA-N 1 0 306.406 2.102 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CC(C)(C)O)C2CC2)cc1 ZINC000871974498 688905105 /nfs/dbraw/zinc/90/51/05/688905105.db2.gz HDRRZFIQWDDYIZ-QGZVFWFLSA-N 1 0 306.450 2.239 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000872687412 689065454 /nfs/dbraw/zinc/06/54/54/689065454.db2.gz FKFCDBZVWRVPEG-NWDGAFQWSA-N 1 0 319.323 2.312 20 10 DECDRO CCCOc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1C ZINC000873103823 689159148 /nfs/dbraw/zinc/15/91/48/689159148.db2.gz XFXCVHMSULXKDN-UHFFFAOYSA-N 1 0 316.405 2.027 20 10 DECDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875535394 689644780 /nfs/dbraw/zinc/64/47/80/689644780.db2.gz NUOLNLQOPRRJCY-OAHLLOKOSA-N 1 0 315.417 2.434 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ocnc2C2CC2)cc1 ZINC000876505734 689841957 /nfs/dbraw/zinc/84/19/57/689841957.db2.gz AUPHRAJRORVUCO-CQSZACIVSA-N 1 0 314.389 2.048 20 10 DECDRO COc1ccc(N(C)C(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1OC ZINC000876623820 689879907 /nfs/dbraw/zinc/87/99/07/689879907.db2.gz VZEURIBOXRIKEB-OYVUYXNMSA-N 1 0 304.390 2.222 20 10 DECDRO COC(=O)CC[N@@H+](Cc1c(C)cccc1O)C[C@H]1CCCO1 ZINC000876745104 689924493 /nfs/dbraw/zinc/92/44/93/689924493.db2.gz ZZRCZPHFOGVWCE-CQSZACIVSA-N 1 0 307.390 2.245 20 10 DECDRO Cc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000876789691 689937097 /nfs/dbraw/zinc/93/70/97/689937097.db2.gz GEYMJUMPOFTPGN-UHFFFAOYSA-N 1 0 324.380 2.429 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876872522 689960081 /nfs/dbraw/zinc/96/00/81/689960081.db2.gz GDQWNDGFKZFXFS-QIENPNARSA-N 1 0 301.434 2.267 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCCn3ccnc3)cc2)CC1 ZINC000876886000 689964572 /nfs/dbraw/zinc/96/45/72/689964572.db2.gz QICKGSBUGWVJSB-UHFFFAOYSA-N 1 0 314.433 2.024 20 10 DECDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)CC2 ZINC000876905893 689969574 /nfs/dbraw/zinc/96/95/74/689969574.db2.gz ZTOOJJHJSYQFFI-IHVVCDCBSA-N 1 0 315.373 2.348 20 10 DECDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876930314 689975455 /nfs/dbraw/zinc/97/54/55/689975455.db2.gz VGZICNQPEVNJBR-OAHLLOKOSA-N 1 0 314.433 2.023 20 10 DECDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877019325 689999149 /nfs/dbraw/zinc/99/91/49/689999149.db2.gz JUXHGCYEPDTUQD-INIZCTEOSA-N 1 0 319.493 2.468 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000877031004 690002392 /nfs/dbraw/zinc/00/23/92/690002392.db2.gz LANHMZUGJVFMQR-INIZCTEOSA-N 1 0 304.434 2.434 20 10 DECDRO CO[C@@H](C[NH2+]CCCSc1nccs1)[C@H]1CCOC1 ZINC000877061951 690011142 /nfs/dbraw/zinc/01/11/42/690011142.db2.gz WDNOGNPYTDZLND-RYUDHWBXSA-N 1 0 302.465 2.266 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(O)c1 ZINC000877068871 690012153 /nfs/dbraw/zinc/01/21/53/690012153.db2.gz CXADNMVWODKWQM-OAHLLOKOSA-N 1 0 300.406 2.193 20 10 DECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCO1 ZINC000877101860 690018748 /nfs/dbraw/zinc/01/87/48/690018748.db2.gz SOSOTENPZJMPNY-GOSISDBHSA-N 1 0 304.434 2.306 20 10 DECDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ncn1 ZINC000877124862 690023735 /nfs/dbraw/zinc/02/37/35/690023735.db2.gz RLWODKSTIMXMAS-UHFFFAOYSA-N 1 0 312.417 2.036 20 10 DECDRO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877158552 690034067 /nfs/dbraw/zinc/03/40/67/690034067.db2.gz KHLXEIGDYGMWCH-GFCCVEGCSA-N 1 0 302.365 2.117 20 10 DECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877307517 690071927 /nfs/dbraw/zinc/07/19/27/690071927.db2.gz IDERMUVKGJDCKP-KSSFIOAISA-N 1 0 304.434 2.305 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(C)cc3O)[C@H]2C1 ZINC000877536185 690144673 /nfs/dbraw/zinc/14/46/73/690144673.db2.gz KJXSBDCBWUBGMB-YESZJQIVSA-N 1 0 302.418 2.437 20 10 DECDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877608396 690166455 /nfs/dbraw/zinc/16/64/55/690166455.db2.gz UKPSTLZLZSQXJJ-AWEZNQCLSA-N 1 0 316.323 2.201 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c(O)c1 ZINC000877619877 690169588 /nfs/dbraw/zinc/16/95/88/690169588.db2.gz BADLINYDZBZNLW-QGZVFWFLSA-N 1 0 304.434 2.387 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]CCCc3cnn(C)c3)C2)cc1 ZINC000877620761 690169892 /nfs/dbraw/zinc/16/98/92/690169892.db2.gz NFOPTHUCCRFDBR-MRXNPFEDSA-N 1 0 314.433 2.230 20 10 DECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877630691 690173168 /nfs/dbraw/zinc/17/31/68/690173168.db2.gz JTOZPCZYWKQWQL-MAUKXSAKSA-N 1 0 304.434 2.162 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CN2CCC1CC2 ZINC000877706415 690197857 /nfs/dbraw/zinc/19/78/57/690197857.db2.gz LEGGTZZBGPMVMD-LJQANCHMSA-N 1 0 315.461 2.049 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1N1CCCCC1 ZINC000878981810 690542163 /nfs/dbraw/zinc/54/21/63/690542163.db2.gz QBZKWFGGYBFJRG-HKUYNNGSSA-N 1 0 318.461 2.303 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)cc1 ZINC000879486289 690652227 /nfs/dbraw/zinc/65/22/27/690652227.db2.gz KWDCHMMQDJPSJD-KRWDZBQOSA-N 1 0 301.434 2.229 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880584284 690933511 /nfs/dbraw/zinc/93/35/11/690933511.db2.gz HSQGPYLRVVOAKK-KRWDZBQOSA-N 1 0 304.434 2.116 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000883256280 691466439 /nfs/dbraw/zinc/46/64/39/691466439.db2.gz SBPJXCSIUUZZNH-OAHLLOKOSA-N 1 0 321.417 2.466 20 10 DECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC000883283946 691471571 /nfs/dbraw/zinc/47/15/71/691471571.db2.gz ZQJIQTLECBRSMJ-FUHWJXTLSA-N 1 0 303.450 2.096 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000883394037 691495730 /nfs/dbraw/zinc/49/57/30/691495730.db2.gz RAOGEVMMTBAADA-CZUORRHYSA-N 1 0 301.434 2.414 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2CC2)cc1C ZINC001044892760 691904303 /nfs/dbraw/zinc/90/43/03/691904303.db2.gz PTHKOTDAPVRXID-INIZCTEOSA-N 1 0 302.418 2.494 20 10 DECDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886595060 692123872 /nfs/dbraw/zinc/12/38/72/692123872.db2.gz ZVXWCICMPBUSMH-KBPBESRZSA-N 1 0 309.429 2.208 20 10 DECDRO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794467 693186364 /nfs/dbraw/zinc/18/63/64/693186364.db2.gz FLTJLAXGGBHRSJ-WMLDXEAASA-N 1 0 320.433 2.325 20 10 DECDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926723872 693500240 /nfs/dbraw/zinc/50/02/40/693500240.db2.gz GMJWUBFCFVPVIR-HUUCEWRRSA-N 1 0 318.461 2.408 20 10 DECDRO C[C@@H](NC(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001335511742 1150439752 /nfs/dbraw/zinc/43/97/52/1150439752.db2.gz ZBSFDSWEEVNXQZ-DOMZBBRYSA-N 1 0 304.438 2.192 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC001335697093 1150504085 /nfs/dbraw/zinc/50/40/85/1150504085.db2.gz UTTGVJJLMZRZBY-STQMWFEESA-N 1 0 321.421 2.293 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1 ZINC001343021828 1150657040 /nfs/dbraw/zinc/65/70/40/1150657040.db2.gz OVNLRQPDYAKSCO-RCCFBDPRSA-N 1 0 324.428 2.067 20 10 DECDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001343446053 1150742655 /nfs/dbraw/zinc/74/26/55/1150742655.db2.gz ZEHAQHOBGICHIF-JSGCOSHPSA-N 1 0 305.422 2.242 20 10 DECDRO CC(C)(C[NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001343527083 1150750375 /nfs/dbraw/zinc/75/03/75/1150750375.db2.gz RWYWMAZQKBGADQ-OAHLLOKOSA-N 1 0 320.433 2.275 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001343916697 1150783685 /nfs/dbraw/zinc/78/36/85/1150783685.db2.gz WYCRWYMBUUIFTE-HIFRSBDPSA-N 1 0 323.433 2.477 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)c1ccccc1O ZINC001347233665 1151050081 /nfs/dbraw/zinc/05/00/81/1151050081.db2.gz OPGJECSRYNGTLL-QHSBEEBCSA-N 1 0 303.406 2.093 20 10 DECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001353540411 1151837110 /nfs/dbraw/zinc/83/71/10/1151837110.db2.gz ULQRBIKAUQRODE-BBRMVZONSA-N 1 0 302.422 2.037 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176465353 782450393 /nfs/dbraw/zinc/45/03/93/782450393.db2.gz UHTPUTUDSBSUTI-UHFFFAOYSA-N 1 0 319.449 2.410 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCC(F)(F)F ZINC001332780904 1149891371 /nfs/dbraw/zinc/89/13/71/1149891371.db2.gz JJPNVSBPWBMPGU-SNVBAGLBSA-N 1 0 316.323 2.168 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncc4c(n3)CCC4)cc2)CC1 ZINC001167427016 777020301 /nfs/dbraw/zinc/02/03/01/777020301.db2.gz UEJVCHRJWGPKAU-UHFFFAOYSA-N 1 0 323.444 2.329 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000316533824 778226149 /nfs/dbraw/zinc/22/61/49/778226149.db2.gz IIZROZDFLCTENU-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685589 784540562 /nfs/dbraw/zinc/54/05/62/784540562.db2.gz VYFMXLVWYDICKV-FZMZJTMJSA-N 1 0 317.393 2.309 20 10 DECDRO CCOC(=O)[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CO1 ZINC001169418489 785178923 /nfs/dbraw/zinc/17/89/23/785178923.db2.gz NSZNYQJBUBDSGC-DLBZAZTESA-N 1 0 320.433 2.295 20 10 DECDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691468077 785912202 /nfs/dbraw/zinc/91/22/02/785912202.db2.gz SKICFOXUIYJPKI-VPTHRUTESA-N 1 0 306.225 2.011 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001132476764 788094890 /nfs/dbraw/zinc/09/48/90/788094890.db2.gz ASBPQAPVYQRDEY-LLVKDONJSA-N 1 0 318.339 2.408 20 10 DECDRO CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133596492 788514735 /nfs/dbraw/zinc/51/47/35/788514735.db2.gz XJZWLUIPCSQPFU-CABCVRRESA-N 1 0 322.449 2.413 20 10 DECDRO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCCC[C@H]1C ZINC001136243533 789671609 /nfs/dbraw/zinc/67/16/09/789671609.db2.gz GDHXZHGRCSXEPR-CHWSQXEVSA-N 1 0 306.406 2.019 20 10 DECDRO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cccc(O)c1O ZINC001148224663 791713760 /nfs/dbraw/zinc/71/37/60/791713760.db2.gz RQNZJYKCYISSJN-AWEZNQCLSA-N 1 0 318.417 2.482 20 10 DECDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(O)cc1O)CO2 ZINC001173152953 793610558 /nfs/dbraw/zinc/61/05/58/793610558.db2.gz LRGVRHFUWPNCRI-LBPRGKRZSA-N 1 0 301.342 2.200 20 10 DECDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001173632026 793788672 /nfs/dbraw/zinc/78/86/72/793788672.db2.gz XMGUMMPVXPVBEC-ZIAGYGMSSA-N 1 0 307.390 2.352 20 10 DECDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(Br)cc1O ZINC000691675183 794456461 /nfs/dbraw/zinc/45/64/61/794456461.db2.gz IINZOMCZSJAUTB-HUTHGQBESA-N 1 0 320.252 2.354 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1SCCS1 ZINC000692852836 794487424 /nfs/dbraw/zinc/48/74/24/794487424.db2.gz PFSNWCJTAGECAO-UHFFFAOYSA-N 1 0 310.488 2.419 20 10 DECDRO CC(C)(C)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001116510262 794962025 /nfs/dbraw/zinc/96/20/25/794962025.db2.gz PPQIOBZAELWPJG-FNORWQNLSA-N 1 0 304.390 2.054 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCOC1 ZINC001116910505 794998377 /nfs/dbraw/zinc/99/83/77/794998377.db2.gz CYSSNCUEOHNNTF-HOCLYGCPSA-N 1 0 321.440 2.092 20 10 DECDRO COCCO[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001181164799 795439329 /nfs/dbraw/zinc/43/93/29/795439329.db2.gz ZMBCYVOHQLVMCZ-CQSZACIVSA-N 1 0 309.406 2.337 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cn1cccn1 ZINC001120560406 795484594 /nfs/dbraw/zinc/48/45/94/795484594.db2.gz CQOOFFMSIARVQQ-GOSISDBHSA-N 1 0 314.433 2.024 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1OC ZINC001181775986 795537385 /nfs/dbraw/zinc/53/73/85/795537385.db2.gz JPOQYWVCJPPOQB-CMPLNLGQSA-N 1 0 303.362 2.402 20 10 DECDRO C[N@@H+]1C[C@@]23CN(C(=O)C4=CC(=O)CS4)C[C@]2(C1)CCCC3 ZINC001120836467 795540393 /nfs/dbraw/zinc/54/03/93/795540393.db2.gz NSKCXHUBERLOFC-IYBDPMFKSA-N 1 0 306.431 2.402 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/c2nccs2)cc1 ZINC001121712199 795677294 /nfs/dbraw/zinc/67/72/94/795677294.db2.gz IIJZCQOZGPAJKD-HSBSLETESA-N 1 0 316.430 2.039 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2[NH2+]CC23CCCC3)cc1 ZINC001121905908 795702618 /nfs/dbraw/zinc/70/26/18/795702618.db2.gz NDKYUAXNQNAMCX-MRXNPFEDSA-N 1 0 301.434 2.243 20 10 DECDRO Cc1c(C[N@H+](C)C2CCS(=O)(=O)CC2)c2ccccc2n1C ZINC001138258293 796188175 /nfs/dbraw/zinc/18/81/75/796188175.db2.gz OUXQSBOZYBVPKY-UHFFFAOYSA-N 1 0 320.458 2.496 20 10 DECDRO CO[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337532 796198451 /nfs/dbraw/zinc/19/84/51/796198451.db2.gz SVKVHZBVPOUFQA-OAHLLOKOSA-N 1 0 302.418 2.312 20 10 DECDRO OC[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336187 796198892 /nfs/dbraw/zinc/19/88/92/796198892.db2.gz LSXBZQZWBMJGHP-MRXNPFEDSA-N 1 0 316.445 2.438 20 10 DECDRO CNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354512 796203772 /nfs/dbraw/zinc/20/37/72/796203772.db2.gz MAFKLURCYTWTKD-UHFFFAOYSA-N 1 0 301.434 2.027 20 10 DECDRO CN1CCCc2cc(CN3CC[C@](O)(CF)[C@@H](F)C3)ccc21 ZINC001138354986 796204111 /nfs/dbraw/zinc/20/41/11/796204111.db2.gz XSFFEWCBYUTILV-IRXDYDNUSA-N 1 0 310.388 2.313 20 10 DECDRO CC[N@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138499823 796228625 /nfs/dbraw/zinc/22/86/25/796228625.db2.gz KKLFZBBMOCWERT-UHFFFAOYSA-N 1 0 314.433 2.242 20 10 DECDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138500282 796228764 /nfs/dbraw/zinc/22/87/64/796228764.db2.gz WBKJXZDQOBQYPH-MJGOQNOKSA-N 1 0 315.461 2.049 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC001138499898 796228926 /nfs/dbraw/zinc/22/89/26/796228926.db2.gz OGAHHTHNQBUODF-UHFFFAOYSA-N 1 0 318.417 2.051 20 10 DECDRO COC(=O)c1cc(C[N@@H+]2CCc3cccc(O)c3C2)cn1C ZINC001139373448 796364449 /nfs/dbraw/zinc/36/44/49/796364449.db2.gz ARJWBXZLIMHLDB-UHFFFAOYSA-N 1 0 300.358 2.076 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCOC4)cc2)CC1 ZINC001139412784 796372039 /nfs/dbraw/zinc/37/20/39/796372039.db2.gz NRAFDDRVSJHVHA-LJQANCHMSA-N 1 0 315.461 2.193 20 10 DECDRO CCN1CCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001140060224 796472187 /nfs/dbraw/zinc/47/21/87/796472187.db2.gz PTRIPFMNZKFZSC-UHFFFAOYSA-N 1 0 306.381 2.366 20 10 DECDRO Cc1cc(CNc2nc(N)[nH+]c(N)n2)c(C)n1-c1ccccc1 ZINC001187279778 796513955 /nfs/dbraw/zinc/51/39/55/796513955.db2.gz HUJOXVNSPAKPNT-UHFFFAOYSA-N 1 0 309.377 2.056 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140659964 796551598 /nfs/dbraw/zinc/55/15/98/796551598.db2.gz ARCCMNONWGBDNS-QRTARXTBSA-N 1 0 308.372 2.452 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001140660674 796551918 /nfs/dbraw/zinc/55/19/18/796551918.db2.gz ZYUMRUZRMFYKPQ-GOSISDBHSA-N 1 0 320.408 2.417 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC001140745533 796566594 /nfs/dbraw/zinc/56/65/94/796566594.db2.gz JZFMEBPODDZWBR-UHFFFAOYSA-N 1 0 306.406 2.143 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c1O ZINC001140749770 796567388 /nfs/dbraw/zinc/56/73/88/796567388.db2.gz MGHKZTRILWQWOG-CQSZACIVSA-N 1 0 315.373 2.240 20 10 DECDRO CN(C)c1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c(Cl)c1 ZINC001140924079 796598577 /nfs/dbraw/zinc/59/85/77/796598577.db2.gz CSPARIVGQKGBAA-MRXNPFEDSA-N 1 0 323.824 2.480 20 10 DECDRO Cc1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c(O)c1 ZINC001140949456 796604968 /nfs/dbraw/zinc/60/49/68/796604968.db2.gz CIMIDAZCLHJMIL-HOTGVXAUSA-N 1 0 310.401 2.059 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(OC)c1 ZINC001141026698 796620624 /nfs/dbraw/zinc/62/06/24/796620624.db2.gz ZKMWPQSLGGVZNL-KRWDZBQOSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c(OC)c1 ZINC001141030630 796621619 /nfs/dbraw/zinc/62/16/19/796621619.db2.gz DVHSMALUGXPOET-CYBMUJFWSA-N 1 0 308.422 2.324 20 10 DECDRO COc1cc(O)c(CN2CCC([N@H+](C)C3CC3)CC2)c(OC)c1 ZINC001141030847 796621674 /nfs/dbraw/zinc/62/16/74/796621674.db2.gz NMRZCXQASARPFZ-UHFFFAOYSA-N 1 0 320.433 2.468 20 10 DECDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC001203678682 796635863 /nfs/dbraw/zinc/63/58/63/796635863.db2.gz RKOSVPXKFZKXOA-HNNXBMFYSA-N 1 0 306.406 2.282 20 10 DECDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160565 796643217 /nfs/dbraw/zinc/64/32/17/796643217.db2.gz ZGLDLZPFIQAXQJ-DLBZAZTESA-N 1 0 307.390 2.115 20 10 DECDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141163171 796644031 /nfs/dbraw/zinc/64/40/31/796644031.db2.gz SOVIQEYIWHLBQW-HNNXBMFYSA-N 1 0 315.373 2.240 20 10 DECDRO CN(C)c1cc[nH+]cc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193208993 797522096 /nfs/dbraw/zinc/52/20/96/797522096.db2.gz DPVYNLIWAUNOQX-UHFFFAOYSA-N 1 0 307.737 2.465 20 10 DECDRO CC(C)(C)[NH2+]CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000051374917 797773582 /nfs/dbraw/zinc/77/35/82/797773582.db2.gz WJQZWGQRDORHBC-UHFFFAOYSA-N 1 0 321.490 2.244 20 10 DECDRO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000051384203 797778247 /nfs/dbraw/zinc/77/82/47/797778247.db2.gz LCSFRWKLNPITSR-AWEZNQCLSA-N 1 0 319.449 2.089 20 10 DECDRO CC[N@H+](CCF)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157209865 798163109 /nfs/dbraw/zinc/16/31/09/798163109.db2.gz ODBVDNUPOLZSAD-LLVKDONJSA-N 1 0 323.372 2.259 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC001199720934 798526688 /nfs/dbraw/zinc/52/66/88/798526688.db2.gz CAHKMUPYLKMBEP-DZGCQCFKSA-N 1 0 322.424 2.444 20 10 DECDRO CC(C)(C)NC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001202490160 798962620 /nfs/dbraw/zinc/96/26/20/798962620.db2.gz DWTAGIGRDQNVNE-UHFFFAOYSA-N 1 0 305.422 2.454 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)c1 ZINC000886360672 799395444 /nfs/dbraw/zinc/39/54/44/799395444.db2.gz ZKYDFFSYNQDKEE-CJNGLKHVSA-N 1 0 309.406 2.322 20 10 DECDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc(Br)cc1O ZINC000717744161 799430361 /nfs/dbraw/zinc/43/03/61/799430361.db2.gz LMWJCBBHBXVVGK-SECBINFHSA-N 1 0 310.138 2.260 20 10 DECDRO COc1cnc(OC2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC001203561402 800080305 /nfs/dbraw/zinc/08/03/05/800080305.db2.gz UWZBJXQLXQPPOT-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccccn1 ZINC001203561290 800080318 /nfs/dbraw/zinc/08/03/18/800080318.db2.gz PGMZYKVYSIKNQR-OAHLLOKOSA-N 1 0 311.385 2.182 20 10 DECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC001203561700 800080507 /nfs/dbraw/zinc/08/05/07/800080507.db2.gz YDJPDIFSRNNKAY-OAHLLOKOSA-N 1 0 303.406 2.162 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001203601670 800087963 /nfs/dbraw/zinc/08/79/63/800087963.db2.gz GKVOJOBCHRLJHC-OAHLLOKOSA-N 1 0 318.417 2.282 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001203617029 800092056 /nfs/dbraw/zinc/09/20/56/800092056.db2.gz GNHNGGQCPANTTC-OAHLLOKOSA-N 1 0 318.417 2.282 20 10 DECDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001203627921 800094031 /nfs/dbraw/zinc/09/40/31/800094031.db2.gz RWGAOLKOZPGZCC-MRXNPFEDSA-N 1 0 318.417 2.378 20 10 DECDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001203634940 800096453 /nfs/dbraw/zinc/09/64/53/800096453.db2.gz BZOWHVRUQTZFKI-HOTGVXAUSA-N 1 0 308.397 2.409 20 10 DECDRO CCO[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001203671743 800103401 /nfs/dbraw/zinc/10/34/01/800103401.db2.gz WBBJTTIXICCVQX-OIISXLGYSA-N 1 0 307.390 2.169 20 10 DECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203680231 800105561 /nfs/dbraw/zinc/10/55/61/800105561.db2.gz NCNBXQFJNKXKDI-OBJOEFQTSA-N 1 0 305.374 2.174 20 10 DECDRO Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203883120 800139365 /nfs/dbraw/zinc/13/93/65/800139365.db2.gz FGUAOFZUBKSSTA-AWEZNQCLSA-N 1 0 315.373 2.240 20 10 DECDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882756 800139664 /nfs/dbraw/zinc/13/96/64/800139664.db2.gz UOLLYLIYNSPJPJ-CYBMUJFWSA-N 1 0 322.405 2.444 20 10 DECDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878843 800139737 /nfs/dbraw/zinc/13/97/37/800139737.db2.gz DKOFUKMYOJLIAC-UHFFFAOYSA-N 1 0 306.406 2.177 20 10 DECDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(C)C)cc3)CC[N@@H+]2C1 ZINC001203933278 800147690 /nfs/dbraw/zinc/14/76/90/800147690.db2.gz KFSNUQCXPVZFSZ-ZWKOTPCHSA-N 1 0 303.450 2.048 20 10 DECDRO COCCCC[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937335 800149227 /nfs/dbraw/zinc/14/92/27/800149227.db2.gz VKHFEXUBNZJWGE-UHFFFAOYSA-N 1 0 305.466 2.297 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc(O)c1O ZINC001204345173 800206816 /nfs/dbraw/zinc/20/68/16/800206816.db2.gz NMZHVYOTHFXMFY-AWEZNQCLSA-N 1 0 300.358 2.491 20 10 DECDRO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205117790 800299489 /nfs/dbraw/zinc/29/94/89/800299489.db2.gz VPYQGWCUAICCMT-OAHLLOKOSA-N 1 0 323.868 2.490 20 10 DECDRO [NH3+][C@H]1CCCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001205123427 800299645 /nfs/dbraw/zinc/29/96/45/800299645.db2.gz AWRJQISTIYNTAU-JTQLQIEISA-N 1 0 315.211 2.174 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934263146 800303930 /nfs/dbraw/zinc/30/39/30/800303930.db2.gz BITVZLKARFUSBC-RTBURBONSA-N 1 0 317.477 2.174 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Br ZINC001205196769 800313986 /nfs/dbraw/zinc/31/39/86/800313986.db2.gz AKGMZSDTPCQWBN-LDYMZIIASA-N 1 0 315.211 2.085 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC001205639823 800392902 /nfs/dbraw/zinc/39/29/02/800392902.db2.gz MVWKVVLZMINBED-CQSZACIVSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCCC[C@](F)(C[NH3+])C1 ZINC001206361231 800517635 /nfs/dbraw/zinc/51/76/35/800517635.db2.gz GUCJIMZMDPXLGT-KRWDZBQOSA-N 1 0 309.429 2.414 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(OC)c1 ZINC001206416268 800527639 /nfs/dbraw/zinc/52/76/39/800527639.db2.gz YPTCPGSETUHVIA-GJZGRUSLSA-N 1 0 309.429 2.413 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H](O)c2c(C)nn(C)c2C)c1O ZINC001207787912 800833676 /nfs/dbraw/zinc/83/36/76/800833676.db2.gz ROEVOXYHKVLMJX-HNNXBMFYSA-N 1 0 303.406 2.128 20 10 DECDRO COc1ccc(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208603294 801026295 /nfs/dbraw/zinc/02/62/95/801026295.db2.gz AHXGWXGEYCHJTH-MRXNPFEDSA-N 1 0 303.450 2.159 20 10 DECDRO COc1cc(N2CC[NH2+]CC2)ccc1N(C)c1ccc(N)cc1 ZINC001213902234 801653105 /nfs/dbraw/zinc/65/31/05/801653105.db2.gz ZODIWIUISDVFDV-UHFFFAOYSA-N 1 0 312.417 2.455 20 10 DECDRO COc1ccc(Br)c(CN(C)CC[NH+](C)C)c1O ZINC001231548557 801686378 /nfs/dbraw/zinc/68/63/78/801686378.db2.gz VTVARPFKHWZSQP-UHFFFAOYSA-N 1 0 317.227 2.157 20 10 DECDRO COc1ccc(Br)c(C[N@H+](C)CC2COC2)c1O ZINC001231554561 801686761 /nfs/dbraw/zinc/68/67/61/801686761.db2.gz XWXYUQYEFKOBBC-UHFFFAOYSA-N 1 0 316.195 2.242 20 10 DECDRO COc1cnc(O[C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)nc1 ZINC001231594446 801692385 /nfs/dbraw/zinc/69/23/85/801692385.db2.gz FFHYFMAZYCMOLY-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231636350 801700479 /nfs/dbraw/zinc/70/04/79/801700479.db2.gz SWNRRWYGVVYVTA-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231639216 801701592 /nfs/dbraw/zinc/70/15/92/801701592.db2.gz FRAOEFFUPULHDO-LBPRGKRZSA-N 1 0 323.389 2.272 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(O)c1 ZINC001231850376 801737610 /nfs/dbraw/zinc/73/76/10/801737610.db2.gz OCVPTDWSHQQARI-HUUCEWRRSA-N 1 0 304.434 2.302 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001231854201 801739398 /nfs/dbraw/zinc/73/93/98/801739398.db2.gz BITBJYRXHRELOY-UHFFFAOYSA-N 1 0 313.401 2.420 20 10 DECDRO CNC(=O)C1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232264522 801832426 /nfs/dbraw/zinc/83/24/26/801832426.db2.gz IEVXCPXRUDYMSL-UHFFFAOYSA-N 1 0 312.797 2.012 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC[C@](C)(O)C2)c2ccccc2n1C ZINC001232408280 801873035 /nfs/dbraw/zinc/87/30/35/801873035.db2.gz YRLPFPSOBCOELL-SFHVURJKSA-N 1 0 316.401 2.312 20 10 DECDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010199 802001194 /nfs/dbraw/zinc/00/11/94/802001194.db2.gz NHOUEYXFQCGMRF-KRWDZBQOSA-N 1 0 323.389 2.359 20 10 DECDRO Oc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)cc(O)c1O ZINC001233011526 802002980 /nfs/dbraw/zinc/00/29/80/802002980.db2.gz CFJZFQSGJHCFQM-AWEZNQCLSA-N 1 0 300.358 2.406 20 10 DECDRO CCCC[NH+]1CCC(N(C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014954 802003460 /nfs/dbraw/zinc/00/34/60/802003460.db2.gz CFEWSHJZLLHANH-UHFFFAOYSA-N 1 0 308.422 2.500 20 10 DECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C2)cc1Br ZINC001233134688 802034057 /nfs/dbraw/zinc/03/40/57/802034057.db2.gz BKBHIWMUEBFCRC-SNVBAGLBSA-N 1 0 316.195 2.384 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1 ZINC001233284347 802063728 /nfs/dbraw/zinc/06/37/28/802063728.db2.gz QZOHNZLNILUJII-WMZOPIPTSA-N 1 0 307.434 2.255 20 10 DECDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001233452256 802121562 /nfs/dbraw/zinc/12/15/62/802121562.db2.gz PFNAUVGIVXQFID-AWEZNQCLSA-N 1 0 317.307 2.402 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCN(c3ccccc3)CC2)cc1O ZINC001233482484 802125786 /nfs/dbraw/zinc/12/57/86/802125786.db2.gz PFCRHYWIHUIHJT-UHFFFAOYSA-N 1 0 300.358 2.126 20 10 DECDRO Cc1cc(O[C@H]2CC[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218181141 802150728 /nfs/dbraw/zinc/15/07/28/802150728.db2.gz IABJSUKPXZQSHS-NSHDSACASA-N 1 0 323.348 2.217 20 10 DECDRO CCCCOC(=O)[C@@H](C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218215025 802155095 /nfs/dbraw/zinc/15/50/95/802155095.db2.gz RRCQIVQBJWQWGU-CQSZACIVSA-N 1 0 306.406 2.207 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727629 802191023 /nfs/dbraw/zinc/19/10/23/802191023.db2.gz NOQZCGKLXHYQLB-JTQLQIEISA-N 1 0 319.279 2.286 20 10 DECDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233754327 802196841 /nfs/dbraw/zinc/19/68/41/802196841.db2.gz DKGRGZUQQAFXES-SNVBAGLBSA-N 1 0 318.295 2.131 20 10 DECDRO C[NH+](C)C1(C)CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233761355 802200274 /nfs/dbraw/zinc/20/02/74/802200274.db2.gz SIRDVPPNOWRQSZ-UHFFFAOYSA-N 1 0 304.312 2.427 20 10 DECDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001218581644 802208813 /nfs/dbraw/zinc/20/88/13/802208813.db2.gz OAKYRQVNVGZOMI-YCHJVTOXSA-N 1 0 322.372 2.071 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC001234518833 802399839 /nfs/dbraw/zinc/39/98/39/802399839.db2.gz OKBILDKCUARLOV-CYBMUJFWSA-N 1 0 314.385 2.251 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000315143778 802453572 /nfs/dbraw/zinc/45/35/72/802453572.db2.gz BYKIAIXMEVQZFW-INIZCTEOSA-N 1 0 303.450 2.491 20 10 DECDRO CN1CCOc2cc(CN3CCC[C@]34CCC[NH2+]C4)ccc21 ZINC001222247675 802661212 /nfs/dbraw/zinc/66/12/12/802661212.db2.gz HVZMMGVLABKTGC-SFHVURJKSA-N 1 0 301.434 2.233 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CC3(C2)C[NH2+]CCO3)cc1 ZINC001222441574 802686582 /nfs/dbraw/zinc/68/65/82/802686582.db2.gz KTVTXEUAEOERSI-UHFFFAOYSA-N 1 0 311.429 2.268 20 10 DECDRO COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001224411471 802865629 /nfs/dbraw/zinc/86/56/29/802865629.db2.gz QSOHYBIOHGMGKK-HZPDHXFCSA-N 1 0 320.433 2.167 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001335666020 1150494735 /nfs/dbraw/zinc/49/47/35/1150494735.db2.gz NNORWVMBNPSYMY-HNNXBMFYSA-N 1 0 304.438 2.188 20 10 DECDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC001335969587 1150571162 /nfs/dbraw/zinc/57/11/62/1150571162.db2.gz WZBAQIVQKXDTMQ-CQSZACIVSA-N 1 0 304.438 2.188 20 10 DECDRO CC(C)C[C@@H]([NH3+])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC001343407626 1150740008 /nfs/dbraw/zinc/74/00/08/1150740008.db2.gz HJNZJTFPVYNGLQ-MRXNPFEDSA-N 1 0 303.450 2.449 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001605875497 1070958949 /nfs/dbraw/zinc/95/89/49/1070958949.db2.gz HBMDHHAEKGZDLE-MRXNPFEDSA-N 1 0 321.384 2.138 20 10 DECDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001474030689 1060799296 /nfs/dbraw/zinc/79/92/96/1060799296.db2.gz LWYNXCVXJBTYRP-INIZCTEOSA-N 1 0 303.450 2.097 20 10 DECDRO CCn1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001474205523 1060831329 /nfs/dbraw/zinc/83/13/29/1060831329.db2.gz GZVNCKQBBXGNAU-OAHLLOKOSA-N 1 0 300.406 2.280 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1 ZINC001474602114 1060903935 /nfs/dbraw/zinc/90/39/35/1060903935.db2.gz KKGFQJWHZTZDBZ-AWEZNQCLSA-N 1 0 300.406 2.291 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(OCCO)CCOC1 ZINC001327265816 1148505594 /nfs/dbraw/zinc/50/55/94/1148505594.db2.gz FJGRXNNASQWODF-QWQRMKEZSA-N 1 0 321.417 2.007 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cnco2)cc1C ZINC001480780524 1063335741 /nfs/dbraw/zinc/33/57/41/1063335741.db2.gz HMRUOAXEILOGSM-CYBMUJFWSA-N 1 0 317.389 2.290 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001329174675 1148871435 /nfs/dbraw/zinc/87/14/35/1148871435.db2.gz YANDZAQDRHZBBD-HUUCEWRRSA-N 1 0 305.422 2.373 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cscn2)cc1C ZINC001568984751 1065226388 /nfs/dbraw/zinc/22/63/88/1065226388.db2.gz ZMHCRGKCCDZWLT-GFCCVEGCSA-N 1 0 319.430 2.368 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])c(C)n1-c1ccccn1 ZINC001514533673 1068719758 /nfs/dbraw/zinc/71/97/58/1068719758.db2.gz ZHMUYRWGBFKCPU-BEFAXECRSA-N 1 0 324.428 2.443 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)Cc3ccccc3O)C[N@@H+]2C1 ZINC001521256182 1069225600 /nfs/dbraw/zinc/22/56/00/1069225600.db2.gz XKHWOWXQBXQHDY-VNQPRFMTSA-N 1 0 302.418 2.471 20 10 DECDRO O=C(NCCC1CC[NH2+]CC1)NCc1cccc(Cl)c1O ZINC001580676130 1075974655 /nfs/dbraw/zinc/97/46/55/1075974655.db2.gz HNDXQXJJAFJSNV-UHFFFAOYSA-N 1 0 311.813 2.235 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(-c2nn[nH]n2)ccn1 ZINC001589970531 1076540339 /nfs/dbraw/zinc/54/03/39/1076540339.db2.gz OSPFHLILIDDLMV-NSHDSACASA-N 1 0 322.372 2.047 20 10 DECDRO C[C@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001589972343 1076541233 /nfs/dbraw/zinc/54/12/33/1076541233.db2.gz BDBMOWBXVMYORX-LBPRGKRZSA-N 1 0 323.404 2.179 20 10 DECDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1-c1nn[nH]n1 ZINC001591968100 1076819455 /nfs/dbraw/zinc/81/94/55/1076819455.db2.gz AXPOCHPTFMPVGQ-UHFFFAOYSA-N 1 0 321.384 2.400 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnco2)cc1C ZINC001267996705 1079676302 /nfs/dbraw/zinc/67/63/02/1079676302.db2.gz MBHKPGIDPKUUKQ-LBPRGKRZSA-N 1 0 317.389 2.147 20 10 DECDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C(C)C)ccc1O ZINC001652975391 1079908442 /nfs/dbraw/zinc/90/84/42/1079908442.db2.gz OWWTZKMCCLHZCR-CZUORRHYSA-N 1 0 307.390 2.183 20 10 DECDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655597110 1080008139 /nfs/dbraw/zinc/00/81/39/1080008139.db2.gz KNHJHYQYLBJUHD-KBXCAEBGSA-N 1 0 323.456 2.074 20 10 DECDRO CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CCOCC1 ZINC001656692103 1080114493 /nfs/dbraw/zinc/11/44/93/1080114493.db2.gz MTBAHPGKYJIYDP-SFHVURJKSA-N 1 0 318.461 2.458 20 10 DECDRO CN(C)C(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC001657002562 1080146018 /nfs/dbraw/zinc/14/60/18/1080146018.db2.gz AGAHKBSJDLCHNB-UHFFFAOYSA-N 1 0 318.396 2.211 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1(N2CCOCC2)CC1 ZINC001657294691 1080168562 /nfs/dbraw/zinc/16/85/62/1080168562.db2.gz KHZQUTHLRJKFBJ-UHFFFAOYSA-N 1 0 313.445 2.441 20 10 DECDRO COCCOC[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001658808599 1080218930 /nfs/dbraw/zinc/21/89/30/1080218930.db2.gz YEDFFHHWKKNJDU-AWEZNQCLSA-N 1 0 309.406 2.194 20 10 DECDRO COc1cccc(C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)c1O ZINC001659116948 1080232073 /nfs/dbraw/zinc/23/20/73/1080232073.db2.gz RYSNZNFWSBQADG-UHFFFAOYSA-N 1 0 310.357 2.476 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC2(OCCO)CCCCC2)c1 ZINC001660831863 1080405046 /nfs/dbraw/zinc/40/50/46/1080405046.db2.gz RZUYQDPKFSCLAZ-UHFFFAOYSA-N 1 0 309.406 2.202 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccnc2)cc1C ZINC001268636516 1080907656 /nfs/dbraw/zinc/90/76/56/1080907656.db2.gz GGBWGQMZDRHLBR-CQSZACIVSA-N 1 0 313.401 2.307 20 10 DECDRO Oc1cc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc(O)c1O ZINC001276833008 1083637354 /nfs/dbraw/zinc/63/73/54/1083637354.db2.gz GNALTMABZFZAET-UHFFFAOYSA-N 1 0 318.417 2.254 20 10 DECDRO CCN(C(=O)[C@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2)C(C)C ZINC001277192780 1083839468 /nfs/dbraw/zinc/83/94/68/1083839468.db2.gz SYBBDLCZNQFFPC-OAHLLOKOSA-N 1 0 318.417 2.177 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c1O ZINC001277453638 1083979492 /nfs/dbraw/zinc/97/94/92/1083979492.db2.gz DKVOQNPSCAFDLE-RDTXWAMCSA-N 1 0 318.417 2.268 20 10 DECDRO COc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001277454735 1083980209 /nfs/dbraw/zinc/98/02/09/1083980209.db2.gz ZCAIFTBORQOQTD-CQSZACIVSA-N 1 0 318.417 2.137 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c(Cl)c1 ZINC001277550363 1084032712 /nfs/dbraw/zinc/03/27/12/1084032712.db2.gz AZQZBYRICBNGEF-AWEZNQCLSA-N 1 0 321.852 2.493 20 10 DECDRO CCN(C(=O)C12CC([NH2+]Cc3cc(O)ccc3O)(C1)C2)C(C)C ZINC001277659669 1084080824 /nfs/dbraw/zinc/08/08/24/1084080824.db2.gz CEVCIWWYJUAUDQ-UHFFFAOYSA-N 1 0 318.417 2.367 20 10 DECDRO Cc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC001235048837 1084286405 /nfs/dbraw/zinc/28/64/05/1084286405.db2.gz KHFCWBHPYLYUPR-QWHCGFSZSA-N 1 0 311.223 2.399 20 10 DECDRO CCN(CC)c1ccc(CN2CCC[C@@H]3[NH2+]C[C@@H]32)c(OC)c1 ZINC001235295257 1084376830 /nfs/dbraw/zinc/37/68/30/1084376830.db2.gz JEYSOGXUAIUVSK-IRXDYDNUSA-N 1 0 303.450 2.478 20 10 DECDRO Cc1cc(Br)cc(CN2CCC[C@H]3[NH2+]C[C@H]32)c1O ZINC001235302733 1084380887 /nfs/dbraw/zinc/38/08/87/1084380887.db2.gz JDIQAZTVQDBIOO-CHWSQXEVSA-N 1 0 311.223 2.399 20 10 DECDRO CC[C@@H](C)N1CC[C@]2(CCCN2Cc2ccc(O)c(O)c2)C1=O ZINC001272903422 1084455232 /nfs/dbraw/zinc/45/52/32/1084455232.db2.gz SYSDUBMUOVNMNZ-FZKQIMNGSA-N 1 0 318.417 2.463 20 10 DECDRO CN1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1=O ZINC001235679933 1084496877 /nfs/dbraw/zinc/49/68/77/1084496877.db2.gz RCXYVAIHZFSPFB-HIFRSBDPSA-N 1 0 302.418 2.210 20 10 DECDRO CC1(C)CN(Cc2ccc(N3CCOCC3)cc2Cl)CC[NH2+]1 ZINC001235837288 1084541992 /nfs/dbraw/zinc/54/19/92/1084541992.db2.gz BCGGFRWFMPMLKS-UHFFFAOYSA-N 1 0 323.868 2.360 20 10 DECDRO Cc1nc2c(ccn2C)c(-c2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC001235967362 1084573465 /nfs/dbraw/zinc/57/34/65/1084573465.db2.gz ITUARJNNJACZQG-UHFFFAOYSA-N 1 0 322.416 2.091 20 10 DECDRO COCCOCCC[NH2+]Cc1ccc(Br)cc1O ZINC000701095651 1086352760 /nfs/dbraw/zinc/35/27/60/1086352760.db2.gz UDUCACFYUJXFEV-UHFFFAOYSA-N 1 0 318.211 2.297 20 10 DECDRO Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c1O ZINC001276079587 1091514893 /nfs/dbraw/zinc/51/48/93/1091514893.db2.gz AMULODVGRFPAJE-UHFFFAOYSA-N 1 0 317.433 2.326 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(O)c1 ZINC001276168595 1091627460 /nfs/dbraw/zinc/62/74/60/1091627460.db2.gz GTCKBWBYXVDTMY-IRXDYDNUSA-N 1 0 312.417 2.273 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c(O)c1OC ZINC001352007542 1151652965 /nfs/dbraw/zinc/65/29/65/1151652965.db2.gz YGAGTQIHGKNWEW-BFHYXJOUSA-N 1 0 307.390 2.457 20 10 DECDRO CC(C)N(Cc1ccc2c(c1)OCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001236467818 1138366558 /nfs/dbraw/zinc/36/65/58/1138366558.db2.gz KEQZZOJFISKJJT-MRXNPFEDSA-N 1 0 303.450 2.478 20 10 DECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236751816 1138407227 /nfs/dbraw/zinc/40/72/27/1138407227.db2.gz JTYQKBWTIRPTBZ-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)CCO1 ZINC001236793128 1138429393 /nfs/dbraw/zinc/42/93/93/1138429393.db2.gz ICHPXJPQBAUJOO-LLVKDONJSA-N 1 0 319.232 2.461 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCC2OCCO2)c(Cl)c1 ZINC001236803487 1138433629 /nfs/dbraw/zinc/43/36/29/1138433629.db2.gz OGKAHTRCWAYJQY-UHFFFAOYSA-N 1 0 301.770 2.249 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(n3cnnc3)CC2)c(O)c1 ZINC001236810474 1138436790 /nfs/dbraw/zinc/43/67/90/1138436790.db2.gz HPRFJKOLLYKCMD-UHFFFAOYSA-N 1 0 302.378 2.138 20 10 DECDRO C[C@H]1CC(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933146 1138461143 /nfs/dbraw/zinc/46/11/43/1138461143.db2.gz VPDGAXSVZVKSJD-AWEZNQCLSA-N 1 0 319.424 2.131 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237051542 1138488644 /nfs/dbraw/zinc/48/86/44/1138488644.db2.gz NIPMUNOTYSSLRJ-HNNXBMFYSA-N 1 0 305.422 2.409 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237053371 1138491000 /nfs/dbraw/zinc/49/10/00/1138491000.db2.gz KSPVJWTXLCGOCL-AAEUAGOBSA-N 1 0 323.286 2.238 20 10 DECDRO OC[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237057301 1138493389 /nfs/dbraw/zinc/49/33/89/1138493389.db2.gz QITHSKCZZIEESC-JTQLQIEISA-N 1 0 305.296 2.148 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CC(C2COC2)C1 ZINC001237119355 1138506778 /nfs/dbraw/zinc/50/67/78/1138506778.db2.gz FRPBDZVEKRWIGD-UHFFFAOYSA-N 1 0 303.280 2.369 20 10 DECDRO CC[C@H]([NH3+])CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237206426 1138532466 /nfs/dbraw/zinc/53/24/66/1138532466.db2.gz VGUGVRXEQYNILF-LBPRGKRZSA-N 1 0 317.355 2.445 20 10 DECDRO CCC1=NC2(CC[NH+](Cc3c(C)cccc3O)CC2)C(=O)N1C ZINC001237494484 1138657745 /nfs/dbraw/zinc/65/77/45/1138657745.db2.gz JLLHHUTWTPGIGB-UHFFFAOYSA-N 1 0 315.417 2.316 20 10 DECDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c(O)c(OC)c1 ZINC001237669803 1138746371 /nfs/dbraw/zinc/74/63/71/1138746371.db2.gz OIVFBYKJVUEUKT-UHFFFAOYSA-N 1 0 308.422 2.183 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c(O)c(OC)c1 ZINC001237668393 1138746940 /nfs/dbraw/zinc/74/69/40/1138746940.db2.gz DHZDPXJKNOONNY-AWEZNQCLSA-N 1 0 321.417 2.394 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1O ZINC001237678408 1138752667 /nfs/dbraw/zinc/75/26/67/1138752667.db2.gz BLFGLCUBFGSWJS-MRXNPFEDSA-N 1 0 308.809 2.456 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237678298 1138753346 /nfs/dbraw/zinc/75/33/46/1138753346.db2.gz MLLOXGHGGVPKAW-WCQYABFASA-N 1 0 323.389 2.040 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1O ZINC001238067403 1138819798 /nfs/dbraw/zinc/81/97/98/1138819798.db2.gz SXUITPCTIPUEGU-CQSZACIVSA-N 1 0 303.337 2.283 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NCC(F)F)c1O ZINC001278354053 1140042829 /nfs/dbraw/zinc/04/28/29/1140042829.db2.gz CXSRUXPJXUGYSO-PXAZEXFGSA-N 1 0 324.371 2.355 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1O ZINC001278358087 1140074173 /nfs/dbraw/zinc/07/41/73/1140074173.db2.gz PJTMRPOKFTULCH-HNAYVOBHSA-N 1 0 312.413 2.372 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCOC3)cc2F)CC1 ZINC001318471430 1140342162 /nfs/dbraw/zinc/34/21/62/1140342162.db2.gz OMMWCDJWAZLGHV-GOSISDBHSA-N 1 0 321.440 2.094 20 10 DECDRO COc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1O ZINC001318835083 1140431532 /nfs/dbraw/zinc/43/15/32/1140431532.db2.gz BKQJHDCZZZQZBR-KBPBESRZSA-N 1 0 321.421 2.073 20 10 DECDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319702440 1140675643 /nfs/dbraw/zinc/67/56/43/1140675643.db2.gz QPTBAEUCCLVURP-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnnn1CC1CC1 ZINC001320627378 1140887332 /nfs/dbraw/zinc/88/73/32/1140887332.db2.gz BVAOFXJMTGEJBJ-DGCLKSJQSA-N 1 0 313.405 2.435 20 10 DECDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C(F)F ZINC001320661044 1140891062 /nfs/dbraw/zinc/89/10/62/1140891062.db2.gz QYKXEHGAUBLNAC-UHFFFAOYSA-N 1 0 300.349 2.207 20 10 DECDRO CC(C)(C)[NH2+]CC(=O)NCc1cccc(Br)c1O ZINC001321160850 1141070610 /nfs/dbraw/zinc/07/06/10/1141070610.db2.gz BFUNPAGJWOPEOR-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001249171498 1141856842 /nfs/dbraw/zinc/85/68/42/1141856842.db2.gz CMGONZLMXHFXFM-WBVHZDCISA-N 1 0 319.401 2.109 20 10 DECDRO CN1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC1=O ZINC001249245078 1141864249 /nfs/dbraw/zinc/86/42/49/1141864249.db2.gz WHKHVPRYNISMMZ-UHFFFAOYSA-N 1 0 316.401 2.241 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1cnc(N)nc1C(F)(F)F ZINC001249395304 1141881674 /nfs/dbraw/zinc/88/16/74/1141881674.db2.gz BFOGCKSXXCMWFG-UHFFFAOYSA-N 1 0 312.295 2.415 20 10 DECDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[nH]n1 ZINC001251724671 1142496538 /nfs/dbraw/zinc/49/65/38/1142496538.db2.gz MZKKOZDAQBIRRL-UHFFFAOYSA-N 1 0 318.396 2.108 20 10 DECDRO C[C@@H](c1nc(-c2ccc(O)c(O)c2)cs1)N1CC[NH2+]CC1 ZINC001337621781 1142775117 /nfs/dbraw/zinc/77/51/17/1142775117.db2.gz KUUNGNMMNBSFJR-JTQLQIEISA-N 1 0 305.403 2.188 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC001337841059 1142804337 /nfs/dbraw/zinc/80/43/37/1142804337.db2.gz YISNMSNTXFIFBB-CTYIDZIISA-N 1 0 304.438 2.069 20 10 DECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001338188015 1142836641 /nfs/dbraw/zinc/83/66/41/1142836641.db2.gz QFIFSTHSEIUPQO-IYBDPMFKSA-N 1 0 321.440 2.092 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC001338596472 1142865748 /nfs/dbraw/zinc/86/57/48/1142865748.db2.gz QFQIHBNJFZJZCC-XABYNWHXSA-N 1 0 302.422 2.006 20 10 DECDRO C[C@H](NC(=O)c1cnc(C2CC[NH2+]CC2)o1)c1ccccc1O ZINC001340914712 1143491964 /nfs/dbraw/zinc/49/19/64/1143491964.db2.gz AXUYUBCDHKITML-NSHDSACASA-N 1 0 315.373 2.338 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001341125889 1143544710 /nfs/dbraw/zinc/54/47/10/1143544710.db2.gz ZBLRNKOTJWNVAQ-DFBGVHRSSA-N 1 0 306.381 2.458 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001341125890 1143544916 /nfs/dbraw/zinc/54/49/16/1143544916.db2.gz ZBLRNKOTJWNVAQ-GLQYFDAESA-N 1 0 306.381 2.458 20 10 DECDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(O)cc1O ZINC001255802672 1143807299 /nfs/dbraw/zinc/80/72/99/1143807299.db2.gz LHZTXNNUNVFQOA-LBPRGKRZSA-N 1 0 321.398 2.050 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C2(C3CC[NH2+]CC3)CC2)cc1 ZINC001263111009 1144356941 /nfs/dbraw/zinc/35/69/41/1144356941.db2.gz OQZFPEPSTTXSGZ-UHFFFAOYSA-N 1 0 315.461 2.491 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384364567 1144420239 /nfs/dbraw/zinc/42/02/39/1144420239.db2.gz GIDAXOINMCJIAS-YOEHRIQHSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001265981581 1144775950 /nfs/dbraw/zinc/77/59/50/1144775950.db2.gz XJQCGOZYLXSEHK-UHFFFAOYSA-N 1 0 305.382 2.309 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccn(C)c2)cc1C ZINC001317237739 1147681171 /nfs/dbraw/zinc/68/11/71/1147681171.db2.gz FXOJDFGDZMHPQA-CQSZACIVSA-N 1 0 315.417 2.250 20 10 DECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326452469 1148103186 /nfs/dbraw/zinc/10/31/86/1148103186.db2.gz QUGLJWJMBPHTFH-HNNXBMFYSA-N 1 0 323.456 2.218 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001326483123 1148111524 /nfs/dbraw/zinc/11/15/24/1148111524.db2.gz BUHVZLQHFKMETQ-ZFWWWQNUSA-N 1 0 323.433 2.477 20 10 DECDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000296806846 529695838 /nfs/dbraw/zinc/69/58/38/529695838.db2.gz FFBOFXZWADVZDT-IYNGYCSASA-N 1 0 304.390 2.054 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000043862427 539337004 /nfs/dbraw/zinc/33/70/04/539337004.db2.gz VTRCQNOSDUJSQK-IAGOWNOFSA-N 1 0 316.449 2.179 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000372856129 529781187 /nfs/dbraw/zinc/78/11/87/529781187.db2.gz HZSSNBVJVUVYSG-MRXNPFEDSA-N 1 0 301.434 2.101 20 10 DECDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000418101550 529989578 /nfs/dbraw/zinc/98/95/78/529989578.db2.gz SEXKWQSVNPYACW-AWEZNQCLSA-N 1 0 314.433 2.380 20 10 DECDRO CCc1cccc2c1N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CC2 ZINC000592516618 357891778 /nfs/dbraw/zinc/89/17/78/357891778.db2.gz RGXDPOYOJULDHL-OAHLLOKOSA-N 1 0 324.428 2.485 20 10 DECDRO COc1ccc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1 ZINC000593912684 358170294 /nfs/dbraw/zinc/17/02/94/358170294.db2.gz PBYHEZCPCAAHIA-GFCCVEGCSA-N 1 0 314.389 2.004 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000091896043 193123944 /nfs/dbraw/zinc/12/39/44/193123944.db2.gz SZAFRIWHQHJZCW-UHFFFAOYSA-N 1 0 307.390 2.172 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(OCCOC)CC2)c1 ZINC000093339671 193235430 /nfs/dbraw/zinc/23/54/30/193235430.db2.gz CSQFSVPWSAOCGQ-UHFFFAOYSA-N 1 0 309.406 2.418 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c1O ZINC000378347694 533480442 /nfs/dbraw/zinc/48/04/42/533480442.db2.gz BIUZIQQEEFUKRF-ZDUSSCGKSA-N 1 0 303.362 2.472 20 10 DECDRO COc1cccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000227689189 533516938 /nfs/dbraw/zinc/51/69/38/533516938.db2.gz GYIQVQYGPSXRGK-LLVKDONJSA-N 1 0 310.394 2.404 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297404112 533520017 /nfs/dbraw/zinc/52/00/17/533520017.db2.gz SRVHRVREVWGNGS-NVXWUHKLSA-N 1 0 305.466 2.250 20 10 DECDRO Cc1cc(C)nc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000272992426 130080225 /nfs/dbraw/zinc/08/02/25/130080225.db2.gz XGPOFGPCBXJZLX-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)CCc1ccccc1)OCO2 ZINC000273047510 130085352 /nfs/dbraw/zinc/08/53/52/130085352.db2.gz BUNFPEQOVVBEAC-HNNXBMFYSA-N 1 0 315.369 2.204 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2ncn(C)n2)c1O ZINC000275476288 130325192 /nfs/dbraw/zinc/32/51/92/130325192.db2.gz DFASZTOZBBQLMZ-QMMMGPOBSA-N 1 0 308.769 2.228 20 10 DECDRO Cc1cc(C[NH2+]Cc2cc(Br)ccc2O)n(C)n1 ZINC000284081057 131046833 /nfs/dbraw/zinc/04/68/33/131046833.db2.gz VAWRADTUQGGNRX-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO C[C@H]([NH2+]Cc1cnnn1C)c1cc(Br)ccc1O ZINC000287515756 131284381 /nfs/dbraw/zinc/28/43/81/131284381.db2.gz ZKWZGDNNVYEBOP-QMMMGPOBSA-N 1 0 311.183 2.134 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(O)c1O ZINC000371180555 292054132 /nfs/dbraw/zinc/05/41/32/292054132.db2.gz LEZJDAMUPMDNQB-ZDUSSCGKSA-N 1 0 304.390 2.107 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000119854171 401969032 /nfs/dbraw/zinc/96/90/32/401969032.db2.gz MRSFDAGJGJQZAR-ZFWWWQNUSA-N 1 0 316.449 2.177 20 10 DECDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000120474613 401990968 /nfs/dbraw/zinc/99/09/68/401990968.db2.gz BULBHMMQWIIRRF-UHFFFAOYSA-N 1 0 307.413 2.334 20 10 DECDRO COc1cccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1O ZINC000093769676 402020235 /nfs/dbraw/zinc/02/02/35/402020235.db2.gz NFQBOBXFSWCDLH-UHFFFAOYSA-N 1 0 322.449 2.191 20 10 DECDRO COc1cccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1O ZINC000121312208 402027532 /nfs/dbraw/zinc/02/75/32/402027532.db2.gz NFAUPMCKTCYCDI-UHFFFAOYSA-N 1 0 308.422 2.431 20 10 DECDRO CC(C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N1CCCC1 ZINC000063255942 402112186 /nfs/dbraw/zinc/11/21/86/402112186.db2.gz ATEWFJJLPAHYAW-CQSZACIVSA-N 1 0 306.406 2.331 20 10 DECDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000153160158 402130261 /nfs/dbraw/zinc/13/02/61/402130261.db2.gz YQDFYNJDWVFZCB-MRXNPFEDSA-N 1 0 319.449 2.075 20 10 DECDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)c(C)n1-c1ccccn1 ZINC000066924036 402147053 /nfs/dbraw/zinc/14/70/53/402147053.db2.gz HSMKLZLLQPICIL-UHFFFAOYSA-N 1 0 312.417 2.313 20 10 DECDRO COc1ccc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000125177100 402217589 /nfs/dbraw/zinc/21/75/89/402217589.db2.gz GJXFQOVYUHLAQO-OAHLLOKOSA-N 1 0 321.440 2.441 20 10 DECDRO C[N@H+](CCn1cccn1)Cc1cc(Br)ccc1O ZINC000125235335 402221096 /nfs/dbraw/zinc/22/10/96/402221096.db2.gz KHZHBELQUHMPCN-UHFFFAOYSA-N 1 0 310.195 2.483 20 10 DECDRO CS(=O)(=O)C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000154933971 402238915 /nfs/dbraw/zinc/23/89/15/402238915.db2.gz HSWIBRGTVBXXMY-HNNXBMFYSA-N 1 0 305.399 2.268 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000186945430 402473211 /nfs/dbraw/zinc/47/32/11/402473211.db2.gz GLKFSMUBUMXODJ-ZDUSSCGKSA-N 1 0 310.463 2.056 20 10 DECDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000186995615 402476595 /nfs/dbraw/zinc/47/65/95/402476595.db2.gz LVULYYVPINXRTB-UHFFFAOYSA-N 1 0 306.406 2.292 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000166474969 402485101 /nfs/dbraw/zinc/48/51/01/402485101.db2.gz ULRZFRYYHMIMGH-HOTGVXAUSA-N 1 0 301.434 2.203 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000187532738 402503984 /nfs/dbraw/zinc/50/39/84/402503984.db2.gz MKLRMHZQCOBCEN-QGZVFWFLSA-N 1 0 307.390 2.172 20 10 DECDRO O=C(CC1CC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000178710832 402529326 /nfs/dbraw/zinc/52/93/26/402529326.db2.gz PBFDMWKEFPSNIW-UHFFFAOYSA-N 1 0 301.434 2.293 20 10 DECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000192500248 402733107 /nfs/dbraw/zinc/73/31/07/402733107.db2.gz NKIYRSPTEBAUHX-SUMWQHHRSA-N 1 0 322.424 2.301 20 10 DECDRO C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCCCCC1 ZINC000183421669 402765708 /nfs/dbraw/zinc/76/57/08/402765708.db2.gz OMUYNRDVXOCOCM-UONOGXRCSA-N 1 0 320.433 2.410 20 10 DECDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccccc1O ZINC000183448118 402768836 /nfs/dbraw/zinc/76/88/36/402768836.db2.gz OGBKDVIVOINDKK-WMLDXEAASA-N 1 0 322.474 2.251 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263706883 402793781 /nfs/dbraw/zinc/79/37/81/402793781.db2.gz JJXRXVWRLGHMRT-KGLIPLIRSA-N 1 0 305.422 2.312 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)c1O ZINC000278690081 402869489 /nfs/dbraw/zinc/86/94/89/402869489.db2.gz PUPWYOOQGFVDEH-UHFFFAOYSA-N 1 0 301.346 2.044 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000279742859 402961583 /nfs/dbraw/zinc/96/15/83/402961583.db2.gz XNBQGKHJDVTYPB-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280858240 403044104 /nfs/dbraw/zinc/04/41/04/403044104.db2.gz LVTUYLJMBMRQAS-NSHDSACASA-N 1 0 315.339 2.092 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096026 403048311 /nfs/dbraw/zinc/04/83/11/403048311.db2.gz CTSQMPAVAKGBAF-DYVFJYSZSA-N 1 0 316.449 2.035 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@@]3(CCSC3)C1)OCO2 ZINC000269106015 403123440 /nfs/dbraw/zinc/12/34/40/403123440.db2.gz AVIPVCVRCGTNNE-LRDDRELGSA-N 1 0 323.414 2.265 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282659630 403158141 /nfs/dbraw/zinc/15/81/41/403158141.db2.gz IOMUAPUNQSTFDH-WMLDXEAASA-N 1 0 305.418 2.358 20 10 DECDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000271055416 403258992 /nfs/dbraw/zinc/25/89/92/403258992.db2.gz SSPVXJLVJYHCLI-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)ccc1N(C)C ZINC000292705580 403375439 /nfs/dbraw/zinc/37/54/39/403375439.db2.gz DPHKAHHTLIMGTI-SFHVURJKSA-N 1 0 317.477 2.358 20 10 DECDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293408620 403464643 /nfs/dbraw/zinc/46/46/43/403464643.db2.gz HZFBMTPWAUFWRM-QGZVFWFLSA-N 1 0 303.450 2.409 20 10 DECDRO Cc1cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)ccc1N(C)C ZINC000293478524 403483071 /nfs/dbraw/zinc/48/30/71/403483071.db2.gz FOARYTPZRIALLK-WMZOPIPTSA-N 1 0 317.477 2.356 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](CO)c1ccccc1 ZINC000295094886 403758203 /nfs/dbraw/zinc/75/82/03/403758203.db2.gz SABALOMHRNUABS-AWEZNQCLSA-N 1 0 301.342 2.286 20 10 DECDRO Cc1cc(C(=O)N[C@@H](C)CCC[NH3+])c(C)n1-c1ccccn1 ZINC000295271078 403824104 /nfs/dbraw/zinc/82/41/04/403824104.db2.gz RZBAPJVLSILGQA-LBPRGKRZSA-N 1 0 300.406 2.346 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1OC ZINC000291019156 404371712 /nfs/dbraw/zinc/37/17/12/404371712.db2.gz DGTKTKWEGPXDRG-CYBMUJFWSA-N 1 0 303.362 2.053 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291365033 404381995 /nfs/dbraw/zinc/38/19/95/404381995.db2.gz YSRFLZWZGLBFKT-GFCCVEGCSA-N 1 0 301.333 2.240 20 10 DECDRO O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)NCCc1ccccc1 ZINC000296967031 404392944 /nfs/dbraw/zinc/39/29/44/404392944.db2.gz RJJCGZKJQWHKAL-MRXNPFEDSA-N 1 0 310.397 2.328 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)nn3C)CC2)cc1 ZINC000367440141 405048556 /nfs/dbraw/zinc/04/85/56/405048556.db2.gz ZTONTMZOHBJBGI-UHFFFAOYSA-N 1 0 314.433 2.496 20 10 DECDRO CCOCc1cc(C[NH2+]Cc2cnnn2CC)ccc1OC ZINC000527728857 406730940 /nfs/dbraw/zinc/73/09/40/406730940.db2.gz UBRXMYYIVFFCHE-UHFFFAOYSA-N 1 0 304.394 2.133 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000575048589 406788555 /nfs/dbraw/zinc/78/85/55/406788555.db2.gz YZAZIJJCSCVRBB-INIZCTEOSA-N 1 0 317.433 2.352 20 10 DECDRO O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000193014346 225148886 /nfs/dbraw/zinc/14/88/86/225148886.db2.gz QYBCGLJRHDEURQ-CYBMUJFWSA-N 1 0 304.390 2.188 20 10 DECDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2O)C[C@@H](C)O1 ZINC000245589067 225220907 /nfs/dbraw/zinc/22/09/07/225220907.db2.gz FUXUZJBDJDRDCR-BFYDXBDKSA-N 1 0 304.434 2.466 20 10 DECDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000262039064 225264459 /nfs/dbraw/zinc/26/44/59/225264459.db2.gz RFWFJRPDNDBCDV-UHFFFAOYSA-N 1 0 301.365 2.182 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000378438211 227214711 /nfs/dbraw/zinc/21/47/11/227214711.db2.gz JCSJTVYHQTZJPY-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418105565 229223453 /nfs/dbraw/zinc/22/34/53/229223453.db2.gz ZWNHBELQFAEEHN-STQMWFEESA-N 1 0 314.433 2.379 20 10 DECDRO CC[NH2+]CC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001168419467 782027627 /nfs/dbraw/zinc/02/76/27/782027627.db2.gz QZXFRNKMNOIJLW-UHFFFAOYSA-N 1 0 317.393 2.359 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423083696 230344239 /nfs/dbraw/zinc/34/42/39/230344239.db2.gz GISHGMGDTBUDET-RTBURBONSA-N 1 0 313.445 2.343 20 10 DECDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](C)O ZINC000834886232 649857725 /nfs/dbraw/zinc/85/77/25/649857725.db2.gz AVFCPDWYGKLHHI-IOASZLSFSA-N 1 0 310.413 2.472 20 10 DECDRO CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000662530469 425675829 /nfs/dbraw/zinc/67/58/29/425675829.db2.gz ATKKSQNZOSHIIM-SECBINFHSA-N 1 0 306.316 2.041 20 10 DECDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289593545 275715765 /nfs/dbraw/zinc/71/57/65/275715765.db2.gz BDIQGNVRSROUHE-IAGOWNOFSA-N 1 0 303.450 2.345 20 10 DECDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[N@H+](C)C1CC1 ZINC000075960894 278202524 /nfs/dbraw/zinc/20/25/24/278202524.db2.gz YBQSUKPTVIYDII-CYBMUJFWSA-N 1 0 304.438 2.035 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000518538772 332076256 /nfs/dbraw/zinc/07/62/56/332076256.db2.gz PZAVNUZQSMLDCD-INIZCTEOSA-N 1 0 315.417 2.105 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000518538773 332076387 /nfs/dbraw/zinc/07/63/87/332076387.db2.gz PZAVNUZQSMLDCD-MRXNPFEDSA-N 1 0 315.417 2.105 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449791 333208923 /nfs/dbraw/zinc/20/89/23/333208923.db2.gz RGALLLJJNNDLHB-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000835025554 649868192 /nfs/dbraw/zinc/86/81/92/649868192.db2.gz KSGFMNBJKMEXNU-ONEGZZNKSA-N 1 0 301.434 2.353 20 10 DECDRO COc1ccc(N2CCCN(C(=O)C3([NH3+])CCCC3)CC2)cc1 ZINC000237263242 533999052 /nfs/dbraw/zinc/99/90/52/533999052.db2.gz YLBNJCSKFRHKMQ-UHFFFAOYSA-N 1 0 317.433 2.005 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1 ZINC000375840894 534198372 /nfs/dbraw/zinc/19/83/72/534198372.db2.gz MMITYEOANUOZIU-GFCCVEGCSA-N 1 0 303.362 2.472 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(=O)NC2CCCC2)cc1 ZINC000835035378 649869936 /nfs/dbraw/zinc/86/99/36/649869936.db2.gz CEZDZVFXXIYOIE-WAYWQWQTSA-N 1 0 301.434 2.414 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160538889 520284812 /nfs/dbraw/zinc/28/48/12/520284812.db2.gz JDOIGFVNCQHATJ-LLVKDONJSA-N 1 0 317.355 2.472 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000153124160 520287737 /nfs/dbraw/zinc/28/77/37/520287737.db2.gz KEAYSBKDFJEYDG-AWEZNQCLSA-N 1 0 319.449 2.075 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1F ZINC000236913239 520903737 /nfs/dbraw/zinc/90/37/37/520903737.db2.gz WMZJZQSOBXPWNR-UONOGXRCSA-N 1 0 307.413 2.416 20 10 DECDRO C[NH+](C)Cc1cc(CNC(=O)Cc2ccc(N)cc2)ccc1F ZINC000237048078 521889193 /nfs/dbraw/zinc/88/91/93/521889193.db2.gz BMUXOBMUCSSPTL-UHFFFAOYSA-N 1 0 315.392 2.328 20 10 DECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CC[C@@H]21 ZINC000181215113 523832078 /nfs/dbraw/zinc/83/20/78/523832078.db2.gz 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/nfs/dbraw/zinc/87/11/86/649871186.db2.gz RIZLDHJHCSGSLN-AATRIKPKSA-N 1 0 317.477 2.154 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000835047413 649871403 /nfs/dbraw/zinc/87/14/03/649871403.db2.gz GWMFFRIAJODLKJ-JXCVUKRWSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000835046408 649871534 /nfs/dbraw/zinc/87/15/34/649871534.db2.gz WIRBQHYTVSNMCG-SNAWJCMRSA-N 1 0 304.434 2.239 20 10 DECDRO CNC(=O)[C@@]1(C)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835053135 649872352 /nfs/dbraw/zinc/87/23/52/649872352.db2.gz STEXDGUQPKGGKF-QWNKOJSDSA-N 1 0 301.434 2.224 20 10 DECDRO CNC(=O)[C@]1(C)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835053132 649872363 /nfs/dbraw/zinc/87/23/63/649872363.db2.gz STEXDGUQPKGGKF-OOFWQKGWSA-N 1 0 301.434 2.224 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000102010865 649905195 /nfs/dbraw/zinc/90/51/95/649905195.db2.gz CDWZPROYAWMFTM-UHFFFAOYSA-N 1 0 318.465 2.208 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC001330536831 1149182046 /nfs/dbraw/zinc/18/20/46/1149182046.db2.gz PDWULMHNNKLJPL-OALUTQOASA-N 1 0 315.461 2.192 20 10 DECDRO c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000823767856 606416143 /nfs/dbraw/zinc/41/61/43/606416143.db2.gz ZFUIIPWTMGEWLR-UHFFFAOYSA-N 1 0 313.386 2.153 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000186466783 625399153 /nfs/dbraw/zinc/39/91/53/625399153.db2.gz FQDLFKOOXGTIRL-NEPJUHHUSA-N 1 0 308.378 2.282 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001026633534 625601047 /nfs/dbraw/zinc/60/10/47/625601047.db2.gz CJUOEFIARTWGKM-ZDUSSCGKSA-N 1 0 312.360 2.207 20 10 DECDRO CS/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250650 623795325 /nfs/dbraw/zinc/79/53/25/623795325.db2.gz BHWRXJMGLXKINS-AUECHBEKSA-N 1 0 307.463 2.348 20 10 DECDRO Cc1[nH]ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250646 623795399 /nfs/dbraw/zinc/79/53/99/623795399.db2.gz BHBXTYZJFVXXCD-KRWDZBQOSA-N 1 0 314.433 2.422 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2)[NH+](C)C)cc1 ZINC000891255198 623802044 /nfs/dbraw/zinc/80/20/44/623802044.db2.gz NQJZAOUGEJCNMT-MRXNPFEDSA-N 1 0 301.390 2.378 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1O ZINC000892189546 624832846 /nfs/dbraw/zinc/83/28/46/624832846.db2.gz YISBUAFCLFZPMH-ZOBORPQBSA-N 1 0 303.406 2.141 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000236673041 625199455 /nfs/dbraw/zinc/19/94/55/625199455.db2.gz IHXHBUBCNFPHLV-UHFFFAOYSA-N 1 0 301.434 2.291 20 10 DECDRO CCC[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000999907651 634702067 /nfs/dbraw/zinc/70/20/67/634702067.db2.gz QWWNRUSRCATJRG-UHFFFAOYSA-N 1 0 317.393 2.452 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000893536835 634216416 /nfs/dbraw/zinc/21/64/16/634216416.db2.gz MBPQHRAGERNYTK-PWSUYJOCSA-N 1 0 323.824 2.470 20 10 DECDRO CNC(=O)NC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000840974236 635977686 /nfs/dbraw/zinc/97/76/86/635977686.db2.gz BYVITINVKHASAJ-SNAWJCMRSA-N 1 0 316.449 2.159 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000840974291 635979090 /nfs/dbraw/zinc/97/90/90/635979090.db2.gz FDFNPGBCJHCIPA-AWEZNQCLSA-N 1 0 318.417 2.378 20 10 DECDRO Cc1n[nH]c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000893910251 636063482 /nfs/dbraw/zinc/06/34/82/636063482.db2.gz IRIHRMGDHXOAKG-UHFFFAOYSA-N 1 0 314.433 2.495 20 10 DECDRO CO[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCSC1 ZINC000922573837 636245342 /nfs/dbraw/zinc/24/53/42/636245342.db2.gz ZRKUYTYJMKSTBU-QGZVFWFLSA-N 1 0 322.474 2.135 20 10 DECDRO CCC[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004242360 636257269 /nfs/dbraw/zinc/25/72/69/636257269.db2.gz LEZXAIFIQSYCMP-UHFFFAOYSA-N 1 0 317.393 2.453 20 10 DECDRO COc1cc(C[NH2+]Cc2ccc(Br)cc2O)on1 ZINC000877635058 636415831 /nfs/dbraw/zinc/41/58/31/636415831.db2.gz APRCOQNSKQPXOR-UHFFFAOYSA-N 1 0 313.151 2.441 20 10 DECDRO COc1cc(C[NH+]2CCC(Cn3cncn3)CC2)c(O)cc1C ZINC000186891959 636587582 /nfs/dbraw/zinc/58/75/82/636587582.db2.gz YQXPRMBNRBNOKV-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922950472 636879874 /nfs/dbraw/zinc/87/98/74/636879874.db2.gz LUFNTXXUJUKULG-HNNXBMFYSA-N 1 0 310.825 2.389 20 10 DECDRO Oc1cc(F)c(CC[NH2+]Cc2cc3c(cc2O)OCO3)c(F)c1 ZINC000922976867 636895324 /nfs/dbraw/zinc/89/53/24/636895324.db2.gz PZEUNRDGAKFBAQ-UHFFFAOYSA-N 1 0 323.295 2.437 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(Cl)c1 ZINC000922991869 636901146 /nfs/dbraw/zinc/90/11/46/636901146.db2.gz SGQYPHYISRZWLG-SNVBAGLBSA-N 1 0 306.797 2.130 20 10 DECDRO COC(=O)c1c(C[NH2+][C@@H](C)C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894437138 637038921 /nfs/dbraw/zinc/03/89/21/637038921.db2.gz NIEKAGBNDULJLL-WDEREUQCSA-N 1 0 322.380 2.353 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H](C)C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894437134 637039045 /nfs/dbraw/zinc/03/90/45/637039045.db2.gz NIEKAGBNDULJLL-MNOVXSKESA-N 1 0 322.380 2.353 20 10 DECDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1(F)F ZINC000894782145 637210286 /nfs/dbraw/zinc/21/02/86/637210286.db2.gz JPBDJEMSDBHUQY-QWRKXWFKSA-N 1 0 315.316 2.106 20 10 DECDRO CCCN1C[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2O)CC1=O ZINC000895031317 637395573 /nfs/dbraw/zinc/39/55/73/637395573.db2.gz OMFQFRLWFZRVDJ-CYBMUJFWSA-N 1 0 306.406 2.057 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000838477133 637581322 /nfs/dbraw/zinc/58/13/22/637581322.db2.gz DZJBJAWISBQNSI-GASCZTMLSA-N 1 0 318.465 2.295 20 10 DECDRO C[NH+](C)CC(C)(C)NC(=O)NCCCSc1nccs1 ZINC000838515120 637593859 /nfs/dbraw/zinc/59/38/59/637593859.db2.gz VPTPQUINDVYYTP-UHFFFAOYSA-N 1 0 316.496 2.265 20 10 DECDRO Fc1cc(C[NH2+][C@H]2CCSC2)cc(F)c1N1CCOCC1 ZINC000839146493 637789102 /nfs/dbraw/zinc/78/91/02/637789102.db2.gz JVFJSHYEMFLHSS-LBPRGKRZSA-N 1 0 314.401 2.397 20 10 DECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000839147208 637789291 /nfs/dbraw/zinc/78/92/91/637789291.db2.gz GJOKZZBGCQCLHL-GASCZTMLSA-N 1 0 308.397 2.319 20 10 DECDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccn(C)n1 ZINC000839191995 637815716 /nfs/dbraw/zinc/81/57/16/637815716.db2.gz RQXOQXFJHFNFHU-OAHLLOKOSA-N 1 0 313.449 2.023 20 10 DECDRO OC[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000839159683 637816981 /nfs/dbraw/zinc/81/69/81/637816981.db2.gz ONYCJXFDCLHLBG-LJQANCHMSA-N 1 0 313.397 2.378 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCNC(=O)c2ccco2)c(Cl)c1 ZINC000840873995 650369580 /nfs/dbraw/zinc/36/95/80/650369580.db2.gz WAVVARJICYQICW-UHFFFAOYSA-N 1 0 308.765 2.467 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)NC(C)C)CC2)cc1 ZINC000840891370 650372173 /nfs/dbraw/zinc/37/21/73/650372173.db2.gz RNJYMFQZOPNZRS-AWEZNQCLSA-N 1 0 319.449 2.167 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1OC ZINC000895308764 637911320 /nfs/dbraw/zinc/91/13/20/637911320.db2.gz BPQLBEZMCKIVAE-VIBAHUMZSA-N 1 0 320.433 2.056 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840938561 650390560 /nfs/dbraw/zinc/39/05/60/650390560.db2.gz ORIYVGSTXCIBFK-HNNXBMFYSA-N 1 0 305.422 2.381 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)OCO2 ZINC000840956172 650395274 /nfs/dbraw/zinc/39/52/74/650395274.db2.gz KGOGOPZMVVOEDI-GJZGRUSLSA-N 1 0 313.353 2.429 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840975977 650398876 /nfs/dbraw/zinc/39/88/76/650398876.db2.gz BZINCAOWEGOBEO-HNNXBMFYSA-N 1 0 322.474 2.399 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895843889 638221674 /nfs/dbraw/zinc/22/16/74/638221674.db2.gz JKFHWXSKDIMLEN-ZDUSSCGKSA-N 1 0 305.296 2.148 20 10 DECDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895875351 638240154 /nfs/dbraw/zinc/24/01/54/638240154.db2.gz MLAOARJNDPJAMB-JTQLQIEISA-N 1 0 318.398 2.279 20 10 DECDRO COc1ccc(N2CCN(C[C@@H]([NH3+])CC(C)C)CC2)cc1F ZINC000841021222 650407456 /nfs/dbraw/zinc/40/74/56/650407456.db2.gz FFHTVYYUXJUOTN-AWEZNQCLSA-N 1 0 309.429 2.330 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nc3ccccc3n2C)cc1 ZINC000841044660 650412476 /nfs/dbraw/zinc/41/24/76/650412476.db2.gz XGHHRORMRSIPGO-MRXNPFEDSA-N 1 0 323.444 2.429 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3c(s2)CCC3)cc1 ZINC000841044984 650413586 /nfs/dbraw/zinc/41/35/86/650413586.db2.gz HFZLPXSQOYKZBL-AWEZNQCLSA-N 1 0 316.474 2.487 20 10 DECDRO CC[C@H]([NH3+])CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841072949 650422137 /nfs/dbraw/zinc/42/21/37/650422137.db2.gz SUYHMWAMPGVJRD-AWEZNQCLSA-N 1 0 306.410 2.412 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN[C@@H]3C)CC2)cc1 ZINC000841063139 650418676 /nfs/dbraw/zinc/41/86/76/650418676.db2.gz ILTPUYXBORIGQY-RDTXWAMCSA-N 1 0 303.450 2.394 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c(O)c1 ZINC000896471447 638532181 /nfs/dbraw/zinc/53/21/81/638532181.db2.gz LQYWNFVCIFFKAE-QGZVFWFLSA-N 1 0 304.390 2.411 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105311 650432065 /nfs/dbraw/zinc/43/20/65/650432065.db2.gz JVSTUKDGAUHIOI-CQSZACIVSA-N 1 0 311.223 2.483 20 10 DECDRO COc1ccc(C[NH2+]C[C@]2(OC)CCSC2)c(O)c1OC ZINC000896566349 638586168 /nfs/dbraw/zinc/58/61/68/638586168.db2.gz BJMSRVDXEBTXDD-OAHLLOKOSA-N 1 0 313.419 2.021 20 10 DECDRO COc1ccc(C[NH2+]C[C@@]2(OC)CCSC2)c(O)c1OC ZINC000896566348 638586565 /nfs/dbraw/zinc/58/65/65/638586565.db2.gz BJMSRVDXEBTXDD-HNNXBMFYSA-N 1 0 313.419 2.021 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CCn4cccc4C3)cc2)CC1 ZINC000896761102 638668969 /nfs/dbraw/zinc/66/89/69/638668969.db2.gz KRSRIJCGQMIKQO-UHFFFAOYSA-N 1 0 310.445 2.256 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1F ZINC000897012866 639125153 /nfs/dbraw/zinc/12/51/53/639125153.db2.gz FEKINVSUULMRDS-UHFFFAOYSA-N 1 0 321.396 2.356 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000897019969 639128931 /nfs/dbraw/zinc/12/89/31/639128931.db2.gz RPBVVDYWUVWVSX-AWEZNQCLSA-N 1 0 320.389 2.030 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000840717085 639278562 /nfs/dbraw/zinc/27/85/62/639278562.db2.gz QSMUPHYXCOPPSK-FCEWJHQRSA-N 1 0 317.477 2.451 20 10 DECDRO COc1ccc(N2CCN(C(=O)CCCCCC[NH3+])CC2)cc1 ZINC000237280216 639334303 /nfs/dbraw/zinc/33/43/03/639334303.db2.gz DZYVOROHKOILJO-UHFFFAOYSA-N 1 0 319.449 2.253 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC2(CC)CC)c1 ZINC000897344715 639523348 /nfs/dbraw/zinc/52/33/48/639523348.db2.gz GPSFNPRAJMQFBT-OAHLLOKOSA-N 1 0 306.406 2.185 20 10 DECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756355058 639652729 /nfs/dbraw/zinc/65/27/29/639652729.db2.gz GUIMGQIZORFVBB-IUCAKERBSA-N 1 0 315.211 2.330 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC3)[C@H]2C)cc1C ZINC000985850658 639664336 /nfs/dbraw/zinc/66/43/36/639664336.db2.gz UZMLQZAVQWUNOY-BBRMVZONSA-N 1 0 302.418 2.493 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1 ZINC000756481576 639665278 /nfs/dbraw/zinc/66/52/78/639665278.db2.gz CNVICUBOHPYUCT-LBPRGKRZSA-N 1 0 314.451 2.069 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756703267 639687054 /nfs/dbraw/zinc/68/70/54/639687054.db2.gz AWTWBXWBFMJHBU-JFGNBEQYSA-N 1 0 315.410 2.492 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(F)ccc1O ZINC000756758103 639692078 /nfs/dbraw/zinc/69/20/78/639692078.db2.gz HCCALARYYRAMOE-JTQLQIEISA-N 1 0 301.383 2.007 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)[C@@H]2C)cc1C ZINC000985946916 639705469 /nfs/dbraw/zinc/70/54/69/639705469.db2.gz YPOVQTOCESFQPD-HIFRSBDPSA-N 1 0 322.474 2.446 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841718796 650550563 /nfs/dbraw/zinc/55/05/63/650550563.db2.gz XDAMPFPKCIIUKX-GOEBONIOSA-N 1 0 318.465 2.473 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000841718950 650551422 /nfs/dbraw/zinc/55/14/22/650551422.db2.gz YQYWHFVKHWDUPM-YOEHRIQHSA-N 1 0 318.465 2.330 20 10 DECDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710489 650547106 /nfs/dbraw/zinc/54/71/06/650547106.db2.gz XFFUMHSXSSMTJI-GDBMZVCRSA-N 1 0 316.449 2.166 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000841761234 650558521 /nfs/dbraw/zinc/55/85/21/650558521.db2.gz OEDVUGXKBKOGAY-UKRRQHHQSA-N 1 0 322.428 2.208 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753848 650557818 /nfs/dbraw/zinc/55/78/18/650557818.db2.gz XEAANSMRDGDJDB-YPMHNXCESA-N 1 0 317.813 2.110 20 10 DECDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793404 650565326 /nfs/dbraw/zinc/56/53/26/650565326.db2.gz KCQQJHLHLWALDT-GJZGRUSLSA-N 1 0 318.465 2.458 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCc3ccn(C)n3)CC2)cc1 ZINC000760895839 640240678 /nfs/dbraw/zinc/24/06/78/640240678.db2.gz DJYXAMNIEUOWRN-UHFFFAOYSA-N 1 0 314.433 2.230 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841827871 650573842 /nfs/dbraw/zinc/57/38/42/650573842.db2.gz PSGFQXZFXLQLRQ-WMLDXEAASA-N 1 0 318.465 2.378 20 10 DECDRO CN1CC[C@@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000762555398 640438308 /nfs/dbraw/zinc/43/83/08/640438308.db2.gz IOXSIRPFRDKXCO-LJQANCHMSA-N 1 0 312.413 2.215 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000841852219 650580207 /nfs/dbraw/zinc/58/02/07/650580207.db2.gz ILLFYTTYBFUNDS-HZPDHXFCSA-N 1 0 301.434 2.050 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841858316 650582407 /nfs/dbraw/zinc/58/24/07/650582407.db2.gz WYOCCRNDYKIMQV-LLVKDONJSA-N 1 0 316.496 2.298 20 10 DECDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000841886044 650593428 /nfs/dbraw/zinc/59/34/28/650593428.db2.gz JZTSBJLJRCTOQX-KRWDZBQOSA-N 1 0 316.449 2.127 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880954 650591078 /nfs/dbraw/zinc/59/10/78/650591078.db2.gz KWBTXZLLXSGNMM-GUYCJALGSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880523 650591166 /nfs/dbraw/zinc/59/11/66/650591166.db2.gz BUFXPILEUIRISU-KCQAQPDRSA-N 1 0 304.438 2.240 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881604 650591180 /nfs/dbraw/zinc/59/11/80/650591180.db2.gz SWDDNIDHFUQZDY-UKRRQHHQSA-N 1 0 304.438 2.255 20 10 DECDRO C[NH2+]CCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841916016 650601977 /nfs/dbraw/zinc/60/19/77/650601977.db2.gz WHNKRCBMXKZVJR-UHFFFAOYSA-N 1 0 317.389 2.307 20 10 DECDRO COCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000765268763 640759194 /nfs/dbraw/zinc/75/91/94/640759194.db2.gz CSHQHFFBBWRSPE-UHFFFAOYSA-N 1 0 316.195 2.432 20 10 DECDRO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765332339 640766949 /nfs/dbraw/zinc/76/69/49/640766949.db2.gz WJAUTHVMLBANQR-MPGHIAIKSA-N 1 0 303.450 2.124 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000841936342 650606496 /nfs/dbraw/zinc/60/64/96/650606496.db2.gz HALANYAIKUATFQ-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]1 ZINC000841984665 650619747 /nfs/dbraw/zinc/61/97/47/650619747.db2.gz CQXCOKBXDSHEBX-TZMCWYRMSA-N 1 0 317.433 2.211 20 10 DECDRO CCOc1cccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000768193255 641058692 /nfs/dbraw/zinc/05/86/92/641058692.db2.gz YYWGAFUNSLSTMG-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1C ZINC000768190875 641058706 /nfs/dbraw/zinc/05/87/06/641058706.db2.gz CWGWBZYRSWXQTL-QGZVFWFLSA-N 1 0 304.434 2.306 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000768347854 641070432 /nfs/dbraw/zinc/07/04/32/641070432.db2.gz VYNGWWZFKNKKEW-CQSZACIVSA-N 1 0 318.417 2.139 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCc3ccsc3C1)[C@@H](O)CO2 ZINC000768466253 641085907 /nfs/dbraw/zinc/08/59/07/641085907.db2.gz WWVRNFOYRVMRMK-AWEZNQCLSA-N 1 0 303.383 2.438 20 10 DECDRO CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989839271 641247704 /nfs/dbraw/zinc/24/77/04/641247704.db2.gz XGPVFCAVGYPTQK-MFKMUULPSA-N 1 0 303.366 2.062 20 10 DECDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000770509737 641378992 /nfs/dbraw/zinc/37/89/92/641378992.db2.gz RYMDTKQMRZEBCO-LBPRGKRZSA-N 1 0 320.414 2.233 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]CC[C@H]2CCOC2)N(C)C)cc1 ZINC000898449614 641661936 /nfs/dbraw/zinc/66/19/36/641661936.db2.gz IBJJNIHJRVLSDB-YJBOKZPZSA-N 1 0 305.466 2.372 20 10 DECDRO Cc1cnc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000898451557 641663410 /nfs/dbraw/zinc/66/34/10/641663410.db2.gz ZMXINTRDGJMALZ-MRXNPFEDSA-N 1 0 302.422 2.442 20 10 DECDRO CCn1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451451 641663512 /nfs/dbraw/zinc/66/35/12/641663512.db2.gz KZYXTMMPOQQLNB-SFHVURJKSA-N 1 0 315.465 2.362 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000773741759 641818550 /nfs/dbraw/zinc/81/85/50/641818550.db2.gz XNPZFHWDJYOGGY-JHJVBQTASA-N 1 0 306.406 2.018 20 10 DECDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480042 641908723 /nfs/dbraw/zinc/90/87/23/641908723.db2.gz YVQHQCMPRRKLPY-KDOFPFPSSA-N 1 0 311.429 2.500 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccc(N(C)C)cc1 ZINC000774487280 641910213 /nfs/dbraw/zinc/91/02/13/641910213.db2.gz YPDWSBVWWWVCGQ-OLZOCXBDSA-N 1 0 313.405 2.220 20 10 DECDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H]1C ZINC000899104906 641936340 /nfs/dbraw/zinc/93/63/40/641936340.db2.gz SRZOQQFUZAXSID-CPUCHLNUSA-N 1 0 318.465 2.405 20 10 DECDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000774830895 641970548 /nfs/dbraw/zinc/97/05/48/641970548.db2.gz GETJNPWQKSFPDG-WMZOPIPTSA-N 1 0 304.434 2.428 20 10 DECDRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775836673 642103636 /nfs/dbraw/zinc/10/36/36/642103636.db2.gz PDHAGSLOVDKNMZ-LLVKDONJSA-N 1 0 315.421 2.382 20 10 DECDRO CCC1([NH+]2CCC2)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000899559680 642106909 /nfs/dbraw/zinc/10/69/09/642106909.db2.gz YMCDBUNWOVPDOV-UHFFFAOYSA-N 1 0 322.380 2.327 20 10 DECDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000924760116 642121535 /nfs/dbraw/zinc/12/15/35/642121535.db2.gz OHPIZVCRJBFBLI-ZRGWGRIASA-N 1 0 318.461 2.408 20 10 DECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924761839 642141566 /nfs/dbraw/zinc/14/15/66/642141566.db2.gz WYOBIXZICHSUQP-KSSFIOAISA-N 1 0 304.434 2.020 20 10 DECDRO CS[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1[NH+]1CCCC1 ZINC000776215797 642145574 /nfs/dbraw/zinc/14/55/74/642145574.db2.gz KCIMTHMACLSGDQ-YPMHNXCESA-N 1 0 312.460 2.106 20 10 DECDRO CCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899725077 642150563 /nfs/dbraw/zinc/15/05/63/642150563.db2.gz SDJIKFLFRXIUHY-HNNXBMFYSA-N 1 0 308.495 2.229 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000776867892 642214424 /nfs/dbraw/zinc/21/44/24/642214424.db2.gz NXMCSKHMDVPYLQ-SGIREYDYSA-N 1 0 313.369 2.002 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000779194142 642471172 /nfs/dbraw/zinc/47/11/72/642471172.db2.gz WBUPJTIFCAMBHB-GFCCVEGCSA-N 1 0 307.781 2.355 20 10 DECDRO C[C@H](CCO)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339209 642489145 /nfs/dbraw/zinc/48/91/45/642489145.db2.gz AINJLLTXNJXJMM-IUODEOHRSA-N 1 0 312.841 2.371 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CO1 ZINC000842669674 650800505 /nfs/dbraw/zinc/80/05/05/650800505.db2.gz NPLAEZFMPCGZEH-RHSMWYFYSA-N 1 0 304.434 2.162 20 10 DECDRO COc1cccc(O)c1C[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000783995979 643081004 /nfs/dbraw/zinc/08/10/04/643081004.db2.gz AESMHOUBUVEZND-UHFFFAOYSA-N 1 0 316.405 2.191 20 10 DECDRO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c(O)cc1C ZINC000902610454 643083781 /nfs/dbraw/zinc/08/37/81/643083781.db2.gz TYQVKARIBYTADZ-CVEARBPZSA-N 1 0 321.417 2.479 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903303241 643311577 /nfs/dbraw/zinc/31/15/77/643311577.db2.gz NKPAMBXRMBUZRM-GRDNDAEWSA-N 1 0 321.440 2.406 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903324902 643315396 /nfs/dbraw/zinc/31/53/96/643315396.db2.gz SGVNNGLXSMTWKM-ZFWWWQNUSA-N 1 0 307.413 2.017 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000903345225 643320330 /nfs/dbraw/zinc/32/03/30/643320330.db2.gz ZAJJHMNNAIIJEW-KBPBESRZSA-N 1 0 308.422 2.162 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)cn1 ZINC000903449335 643355387 /nfs/dbraw/zinc/35/53/87/643355387.db2.gz XKUYSNMJPTUIRX-KBXCAEBGSA-N 1 0 315.465 2.440 20 10 DECDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000905033951 643764498 /nfs/dbraw/zinc/76/44/98/643764498.db2.gz GPWPWWSBXFUGAW-SFHVURJKSA-N 1 0 318.461 2.433 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)cc1 ZINC000905028495 643775107 /nfs/dbraw/zinc/77/51/07/643775107.db2.gz UGMPXSXEBAHLIU-KRWDZBQOSA-N 1 0 306.450 2.146 20 10 DECDRO C[NH+](C)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC000789980559 643798500 /nfs/dbraw/zinc/79/85/00/643798500.db2.gz 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CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831753122 649638616 /nfs/dbraw/zinc/63/86/16/649638616.db2.gz IMCVXQGZDUGPPD-RDTXWAMCSA-N 1 0 319.449 2.155 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000832267458 649690590 /nfs/dbraw/zinc/69/05/90/649690590.db2.gz SJNOTVJNMDGPFB-JKSUJKDBSA-N 1 0 301.434 2.449 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC3(CCC3)C2)cc1 ZINC000832285240 649692203 /nfs/dbraw/zinc/69/22/03/649692203.db2.gz PZAHBXVUMRRNGG-MRXNPFEDSA-N 1 0 301.434 2.449 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Cl)cn2C)cc1 ZINC000832292190 649693201 /nfs/dbraw/zinc/69/32/01/649693201.db2.gz CGVSPPDAVBSMLF-CQSZACIVSA-N 1 0 320.824 2.174 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(Cl)nc2)cc1 ZINC000832292548 649693241 /nfs/dbraw/zinc/69/32/41/649693241.db2.gz IUSVGXDVLJCWSA-AWEZNQCLSA-N 1 0 318.808 2.231 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccsc2)cc1 ZINC000832293085 649693393 /nfs/dbraw/zinc/69/33/93/649693393.db2.gz PBLQRYUWLIOIHQ-OAHLLOKOSA-N 1 0 303.431 2.173 20 10 DECDRO CCCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398909 651122718 /nfs/dbraw/zinc/12/27/18/651122718.db2.gz DQEVDPKJIHHAEA-OAHLLOKOSA-N 1 0 321.465 2.368 20 10 DECDRO COC(=O)CC1(C[N@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844401847 651123456 /nfs/dbraw/zinc/12/34/56/651123456.db2.gz NRINZTOKPLMBMB-UHFFFAOYSA-N 1 0 320.433 2.407 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000844892825 651180300 /nfs/dbraw/zinc/18/03/00/651180300.db2.gz JMRTZOYYLFABLV-KBPBESRZSA-N 1 0 323.824 2.472 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000846074398 651306642 /nfs/dbraw/zinc/30/66/42/651306642.db2.gz XADINKWJEPSCAR-QGZUEGPWSA-N 1 0 313.445 2.366 20 10 DECDRO CCOc1ccc(CN2CC[N@H+](CCOC)CC2(C)C)c(O)c1 ZINC000846101608 651307818 /nfs/dbraw/zinc/30/78/18/651307818.db2.gz DSTCFQWJSIIBBC-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]1C1CC1 ZINC000846121927 651309208 /nfs/dbraw/zinc/30/92/08/651309208.db2.gz DLBMJXZGSHDWHF-UONOGXRCSA-N 1 0 305.374 2.032 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846143660 651310800 /nfs/dbraw/zinc/31/08/00/651310800.db2.gz FNBZXLVQHFWSQK-VXGBXAGGSA-N 1 0 308.378 2.282 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000846169907 651312510 /nfs/dbraw/zinc/31/25/10/651312510.db2.gz GWEVMYKAWVTEPY-GHMZBOCLSA-N 1 0 313.419 2.017 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000846167636 651312596 /nfs/dbraw/zinc/31/25/96/651312596.db2.gz MGYNZKQHUDNAAZ-TZMCWYRMSA-N 1 0 306.406 2.310 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000846174702 651313124 /nfs/dbraw/zinc/31/31/24/651313124.db2.gz YOWHAZGIUXADDN-GXTWGEPZSA-N 1 0 302.374 2.223 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000848415828 651457284 /nfs/dbraw/zinc/45/72/84/651457284.db2.gz YVGAACBHMUYODS-UHFFFAOYSA-N 1 0 316.405 2.173 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848427666 651458422 /nfs/dbraw/zinc/45/84/22/651458422.db2.gz OLACROADICSODY-IEBWSBKVSA-N 1 0 315.461 2.491 20 10 DECDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(Cl)cc1[O-] ZINC000848562676 651471232 /nfs/dbraw/zinc/47/12/32/651471232.db2.gz KUVFIISZHCGLLA-ONGXEEELSA-N 1 0 306.797 2.382 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1 ZINC000848567180 651472252 /nfs/dbraw/zinc/47/22/52/651472252.db2.gz QICYASZDNKSRKY-HNNXBMFYSA-N 1 0 313.449 2.308 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848576257 651473421 /nfs/dbraw/zinc/47/34/21/651473421.db2.gz LFQLUIVTWHGVMA-IDOMTICXSA-N 1 0 315.417 2.339 20 10 DECDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000848889511 651546120 /nfs/dbraw/zinc/54/61/20/651546120.db2.gz KGQIHGOIVQJVEY-HOTGVXAUSA-N 1 0 302.418 2.445 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000848930207 651565302 /nfs/dbraw/zinc/56/53/02/651565302.db2.gz OFUYMGGEOJEILA-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108588343 651665546 /nfs/dbraw/zinc/66/55/46/651665546.db2.gz DXTFGUUDMZAWLU-OLZOCXBDSA-N 1 0 321.421 2.103 20 10 DECDRO COCCOCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850078538 651821777 /nfs/dbraw/zinc/82/17/77/651821777.db2.gz YIXBJHTWYKXODF-UHFFFAOYSA-N 1 0 311.422 2.451 20 10 DECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000850144319 651841463 /nfs/dbraw/zinc/84/14/63/651841463.db2.gz JCYUVFLBROKHMF-OUAUKWLOSA-N 1 0 300.449 2.413 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OC)nc3)C2)cc1 ZINC000850347090 651904775 /nfs/dbraw/zinc/90/47/75/651904775.db2.gz NGGFNYBZHFAFDE-HNNXBMFYSA-N 1 0 313.401 2.467 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347491 651905572 /nfs/dbraw/zinc/90/55/72/651905572.db2.gz SMWIVFVCDKZGQJ-BQGCOEIASA-N 1 0 318.417 2.061 20 10 DECDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850353447 651908810 /nfs/dbraw/zinc/90/88/10/651908810.db2.gz DAFSSIBPNFXHRY-UAGQMJEPSA-N 1 0 305.418 2.277 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850371046 651913587 /nfs/dbraw/zinc/91/35/87/651913587.db2.gz TXZZYXQTJARHKL-RCELQXLSSA-N 1 0 322.474 2.321 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c(Cl)c1 ZINC000850369459 651913800 /nfs/dbraw/zinc/91/38/00/651913800.db2.gz KOAWVURQXOYDKW-QWRGUYRKSA-N 1 0 317.838 2.409 20 10 DECDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000850396254 651919253 /nfs/dbraw/zinc/91/92/53/651919253.db2.gz IFZPAYBZGGABOQ-CQSZACIVSA-N 1 0 302.418 2.358 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000850397605 651920382 /nfs/dbraw/zinc/92/03/82/651920382.db2.gz YVWAZARBHAYUSX-LBPRGKRZSA-N 1 0 306.406 2.137 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CC1(O)CCC(F)(F)CC1)OCO2 ZINC000850404570 651921747 /nfs/dbraw/zinc/92/17/47/651921747.db2.gz OJIGISOHUGPTMB-UHFFFAOYSA-N 1 0 315.316 2.151 20 10 DECDRO CCn1cncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406333 651923053 /nfs/dbraw/zinc/92/30/53/651923053.db2.gz CBHJJFKTGPYNLN-UHFFFAOYSA-N 1 0 314.433 2.154 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@H]3C)C2)cc1 ZINC000850489155 651938791 /nfs/dbraw/zinc/93/87/91/651938791.db2.gz RHZOPUATOTYWAP-ZRGWGRIASA-N 1 0 315.461 2.346 20 10 DECDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(N2CCOCC2)cc1Cl ZINC000850509005 651941421 /nfs/dbraw/zinc/94/14/21/651941421.db2.gz OFMRGGRCLJHLSV-XQJDBVBESA-N 1 0 310.825 2.376 20 10 DECDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850514361 651942887 /nfs/dbraw/zinc/94/28/87/651942887.db2.gz FDCVGMPPBKFBNN-ZIAGYGMSSA-N 1 0 322.424 2.474 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000850557748 651953077 /nfs/dbraw/zinc/95/30/77/651953077.db2.gz PSENUPGWBDZMKA-CYBMUJFWSA-N 1 0 310.463 2.371 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000850566170 651953693 /nfs/dbraw/zinc/95/36/93/651953693.db2.gz KUUPTOJEICCMAV-ZBFHGGJFSA-N 1 0 304.434 2.162 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[C@@H]3CCC[NH2+]C3)ccc21 ZINC000857003215 652025364 /nfs/dbraw/zinc/02/53/64/652025364.db2.gz STVRXUYPBHPWEY-HNNXBMFYSA-N 1 0 315.461 2.465 20 10 DECDRO C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000851654495 652199518 /nfs/dbraw/zinc/19/95/18/652199518.db2.gz CMXWHEZZSQXSGL-CJNGLKHVSA-N 1 0 304.438 2.021 20 10 DECDRO [NH3+]C1(CNC(=O)NCCCSc2nccs2)CCCC1 ZINC000851657951 652200091 /nfs/dbraw/zinc/20/00/91/652200091.db2.gz ROQHQIVXKUVBHR-UHFFFAOYSA-N 1 0 314.480 2.196 20 10 DECDRO C[C@@H](NC(=O)NCC1([NH3+])CCCC1)c1ccc(N(C)C)cc1 ZINC000851659723 652201136 /nfs/dbraw/zinc/20/11/36/652201136.db2.gz VLMGHBWIMBQPIB-CYBMUJFWSA-N 1 0 304.438 2.384 20 10 DECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858100260 652254148 /nfs/dbraw/zinc/25/41/48/652254148.db2.gz ALQJGBCTJZXUTG-LLVKDONJSA-N 1 0 313.392 2.425 20 10 DECDRO COC(CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000851841603 652255977 /nfs/dbraw/zinc/25/59/77/652255977.db2.gz VOMLKLDEKXEXGO-OAHLLOKOSA-N 1 0 309.406 2.382 20 10 DECDRO CC(C)N1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC000858140717 652263902 /nfs/dbraw/zinc/26/39/02/652263902.db2.gz DHDRWWSEWBYFEG-GFCCVEGCSA-N 1 0 311.376 2.130 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CNCCO1 ZINC000852745939 652448017 /nfs/dbraw/zinc/44/80/17/652448017.db2.gz DOXIKSOKQQNLDQ-SFHVURJKSA-N 1 0 303.450 2.097 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000852802324 652459537 /nfs/dbraw/zinc/45/95/37/652459537.db2.gz MSVQRZBERWSNQC-LLVKDONJSA-N 1 0 312.369 2.495 20 10 DECDRO Nc1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 ZINC001356083488 1152056522 /nfs/dbraw/zinc/05/65/22/1152056522.db2.gz PMDVYSPDKLVLOS-UHFFFAOYSA-N 1 0 321.375 2.178 20 10 DECDRO C[NH+](C)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000091670135 684037675 /nfs/dbraw/zinc/03/76/75/684037675.db2.gz DUBJIHNVBOPHFU-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO C[S@@](=O)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000116918421 684066921 /nfs/dbraw/zinc/06/69/21/684066921.db2.gz ZRHVDTGYJUBHKZ-INIZCTEOSA-N 1 0 306.225 2.013 20 10 DECDRO CC(C)(O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000158578542 684300981 /nfs/dbraw/zinc/30/09/81/684300981.db2.gz CYEZLVQOSGBQPB-UHFFFAOYSA-N 1 0 314.429 2.434 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCN(c3cnccn3)CC1)CCCC2 ZINC000159764503 684320269 /nfs/dbraw/zinc/32/02/69/684320269.db2.gz QILISQICTJYQOM-UHFFFAOYSA-N 1 0 324.428 2.383 20 10 DECDRO CC(=O)N1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000192949874 684461616 /nfs/dbraw/zinc/46/16/16/684461616.db2.gz ZTMIMKQAPMVIRQ-UHFFFAOYSA-N 1 0 301.434 2.387 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862433596 686302087 /nfs/dbraw/zinc/30/20/87/686302087.db2.gz YPOCWLWURORLEM-KRWDZBQOSA-N 1 0 303.358 2.104 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000862550891 686321148 /nfs/dbraw/zinc/32/11/48/686321148.db2.gz OEMWOODMUZOCQF-KRWDZBQOSA-N 1 0 301.434 2.304 20 10 DECDRO COc1cc(Br)cc(CN[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487121 686508598 /nfs/dbraw/zinc/50/85/98/686508598.db2.gz JUYVQOGQLGGCQD-GZMMTYOYSA-N 1 0 315.211 2.003 20 10 DECDRO CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000865622024 687280724 /nfs/dbraw/zinc/28/07/24/687280724.db2.gz IZZAXQZOZMRYQU-AWEZNQCLSA-N 1 0 315.421 2.065 20 10 DECDRO O=C1NCCN1Cc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000865816268 687343677 /nfs/dbraw/zinc/34/36/77/687343677.db2.gz DMXWCUUUNVAQRW-UHFFFAOYSA-N 1 0 311.385 2.207 20 10 DECDRO C[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccccc1O ZINC000866439967 687574038 /nfs/dbraw/zinc/57/40/38/687574038.db2.gz BXRGNJFCMPMWQP-NSHDSACASA-N 1 0 302.378 2.255 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001016384194 687607560 /nfs/dbraw/zinc/60/75/60/687607560.db2.gz NHDMRGVREFKZGO-AWEZNQCLSA-N 1 0 315.377 2.063 20 10 DECDRO C[C@](O)(C[C@@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000872201970 688950817 /nfs/dbraw/zinc/95/08/17/688950817.db2.gz OOGYBZQJJPXKRW-OCCSQVGLSA-N 1 0 316.492 2.127 20 10 DECDRO CN1CCCC[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1=O ZINC000872673906 689062330 /nfs/dbraw/zinc/06/23/30/689062330.db2.gz SAEAGSIBDVTSBX-MRXNPFEDSA-N 1 0 302.418 2.324 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000873051654 689149032 /nfs/dbraw/zinc/14/90/32/689149032.db2.gz FZAQMRJQDWQGNT-HNNXBMFYSA-N 1 0 310.463 2.118 20 10 DECDRO COc1ccc(C[NH2+][C@]2(C)CCOC2)cc1Cn1cccn1 ZINC000873098357 689158598 /nfs/dbraw/zinc/15/85/98/689158598.db2.gz PCOFEILAPTZXGT-QGZVFWFLSA-N 1 0 301.390 2.209 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC000874230827 689371651 /nfs/dbraw/zinc/37/16/51/689371651.db2.gz GFIRHGJCUPGASH-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700407 689588877 /nfs/dbraw/zinc/58/88/77/689588877.db2.gz YAFLKJZVDLWHPM-ZDUSSCGKSA-N 1 0 303.366 2.015 20 10 DECDRO CCCC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876536226 689850292 /nfs/dbraw/zinc/85/02/92/689850292.db2.gz WTHUZJVTKWXYLF-HNNXBMFYSA-N 1 0 311.447 2.490 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCCO1 ZINC000876567002 689859792 /nfs/dbraw/zinc/85/97/92/689859792.db2.gz ZGTYSDSOQRUVTM-GOSISDBHSA-N 1 0 304.434 2.259 20 10 DECDRO C[C@@H](O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876679973 689900419 /nfs/dbraw/zinc/90/04/19/689900419.db2.gz MMXSZKYDEXQDMZ-OAHLLOKOSA-N 1 0 318.461 2.241 20 10 DECDRO CN1CCCc2cc(CNC(=O)/C=C/[C@H]3CCC[NH2+]C3)ccc21 ZINC000876740388 689923123 /nfs/dbraw/zinc/92/31/23/689923123.db2.gz MXQFKAIVQDSRSR-LOWQCSRCSA-N 1 0 313.445 2.241 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876778287 689935261 /nfs/dbraw/zinc/93/52/61/689935261.db2.gz AHMQRPRDQULZEN-AEFFLSMTSA-N 1 0 315.417 2.010 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000876804896 689942151 /nfs/dbraw/zinc/94/21/51/689942151.db2.gz VSTJDUKLXZQPBF-QFBILLFUSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(O)c1 ZINC000876810320 689943808 /nfs/dbraw/zinc/94/38/08/689943808.db2.gz RLUATJPWDFOAHM-NVXWUHKLSA-N 1 0 315.417 2.380 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876873333 689960214 /nfs/dbraw/zinc/96/02/14/689960214.db2.gz CUFZPCQCKMNGHM-ZBFHGGJFSA-N 1 0 307.413 2.049 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000876916983 689972296 /nfs/dbraw/zinc/97/22/96/689972296.db2.gz KXLQHHCNPUQXRJ-KRWDZBQOSA-N 1 0 316.401 2.064 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CCC(C)C)C2)cc1 ZINC000876959777 689983333 /nfs/dbraw/zinc/98/33/33/689983333.db2.gz OZBLLFJNRQCBGI-RHSMWYFYSA-N 1 0 319.449 2.154 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000876972538 689986785 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COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000877532001 690143069 /nfs/dbraw/zinc/14/30/69/690143069.db2.gz AZQSNUMATWZXDZ-SJKOYZFVSA-N 1 0 309.406 2.493 20 10 DECDRO Cc1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c(O)c1 ZINC000877562321 690153013 /nfs/dbraw/zinc/15/30/13/690153013.db2.gz RTBKWCZPBRGIGQ-OAHLLOKOSA-N 1 0 303.406 2.284 20 10 DECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(C)COC1 ZINC000877652519 690179715 /nfs/dbraw/zinc/17/97/15/690179715.db2.gz JQERKRCRAVALBK-UHFFFAOYSA-N 1 0 304.434 2.116 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC000877666167 690183566 /nfs/dbraw/zinc/18/35/66/690183566.db2.gz YVEZGNBKDDQDOU-NVXWUHKLSA-N 1 0 315.369 2.025 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877693643 690194240 /nfs/dbraw/zinc/19/42/40/690194240.db2.gz MPORZIMFHZDICG-NWDGAFQWSA-N 1 0 319.323 2.394 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000877786011 690228709 /nfs/dbraw/zinc/22/87/09/690228709.db2.gz 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690934268 /nfs/dbraw/zinc/93/42/68/690934268.db2.gz QDMHVPULZNYECX-KRWDZBQOSA-N 1 0 318.461 2.424 20 10 DECDRO CC[C@](C)([NH3+])c1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999302 691010843 /nfs/dbraw/zinc/01/08/43/691010843.db2.gz JZVXIPLZQLOWBX-HNNXBMFYSA-N 1 0 322.796 2.472 20 10 DECDRO C/C(=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881852238 691173850 /nfs/dbraw/zinc/17/38/50/691173850.db2.gz ZRVBQAXXPNFAPQ-FYWRMAATSA-N 1 0 313.445 2.411 20 10 DECDRO COc1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880007 691377792 /nfs/dbraw/zinc/37/77/92/691377792.db2.gz XQCLNJJZTIPEAV-UHFFFAOYSA-N 1 0 312.417 2.454 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@]12CCCO2 ZINC000883087947 691426744 /nfs/dbraw/zinc/42/67/44/691426744.db2.gz NKSHIEXIULXZMK-LZWOXQAQSA-N 1 0 313.344 2.487 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000883241341 691464065 /nfs/dbraw/zinc/46/40/65/691464065.db2.gz VRTFALLRVSABQH-UHFFFAOYSA-N 1 0 322.428 2.127 20 10 DECDRO CCN1CC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000883353978 691486917 /nfs/dbraw/zinc/48/69/17/691486917.db2.gz IHERSAJECVHFRI-KRWDZBQOSA-N 1 0 303.450 2.348 20 10 DECDRO CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000883374196 691492659 /nfs/dbraw/zinc/49/26/59/691492659.db2.gz SNZRPOHWOZLOCZ-FVQBIDKESA-N 1 0 310.463 2.369 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CC(C)(C)CO2)cc1 ZINC000884010881 691632646 /nfs/dbraw/zinc/63/26/46/691632646.db2.gz NSPPKUBGFAVIGM-JKSUJKDBSA-N 1 0 319.449 2.074 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC(F)(F)C(F)F)cc1 ZINC000884010647 691632688 /nfs/dbraw/zinc/63/26/88/691632688.db2.gz ILAKVRJBMTVSAJ-NSHDSACASA-N 1 0 321.318 2.159 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CC(C)(C)CO2)cc1 ZINC000884010880 691632744 /nfs/dbraw/zinc/63/27/44/691632744.db2.gz NSPPKUBGFAVIGM-HZPDHXFCSA-N 1 0 319.449 2.074 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3[nH]nc(C)c3C)C2)cc1 ZINC000886157583 692014823 /nfs/dbraw/zinc/01/48/23/692014823.db2.gz FRBMFMWLPVYINO-AWEZNQCLSA-N 1 0 300.406 2.404 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1 ZINC000886224295 692028979 /nfs/dbraw/zinc/02/89/79/692028979.db2.gz YMOQYOTYWFSTQZ-WBMXOGIWSA-N 1 0 304.434 2.285 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)c(O)c1 ZINC000886359399 692065365 /nfs/dbraw/zinc/06/53/65/692065365.db2.gz BNLHMNXOYUWAOI-HOCLYGCPSA-N 1 0 309.406 2.322 20 10 DECDRO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1c([O-])cccc1F ZINC000886522919 692100583 /nfs/dbraw/zinc/10/05/83/692100583.db2.gz TUJBVAJYTWAMIJ-CQSZACIVSA-N 1 0 323.456 2.456 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c([O-])cccc1F ZINC000886526208 692101826 /nfs/dbraw/zinc/10/18/26/692101826.db2.gz HMRIUWVNBTXBBL-KGLIPLIRSA-N 1 0 321.440 2.350 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@@H](C)CCO)c2cc(F)ccc2n1C ZINC000894308756 692980562 /nfs/dbraw/zinc/98/05/62/692980562.db2.gz FKDAZEIAYBQRSH-NSHDSACASA-N 1 0 322.380 2.212 20 10 DECDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000925507082 693285627 /nfs/dbraw/zinc/28/56/27/693285627.db2.gz YFCDOVRRERZPPX-DNVCBOLYSA-N 1 0 317.477 2.125 20 10 DECDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)cn1 ZINC001332299658 1149846163 /nfs/dbraw/zinc/84/61/63/1149846163.db2.gz OMSDNZHIOYUOHL-MRXNPFEDSA-N 1 0 312.417 2.114 20 10 DECDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)C[C@@H]2C1 ZINC001333813964 1150094709 /nfs/dbraw/zinc/09/47/09/1150094709.db2.gz ZYALIKCEFAWGPE-HDICACEKSA-N 1 0 314.429 2.181 20 10 DECDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333865254 1150107090 /nfs/dbraw/zinc/10/70/90/1150107090.db2.gz SNWBPXPLLVCHCV-SFHVURJKSA-N 1 0 304.434 2.260 20 10 DECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N)cc1 ZINC001335451675 1150420399 /nfs/dbraw/zinc/42/03/99/1150420399.db2.gz MHWZPAFURIUHOJ-INIZCTEOSA-N 1 0 304.438 2.333 20 10 DECDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC001335913552 1150560283 /nfs/dbraw/zinc/56/02/83/1150560283.db2.gz ZQZZOSBHPIDPOZ-RHSMWYFYSA-N 1 0 318.465 2.412 20 10 DECDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001346192141 1150950238 /nfs/dbraw/zinc/95/02/38/1150950238.db2.gz RZIOOVCMOYPCPD-INIZCTEOSA-N 1 0 316.449 2.084 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c(C)n1-c1ccccn1 ZINC001347290623 1151054305 /nfs/dbraw/zinc/05/43/05/1151054305.db2.gz HYYUTWSLJWKFNN-KRWDZBQOSA-N 1 0 324.428 2.313 20 10 DECDRO C[C@H](NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001353391678 1151828152 /nfs/dbraw/zinc/82/81/52/1151828152.db2.gz WHVTUAGLUZOAGJ-GUTXKFCHSA-N 1 0 304.438 2.240 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001353532268 1151836508 /nfs/dbraw/zinc/83/65/08/1151836508.db2.gz XZNRGVIOHRVWOM-MRXNPFEDSA-N 1 0 316.449 2.190 20 10 DECDRO C[N@@H+]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1 ZINC001472028459 1151855316 /nfs/dbraw/zinc/85/53/16/1151855316.db2.gz DCKXTTDQWVJIHP-CQSZACIVSA-N 1 0 320.414 2.383 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727367 782314907 /nfs/dbraw/zinc/31/49/07/782314907.db2.gz MIXWLWFKXPUIAZ-ZDUSSCGKSA-N 1 0 305.296 2.495 20 10 DECDRO CCO[C@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001127402830 782973486 /nfs/dbraw/zinc/97/34/86/782973486.db2.gz IHRAHGBFMIOQMS-KRWDZBQOSA-N 1 0 320.433 2.025 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccc4nncn4c3)cc2)CC1 ZINC001167434921 777035145 /nfs/dbraw/zinc/03/51/45/777035145.db2.gz ZLLYERFUVJWUSW-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@@H]2CCOC2)cc1C ZINC001125475697 777036138 /nfs/dbraw/zinc/03/61/38/777036138.db2.gz GCHOOMDZLBDETB-OAHLLOKOSA-N 1 0 320.433 2.026 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001144508895 790940255 /nfs/dbraw/zinc/94/02/55/790940255.db2.gz CGVFGKRNOGTHFN-KRWDZBQOSA-N 1 0 301.342 2.377 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001144508896 790940385 /nfs/dbraw/zinc/94/03/85/790940385.db2.gz CGVFGKRNOGTHFN-QGZVFWFLSA-N 1 0 301.342 2.377 20 10 DECDRO CCc1noc([C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144514757 790941980 /nfs/dbraw/zinc/94/19/80/790941980.db2.gz RCZHGWCTFWMVJS-JTQLQIEISA-N 1 0 319.361 2.128 20 10 DECDRO CN(CC[N@H+](C)Cc1c(O)cc(O)cc1O)Cc1ccccc1 ZINC001144516385 790943216 /nfs/dbraw/zinc/94/32/16/790943216.db2.gz XCHYAIOTWPVOQU-UHFFFAOYSA-N 1 0 316.401 2.367 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994653 784296618 /nfs/dbraw/zinc/29/66/18/784296618.db2.gz QYJPGOCCSODZMW-CQSZACIVSA-N 1 0 317.393 2.404 20 10 DECDRO COCCCCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155517368 784520178 /nfs/dbraw/zinc/52/01/78/784520178.db2.gz LFWBGWJRUJHREI-UHFFFAOYSA-N 1 0 322.449 2.416 20 10 DECDRO CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795108 785007905 /nfs/dbraw/zinc/00/79/05/785007905.db2.gz XKDVQTORPBKDPY-AWEZNQCLSA-N 1 0 321.421 2.093 20 10 DECDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691487122 786082202 /nfs/dbraw/zinc/08/22/02/786082202.db2.gz ISMSFRXMOFRTCR-SECBINFHSA-N 1 0 315.211 2.157 20 10 DECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691486361 786084971 /nfs/dbraw/zinc/08/49/71/786084971.db2.gz GESNATBDGPOGPM-VIFPVBQESA-N 1 0 315.211 2.111 20 10 DECDRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170564029 787637889 /nfs/dbraw/zinc/63/78/89/787637889.db2.gz OHHUDRDPLYGMHS-OCCSQVGLSA-N 1 0 305.374 2.188 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)[C@H]2CCCO2)cc1C ZINC001133523458 788463614 /nfs/dbraw/zinc/46/36/14/788463614.db2.gz BZCCMOMAZLERBW-RHSMWYFYSA-N 1 0 320.433 2.025 20 10 DECDRO CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133596497 788514585 /nfs/dbraw/zinc/51/45/85/788514585.db2.gz XJZWLUIPCSQPFU-LSDHHAIUSA-N 1 0 322.449 2.413 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(F)c3C2)cc1O ZINC001170947080 789692048 /nfs/dbraw/zinc/69/20/48/789692048.db2.gz SEWKLUORKKSPOH-ACJLOTCBSA-N 1 0 317.360 2.417 20 10 DECDRO CC[NH+]1CCC(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001146782174 791358208 /nfs/dbraw/zinc/35/82/08/791358208.db2.gz LKEBVMYRIUDOQZ-UHFFFAOYSA-N 1 0 318.417 2.105 20 10 DECDRO COc1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206196345 793647944 /nfs/dbraw/zinc/64/79/44/793647944.db2.gz BJWOKZRFHXCDRY-RYUDHWBXSA-N 1 0 302.777 2.315 20 10 DECDRO COC(=O)CCCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001173439121 793721683 /nfs/dbraw/zinc/72/16/83/793721683.db2.gz FCRCEQHIGSQRPB-NSHDSACASA-N 1 0 311.378 2.057 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(C(N)=O)CCOCC1 ZINC001116565328 794968007 /nfs/dbraw/zinc/96/80/07/794968007.db2.gz PMZBGPFEISNMEP-CHWSQXEVSA-N 1 0 318.417 2.121 20 10 DECDRO C[C@H](CCC(=O)[O-])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001116762128 794984282 /nfs/dbraw/zinc/98/42/82/794984282.db2.gz BWMGTNHWFWUXKX-OAHLLOKOSA-N 1 0 319.449 2.029 20 10 DECDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001118326893 795177862 /nfs/dbraw/zinc/17/78/62/795177862.db2.gz YYRJJLXWMQUOAS-HNNXBMFYSA-N 1 0 311.433 2.062 20 10 DECDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001118640929 795208799 /nfs/dbraw/zinc/20/87/99/795208799.db2.gz WNBJLLWZQXANCX-UONOGXRCSA-N 1 0 323.433 2.280 20 10 DECDRO OC[C@H](CC1CC1)[NH2+]Cc1c(O)cccc1Br ZINC001118800805 795228127 /nfs/dbraw/zinc/22/81/27/795228127.db2.gz CXSLORYYKFIFQS-JTQLQIEISA-N 1 0 300.196 2.405 20 10 DECDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001119936386 795375177 /nfs/dbraw/zinc/37/51/77/795375177.db2.gz HGWKQKWGXHTILC-CYBMUJFWSA-N 1 0 323.389 2.327 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C(F)(F)F ZINC001120371201 795448499 /nfs/dbraw/zinc/44/84/99/795448499.db2.gz BFLUHCGPMDKFSW-CHWSQXEVSA-N 1 0 316.323 2.442 20 10 DECDRO [NH3+]CCN(C(=O)CCc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001182157521 795615514 /nfs/dbraw/zinc/61/55/14/795615514.db2.gz SRYJXKGDLSFVNX-UHFFFAOYSA-N 1 0 318.348 2.161 20 10 DECDRO COc1cc(C[NH+]2CCC(c3ccn(C)n3)CC2)cc(O)c1O ZINC001204348647 795710545 /nfs/dbraw/zinc/71/05/45/795710545.db2.gz GPMWXTNXUDXELF-UHFFFAOYSA-N 1 0 317.389 2.220 20 10 DECDRO O=C(Cc1ccsc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560896 795824567 /nfs/dbraw/zinc/82/45/67/795824567.db2.gz JWFQRDGHVDDYGI-UHFFFAOYSA-N 1 0 316.426 2.341 20 10 DECDRO O=C(N1CCCc2cc(O)c(O)cc2C1)C12CCC[NH+]1CCC2 ZINC001183557230 795887440 /nfs/dbraw/zinc/88/74/40/795887440.db2.gz JNIWUVCDQXXEJU-UHFFFAOYSA-N 1 0 316.401 2.001 20 10 DECDRO COc1c(O)c(C[NH2+]Cc2cc(C)ccn2)ccc1[N+](=O)[O-] ZINC001183597373 795901377 /nfs/dbraw/zinc/90/13/77/795901377.db2.gz LQDODOVYDVENLK-UHFFFAOYSA-N 1 0 303.318 2.302 20 10 DECDRO COC(=O)c1cc(C2C[NH+](Cc3ccc(Cl)cc3O)C2)[nH]n1 ZINC001184240692 796021011 /nfs/dbraw/zinc/02/10/11/796021011.db2.gz YIKKBOBFGBZALH-UHFFFAOYSA-N 1 0 321.764 2.155 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854108 796146488 /nfs/dbraw/zinc/14/64/88/796146488.db2.gz INZPFXVXIMGYJY-QFBILLFUSA-N 1 0 314.429 2.269 20 10 DECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338748 796199773 /nfs/dbraw/zinc/19/97/73/796199773.db2.gz VFYFEWIRQFRJPV-CZUORRHYSA-N 1 0 316.445 2.436 20 10 DECDRO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc2c3c1CCCN3CCC2 ZINC001138342027 796200260 /nfs/dbraw/zinc/20/02/60/796200260.db2.gz XCQKSTHUOGCLGR-HZPDHXFCSA-N 1 0 314.429 2.454 20 10 DECDRO CCNC(=O)CN(C)Cc1ccc(N(CC)CC)cc1OC ZINC001138385837 796209162 /nfs/dbraw/zinc/20/91/62/796209162.db2.gz AMEBLNZNVRMWBQ-UHFFFAOYSA-N 1 0 307.438 2.109 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC001138495512 796227335 /nfs/dbraw/zinc/22/73/35/796227335.db2.gz KKMLQYCSPOXIBL-YJBOKZPZSA-N 1 0 304.434 2.116 20 10 DECDRO CCC[NH+]1CCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139129338 796328832 /nfs/dbraw/zinc/32/88/32/796328832.db2.gz WMRVNQIOSMQUAP-UHFFFAOYSA-N 1 0 316.401 2.335 20 10 DECDRO COc1cc(CN2Cc3cccnc3C2)cc(C[NH+](C)C)c1O ZINC001139253356 796349143 /nfs/dbraw/zinc/34/91/43/796349143.db2.gz RZVCRYJLQHOORO-UHFFFAOYSA-N 1 0 313.401 2.373 20 10 DECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4cnccc4C3)cc2)CC1 ZINC001139404505 796371381 /nfs/dbraw/zinc/37/13/81/796371381.db2.gz LHCFUYHZLSOPOI-UHFFFAOYSA-N 1 0 322.456 2.392 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001140056109 796471045 /nfs/dbraw/zinc/47/10/45/796471045.db2.gz IJWJRUOLBFYZKZ-ZDUSSCGKSA-N 1 0 307.300 2.114 20 10 DECDRO Oc1cccc(Br)c1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140098645 796477059 /nfs/dbraw/zinc/47/70/59/796477059.db2.gz JMZZZRGSDSHNSQ-AAEUAGOBSA-N 1 0 318.186 2.450 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c1 ZINC001140624187 796546493 /nfs/dbraw/zinc/54/64/93/796546493.db2.gz JUKALEXMNBKIGE-CQSZACIVSA-N 1 0 303.337 2.283 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001140624186 796546591 /nfs/dbraw/zinc/54/65/91/796546591.db2.gz JUKALEXMNBKIGE-AWEZNQCLSA-N 1 0 303.337 2.283 20 10 DECDRO CCn1nnc2c1[C@@H](COC)CN(Cc1cc(C)ccc1O)C2 ZINC001140619731 796546707 /nfs/dbraw/zinc/54/67/07/796546707.db2.gz MBPYTSWVYZGJAZ-CQSZACIVSA-N 1 0 316.405 2.058 20 10 DECDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC001140624464 796547787 /nfs/dbraw/zinc/54/77/87/796547787.db2.gz XTOZOZYDWFEIQP-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1CO ZINC001140660541 796552299 /nfs/dbraw/zinc/55/22/99/796552299.db2.gz VMRCTPFMJBHTSB-KSSFIOAISA-N 1 0 322.424 2.255 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1CN1CCCC12COC2 ZINC001140661402 796552694 /nfs/dbraw/zinc/55/26/94/796552694.db2.gz CTMWTFPAFUAHJL-UHFFFAOYSA-N 1 0 306.381 2.027 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001140664584 796553424 /nfs/dbraw/zinc/55/34/24/796553424.db2.gz MOJXDXGFXOEZBR-QAPCUYQASA-N 1 0 320.408 2.273 20 10 DECDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140745118 796566469 /nfs/dbraw/zinc/56/64/69/796566469.db2.gz WJARJGWCZICVRX-UHFFFAOYSA-N 1 0 313.401 2.359 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1O ZINC001140745030 796566539 /nfs/dbraw/zinc/56/65/39/796566539.db2.gz SVMRVAKRNKTIMB-UHFFFAOYSA-N 1 0 304.390 2.041 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC001140744967 796566725 /nfs/dbraw/zinc/56/67/25/796566725.db2.gz RDGRRWHSRHDNQA-UHFFFAOYSA-N 1 0 313.401 2.119 20 10 DECDRO CC[C@@H]1[N@H+](Cc2ccc(O)c(C)c2O)CCC[C@]12CCC(=O)N2 ZINC001140747902 796567735 /nfs/dbraw/zinc/56/77/35/796567735.db2.gz CMKFWQQFCICIIC-YJBOKZPZSA-N 1 0 318.417 2.429 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC001140850952 796583337 /nfs/dbraw/zinc/58/33/37/796583337.db2.gz WWSPEEDTWQKGRY-UHFFFAOYSA-N 1 0 321.465 2.002 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC001140921586 796597600 /nfs/dbraw/zinc/59/76/00/796597600.db2.gz ISHLKDOCKBCOJH-MRXNPFEDSA-N 1 0 323.868 2.313 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c(O)c1 ZINC001140949372 796605500 /nfs/dbraw/zinc/60/55/00/796605500.db2.gz AKTBJSYVZSRVOT-RDJZCZTQSA-N 1 0 323.396 2.190 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(n3cccn3)CC2)c(OC)c1 ZINC001141029682 796621040 /nfs/dbraw/zinc/62/10/40/796621040.db2.gz ZTTKMFIRGHYNHZ-UHFFFAOYSA-N 1 0 317.389 2.443 20 10 DECDRO CC[N@H+](CCn1ccnc1)Cc1c(O)cc(OC)cc1OC ZINC001141030644 796621123 /nfs/dbraw/zinc/62/11/23/796621123.db2.gz FFFOIQXJHRUBHG-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(OC)c1 ZINC001141032294 796622715 /nfs/dbraw/zinc/62/27/15/796622715.db2.gz XMBJWIWIUSWMRZ-SJKOYZFVSA-N 1 0 309.406 2.392 20 10 DECDRO CN1CCOc2cc(C[NH+]3CCC4(C[C@H]4CCO)CC3)ccc21 ZINC001141140059 796637832 /nfs/dbraw/zinc/63/78/32/796637832.db2.gz HUHFJAOCFBPMTH-MRXNPFEDSA-N 1 0 316.445 2.500 20 10 DECDRO CN1CCOc2cc(CN3CC[C@H]([N@H+](C)C4CC4)C3)ccc21 ZINC001141144202 796638813 /nfs/dbraw/zinc/63/88/13/796638813.db2.gz DSCXKMGRAMBBTC-INIZCTEOSA-N 1 0 301.434 2.184 20 10 DECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143552 796638945 /nfs/dbraw/zinc/63/89/45/796638945.db2.gz DHWIGDVGUFULGL-HIFRSBDPSA-N 1 0 318.417 2.289 20 10 DECDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145154 796640023 /nfs/dbraw/zinc/64/00/23/796640023.db2.gz QUIIVRKXIWOGOO-MRXNPFEDSA-N 1 0 303.450 2.430 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141156342 796641302 /nfs/dbraw/zinc/64/13/02/796641302.db2.gz JYNQOZOOZCPXEE-ZDUSSCGKSA-N 1 0 305.296 2.377 20 10 DECDRO CCOCCCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001154970013 797650162 /nfs/dbraw/zinc/65/01/62/797650162.db2.gz YGFARGABQGWMCM-UHFFFAOYSA-N 1 0 322.449 2.416 20 10 DECDRO O=C(c1cccc2c[nH+]cn21)N1CCCc2cc(O)c(O)cc2C1 ZINC001155793302 797850531 /nfs/dbraw/zinc/85/05/31/797850531.db2.gz PEBSGNBHPRXRME-UHFFFAOYSA-N 1 0 323.352 2.334 20 10 DECDRO CCc1nnc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)o1 ZINC001203878541 798194933 /nfs/dbraw/zinc/19/49/33/798194933.db2.gz BNGFIFPRCJEZIV-UHFFFAOYSA-N 1 0 303.362 2.423 20 10 DECDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882757 798233701 /nfs/dbraw/zinc/23/37/01/798233701.db2.gz UOLLYLIYNSPJPJ-ZDUSSCGKSA-N 1 0 322.405 2.444 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)[C@@H]2CCCOC2)c1 ZINC000886360673 799395421 /nfs/dbraw/zinc/39/54/21/799395421.db2.gz ZKYDFFSYNQDKEE-CZUORRHYSA-N 1 0 309.406 2.322 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1 ZINC000933054280 800002081 /nfs/dbraw/zinc/00/20/81/800002081.db2.gz HLBUDAZXFQWPDB-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO Oc1ccccc1C[NH+]1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001203551504 800076666 /nfs/dbraw/zinc/07/66/66/800076666.db2.gz GGZBWZNFSWAYLE-UHFFFAOYSA-N 1 0 309.413 2.495 20 10 DECDRO Oc1ccccc1C[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001203552070 800078736 /nfs/dbraw/zinc/07/87/36/800078736.db2.gz ZATXOYSUKBDMRF-QZTJIDSGSA-N 1 0 309.413 2.351 20 10 DECDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203592719 800087198 /nfs/dbraw/zinc/08/71/98/800087198.db2.gz XHKJGEXAVHSGGQ-FUHWJXTLSA-N 1 0 321.417 2.418 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1O ZINC001203601860 800087714 /nfs/dbraw/zinc/08/77/14/800087714.db2.gz OOMFSBUIOLRZHZ-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO COc1ccc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203621711 800091633 /nfs/dbraw/zinc/09/16/33/800091633.db2.gz ZSHFTLZLBGLYQC-UHFFFAOYSA-N 1 0 322.405 2.357 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001203617150 800091821 /nfs/dbraw/zinc/09/18/21/800091821.db2.gz JZOTZADHTAHTSQ-CQSZACIVSA-N 1 0 315.373 2.234 20 10 DECDRO COc1ccc(C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c(O)c1 ZINC001203634809 800095470 /nfs/dbraw/zinc/09/54/70/800095470.db2.gz WNCOFOHMKYYRNQ-UHFFFAOYSA-N 1 0 320.433 2.480 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(O)c1 ZINC001203634339 800095784 /nfs/dbraw/zinc/09/57/84/800095784.db2.gz ABXBOSJRGIRZIM-HNNXBMFYSA-N 1 0 300.358 2.449 20 10 DECDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(O)c(O)c2)CC1 ZINC001203878485 800138850 /nfs/dbraw/zinc/13/88/50/800138850.db2.gz 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800199500 /nfs/dbraw/zinc/19/95/00/800199500.db2.gz ROTHJHDHURLRMA-CYBMUJFWSA-N 1 0 305.296 2.377 20 10 DECDRO CCc1noc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)n1 ZINC001204279967 800200286 /nfs/dbraw/zinc/20/02/86/800200286.db2.gz GSZOQBUEMOGROI-UHFFFAOYSA-N 1 0 303.362 2.423 20 10 DECDRO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)O1 ZINC001204322417 800204784 /nfs/dbraw/zinc/20/47/84/800204784.db2.gz RFPZBXBESWSTSY-SFHVURJKSA-N 1 0 315.417 2.361 20 10 DECDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)cc(O)c1O ZINC001204351962 800208052 /nfs/dbraw/zinc/20/80/52/800208052.db2.gz XRDVHUMKGPPECE-KBPBESRZSA-N 1 0 324.396 2.115 20 10 DECDRO C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC001205151344 800306260 /nfs/dbraw/zinc/30/62/60/800306260.db2.gz SSPZFVJRNVIZON-VHSXEESVSA-N 1 0 304.312 2.317 20 10 DECDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205249379 800329529 /nfs/dbraw/zinc/32/95/29/800329529.db2.gz XQFPUQPBOOSVQP-AWEZNQCLSA-N 1 0 319.232 2.375 20 10 DECDRO 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DECDRO Cc1ccc(C[NH2+]CCN2C(=O)COc3ccccc32)c(O)c1 ZINC001331713092 1149630107 /nfs/dbraw/zinc/63/01/07/1149630107.db2.gz UEOLKTZTHMEXNY-UHFFFAOYSA-N 1 0 312.369 2.216 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593256294 994519910 /nfs/dbraw/zinc/51/99/10/994519910.db2.gz HEKPNVDLTMTDAY-RYUDHWBXSA-N 1 0 304.390 2.225 20 10 DECDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575108626 1069367428 /nfs/dbraw/zinc/36/74/28/1069367428.db2.gz PUXSPPLYAJPTNA-CYBMUJFWSA-N 1 0 308.403 2.416 20 10 DECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001462260637 1058790349 /nfs/dbraw/zinc/79/03/49/1058790349.db2.gz CJLFXBRXZZCIHO-LBPRGKRZSA-N 1 0 308.422 2.351 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC001462527396 1058844962 /nfs/dbraw/zinc/84/49/62/1058844962.db2.gz KZFZUEBAFWIFKY-CQSZACIVSA-N 1 0 321.417 2.073 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C)CCN2C)c1 ZINC001462598853 1058858313 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COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCOC2)cc1C ZINC001480751367 1063295366 /nfs/dbraw/zinc/29/53/66/1063295366.db2.gz CREKQYGLTTUZJZ-ZBFHGGJFSA-N 1 0 320.433 2.025 20 10 DECDRO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001480812908 1063376357 /nfs/dbraw/zinc/37/63/57/1063376357.db2.gz UVJZGZYTJPBBSM-NSHDSACASA-N 1 0 317.393 2.357 20 10 DECDRO CC(C)[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001493451801 1063803906 /nfs/dbraw/zinc/80/39/06/1063803906.db2.gz SCADVAFDMZIMER-UHFFFAOYSA-N 1 0 317.393 2.452 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038082927 1078216735 /nfs/dbraw/zinc/21/67/35/1078216735.db2.gz OPAWOUABKJIQJA-FRRDWIJNSA-N 1 0 309.431 2.273 20 10 DECDRO CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001570127447 1065934355 /nfs/dbraw/zinc/93/43/55/1065934355.db2.gz GYXTVKMQUGGBSN-UHFFFAOYSA-N 1 0 303.366 2.111 20 10 DECDRO CCC(C)(C)OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001576947855 1066729001 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Cc1cc(N(C)C)ccc1CNC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001521490730 1069245813 /nfs/dbraw/zinc/24/58/13/1069245813.db2.gz VLJRHNKLMRXKHZ-UHFFFAOYSA-N 1 0 315.461 2.457 20 10 DECDRO CCCC[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267476874 1078898355 /nfs/dbraw/zinc/89/83/55/1078898355.db2.gz QPGKCOLEBYNDIH-UHFFFAOYSA-N 1 0 305.382 2.311 20 10 DECDRO CC1(C)CN(Cc2c(O)cccc2OC(F)(F)F)CC[NH2+]1 ZINC001235836958 1079038900 /nfs/dbraw/zinc/03/89/00/1079038900.db2.gz ADNDRIOPEGLCPA-UHFFFAOYSA-N 1 0 304.312 2.475 20 10 DECDRO COc1ccc(Br)c(CN2CCC[C@@H]2C[NH3+])c1O ZINC001236247403 1079099380 /nfs/dbraw/zinc/09/93/80/1079099380.db2.gz TUYSWEVWXJWKAR-SECBINFHSA-N 1 0 315.211 2.086 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001647028051 1074771823 /nfs/dbraw/zinc/77/18/23/1074771823.db2.gz XTCAMRRCQGGWDB-SFHVURJKSA-N 1 0 304.434 2.164 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)CCCCCO)[NH+](C)C)cc1 ZINC001648477927 1074999544 /nfs/dbraw/zinc/99/95/44/1074999544.db2.gz KDAITXUGHLXHJJ-KRWDZBQOSA-N 1 0 321.465 2.024 20 10 DECDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560350554 1075138713 /nfs/dbraw/zinc/13/87/13/1075138713.db2.gz XUMGYGMYMWZUCE-MRXNPFEDSA-N 1 0 323.456 2.218 20 10 DECDRO COc1cccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1O ZINC001560811099 1075146090 /nfs/dbraw/zinc/14/60/90/1075146090.db2.gz YOFZEOYJGILCPZ-UHFFFAOYSA-N 1 0 321.398 2.094 20 10 DECDRO COC1CC(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001561040127 1075150147 /nfs/dbraw/zinc/15/01/47/1075150147.db2.gz KLQRMSCZAXOZCX-UYJHFMRCSA-N 1 0 305.466 2.370 20 10 DECDRO C[C@@H]([NH2+]Cc1csc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001591730435 1076780147 /nfs/dbraw/zinc/78/01/47/1076780147.db2.gz ORSQOEQLEIJLBN-SECBINFHSA-N 1 0 301.375 2.485 20 10 DECDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001597056377 1077087981 /nfs/dbraw/zinc/08/79/81/1077087981.db2.gz DOGZXHLWWOOUSQ-CYBMUJFWSA-N 1 0 308.422 2.267 20 10 DECDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001655899056 1080024940 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CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266515241 1082096568 /nfs/dbraw/zinc/09/65/68/1082096568.db2.gz RHJHVRIBFYOYMA-INIZCTEOSA-N 1 0 320.433 2.121 20 10 DECDRO C[N@@H+]1C[C@@H]2CCN(Cc3c(O)cccc3OC(F)(F)F)[C@@H]2C1 ZINC001276830601 1083635478 /nfs/dbraw/zinc/63/54/78/1083635478.db2.gz PTAPWZQNQIHKHR-CMPLNLGQSA-N 1 0 316.323 2.427 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c2ccccc21 ZINC001277173630 1083828988 /nfs/dbraw/zinc/82/89/88/1083828988.db2.gz FCLCQBAZHALZDW-IFXJQAMLSA-N 1 0 309.413 2.356 20 10 DECDRO CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2)C(C)C ZINC001277441804 1083970361 /nfs/dbraw/zinc/97/03/61/1083970361.db2.gz PMFWXYAENQTVJX-CRAIPNDOSA-N 1 0 302.418 2.471 20 10 DECDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc4c(c3)CCCO4)(C1)C2 ZINC001277507308 1084008930 /nfs/dbraw/zinc/00/89/30/1084008930.db2.gz VKHWESPSZBZMOZ-UHFFFAOYSA-N 1 0 300.402 2.112 20 10 DECDRO O=C1OC2(CC[NH+](Cc3ccccc3O)CC2)c2cccnc21 ZINC001203558659 1084185802 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[NH3+][C@]12CC[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001235984583 1084581514 /nfs/dbraw/zinc/58/15/14/1084581514.db2.gz BWVLPHQDNHEIQO-PBHICJAKSA-N 1 0 321.852 2.100 20 10 DECDRO CCOC(=O)c1c(CN(CC)CC[NH2+]C)c2ccccc2n1C ZINC001236143716 1084620051 /nfs/dbraw/zinc/62/00/51/1084620051.db2.gz ONRMDXWRPWYFTH-UHFFFAOYSA-N 1 0 317.433 2.396 20 10 DECDRO CON1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000709385523 1086682339 /nfs/dbraw/zinc/68/23/39/1086682339.db2.gz VWZRGOCQEGROOU-UHFFFAOYSA-N 1 0 315.211 2.270 20 10 DECDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001081026265 1089283546 /nfs/dbraw/zinc/28/35/46/1089283546.db2.gz XCKICMMOVOEEKR-BXUZGUMPSA-N 1 0 317.393 2.308 20 10 DECDRO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c1O ZINC001276080278 1091514827 /nfs/dbraw/zinc/51/48/27/1091514827.db2.gz NUPQUZZNNWHGSY-HOTGVXAUSA-N 1 0 317.433 2.467 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1 ZINC001276169560 1091630430 /nfs/dbraw/zinc/63/04/30/1091630430.db2.gz RXNDWYJRZBZXLU-UHFFFAOYSA-N 1 0 317.433 2.326 20 10 DECDRO Oc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)cc1O ZINC001275821076 1092178251 /nfs/dbraw/zinc/17/82/51/1092178251.db2.gz HPVLVGBSSIXSCG-UHFFFAOYSA-N 1 0 313.401 2.134 20 10 DECDRO Oc1cc(OCc2ccccc2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236296416 1138347456 /nfs/dbraw/zinc/34/74/56/1138347456.db2.gz SRCHXVYYINSOFX-AEFFLSMTSA-N 1 0 310.397 2.375 20 10 DECDRO COc1cc(C[N@H+]2CC[C@@H](OC)C2)c(O)cc1Br ZINC001236749160 1138406435 /nfs/dbraw/zinc/40/64/35/1138406435.db2.gz YZBSBVROAZCEMH-SNVBAGLBSA-N 1 0 316.195 2.384 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236751855 1138408177 /nfs/dbraw/zinc/40/81/77/1138408177.db2.gz LBGVMIDISWTJRP-WCQYABFASA-N 1 0 323.389 2.040 20 10 DECDRO CCc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c(O)c1 ZINC001236793549 1138429134 /nfs/dbraw/zinc/42/91/34/1138429134.db2.gz YOIREHLSUFQNNW-UHFFFAOYSA-N 1 0 300.406 2.463 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)c1 ZINC001236816268 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C[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC001237121912 1138508436 /nfs/dbraw/zinc/50/84/36/1138508436.db2.gz CHECQAXTDLTWPB-SNVBAGLBSA-N 1 0 304.312 2.427 20 10 DECDRO COc1cc(C[N@H+](C)CCc2ccccn2)c(O)c(OC)c1 ZINC001237674453 1138748179 /nfs/dbraw/zinc/74/81/79/1138748179.db2.gz IGLIZGXQSYGIOD-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001238061619 1138819267 /nfs/dbraw/zinc/81/92/67/1138819267.db2.gz PDXLFCFISKVUCG-KRWDZBQOSA-N 1 0 306.381 2.474 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC001238070089 1138819980 /nfs/dbraw/zinc/81/99/80/1138819980.db2.gz MNUJDDJSDPLGDQ-UHFFFAOYSA-N 1 0 306.381 2.427 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC001238070716 1138819999 /nfs/dbraw/zinc/81/99/99/1138819999.db2.gz OHDHUSYZUWMNGP-UHFFFAOYSA-N 1 0 304.369 2.348 20 10 DECDRO CCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001278335528 1139849115 /nfs/dbraw/zinc/84/91/15/1139849115.db2.gz NXHAYQCDRQEQPA-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@H]3C(=O)N3CC=CC3)C2)c1O ZINC001278358975 1140079074 /nfs/dbraw/zinc/07/90/74/1140079074.db2.gz YUMXWPMMUXSGDW-INIZCTEOSA-N 1 0 312.413 2.229 20 10 DECDRO CCC[N@H+](C)CC(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001319624562 1140627654 /nfs/dbraw/zinc/62/76/54/1140627654.db2.gz OYYVKWRGGUIZIX-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CCCC[NH2+]C3)CC2)c(C)c1 ZINC001246932798 1141142471 /nfs/dbraw/zinc/14/24/71/1141142471.db2.gz GZZQQPHMILXSAI-MRXNPFEDSA-N 1 0 303.450 2.268 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H](O)C[NH3+])n2)cc1 ZINC001247499727 1141369037 /nfs/dbraw/zinc/36/90/37/1141369037.db2.gz AGHHESASQSQJCB-HNNXBMFYSA-N 1 0 312.373 2.006 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322740319 1141704119 /nfs/dbraw/zinc/70/41/19/1141704119.db2.gz JPBOEPJNOKJRAZ-HUUCEWRRSA-N 1 0 305.422 2.406 20 10 DECDRO CCN(CC[NH+](CC)CC)Cc1ccc(CC(=O)OC)cc1O ZINC001249201154 1141859175 /nfs/dbraw/zinc/85/91/75/1141859175.db2.gz HRSWQMPNDJKWCI-UHFFFAOYSA-N 1 0 322.449 2.271 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c(O)c1 ZINC001249201108 1141859215 /nfs/dbraw/zinc/85/92/15/1141859215.db2.gz GAQISEFPFYZLKH-INIZCTEOSA-N 1 0 321.417 2.497 20 10 DECDRO COC(=O)Cc1ccc(CN(C)Cc2cscn2)c(O)c1 ZINC001249207760 1141860248 /nfs/dbraw/zinc/86/02/48/1141860248.db2.gz ICOXFFCJDQSVLJ-UHFFFAOYSA-N 1 0 306.387 2.196 20 10 DECDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC1CCOCC1 ZINC001324600449 1142138247 /nfs/dbraw/zinc/13/82/47/1142138247.db2.gz BXCPIJKXNNVCKA-ZBFHGGJFSA-N 1 0 305.418 2.394 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccns2)[NH+](C)C)cc1 ZINC001336115415 1142360446 /nfs/dbraw/zinc/36/04/46/1142360446.db2.gz ZQTNEOBGJRNLDZ-AWEZNQCLSA-N 1 0 318.446 2.242 20 10 DECDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001337001546 1142652923 /nfs/dbraw/zinc/65/29/23/1142652923.db2.gz VFBACWKIYJRTIB-HOCLYGCPSA-N 1 0 301.434 2.373 20 10 DECDRO Nc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001337026241 1142663195 /nfs/dbraw/zinc/66/31/95/1142663195.db2.gz VBRWREXSZPOKMP-UHFFFAOYSA-N 1 0 302.422 2.039 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCCNC1=O ZINC001254005035 1143024057 /nfs/dbraw/zinc/02/40/57/1143024057.db2.gz RYTCXOXOFWGQES-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC001339835048 1143125619 /nfs/dbraw/zinc/12/56/19/1143125619.db2.gz IXFVNHDVAGMGMO-UONOGXRCSA-N 1 0 309.385 2.203 20 10 DECDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC001340190218 1143297218 /nfs/dbraw/zinc/29/72/18/1143297218.db2.gz HJNZJTFPVYNGLQ-INIZCTEOSA-N 1 0 303.450 2.449 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)cc1 ZINC001340824959 1143456572 /nfs/dbraw/zinc/45/65/72/1143456572.db2.gz UQNNKAONYULBKN-TWMKSMIVSA-N 1 0 301.434 2.132 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]([NH3+])C(C)(C)C)cc1 ZINC001342061875 1143778889 /nfs/dbraw/zinc/77/88/89/1143778889.db2.gz ZXTBFHYQTXDOBW-MRXNPFEDSA-N 1 0 321.465 2.353 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(C)n1-c1ccccn1 ZINC001342575591 1143824587 /nfs/dbraw/zinc/82/45/87/1143824587.db2.gz WKNXWMUZBVMVFM-OAHLLOKOSA-N 1 0 312.417 2.298 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)COC(C)C)cc1C ZINC001265757825 1144738142 /nfs/dbraw/zinc/73/81/42/1144738142.db2.gz XUOOAANLNHAXQP-CQSZACIVSA-N 1 0 308.422 2.023 20 10 DECDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001290777374 1146842581 /nfs/dbraw/zinc/84/25/81/1146842581.db2.gz FZMIDKNJRCPXFF-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H]1CCC[C@](CNC(=O)Cc2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC001291949799 1146848645 /nfs/dbraw/zinc/84/86/45/1146848645.db2.gz ZPXBIJGVNMFDEM-UGSOOPFHSA-N 1 0 320.433 2.267 20 10 DECDRO CCNC(=O)C1(C[NH2+]Cc2c(C)cc(OC)cc2O)CCC1 ZINC001308729624 1147483874 /nfs/dbraw/zinc/48/38/74/1147483874.db2.gz IXDWKDOOKLHWDO-UHFFFAOYSA-N 1 0 306.406 2.105 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CS1(=O)=O ZINC001308854829 1147487828 /nfs/dbraw/zinc/48/78/28/1147487828.db2.gz RDVGRVLBPRTMJP-BXKDBHETSA-N 1 0 303.811 2.101 20 10 DECDRO CCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)COC1 ZINC001324676831 1147829551 /nfs/dbraw/zinc/82/95/51/1147829551.db2.gz PCJLCHHHAQIEMP-UHFFFAOYSA-N 1 0 321.440 2.094 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000237219326 282573412 /nfs/dbraw/zinc/57/34/12/282573412.db2.gz JCEPXFVBXUEMAE-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000075961130 355116193 /nfs/dbraw/zinc/11/61/93/355116193.db2.gz IHLFECFHVQOHAM-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO CCC[C@H]1CN(Cc2cccc(OC)c2O)CC[N@@H+]1CCOC ZINC000091858610 193119057 /nfs/dbraw/zinc/11/90/57/193119057.db2.gz SCYDXCITJARDCQ-INIZCTEOSA-N 1 0 322.449 2.334 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H](C)O1 ZINC000092013229 193142198 /nfs/dbraw/zinc/14/21/98/193142198.db2.gz VPHDYQRGYVGGSM-SJKOYZFVSA-N 1 0 315.369 2.308 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186022204 296156603 /nfs/dbraw/zinc/15/66/03/296156603.db2.gz BERGZWDABHIXQJ-LDYMZIIASA-N 1 0 320.286 2.345 20 10 DECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000272471467 130033239 /nfs/dbraw/zinc/03/32/39/130033239.db2.gz AIUYVSJWEGTQPS-NXEZZACHSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1C ZINC000273357015 130110413 /nfs/dbraw/zinc/11/04/13/130110413.db2.gz CXRCCIJQLLHGLA-ZDUSSCGKSA-N 1 0 311.447 2.484 20 10 DECDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000274647061 130252149 /nfs/dbraw/zinc/25/21/49/130252149.db2.gz KTCUJSOCGYCSKS-HNNXBMFYSA-N 1 0 311.422 2.421 20 10 DECDRO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000275815905 130391052 /nfs/dbraw/zinc/39/10/52/130391052.db2.gz FRCOUCDHJMXYAV-HNNXBMFYSA-N 1 0 312.417 2.472 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)o1 ZINC000289503306 131391837 /nfs/dbraw/zinc/39/18/37/131391837.db2.gz TWGLIOPJFAWIKP-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO COCCOC1(C[NH2+][C@H](C)c2ccccc2O)CCOCC1 ZINC000296433168 131962954 /nfs/dbraw/zinc/96/29/54/131962954.db2.gz LZFNNWYHGLVTKX-CQSZACIVSA-N 1 0 309.406 2.255 20 10 DECDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014285132 401811336 /nfs/dbraw/zinc/81/13/36/401811336.db2.gz RQFAYLLIVCIOCF-ZDUSSCGKSA-N 1 0 305.399 2.164 20 10 DECDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000121171289 402018981 /nfs/dbraw/zinc/01/89/81/402018981.db2.gz MLLVOKBHPKTAFY-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000093898749 402021516 /nfs/dbraw/zinc/02/15/16/402021516.db2.gz QUBVUTHSUDBTNI-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO CCn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000121297880 402026645 /nfs/dbraw/zinc/02/66/45/402026645.db2.gz YHMPFPXBZJHSFG-UHFFFAOYSA-N 1 0 314.433 2.372 20 10 DECDRO Oc1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)C1)OCO2 ZINC000092047370 402000894 /nfs/dbraw/zinc/00/08/94/402000894.db2.gz XYVFDTVFRWTGQC-AWEZNQCLSA-N 1 0 304.390 2.181 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3ccnn3C)CC2)cc1 ZINC000092380791 402004427 /nfs/dbraw/zinc/00/44/27/402004427.db2.gz PDMOZLLGLIEYQL-UHFFFAOYSA-N 1 0 300.406 2.141 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C)CC1 ZINC000066697417 402140081 /nfs/dbraw/zinc/14/00/81/402140081.db2.gz NPKXIBKJNDCYPB-UHFFFAOYSA-N 1 0 305.422 2.408 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1O ZINC000154833639 402235601 /nfs/dbraw/zinc/23/56/01/402235601.db2.gz VKWXMRDWDOQPCS-OAHLLOKOSA-N 1 0 318.417 2.139 20 10 DECDRO CC(C)[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000156354555 402280293 /nfs/dbraw/zinc/28/02/93/402280293.db2.gz XQGQJLWCJIKVCC-QGZVFWFLSA-N 1 0 304.434 2.473 20 10 DECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184693225 402292119 /nfs/dbraw/zinc/29/21/19/402292119.db2.gz MXBGPJXFYQFCCQ-SNVBAGLBSA-N 1 0 312.797 2.012 20 10 DECDRO C[C@H]1CCC[C@](CNC(=O)Cc2ccc(N)cc2)([NH+](C)C)C1 ZINC000237545446 402411954 /nfs/dbraw/zinc/41/19/54/402411954.db2.gz YERPGFMFEFMIJP-KSSFIOAISA-N 1 0 303.450 2.438 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(F)ccc1O ZINC000186375870 402426172 /nfs/dbraw/zinc/42/61/72/402426172.db2.gz VPJHRKJFBJYHQK-YPMHNXCESA-N 1 0 311.353 2.104 20 10 DECDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000166063766 402481295 /nfs/dbraw/zinc/48/12/95/402481295.db2.gz XOPFCHDYZKATMY-CQSZACIVSA-N 1 0 303.450 2.438 20 10 DECDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000179446845 402590273 /nfs/dbraw/zinc/59/02/73/402590273.db2.gz BNUCOTOFBKORAK-UHFFFAOYSA-N 1 0 306.406 2.353 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000182345489 402682418 /nfs/dbraw/zinc/68/24/18/402682418.db2.gz WIPKYFLUUGJZMC-ZDUSSCGKSA-N 1 0 306.406 2.454 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278847471 402877629 /nfs/dbraw/zinc/87/76/29/402877629.db2.gz QBXPZQBQGKZUNY-LXIYXOSZSA-N 1 0 305.418 2.462 20 10 DECDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278917275 402885583 /nfs/dbraw/zinc/88/55/83/402885583.db2.gz UFOYIQAEPCXNQR-LLVKDONJSA-N 1 0 311.382 2.129 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000279434091 402942738 /nfs/dbraw/zinc/94/27/38/402942738.db2.gz OJNUWHCCQNOVGS-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000279708450 402961182 /nfs/dbraw/zinc/96/11/82/402961182.db2.gz SQTRPQNICCLEHG-NSHDSACASA-N 1 0 315.339 2.079 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280708292 403029010 /nfs/dbraw/zinc/02/90/10/403029010.db2.gz DGNBIKVQMJAYNQ-APWZRJJASA-N 1 0 313.445 2.293 20 10 DECDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000281994868 403111791 /nfs/dbraw/zinc/11/17/91/403111791.db2.gz TUUPGIBKJYESSC-PIGZYNQJSA-N 1 0 323.389 2.040 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282659628 403157844 /nfs/dbraw/zinc/15/78/44/403157844.db2.gz IOMUAPUNQSTFDH-RHSMWYFYSA-N 1 0 305.418 2.358 20 10 DECDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C)c(O)c1O ZINC000276455367 403176968 /nfs/dbraw/zinc/17/69/68/403176968.db2.gz NAGZUHIKVBEERP-UHFFFAOYSA-N 1 0 306.406 2.354 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1C ZINC000277713681 403248585 /nfs/dbraw/zinc/24/85/85/403248585.db2.gz WTDLBTHKXGFACA-HNNXBMFYSA-N 1 0 311.447 2.408 20 10 DECDRO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000271234734 403282226 /nfs/dbraw/zinc/28/22/26/403282226.db2.gz AQMHWAYNYDWNQO-TVQRCGJNSA-N 1 0 300.196 2.357 20 10 DECDRO OCC1([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CC2)CCOCC1 ZINC000294030700 403628310 /nfs/dbraw/zinc/62/83/10/403628310.db2.gz OEXVQHOIWSFYAK-SFHVURJKSA-N 1 0 317.429 2.279 20 10 DECDRO COc1cccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1O ZINC000295108871 403762334 /nfs/dbraw/zinc/76/23/34/403762334.db2.gz VXYFHFNFZSJJMK-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000296074772 404082218 /nfs/dbraw/zinc/08/22/18/404082218.db2.gz QEDWWZJCZAJCKO-UHFFFAOYSA-N 1 0 301.434 2.421 20 10 DECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000296433176 404245572 /nfs/dbraw/zinc/24/55/72/404245572.db2.gz LZFRADXQRYXSOR-JSGCOSHPSA-N 1 0 314.451 2.069 20 10 DECDRO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](C)OC ZINC000291264125 404379865 /nfs/dbraw/zinc/37/98/65/404379865.db2.gz OWZILMONUBOORO-HNNXBMFYSA-N 1 0 321.465 2.068 20 10 DECDRO COCCCN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297668963 404585717 /nfs/dbraw/zinc/58/57/17/404585717.db2.gz KZGFCYSYXZNXDL-INIZCTEOSA-N 1 0 304.434 2.470 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc1C ZINC000527768442 406745032 /nfs/dbraw/zinc/74/50/32/406745032.db2.gz AJLHYJXOYJHCRH-IBGZPJMESA-N 1 0 313.397 2.465 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160543543 287015392 /nfs/dbraw/zinc/01/53/92/287015392.db2.gz AORQJJLXNZNEJF-SNVBAGLBSA-N 1 0 303.328 2.082 20 10 DECDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834898091 649858846 /nfs/dbraw/zinc/85/88/46/649858846.db2.gz ZBUIWSQBLYSXLF-AWEZNQCLSA-N 1 0 322.424 2.476 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000834914282 649859709 /nfs/dbraw/zinc/85/97/09/649859709.db2.gz LSWOYNNMFGYWBQ-HUBLWGQQSA-N 1 0 304.390 2.205 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc21 ZINC000653144367 425417166 /nfs/dbraw/zinc/41/71/66/425417166.db2.gz QIJFEEYPGNHYKK-STQMWFEESA-N 1 0 317.433 2.370 20 10 DECDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000272507826 275049634 /nfs/dbraw/zinc/04/96/34/275049634.db2.gz WORQQOZOULUHQM-RDJZCZTQSA-N 1 0 305.349 2.106 20 10 DECDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000193685261 278372341 /nfs/dbraw/zinc/37/23/41/278372341.db2.gz CWCKTGHDUZCBTM-WMLDXEAASA-N 1 0 301.434 2.291 20 10 DECDRO CC1(C)[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]2CCCO[C@H]21 ZINC000360035888 337084158 /nfs/dbraw/zinc/08/41/58/337084158.db2.gz LJQXUCPSDRSAHV-HFBAOOFYSA-N 1 0 305.374 2.414 20 10 DECDRO C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+](C2CC2)C1 ZINC000295746381 533792547 /nfs/dbraw/zinc/79/25/47/533792547.db2.gz UFVNVEFETLCXJE-LPZVBRGNSA-N 1 0 316.401 2.054 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H](O)C3)CC2)cc1 ZINC000372754781 533999036 /nfs/dbraw/zinc/99/90/36/533999036.db2.gz AHMIWXNNFAZLEW-RHSMWYFYSA-N 1 0 304.434 2.415 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCCCNC2=O)cc1 ZINC000835029398 649869228 /nfs/dbraw/zinc/86/92/28/649869228.db2.gz XKVWESYRRSTUDM-TUYSUELWSA-N 1 0 301.434 2.366 20 10 DECDRO COCCN1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835034949 649869435 /nfs/dbraw/zinc/86/94/35/649869435.db2.gz CIVHHSQQFBKOAV-PLNGDYQASA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000835034835 649869598 /nfs/dbraw/zinc/86/95/98/649869598.db2.gz BPTRIPDYHUVGGL-HYXAFXHYSA-N 1 0 313.401 2.265 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c(O)c1 ZINC000188826083 520350474 /nfs/dbraw/zinc/35/04/74/520350474.db2.gz HFYGNBDKAZILNP-MRXNPFEDSA-N 1 0 309.406 2.418 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160317029 520874141 /nfs/dbraw/zinc/87/41/41/520874141.db2.gz KENVRYSLHMUOIF-AWEZNQCLSA-N 1 0 308.422 2.326 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000366331143 520915122 /nfs/dbraw/zinc/91/51/22/520915122.db2.gz UJIHOIOCWABPHL-GOSISDBHSA-N 1 0 319.449 2.251 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)CCC[NH3+] ZINC000236915913 521285505 /nfs/dbraw/zinc/28/55/05/521285505.db2.gz DDJWGWFDYNJLQP-UHFFFAOYSA-N 1 0 315.211 2.242 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@@H](C)CC)cc2=O ZINC000183056028 521581801 /nfs/dbraw/zinc/58/18/01/521581801.db2.gz LOZAOJHZCAMZSL-WDEREUQCSA-N 1 0 320.393 2.136 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2cccs2)cc1OC ZINC000182383910 522780571 /nfs/dbraw/zinc/78/05/71/522780571.db2.gz UZTQBPVLQVJKHI-INIZCTEOSA-N 1 0 323.414 2.468 20 10 DECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1O ZINC000265000374 523024777 /nfs/dbraw/zinc/02/47/77/523024777.db2.gz IWKXQNKSQUSDCK-HNNXBMFYSA-N 1 0 305.422 2.456 20 10 DECDRO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1O)c1ccncc1 ZINC000190020665 523311014 /nfs/dbraw/zinc/31/10/14/523311014.db2.gz MJMIISVUSKVLCB-QGZVFWFLSA-N 1 0 300.358 2.355 20 10 DECDRO C[C@@H]([NH2+]CCOCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000159099770 525452072 /nfs/dbraw/zinc/45/20/72/525452072.db2.gz RSHWTTDINQDVEV-CQSZACIVSA-N 1 0 310.413 2.476 20 10 DECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000237898580 525780291 /nfs/dbraw/zinc/78/02/91/525780291.db2.gz FVIPXPLECBZVAO-HNNXBMFYSA-N 1 0 301.342 2.253 20 10 DECDRO COc1cccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1O ZINC000189010115 526031554 /nfs/dbraw/zinc/03/15/54/526031554.db2.gz RITOJCQSGZZEDK-MRXNPFEDSA-N 1 0 301.386 2.402 20 10 DECDRO OCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000158335763 527550235 /nfs/dbraw/zinc/55/02/35/527550235.db2.gz FAOAWPJJGZJNFS-UHFFFAOYSA-N 1 0 301.342 2.115 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@]12CCCO2 ZINC000378582558 527837365 /nfs/dbraw/zinc/83/73/65/527837365.db2.gz XLBHMPHQQGKIOU-KZNAEPCWSA-N 1 0 303.402 2.438 20 10 DECDRO CC(C)N1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835039623 649870352 /nfs/dbraw/zinc/87/03/52/649870352.db2.gz HXIZABWGQFJSAW-SQRWCISFSA-N 1 0 301.434 2.365 20 10 DECDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000835042864 649870671 /nfs/dbraw/zinc/87/06/71/649870671.db2.gz LCADAYOUIPZSOF-PWSDSBMBSA-N 1 0 303.450 2.075 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042901 649870694 /nfs/dbraw/zinc/87/06/94/649870694.db2.gz LQQHVVVKTMFTLS-GEXIGZQTSA-N 1 0 310.463 2.179 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000835044154 649870726 /nfs/dbraw/zinc/87/07/26/649870726.db2.gz XGBNAROCDNUCHE-ARJAWSKDSA-N 1 0 315.377 2.160 20 10 DECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000835048365 649871539 /nfs/dbraw/zinc/87/15/39/649871539.db2.gz HMBPBIGYIGDQPP-LLTUXLDESA-N 1 0 306.475 2.466 20 10 DECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000835089218 649877559 /nfs/dbraw/zinc/87/75/59/649877559.db2.gz XSWPJPZEFJBZII-DZGCQCFKSA-N 1 0 308.397 2.319 20 10 DECDRO CC(C)c1ccc(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC001474595732 1152556030 /nfs/dbraw/zinc/55/60/30/1152556030.db2.gz XWZHKWDVBWPKFX-CQSZACIVSA-N 1 0 319.449 2.067 20 10 DECDRO CC(C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000756353673 598208567 /nfs/dbraw/zinc/20/85/67/598208567.db2.gz OXTAZWVHCINCIK-QGZVFWFLSA-N 1 0 319.449 2.027 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)c2ccccc2)c(O)c1OC ZINC001355263458 1151996990 /nfs/dbraw/zinc/99/69/90/1151996990.db2.gz BEQYOXVINOFLHS-AWEZNQCLSA-N 1 0 303.358 2.233 20 10 DECDRO F[C@@H]1CC2(CC[C@H]1[NH2+]Cc1ccc3c(c1)CCO3)OCCO2 ZINC000892794836 625613816 /nfs/dbraw/zinc/61/38/16/625613816.db2.gz XGSMVJIEPSSVQP-HUUCEWRRSA-N 1 0 307.365 2.345 20 10 DECDRO CC(C)[C@H](F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246779 623790590 /nfs/dbraw/zinc/79/05/90/623790590.db2.gz DJDKIKGQEXBPJC-HOTGVXAUSA-N 1 0 309.429 2.466 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000891249908 623794577 /nfs/dbraw/zinc/79/45/77/623794577.db2.gz UHYSMOZCDBOLTM-UONOGXRCSA-N 1 0 311.376 2.127 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccoc2)[NH+](C)C)cc1 ZINC000891248811 623794650 /nfs/dbraw/zinc/79/46/50/623794650.db2.gz OFIJXJKYCLCZEJ-KRWDZBQOSA-N 1 0 315.417 2.307 20 10 DECDRO Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)co1 ZINC000891249869 623794889 /nfs/dbraw/zinc/79/48/89/623794889.db2.gz XHOULGCGLUAEPK-INIZCTEOSA-N 1 0 316.405 2.082 20 10 DECDRO Cc1ocnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254804 623801755 /nfs/dbraw/zinc/80/17/55/623801755.db2.gz JWGOHORLFZZLIE-OAHLLOKOSA-N 1 0 316.405 2.082 20 10 DECDRO CCS(=O)(=O)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000194358484 625709709 /nfs/dbraw/zinc/70/97/09/625709709.db2.gz ABNMRTKWAJMHKU-UHFFFAOYSA-N 1 0 311.447 2.408 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2CC2)[NH+](C)C)cc1 ZINC000891727684 624563112 /nfs/dbraw/zinc/56/31/12/624563112.db2.gz FADSDJWIYMKOGD-MRXNPFEDSA-N 1 0 304.438 2.065 20 10 DECDRO COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784244 /nfs/dbraw/zinc/78/42/44/624784244.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 1 0 308.422 2.324 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCCC[C@@H]2C)c(O)c1OC ZINC000892575701 625162680 /nfs/dbraw/zinc/16/26/80/625162680.db2.gz YVEHKYCNWKRQFM-ZDUSSCGKSA-N 1 0 308.422 2.373 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c(O)c1OC ZINC000892590934 625176978 /nfs/dbraw/zinc/17/69/78/625176978.db2.gz ZFTHCOUMLVBCNO-KBPBESRZSA-N 1 0 306.406 2.126 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F)c1 ZINC000182325361 625253847 /nfs/dbraw/zinc/25/38/47/625253847.db2.gz VUCXJMWAFUREIK-SECBINFHSA-N 1 0 320.311 2.072 20 10 DECDRO CS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000311955045 625730102 /nfs/dbraw/zinc/73/01/02/625730102.db2.gz MGMMKFBNCYCBKW-LBPRGKRZSA-N 1 0 303.811 2.055 20 10 DECDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000195313287 625786172 /nfs/dbraw/zinc/78/61/72/625786172.db2.gz RKSDRBSFOLJSTL-IYBDPMFKSA-N 1 0 305.466 2.294 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000840933986 634780007 /nfs/dbraw/zinc/78/00/07/634780007.db2.gz LJXWOJODEMQPEX-QZTJIDSGSA-N 1 0 303.450 2.014 20 10 DECDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186137623 633098012 /nfs/dbraw/zinc/09/80/12/633098012.db2.gz IDADKIRJMFVVTK-NSHDSACASA-N 1 0 304.390 2.372 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000893536834 634216613 /nfs/dbraw/zinc/21/66/13/634216613.db2.gz MBPQHRAGERNYTK-JQWIXIFHSA-N 1 0 323.824 2.470 20 10 DECDRO CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980509631 635030541 /nfs/dbraw/zinc/03/05/41/635030541.db2.gz AKVWZZFAFCWANC-AWEZNQCLSA-N 1 0 317.393 2.405 20 10 DECDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001028370 635390658 /nfs/dbraw/zinc/39/06/58/635390658.db2.gz AQKQMXPAVLSCRS-AWEZNQCLSA-N 1 0 317.393 2.452 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000893677663 635756406 /nfs/dbraw/zinc/75/64/06/635756406.db2.gz XDKNCSJHBSCHRQ-YPMHNXCESA-N 1 0 323.389 2.183 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2S(C)(=O)=O)c1 ZINC000840961258 635789876 /nfs/dbraw/zinc/78/98/76/635789876.db2.gz DSHGHMHSTJYMHR-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922074921 635847771 /nfs/dbraw/zinc/84/77/71/635847771.db2.gz ANNNXJTXIYHCFU-UHFFFAOYSA-N 1 0 309.431 2.069 20 10 DECDRO c1ncn(-c2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)ccn2)n1 ZINC000922302192 636073386 /nfs/dbraw/zinc/07/33/86/636073386.db2.gz MVISDLAVIWWGNS-UHFFFAOYSA-N 1 0 321.384 2.277 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1O ZINC000922523695 636216986 /nfs/dbraw/zinc/21/69/86/636216986.db2.gz CPKIBDGGVJWJMX-KGLIPLIRSA-N 1 0 308.447 2.070 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1 ZINC000922611636 636281433 /nfs/dbraw/zinc/28/14/33/636281433.db2.gz MXVJNLHDOBVZSM-KRWDZBQOSA-N 1 0 309.406 2.465 20 10 DECDRO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000924900589 636490194 /nfs/dbraw/zinc/49/01/94/636490194.db2.gz FACIQWIFJOOLFA-AWEZNQCLSA-N 1 0 322.405 2.118 20 10 DECDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000894287530 636700005 /nfs/dbraw/zinc/70/00/05/636700005.db2.gz VMZNQPXWYVYDHQ-HUUCEWRRSA-N 1 0 318.465 2.455 20 10 DECDRO COc1cccc(C[NH2+]Cc2nc3c(s2)COCC3)c1O ZINC000922964438 636888165 /nfs/dbraw/zinc/88/81/65/636888165.db2.gz IDIDTKDJIHVXLK-UHFFFAOYSA-N 1 0 306.387 2.220 20 10 DECDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841858470 636989255 /nfs/dbraw/zinc/98/92/55/636989255.db2.gz ZIFUAFBLKNDOAH-ZDUSSCGKSA-N 1 0 314.480 2.006 20 10 DECDRO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(O)c1OC ZINC000894497107 637069216 /nfs/dbraw/zinc/06/92/16/637069216.db2.gz UHQUYQFFXNXYAZ-JSGCOSHPSA-N 1 0 308.422 2.181 20 10 DECDRO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(O)c1OC ZINC000894621486 637136088 /nfs/dbraw/zinc/13/60/88/637136088.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 1 0 320.433 2.327 20 10 DECDRO CCS(=O)(=O)CCN(C)Cc1cc(Cl)c(C)cc1O ZINC000824863180 637281485 /nfs/dbraw/zinc/28/14/85/637281485.db2.gz OTTQAJWHQATHOE-UHFFFAOYSA-N 1 0 305.827 2.221 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000895008379 637380732 /nfs/dbraw/zinc/38/07/32/637380732.db2.gz WJWGUMVBKOEXIX-ZDUSSCGKSA-N 1 0 302.378 2.207 20 10 DECDRO Cc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000738300602 637413680 /nfs/dbraw/zinc/41/36/80/637413680.db2.gz YJBUYOWQIOJLBP-UHFFFAOYSA-N 1 0 312.417 2.254 20 10 DECDRO COC(=O)c1c(C[NH2+][C@H]2CO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000895083713 637527414 /nfs/dbraw/zinc/52/74/14/637527414.db2.gz LVBVUFCYCCWFFF-CMPLNLGQSA-N 1 0 320.364 2.371 20 10 DECDRO Fc1cc(C[NH2+]CC2(F)CC2)cc(F)c1N1CCOCC1 ZINC000839144108 637805441 /nfs/dbraw/zinc/80/54/41/637805441.db2.gz GDLIERVLGFSHSF-UHFFFAOYSA-N 1 0 300.324 2.393 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000840917272 650379739 /nfs/dbraw/zinc/37/97/39/650379739.db2.gz PMBPVRCEBPLHOW-QGZVFWFLSA-N 1 0 317.477 2.215 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c(Cl)c1 ZINC000840918285 650382142 /nfs/dbraw/zinc/38/21/42/650382142.db2.gz ROMMSSYOYYKDLH-UHFFFAOYSA-N 1 0 308.809 2.456 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000840935767 650388861 /nfs/dbraw/zinc/38/88/61/650388861.db2.gz CTTLFPYWLISKCW-AWEZNQCLSA-N 1 0 315.417 2.449 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N(C)C)cc2C)CCCOC1 ZINC000840936686 650389159 /nfs/dbraw/zinc/38/91/59/650389159.db2.gz CHGYQUCSTNHKPA-GOSISDBHSA-N 1 0 320.433 2.263 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C=CCC2)[NH+](C)C)cc1 ZINC000895719442 638164646 /nfs/dbraw/zinc/16/46/46/638164646.db2.gz RXRSGVLGQAETRO-NVXWUHKLSA-N 1 0 316.449 2.373 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c(O)c1 ZINC000896241108 638431587 /nfs/dbraw/zinc/43/15/87/638431587.db2.gz VJQJQQZUVDLZJA-CYBMUJFWSA-N 1 0 303.362 2.472 20 10 DECDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896380138 638504360 /nfs/dbraw/zinc/50/43/60/638504360.db2.gz GZENOAFPCCLAPF-SECBINFHSA-N 1 0 301.745 2.380 20 10 DECDRO CCC(=O)N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748066992 638505965 /nfs/dbraw/zinc/50/59/65/638505965.db2.gz NCKQEQKRLFDMCV-UHFFFAOYSA-N 1 0 313.401 2.385 20 10 DECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(C)cc(OC)c3O)C[C@@H]21 ZINC000896444183 638526004 /nfs/dbraw/zinc/52/60/04/638526004.db2.gz HHLYXRKJZQHREM-IJEWVQPXSA-N 1 0 319.401 2.340 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000748439457 638556150 /nfs/dbraw/zinc/55/61/50/638556150.db2.gz TVTKBHKCANVWLL-MRXNPFEDSA-N 1 0 315.461 2.490 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000896908962 639062182 /nfs/dbraw/zinc/06/21/82/639062182.db2.gz MNERXSDHQIDEKN-UHFFFAOYSA-N 1 0 313.781 2.297 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1O ZINC000751154454 639062198 /nfs/dbraw/zinc/06/21/98/639062198.db2.gz VGKLKGDWMBGFHJ-OAQYLSRUSA-N 1 0 305.399 2.428 20 10 DECDRO COC(=O)c1cnc(CC[NH2+]Cc2c(C)cccc2O)s1 ZINC000896929368 639084393 /nfs/dbraw/zinc/08/43/93/639084393.db2.gz CKWOEYLARJQTFN-UHFFFAOYSA-N 1 0 306.387 2.276 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CCCNc2ncccn2)c1 ZINC000751505480 639088236 /nfs/dbraw/zinc/08/82/36/639088236.db2.gz GLJBSRDBVODOHB-UHFFFAOYSA-N 1 0 302.378 2.173 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000897017545 639128137 /nfs/dbraw/zinc/12/81/37/639128137.db2.gz ANIOQINPVIFLGK-QGZVFWFLSA-N 1 0 317.433 2.381 20 10 DECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756355059 639653025 /nfs/dbraw/zinc/65/30/25/639653025.db2.gz GUIMGQIZORFVBB-RKDXNWHRSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cnn(C)c2)c2c1c(F)ccc2O ZINC000756775004 639693644 /nfs/dbraw/zinc/69/36/44/639693644.db2.gz GHRCTEGWCSTKDT-OASPWFOLSA-N 1 0 305.353 2.136 20 10 DECDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)nc1 ZINC000839539102 639752355 /nfs/dbraw/zinc/75/23/55/639752355.db2.gz JGSKGVGMDFPPSJ-LLVKDONJSA-N 1 0 316.357 2.433 20 10 DECDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654600 650530320 /nfs/dbraw/zinc/53/03/20/650530320.db2.gz NYKOFHQOPQBFBL-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759566455 640084887 /nfs/dbraw/zinc/08/48/87/640084887.db2.gz CNWACVMQHQRSGL-LLVKDONJSA-N 1 0 314.480 2.019 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000841719105 650551415 /nfs/dbraw/zinc/55/14/15/650551415.db2.gz DPIQDUQIBJSESC-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000841719125 650551436 /nfs/dbraw/zinc/55/14/36/650551436.db2.gz YVZSJJQBABEXKC-JKSUJKDBSA-N 1 0 318.465 2.459 20 10 DECDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000841758818 650558463 /nfs/dbraw/zinc/55/84/63/650558463.db2.gz DFPCAMUBBPLZFJ-UKRRQHHQSA-N 1 0 322.428 2.161 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)C[NH3+])cc1F ZINC000841799113 650567805 /nfs/dbraw/zinc/56/78/05/650567805.db2.gz PIMPVNXSSLHPJG-GFCCVEGCSA-N 1 0 310.417 2.161 20 10 DECDRO CCn1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000761222629 640288086 /nfs/dbraw/zinc/28/80/86/640288086.db2.gz KTUUZUZEKDNPDY-UHFFFAOYSA-N 1 0 302.422 2.480 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841823851 650570961 /nfs/dbraw/zinc/57/09/61/650570961.db2.gz HYOCESSMSXAYNY-OAHLLOKOSA-N 1 0 304.438 2.002 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841824148 650571156 /nfs/dbraw/zinc/57/11/56/650571156.db2.gz LJXQWXYOQZGYKW-AWEZNQCLSA-N 1 0 306.454 2.378 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)cc1F ZINC000841797928 650566703 /nfs/dbraw/zinc/56/67/03/650566703.db2.gz CURSJYNBMWCHMO-OAHLLOKOSA-N 1 0 324.444 2.454 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)C[NH3+])cc1F ZINC000841799114 650567392 /nfs/dbraw/zinc/56/73/92/650567392.db2.gz PIMPVNXSSLHPJG-LBPRGKRZSA-N 1 0 310.417 2.161 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841827511 650572966 /nfs/dbraw/zinc/57/29/66/650572966.db2.gz NLUJTFLUVZXVBK-HNNXBMFYSA-N 1 0 304.438 2.002 20 10 DECDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000841831185 650574724 /nfs/dbraw/zinc/57/47/24/650574724.db2.gz CTVOUUQSKRYCDJ-INIZCTEOSA-N 1 0 314.433 2.004 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841856166 650581662 /nfs/dbraw/zinc/58/16/62/650581662.db2.gz PLGLACNHCSYSOX-MRXNPFEDSA-N 1 0 318.465 2.088 20 10 DECDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cc(Cl)ccc1O ZINC000897514383 640525060 /nfs/dbraw/zinc/52/50/60/640525060.db2.gz PHEPAKFKMBSAFS-NSHDSACASA-N 1 0 311.813 2.329 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880537 650591290 /nfs/dbraw/zinc/59/12/90/650591290.db2.gz BYYLRMVDUWRENA-UMVBOHGHSA-N 1 0 304.438 2.253 20 10 DECDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882670 650592104 /nfs/dbraw/zinc/59/21/04/650592104.db2.gz MHHFAYLRFGZMHY-ZIAGYGMSSA-N 1 0 304.438 2.112 20 10 DECDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882992 650592134 /nfs/dbraw/zinc/59/21/34/650592134.db2.gz QLANDZCUTJBEID-IPYPFGDCSA-N 1 0 304.438 2.192 20 10 DECDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882032 650592137 /nfs/dbraw/zinc/59/21/37/650592137.db2.gz GSMQOEGCXQWUMM-XJKSGUPXSA-N 1 0 304.438 2.207 20 10 DECDRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841884235 650593629 /nfs/dbraw/zinc/59/36/29/650593629.db2.gz YYQUNEWVLDPSIA-LSDHHAIUSA-N 1 0 318.465 2.455 20 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CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000775498153 642052755 /nfs/dbraw/zinc/05/27/55/642052755.db2.gz XXVTUXNQTQBIRW-ZDUSSCGKSA-N 1 0 314.451 2.151 20 10 DECDRO CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775518343 642054717 /nfs/dbraw/zinc/05/47/17/642054717.db2.gz FFGSTYFBXHPHRD-LBPRGKRZSA-N 1 0 320.842 2.026 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC000775656371 642074132 /nfs/dbraw/zinc/07/41/32/642074132.db2.gz RWWUDYZNWVYJSP-UHFFFAOYSA-N 1 0 320.433 2.480 20 10 DECDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775986920 642120194 /nfs/dbraw/zinc/12/01/94/642120194.db2.gz SQWAGVFQJIKJCB-HUUCEWRRSA-N 1 0 321.440 2.187 20 10 DECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924761837 642141555 /nfs/dbraw/zinc/14/15/55/642141555.db2.gz WYOBIXZICHSUQP-KDOFPFPSSA-N 1 0 304.434 2.020 20 10 DECDRO CC(C)NC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899723639 642149796 /nfs/dbraw/zinc/14/97/96/642149796.db2.gz CJHGYBUQGSEUOG-OAHLLOKOSA-N 1 0 308.495 2.228 20 10 DECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000776485454 642176852 /nfs/dbraw/zinc/17/68/52/642176852.db2.gz RKXIJHSDLRVMQJ-HUUCEWRRSA-N 1 0 311.353 2.018 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1ccccc1O ZINC000776866669 642214336 /nfs/dbraw/zinc/21/43/36/642214336.db2.gz GKNAXSHHHUREIU-ZMSDIMECSA-N 1 0 309.406 2.253 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C ZINC000779517931 642506970 /nfs/dbraw/zinc/50/69/70/642506970.db2.gz AILPMKOERRCBDJ-BZDCKHMYSA-N 1 0 318.417 2.442 20 10 DECDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892577 642685357 /nfs/dbraw/zinc/68/53/57/642685357.db2.gz MBWHWBSUAMFPHE-GOEBONIOSA-N 1 0 322.424 2.255 20 10 DECDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000780892578 642685777 /nfs/dbraw/zinc/68/57/77/642685777.db2.gz MBWHWBSUAMFPHE-HOCLYGCPSA-N 1 0 322.424 2.255 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000781527155 642762898 /nfs/dbraw/zinc/76/28/98/642762898.db2.gz KXMOTHNBUGGFCE-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000783729405 643043647 /nfs/dbraw/zinc/04/36/47/643043647.db2.gz YGVGDTZYIUANFA-INIZCTEOSA-N 1 0 307.413 2.238 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000842711144 650809174 /nfs/dbraw/zinc/80/91/74/650809174.db2.gz ZJGVPUDTXCJDDO-YPMHNXCESA-N 1 0 312.360 2.068 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026659 643230287 /nfs/dbraw/zinc/23/02/87/643230287.db2.gz RDZCZLSGOHGFDD-KBPBESRZSA-N 1 0 315.421 2.001 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)C2CCCC2)cc1 ZINC000842786203 650825399 /nfs/dbraw/zinc/82/53/99/650825399.db2.gz UWUWKWZITBPYND-MRXNPFEDSA-N 1 0 304.438 2.336 20 10 DECDRO Cc1nonc1[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903448599 643354846 /nfs/dbraw/zinc/35/48/46/643354846.db2.gz QRSLQZSPQZTYCP-BLLLJJGKSA-N 1 0 317.437 2.398 20 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HWHUHRIUTUQMEW-UHFFFAOYSA-N 1 0 310.369 2.230 20 10 DECDRO [NH3+]C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843048422 650877159 /nfs/dbraw/zinc/87/71/59/650877159.db2.gz SKYZITWMFBLWPW-HNNXBMFYSA-N 1 0 318.421 2.366 20 10 DECDRO C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C[NH3+] ZINC000843052882 650878538 /nfs/dbraw/zinc/87/85/38/650878538.db2.gz XNXZHEMWBXXVMN-KDOFPFPSSA-N 1 0 321.440 2.222 20 10 DECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000905693067 644015948 /nfs/dbraw/zinc/01/59/48/644015948.db2.gz HOFMVJVNUQZGSH-CYBMUJFWSA-N 1 0 300.358 2.135 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123886 650900391 /nfs/dbraw/zinc/90/03/91/650900391.db2.gz RHCXDNJTNNFVQU-LBPRGKRZSA-N 1 0 309.366 2.012 20 10 DECDRO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C)cc1O ZINC000794798488 644478141 /nfs/dbraw/zinc/47/81/41/644478141.db2.gz UZQGZYKQHIMBMB-AWEZNQCLSA-N 1 0 314.451 2.023 20 10 DECDRO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000796275513 644710584 /nfs/dbraw/zinc/71/05/84/644710584.db2.gz AESVQYPGLIFSBV-HNNXBMFYSA-N 1 0 314.433 2.416 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000843299437 650944834 /nfs/dbraw/zinc/94/48/34/650944834.db2.gz UISNOKXRLIEANW-NEPJUHHUSA-N 1 0 316.232 2.062 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843343860 650953547 /nfs/dbraw/zinc/95/35/47/650953547.db2.gz IJTUOKOJBFXUMY-GFCCVEGCSA-N 1 0 314.385 2.488 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(Cl)c1 ZINC000843434499 650974688 /nfs/dbraw/zinc/97/46/88/650974688.db2.gz YHSNDWFSDNAJNR-MFKMUULPSA-N 1 0 310.781 2.284 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH2+]CC1CC1 ZINC000843486018 650982625 /nfs/dbraw/zinc/98/26/25/650982625.db2.gz OUYUZPQJOGVXAS-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000843488187 650983419 /nfs/dbraw/zinc/98/34/19/650983419.db2.gz TYJWZHZKQXWWBT-SJLPKXTDSA-N 1 0 301.434 2.101 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(O)c1 ZINC000799734962 645215249 /nfs/dbraw/zinc/21/52/49/645215249.db2.gz HNMLQAUORGFBBV-UHFFFAOYSA-N 1 0 301.268 2.433 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000799739614 645215988 /nfs/dbraw/zinc/21/59/88/645215988.db2.gz MJPUDIPHQBTHKQ-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(F)ccc1O ZINC000806173047 645806207 /nfs/dbraw/zinc/80/62/07/645806207.db2.gz DPGGUTTUMZIHBI-MNOVXSKESA-N 1 0 301.383 2.007 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000840137073 646079784 /nfs/dbraw/zinc/07/97/84/646079784.db2.gz YKKSTEYFOIHZIB-KRWDZBQOSA-N 1 0 323.458 2.410 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)ccc1O ZINC000808436780 646084546 /nfs/dbraw/zinc/08/45/46/646084546.db2.gz CVIJSGRRFKJTOK-NSHDSACASA-N 1 0 302.827 2.003 20 10 DECDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000111416857 646424235 /nfs/dbraw/zinc/42/42/35/646424235.db2.gz PDKYHZMFVZLDIM-ZDUSSCGKSA-N 1 0 311.813 2.281 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000164480181 646447908 /nfs/dbraw/zinc/44/79/08/646447908.db2.gz JVJBIMPBFKPHFF-HOCLYGCPSA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000164597183 646452859 /nfs/dbraw/zinc/45/28/59/646452859.db2.gz KJJFRWWBAVSWCP-CQSZACIVSA-N 1 0 316.405 2.213 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000811931005 646593534 /nfs/dbraw/zinc/59/35/34/646593534.db2.gz OVDBQFLUKVDVLR-STQMWFEESA-N 1 0 323.437 2.490 20 10 DECDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCO1 ZINC000172921470 646754255 /nfs/dbraw/zinc/75/42/55/646754255.db2.gz AAKCWRPAHTVPDO-OAHLLOKOSA-N 1 0 317.385 2.401 20 10 DECDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c[nH]1 ZINC000813331667 646757756 /nfs/dbraw/zinc/75/77/56/646757756.db2.gz QUNHUTVDXFUJKE-JTQLQIEISA-N 1 0 304.346 2.366 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C ZINC000813861051 646816104 /nfs/dbraw/zinc/81/61/04/646816104.db2.gz NTQMQHMYLHDQRS-CPUCHLNUSA-N 1 0 322.474 2.056 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)ccc1N(C)C ZINC000815079713 646963990 /nfs/dbraw/zinc/96/39/90/646963990.db2.gz UEHAMHURKDGCOI-INIZCTEOSA-N 1 0 301.434 2.258 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000815094434 646967165 /nfs/dbraw/zinc/96/71/65/646967165.db2.gz AUMXKCIHIXOOBB-JKSUJKDBSA-N 1 0 305.466 2.030 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1N(C)C ZINC000815099850 646968700 /nfs/dbraw/zinc/96/87/00/646968700.db2.gz GGZMPQXXOGGDNE-UXLLHSPISA-N 1 0 301.434 2.147 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1N(C)C ZINC000815110568 646971325 /nfs/dbraw/zinc/97/13/25/646971325.db2.gz XHMCFLOWIKRQKL-INIZCTEOSA-N 1 0 324.490 2.460 20 10 DECDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2c(O)cccc2F)C1 ZINC000914075603 647145969 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CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000817943562 647389858 /nfs/dbraw/zinc/38/98/58/647389858.db2.gz VLQTUABSEQJFGU-SJORKVTESA-N 1 0 313.449 2.153 20 10 DECDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)c(F)cc1[O-] ZINC000817977661 647398830 /nfs/dbraw/zinc/39/88/30/647398830.db2.gz NNBMZCYHXSDSOW-HEXRFXHZSA-N 1 0 315.186 2.162 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cncn3C)C2)cc1 ZINC000818221337 647435895 /nfs/dbraw/zinc/43/58/95/647435895.db2.gz QXBSZOQWTMAXFS-AWEZNQCLSA-N 1 0 300.406 2.045 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CN(C)C[C@@H]3C)C2)cc1 ZINC000818221481 647436210 /nfs/dbraw/zinc/43/62/10/647436210.db2.gz NHCWGNQDHZPLOD-DAYGRLMNSA-N 1 0 303.450 2.061 20 10 DECDRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000818233993 647437881 /nfs/dbraw/zinc/43/78/81/647437881.db2.gz RWPBZLRNXCYNNA-MRXNPFEDSA-N 1 0 324.380 2.296 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000818348915 647457184 /nfs/dbraw/zinc/45/71/84/647457184.db2.gz BCBWATKSDCVXGK-ZYHUDNBSSA-N 1 0 315.410 2.494 20 10 DECDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc2c(cc1O)CCCC2 ZINC000818362004 647458045 /nfs/dbraw/zinc/45/80/45/647458045.db2.gz NLNHCLNIPKETEV-NHYWBVRUSA-N 1 0 316.401 2.069 20 10 DECDRO CCOCCN1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000732179805 647547530 /nfs/dbraw/zinc/54/75/30/647547530.db2.gz GCTOBBOBSCICCB-UHFFFAOYSA-N 1 0 315.417 2.095 20 10 DECDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964485 647550981 /nfs/dbraw/zinc/55/09/81/647550981.db2.gz XSDQUGNJLVZSKM-KRWDZBQOSA-N 1 0 324.490 2.117 20 10 DECDRO CC(C)CC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818973267 647553418 /nfs/dbraw/zinc/55/34/18/647553418.db2.gz OMLPKRKHPCYKPT-SFHVURJKSA-N 1 0 306.450 2.410 20 10 DECDRO C[NH+]1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732264029 647554926 /nfs/dbraw/zinc/55/49/26/647554926.db2.gz ZAFHVGWIVVHCRP-UHFFFAOYSA-N 1 0 317.414 2.458 20 10 DECDRO C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819121675 647587108 /nfs/dbraw/zinc/58/71/08/647587108.db2.gz YBUNBALSILCRAK-RYUDHWBXSA-N 1 0 300.349 2.227 20 10 DECDRO C/C(Cl)=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838699 648109963 /nfs/dbraw/zinc/10/99/63/648109963.db2.gz MEHIENRSOIPRQP-QBFSEMIESA-N 1 0 307.825 2.197 20 10 DECDRO CN(Cc1ccccc1O)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000824125054 648531802 /nfs/dbraw/zinc/53/18/02/648531802.db2.gz BKUVTINGGMNDJS-LJQANCHMSA-N 1 0 310.397 2.282 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1Cl ZINC000824601061 648620536 /nfs/dbraw/zinc/62/05/36/648620536.db2.gz GQMYKZUFUQYCLB-ZDUSSCGKSA-N 1 0 323.824 2.344 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000824710187 648640251 /nfs/dbraw/zinc/64/02/51/648640251.db2.gz TZNUSQFVLAMROE-CVEARBPZSA-N 1 0 324.852 2.385 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C2)cc1 ZINC000824727465 648644083 /nfs/dbraw/zinc/64/40/83/648644083.db2.gz GBEIKKDIXXSWHC-AWEZNQCLSA-N 1 0 319.449 2.168 20 10 DECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726796 648644099 /nfs/dbraw/zinc/64/40/99/648644099.db2.gz UQROZWAJPJNMRP-GFCCVEGCSA-N 1 0 322.149 2.357 20 10 DECDRO Cc1cc(O)c(CN(C)[C@H](C)CS(C)(=O)=O)cc1Cl ZINC000824809687 648655472 /nfs/dbraw/zinc/65/54/72/648655472.db2.gz YRNWPJLUGUHIIN-SNVBAGLBSA-N 1 0 305.827 2.219 20 10 DECDRO Oc1cc(Br)ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000824824289 648658496 /nfs/dbraw/zinc/65/84/96/648658496.db2.gz JCBTVKJCWHWODO-GXFFZTMASA-N 1 0 311.223 2.339 20 10 DECDRO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1O ZINC000824943023 648676061 /nfs/dbraw/zinc/67/60/61/648676061.db2.gz GHWRUULBRUZUCG-ZANVPECISA-N 1 0 300.196 2.357 20 10 DECDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000825068465 648696788 /nfs/dbraw/zinc/69/67/88/648696788.db2.gz PZJTXQJJEOHFPK-SECBINFHSA-N 1 0 315.211 2.077 20 10 DECDRO COC[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825158636 648714707 /nfs/dbraw/zinc/71/47/07/648714707.db2.gz UATYNUZMDZEEKH-GOSISDBHSA-N 1 0 301.386 2.376 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000825325364 648741900 /nfs/dbraw/zinc/74/19/00/648741900.db2.gz BNZIMOXHVIURJA-WBVHZDCISA-N 1 0 314.433 2.496 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](CCO)C[C@H]2C)cc1 ZINC000825337642 648745187 /nfs/dbraw/zinc/74/51/87/648745187.db2.gz HSBMVLZZKWQZPU-MRXNPFEDSA-N 1 0 305.466 2.031 20 10 DECDRO COc1ccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000825752560 648808971 /nfs/dbraw/zinc/80/89/71/648808971.db2.gz DYLAYOYKPKOJMC-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(OC)c1O ZINC000825916679 648826475 /nfs/dbraw/zinc/82/64/75/648826475.db2.gz SSYPRCXXLFRQPW-HNNXBMFYSA-N 1 0 309.406 2.322 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725227 649075447 /nfs/dbraw/zinc/07/54/47/649075447.db2.gz CLDPKZVOGOWDFI-KBXCAEBGSA-N 1 0 319.449 2.218 20 10 DECDRO CNC(=O)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000827862610 649096361 /nfs/dbraw/zinc/09/63/61/649096361.db2.gz LDOFLCDLQDLLJS-UHFFFAOYSA-N 1 0 323.440 2.427 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2nccn2C)CC1 ZINC000827885372 649099294 /nfs/dbraw/zinc/09/92/94/649099294.db2.gz ZBWXYRBFQZKFKB-UHFFFAOYSA-N 1 0 313.449 2.117 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000828667853 649207909 /nfs/dbraw/zinc/20/79/09/649207909.db2.gz VDHNHUSWQOKNAU-LLVKDONJSA-N 1 0 312.369 2.495 20 10 DECDRO O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829004025 649258038 /nfs/dbraw/zinc/25/80/38/649258038.db2.gz XYWNYANSXQUZBD-JKSUJKDBSA-N 1 0 318.417 2.042 20 10 DECDRO OCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000184502147 649287945 /nfs/dbraw/zinc/28/79/45/649287945.db2.gz FANVEOJIDJAIBL-KRWDZBQOSA-N 1 0 316.401 2.330 20 10 DECDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000830597388 649465931 /nfs/dbraw/zinc/46/59/31/649465931.db2.gz GPCSEYZNPARXRR-ZDUSSCGKSA-N 1 0 302.418 2.277 20 10 DECDRO c1cc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc2c1OCC2 ZINC000733329342 649544013 /nfs/dbraw/zinc/54/40/13/649544013.db2.gz QOYKEHVSUSEXGD-GOSISDBHSA-N 1 0 316.445 2.355 20 10 DECDRO CCN(C)c1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000831804315 649645419 /nfs/dbraw/zinc/64/54/19/649645419.db2.gz FFCMYJJZFKQQED-IYBDPMFKSA-N 1 0 305.466 2.030 20 10 DECDRO CC(C)c1ocnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274757 649691371 /nfs/dbraw/zinc/69/13/71/649691371.db2.gz XSPTXHVMXCHQOV-AWEZNQCLSA-N 1 0 316.405 2.294 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1 ZINC000832550304 649723657 /nfs/dbraw/zinc/72/36/57/649723657.db2.gz OJHDAZORDAMIQT-INIZCTEOSA-N 1 0 318.465 2.378 20 10 DECDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834668391 649828431 /nfs/dbraw/zinc/82/84/31/649828431.db2.gz LHIQLXHZGSBDJG-MJBXVCDLSA-N 1 0 309.431 2.325 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000844162296 651084804 /nfs/dbraw/zinc/08/48/04/651084804.db2.gz BVNSXSFIWVGZPA-IYBDPMFKSA-N 1 0 301.434 2.373 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844172687 651086071 /nfs/dbraw/zinc/08/60/71/651086071.db2.gz GHRJFDDIPOBFBI-HNNXBMFYSA-N 1 0 323.387 2.148 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)ccc21 ZINC000844177888 651086961 /nfs/dbraw/zinc/08/69/61/651086961.db2.gz RDQFLHLDGOOFQF-KRWDZBQOSA-N 1 0 315.461 2.463 20 10 DECDRO Cc1cc(C(=O)NCCC[NH2+]C2CC2)c(C)n1-c1ccccn1 ZINC000844200600 651090795 /nfs/dbraw/zinc/09/07/95/651090795.db2.gz VTDRDSCDHFHMQZ-UHFFFAOYSA-N 1 0 312.417 2.361 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901142 651180615 /nfs/dbraw/zinc/18/06/15/651180615.db2.gz FLDSJNHNLJGQLT-AAEUAGOBSA-N 1 0 323.393 2.258 20 10 DECDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000121567847 651242859 /nfs/dbraw/zinc/24/28/59/651242859.db2.gz BWVAHKVHXOHDTK-QGZVFWFLSA-N 1 0 318.465 2.234 20 10 DECDRO COCCCn1nccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845972697 651298763 /nfs/dbraw/zinc/29/87/63/651298763.db2.gz SSSXJAQBZFQHFL-CYBMUJFWSA-N 1 0 319.405 2.485 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000846074390 651306626 /nfs/dbraw/zinc/30/66/26/651306626.db2.gz XADINKWJEPSCAR-CWDCEQMOSA-N 1 0 313.445 2.366 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000846108113 651307983 /nfs/dbraw/zinc/30/79/83/651307983.db2.gz NWGPCRSPIDEKJX-CQSZACIVSA-N 1 0 314.385 2.267 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@]2(O)CCCOC2)cc1 ZINC000846106965 651308147 /nfs/dbraw/zinc/30/81/47/651308147.db2.gz MPNWSVOSSWEAPQ-YWPBOTNQSA-N 1 0 304.434 2.287 20 10 DECDRO Fc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1N1CCOCC1 ZINC000846113623 651308662 /nfs/dbraw/zinc/30/86/62/651308662.db2.gz ZSOLBBXMHUBPSM-BETUJISGSA-N 1 0 312.335 2.359 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1O ZINC000846137009 651310401 /nfs/dbraw/zinc/31/04/01/651310401.db2.gz PYGGTKXABZUATN-ZBFHGGJFSA-N 1 0 322.449 2.408 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000846166594 651312576 /nfs/dbraw/zinc/31/25/76/651312576.db2.gz AKTKLZRICIYFJL-ZOWXZIJZSA-N 1 0 311.422 2.209 20 10 DECDRO COCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCOCC1 ZINC000846169615 651312580 /nfs/dbraw/zinc/31/25/80/651312580.db2.gz IMHGMCJHRWNUOC-CYBMUJFWSA-N 1 0 309.406 2.495 20 10 DECDRO COc1ccc(N2CC[NH+](CCOC(C)C)CC2)c(OC)c1 ZINC000846750101 651349015 /nfs/dbraw/zinc/34/90/15/651349015.db2.gz MHAALOKYCZTZPF-UHFFFAOYSA-N 1 0 308.422 2.251 20 10 DECDRO CC[N@H+](C)C[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000846826099 651354959 /nfs/dbraw/zinc/35/49/59/651354959.db2.gz ZHWXTXNGAJLAFU-MRXNPFEDSA-N 1 0 318.417 2.300 20 10 DECDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000848559303 651470596 /nfs/dbraw/zinc/47/05/96/651470596.db2.gz RYAKVEBQGPIFGZ-NOZJJQNGSA-N 1 0 318.211 2.203 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c1O ZINC000848561586 651471161 /nfs/dbraw/zinc/47/11/61/651471161.db2.gz ZRIFMONUIVLROH-OAHLLOKOSA-N 1 0 312.369 2.444 20 10 DECDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000854738673 651547888 /nfs/dbraw/zinc/54/78/88/651547888.db2.gz NNZHSJGHWNFIFQ-SUZKBHRPSA-N 1 0 316.401 2.055 20 10 DECDRO CCCCNC(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849043862 651593676 /nfs/dbraw/zinc/59/36/76/651593676.db2.gz KNVPOABFVNWCQB-CQSZACIVSA-N 1 0 304.438 2.436 20 10 DECDRO COc1cc(C[NH2+]CCN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850006113 651800577 /nfs/dbraw/zinc/80/05/77/651800577.db2.gz MMKPRVWJJXULLI-UHFFFAOYSA-N 1 0 322.449 2.120 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)ccc1OC ZINC000850344818 651904790 /nfs/dbraw/zinc/90/47/90/651904790.db2.gz XNXHOKTWXQMQMJ-CRAIPNDOSA-N 1 0 323.433 2.373 20 10 DECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850382940 651916698 /nfs/dbraw/zinc/91/66/98/651916698.db2.gz COXXWUUTHAUSTR-GOEBONIOSA-N 1 0 308.397 2.177 20 10 DECDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406794 651922985 /nfs/dbraw/zinc/92/29/85/651922985.db2.gz UFVJOWNBVAIBIO-UHFFFAOYSA-N 1 0 301.390 2.234 20 10 DECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567863 651953502 /nfs/dbraw/zinc/95/35/02/651953502.db2.gz LBCWWBYLWDKUBF-KDOFPFPSSA-N 1 0 304.434 2.162 20 10 DECDRO O=C1N(CC[NH2+][C@H]2CCc3cccc(O)c32)C[C@@H]2CCCCN12 ZINC000850560369 651953761 /nfs/dbraw/zinc/95/37/61/651953761.db2.gz DPOFWDPIJZGCTM-GJZGRUSLSA-N 1 0 315.417 2.259 20 10 DECDRO COc1ccc(O)c(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000114587557 651974600 /nfs/dbraw/zinc/97/46/00/651974600.db2.gz GCZGWQWSCNBLOP-CYBMUJFWSA-N 1 0 321.421 2.074 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c1O ZINC000857064198 652044548 /nfs/dbraw/zinc/04/45/48/652044548.db2.gz XOOQQVYYDADMQR-SFHVURJKSA-N 1 0 315.417 2.380 20 10 DECDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000851656950 652200183 /nfs/dbraw/zinc/20/01/83/652200183.db2.gz UHFDQLVVYMDEAP-HNNXBMFYSA-N 1 0 318.465 2.330 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676562 652204893 /nfs/dbraw/zinc/20/48/93/652204893.db2.gz FBFYEXNZQAKGCQ-UHFFFAOYSA-N 1 0 303.406 2.066 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C[NH2+]C)cc1 ZINC000851681629 652205818 /nfs/dbraw/zinc/20/58/18/652205818.db2.gz PYGAHSZZOKMDOF-AWEZNQCLSA-N 1 0 306.454 2.282 20 10 DECDRO COC[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000851841856 652256411 /nfs/dbraw/zinc/25/64/11/652256411.db2.gz YNHYPHVZYFHDOE-HOTGVXAUSA-N 1 0 309.406 2.035 20 10 DECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858154716 652268189 /nfs/dbraw/zinc/26/81/89/652268189.db2.gz PMAXJWMXRPXNFO-FZMZJTMJSA-N 1 0 311.376 2.035 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1F ZINC000858228013 652284497 /nfs/dbraw/zinc/28/44/97/652284497.db2.gz XGVZHGYZSMLCMK-IRXDYDNUSA-N 1 0 310.413 2.301 20 10 DECDRO CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853247722 652529646 /nfs/dbraw/zinc/52/96/46/652529646.db2.gz YTMCULUELVQYCR-LLVKDONJSA-N 1 0 301.774 2.417 20 10 DECDRO COc1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c(O)cc1C ZINC000853519090 652561036 /nfs/dbraw/zinc/56/10/36/652561036.db2.gz BQLJTKXAIOVGHO-UHFFFAOYSA-N 1 0 302.374 2.079 20 10 DECDRO CC(C)(O)C1C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862389845 686290295 /nfs/dbraw/zinc/29/02/95/686290295.db2.gz PNIGPOONAHRXSC-UHFFFAOYSA-N 1 0 300.196 2.357 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1O ZINC000384644136 685412210 /nfs/dbraw/zinc/41/22/10/685412210.db2.gz SZQUDBQQOWCDJY-FICVDOATSA-N 1 0 308.809 2.240 20 10 DECDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1cc(Cl)ccc1O ZINC000858587153 685563283 /nfs/dbraw/zinc/56/32/83/685563283.db2.gz IYUYJBUCZNMKHN-SKDRFNHKSA-N 1 0 300.786 2.495 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CCCCCO)c1O ZINC000076276069 683941904 /nfs/dbraw/zinc/94/19/04/683941904.db2.gz QXVJOXTWIHFWLI-UHFFFAOYSA-N 1 0 318.211 2.416 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000093278710 684048733 /nfs/dbraw/zinc/04/87/33/684048733.db2.gz MGHKDXIGFBEMET-HNNXBMFYSA-N 1 0 318.417 2.378 20 10 DECDRO Oc1ccc(Cl)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817634 684051691 /nfs/dbraw/zinc/05/16/91/684051691.db2.gz YVMYPTDQAYTDQQ-CYBMUJFWSA-N 1 0 310.825 2.200 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCC[S@@](C)=O)CC2)cc1 ZINC000126867383 684157632 /nfs/dbraw/zinc/15/76/32/684157632.db2.gz SLVMLFMJENJUSY-NRFANRHFSA-N 1 0 310.463 2.022 20 10 DECDRO CCOC(=O)/C=C\C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185650 693912914 /nfs/dbraw/zinc/91/29/14/693912914.db2.gz QNOKZCRLJPODAO-PLNGDYQASA-N 1 0 318.417 2.074 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(OC)C2=O)cc1 ZINC000929185177 693913055 /nfs/dbraw/zinc/91/30/55/693913055.db2.gz PBDQGGLSPZJGAZ-MRXNPFEDSA-N 1 0 305.422 2.127 20 10 DECDRO CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC000861892664 686200638 /nfs/dbraw/zinc/20/06/38/686200638.db2.gz NOYVFBLONVWJGT-FNORWQNLSA-N 1 0 304.390 2.054 20 10 DECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862227762 686259901 /nfs/dbraw/zinc/25/99/01/686259901.db2.gz HNZOEURYPIARGQ-JTQLQIEISA-N 1 0 300.349 2.272 20 10 DECDRO CC[N@H+](CCC(=O)OC)Cc1cc(F)c(N(C)C)cc1F ZINC000862231505 686260635 /nfs/dbraw/zinc/26/06/35/686260635.db2.gz IQCZJJHJEXAGTH-UHFFFAOYSA-N 1 0 300.349 2.416 20 10 DECDRO CN(C)c1cc(F)c(C[N@H+](C)CCc2cnccn2)cc1F ZINC000862302811 686275393 /nfs/dbraw/zinc/27/53/93/686275393.db2.gz BVOYAWMMHDGLBR-UHFFFAOYSA-N 1 0 306.360 2.495 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1 ZINC000862433597 686302105 /nfs/dbraw/zinc/30/21/05/686302105.db2.gz YPOCWLWURORLEM-QGZVFWFLSA-N 1 0 303.358 2.104 20 10 DECDRO O=C1OC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC000862545572 686318015 /nfs/dbraw/zinc/31/80/15/686318015.db2.gz XLBAMSVWIRDLKO-RDJZCZTQSA-N 1 0 300.402 2.282 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000863543735 686517976 /nfs/dbraw/zinc/51/79/76/686517976.db2.gz XBBKQZRYDIVFII-RRQGHBQHSA-N 1 0 321.440 2.453 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(N2CCCCC2)cc1 ZINC000863545521 686519276 /nfs/dbraw/zinc/51/92/76/686519276.db2.gz ULLCTAURAIYNRO-RDJZCZTQSA-N 1 0 303.450 2.316 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(=O)[nH]c3)C2)cc1 ZINC000865608429 687275823 /nfs/dbraw/zinc/27/58/23/687275823.db2.gz JCBHXHFIXBRWKP-OAHLLOKOSA-N 1 0 313.401 2.412 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(C)c(C)cc2O)on1 ZINC000865765174 687327257 /nfs/dbraw/zinc/32/72/57/687327257.db2.gz ZKWGTVRARJDGAU-UHFFFAOYSA-N 1 0 304.346 2.464 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)CC2 ZINC000866437072 687572643 /nfs/dbraw/zinc/57/26/43/687572643.db2.gz XVCPYNQKAXZWHL-CMPLNLGQSA-N 1 0 312.295 2.364 20 10 DECDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1O ZINC000868098016 687909835 /nfs/dbraw/zinc/90/98/35/687909835.db2.gz RWPCEIFTMSHNDU-KGLIPLIRSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)C[NH+]1CCCC1 ZINC000868357819 687989436 /nfs/dbraw/zinc/98/94/36/687989436.db2.gz HKJLIGSTHQSUCS-ZIAGYGMSSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383835 687997304 /nfs/dbraw/zinc/99/73/04/687997304.db2.gz YREPPPJOYQKOOU-AGIUHOORSA-N 1 0 303.406 2.378 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870882010 688677758 /nfs/dbraw/zinc/67/77/58/688677758.db2.gz RKXNBZMEZRGFQY-DLGFLZQMSA-N 1 0 304.390 2.110 20 10 DECDRO C[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1O ZINC000870988523 688704591 /nfs/dbraw/zinc/70/45/91/688704591.db2.gz RJZXXULQXPLMTJ-TZMCWYRMSA-N 1 0 314.389 2.004 20 10 DECDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)c2ccccc2O)C1(C)C ZINC000870988720 688704624 /nfs/dbraw/zinc/70/46/24/688704624.db2.gz XUJGFGZDDDFKJU-HYSWKAIVSA-N 1 0 306.406 2.102 20 10 DECDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CCC1(C)C ZINC000871154119 688736740 /nfs/dbraw/zinc/73/67/40/688736740.db2.gz CMACIZNFVXKUOC-ALCCZGGFSA-N 1 0 304.390 2.054 20 10 DECDRO OC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1C(F)(F)F ZINC000872686576 689065467 /nfs/dbraw/zinc/06/54/67/689065467.db2.gz CWDVXJPYSLWTFT-UONOGXRCSA-N 1 0 315.335 2.484 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@H]3CCCS(=O)(=O)CC3)ccc21 ZINC000873029706 689144416 /nfs/dbraw/zinc/14/44/16/689144416.db2.gz ONSLXBUTJGTAQD-INIZCTEOSA-N 1 0 322.474 2.126 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1Cn1cccn1 ZINC000873050399 689148608 /nfs/dbraw/zinc/14/86/08/689148608.db2.gz VTZRWRYUTOAVIG-IRXDYDNUSA-N 1 0 315.417 2.333 20 10 DECDRO COc1ccc(C[NH2+][C@](C)(CO)C2CC2)cc1Cn1cccn1 ZINC000873074536 689154789 /nfs/dbraw/zinc/15/47/89/689154789.db2.gz MVIVZMQZEFKPHQ-GOSISDBHSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1Cn1cccn1 ZINC000873133672 689166530 /nfs/dbraw/zinc/16/65/30/689166530.db2.gz GEGBIWGIBHYCLP-KRWDZBQOSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1Cn1cccn1 ZINC000873134727 689167188 /nfs/dbraw/zinc/16/71/88/689167188.db2.gz TYRNSYHDWFHWDV-CZUORRHYSA-N 1 0 301.390 2.207 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000873293628 689203683 /nfs/dbraw/zinc/20/36/83/689203683.db2.gz OFMKLBCBEORRNM-TZMCWYRMSA-N 1 0 308.397 2.341 20 10 DECDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874825551 689500524 /nfs/dbraw/zinc/50/05/24/689500524.db2.gz PZVJXPLQDXNALI-KBPBESRZSA-N 1 0 315.377 2.158 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000875094106 689570825 /nfs/dbraw/zinc/57/08/25/689570825.db2.gz YBINRKISBVKZTL-BFHYXJOUSA-N 1 0 303.406 2.379 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000875579164 689653403 /nfs/dbraw/zinc/65/34/03/689653403.db2.gz WKPOGNHUFSAQRQ-HNNXBMFYSA-N 1 0 305.422 2.374 20 10 DECDRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875663575 689670050 /nfs/dbraw/zinc/67/00/50/689670050.db2.gz WLYPGPQLMIUKEJ-ZDUSSCGKSA-N 1 0 303.406 2.149 20 10 DECDRO Cn1cc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000876547680 689853332 /nfs/dbraw/zinc/85/33/32/689853332.db2.gz GUCBPLLXQFPLGB-UHFFFAOYSA-N 1 0 314.433 2.013 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000876557616 689855896 /nfs/dbraw/zinc/85/58/96/689855896.db2.gz BRWRSSLBQGLIDI-UHFFFAOYSA-N 1 0 303.406 2.034 20 10 DECDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1O ZINC000876655111 689890910 /nfs/dbraw/zinc/89/09/10/689890910.db2.gz WPAIFSAMEQCJIC-UHFFFAOYSA-N 1 0 304.350 2.446 20 10 DECDRO C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876721484 689914399 /nfs/dbraw/zinc/91/43/99/689914399.db2.gz PPNCNXOUGXYTBP-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728501 689918174 /nfs/dbraw/zinc/91/81/74/689918174.db2.gz OHHWIRFPJJSIBV-CVEARBPZSA-N 1 0 301.434 2.276 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)CCC2C[NH2+]C2)cc1F ZINC000876755455 689927648 /nfs/dbraw/zinc/92/76/48/689927648.db2.gz KIHZMJSZXMEQON-UHFFFAOYSA-N 1 0 307.413 2.288 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000876879710 689962100 /nfs/dbraw/zinc/96/21/00/689962100.db2.gz VHWMMVFNRFYOPJ-CXMBCZLWSA-N 1 0 304.390 2.110 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)/C=C\[C@H]2CCC[NH2+]C2)c1 ZINC000876879095 689962103 /nfs/dbraw/zinc/96/21/03/689962103.db2.gz NQIQORDHCBPBPU-SDIVBXRLSA-N 1 0 304.390 2.134 20 10 DECDRO CC1(C)[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C[C@@H]1[NH3+] ZINC000876886489 689964252 /nfs/dbraw/zinc/96/42/52/689964252.db2.gz XXUTZSBFQPMVJB-HOCLYGCPSA-N 1 0 302.418 2.261 20 10 DECDRO CNC(=O)COc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876947459 689980421 /nfs/dbraw/zinc/98/04/21/689980421.db2.gz AGLRXVYDAIVPAZ-UHFFFAOYSA-N 1 0 314.385 2.115 20 10 DECDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876949104 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OC1CCN(c2ccc(C[NH+]3CC([C@H]4CCOC4)C3)cc2)CC1 ZINC000877488225 690128962 /nfs/dbraw/zinc/12/89/62/690128962.db2.gz CRUWTSSPVKOCEC-INIZCTEOSA-N 1 0 316.445 2.116 20 10 DECDRO Cc1ccc(C[NH2+]CCn2cc(Br)cn2)c(O)c1 ZINC000877518213 690138335 /nfs/dbraw/zinc/13/83/35/690138335.db2.gz HFTLMPMCGWYQSZ-UHFFFAOYSA-N 1 0 310.195 2.449 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000877532026 690143177 /nfs/dbraw/zinc/14/31/77/690143177.db2.gz BKZHWGRTUQYDIH-AGIUHOORSA-N 1 0 306.406 2.499 20 10 DECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877553366 690149745 /nfs/dbraw/zinc/14/97/45/690149745.db2.gz PFHKEWSYPZNMFB-QGZVFWFLSA-N 1 0 317.477 2.174 20 10 DECDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000877559779 690152338 /nfs/dbraw/zinc/15/23/38/690152338.db2.gz VSJQEKDDAWNKMP-ZDUSSCGKSA-N 1 0 324.421 2.018 20 10 DECDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877578425 690157778 /nfs/dbraw/zinc/15/77/78/690157778.db2.gz 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CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000879571550 690675718 /nfs/dbraw/zinc/67/57/18/690675718.db2.gz BQXPXDKDCDNYGR-LRDDRELGSA-N 1 0 306.381 2.260 20 10 DECDRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649703 690699268 /nfs/dbraw/zinc/69/92/68/690699268.db2.gz CKNLTUQIWWJAGB-SNVBAGLBSA-N 1 0 304.312 2.454 20 10 DECDRO Cc1c[nH]cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849876 691173456 /nfs/dbraw/zinc/17/34/56/691173456.db2.gz LHTYWRPAOPKGQN-UHFFFAOYSA-N 1 0 312.417 2.005 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CC3(F)F)cc2)CC1 ZINC000881853361 691173867 /nfs/dbraw/zinc/17/38/67/691173867.db2.gz TUIJBHVHWWKUEJ-INIZCTEOSA-N 1 0 323.387 2.100 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC(F)F)cc2)CC1 ZINC000881853779 691174618 /nfs/dbraw/zinc/17/46/18/691174618.db2.gz KJEIUQJXVKFGSE-UHFFFAOYSA-N 1 0 311.376 2.100 20 10 DECDRO CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000882879937 691377674 /nfs/dbraw/zinc/37/76/74/691377674.db2.gz UTZLHLHJFRGBPA-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCc3ccns3)cc2)CC1 ZINC000883239289 691464195 /nfs/dbraw/zinc/46/41/95/691464195.db2.gz BSRZRFFSGQAAEG-UHFFFAOYSA-N 1 0 317.458 2.437 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000883283597 691471856 /nfs/dbraw/zinc/47/18/56/691471856.db2.gz LLNYNGDCXNUOMT-ALXJQNPVSA-N 1 0 317.477 2.484 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1F ZINC000883402076 691498571 /nfs/dbraw/zinc/49/85/71/691498571.db2.gz HWWXCURTGMYJJQ-ZDUSSCGKSA-N 1 0 323.387 2.131 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000886267740 692040683 /nfs/dbraw/zinc/04/06/83/692040683.db2.gz UGVOFNWCWUCWEC-YJBOKZPZSA-N 1 0 304.434 2.490 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886333389 692059071 /nfs/dbraw/zinc/05/90/71/692059071.db2.gz HXFLDUABJXCNLP-IIYDPXPESA-N 1 0 307.390 2.217 20 10 DECDRO C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886500208 692094670 /nfs/dbraw/zinc/09/46/70/692094670.db2.gz KWOPMQKZPYIIIL-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924758795 693181813 /nfs/dbraw/zinc/18/18/13/693181813.db2.gz BABUCLGTIDCOGM-PKOBYXMFSA-N 1 0 318.461 2.410 20 10 DECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000925507085 693285944 /nfs/dbraw/zinc/28/59/44/693285944.db2.gz YFCDOVRRERZPPX-KXBFYZLASA-N 1 0 317.477 2.125 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCN[C@H]3C)C2)cc1 ZINC000925702191 693326731 /nfs/dbraw/zinc/32/67/31/693326731.db2.gz AKGQNYXXQQBQOS-DAYGRLMNSA-N 1 0 303.450 2.252 20 10 DECDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)cn1 ZINC001332299655 1149846140 /nfs/dbraw/zinc/84/61/40/1149846140.db2.gz OMSDNZHIOYUOHL-INIZCTEOSA-N 1 0 312.417 2.114 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)c1ccnn1C ZINC001332440173 1149860335 /nfs/dbraw/zinc/86/03/35/1149860335.db2.gz HJFVUIPKXUTKQO-TYNCELHUSA-N 1 0 301.390 2.306 20 10 DECDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001335062609 1150371432 /nfs/dbraw/zinc/37/14/32/1150371432.db2.gz TTWVWHZUVYLTNU-QGZVFWFLSA-N 1 0 309.406 2.394 20 10 DECDRO CCC[C@H](O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335166756 1150380755 /nfs/dbraw/zinc/38/07/55/1150380755.db2.gz ISAKCXMEWNWDQY-INIZCTEOSA-N 1 0 323.456 2.218 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001335447104 1150419717 /nfs/dbraw/zinc/41/97/17/1150419717.db2.gz DBDGLIODQGWWLT-YJBOKZPZSA-N 1 0 316.449 2.084 20 10 DECDRO CC(C)(C[NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001343527081 1150750607 /nfs/dbraw/zinc/75/06/07/1150750607.db2.gz RWYWMAZQKBGADQ-HNNXBMFYSA-N 1 0 320.433 2.275 20 10 DECDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(N)cc1 ZINC001345159555 1150869881 /nfs/dbraw/zinc/86/98/81/1150869881.db2.gz KDTLINSXOTYXOE-UHFFFAOYSA-N 1 0 303.431 2.469 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])C2CCCCC2)c1 ZINC001346056202 1150937715 /nfs/dbraw/zinc/93/77/15/1150937715.db2.gz KOOXHPGZXPQPCP-ZBEGNZNMSA-N 1 0 306.406 2.486 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1F ZINC001353536001 1151836974 /nfs/dbraw/zinc/83/69/74/1151836974.db2.gz XCZKQDYXUUFROE-JKIFEVAISA-N 1 0 319.424 2.144 20 10 DECDRO C[NH2+]CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC001357210785 1152270793 /nfs/dbraw/zinc/27/07/93/1152270793.db2.gz QCECFXQJQBOPGI-UHFFFAOYSA-N 1 0 316.449 2.202 20 10 DECDRO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C)[N@H+]1CCO ZINC001347792639 1151097521 /nfs/dbraw/zinc/09/75/21/1151097521.db2.gz BROSSKIAGUTBBN-CALCHBBNSA-N 1 0 317.477 2.174 20 10 DECDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001330622063 1149213428 /nfs/dbraw/zinc/21/34/28/1149213428.db2.gz OPBGVWDTBRPIGF-MAUKXSAKSA-N 1 0 304.434 2.305 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C2CC(F)(F)C2)cc1C ZINC001125498896 777102574 /nfs/dbraw/zinc/10/25/74/777102574.db2.gz FXBYPPUISANNEP-UHFFFAOYSA-N 1 0 312.360 2.255 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000724919805 777520936 /nfs/dbraw/zinc/52/09/36/777520936.db2.gz AWADRAQSTSGDJQ-CYBMUJFWSA-N 1 0 322.405 2.500 20 10 DECDRO COC[C@@H](CC[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000694372639 777809817 /nfs/dbraw/zinc/80/98/17/777809817.db2.gz HZYNTBJWHNQMBF-GFCCVEGCSA-N 1 0 303.786 2.195 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001144503802 790935763 /nfs/dbraw/zinc/93/57/63/790935763.db2.gz DHJKZUARQVWIBV-UHFFFAOYSA-N 1 0 315.325 2.090 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CO1 ZINC001169350007 785143733 /nfs/dbraw/zinc/14/37/33/785143733.db2.gz HXMUMQMYWABJPS-HOCLYGCPSA-N 1 0 307.390 2.204 20 10 DECDRO Cn1cc(CC[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000691461034 785799930 /nfs/dbraw/zinc/79/99/30/785799930.db2.gz FLDNWZGIFOPSAN-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO Cn1ccc(CC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000691463708 785812789 /nfs/dbraw/zinc/81/27/89/785812789.db2.gz OVEBLOLVFBUTTK-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000217855743 789334840 /nfs/dbraw/zinc/33/48/40/789334840.db2.gz VOWSXSQFJLEOBR-GFCCVEGCSA-N 1 0 320.252 2.358 20 10 DECDRO C[NH+](C)CCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715779521 792511072 /nfs/dbraw/zinc/51/10/72/792511072.db2.gz QEUQPOWHUYCJPC-UHFFFAOYSA-N 1 0 305.191 2.335 20 10 DECDRO Cc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc(C)[nH+]1 ZINC001176056527 794350112 /nfs/dbraw/zinc/35/01/12/794350112.db2.gz YMZBIYKTULBJJT-UHFFFAOYSA-N 1 0 319.430 2.289 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001116502050 794961290 /nfs/dbraw/zinc/96/12/90/794961290.db2.gz LPYFDOPWWXZPRV-CJDRZLIDSA-N 1 0 304.390 2.100 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001116502052 794962137 /nfs/dbraw/zinc/96/21/37/794962137.db2.gz LPYFDOPWWXZPRV-VNAHCXKQSA-N 1 0 304.390 2.100 20 10 DECDRO COCCn1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001116914407 794998483 /nfs/dbraw/zinc/99/84/83/794998483.db2.gz SPCGZWMOGYIRLJ-UHFFFAOYSA-N 1 0 314.433 2.420 20 10 DECDRO COc1cc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206371816 795075273 /nfs/dbraw/zinc/07/52/73/795075273.db2.gz WOLAYMXABWZDSD-INIZCTEOSA-N 1 0 312.385 2.062 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C[NH2+]C)cc1 ZINC001118027192 795142848 /nfs/dbraw/zinc/14/28/48/795142848.db2.gz UFURNDDTMZOKPZ-AWEZNQCLSA-N 1 0 306.454 2.188 20 10 DECDRO CC[C@H]1COCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119090617 795255832 /nfs/dbraw/zinc/25/58/32/795255832.db2.gz HVEPCKXNYOJDHV-SFHVURJKSA-N 1 0 317.477 2.487 20 10 DECDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119090616 795256083 /nfs/dbraw/zinc/25/60/83/795256083.db2.gz HVEPCKXNYOJDHV-GOSISDBHSA-N 1 0 317.477 2.487 20 10 DECDRO CN(C)c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119517071 795315683 /nfs/dbraw/zinc/31/56/83/795315683.db2.gz NKSBANKWBKIMMR-UHFFFAOYSA-N 1 0 317.477 2.486 20 10 DECDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(N)cc1 ZINC001120262844 795431866 /nfs/dbraw/zinc/43/18/66/795431866.db2.gz FPPGOMXLBCTGBI-GFCCVEGCSA-N 1 0 319.430 2.109 20 10 DECDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(N)cc1 ZINC001120592378 795493808 /nfs/dbraw/zinc/49/38/08/795493808.db2.gz WGMKHFOTYRCDBH-UHFFFAOYSA-N 1 0 316.405 2.135 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1OC ZINC001181775987 795537326 /nfs/dbraw/zinc/53/73/26/795537326.db2.gz JPOQYWVCJPPOQB-JQWIXIFHSA-N 1 0 303.362 2.402 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001137854109 796146567 /nfs/dbraw/zinc/14/65/67/796146567.db2.gz INZPFXVXIMGYJY-VQIMIIECSA-N 1 0 314.429 2.269 20 10 DECDRO Cc1c(C[N@H+](C)CCN2CCOCC2)c2ccccc2n1C ZINC001138252773 796188471 /nfs/dbraw/zinc/18/84/71/796188471.db2.gz ULFLQVFMJNGFPV-UHFFFAOYSA-N 1 0 301.434 2.251 20 10 DECDRO Oc1c(C[N@H+]2CCCC[C@H](O)C2)cc2c3c1CCCN3CCC2 ZINC001138338379 796198642 /nfs/dbraw/zinc/19/86/42/796198642.db2.gz QFAXAAOSQAEECP-INIZCTEOSA-N 1 0 316.445 2.438 20 10 DECDRO CN1CCCc2cc(CN3CCC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001138356519 796204428 /nfs/dbraw/zinc/20/44/28/796204428.db2.gz PYTZLGYUEKCROL-INIZCTEOSA-N 1 0 322.474 2.078 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC12CC2 ZINC001138359670 796205354 /nfs/dbraw/zinc/20/53/54/796205354.db2.gz GBGLPGFWJUTSQY-MRXNPFEDSA-N 1 0 314.429 2.454 20 10 DECDRO O[C@@]1(CF)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496486 796226962 /nfs/dbraw/zinc/22/69/62/796226962.db2.gz RGJZMPWJCJGMDP-GOSISDBHSA-N 1 0 322.424 2.210 20 10 DECDRO O=C1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138501374 796229110 /nfs/dbraw/zinc/22/91/10/796229110.db2.gz RQANNIGWJSWWQC-WMZOPIPTSA-N 1 0 314.429 2.324 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@@](C)(O)C1 ZINC001139129157 796328702 /nfs/dbraw/zinc/32/87/02/796328702.db2.gz OQLDOFFLPCAXGB-QGZVFWFLSA-N 1 0 303.358 2.154 20 10 DECDRO Cc1cc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC001139674097 796408852 /nfs/dbraw/zinc/40/88/52/796408852.db2.gz NKTOEVXLPLATQU-SFHVURJKSA-N 1 0 317.477 2.358 20 10 DECDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055495 796470624 /nfs/dbraw/zinc/47/06/24/796470624.db2.gz HNVLYJMYQTZOHN-LBPRGKRZSA-N 1 0 305.353 2.006 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC001140184491 796487705 /nfs/dbraw/zinc/48/77/05/796487705.db2.gz WOANLVFJFVVHBV-UHFFFAOYSA-N 1 0 304.390 2.474 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccncc1O ZINC001140278179 796500072 /nfs/dbraw/zinc/50/00/72/796500072.db2.gz OATWVYATMBOYEA-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1=O ZINC001140282889 796501709 /nfs/dbraw/zinc/50/17/09/796501709.db2.gz JHRXCGAOWLVCJB-HNNXBMFYSA-N 1 0 316.445 2.449 20 10 DECDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287070 796502759 /nfs/dbraw/zinc/50/27/59/796502759.db2.gz HIYMDUUNLFVTCF-MRXNPFEDSA-N 1 0 302.418 2.059 20 10 DECDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140288515 796502780 /nfs/dbraw/zinc/50/27/80/796502780.db2.gz OMTVBRXIXICPII-SFHVURJKSA-N 1 0 302.418 2.201 20 10 DECDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660078 796551178 /nfs/dbraw/zinc/55/11/78/796551178.db2.gz FCOAAAHMCCFXFE-MRXNPFEDSA-N 1 0 308.397 2.273 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c1O ZINC001140749000 796567430 /nfs/dbraw/zinc/56/74/30/796567430.db2.gz NOUODCQIOPFBOD-UHFFFAOYSA-N 1 0 306.406 2.130 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)c1 ZINC001140856950 796584303 /nfs/dbraw/zinc/58/43/03/796584303.db2.gz JKSITQNZJGXUIU-CQSZACIVSA-N 1 0 319.449 2.291 20 10 DECDRO CNC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926228 796598259 /nfs/dbraw/zinc/59/82/59/796598259.db2.gz IUAZZGWWMKMJSJ-ZDUSSCGKSA-N 1 0 324.856 2.299 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)c(OC)c1 ZINC001141029662 796621725 /nfs/dbraw/zinc/62/17/25/796621725.db2.gz YUBLCUGVACFZRP-NSHDSACASA-N 1 0 319.361 2.090 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(OC)c1 ZINC001141032554 796621931 /nfs/dbraw/zinc/62/19/31/796621931.db2.gz GKKCNGNCDWSHRH-WCQYABFASA-N 1 0 305.374 2.210 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032695 796622631 /nfs/dbraw/zinc/62/26/31/796622631.db2.gz MXQAVBKHAIOFMB-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO CN1CCOc2cc(CN3C[C@H]4CCC[N@H+](C)[C@H]4C3)ccc21 ZINC001141145745 796639868 /nfs/dbraw/zinc/63/98/68/796639868.db2.gz ZBNOZEUKBPEARM-WBVHZDCISA-N 1 0 301.434 2.041 20 10 DECDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159208 796642198 /nfs/dbraw/zinc/64/21/98/796642198.db2.gz CECIZUCBDJFNPZ-LBPRGKRZSA-N 1 0 322.405 2.444 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)CCOC(C)C)cc1C ZINC001154849944 797626335 /nfs/dbraw/zinc/62/63/35/797626335.db2.gz LIRSSPCETFXPFY-UHFFFAOYSA-N 1 0 322.449 2.415 20 10 DECDRO Cc1nc(N2CCCc3cc(O)c(O)cc3C2)cc(N(C)C)[nH+]1 ZINC001155932633 797883587 /nfs/dbraw/zinc/88/35/87/797883587.db2.gz ANHWTYRITFDYAL-UHFFFAOYSA-N 1 0 314.389 2.215 20 10 DECDRO O=C(NCc1c(O)cccc1F)c1ccn(-c2cc[nH+]cc2)n1 ZINC001156171253 797938407 /nfs/dbraw/zinc/93/84/07/797938407.db2.gz YUJAQBINXSMPKM-UHFFFAOYSA-N 1 0 312.304 2.042 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cnc4cc[nH]c4n3)cc2)CC1 ZINC001156652775 798053418 /nfs/dbraw/zinc/05/34/18/798053418.db2.gz YXRLEVLHRGCZRK-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO COc1cccc(C[NH+]2CCC(Oc3ncccn3)CC2)c1O ZINC001203595562 800087220 /nfs/dbraw/zinc/08/72/20/800087220.db2.gz ILGXQZHNPUWPHT-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO COc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c1O ZINC001203602160 800088328 /nfs/dbraw/zinc/08/83/28/800088328.db2.gz FGRKSEWANZOHED-GJZGRUSLSA-N 1 0 308.397 2.409 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c(O)c1 ZINC001203621560 800091296 /nfs/dbraw/zinc/09/12/96/800091296.db2.gz XGTVPECRYXTCGE-CYBMUJFWSA-N 1 0 303.362 2.472 20 10 DECDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645883 800100087 /nfs/dbraw/zinc/10/00/87/800100087.db2.gz VGEHDNXMWAWENO-JOYOIKCWSA-N 1 0 300.196 2.500 20 10 DECDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001203657245 800101134 /nfs/dbraw/zinc/10/11/34/800101134.db2.gz ASPFJLKPMAMJTJ-IYBDPMFKSA-N 1 0 322.836 2.341 20 10 DECDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876386 800138148 /nfs/dbraw/zinc/13/81/48/800138148.db2.gz CPHIDALRTJVHMQ-SFHVURJKSA-N 1 0 310.353 2.194 20 10 DECDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)nc1 ZINC001203884086 800141152 /nfs/dbraw/zinc/14/11/52/800141152.db2.gz RHVSASIEWRVMJL-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC001203931519 800147819 /nfs/dbraw/zinc/14/78/19/800147819.db2.gz ILULXOIFRCPTHI-IRXDYDNUSA-N 1 0 323.444 2.111 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(C(=O)OC)CC2)cc1 ZINC001203945363 800149745 /nfs/dbraw/zinc/14/97/45/800149745.db2.gz LCJUUZDFUXYIGQ-UHFFFAOYSA-N 1 0 320.433 2.033 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c2ccccc21 ZINC001204232342 800191540 /nfs/dbraw/zinc/19/15/40/800191540.db2.gz ARSDPOJOFOINTA-HNAYVOBHSA-N 1 0 314.429 2.081 20 10 DECDRO Oc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001204282197 800200603 /nfs/dbraw/zinc/20/06/03/800200603.db2.gz OFCXHLYDUBAVGI-JKSUJKDBSA-N 1 0 308.397 2.496 20 10 DECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(OC)cc1O)CC2 ZINC001204298472 800202255 /nfs/dbraw/zinc/20/22/55/800202255.db2.gz GRGDPMNPAPMQJB-OAHLLOKOSA-N 1 0 319.401 2.484 20 10 DECDRO c1cc(N2CCCC2)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001204323885 800204498 /nfs/dbraw/zinc/20/44/98/800204498.db2.gz JPIKMNWPSOTDQU-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)cc(O)c1O ZINC001204343221 800206424 /nfs/dbraw/zinc/20/64/24/800206424.db2.gz QEPVXHIGOIEYEK-IPYPFGDCSA-N 1 0 307.390 2.353 20 10 DECDRO COC(=O)c1c(CN2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc2n1C ZINC001205083633 800295220 /nfs/dbraw/zinc/29/52/20/800295220.db2.gz WZIAMPHMLKMTAV-STQMWFEESA-N 1 0 315.417 2.277 20 10 DECDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)c(O)cc2O)CCC1(F)F ZINC001205779062 800419249 /nfs/dbraw/zinc/41/92/49/800419249.db2.gz JAORHRZIHZYNGK-VIFPVBQESA-N 1 0 306.740 2.167 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c(O)cc1O ZINC001231635725 801700066 /nfs/dbraw/zinc/70/00/66/801700066.db2.gz HJTDJFWNSKVZTA-FFSVYQOJSA-N 1 0 307.390 2.353 20 10 DECDRO COc1cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c(O)cc1O ZINC001231639603 801701474 /nfs/dbraw/zinc/70/14/74/801701474.db2.gz WKXSFYCIUFKLPC-UHFFFAOYSA-N 1 0 317.389 2.220 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)cc1Cl ZINC001231868446 801742173 /nfs/dbraw/zinc/74/21/73/801742173.db2.gz SYQPMTDEVCKYNF-INIZCTEOSA-N 1 0 308.809 2.456 20 10 DECDRO COCC[NH+](CCOC)Cc1cc(Cl)c(OC)cc1O ZINC001232265023 801833764 /nfs/dbraw/zinc/83/37/64/801833764.db2.gz NKHNFCWEGMJRGE-UHFFFAOYSA-N 1 0 303.786 2.149 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc1Cl ZINC001232266721 801834389 /nfs/dbraw/zinc/83/43/89/801834389.db2.gz XQIZCIINIDOEIH-NSHDSACASA-N 1 0 321.764 2.195 20 10 DECDRO COC(=O)C1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232268789 801835209 /nfs/dbraw/zinc/83/52/09/801835209.db2.gz VGBUUQVNSREIHR-UHFFFAOYSA-N 1 0 313.781 2.439 20 10 DECDRO Cc1cc(Br)cc(CN2CC[N@@H+]3CC[C@@H]3C2)c1O ZINC001233111678 802027202 /nfs/dbraw/zinc/02/72/02/802027202.db2.gz SVOFQIGGHQKXIT-CYBMUJFWSA-N 1 0 311.223 2.353 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Br ZINC001233137264 802034968 /nfs/dbraw/zinc/03/49/68/802034968.db2.gz IHJJJXPMFPEZCH-CYBMUJFWSA-N 1 0 316.195 2.120 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1 ZINC001233286717 802063710 /nfs/dbraw/zinc/06/37/10/802063710.db2.gz GNGJQXKMMSUSIC-SWLSCSKDSA-N 1 0 302.418 2.258 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C3COC3)CC2)c1 ZINC001233283964 802063884 /nfs/dbraw/zinc/06/38/84/802063884.db2.gz CGVIAUBBJNBLFJ-UHFFFAOYSA-N 1 0 304.434 2.206 20 10 DECDRO COCCN1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233284331 802063976 /nfs/dbraw/zinc/06/39/76/802063976.db2.gz QPVPRCCMYOMAKM-UHFFFAOYSA-N 1 0 306.450 2.454 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCO1 ZINC001233284582 802064431 /nfs/dbraw/zinc/06/44/31/802064431.db2.gz ZTWUESVYAPELCB-MRXNPFEDSA-N 1 0 306.450 2.452 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001217965677 802125253 /nfs/dbraw/zinc/12/52/53/802125253.db2.gz SEOWQPKQQOUFKU-BZNIZROVSA-N 1 0 307.349 2.449 20 10 DECDRO C[C@@H]1C[C@H](Oc2ccc(O)c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218045600 802136975 /nfs/dbraw/zinc/13/69/75/802136975.db2.gz DQJLJKALZUNQFJ-MNOVXSKESA-N 1 0 323.348 2.297 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C=CC[NH2+]C3)ccc(O)c21 ZINC001218330550 802169018 /nfs/dbraw/zinc/16/90/18/802169018.db2.gz GTALANNCUOGOML-LLVKDONJSA-N 1 0 321.332 2.074 20 10 DECDRO [O-]c1c(Br)cccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000316331714 802507792 /nfs/dbraw/zinc/50/77/92/802507792.db2.gz GOYDCNZQGZTXQM-LBPRGKRZSA-N 1 0 300.196 2.405 20 10 DECDRO CC[NH+](CC)CC[C@H](CO)NCc1ccc(N2CCCC2)cc1 ZINC001330842089 1149312898 /nfs/dbraw/zinc/31/28/98/1149312898.db2.gz SXJQVVDWESROBX-GOSISDBHSA-N 1 0 319.493 2.469 20 10 DECDRO Cc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC001334348024 1150278587 /nfs/dbraw/zinc/27/85/87/1150278587.db2.gz XMVSQMIWHQGZOL-KRWDZBQOSA-N 1 0 301.438 2.177 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]2C1 ZINC001335226586 1150386881 /nfs/dbraw/zinc/38/68/81/1150386881.db2.gz JABYHVBZZSDVCM-GRYCIOLGSA-N 1 0 322.380 2.039 20 10 DECDRO CCOC1CC(O)(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001331510013 1149493408 /nfs/dbraw/zinc/49/34/08/1149493408.db2.gz BEHYZEYHQFFTRA-UHFFFAOYSA-N 1 0 314.376 2.050 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001335910546 1150559267 /nfs/dbraw/zinc/55/92/67/1150559267.db2.gz INRAUHLYYMODPR-SJLPKXTDSA-N 1 0 316.449 2.084 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC001328689503 1148824387 /nfs/dbraw/zinc/82/43/87/1148824387.db2.gz QYWIOLNBSZZXIY-UHFFFAOYSA-N 1 0 317.433 2.374 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454575822 1057531743 /nfs/dbraw/zinc/53/17/43/1057531743.db2.gz DKYSFDPHQRSKDI-CYBMUJFWSA-N 1 0 302.399 2.110 20 10 DECDRO CC[C@@H](CNC(=O)c1cn[nH]c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494946925 1064602060 /nfs/dbraw/zinc/60/20/60/1064602060.db2.gz NKOVMGIRIMQURV-HNNXBMFYSA-N 1 0 316.405 2.025 20 10 DECDRO C[N@H+](CCCNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001618815609 1078158939 /nfs/dbraw/zinc/15/89/39/1078158939.db2.gz BJOIVKCKNMSTCB-UHFFFAOYSA-N 1 0 320.433 2.411 20 10 DECDRO CC(C)c1ccc(O)c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC001621116488 1078169825 /nfs/dbraw/zinc/16/98/25/1078169825.db2.gz DIGIRGHAOTVNGR-UHFFFAOYSA-N 1 0 306.450 2.404 20 10 DECDRO CCC[N@H+](Cc1cc(C(C)C)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC001621278980 1078172363 /nfs/dbraw/zinc/17/23/63/1078172363.db2.gz IRQGZQNJJHXAAH-HNNXBMFYSA-N 1 0 318.417 2.485 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])Cc1ccncc1 ZINC001577526850 1066868049 /nfs/dbraw/zinc/86/80/49/1066868049.db2.gz GPJIMDSAEQWGJE-INIZCTEOSA-N 1 0 313.401 2.096 20 10 DECDRO C[NH+](C)C1(C)CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001635967267 1078463409 /nfs/dbraw/zinc/46/34/09/1078463409.db2.gz SIJYWEPZXMTCIK-UHFFFAOYSA-N 1 0 306.406 2.019 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001578427651 1067098472 /nfs/dbraw/zinc/09/84/72/1067098472.db2.gz YDXQCWQUAWJXTD-CABCVRRESA-N 1 0 315.417 2.009 20 10 DECDRO COc1c(O)c(CNC[C@@H]2CCC(C)(C)C[NH2+]2)ccc1[N+](=O)[O-] ZINC001579136772 1067239723 /nfs/dbraw/zinc/23/97/23/1067239723.db2.gz RYAZBNYIKZKMCY-LBPRGKRZSA-N 1 0 323.393 2.177 20 10 DECDRO [NH3+][C@H]1CCSC2(CC(C(=O)NCc3ccccc3O)C2)C1 ZINC001580200740 1067522440 /nfs/dbraw/zinc/52/24/40/1067522440.db2.gz UAWZMWCRRIPOFB-UYJPIKCFSA-N 1 0 306.431 2.012 20 10 DECDRO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001267337674 1078775373 /nfs/dbraw/zinc/77/53/73/1078775373.db2.gz DRROOUGZQFWSOQ-UHFFFAOYSA-N 1 0 303.366 2.063 20 10 DECDRO CCC(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC001644510550 1078849089 /nfs/dbraw/zinc/84/90/89/1078849089.db2.gz DQJSLVJSUPLMQS-UHFFFAOYSA-N 1 0 322.380 2.225 20 10 DECDRO C[NH2+]CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001573902667 1069128104 /nfs/dbraw/zinc/12/81/04/1069128104.db2.gz DUUOUZDRLJLQRW-UHFFFAOYSA-N 1 0 308.337 2.010 20 10 DECDRO C[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC001521464146 1069243941 /nfs/dbraw/zinc/24/39/41/1069243941.db2.gz PIVUBMDUEVXLTP-CZUORRHYSA-N 1 0 301.434 2.073 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)cc1F ZINC001521476942 1069244805 /nfs/dbraw/zinc/24/48/05/1069244805.db2.gz PCYMGIMROYYGJN-CTASWTNQSA-N 1 0 319.424 2.271 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(O)c1 ZINC001272625239 1079019891 /nfs/dbraw/zinc/01/98/91/1079019891.db2.gz JAGDQEHWDUVFCQ-SFHVURJKSA-N 1 0 318.417 2.235 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001649897364 1079293662 /nfs/dbraw/zinc/29/36/62/1079293662.db2.gz MWIMOADJTPBCJZ-HZPDHXFCSA-N 1 0 302.418 2.358 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCOCC3)cc2F)CC1 ZINC001560418167 1075139940 /nfs/dbraw/zinc/13/99/40/1075139940.db2.gz VGWBLBKTCQQHQJ-MRXNPFEDSA-N 1 0 321.440 2.236 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)c1O ZINC001560752875 1075145224 /nfs/dbraw/zinc/14/52/24/1075145224.db2.gz PFKSHIMTIHEHNW-MRXNPFEDSA-N 1 0 301.386 2.353 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001566374727 1075242177 /nfs/dbraw/zinc/24/21/77/1075242177.db2.gz RYNYSCBFANCLQA-GFCCVEGCSA-N 1 0 304.390 2.206 20 10 DECDRO O=C(NCc1c(O)cccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001580708947 1075980092 /nfs/dbraw/zinc/98/00/92/1075980092.db2.gz ZOIDNERXAPDUKT-BNOWGMLFSA-N 1 0 304.390 2.025 20 10 DECDRO Oc1cccc(Br)c1CN[C@@H]1C[NH2+]CCC1(F)F ZINC001580887982 1076013776 /nfs/dbraw/zinc/01/37/76/1076013776.db2.gz BXXWTWLBIZRSOA-LLVKDONJSA-N 1 0 321.165 2.242 20 10 DECDRO CC(C)(CNC(N)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001651644002 1079823744 /nfs/dbraw/zinc/82/37/44/1079823744.db2.gz NVCAXEMOKQETGH-UHFFFAOYSA-N 1 0 304.438 2.213 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Cl)cc2O)CCCOC1 ZINC001652251175 1079860581 /nfs/dbraw/zinc/86/05/81/1079860581.db2.gz JMBCUWGFRVKWCY-OAHLLOKOSA-N 1 0 313.781 2.248 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC001658285978 1080204195 /nfs/dbraw/zinc/20/41/95/1080204195.db2.gz OBJMFGBVPBKJKH-LBPRGKRZSA-N 1 0 302.378 2.125 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)N(CCO)C[C@H]2C)c1 ZINC001658378645 1080207292 /nfs/dbraw/zinc/20/72/92/1080207292.db2.gz FDXGTFDZAHQVRG-HUUCEWRRSA-N 1 0 306.450 2.403 20 10 DECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001663524992 1080765978 /nfs/dbraw/zinc/76/59/78/1080765978.db2.gz BKFYKPIXPSAUIR-ZDUSSCGKSA-N 1 0 307.390 2.484 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c(Cl)c1 ZINC001665168567 1080995502 /nfs/dbraw/zinc/99/55/02/1080995502.db2.gz YHSNDWFSDNAJNR-GXFFZTMASA-N 1 0 310.781 2.284 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1 ZINC001665168491 1080996323 /nfs/dbraw/zinc/99/63/23/1080996323.db2.gz WMGBRZGVUPCKRY-DZGCQCFKSA-N 1 0 304.390 2.446 20 10 DECDRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(Cl)cc1O ZINC001665552907 1081039751 /nfs/dbraw/zinc/03/97/51/1081039751.db2.gz UQYRMUJOOAEVMS-GFCCVEGCSA-N 1 0 303.811 2.103 20 10 DECDRO CC(C)[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667064158 1081207721 /nfs/dbraw/zinc/20/77/21/1081207721.db2.gz USHKELLUBJBAKC-LLVKDONJSA-N 1 0 305.382 2.308 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001269607680 1081306334 /nfs/dbraw/zinc/30/63/34/1081306334.db2.gz GDTPWIPGPQAFIK-GJZGRUSLSA-N 1 0 316.401 2.329 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccco2)cc1C ZINC001266904232 1082444705 /nfs/dbraw/zinc/44/47/05/1082444705.db2.gz TWCVAKKJKQKMPR-UHFFFAOYSA-N 1 0 316.401 2.387 20 10 DECDRO CCOc1ccc(N2CC3(C2)C[NH+](CCn2ccnc2)C3)cc1 ZINC001276926425 1083684333 /nfs/dbraw/zinc/68/43/33/1083684333.db2.gz SBUPEPKUJNSLRF-UHFFFAOYSA-N 1 0 312.417 2.104 20 10 DECDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cn[nH]c4)C[C@H]32)cc1F ZINC001277009932 1083731606 /nfs/dbraw/zinc/73/16/06/1083731606.db2.gz OZFKHCZKMVEFJK-XJKSGUPXSA-N 1 0 316.380 2.268 20 10 DECDRO CN(C)c1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c2ccccc21 ZINC001277174069 1083828557 /nfs/dbraw/zinc/82/85/57/1083828557.db2.gz SUZBFZZJMZGBOB-UHFFFAOYSA-N 1 0 309.413 2.403 20 10 DECDRO COc1ccc(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)c(O)c1 ZINC001277453568 1083978768 /nfs/dbraw/zinc/97/87/68/1083978768.db2.gz BHSICUBYEOQMNP-ZDUSSCGKSA-N 1 0 318.417 2.268 20 10 DECDRO Cc1cc(Br)cc(CN2CC[NH2+]CC23CC3)c1O ZINC001234978915 1084256957 /nfs/dbraw/zinc/25/69/57/1084256957.db2.gz HQWJMWKYOMMWLX-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)c(OC)c1 ZINC001235123060 1084316891 /nfs/dbraw/zinc/31/68/91/1084316891.db2.gz YAMXDRFRRAHVFD-KRWDZBQOSA-N 1 0 306.406 2.127 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3CC[C@H]4C[C@@]4([NH3+])C3)ccc2O1 ZINC001235170296 1084333809 /nfs/dbraw/zinc/33/38/09/1084333809.db2.gz DTOYVBNEIHKBCG-SCLBCKFNSA-N 1 0 300.402 2.500 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001235174548 1084335377 /nfs/dbraw/zinc/33/53/77/1084335377.db2.gz OUSLLGSYNVABOI-WMLDXEAASA-N 1 0 321.852 2.100 20 10 DECDRO O=C([O-])c1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(O)c1 ZINC001235243099 1084356222 /nfs/dbraw/zinc/35/62/22/1084356222.db2.gz VYJYRNZFDMJFSH-INIZCTEOSA-N 1 0 318.417 2.445 20 10 DECDRO CCN(CC[NH2+]C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236145433 1084621197 /nfs/dbraw/zinc/62/11/97/1084621197.db2.gz YGBCUUJYESWNFT-UHFFFAOYSA-N 1 0 303.450 2.132 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001276364739 1085465145 /nfs/dbraw/zinc/46/51/45/1085465145.db2.gz DNVVSVINXCKMTH-UHFFFAOYSA-N 1 0 312.417 2.192 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC2(CN(C)C2)C1 ZINC001276369421 1085846525 /nfs/dbraw/zinc/84/65/25/1085846525.db2.gz SKRJUMMRGOLLPH-UHFFFAOYSA-N 1 0 303.450 2.289 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001273049378 1086084706 /nfs/dbraw/zinc/08/47/06/1086084706.db2.gz VQTGVSHQCURJLX-HNNXBMFYSA-N 1 0 302.418 2.357 20 10 DECDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000701117401 1086352424 /nfs/dbraw/zinc/35/24/24/1086352424.db2.gz JOGGOEJKWUJLPN-UHFFFAOYSA-N 1 0 315.211 2.159 20 10 DECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706834269 1086651793 /nfs/dbraw/zinc/65/17/93/1086651793.db2.gz RAOKJOOSGUUXAJ-XLFHBGCDSA-N 1 0 320.252 2.401 20 10 DECDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C1(CO)CC1 ZINC000706872664 1086653695 /nfs/dbraw/zinc/65/36/95/1086653695.db2.gz KTCPKMHKAUMZJA-SECBINFHSA-N 1 0 300.196 2.405 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001273164437 1087115765 /nfs/dbraw/zinc/11/57/65/1087115765.db2.gz VRIHZKHZVRPQEY-CYBMUJFWSA-N 1 0 308.809 2.394 20 10 DECDRO CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273286123 1090709930 /nfs/dbraw/zinc/70/99/30/1090709930.db2.gz ZLQMNHTZRPAMMX-UHFFFAOYSA-N 1 0 306.381 2.366 20 10 DECDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Br)c(F)cc1[O-] ZINC001275054580 1091531933 /nfs/dbraw/zinc/53/19/33/1091531933.db2.gz AEDNMXQXDDGHFY-AOOOYVTPSA-N 1 0 315.186 2.182 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1O ZINC001275270874 1091646621 /nfs/dbraw/zinc/64/66/21/1091646621.db2.gz NQGLVYMSBPVUTO-GOSISDBHSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001275965412 1092388066 /nfs/dbraw/zinc/38/80/66/1092388066.db2.gz FUXDYSLHQAUJKS-SFHVURJKSA-N 1 0 304.434 2.306 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c(O)c1OC ZINC001352007544 1151653659 /nfs/dbraw/zinc/65/36/59/1151653659.db2.gz YGAGTQIHGKNWEW-MGPQQGTHSA-N 1 0 307.390 2.457 20 10 DECDRO COCCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236333072 1138353536 /nfs/dbraw/zinc/35/35/36/1138353536.db2.gz VUFAXQJBSRHXFR-KRWDZBQOSA-N 1 0 305.466 2.261 20 10 DECDRO COCCN(Cc1c2ccccc2n(C)c1C)[C@H]1CC[NH2+]C1 ZINC001236336486 1138354055 /nfs/dbraw/zinc/35/40/55/1138354055.db2.gz YDPKAOQRAGUYHR-HNNXBMFYSA-N 1 0 301.434 2.297 20 10 DECDRO COC[C@H]1CCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236773961 1138423693 /nfs/dbraw/zinc/42/36/93/1138423693.db2.gz WOLMPZCKZYYCCW-SNVBAGLBSA-N 1 0 316.195 2.471 20 10 DECDRO CCc1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)c(O)c1 ZINC001236788480 1138428471 /nfs/dbraw/zinc/42/84/71/1138428471.db2.gz UUSIWJATSPIMKL-UHFFFAOYSA-N 1 0 313.401 2.354 20 10 DECDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236805994 1138433327 /nfs/dbraw/zinc/43/33/27/1138433327.db2.gz KIJSUCJMNLQFQG-SNVBAGLBSA-N 1 0 313.781 2.439 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)[C@@H]1C ZINC001236810392 1138435348 /nfs/dbraw/zinc/43/53/48/1138435348.db2.gz FMKLKEJTRHAPAT-OCCSQVGLSA-N 1 0 307.390 2.483 20 10 DECDRO COc1cc(C)c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001236815016 1138438160 /nfs/dbraw/zinc/43/81/60/1138438160.db2.gz ZUMCJAPBKGONSU-OAHLLOKOSA-N 1 0 320.433 2.006 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1 ZINC001236817049 1138438370 /nfs/dbraw/zinc/43/83/70/1138438370.db2.gz CDJRVIHJZGRETD-UHFFFAOYSA-N 1 0 320.433 2.006 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001236816048 1138439095 /nfs/dbraw/zinc/43/90/95/1138439095.db2.gz QIQKFVDFHHDJKQ-ZDUSSCGKSA-N 1 0 315.373 2.153 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1O ZINC001236921032 1138456964 /nfs/dbraw/zinc/45/69/64/1138456964.db2.gz CAOVPNWBRFYEFR-DYVFJYSZSA-N 1 0 324.852 2.379 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(O)c1 ZINC001237046916 1138488182 /nfs/dbraw/zinc/48/81/82/1138488182.db2.gz HXAZBUSFGLCKQD-UHFFFAOYSA-N 1 0 321.421 2.027 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)C3(CC3)C2)c(O)c1 ZINC001237048671 1138489272 /nfs/dbraw/zinc/48/92/72/1138489272.db2.gz VKDPZQDDOHETIP-CQSZACIVSA-N 1 0 305.374 2.176 20 10 DECDRO CC(C)c1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001237056274 1138492157 /nfs/dbraw/zinc/49/21/57/1138492157.db2.gz WEWGJHGFINRYQT-QGZVFWFLSA-N 1 0 315.417 2.479 20 10 DECDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)c(O)c(OC)c1 ZINC001237676864 1138748140 /nfs/dbraw/zinc/74/81/40/1138748140.db2.gz RQYFTYOENYXNMG-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO CCCCCCNC(=O)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239223849 1138995988 /nfs/dbraw/zinc/99/59/88/1138995988.db2.gz SLGKOMPHUSGEHH-UHFFFAOYSA-N 1 0 318.465 2.476 20 10 DECDRO CCOc1ccc(N2CCN([C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246949693 1141169864 /nfs/dbraw/zinc/16/98/64/1141169864.db2.gz PMORHKGJMQSBSU-WBVHZDCISA-N 1 0 303.450 2.348 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CCC3(CCOC3)CC2)c(O)c1 ZINC001249172054 1141856534 /nfs/dbraw/zinc/85/65/34/1141856534.db2.gz IMAHMSNRVFRURN-UHFFFAOYSA-N 1 0 319.401 2.110 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001249178805 1141857255 /nfs/dbraw/zinc/85/72/55/1141857255.db2.gz VXUMLBHJOFMMQZ-YOEHRIQHSA-N 1 0 319.401 2.109 20 10 DECDRO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249201543 1141858913 /nfs/dbraw/zinc/85/89/13/1141858913.db2.gz WYGTTWAWRMWDBO-MRXNPFEDSA-N 1 0 321.417 2.499 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@@H]3C(N)=O)ccc2O1 ZINC001249244671 1141863871 /nfs/dbraw/zinc/86/38/71/1141863871.db2.gz LOZRKYCGBZVZRI-CQSZACIVSA-N 1 0 316.401 2.416 20 10 DECDRO COc1ncccc1-c1noc(C[C@@H]([NH3+])c2ccccc2O)n1 ZINC001249340174 1141876749 /nfs/dbraw/zinc/87/67/49/1141876749.db2.gz WKBZPZRDGJXROC-GFCCVEGCSA-N 1 0 312.329 2.088 20 10 DECDRO CS(=O)(=O)N(c1ccc(N)cc1)c1ccc2c[nH+]cn2c1 ZINC001250331385 1142154112 /nfs/dbraw/zinc/15/41/12/1142154112.db2.gz PKNMXRKSLUZSOC-UHFFFAOYSA-N 1 0 302.359 2.014 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC001336752580 1142559756 /nfs/dbraw/zinc/55/97/56/1142559756.db2.gz ZEXOTUBNGOJCCD-INIZCTEOSA-N 1 0 318.465 2.412 20 10 DECDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(N2CCCC2)cc1 ZINC001337032555 1142665204 /nfs/dbraw/zinc/66/52/04/1142665204.db2.gz IEQNKDAEQHNWQZ-UHFFFAOYSA-N 1 0 320.433 2.298 20 10 DECDRO Oc1cccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC001252936640 1142832293 /nfs/dbraw/zinc/83/22/93/1142832293.db2.gz YXEJQMWUDJKONL-SFHVURJKSA-N 1 0 314.385 2.147 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253396011 1142868209 /nfs/dbraw/zinc/86/82/09/1142868209.db2.gz RIEKLZIVZALCJW-QGZVFWFLSA-N 1 0 307.482 2.324 20 10 DECDRO CN(CC[NH+]1CCCCC1)c1nnc(C2SC=CC2=O)n1C ZINC001338750277 1142875911 /nfs/dbraw/zinc/87/59/11/1142875911.db2.gz LSNKLCIGAOATAM-UHFFFAOYSA-N 1 0 321.450 2.171 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001339287254 1143006182 /nfs/dbraw/zinc/00/61/82/1143006182.db2.gz KXYUXYIGNVDEEM-OAHLLOKOSA-N 1 0 323.433 2.306 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3CCCOC3)CC2)c(OC)c1 ZINC001254387168 1143097084 /nfs/dbraw/zinc/09/70/84/1143097084.db2.gz AEXMRJFRVKYKMP-AWEZNQCLSA-N 1 0 306.406 2.005 20 10 DECDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255336935 1143562724 /nfs/dbraw/zinc/56/27/24/1143562724.db2.gz GDUUDDUCDBRWFM-ZIAGYGMSSA-N 1 0 307.390 2.352 20 10 DECDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001255338549 1143563278 /nfs/dbraw/zinc/56/32/78/1143563278.db2.gz NBXBZTMNWNQCQI-CHWSQXEVSA-N 1 0 323.389 2.057 20 10 DECDRO Cc1cc(C(=O)NC2CC3(CC([NH3+])C3)C2)c(C)n1-c1ccccn1 ZINC001341989727 1143762847 /nfs/dbraw/zinc/76/28/47/1143762847.db2.gz SDFWBHWSSLRSJX-UHFFFAOYSA-N 1 0 324.428 2.489 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3CCCC[C@H]3[NH3+])ccc21 ZINC001261501726 1144252714 /nfs/dbraw/zinc/25/27/14/1144252714.db2.gz LQDIIKPPNJRXAC-JKSUJKDBSA-N 1 0 301.434 2.203 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263110933 1144356810 /nfs/dbraw/zinc/35/68/10/1144356810.db2.gz LWVYCOAQHKLIIP-FGTMMUONSA-N 1 0 315.461 2.345 20 10 DECDRO CCOCc1cc(C[NH2+]CCN2CCSCC2)ccc1OC ZINC001308258815 1147462871 /nfs/dbraw/zinc/46/28/71/1147462871.db2.gz RBHXCCQFIKTCBD-UHFFFAOYSA-N 1 0 324.490 2.370 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)cc2)CC1 ZINC001324720635 1147836065 /nfs/dbraw/zinc/83/60/65/1147836065.db2.gz LQZWOGDCUBNRNC-SFHVURJKSA-N 1 0 316.445 2.259 20 10 DECDRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325128436 1147878310 /nfs/dbraw/zinc/87/83/10/1147878310.db2.gz LGIFXBKPQRHZKH-IBGZPJMESA-N 1 0 317.477 2.223 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NCCCC[NH3+])C2CC2)cc1 ZINC001325369293 1147897059 /nfs/dbraw/zinc/89/70/59/1147897059.db2.gz BWHHQLBCNUJVKX-UHFFFAOYSA-N 1 0 304.438 2.166 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)C1CC1 ZINC001325580373 1147954618 /nfs/dbraw/zinc/95/46/18/1147954618.db2.gz BHRDGJDUBGAUAU-AAEUAGOBSA-N 1 0 309.431 2.416 20 10 DECDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000079408595 185169572 /nfs/dbraw/zinc/16/95/72/185169572.db2.gz IZYIGRGXECDFRR-OAHLLOKOSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090643207 185308038 /nfs/dbraw/zinc/30/80/38/185308038.db2.gz RPFLAGPLELLCCP-CQSZACIVSA-N 1 0 322.424 2.476 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092455428 185319569 /nfs/dbraw/zinc/31/95/69/185319569.db2.gz WOMQPGSYZAIHNQ-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001353539594 1151837132 /nfs/dbraw/zinc/83/71/32/1151837132.db2.gz NPUGKPYEUUSPQC-UHFFFAOYSA-N 1 0 304.438 2.285 20 10 DECDRO CCCC[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000048614883 354354250 /nfs/dbraw/zinc/35/42/50/354354250.db2.gz WVJDKPHDMMMYOS-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139403484 355876847 /nfs/dbraw/zinc/87/68/47/355876847.db2.gz ZIBSOIXGWPCJNJ-QGZVFWFLSA-N 1 0 318.465 2.378 20 10 DECDRO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccc(F)cc1 ZINC000592493863 357886054 /nfs/dbraw/zinc/88/60/54/357886054.db2.gz CJHWALKUFFONME-LLVKDONJSA-N 1 0 302.353 2.135 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000076074388 283297533 /nfs/dbraw/zinc/29/75/33/283297533.db2.gz FYLUBMQBVUOMAS-CYBMUJFWSA-N 1 0 321.421 2.227 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218394 193174910 /nfs/dbraw/zinc/17/49/10/193174910.db2.gz VZJCSYNTJYWLOY-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000125697546 285392529 /nfs/dbraw/zinc/39/25/29/285392529.db2.gz VCWYUTPEJJBSOE-ZDUSSCGKSA-N 1 0 310.825 2.342 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294697172 533479091 /nfs/dbraw/zinc/47/90/91/533479091.db2.gz CTWWFESGBIBNRM-ZDUSSCGKSA-N 1 0 308.378 2.063 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000274277829 130224249 /nfs/dbraw/zinc/22/42/49/130224249.db2.gz NIRADZJIIDXZDY-LJQANCHMSA-N 1 0 324.428 2.315 20 10 DECDRO CSC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298587217 132069567 /nfs/dbraw/zinc/06/95/67/132069567.db2.gz KBPWJYQDJIVVIE-INIZCTEOSA-N 1 0 321.490 2.196 20 10 DECDRO CC(C)CNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298699791 132074001 /nfs/dbraw/zinc/07/40/01/132074001.db2.gz GQPFEVMKPXXYLJ-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO CC(C)N(CCS(C)(=O)=O)Cc1ccc(N(C)C)c(F)c1 ZINC000131682056 401854789 /nfs/dbraw/zinc/85/47/89/401854789.db2.gz DHMJPLFKZQBZIY-UHFFFAOYSA-N 1 0 316.442 2.147 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000121124043 402016528 /nfs/dbraw/zinc/01/65/28/402016528.db2.gz KBBMDLZXKGKOPI-ZDUSSCGKSA-N 1 0 303.406 2.018 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616078 402006195 /nfs/dbraw/zinc/00/61/95/402006195.db2.gz RVGZBDSJJYTZKW-LJQANCHMSA-N 1 0 315.461 2.193 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(F)cc1 ZINC000109772656 402276207 /nfs/dbraw/zinc/27/62/07/402276207.db2.gz AKXDJQBLQLCUNT-HNNXBMFYSA-N 1 0 305.349 2.403 20 10 DECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000184683190 402291623 /nfs/dbraw/zinc/29/16/23/402291623.db2.gz DMEPZUPSQBANRA-UHFFFAOYSA-N 1 0 314.813 2.354 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185331122 402343935 /nfs/dbraw/zinc/34/39/35/402343935.db2.gz VUFOIPDHJXTVFE-GFCCVEGCSA-N 1 0 311.447 2.356 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c1 ZINC000185578186 402362315 /nfs/dbraw/zinc/36/23/15/402362315.db2.gz PVIVKDVMGYODOC-ZDUSSCGKSA-N 1 0 314.385 2.416 20 10 DECDRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)c1O ZINC000237199153 402399237 /nfs/dbraw/zinc/39/92/37/402399237.db2.gz NDLYVKRMIVJZLC-UHFFFAOYSA-N 1 0 314.385 2.229 20 10 DECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177420911 402400142 /nfs/dbraw/zinc/40/01/42/402400142.db2.gz NAIRHHYJMJWRFT-INIZCTEOSA-N 1 0 309.337 2.119 20 10 DECDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000186102685 402402108 /nfs/dbraw/zinc/40/21/08/402402108.db2.gz BTMBHQWRPLYINW-OLZOCXBDSA-N 1 0 316.405 2.104 20 10 DECDRO C[C@H]1CCC[C@@](CNC(=O)Cc2ccc(N)cc2)([NH+](C)C)C1 ZINC000237528885 402411309 /nfs/dbraw/zinc/41/13/09/402411309.db2.gz YERPGFMFEFMIJP-KBXCAEBGSA-N 1 0 303.450 2.438 20 10 DECDRO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245689039 402480190 /nfs/dbraw/zinc/48/01/90/402480190.db2.gz LIVHKYIIQBXOFA-FRRDWIJNSA-N 1 0 306.406 2.018 20 10 DECDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1n1ccnc1 ZINC000246676660 402540277 /nfs/dbraw/zinc/54/02/77/402540277.db2.gz QSVCFCBOYXSXPM-GXTWGEPZSA-N 1 0 315.373 2.401 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000179466437 402590807 /nfs/dbraw/zinc/59/08/07/402590807.db2.gz KAXMJRUUVGOBMA-CQSZACIVSA-N 1 0 302.378 2.220 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952802 402604315 /nfs/dbraw/zinc/60/43/15/402604315.db2.gz DRZUPTUILHQZRW-CYBMUJFWSA-N 1 0 311.223 2.435 20 10 DECDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000173309034 402691774 /nfs/dbraw/zinc/69/17/74/402691774.db2.gz MTMLMKDOYZDZKZ-INIZCTEOSA-N 1 0 318.465 2.236 20 10 DECDRO C[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173392720 402695652 /nfs/dbraw/zinc/69/56/52/402695652.db2.gz PMVOWUNRQYFXFW-UHFFFAOYSA-N 1 0 317.433 2.164 20 10 DECDRO C[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000174341678 402737379 /nfs/dbraw/zinc/73/73/79/402737379.db2.gz DKTHLGYJUSOVAG-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000263671276 402789257 /nfs/dbraw/zinc/78/92/57/402789257.db2.gz CASNPKFZHXMOFH-CQSZACIVSA-N 1 0 318.465 2.208 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000263688898 402791574 /nfs/dbraw/zinc/79/15/74/402791574.db2.gz OIPQPEZIJXTZAP-AWEZNQCLSA-N 1 0 319.376 2.481 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1C ZINC000278478752 402866830 /nfs/dbraw/zinc/86/68/30/402866830.db2.gz JBEAEQSZDGPCEU-MRXNPFEDSA-N 1 0 314.433 2.496 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1F ZINC000278560871 402868211 /nfs/dbraw/zinc/86/82/11/402868211.db2.gz FLKULMMSNAVMCB-INIZCTEOSA-N 1 0 305.397 2.135 20 10 DECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(F)ccc1O ZINC000278811843 402874001 /nfs/dbraw/zinc/87/40/01/402874001.db2.gz XIEYJEDCLCEHJL-ZDUSSCGKSA-N 1 0 308.397 2.216 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000278847468 402877699 /nfs/dbraw/zinc/87/76/99/402877699.db2.gz QBXPZQBQGKZUNY-JCGVRSQUSA-N 1 0 305.418 2.462 20 10 DECDRO COc1cc(O)c(C[NH2+]CCC(=O)OC(C)(C)C)cc1OC ZINC000271823076 402884505 /nfs/dbraw/zinc/88/45/05/402884505.db2.gz NHJKWYULACDZKP-UHFFFAOYSA-N 1 0 311.378 2.231 20 10 DECDRO C[C@@H](CCO)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000271829583 402884758 /nfs/dbraw/zinc/88/47/58/402884758.db2.gz OPOIOEQFKBOXLH-LBPRGKRZSA-N 1 0 307.390 2.399 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1 ZINC000279469967 402946101 /nfs/dbraw/zinc/94/61/01/402946101.db2.gz JUNAHOCUWURKGZ-GFCCVEGCSA-N 1 0 302.374 2.259 20 10 DECDRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C)cc1O ZINC000280115266 402967333 /nfs/dbraw/zinc/96/73/33/402967333.db2.gz NUYSXOWJFBALRS-AWEZNQCLSA-N 1 0 314.451 2.069 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280250118 402979791 /nfs/dbraw/zinc/97/97/91/402979791.db2.gz KZZAVKXUWFWJAY-SUMWQHHRSA-N 1 0 307.390 2.171 20 10 DECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000281205300 403060654 /nfs/dbraw/zinc/06/06/54/403060654.db2.gz SGYQKQFADMJYIZ-CYBMUJFWSA-N 1 0 310.463 2.371 20 10 DECDRO CSCCC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000281208968 403060715 /nfs/dbraw/zinc/06/07/15/403060715.db2.gz AZIFTGJGHDDRFO-UHFFFAOYSA-N 1 0 323.506 2.396 20 10 DECDRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000268735875 403111211 /nfs/dbraw/zinc/11/12/11/403111211.db2.gz DFWZEKZRQOGJIH-CZUORRHYSA-N 1 0 310.463 2.228 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)Cn1cccn1 ZINC000282428847 403153060 /nfs/dbraw/zinc/15/30/60/403153060.db2.gz JXYFYYVMUAETLE-MRXNPFEDSA-N 1 0 303.406 2.252 20 10 DECDRO Cc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1N(C)C ZINC000294230184 403677973 /nfs/dbraw/zinc/67/79/73/403677973.db2.gz SSRRUMIYEBKEBD-CRAIPNDOSA-N 1 0 304.434 2.441 20 10 DECDRO C[C@H]([NH2+]C1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294976796 403738733 /nfs/dbraw/zinc/73/87/33/403738733.db2.gz GTROANAIMXDIRC-BBRMVZONSA-N 1 0 318.417 2.040 20 10 DECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000288363019 403746713 /nfs/dbraw/zinc/74/67/13/403746713.db2.gz KUFCUUASJTYSIW-LGVMCUBASA-N 1 0 316.401 2.196 20 10 DECDRO O=C([C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1)N1CCCC1 ZINC000290297847 404115147 /nfs/dbraw/zinc/11/51/47/404115147.db2.gz AZLHLBRICFXUMX-LBPRGKRZSA-N 1 0 308.809 2.490 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[NH+](C)C ZINC000355597453 404352385 /nfs/dbraw/zinc/35/23/85/404352385.db2.gz HZVXUJYBAGBBNO-GFCCVEGCSA-N 1 0 302.422 2.236 20 10 DECDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000296547658 404300317 /nfs/dbraw/zinc/30/03/17/404300317.db2.gz MQDXFNUPTQTTHA-UHFFFAOYSA-N 1 0 324.377 2.077 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000297319141 404551849 /nfs/dbraw/zinc/55/18/49/404551849.db2.gz ZNORXDYPHLBPRV-QGZVFWFLSA-N 1 0 304.434 2.259 20 10 DECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292014421 404628303 /nfs/dbraw/zinc/62/83/03/404628303.db2.gz NQZXJTBMIDJYCL-BUUCAEBMSA-N 1 0 306.406 2.348 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378418183 227214637 /nfs/dbraw/zinc/21/46/37/227214637.db2.gz COKIULPRUVMTGB-RHSMWYFYSA-N 1 0 307.390 2.219 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418093722 229217985 /nfs/dbraw/zinc/21/79/85/229217985.db2.gz CGWCAKYAMLLEBQ-DZGCQCFKSA-N 1 0 314.433 2.426 20 10 DECDRO CC[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]C1 ZINC000370844236 332267682 /nfs/dbraw/zinc/26/76/82/332267682.db2.gz BICCNOUATHIWOL-GOSISDBHSA-N 1 0 301.434 2.293 20 10 DECDRO CC1(C)[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]2CCCO[C@H]21 ZINC000360035889 337084093 /nfs/dbraw/zinc/08/40/93/337084093.db2.gz LJQXUCPSDRSAHV-IUIKQTSFSA-N 1 0 305.374 2.414 20 10 DECDRO CC[NH2+]CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000583073586 337235947 /nfs/dbraw/zinc/23/59/47/337235947.db2.gz VFIAGGYAEFDENX-UHFFFAOYSA-N 1 0 302.422 2.286 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)C2CCN(C)CC2)cc1 ZINC000835024448 649867570 /nfs/dbraw/zinc/86/75/70/649867570.db2.gz APJPCMKCUPJOEH-SNAWJCMRSA-N 1 0 317.477 2.154 20 10 DECDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(OC)ccc2O)C1(C)C ZINC000188900361 520559838 /nfs/dbraw/zinc/55/98/38/520559838.db2.gz GJPIPJBRGUDMFK-RDJZCZTQSA-N 1 0 309.406 2.057 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCCn2ccnc2C)cc1OC ZINC000160459729 522770312 /nfs/dbraw/zinc/77/03/12/522770312.db2.gz MVHQJVFLCXKJIP-UHFFFAOYSA-N 1 0 319.405 2.436 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000370368220 534774135 /nfs/dbraw/zinc/77/41/35/534774135.db2.gz SKUIWNSZNMXSMM-VFADXPBXSA-N 1 0 316.401 2.198 20 10 DECDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCC(C)CC1 ZINC000180714548 524367874 /nfs/dbraw/zinc/36/78/74/524367874.db2.gz KPODRJXKMHBCOD-YVARQFDVSA-N 1 0 318.417 2.348 20 10 DECDRO Cc1cc(C(=O)NCCC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000120978552 526266305 /nfs/dbraw/zinc/26/63/05/526266305.db2.gz KNRJIRVPMJNVIK-UHFFFAOYSA-N 1 0 300.406 2.171 20 10 DECDRO CC(C)[NH+]1CCC(N(C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000298175865 535153380 /nfs/dbraw/zinc/15/33/80/535153380.db2.gz VSYCAGQAADOTQD-UHFFFAOYSA-N 1 0 306.406 2.426 20 10 DECDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000274835904 536846402 /nfs/dbraw/zinc/84/64/02/536846402.db2.gz VGMSPFBTAMESHY-CQSZACIVSA-N 1 0 302.422 2.446 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000835040394 649870438 /nfs/dbraw/zinc/87/04/38/649870438.db2.gz CAKIYTJMJLAQTL-ARJAWSKDSA-N 1 0 322.474 2.180 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835074708 649875714 /nfs/dbraw/zinc/87/57/14/649875714.db2.gz TVHQTVSKFXFARZ-UKRRQHHQSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000175422152 623149576 /nfs/dbraw/zinc/14/95/76/623149576.db2.gz KFFVCOXCSBQQQM-UHFFFAOYSA-N 1 0 312.417 2.313 20 10 DECDRO COc1ccc(C[NH2+]Cc2c(C)nn(C)c2C)c(O)c1OC ZINC000892847751 625659307 /nfs/dbraw/zinc/65/93/07/625659307.db2.gz YOHPVQGSXFNFDA-UHFFFAOYSA-N 1 0 305.378 2.050 20 10 DECDRO COc1cc(CN2CC[NH+](C3CCOCC3)CC2)c(O)cc1C ZINC000160348295 623646861 /nfs/dbraw/zinc/64/68/61/623646861.db2.gz AEGWDRNEKGHCCS-UHFFFAOYSA-N 1 0 320.433 2.006 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)COC(C)(C)C)[NH+](C)C)cc1 ZINC000891248679 623794671 /nfs/dbraw/zinc/79/46/71/623794671.db2.gz MUYVSFXPTKSYSB-INIZCTEOSA-N 1 0 321.465 2.287 20 10 DECDRO COCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252712 623798055 /nfs/dbraw/zinc/79/80/55/623798055.db2.gz MVPRJMQNHJPHKI-INIZCTEOSA-N 1 0 321.465 2.144 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)C2=CCCCO2)[NH+](C)C)cc1 ZINC000891252389 623799215 /nfs/dbraw/zinc/79/92/15/623799215.db2.gz KINVBQCZCVQLBG-MRXNPFEDSA-N 1 0 317.433 2.166 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000891258147 623804714 /nfs/dbraw/zinc/80/47/14/623804714.db2.gz OLKDNTLVEYSNEW-KRWDZBQOSA-N 1 0 312.417 2.180 20 10 DECDRO CC(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891445648 624186549 /nfs/dbraw/zinc/18/65/49/624186549.db2.gz RBTPITSFIQRVSN-INIZCTEOSA-N 1 0 306.454 2.311 20 10 DECDRO COc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)ccn1 ZINC000892920607 625713900 /nfs/dbraw/zinc/71/39/00/625713900.db2.gz YFDGAMANKSLZBT-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(O)c1OC ZINC000891905837 624656407 /nfs/dbraw/zinc/65/64/07/624656407.db2.gz SQAYBLYZFJKBLS-AWEZNQCLSA-N 1 0 317.389 2.443 20 10 DECDRO OCC[N@H+](CCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000093389834 624673766 /nfs/dbraw/zinc/67/37/66/624673766.db2.gz VRTWNESHFXTDKY-UHFFFAOYSA-N 1 0 315.369 2.158 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000892069439 624768640 /nfs/dbraw/zinc/76/86/40/624768640.db2.gz KOIYFLRCNSJXQF-UONOGXRCSA-N 1 0 323.824 2.472 20 10 DECDRO CC1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000893398501 633339658 /nfs/dbraw/zinc/33/96/58/633339658.db2.gz XZEIVALVPGAGJS-PUJMQQBBSA-N 1 0 318.465 2.453 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]([NH2+]CCF)C2)cc1 ZINC001001033441 635392745 /nfs/dbraw/zinc/39/27/45/635392745.db2.gz XOTDYKFDANQPFK-CYBMUJFWSA-N 1 0 321.356 2.013 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)c(O)c1 ZINC000840955199 635597215 /nfs/dbraw/zinc/59/72/15/635597215.db2.gz RXWMYJCSWCSFPC-UHFFFAOYSA-N 1 0 301.390 2.473 20 10 DECDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066989093 635655001 /nfs/dbraw/zinc/65/50/01/635655001.db2.gz MRYPFQHWDPMMQO-HNNXBMFYSA-N 1 0 310.413 2.159 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000922056278 635830972 /nfs/dbraw/zinc/83/09/72/635830972.db2.gz XOAZRVOJLXKINQ-HEHGZKQESA-N 1 0 304.438 2.205 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000840971668 635959272 /nfs/dbraw/zinc/95/92/72/635959272.db2.gz SEATVSMMJBMITI-OCCSQVGLSA-N 1 0 301.333 2.429 20 10 DECDRO Cn1cc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922200258 635991693 /nfs/dbraw/zinc/99/16/93/635991693.db2.gz BORAMSOKCFZPAR-AEFFLSMTSA-N 1 0 313.401 2.365 20 10 DECDRO O=C(NCc1c(O)cccc1F)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000922203828 635994766 /nfs/dbraw/zinc/99/47/66/635994766.db2.gz DXPRFGVIFUIGIO-CYBMUJFWSA-N 1 0 321.396 2.347 20 10 DECDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000840979026 636015573 /nfs/dbraw/zinc/01/55/73/636015573.db2.gz RBEXGIOMXGYMAY-RDJZCZTQSA-N 1 0 304.434 2.116 20 10 DECDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CS1(=O)=O ZINC000922244499 636029365 /nfs/dbraw/zinc/02/93/65/636029365.db2.gz NMOXTUWOJCPCJD-IUODEOHRSA-N 1 0 309.431 2.067 20 10 DECDRO Cc1nnc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000922410286 636161566 /nfs/dbraw/zinc/16/15/66/636161566.db2.gz LSIMHWQKCYLDAB-HOCLYGCPSA-N 1 0 315.421 2.047 20 10 DECDRO CCOc1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c(O)c1 ZINC000922596798 636274233 /nfs/dbraw/zinc/27/42/33/636274233.db2.gz GOTGLCROPNYWMA-UHFFFAOYSA-N 1 0 321.417 2.202 20 10 DECDRO COc1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1C ZINC000922597375 636274542 /nfs/dbraw/zinc/27/45/42/636274542.db2.gz PWDDKKFYYLBTOL-UHFFFAOYSA-N 1 0 305.418 2.415 20 10 DECDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2C)cc1Cn1cccn1 ZINC000922637724 636289215 /nfs/dbraw/zinc/28/92/15/636289215.db2.gz BHPZVLUSTMPIQP-CJNGLKHVSA-N 1 0 301.390 2.065 20 10 DECDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000894202556 636409091 /nfs/dbraw/zinc/40/90/91/636409091.db2.gz JZENXWVMIRKWAM-QGZVFWFLSA-N 1 0 322.424 2.301 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1O ZINC000922810737 636416328 /nfs/dbraw/zinc/41/63/28/636416328.db2.gz QVWJCEPCOMXZQB-AWEZNQCLSA-N 1 0 307.390 2.219 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CCC3(OC)OC)CC2)cc1 ZINC000924904503 636507058 /nfs/dbraw/zinc/50/70/58/636507058.db2.gz BQAOICPUNYEYSM-KRWDZBQOSA-N 1 0 320.433 2.405 20 10 DECDRO COC(=O)[C@H]1[C@H](C[NH2+]CCCSc2nccs2)C1(F)F ZINC000894303051 636755892 /nfs/dbraw/zinc/75/58/92/636755892.db2.gz GDRWZUGWPAJTBL-DTWKUNHWSA-N 1 0 322.402 2.269 20 10 DECDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cnn(C)c1 ZINC000922894423 636756843 /nfs/dbraw/zinc/75/68/43/636756843.db2.gz KMHNZWFELJOAHX-MRXNPFEDSA-N 1 0 303.362 2.341 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH+](C)C)CC1 ZINC000923014398 636912034 /nfs/dbraw/zinc/91/20/34/636912034.db2.gz DICAEBJNPYOHKQ-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO CC[C@@H](O)CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894352730 636926480 /nfs/dbraw/zinc/92/64/80/636926480.db2.gz RQOPNGLRHGDNFL-GFCCVEGCSA-N 1 0 322.380 2.355 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCOc2ncccc2F)c1O ZINC000894358755 636938060 /nfs/dbraw/zinc/93/80/60/636938060.db2.gz JEVODZUEPUFOPB-UHFFFAOYSA-N 1 0 306.337 2.412 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1(F)F ZINC000894782141 637210321 /nfs/dbraw/zinc/21/03/21/637210321.db2.gz JPBDJEMSDBHUQY-KDDOJWQBSA-N 1 0 315.316 2.106 20 10 DECDRO COc1ccc(C[NH2+]CCc2ccc(C)cn2)c(O)c1OC ZINC000894807281 637218902 /nfs/dbraw/zinc/21/89/02/637218902.db2.gz RJTONOIIIOHVGY-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000895007039 637378994 /nfs/dbraw/zinc/37/89/94/637378994.db2.gz GTZMLKYOINEMPX-JTQLQIEISA-N 1 0 322.796 2.470 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C2)cc1 ZINC000895006904 637379193 /nfs/dbraw/zinc/37/91/93/637379193.db2.gz WFTBTSXPDSHRAX-HIFRSBDPSA-N 1 0 306.406 2.063 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C2)cc1 ZINC000895006906 637379367 /nfs/dbraw/zinc/37/93/67/637379367.db2.gz WFTBTSXPDSHRAX-ZFWWWQNUSA-N 1 0 306.406 2.063 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000895008457 637381981 /nfs/dbraw/zinc/38/19/81/637381981.db2.gz YJUKHTPRVLRKGX-LBPRGKRZSA-N 1 0 302.378 2.207 20 10 DECDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000838028613 637384496 /nfs/dbraw/zinc/38/44/96/637384496.db2.gz ASCKFOXFMSAAFA-AWEZNQCLSA-N 1 0 322.428 2.127 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1O ZINC000895024349 637392616 /nfs/dbraw/zinc/39/26/16/637392616.db2.gz HHEWPKSEZFKFLB-UHFFFAOYSA-N 1 0 323.433 2.367 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071927 637487568 /nfs/dbraw/zinc/48/75/68/637487568.db2.gz XWGINRXYVJHZNG-UHFFFAOYSA-N 1 0 317.364 2.318 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3nccnc3Cl)cc2)CC1 ZINC000895145730 637663677 /nfs/dbraw/zinc/66/36/77/637663677.db2.gz YNZUUYMDVIJMIJ-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000895184728 637765647 /nfs/dbraw/zinc/76/56/47/637765647.db2.gz VUHBETCURHUYQM-KFWWJZLASA-N 1 0 322.449 2.297 20 10 DECDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000314642422 637771979 /nfs/dbraw/zinc/77/19/79/637771979.db2.gz CAWKMQBNTCUWPJ-UHFFFAOYSA-N 1 0 303.450 2.390 20 10 DECDRO Fc1cc(C[NH2+][C@H]2CCCOC2)cc(F)c1N1CCOCC1 ZINC000839146633 637789004 /nfs/dbraw/zinc/78/90/04/637789004.db2.gz PEHJYZYDQTYJGR-ZDUSSCGKSA-N 1 0 312.360 2.070 20 10 DECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741140383 637942554 /nfs/dbraw/zinc/94/25/54/637942554.db2.gz QDBSDIGOPNXNCV-CHWSQXEVSA-N 1 0 307.413 2.381 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3cncn3C)CC2)cc1 ZINC000237262950 637984123 /nfs/dbraw/zinc/98/41/23/637984123.db2.gz QYFCEKKDVXFVCX-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840921255 650383400 /nfs/dbraw/zinc/38/34/00/650383400.db2.gz PROODLBRNXZNDW-MRXNPFEDSA-N 1 0 303.450 2.361 20 10 DECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895476991 638045122 /nfs/dbraw/zinc/04/51/22/638045122.db2.gz OPKPGRKCVHLNKR-LBPRGKRZSA-N 1 0 307.390 2.340 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000895694183 638147709 /nfs/dbraw/zinc/14/77/09/638147709.db2.gz FGCWMPFLIJZITG-UHFFFAOYSA-N 1 0 307.390 2.172 20 10 DECDRO CCOc1cccc(C[N@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000840977769 650399059 /nfs/dbraw/zinc/39/90/59/650399059.db2.gz LXPGMMVRMVMWFB-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000895847204 638230558 /nfs/dbraw/zinc/23/05/58/638230558.db2.gz MXEMZDICPZKOKT-FZMZJTMJSA-N 1 0 322.361 2.310 20 10 DECDRO COc1cc(C)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895918875 638266557 /nfs/dbraw/zinc/26/65/57/638266557.db2.gz CDIHYTIASHUNHH-JHJVBQTASA-N 1 0 306.406 2.149 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000745786080 638289784 /nfs/dbraw/zinc/28/97/84/638289784.db2.gz DOHFIDRYENXQPQ-JSGCOSHPSA-N 1 0 322.428 2.174 20 10 DECDRO COc1cc(C)nc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841041723 650411803 /nfs/dbraw/zinc/41/18/03/650411803.db2.gz AVMVTSKGSYVEOS-GOSISDBHSA-N 1 0 314.433 2.254 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896398162 638502800 /nfs/dbraw/zinc/50/28/00/638502800.db2.gz YPXFWQNXBZIVTL-WMLDXEAASA-N 1 0 304.390 2.411 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000896524683 638563555 /nfs/dbraw/zinc/56/35/55/638563555.db2.gz YNTQAJLNWLUUMA-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO COc1cccc(O)c1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000841104529 650432185 /nfs/dbraw/zinc/43/21/85/650432185.db2.gz UKXSYHBJYBLUOF-GOEBONIOSA-N 1 0 316.376 2.467 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C[C@H]3C[C@@H]3C)CC2)cc1 ZINC000754119557 639390239 /nfs/dbraw/zinc/39/02/39/639390239.db2.gz CUJWFCZQIKZKHC-JKSUJKDBSA-N 1 0 303.450 2.063 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](C)C[NH3+])c2C)cc1 ZINC000237304476 639440460 /nfs/dbraw/zinc/44/04/60/639440460.db2.gz UWPABQWGWZWMBB-GFCCVEGCSA-N 1 0 315.417 2.427 20 10 DECDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305121566 639461014 /nfs/dbraw/zinc/46/10/14/639461014.db2.gz JSQWYUYYCDDPIT-DZGCQCFKSA-N 1 0 310.413 2.474 20 10 DECDRO COC(=O)CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000756133250 639628810 /nfs/dbraw/zinc/62/88/10/639628810.db2.gz VWNFVAGTHSDIJJ-UHFFFAOYSA-N 1 0 321.373 2.477 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCN2CCO[C@H](C)C2)c2c1c(F)ccc2O ZINC000756547345 639672408 /nfs/dbraw/zinc/67/24/08/639672408.db2.gz ZXKCZTBUOMFDOJ-OUCADQQQSA-N 1 0 308.397 2.390 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000756553958 639673737 /nfs/dbraw/zinc/67/37/37/639673737.db2.gz NKRJXFKUTGVDJR-STQMWFEESA-N 1 0 306.406 2.171 20 10 DECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756592943 639678322 /nfs/dbraw/zinc/67/83/22/639678322.db2.gz KFHIRWXMUBMDQJ-GXSJLCMTSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756659271 639683671 /nfs/dbraw/zinc/68/36/71/639683671.db2.gz CFAMQQWZUPKJEL-HTQZYQBOSA-N 1 0 301.184 2.069 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654982 650530159 /nfs/dbraw/zinc/53/01/59/650530159.db2.gz QTHNOICLWRGMQN-BBRMVZONSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000841718948 650551462 /nfs/dbraw/zinc/55/14/62/650551462.db2.gz YQYWHFVKHWDUPM-RHSMWYFYSA-N 1 0 318.465 2.330 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCc1ccc(N)cc1 ZINC000841734845 650553841 /nfs/dbraw/zinc/55/38/41/650553841.db2.gz UKWIDRGDGFSFRO-GJZGRUSLSA-N 1 0 318.465 2.231 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759828 650558541 /nfs/dbraw/zinc/55/85/41/650558541.db2.gz IQUAUBCHZVAOTK-ZDUSSCGKSA-N 1 0 310.417 2.064 20 10 DECDRO CN1CCCc2cc(CNC(=O)N3CCCC[C@H]3C[NH3+])ccc21 ZINC000841759503 650558578 /nfs/dbraw/zinc/55/85/78/650558578.db2.gz OHTNEJVLWMGJKB-INIZCTEOSA-N 1 0 316.449 2.092 20 10 DECDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794078 650565676 /nfs/dbraw/zinc/56/56/76/650565676.db2.gz SZELGEPITSXYNI-UHFFFAOYSA-N 1 0 318.465 2.332 20 10 DECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761223896 640287929 /nfs/dbraw/zinc/28/79/29/640287929.db2.gz UHKUAPMUWRXVJD-JSGCOSHPSA-N 1 0 315.797 2.338 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000841829213 650574051 /nfs/dbraw/zinc/57/40/51/650574051.db2.gz YOWSUPMOOXCPEK-UHFFFAOYSA-N 1 0 306.454 2.187 20 10 DECDRO C[C@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000841854521 650580712 /nfs/dbraw/zinc/58/07/12/650580712.db2.gz RBONGBSMSRHWSZ-ZDUSSCGKSA-N 1 0 306.454 2.087 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841856957 650582196 /nfs/dbraw/zinc/58/21/96/650582196.db2.gz MCMSQUMHMSOEHD-WDEREUQCSA-N 1 0 314.480 2.004 20 10 DECDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1[NH3+] ZINC000841858573 650582560 /nfs/dbraw/zinc/58/25/60/650582560.db2.gz ZZODDXQJGKULEL-MNOVXSKESA-N 1 0 314.480 2.004 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2ncc(F)cn2)[NH+](C)C)cc1 ZINC000897522303 640538295 /nfs/dbraw/zinc/53/82/95/640538295.db2.gz LLAOQWMUFZWBTL-OAHLLOKOSA-N 1 0 303.385 2.397 20 10 DECDRO C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000764466298 640641043 /nfs/dbraw/zinc/64/10/43/640641043.db2.gz XFPZUDHYPZLHTA-CZUORRHYSA-N 1 0 301.434 2.025 20 10 DECDRO CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000030143459 640723699 /nfs/dbraw/zinc/72/36/99/640723699.db2.gz ZPFAAHJTHGULRM-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841924840 650603524 /nfs/dbraw/zinc/60/35/24/650603524.db2.gz FKJSNQHYLVNMNR-UHFFFAOYSA-N 1 0 313.401 2.235 20 10 DECDRO CC[NH2+]CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841934701 650605721 /nfs/dbraw/zinc/60/57/21/650605721.db2.gz HFEWYEOCPTUBKZ-UHFFFAOYSA-N 1 0 317.389 2.307 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841936387 650606457 /nfs/dbraw/zinc/60/64/57/650606457.db2.gz HPHYPBIACYTNLO-OAHLLOKOSA-N 1 0 305.422 2.456 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841936384 650606482 /nfs/dbraw/zinc/60/64/82/650606482.db2.gz HPHYPBIACYTNLO-HNNXBMFYSA-N 1 0 305.422 2.456 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000841943260 650608146 /nfs/dbraw/zinc/60/81/46/650608146.db2.gz IKQRZJRPFCADGS-MRXNPFEDSA-N 1 0 306.454 2.267 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)ccc1OC ZINC000765799525 640820417 /nfs/dbraw/zinc/82/04/17/640820417.db2.gz YIZAEGXHKGAUHN-JKSUJKDBSA-N 1 0 320.433 2.236 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000765978183 640835679 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Oc1cc2c(cc1C[N@@H+]1CCc3ccsc3C1)[C@H](O)CO2 ZINC000768466254 641085746 /nfs/dbraw/zinc/08/57/46/641085746.db2.gz WWVRNFOYRVMRMK-CQSZACIVSA-N 1 0 303.383 2.438 20 10 DECDRO O=S1(=O)CCC(CC[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000768652260 641110394 /nfs/dbraw/zinc/11/03/94/641110394.db2.gz VQBMTFKJIXUNMX-UHFFFAOYSA-N 1 0 317.838 2.350 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000768912903 641142787 /nfs/dbraw/zinc/14/27/87/641142787.db2.gz LZVSVMJEOIHJQU-UHFFFAOYSA-N 1 0 321.417 2.481 20 10 DECDRO COc1cccc(O)c1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000769513971 641252918 /nfs/dbraw/zinc/25/29/18/641252918.db2.gz HQSXUOKNAXULET-UHFFFAOYSA-N 1 0 322.449 2.191 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(C)c(C)cc2O)CCCOC1 ZINC000770675799 641406768 /nfs/dbraw/zinc/40/67/68/641406768.db2.gz GESMYXBGKQLZMX-KRWDZBQOSA-N 1 0 307.390 2.211 20 10 DECDRO Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000898447411 641665504 /nfs/dbraw/zinc/66/55/04/641665504.db2.gz JMQGZKWWTURYAO-QGZVFWFLSA-N 1 0 302.422 2.442 20 10 DECDRO Cc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000898447410 641665609 /nfs/dbraw/zinc/66/56/09/641665609.db2.gz JMQGZKWWTURYAO-KRWDZBQOSA-N 1 0 302.422 2.442 20 10 DECDRO O=C1C[C@]2([NH2+]Cc3ccc4c(c3)CCCO4)CCCC[C@@H]2N1 ZINC000898462103 641668416 /nfs/dbraw/zinc/66/84/16/641668416.db2.gz LVCOWRCSEXGPOO-FUHWJXTLSA-N 1 0 300.402 2.303 20 10 DECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773026531 641717980 /nfs/dbraw/zinc/71/79/80/641717980.db2.gz NPAWMVTXSDBSFW-HOTGVXAUSA-N 1 0 322.449 2.225 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372414 641765727 /nfs/dbraw/zinc/76/57/27/641765727.db2.gz SPLYEYXNINERCT-ZFWWWQNUSA-N 1 0 316.449 2.350 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000773741758 641818223 /nfs/dbraw/zinc/81/82/23/641818223.db2.gz XNPZFHWDJYOGGY-AGIUHOORSA-N 1 0 306.406 2.018 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCN(c3nccn3C)CC2)cc1 ZINC000773805228 641825173 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C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000775834925 642102957 /nfs/dbraw/zinc/10/29/57/642102957.db2.gz VXVCBHYZKYNFLP-ZQIUZPCESA-N 1 0 319.449 2.087 20 10 DECDRO Cc1cccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)c1O ZINC000775982551 642118956 /nfs/dbraw/zinc/11/89/56/642118956.db2.gz AQROUQQRYLSQDH-UHFFFAOYSA-N 1 0 305.422 2.326 20 10 DECDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000775981678 642119702 /nfs/dbraw/zinc/11/97/02/642119702.db2.gz SPRNPKXMRIZXBF-JKSUJKDBSA-N 1 0 303.450 2.048 20 10 DECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CO[C@H]1C ZINC000924760156 642128262 /nfs/dbraw/zinc/12/82/62/642128262.db2.gz OJUSFDJOQXNREB-DCGLDWPTSA-N 1 0 322.424 2.300 20 10 DECDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760158 642128337 /nfs/dbraw/zinc/12/83/37/642128337.db2.gz OJUSFDJOQXNREB-GDZNZVCISA-N 1 0 322.424 2.300 20 10 DECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924761842 642141395 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Cc1cc(Br)c(O)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000781911803 642798241 /nfs/dbraw/zinc/79/82/41/642798241.db2.gz RUUHQNFQLZTFEJ-VXGBXAGGSA-N 1 0 311.223 2.114 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000782633783 642910357 /nfs/dbraw/zinc/91/03/57/642910357.db2.gz JSUKHRCCDFIGQF-GFCCVEGCSA-N 1 0 321.421 2.245 20 10 DECDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783738958 643045014 /nfs/dbraw/zinc/04/50/14/643045014.db2.gz DHHAHLFIGQEBTI-RISCZKNCSA-N 1 0 312.207 2.277 20 10 DECDRO COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000902482108 643057106 /nfs/dbraw/zinc/05/71/06/643057106.db2.gz JFNCQIAJKAWRSL-OCCSQVGLSA-N 1 0 306.406 2.362 20 10 DECDRO C[NH+](C)CCc1ccccc1NC(=O)c1cccc(O)c1O ZINC000783857611 643061605 /nfs/dbraw/zinc/06/16/05/643061605.db2.gz IWQHZQYJRDBVNP-UHFFFAOYSA-N 1 0 300.358 2.454 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000902643104 643089651 /nfs/dbraw/zinc/08/96/51/643089651.db2.gz KIKCNOXCULQHBB-IRXDYDNUSA-N 1 0 304.434 2.040 20 10 DECDRO [NH3+]CC[C@H](NCc1cccc(Br)c1[O-])C(F)F ZINC000841074668 643206939 /nfs/dbraw/zinc/20/69/39/643206939.db2.gz PYJACEAEAVWBRO-VIFPVBQESA-N 1 0 309.154 2.227 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1OC ZINC000785989168 643308168 /nfs/dbraw/zinc/30/81/68/643308168.db2.gz SXBMHIDBIORORR-SGMGOOAPSA-N 1 0 309.406 2.391 20 10 DECDRO CC[C@@H]([NH2+]CCCc1nnnn1C)c1cc(Cl)ccc1O ZINC000903348856 643322859 /nfs/dbraw/zinc/32/28/59/643322859.db2.gz MQNCKIGBQPVWSM-GFCCVEGCSA-N 1 0 309.801 2.243 20 10 DECDRO C[C@@H]1[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CO[C@H]1C ZINC000903447829 643354699 /nfs/dbraw/zinc/35/46/99/643354699.db2.gz CWGHXCNOSHMVSU-DFEHZGFQSA-N 1 0 305.466 2.368 20 10 DECDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)cn1 ZINC000903449338 643355634 /nfs/dbraw/zinc/35/56/34/643355634.db2.gz XKUYSNMJPTUIRX-RDTXWAMCSA-N 1 0 315.465 2.440 20 10 DECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000786826606 643414213 /nfs/dbraw/zinc/41/42/13/643414213.db2.gz ILALTUNSTLIYNM-UHFFFAOYSA-N 1 0 323.439 2.376 20 10 DECDRO CCC1([NH3+])CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000903947013 643525397 /nfs/dbraw/zinc/52/53/97/643525397.db2.gz ISROUXYVLDCXOB-UHFFFAOYSA-N 1 0 321.440 2.366 20 10 DECDRO C[C@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000924795281 643578934 /nfs/dbraw/zinc/57/89/34/643578934.db2.gz MMWYAHCZQXEYTI-IEZWGBDMSA-N 1 0 315.461 2.268 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC000905024104 643774142 /nfs/dbraw/zinc/77/41/42/643774142.db2.gz IHJMJFSRAPMFRF-RBUKOAKNSA-N 1 0 314.429 2.327 20 10 DECDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044470 650875655 /nfs/dbraw/zinc/87/56/55/650875655.db2.gz CLMJBTYAKVEYSL-CQSZACIVSA-N 1 0 304.394 2.118 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@](C)(O)C(F)F)C2)cc1 ZINC000905290508 643859648 /nfs/dbraw/zinc/85/96/48/643859648.db2.gz NEHSKMABYDXLCW-MLGOLLRUSA-N 1 0 314.376 2.127 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(O)c1O ZINC000791146015 643933651 /nfs/dbraw/zinc/93/36/51/643933651.db2.gz DHSRECANHGBIMV-ZDUSSCGKSA-N 1 0 306.406 2.256 20 10 DECDRO NC(=O)c1csc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843058597 650879965 /nfs/dbraw/zinc/87/99/65/650879965.db2.gz WIARXKABRRKJFI-UHFFFAOYSA-N 1 0 301.415 2.259 20 10 DECDRO CN(C)c1ccc(C[NH2+]CC[S@@](C)=O)c(C(F)(F)F)c1 ZINC000792993258 644177586 /nfs/dbraw/zinc/17/75/86/644177586.db2.gz SRMFVRVHADGLKA-HXUWFJFHSA-N 1 0 308.369 2.240 20 10 DECDRO CCOc1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1O ZINC000843114104 650898196 /nfs/dbraw/zinc/89/81/96/650898196.db2.gz CYISZFWJNYLREE-MRXNPFEDSA-N 1 0 313.401 2.332 20 10 DECDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793046889 644184527 /nfs/dbraw/zinc/18/45/27/644184527.db2.gz DYACFNXXBKWSNZ-CQSZACIVSA-N 1 0 320.355 2.258 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC000793284891 644225854 /nfs/dbraw/zinc/22/58/54/644225854.db2.gz JEZBYCFYWWAHJC-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2O)cc1 ZINC000793388537 644244518 /nfs/dbraw/zinc/24/45/18/644244518.db2.gz PNXOFCFKFOYQSW-UHFFFAOYSA-N 1 0 301.342 2.477 20 10 DECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000794257837 644384841 /nfs/dbraw/zinc/38/48/41/644384841.db2.gz NQZXJTBMIDJYCL-XOVSCCBYSA-N 1 0 306.406 2.348 20 10 DECDRO COc1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000794378513 644405264 /nfs/dbraw/zinc/40/52/64/644405264.db2.gz WVRWDDIIKZBHSH-XQQFMLRXSA-N 1 0 306.406 2.278 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@]3(CCCOC3)C1)CCC2 ZINC000795633668 644608881 /nfs/dbraw/zinc/60/88/81/644608881.db2.gz DVBSSEIOJZTIER-GOSISDBHSA-N 1 0 303.402 2.262 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)[nH]n1 ZINC000843399266 650966492 /nfs/dbraw/zinc/96/64/92/650966492.db2.gz FCZJZQDOLSVJHV-UHFFFAOYSA-N 1 0 316.405 2.251 20 10 DECDRO COc1cccc(C[NH2+][C@H](CCO)Cc2ccccc2)c1O ZINC000799349423 645163136 /nfs/dbraw/zinc/16/31/36/645163136.db2.gz GQLSEMMUPSMCLU-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO Fc1cc(C[NH2+]CCCOC(F)F)ccc1N1CCOCC1 ZINC000800895858 645317655 /nfs/dbraw/zinc/31/76/55/645317655.db2.gz YWLSCHKEPVJUCP-UHFFFAOYSA-N 1 0 318.339 2.381 20 10 DECDRO COc1cccc(C[NH2+]Cc2cnc(C3OCCO3)s2)c1O ZINC000809740898 646273871 /nfs/dbraw/zinc/27/38/71/646273871.db2.gz FIOGGKDPFZRWFV-UHFFFAOYSA-N 1 0 322.386 2.193 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](CC(N)=O)C2CCCC2)c1O ZINC000228595114 646633400 /nfs/dbraw/zinc/63/34/00/646633400.db2.gz DFROZMZWGHBLBZ-UHFFFAOYSA-N 1 0 312.797 2.284 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCCCSc1nccs1 ZINC000151564660 646936457 /nfs/dbraw/zinc/93/64/57/646936457.db2.gz XFRWTNFEUYYQNA-UHFFFAOYSA-N 1 0 316.496 2.266 20 10 DECDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)ccc1N(C)C ZINC000815116144 646972653 /nfs/dbraw/zinc/97/26/53/646972653.db2.gz BOEXKEOLEMJCHC-SFHVURJKSA-N 1 0 304.434 2.442 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000815289906 646998135 /nfs/dbraw/zinc/99/81/35/646998135.db2.gz REMSPANJWRPBBB-MSOLQXFVSA-N 1 0 304.434 2.162 20 10 DECDRO O=C(NCCC[NH+]1CCCCC1)NCc1c(O)cccc1F ZINC000913936150 647104930 /nfs/dbraw/zinc/10/49/30/647104930.db2.gz HFJZPSHPJCLQRN-UHFFFAOYSA-N 1 0 309.385 2.207 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1C ZINC000816666162 647165575 /nfs/dbraw/zinc/16/55/75/647165575.db2.gz GEJXARNTYQUZPV-ZWKOTPCHSA-N 1 0 305.418 2.419 20 10 DECDRO C[C@@H](CNC(=O)NCc1c(O)cccc1F)[NH+]1CCCCC1 ZINC000914294408 647253536 /nfs/dbraw/zinc/25/35/36/647253536.db2.gz ZQQDKPJRTFOYIG-LBPRGKRZSA-N 1 0 309.385 2.205 20 10 DECDRO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](CC)O1 ZINC000817364556 647277348 /nfs/dbraw/zinc/27/73/48/647277348.db2.gz HRISSWLWFOBNAI-DVOMOZLQSA-N 1 0 307.390 2.207 20 10 DECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000817365416 647277359 /nfs/dbraw/zinc/27/73/59/647277359.db2.gz LMJTXHPVOPJKIW-CQSZACIVSA-N 1 0 306.406 2.106 20 10 DECDRO CNC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000817370020 647279019 /nfs/dbraw/zinc/27/90/19/647279019.db2.gz JMBXGGPUBFGDEA-ZDUSSCGKSA-N 1 0 314.385 2.122 20 10 DECDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817413262 647289281 /nfs/dbraw/zinc/28/92/81/647289281.db2.gz UYLACZKACXMTTG-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817412401 647289320 /nfs/dbraw/zinc/28/93/20/647289320.db2.gz KMELOFJUYCPIPE-JOCQHMNTSA-N 1 0 306.406 2.172 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[C@H]2COCCN2)cc1 ZINC000817890144 647372045 /nfs/dbraw/zinc/37/20/45/647372045.db2.gz XEHLZKCHVVMFKU-WBVHZDCISA-N 1 0 305.466 2.389 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnccc1N ZINC000817894212 647374008 /nfs/dbraw/zinc/37/40/08/647374008.db2.gz KWNIDZHJOUDMBX-CQSZACIVSA-N 1 0 312.417 2.182 20 10 DECDRO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817942330 647388688 /nfs/dbraw/zinc/38/86/88/647388688.db2.gz OHHBZSSPTKHQCY-HOTGVXAUSA-N 1 0 301.438 2.227 20 10 DECDRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2ccc(N)cc2)s1 ZINC000817957788 647392272 /nfs/dbraw/zinc/39/22/72/647392272.db2.gz PCBJETFDYODTAG-SNVBAGLBSA-N 1 0 305.403 2.405 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000817981363 647399647 /nfs/dbraw/zinc/39/96/47/647399647.db2.gz RLIUWYHJUJQEDV-TZMCWYRMSA-N 1 0 306.406 2.362 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)Cn3cccn3)C2)cc1 ZINC000818342718 647456669 /nfs/dbraw/zinc/45/66/69/647456669.db2.gz UXEFUYWYWYLMOW-CVEARBPZSA-N 1 0 314.433 2.396 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000818652835 647494989 /nfs/dbraw/zinc/49/49/89/647494989.db2.gz NKAJQWITMFDQED-APHBMKBZSA-N 1 0 304.438 2.383 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000818652836 647495319 /nfs/dbraw/zinc/49/53/19/647495319.db2.gz NKAJQWITMFDQED-DAXOMENPSA-N 1 0 304.438 2.383 20 10 DECDRO C[NH+](C)CCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000731871296 647516322 /nfs/dbraw/zinc/51/63/22/647516322.db2.gz AEEOWSIKFTTXCZ-UHFFFAOYSA-N 1 0 320.414 2.324 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000818964117 647550578 /nfs/dbraw/zinc/55/05/78/647550578.db2.gz LHCOCMWVDHZQKG-CYBMUJFWSA-N 1 0 320.380 2.253 20 10 DECDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C3CC3)cc2F)C[C@@H](C)O1 ZINC000818966016 647552074 /nfs/dbraw/zinc/55/20/74/647552074.db2.gz GYZRKCTYXIRIGZ-VFVRVIDISA-N 1 0 322.424 2.300 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1F ZINC000818984742 647557481 /nfs/dbraw/zinc/55/74/81/647557481.db2.gz FTAWMJGWEYESBH-INIZCTEOSA-N 1 0 307.344 2.249 20 10 DECDRO CC1CCN(c2ccc(C[NH2+]CCS(C)(=O)=O)cc2)CC1 ZINC000819039781 647570351 /nfs/dbraw/zinc/57/03/51/647570351.db2.gz SVIGZOAMEWXXGA-UHFFFAOYSA-N 1 0 310.463 2.057 20 10 DECDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000819242773 647616165 /nfs/dbraw/zinc/61/61/65/647616165.db2.gz QVOMZXCVQSRWLO-XJKSGUPXSA-N 1 0 308.422 2.107 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000840385262 647669185 /nfs/dbraw/zinc/66/91/85/647669185.db2.gz TWJZOMKUEQQULB-GJZGRUSLSA-N 1 0 320.481 2.241 20 10 DECDRO CCOC(=O)CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000823576436 648445160 /nfs/dbraw/zinc/44/51/60/648445160.db2.gz NVWXXSRRKRSWAA-MRXNPFEDSA-N 1 0 320.433 2.242 20 10 DECDRO COc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c(O)cc1C ZINC000180559861 648499694 /nfs/dbraw/zinc/49/96/94/648499694.db2.gz DWVGWQLGNLOLIS-UHFFFAOYSA-N 1 0 320.433 2.400 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(N)=O ZINC000824296975 648560977 /nfs/dbraw/zinc/56/09/77/648560977.db2.gz NEHPHDOEHMXNSS-GFCCVEGCSA-N 1 0 303.431 2.348 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1C ZINC000824451405 648590487 /nfs/dbraw/zinc/59/04/87/648590487.db2.gz VOMALZHQWHKGQI-CQSZACIVSA-N 1 0 304.390 2.283 20 10 DECDRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000824583740 648617054 /nfs/dbraw/zinc/61/70/54/648617054.db2.gz PPMIATQPWZQUFU-KRWDZBQOSA-N 1 0 314.429 2.482 20 10 DECDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824596917 648620715 /nfs/dbraw/zinc/62/07/15/648620715.db2.gz KPBSYKVZZUHJDP-OAHLLOKOSA-N 1 0 320.433 2.409 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000824597677 648621046 /nfs/dbraw/zinc/62/10/46/648621046.db2.gz UBTDYAXCWKJTOP-CQSZACIVSA-N 1 0 310.825 2.261 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000824726853 648643912 /nfs/dbraw/zinc/64/39/12/648643912.db2.gz XIMPAVSRAQKWNV-ZDUSSCGKSA-N 1 0 307.724 2.256 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1OC ZINC000825332445 648744093 /nfs/dbraw/zinc/74/40/93/648744093.db2.gz XCLCJDLQNXWTFW-OLZOCXBDSA-N 1 0 307.390 2.266 20 10 DECDRO CCC[NH+](CCC)CCCNC(=O)c1c(F)ccc(O)c1O ZINC000825713390 648804121 /nfs/dbraw/zinc/80/41/21/648804121.db2.gz AMDUDZMARNUOFY-UHFFFAOYSA-N 1 0 312.385 2.479 20 10 DECDRO Cc1cc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1Cl ZINC000825975206 648832714 /nfs/dbraw/zinc/83/27/14/648832714.db2.gz MYYZMMKMJPJXAF-LLVKDONJSA-N 1 0 317.838 2.221 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000826019418 648838995 /nfs/dbraw/zinc/83/89/95/648838995.db2.gz FDYFMSIWVNFFEU-MJGOQNOKSA-N 1 0 315.461 2.491 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000826020646 648839954 /nfs/dbraw/zinc/83/99/54/648839954.db2.gz VPMDABVFGCPFFE-SFHVURJKSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000826139784 648854468 /nfs/dbraw/zinc/85/44/68/648854468.db2.gz OCNDWDFGADPPRU-LLVKDONJSA-N 1 0 308.809 2.455 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCCCCC2)c1 ZINC000182313691 648873560 /nfs/dbraw/zinc/87/35/60/648873560.db2.gz LRTWDPZGSFHVFS-ZDUSSCGKSA-N 1 0 306.406 2.454 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1OC ZINC000827152396 648982701 /nfs/dbraw/zinc/98/27/01/648982701.db2.gz TUPXHJUONYHWIN-QGZVFWFLSA-N 1 0 307.390 2.146 20 10 DECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000827347637 649020305 /nfs/dbraw/zinc/02/03/05/649020305.db2.gz ROPIDHHGQWPUEP-UHFFFAOYSA-N 1 0 300.786 2.484 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000828667805 649207711 /nfs/dbraw/zinc/20/77/11/649207711.db2.gz UXEFOXVSGRRGGF-YLVFBTJISA-N 1 0 306.406 2.486 20 10 DECDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021844 649423466 /nfs/dbraw/zinc/42/34/66/649423466.db2.gz WXXRTGHQWYFKMG-UONOGXRCSA-N 1 0 309.429 2.208 20 10 DECDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000831133402 649542241 /nfs/dbraw/zinc/54/22/41/649542241.db2.gz WRSFSEISHKJNRH-UHFFFAOYSA-N 1 0 317.458 2.463 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831202562 649553054 /nfs/dbraw/zinc/55/30/54/649553054.db2.gz IRTIFSQMRJINSO-KGLIPLIRSA-N 1 0 306.454 2.410 20 10 DECDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000831212176 649554193 /nfs/dbraw/zinc/55/41/93/649554193.db2.gz MDPXJANKXWXEHR-NEPJUHHUSA-N 1 0 305.422 2.196 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c(O)c1 ZINC000832178800 649682289 /nfs/dbraw/zinc/68/22/89/649682289.db2.gz XELSFQYVDAZYTE-LSDHHAIUSA-N 1 0 306.406 2.315 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H]3C)cc2)CC1 ZINC000832225055 649687227 /nfs/dbraw/zinc/68/72/27/649687227.db2.gz JKVJJDBWSWYFEA-RDTXWAMCSA-N 1 0 304.434 2.257 20 10 DECDRO Cc1nc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832286349 649692374 /nfs/dbraw/zinc/69/23/74/649692374.db2.gz YFMLSQPWSDCAOL-CQSZACIVSA-N 1 0 318.446 2.256 20 10 DECDRO Cc1ccccc1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293591 649693349 /nfs/dbraw/zinc/69/33/49/649693349.db2.gz YFFZHNYWSXAVGR-GOSISDBHSA-N 1 0 311.429 2.420 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c(C)n1-c1ccccn1 ZINC000844197918 651090250 /nfs/dbraw/zinc/09/02/50/651090250.db2.gz AUWOJVYBFAPNLF-OAHLLOKOSA-N 1 0 312.417 2.359 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCCN2CCCC2=O)cc1 ZINC000844398776 651122781 /nfs/dbraw/zinc/12/27/81/651122781.db2.gz CAKMQOJNHKSKFC-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)c2c1 ZINC000844744077 651163728 /nfs/dbraw/zinc/16/37/28/651163728.db2.gz DZBGXNWIBLGYCT-RGDDPNHNSA-N 1 0 317.410 2.259 20 10 DECDRO COc1ccc(CNC(=O)NCCC[N@H+](C)CC(C)C)c(O)c1 ZINC000845310479 651231388 /nfs/dbraw/zinc/23/13/88/651231388.db2.gz GORCECLOUWXFHA-UHFFFAOYSA-N 1 0 323.437 2.178 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)cc1F ZINC000846053047 651304487 /nfs/dbraw/zinc/30/44/87/651304487.db2.gz OFSXTQHXFCAEKD-HUUCEWRRSA-N 1 0 310.413 2.254 20 10 DECDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000846174050 651313068 /nfs/dbraw/zinc/31/30/68/651313068.db2.gz WHAMHSWJGMBIKW-LBPRGKRZSA-N 1 0 314.385 2.279 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672880 651344666 /nfs/dbraw/zinc/34/46/66/651344666.db2.gz MGMJEZFKGRXBJS-QZTJIDSGSA-N 1 0 313.445 2.434 20 10 DECDRO CCc1cccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000848879999 651542454 /nfs/dbraw/zinc/54/24/54/651542454.db2.gz KQWCQSFHEVUSCR-KRWDZBQOSA-N 1 0 304.434 2.251 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1O ZINC000848892971 651549220 /nfs/dbraw/zinc/54/92/20/651549220.db2.gz LQJIDZLLNJDHDH-KRWDZBQOSA-N 1 0 306.450 2.401 20 10 DECDRO CCc1cccc(C[NH2+]CC2(OCCOC)CCOCC2)c1O ZINC000848915956 651559886 /nfs/dbraw/zinc/55/98/86/651559886.db2.gz NUNXUAHXDDAFLD-UHFFFAOYSA-N 1 0 323.433 2.256 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000848930208 651565337 /nfs/dbraw/zinc/56/53/37/651565337.db2.gz OFUYMGGEOJEILA-MRXNPFEDSA-N 1 0 320.433 2.088 20 10 DECDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)cc1 ZINC000848993305 651574166 /nfs/dbraw/zinc/57/41/66/651574166.db2.gz XWOHOSUQYTYFCU-AWEZNQCLSA-N 1 0 304.438 2.278 20 10 DECDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044089 651593535 /nfs/dbraw/zinc/59/35/35/651593535.db2.gz SVYMPXMTXVFDRT-ZIAGYGMSSA-N 1 0 304.438 2.434 20 10 DECDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850011438 651802147 /nfs/dbraw/zinc/80/21/47/651802147.db2.gz WHSPUCCJJOKZSG-NSHDSACASA-N 1 0 308.422 2.313 20 10 DECDRO COC[C@](C)(CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850172339 651850811 /nfs/dbraw/zinc/85/08/11/651850811.db2.gz APTRLUXTLYGYNV-KRWDZBQOSA-N 1 0 311.422 2.185 20 10 DECDRO COC(=O)N1CC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850200265 651860790 /nfs/dbraw/zinc/86/07/90/651860790.db2.gz UPJZCTVHYPFALA-UHFFFAOYSA-N 1 0 322.405 2.239 20 10 DECDRO COc1cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000850281100 651886246 /nfs/dbraw/zinc/88/62/46/651886246.db2.gz OSUITKANRKGVLW-XIKOKIGWSA-N 1 0 323.433 2.328 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(C)c(C)[nH]3)C2)cc1 ZINC000850347299 651905798 /nfs/dbraw/zinc/90/57/98/651905798.db2.gz PZNIFCVDCDIBCT-CQSZACIVSA-N 1 0 300.406 2.404 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)cc1 ZINC000850347382 651905812 /nfs/dbraw/zinc/90/58/12/651905812.db2.gz RNNUDFKLVJNBOP-AWEZNQCLSA-N 1 0 315.421 2.236 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4cnccn34)C2)cc1 ZINC000850347827 651906089 /nfs/dbraw/zinc/90/60/89/651906089.db2.gz YLXBARCORIMBQX-AWEZNQCLSA-N 1 0 323.400 2.106 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1COC(C)(C)O1 ZINC000851717557 652214324 /nfs/dbraw/zinc/21/43/24/652214324.db2.gz XQCMSTWBNUZYCH-QGZVFWFLSA-N 1 0 320.433 2.107 20 10 DECDRO COC(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000851841602 652256071 /nfs/dbraw/zinc/25/60/71/652256071.db2.gz VOMLKLDEKXEXGO-HNNXBMFYSA-N 1 0 309.406 2.382 20 10 DECDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149631 652267058 /nfs/dbraw/zinc/26/70/58/652267058.db2.gz QDESSMTVCNMASN-YPMHNXCESA-N 1 0 314.376 2.314 20 10 DECDRO CO[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000858186967 652274577 /nfs/dbraw/zinc/27/45/77/652274577.db2.gz GPCSUGODIZJDLF-BZNIZROVSA-N 1 0 314.376 2.172 20 10 DECDRO CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(OC)c(OC)c1 ZINC000852744540 652447679 /nfs/dbraw/zinc/44/76/79/652447679.db2.gz DIDFHOXEUKOAAT-AWEZNQCLSA-N 1 0 306.406 2.051 20 10 DECDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000852854966 652470575 /nfs/dbraw/zinc/47/05/75/652470575.db2.gz CTBFNCAGUHTICG-MRXNPFEDSA-N 1 0 301.434 2.335 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCN([C@H]3CCOC3)CC1)CCCC2 ZINC000853552490 652567229 /nfs/dbraw/zinc/56/72/29/652567229.db2.gz GULYJAYMSBPPRQ-SFHVURJKSA-N 1 0 316.445 2.178 20 10 DECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305029262 685265644 /nfs/dbraw/zinc/26/56/44/685265644.db2.gz AEMFUDWYDLFAHU-QGZVFWFLSA-N 1 0 310.413 2.303 20 10 DECDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000393748192 685453703 /nfs/dbraw/zinc/45/37/03/685453703.db2.gz LYDVJPRXHCBKFA-LBPRGKRZSA-N 1 0 302.349 2.498 20 10 DECDRO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(O)c1 ZINC000046836243 683906922 /nfs/dbraw/zinc/90/69/22/683906922.db2.gz SNOMLQGOZQDIJW-CQSZACIVSA-N 1 0 309.329 2.247 20 10 DECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccccc1O ZINC000079293190 683971963 /nfs/dbraw/zinc/97/19/63/683971963.db2.gz QMARLDNZJXHBTF-CQSZACIVSA-N 1 0 305.422 2.408 20 10 DECDRO C[C@H](CNC(=O)N(C)Cc1ccccc1O)C[NH+]1CCCC1 ZINC000080051406 683977935 /nfs/dbraw/zinc/97/79/35/683977935.db2.gz JWLNHLKSHNZBOV-CQSZACIVSA-N 1 0 305.422 2.266 20 10 DECDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000125503476 684146217 /nfs/dbraw/zinc/14/62/17/684146217.db2.gz VYQCTEXWTLPXOT-MRXNPFEDSA-N 1 0 321.440 2.046 20 10 DECDRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000193376134 685039020 /nfs/dbraw/zinc/03/90/20/685039020.db2.gz BUCZISWXFOEBRR-UHFFFAOYSA-N 1 0 312.417 2.361 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000194063192 685055133 /nfs/dbraw/zinc/05/51/33/685055133.db2.gz JQQMRNKCSGOFBN-UHFFFAOYSA-N 1 0 315.461 2.051 20 10 DECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COC[C@H]1CCCO1 ZINC000247706212 685153151 /nfs/dbraw/zinc/15/31/51/685153151.db2.gz YXGUTPWVJSWCEU-DLBZAZTESA-N 1 0 323.433 2.161 20 10 DECDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000304027733 685243839 /nfs/dbraw/zinc/24/38/39/685243839.db2.gz FIEXLVPVPBGFBG-CRAIPNDOSA-N 1 0 306.450 2.410 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000861568557 686146481 /nfs/dbraw/zinc/14/64/81/686146481.db2.gz WBUSIDUWMYHCPH-JKSUJKDBSA-N 1 0 316.449 2.009 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000861574029 686147332 /nfs/dbraw/zinc/14/73/32/686147332.db2.gz PADSHRUHYZQWMD-SWLSCSKDSA-N 1 0 322.428 2.222 20 10 DECDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000862254296 686267410 /nfs/dbraw/zinc/26/74/10/686267410.db2.gz XSHJEAKDURXVLW-ZANVPECISA-N 1 0 300.196 2.357 20 10 DECDRO COC(=O)CC1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000862401009 686292999 /nfs/dbraw/zinc/29/29/99/686292999.db2.gz ITVBBEQENZGXBS-UHFFFAOYSA-N 1 0 314.179 2.340 20 10 DECDRO Oc1c(C[NH+]2CCN(c3nccnn3)CC2)ccc2ccccc21 ZINC000862444419 686304479 /nfs/dbraw/zinc/30/44/79/686304479.db2.gz WLYVQHQIYNUSTD-UHFFFAOYSA-N 1 0 321.384 2.053 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000862503254 686312275 /nfs/dbraw/zinc/31/22/75/686312275.db2.gz OISGNNGEFLFGCR-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1F ZINC000862528202 686314662 /nfs/dbraw/zinc/31/46/62/686314662.db2.gz WFZQZUGJZYZCPJ-YPENRWOSSA-N 1 0 310.438 2.377 20 10 DECDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863545162 686519454 /nfs/dbraw/zinc/51/94/54/686519454.db2.gz JQBBTHAQHFYOGM-YCPHGPKFSA-N 1 0 321.440 2.453 20 10 DECDRO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646406 686539164 /nfs/dbraw/zinc/53/91/64/686539164.db2.gz SERFQLMFWVXEKA-PWSUYJOCSA-N 1 0 306.303 2.490 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N[C@@H]3C[C@H]3C)C2)cc1 ZINC000864469100 686731289 /nfs/dbraw/zinc/73/12/89/686731289.db2.gz MFWHFQCSOSJTMB-XJKCOSOUSA-N 1 0 302.422 2.044 20 10 DECDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000929917982 694054310 /nfs/dbraw/zinc/05/43/10/694054310.db2.gz RDISQGAMXJTZQY-GUYCJALGSA-N 1 0 318.465 2.453 20 10 DECDRO COCCc1ncc(C[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000865463912 687222008 /nfs/dbraw/zinc/22/20/08/687222008.db2.gz QGOKKWIPPHBKLM-UHFFFAOYSA-N 1 0 308.403 2.336 20 10 DECDRO COc1ccc(C[NH2+]CCOCC(=O)OC(C)(C)C)cc1C ZINC000865683584 687300825 /nfs/dbraw/zinc/30/08/25/687300825.db2.gz DDXHKVYXALADFU-UHFFFAOYSA-N 1 0 309.406 2.452 20 10 DECDRO COC(=O)c1cncc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000930217304 694114080 /nfs/dbraw/zinc/11/40/80/694114080.db2.gz VSEUWYHXIVJMQZ-NSHDSACASA-N 1 0 316.357 2.433 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369095 687603740 /nfs/dbraw/zinc/60/37/40/687603740.db2.gz RGHQQGDFNQIELA-CQSZACIVSA-N 1 0 317.393 2.309 20 10 DECDRO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016370193 687604571 /nfs/dbraw/zinc/60/45/71/687604571.db2.gz ZFUVXHSJJJGAGM-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868383843 687997387 /nfs/dbraw/zinc/99/73/87/687997387.db2.gz YREPPPJOYQKOOU-UPJWGTAASA-N 1 0 303.406 2.378 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CC(C)(C)O)C2CC2)cc1 ZINC000871974497 688905113 /nfs/dbraw/zinc/90/51/13/688905113.db2.gz HDRRZFIQWDDYIZ-KRWDZBQOSA-N 1 0 306.450 2.239 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)c1ccc(N(C)C)cc1 ZINC000872206103 688952285 /nfs/dbraw/zinc/95/22/85/688952285.db2.gz OAOXUPGPOIIWGM-KKXDTOCCSA-N 1 0 306.450 2.315 20 10 DECDRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000872757602 689085381 /nfs/dbraw/zinc/08/53/81/689085381.db2.gz GTTQPFUJUJZMOI-QXMXGUDHSA-N 1 0 305.374 2.246 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Cn1cccn1 ZINC000873063097 689152335 /nfs/dbraw/zinc/15/23/35/689152335.db2.gz JTTVMOPQHBGOGC-DOTOQJQBSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000873112993 689159942 /nfs/dbraw/zinc/15/99/42/689159942.db2.gz MGNZUBXDSOOTCR-NVXWUHKLSA-N 1 0 315.417 2.191 20 10 DECDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874353542 689392031 /nfs/dbraw/zinc/39/20/31/689392031.db2.gz WXYZZZMHIOMXQD-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000875109229 689572702 /nfs/dbraw/zinc/57/27/02/689572702.db2.gz QFNVLEZLOIPZEI-GJZGRUSLSA-N 1 0 301.390 2.044 20 10 DECDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)CC2 ZINC000876905895 689969608 /nfs/dbraw/zinc/96/96/08/689969608.db2.gz ZTOOJJHJSYQFFI-ZFDPJTLLSA-N 1 0 315.373 2.348 20 10 DECDRO Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(O)c2)c(O)c1 ZINC000876995904 689993025 /nfs/dbraw/zinc/99/30/25/689993025.db2.gz MAGGRVVVWDQSQS-UHFFFAOYSA-N 1 0 314.385 2.316 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000877056769 690009689 /nfs/dbraw/zinc/00/96/89/690009689.db2.gz WPGSJQLKYQJRQB-APWZRJJASA-N 1 0 318.461 2.288 20 10 DECDRO CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001035138056 690035584 /nfs/dbraw/zinc/03/55/84/690035584.db2.gz JIURWZFFFQSJJK-CYBMUJFWSA-N 1 0 303.366 2.063 20 10 DECDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877170242 690036319 /nfs/dbraw/zinc/03/63/19/690036319.db2.gz KTKBPHKUZQHKRC-DOTOQJQBSA-N 1 0 318.461 2.241 20 10 DECDRO CN(C)CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877497106 690132052 /nfs/dbraw/zinc/13/20/52/690132052.db2.gz FKQZPALXUQMBMS-UHFFFAOYSA-N 1 0 317.477 2.222 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)CC2)c1 ZINC000877533132 690143453 /nfs/dbraw/zinc/14/34/53/690143453.db2.gz LGCPVPWJVXJISL-VXGBXAGGSA-N 1 0 313.419 2.019 20 10 DECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)O1 ZINC000877578453 690157409 /nfs/dbraw/zinc/15/74/09/690157409.db2.gz FDAFJPPDBKTNOR-KSSFIOAISA-N 1 0 304.434 2.305 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)c(O)c1 ZINC000877588869 690159964 /nfs/dbraw/zinc/15/99/64/690159964.db2.gz AYLKIEJCDFNBNH-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000877589986 690160566 /nfs/dbraw/zinc/16/05/66/690160566.db2.gz VFIUNTXBHAFAFN-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(n4cccn4)C3)C2)cc1 ZINC000877620590 690169896 /nfs/dbraw/zinc/16/98/96/690169896.db2.gz KEWHNWOJXQQQRP-UQPPLGOBSA-N 1 0 312.417 2.464 20 10 DECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877630690 690172937 /nfs/dbraw/zinc/17/29/37/690172937.db2.gz JTOZPCZYWKQWQL-CRAIPNDOSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c(O)c1 ZINC000877646097 690178783 /nfs/dbraw/zinc/17/87/83/690178783.db2.gz CVZDGQAMYVDZQJ-SFHVURJKSA-N 1 0 315.417 2.380 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C2(C)COC2)c1O ZINC000877690576 690192103 /nfs/dbraw/zinc/19/21/03/690192103.db2.gz BDZVZQZOWOIOTN-UHFFFAOYSA-N 1 0 302.168 2.042 20 10 DECDRO CCc1cccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)c1O ZINC000877776293 690223710 /nfs/dbraw/zinc/22/37/10/690223710.db2.gz DYPXNJRVJVVQMG-UHFFFAOYSA-N 1 0 316.323 2.065 20 10 DECDRO CONC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000877785828 690228854 /nfs/dbraw/zinc/22/88/54/690228854.db2.gz IMMHTDIUOPFBQR-UHFFFAOYSA-N 1 0 312.797 2.244 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1OC ZINC000877804761 690236578 /nfs/dbraw/zinc/23/65/78/690236578.db2.gz CMZWHBCWUFHLEZ-ZLDLUXBVSA-N 1 0 307.390 2.457 20 10 DECDRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000878455312 690412353 /nfs/dbraw/zinc/41/23/53/690412353.db2.gz WCZNUKFCEFLGSH-RHSMWYFYSA-N 1 0 306.450 2.459 20 10 DECDRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1O ZINC000878848024 690512897 /nfs/dbraw/zinc/51/28/97/690512897.db2.gz DWYMRHBNFCIIEA-LBPRGKRZSA-N 1 0 317.393 2.033 20 10 DECDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c(C)c1 ZINC000879163165 690581750 /nfs/dbraw/zinc/58/17/50/690581750.db2.gz RKZQJQPTVXDRPN-GOSISDBHSA-N 1 0 306.450 2.472 20 10 DECDRO COCCCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463046 690647166 /nfs/dbraw/zinc/64/71/66/690647166.db2.gz ONPYNFNPSJVNQY-UHFFFAOYSA-N 1 0 308.422 2.252 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879650018 690699336 /nfs/dbraw/zinc/69/93/36/690699336.db2.gz XYKDVKMYWJPRJR-PWSUYJOCSA-N 1 0 316.405 2.420 20 10 DECDRO CS[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852184 691173712 /nfs/dbraw/zinc/17/37/12/691173712.db2.gz IEDAQNUDIOARGJ-CQSZACIVSA-N 1 0 321.490 2.196 20 10 DECDRO CC(C)[C@H](F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854251 691174496 /nfs/dbraw/zinc/17/44/96/691174496.db2.gz YPSZVJKEXPARTJ-INIZCTEOSA-N 1 0 307.413 2.049 20 10 DECDRO CN1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931621995 694441952 /nfs/dbraw/zinc/44/19/52/694441952.db2.gz MVPNFDLYKXGNIG-MOPGFXCFSA-N 1 0 315.461 2.192 20 10 DECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC000883283948 691471791 /nfs/dbraw/zinc/47/17/91/691471791.db2.gz ZQJIQTLECBRSMJ-WMZOPIPTSA-N 1 0 303.450 2.096 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000883374381 691492466 /nfs/dbraw/zinc/49/24/66/691492466.db2.gz AGUKMUBWMJKYEZ-KCPJHIHWSA-N 1 0 323.458 2.497 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883395972 691497044 /nfs/dbraw/zinc/49/70/44/691497044.db2.gz GIIPDPLWVAVHFD-YPMHNXCESA-N 1 0 304.390 2.062 20 10 DECDRO Oc1ccccc1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@@H]1CCCO1 ZINC000883418349 691503996 /nfs/dbraw/zinc/50/39/96/691503996.db2.gz FPZCXZRCNFUPPB-JYJNAYRXSA-N 1 0 308.397 2.073 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000884194111 691678771 /nfs/dbraw/zinc/67/87/71/691678771.db2.gz ZHRLGHNFXHBOOD-INIZCTEOSA-N 1 0 303.450 2.395 20 10 DECDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000884231960 691688397 /nfs/dbraw/zinc/68/83/97/691688397.db2.gz FKYPRBZDVWPAMU-AWEZNQCLSA-N 1 0 305.422 2.112 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)c(O)c1 ZINC000886359397 692065384 /nfs/dbraw/zinc/06/53/84/692065384.db2.gz BNLHMNXOYUWAOI-GDBMZVCRSA-N 1 0 309.406 2.322 20 10 DECDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886504235 692095904 /nfs/dbraw/zinc/09/59/04/692095904.db2.gz XQMFAXGVQITEDZ-KBPBESRZSA-N 1 0 309.429 2.208 20 10 DECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886522318 692100703 /nfs/dbraw/zinc/10/07/03/692100703.db2.gz HDTQEMWXQQMCDQ-CABCVRRESA-N 1 0 323.456 2.456 20 10 DECDRO C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1c([O-])cccc1F ZINC000886607188 692130934 /nfs/dbraw/zinc/13/09/34/692130934.db2.gz MEPVZMAHGAYXST-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCN[C@@H]3C)C2)cc1 ZINC000925702194 693326356 /nfs/dbraw/zinc/32/63/56/693326356.db2.gz AKGQNYXXQQBQOS-RKVPGOIHSA-N 1 0 303.450 2.252 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(OC)CC3)C2)cc1 ZINC000926611537 693478331 /nfs/dbraw/zinc/47/83/31/693478331.db2.gz MFZMANFAWVLQHQ-HNNXBMFYSA-N 1 0 319.449 2.137 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC3(OC)OC)C2)cc1 ZINC000926612710 693479082 /nfs/dbraw/zinc/47/90/82/693479082.db2.gz RMQPQUYCCROYHD-YOEHRIQHSA-N 1 0 320.433 2.263 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000927136699 693559641 /nfs/dbraw/zinc/55/96/41/693559641.db2.gz RVSVVVBEWSMSDG-KZULUSFZSA-N 1 0 315.417 2.389 20 10 DECDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)CO ZINC001332697776 1149881297 /nfs/dbraw/zinc/88/12/97/1149881297.db2.gz MAVHSIXQJOOJQD-YOEHRIQHSA-N 1 0 301.386 2.309 20 10 DECDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001333680204 1150078637 /nfs/dbraw/zinc/07/86/37/1150078637.db2.gz NBSVZAPPXYRUJN-AWEZNQCLSA-N 1 0 308.422 2.373 20 10 DECDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cn1 ZINC001335290108 1150393608 /nfs/dbraw/zinc/39/36/08/1150393608.db2.gz SDCPGPSQLWSJSJ-SJORKVTESA-N 1 0 300.406 2.090 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335329734 1150397227 /nfs/dbraw/zinc/39/72/27/1150397227.db2.gz NSRLFMUYBUUGIL-SFHVURJKSA-N 1 0 318.417 2.051 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001335362511 1150399658 /nfs/dbraw/zinc/39/96/58/1150399658.db2.gz YMCSZDRIIXTPGS-QGZVFWFLSA-N 1 0 312.417 2.371 20 10 DECDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(O)c1O ZINC001335368326 1150400746 /nfs/dbraw/zinc/40/07/46/1150400746.db2.gz AZFGODWUWUCTIY-IHRRRGAJSA-N 1 0 318.417 2.209 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001335697746 1150504039 /nfs/dbraw/zinc/50/40/39/1150504039.db2.gz ZGKOVWAMYXSTII-WKILWMFISA-N 1 0 318.465 2.412 20 10 DECDRO Nc1ccc(CC(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc1 ZINC001343624678 1150758010 /nfs/dbraw/zinc/75/80/10/1150758010.db2.gz WCZZNFKPCAJIHF-OAHLLOKOSA-N 1 0 301.434 2.179 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])C2CCCCC2)c1 ZINC001346056198 1150937698 /nfs/dbraw/zinc/93/76/98/1150937698.db2.gz KOOXHPGZXPQPCP-BDJLRTHQSA-N 1 0 306.406 2.486 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC001346161669 1150947110 /nfs/dbraw/zinc/94/71/10/1150947110.db2.gz DEFOXNMGNUWUQA-YJBOKZPZSA-N 1 0 316.449 2.166 20 10 DECDRO OCc1c[nH+]ccc1NCc1ccc(N2CCSCC2)cc1 ZINC001351950857 1151635924 /nfs/dbraw/zinc/63/59/24/1151635924.db2.gz UKGWICSZJKSBPU-UHFFFAOYSA-N 1 0 315.442 2.161 20 10 DECDRO [NH3+]Cc1ncc(NCc2cc(Cl)c3cccnc3c2O)cn1 ZINC001168522234 783038967 /nfs/dbraw/zinc/03/89/67/783038967.db2.gz CAAYARTYOIRKOU-UHFFFAOYSA-N 1 0 315.764 2.455 20 10 DECDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000724877880 777506463 /nfs/dbraw/zinc/50/64/63/777506463.db2.gz LMLJOQBRJCBDHH-DGCLKSJQSA-N 1 0 316.195 2.048 20 10 DECDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000948073648 783310751 /nfs/dbraw/zinc/31/07/51/783310751.db2.gz LTHUWGVRLXMXEG-FZMZJTMJSA-N 1 0 317.393 2.452 20 10 DECDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504043 790935975 /nfs/dbraw/zinc/93/59/75/790935975.db2.gz JMOUVHZNIGPCHP-QGZVFWFLSA-N 1 0 323.389 2.359 20 10 DECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001144520221 790939331 /nfs/dbraw/zinc/93/93/31/790939331.db2.gz MJKJHSXWYONQJX-ZDUSSCGKSA-N 1 0 301.342 2.239 20 10 DECDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691468079 785911870 /nfs/dbraw/zinc/91/18/70/785911870.db2.gz SKICFOXUIYJPKI-ZKANADHPSA-N 1 0 306.225 2.011 20 10 DECDRO COCC[C@@H](COC)[NH2+]Cc1ccc(Br)cc1O ZINC000691490685 786083207 /nfs/dbraw/zinc/08/32/07/786083207.db2.gz ZXQFKVPSJPUTNR-LBPRGKRZSA-N 1 0 318.211 2.296 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001132476765 788094757 /nfs/dbraw/zinc/09/47/57/788094757.db2.gz ASBPQAPVYQRDEY-NSHDSACASA-N 1 0 318.339 2.408 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001132699540 788172691 /nfs/dbraw/zinc/17/26/91/788172691.db2.gz HDZOQQROSRULCG-ZSHCYNCHSA-N 1 0 302.418 2.256 20 10 DECDRO CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134873441 789123849 /nfs/dbraw/zinc/12/38/49/789123849.db2.gz XLMBRMRRWOOBFW-CHWSQXEVSA-N 1 0 323.437 2.385 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(C)=O)C3)cc1C ZINC001094829387 793142256 /nfs/dbraw/zinc/14/22/56/793142256.db2.gz UXCYABSHAMBFEZ-BBWFWOEESA-N 1 0 302.418 2.493 20 10 DECDRO COc1cccc2c1C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)CO2 ZINC001173154584 793609461 /nfs/dbraw/zinc/60/94/61/793609461.db2.gz VTSUWVVQYXLBSH-CYBMUJFWSA-N 1 0 315.369 2.242 20 10 DECDRO CC[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N(C)C)cc1 ZINC001116350898 794951566 /nfs/dbraw/zinc/95/15/66/794951566.db2.gz QCDCYKMNAXJZDZ-LJQANCHMSA-N 1 0 319.493 2.498 20 10 DECDRO CC[C@]1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOC1 ZINC001116763836 794985043 /nfs/dbraw/zinc/98/50/43/794985043.db2.gz OJQGSSKISVHBIU-SFHVURJKSA-N 1 0 321.440 2.236 20 10 DECDRO CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001180647087 795352202 /nfs/dbraw/zinc/35/22/02/795352202.db2.gz WFANSNWMWLHDIY-UHFFFAOYSA-N 1 0 302.365 2.118 20 10 DECDRO Cc1cc(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Br ZINC001206444136 795426617 /nfs/dbraw/zinc/42/66/17/795426617.db2.gz DXVFEBACNONYEC-GHMZBOCLSA-N 1 0 317.202 2.334 20 10 DECDRO Cc1cc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Br ZINC001206444137 795426845 /nfs/dbraw/zinc/42/68/45/795426845.db2.gz DXVFEBACNONYEC-MNOVXSKESA-N 1 0 317.202 2.334 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)cc(O)c1O ZINC001204342930 795689092 /nfs/dbraw/zinc/68/90/92/795689092.db2.gz OPFYBOBQRKLIJZ-ZDUSSCGKSA-N 1 0 307.390 2.091 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c2ccccc2n1C ZINC001138252596 796187993 /nfs/dbraw/zinc/18/79/93/796187993.db2.gz MXZCFPWJKXEFQS-MSOLQXFVSA-N 1 0 302.418 2.052 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCN1C ZINC001138340582 796199999 /nfs/dbraw/zinc/19/99/99/796199999.db2.gz WGZDWUBIIXXHRM-CQSZACIVSA-N 1 0 315.461 2.227 20 10 DECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339411 796200392 /nfs/dbraw/zinc/20/03/92/796200392.db2.gz DNTUQDYQXNXGQL-BBRMVZONSA-N 1 0 316.445 2.436 20 10 DECDRO CC(=O)N1CCC2(C[NH+](Cc3ccc4c(c3)CCCN4C)C2)C1 ZINC001138358101 796205647 /nfs/dbraw/zinc/20/56/47/796205647.db2.gz MEMXXEYFEXYKCS-UHFFFAOYSA-N 1 0 313.445 2.123 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001203621465 796297973 /nfs/dbraw/zinc/29/79/73/796297973.db2.gz VENLHJDQLRGDKS-ZDUSSCGKSA-N 1 0 305.296 2.148 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](O)C[C@H]1C ZINC001139132720 796330064 /nfs/dbraw/zinc/33/00/64/796330064.db2.gz ZMJDEPSNEKBZKU-NEPJUHHUSA-N 1 0 303.358 2.152 20 10 DECDRO COc1cc(CN2CCC(C(C)=O)CC2)cc(C[NH+](C)C)c1O ZINC001139258542 796349918 /nfs/dbraw/zinc/34/99/18/796349918.db2.gz RGHZFFFVJAXWHS-UHFFFAOYSA-N 1 0 320.433 2.263 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC001140299755 796503855 /nfs/dbraw/zinc/50/38/55/796503855.db2.gz FCABMDDZAWFKTF-KRWDZBQOSA-N 1 0 317.477 2.439 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC001140466985 796526546 /nfs/dbraw/zinc/52/65/46/796526546.db2.gz OWBYYRXMLFYQAJ-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO CCn1nnc2c1[C@H](COC)CN(Cc1cc(C)ccc1O)C2 ZINC001140619730 796546573 /nfs/dbraw/zinc/54/65/73/796546573.db2.gz MBPYTSWVYZGJAZ-AWEZNQCLSA-N 1 0 316.405 2.058 20 10 DECDRO CCn1nnc2c1CCN(Cc1cc(C)ccc1O)[C@@H]2COC ZINC001140619455 796547142 /nfs/dbraw/zinc/54/71/42/796547142.db2.gz DNZDPWMWMDLYKV-OAHLLOKOSA-N 1 0 316.405 2.058 20 10 DECDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664517 796553229 /nfs/dbraw/zinc/55/32/29/796553229.db2.gz JSCIFOZAFDFQAW-CQSZACIVSA-N 1 0 306.381 2.073 20 10 DECDRO Cc1c(O)ccc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC001140748016 796567642 /nfs/dbraw/zinc/56/76/42/796567642.db2.gz RHGSAXSAEIOAMS-UHFFFAOYSA-N 1 0 320.433 2.487 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC001140855022 796583741 /nfs/dbraw/zinc/58/37/41/796583741.db2.gz KLCPMYAFEGWLHE-UHFFFAOYSA-N 1 0 306.406 2.187 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC001140855530 796584122 /nfs/dbraw/zinc/58/41/22/796584122.db2.gz DEYMXIPBCHBTQB-INIZCTEOSA-N 1 0 319.449 2.291 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](COC)C2)c(O)c1 ZINC001140857011 796584515 /nfs/dbraw/zinc/58/45/15/796584515.db2.gz LDECVKAKLYDXJW-INIZCTEOSA-N 1 0 308.422 2.086 20 10 DECDRO COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC001141028345 796620464 /nfs/dbraw/zinc/62/04/64/796620464.db2.gz LIISRUKXDOJDEO-ZDUSSCGKSA-N 1 0 306.406 2.080 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028894 796620488 /nfs/dbraw/zinc/62/04/88/796620488.db2.gz DULIEQBKMREBGG-ZDUSSCGKSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(OC)c1 ZINC001141030635 796621362 /nfs/dbraw/zinc/62/13/62/796621362.db2.gz DXMGNFOYIXXQPM-GFCCVEGCSA-N 1 0 323.389 2.137 20 10 DECDRO FCCN1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141076600 796632939 /nfs/dbraw/zinc/63/29/39/796632939.db2.gz WSDWLIPEBVIVGK-UHFFFAOYSA-N 1 0 317.452 2.473 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@](F)(CO)CC3)ccc21 ZINC001141140048 796638294 /nfs/dbraw/zinc/63/82/94/796638294.db2.gz HMTRDILEZOVZQP-KRWDZBQOSA-N 1 0 308.397 2.202 20 10 DECDRO CN1CCOc2cc(CN3CCC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC001141142935 796638915 /nfs/dbraw/zinc/63/89/15/796638915.db2.gz HCZXNPGOYMVUNU-INIZCTEOSA-N 1 0 301.434 2.185 20 10 DECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143508 796639012 /nfs/dbraw/zinc/63/90/12/796639012.db2.gz BQKHPDUMPHFUNV-UKRRQHHQSA-N 1 0 318.417 2.146 20 10 DECDRO O=C(C1CC[NH+](Cc2cc(O)ccc2O)CC1)N1CCCCC1 ZINC001141159240 796642538 /nfs/dbraw/zinc/64/25/38/796642538.db2.gz DIIVFTPTAVYSCO-UHFFFAOYSA-N 1 0 318.417 2.322 20 10 DECDRO C[NH2+]Cc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)cc1 ZINC001193096040 797508682 /nfs/dbraw/zinc/50/86/82/797508682.db2.gz FGBCBWNNZDTRQH-UHFFFAOYSA-N 1 0 302.330 2.078 20 10 DECDRO C[NH+](C)CCC(C)(C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236503 797528634 /nfs/dbraw/zinc/52/86/34/797528634.db2.gz FTSXTVOCJGTVPB-UHFFFAOYSA-N 1 0 300.786 2.211 20 10 DECDRO CCc1nccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655476 798054214 /nfs/dbraw/zinc/05/42/14/798054214.db2.gz DKPRLPUKCOXEJI-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccccc1O ZINC001197004724 798136076 /nfs/dbraw/zinc/13/60/76/798136076.db2.gz VEBWKDKQHJDESI-GFCCVEGCSA-N 1 0 302.349 2.498 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC001199720939 798526347 /nfs/dbraw/zinc/52/63/47/798526347.db2.gz CAHKMUPYLKMBEP-ZFWWWQNUSA-N 1 0 322.424 2.444 20 10 DECDRO Nc1ccc(CC(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC001160703847 798725590 /nfs/dbraw/zinc/72/55/90/798725590.db2.gz FZEFJGRXJCVCFD-UHFFFAOYSA-N 1 0 321.424 2.479 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001161134520 798800787 /nfs/dbraw/zinc/80/07/87/798800787.db2.gz AZUZOKCBIBVPIO-HZPDHXFCSA-N 1 0 307.413 2.049 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc(F)c[nH]2)cc1C ZINC001162732165 799160910 /nfs/dbraw/zinc/16/09/10/799160910.db2.gz ZWWMDRWUOJJZHJ-UHFFFAOYSA-N 1 0 319.380 2.381 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000717826865 799474034 /nfs/dbraw/zinc/47/40/34/799474034.db2.gz CTPXOACNBFERCW-SECBINFHSA-N 1 0 313.703 2.457 20 10 DECDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203549891 800076741 /nfs/dbraw/zinc/07/67/41/800076741.db2.gz BNLXSPHBNVQRGM-AGGWBTHJSA-N 1 0 304.390 2.347 20 10 DECDRO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1O)C2 ZINC001203555650 800078473 /nfs/dbraw/zinc/07/84/73/800078473.db2.gz GCNGYFRNQHECIX-ZFWWWQNUSA-N 1 0 312.369 2.332 20 10 DECDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccccc3O)C2)ccn1 ZINC001203563011 800082296 /nfs/dbraw/zinc/08/22/96/800082296.db2.gz SSSWPBNFXJVQGD-HNNXBMFYSA-N 1 0 300.358 2.449 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(=O)[nH]1 ZINC000933403841 800086872 /nfs/dbraw/zinc/08/68/72/800086872.db2.gz CKVIURTUQSZNNB-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO CCN1CCC2(CC[NH+](Cc3cccc(OC)c3O)CC2)C1=O ZINC001203599557 800087422 /nfs/dbraw/zinc/08/74/22/800087422.db2.gz IJRQTCCWRQEBQG-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1O ZINC001203617353 800092142 /nfs/dbraw/zinc/09/21/42/800092142.db2.gz OOEVYZWLYUFUAG-AWEZNQCLSA-N 1 0 315.373 2.234 20 10 DECDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203622959 800092953 /nfs/dbraw/zinc/09/29/53/800092953.db2.gz HBUYXTWEZAGMKC-MSOLQXFVSA-N 1 0 321.417 2.418 20 10 DECDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001203634941 800096234 /nfs/dbraw/zinc/09/62/34/800096234.db2.gz BZOWHVRUQTZFKI-JKSUJKDBSA-N 1 0 308.397 2.409 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001203634956 800096859 /nfs/dbraw/zinc/09/68/59/800096859.db2.gz CPXHGVYJSAWNQH-HNNXBMFYSA-N 1 0 315.373 2.153 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cc(Br)ccc1O ZINC001203649729 800099109 /nfs/dbraw/zinc/09/91/09/800099109.db2.gz DJTSHIKHVNIMFE-UHFFFAOYSA-N 1 0 302.168 2.150 20 10 DECDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203878046 800138294 /nfs/dbraw/zinc/13/82/94/800138294.db2.gz PAKJOUJEAGDEES-JJLQDPRZSA-N 1 0 320.389 2.053 20 10 DECDRO O=C1CCCCN1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880449 800139605 /nfs/dbraw/zinc/13/96/05/800139605.db2.gz SAMIVJSMYSFAGU-UHFFFAOYSA-N 1 0 304.390 2.075 20 10 DECDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203884664 800141091 /nfs/dbraw/zinc/14/10/91/800141091.db2.gz XDLBHJSYICAFDD-UHFFFAOYSA-N 1 0 318.417 2.321 20 10 DECDRO COc1ccc(C[NH2+]CC(=O)N(C)OCC(F)(F)F)cc1C ZINC001204021536 800161292 /nfs/dbraw/zinc/16/12/92/800161292.db2.gz YWHZHFCMNJTYOD-UHFFFAOYSA-N 1 0 320.311 2.046 20 10 DECDRO COc1cc(O)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1Cl ZINC001205777125 800417798 /nfs/dbraw/zinc/41/77/98/800417798.db2.gz AJNZBPNKVQNQBZ-SNVBAGLBSA-N 1 0 320.767 2.470 20 10 DECDRO COc1cc(O)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1Cl ZINC001206139725 800479757 /nfs/dbraw/zinc/47/97/57/800479757.db2.gz OHXWXZOILSTOHC-VIFPVBQESA-N 1 0 306.740 2.223 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206188858 800486545 /nfs/dbraw/zinc/48/65/45/800486545.db2.gz WBJJXNVWSPGEMN-NEPJUHHUSA-N 1 0 302.777 2.315 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1O ZINC001231587197 801690258 /nfs/dbraw/zinc/69/02/58/801690258.db2.gz QVAKSSURISHGMY-ZWKOTPCHSA-N 1 0 301.386 2.111 20 10 DECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2O)[C@@H]1C ZINC001231637184 801700408 /nfs/dbraw/zinc/70/04/08/801700408.db2.gz IHKSGPDQHNHMBQ-YPMHNXCESA-N 1 0 323.389 2.270 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)c(O)cc1O ZINC001231638877 801701295 /nfs/dbraw/zinc/70/12/95/801701295.db2.gz HXEIBWWKCADTMB-NSHDSACASA-N 1 0 319.361 2.177 20 10 DECDRO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1c(C)cc(C)cc1O ZINC001231846162 801734843 /nfs/dbraw/zinc/73/48/43/801734843.db2.gz GYUCCEPTEXUPBR-QDMKHBRRSA-N 1 0 319.401 2.161 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001231847773 801736695 /nfs/dbraw/zinc/73/66/95/801736695.db2.gz CVGUKPNIYBAYBQ-QGZVFWFLSA-N 1 0 310.413 2.448 20 10 DECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854022 801737541 /nfs/dbraw/zinc/73/75/41/801737541.db2.gz VXFGHKSOZCAYTL-ZFWWWQNUSA-N 1 0 320.433 2.392 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001231854236 801739210 /nfs/dbraw/zinc/73/92/10/801739210.db2.gz CHMBBPOCWDKAQC-SFHVURJKSA-N 1 0 303.450 2.289 20 10 DECDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232262689 801830491 /nfs/dbraw/zinc/83/04/91/801830491.db2.gz MQSIUDNPUMRPFA-VIFPVBQESA-N 1 0 309.753 2.432 20 10 DECDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232259805 801830766 /nfs/dbraw/zinc/83/07/66/801830766.db2.gz KFEUWMLRYVAAAO-MRXNPFEDSA-N 1 0 324.808 2.338 20 10 DECDRO COc1cc(O)c(CN2CCCN(C(C)=O)CC2)cc1Cl ZINC001232264668 801834183 /nfs/dbraw/zinc/83/41/83/801834183.db2.gz LXGZPONSGONEDN-UHFFFAOYSA-N 1 0 312.797 2.108 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](O)CC2)c2ccccc2n1C ZINC001232402800 801870016 /nfs/dbraw/zinc/87/00/16/801870016.db2.gz PUTMUNUVGWCARS-ZDUSSCGKSA-N 1 0 316.401 2.312 20 10 DECDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(N(C)C)cc2O)C(C)C)C1 ZINC001232840794 801969398 /nfs/dbraw/zinc/96/93/98/801969398.db2.gz JBGCFDXVULQOFW-QGZVFWFLSA-N 1 0 319.449 2.289 20 10 DECDRO [O-]c1cc(Br)cc(F)c1C[N@H+]1CC[C@H](CO)C1 ZINC001233029367 802007911 /nfs/dbraw/zinc/00/79/11/802007911.db2.gz BMXHWXOJSHINII-QMMMGPOBSA-N 1 0 304.159 2.108 20 10 DECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C2)cc1Br ZINC001233134687 802033345 /nfs/dbraw/zinc/03/33/45/802033345.db2.gz BKBHIWMUEBFCRC-JTQLQIEISA-N 1 0 316.195 2.384 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC001233138136 802034317 /nfs/dbraw/zinc/03/43/17/802034317.db2.gz WEKOKHQWJPIMJX-SNVBAGLBSA-N 1 0 316.195 2.120 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC(N3CCOCC3)C2)c1 ZINC001233286172 802065131 /nfs/dbraw/zinc/06/51/31/802065131.db2.gz IOYSFQVRYWEXQK-UHFFFAOYSA-N 1 0 304.434 2.206 20 10 DECDRO COc1cc(Cl)cc(C[N@H+]2CCc3nccn3CC2)c1O ZINC001233290319 802065209 /nfs/dbraw/zinc/06/52/09/802065209.db2.gz WHJZMXJPOGTIKC-UHFFFAOYSA-N 1 0 307.781 2.309 20 10 DECDRO NC(=[NH2+])NCCCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217735941 802108290 /nfs/dbraw/zinc/10/82/90/802108290.db2.gz DGNZSTXETRSZGU-UHFFFAOYSA-N 1 0 324.388 2.333 20 10 DECDRO CNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451363 802119385 /nfs/dbraw/zinc/11/93/85/802119385.db2.gz HWWCDAQDARMDRT-UHFFFAOYSA-N 1 0 316.323 2.369 20 10 DECDRO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCc2nncn2CC1 ZINC001233451922 802121401 /nfs/dbraw/zinc/12/14/01/802121401.db2.gz DOHIQVUZWVNLGA-UHFFFAOYSA-N 1 0 312.295 2.061 20 10 DECDRO CCc1nnc(C2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)o1 ZINC001233486302 802127878 /nfs/dbraw/zinc/12/78/78/802127878.db2.gz HTLPTBBROKWSGL-UHFFFAOYSA-N 1 0 319.361 2.128 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)cc1O ZINC001233487526 802129528 /nfs/dbraw/zinc/12/95/28/802129528.db2.gz HNFOYFIJTGSUQO-AWEZNQCLSA-N 1 0 316.357 2.242 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cccc21 ZINC001218327917 802168735 /nfs/dbraw/zinc/16/87/35/802168735.db2.gz VCVJEMNZZVSJNL-UXEPBGEESA-N 1 0 319.360 2.449 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1O ZINC001233726275 802190934 /nfs/dbraw/zinc/19/09/34/802190934.db2.gz BOMTZSXPUMWPIR-MWLCHTKSSA-N 1 0 305.296 2.494 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000407303497 802202891 /nfs/dbraw/zinc/20/28/91/802202891.db2.gz CXXCBNPCQVZAGF-SJORKVTESA-N 1 0 301.434 2.242 20 10 DECDRO COc1ccc2ccc(O)c(C[NH+]3CC4(C3)CS(=O)C4)c2c1 ZINC001234526130 802403548 /nfs/dbraw/zinc/40/35/48/802403548.db2.gz QJQNFLGLINAKDF-UHFFFAOYSA-N 1 0 317.410 2.118 20 10 DECDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(N)cc3)cn2)CCO1 ZINC001334753466 1150339066 /nfs/dbraw/zinc/33/90/66/1150339066.db2.gz DSLWMCMIFLCLFY-CQSZACIVSA-N 1 0 312.417 2.179 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC001335697090 1150504468 /nfs/dbraw/zinc/50/44/68/1150504468.db2.gz UTTGVJJLMZRZBY-CHWSQXEVSA-N 1 0 321.421 2.293 20 10 DECDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CN1C1CC1 ZINC001346206150 1150951649 /nfs/dbraw/zinc/95/16/49/1150951649.db2.gz PCMHOMUYWSLLSO-MRXNPFEDSA-N 1 0 313.445 2.387 20 10 DECDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)cc2F)CC1 ZINC001350709326 1151389401 /nfs/dbraw/zinc/38/94/01/1151389401.db2.gz ZQNRYGMGHAWRHN-HZPDHXFCSA-N 1 0 303.425 2.419 20 10 DECDRO CC1([NH+]2CCC2)CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001602911187 1069793839 /nfs/dbraw/zinc/79/38/39/1069793839.db2.gz FQZRAJUUJCBNQQ-UHFFFAOYSA-N 1 0 318.417 2.164 20 10 DECDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001461177406 1058600577 /nfs/dbraw/zinc/60/05/77/1058600577.db2.gz LNELRVVHZKMVMK-CQSZACIVSA-N 1 0 302.418 2.360 20 10 DECDRO C[C@@H]1CN(Cc2ccc(Cl)cc2O)CC[N@@H+]1CC(C)(C)O ZINC001462095929 1058760948 /nfs/dbraw/zinc/76/09/48/1058760948.db2.gz PEBMFVDAHNZPOK-GFCCVEGCSA-N 1 0 312.841 2.323 20 10 DECDRO CCOC(=O)/C=C\C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473610089 1060701515 /nfs/dbraw/zinc/70/15/15/1060701515.db2.gz KWGZPWHVRXOHMH-SREVYHEPSA-N 1 0 306.406 2.183 20 10 DECDRO COc1cc(C)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c(O)c1 ZINC001474501487 1060884232 /nfs/dbraw/zinc/88/42/32/1060884232.db2.gz ZJUAPFNVUNGCFO-HNNXBMFYSA-N 1 0 322.449 2.252 20 10 DECDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCCF ZINC001505764508 1060943205 /nfs/dbraw/zinc/94/32/05/1060943205.db2.gz GQZIKPFKUSRGMS-QWRGUYRKSA-N 1 0 323.372 2.305 20 10 DECDRO CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507052405 1062740504 /nfs/dbraw/zinc/74/05/04/1062740504.db2.gz PPKUNFAGMSRISO-CABCVRRESA-N 1 0 322.449 2.365 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2=COCCC2)cc1C ZINC001480430906 1062855395 /nfs/dbraw/zinc/85/53/95/1062855395.db2.gz BHQISFBDUZBBKY-AWEZNQCLSA-N 1 0 318.417 2.292 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001628981514 1078307773 /nfs/dbraw/zinc/30/77/73/1078307773.db2.gz FEXPGKYZVIUOOZ-ZIAGYGMSSA-N 1 0 317.393 2.452 20 10 DECDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc2cccnc2c1O ZINC001575560466 1066353711 /nfs/dbraw/zinc/35/37/11/1066353711.db2.gz FDAJPHWQDMUFKQ-CQSZACIVSA-N 1 0 301.390 2.320 20 10 DECDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001620778258 1066649271 /nfs/dbraw/zinc/64/92/71/1066649271.db2.gz KASMPZOZDNSOAI-OAHLLOKOSA-N 1 0 323.456 2.482 20 10 DECDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC001577939550 1066956975 /nfs/dbraw/zinc/95/69/75/1066956975.db2.gz KXNQWXRCCFVJGS-SJKOYZFVSA-N 1 0 311.422 2.402 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1 ZINC001578424273 1067095962 /nfs/dbraw/zinc/09/59/62/1067095962.db2.gz CJVFXGLWKVISGY-BZUAXINKSA-N 1 0 313.401 2.265 20 10 DECDRO COc1cc(OC)cc(N(C)C(=O)c2ccccc2CC[NH3+])c1 ZINC001579168867 1067248644 /nfs/dbraw/zinc/24/86/44/1067248644.db2.gz GPRZQVHHLKPZSL-UHFFFAOYSA-N 1 0 314.385 2.482 20 10 DECDRO Cc1cc(CCNC(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccccc1 ZINC001579592409 1067377202 /nfs/dbraw/zinc/37/72/02/1067377202.db2.gz AJFRDKSJNBJWEB-CYBMUJFWSA-N 1 0 314.433 2.283 20 10 DECDRO Cc1cc(CCNC(=O)NC[C@@H](C)[NH3+])c(C)n1-c1ccccc1 ZINC001579593316 1067377218 /nfs/dbraw/zinc/37/72/18/1067377218.db2.gz ZVZRZGYHKOTTGF-CYBMUJFWSA-N 1 0 314.433 2.283 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCC[NH3+] ZINC001579616960 1067385859 /nfs/dbraw/zinc/38/58/59/1067385859.db2.gz JISZXBBWONTPSE-CQSZACIVSA-N 1 0 306.454 2.030 20 10 DECDRO C[NH+](C)CCc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001643882283 1078818695 /nfs/dbraw/zinc/81/86/95/1078818695.db2.gz SEULIZOQCGGISH-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC001573719937 1069080655 /nfs/dbraw/zinc/08/06/55/1069080655.db2.gz QPNCDYIMVAYJMY-HOTGVXAUSA-N 1 0 318.465 2.425 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)c(O)c1 ZINC001521687201 1069263032 /nfs/dbraw/zinc/26/30/32/1069263032.db2.gz SBBYDCMRPHNSHJ-YLQAJVPDSA-N 1 0 318.417 2.185 20 10 DECDRO CC[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001272444811 1078879368 /nfs/dbraw/zinc/87/93/68/1078879368.db2.gz GDFCFEHIMZONLD-GOSISDBHSA-N 1 0 301.434 2.197 20 10 DECDRO C[NH+](C)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001556236304 1075023388 /nfs/dbraw/zinc/02/33/88/1075023388.db2.gz CAMMWZXBGQTVNK-UHFFFAOYSA-N 1 0 303.366 2.063 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)on2)cc1C ZINC001566996388 1075411183 /nfs/dbraw/zinc/41/11/83/1075411183.db2.gz MJPVPIDLQBLZKX-GFCCVEGCSA-N 1 0 317.389 2.208 20 10 DECDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)Cc1ccccc1O ZINC001591131829 1076711512 /nfs/dbraw/zinc/71/15/12/1076711512.db2.gz ABJGLGLAOBBOKD-UHFFFAOYSA-N 1 0 313.336 2.343 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001651156636 1079792316 /nfs/dbraw/zinc/79/23/16/1079792316.db2.gz HJKDCXQDLSYTOR-AWEZNQCLSA-N 1 0 320.458 2.401 20 10 DECDRO Oc1cc(Cl)ccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001653012978 1079909363 /nfs/dbraw/zinc/90/93/63/1079909363.db2.gz SMUYRNHIELQLRE-AWEZNQCLSA-N 1 0 311.809 2.409 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(CCOC)C2)cc1F ZINC001656525251 1080098486 /nfs/dbraw/zinc/09/84/86/1080098486.db2.gz NOXYJZBQOMPBOU-MRXNPFEDSA-N 1 0 323.456 2.482 20 10 DECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC001658477395 1080209044 /nfs/dbraw/zinc/20/90/44/1080209044.db2.gz WSIOQJLYBSLEJL-UHFFFAOYSA-N 1 0 315.778 2.332 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC001659017952 1080224385 /nfs/dbraw/zinc/22/43/85/1080224385.db2.gz BIVOLLDVEMDTHN-KBXCAEBGSA-N 1 0 321.417 2.479 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccnc3N)C2)cc1 ZINC001659507627 1080243530 /nfs/dbraw/zinc/24/35/30/1080243530.db2.gz IVJPCZWADRMZCH-CQSZACIVSA-N 1 0 312.417 2.289 20 10 DECDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001663854964 1080827266 /nfs/dbraw/zinc/82/72/66/1080827266.db2.gz CVWBIWBASSIUIY-CYBMUJFWSA-N 1 0 309.797 2.035 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)c(O)c1 ZINC001664450852 1080911806 /nfs/dbraw/zinc/91/18/06/1080911806.db2.gz XEYXFNKRBWIGDB-UHFFFAOYSA-N 1 0 300.349 2.220 20 10 DECDRO COC[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666865228 1081188306 /nfs/dbraw/zinc/18/83/06/1081188306.db2.gz RALPNCUKWSQCGD-HUUCEWRRSA-N 1 0 322.449 2.223 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001669255663 1081440816 /nfs/dbraw/zinc/44/08/16/1081440816.db2.gz MWABVGUYXVRZJD-CQSZACIVSA-N 1 0 318.417 2.292 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CCF)cc1 ZINC001270194964 1081471902 /nfs/dbraw/zinc/47/19/02/1081471902.db2.gz YKUJNBSDNKUETH-ZDUSSCGKSA-N 1 0 321.356 2.013 20 10 DECDRO COc1ccc(N2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1 ZINC001276926997 1083683904 /nfs/dbraw/zinc/68/39/04/1083683904.db2.gz KQZUSQSFCVHBJP-UHFFFAOYSA-N 1 0 303.450 2.159 20 10 DECDRO COc1ccc(N2CC3(C2)C[NH+](CCn2ccnc2)C3)c(C)c1 ZINC001277022677 1083735275 /nfs/dbraw/zinc/73/52/75/1083735275.db2.gz QEWNPSLKCBUGMV-UHFFFAOYSA-N 1 0 312.417 2.022 20 10 DECDRO OC[C@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC001203547303 1084000843 /nfs/dbraw/zinc/00/08/43/1084000843.db2.gz NSBKEVNULMOHLE-GOSISDBHSA-N 1 0 312.413 2.071 20 10 DECDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205248951 1084141616 /nfs/dbraw/zinc/14/16/16/1084141616.db2.gz UOEBPBIKRDVRAB-AWEZNQCLSA-N 1 0 319.232 2.375 20 10 DECDRO Clc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)ccc1N1CCOCC1 ZINC001235045818 1084286749 /nfs/dbraw/zinc/28/67/49/1084286749.db2.gz VBBGMROOCFYVLG-DOTOQJQBSA-N 1 0 321.852 2.113 20 10 DECDRO COc1cc(O)c(CN2CCCC[C@]23CC[NH2+]C3)c(OC)c1 ZINC001235123062 1084319985 /nfs/dbraw/zinc/31/99/85/1084319985.db2.gz YAMXDRFRRAHVFD-QGZVFWFLSA-N 1 0 306.406 2.127 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001235172977 1084333341 /nfs/dbraw/zinc/33/33/41/1084333341.db2.gz IRDAOAOOQFDDOW-TVQRCGJNSA-N 1 0 302.296 2.214 20 10 DECDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001235174155 1084335963 /nfs/dbraw/zinc/33/59/63/1084335963.db2.gz VQIXEAZMRMPQSB-ISVAXAHUSA-N 1 0 315.186 2.217 20 10 DECDRO Cc1cc(CN2CCO[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC001235215442 1084346524 /nfs/dbraw/zinc/34/65/24/1084346524.db2.gz MNVREAONVUOBGT-MOPGFXCFSA-N 1 0 311.429 2.267 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001272917598 1084472441 /nfs/dbraw/zinc/47/24/41/1084472441.db2.gz XLQNTOLIQDAYRF-MRXNPFEDSA-N 1 0 301.434 2.101 20 10 DECDRO COC(=O)C[C@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235850447 1084548658 /nfs/dbraw/zinc/54/86/58/1084548658.db2.gz YVYXNRVTZQMNQP-HNNXBMFYSA-N 1 0 320.433 2.027 20 10 DECDRO CCN(CC)c1ccc(CN(C2CC2)C2C[NH2+]C2)c(OC)c1 ZINC001236062315 1084599921 /nfs/dbraw/zinc/59/99/21/1084599921.db2.gz BZZWLGNVPGKNEH-UHFFFAOYSA-N 1 0 303.450 2.478 20 10 DECDRO CC(C)(C)c1cccc(C[NH+]2CCN(C3COC3)CC2)c1O ZINC001143103364 1085687427 /nfs/dbraw/zinc/68/74/27/1085687427.db2.gz AQBADYPBAODCIZ-UHFFFAOYSA-N 1 0 304.434 2.206 20 10 DECDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137832709 1086429376 /nfs/dbraw/zinc/42/93/76/1086429376.db2.gz FBCXNKVTGGBDCX-NVXWUHKLSA-N 1 0 323.364 2.075 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](OC)C(C)C)cc1C ZINC001274906703 1091471750 /nfs/dbraw/zinc/47/17/50/1091471750.db2.gz KVRKXWAZRCYNLK-RHSMWYFYSA-N 1 0 322.449 2.269 20 10 DECDRO COCC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001275238105 1091631503 /nfs/dbraw/zinc/63/15/03/1091631503.db2.gz OXHHZMKYRKUYIM-AWEZNQCLSA-N 1 0 320.433 2.025 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c1 ZINC001275311752 1091663933 /nfs/dbraw/zinc/66/39/33/1091663933.db2.gz LRMTZEXGQHOHTJ-IRXDYDNUSA-N 1 0 312.417 2.273 20 10 DECDRO CN1CC2(C1)CCC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001275420548 1091734682 /nfs/dbraw/zinc/73/46/82/1091734682.db2.gz YKEMJJRIGBEPIX-UHFFFAOYSA-N 1 0 301.434 2.043 20 10 DECDRO CN(C)c1ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cc1 ZINC001275833548 1092197631 /nfs/dbraw/zinc/19/76/31/1092197631.db2.gz LRNZYHYFCFBZSJ-UHFFFAOYSA-N 1 0 310.445 2.399 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)cc1 ZINC001275834063 1092199985 /nfs/dbraw/zinc/19/99/85/1092199985.db2.gz SNPMNSCIAYVBQX-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO COc1cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc(O)c1O ZINC001275963117 1092388435 /nfs/dbraw/zinc/38/84/35/1092388435.db2.gz OODZDBHXJLOUFF-QGZVFWFLSA-N 1 0 306.406 2.024 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)cc1OC ZINC001236751196 1138407698 /nfs/dbraw/zinc/40/76/98/1138407698.db2.gz DBYUKLIHSSXYJL-CYBMUJFWSA-N 1 0 323.389 2.137 20 10 DECDRO CC[N@H+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3Cl)C[C@H]2C1 ZINC001236806543 1138433194 /nfs/dbraw/zinc/43/31/94/1138433194.db2.gz YCCJTXMBTQZERQ-TXEJJXNPSA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236806301 1138433985 /nfs/dbraw/zinc/43/39/85/1138433985.db2.gz UJOOFIQIFNIEEA-OAHLLOKOSA-N 1 0 313.781 2.439 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(c3nncn3C)CC2)c(O)c1 ZINC001236811602 1138437433 /nfs/dbraw/zinc/43/74/33/1138437433.db2.gz SESFCXJNGFGHTD-UHFFFAOYSA-N 1 0 316.405 2.217 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c1 ZINC001236820997 1138439717 /nfs/dbraw/zinc/43/97/17/1138439717.db2.gz PZFPEPSABTZKBK-UHFFFAOYSA-N 1 0 318.417 2.154 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236834643 1138441415 /nfs/dbraw/zinc/44/14/15/1138441415.db2.gz COXOOKVZUWJPTI-INIZCTEOSA-N 1 0 313.401 2.439 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236923873 1138457722 /nfs/dbraw/zinc/45/77/22/1138457722.db2.gz IJGPPDXLMKFKDI-KRWDZBQOSA-N 1 0 324.852 2.381 20 10 DECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925092 1138457816 /nfs/dbraw/zinc/45/78/16/1138457816.db2.gz PXPPQUAYPPTFHV-OAHLLOKOSA-N 1 0 310.825 2.397 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1O ZINC001237053021 1138491575 /nfs/dbraw/zinc/49/15/75/1138491575.db2.gz GXJYCKAECJBDEM-TVQRCGJNSA-N 1 0 305.296 2.146 20 10 DECDRO C[NH+](C)[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120992 1138508474 /nfs/dbraw/zinc/50/84/74/1138508474.db2.gz SUVVPPNDPPONMO-JTQLQIEISA-N 1 0 304.312 2.427 20 10 DECDRO CC[NH+]1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237120127 1138508636 /nfs/dbraw/zinc/50/86/36/1138508636.db2.gz MTQGCNBOXUUAAZ-UHFFFAOYSA-N 1 0 304.312 2.428 20 10 DECDRO C[N@H+](CCC1CC1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237209586 1138533104 /nfs/dbraw/zinc/53/31/04/1138533104.db2.gz ITJJKEUVAFBUHM-UHFFFAOYSA-N 1 0 322.474 2.153 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001237495759 1138657199 /nfs/dbraw/zinc/65/71/99/1138657199.db2.gz VIHRYFZHNABMSQ-UHFFFAOYSA-N 1 0 317.433 2.470 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+](C)C2CCS(=O)(=O)CC2)c1O ZINC001237686736 1138757642 /nfs/dbraw/zinc/75/76/42/1138757642.db2.gz MOGJLZDRLVLEPK-UHFFFAOYSA-N 1 0 317.838 2.363 20 10 DECDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)C1CC1 ZINC001292777181 1138865929 /nfs/dbraw/zinc/86/59/29/1138865929.db2.gz NGVNEWIFOVPTKS-SNVBAGLBSA-N 1 0 303.366 2.062 20 10 DECDRO Cn1ccc(-c2ccc(OCC[NH+]3CCCCC3)nc2)cc1=O ZINC001240998188 1139720314 /nfs/dbraw/zinc/72/03/14/1139720314.db2.gz NHNHZYQQOQKWHK-UHFFFAOYSA-N 1 0 313.401 2.312 20 10 DECDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318740743 1140396586 /nfs/dbraw/zinc/39/65/86/1140396586.db2.gz VKDQZZZIOAMCQG-GOSISDBHSA-N 1 0 323.456 2.074 20 10 DECDRO CC[C@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001320853133 1140956329 /nfs/dbraw/zinc/95/63/29/1140956329.db2.gz ZMUIFGHCTZKOIP-GOSISDBHSA-N 1 0 319.449 2.029 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCc3cnn(C)c3)CC2)cc1 ZINC001322028126 1141383944 /nfs/dbraw/zinc/38/39/44/1141383944.db2.gz BSRHZVWYNANGNL-UHFFFAOYSA-N 1 0 314.433 2.184 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001249177903 1141857241 /nfs/dbraw/zinc/85/72/41/1141857241.db2.gz LFVYBRPPHHRULB-SCLBCKFNSA-N 1 0 321.417 2.091 20 10 DECDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(O)c(O)c4)nc3c2)CC1 ZINC001250464811 1142213822 /nfs/dbraw/zinc/21/38/22/1142213822.db2.gz MVXUYTYCSNVLLY-UHFFFAOYSA-N 1 0 324.384 2.393 20 10 DECDRO Oc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1F ZINC001250873066 1142341748 /nfs/dbraw/zinc/34/17/48/1142341748.db2.gz USWUWGSRDZKMFP-CYBMUJFWSA-N 1 0 309.312 2.200 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c(O)c1OC ZINC001336797582 1142574743 /nfs/dbraw/zinc/57/47/43/1142574743.db2.gz NDEQLPAHJUWDCP-CQSZACIVSA-N 1 0 321.348 2.372 20 10 DECDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001337001547 1142652155 /nfs/dbraw/zinc/65/21/55/1142652155.db2.gz VFBACWKIYJRTIB-ZBFHGGJFSA-N 1 0 301.434 2.373 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(O)c1 ZINC001337026975 1142663808 /nfs/dbraw/zinc/66/38/08/1142663808.db2.gz ZWVJSPLCFYNKRU-AWEZNQCLSA-N 1 0 318.417 2.282 20 10 DECDRO COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001252734277 1142812895 /nfs/dbraw/zinc/81/28/95/1142812895.db2.gz VMDKASZTHIPMNI-UONOGXRCSA-N 1 0 317.385 2.491 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001338596454 1142865798 /nfs/dbraw/zinc/86/57/98/1142865798.db2.gz PXMXVCXZZXZJMU-CWRNSKLLSA-N 1 0 316.449 2.065 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001254585884 1143268685 /nfs/dbraw/zinc/26/86/85/1143268685.db2.gz YEYBTALRIFJKSQ-AWEZNQCLSA-N 1 0 314.341 2.306 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC001254729003 1143316548 /nfs/dbraw/zinc/31/65/48/1143316548.db2.gz BQKQAGFWFTUVDV-UWVGGRQHSA-N 1 0 304.312 2.418 20 10 DECDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC001255291984 1143548651 /nfs/dbraw/zinc/54/86/51/1143548651.db2.gz CIFLACSWMQCPLY-MRXNPFEDSA-N 1 0 322.474 2.339 20 10 DECDRO CCn1c(C2SC=CC2=O)nnc1N1CCN(C)C(C)(C)C1 ZINC001342571585 1143824640 /nfs/dbraw/zinc/82/46/40/1143824640.db2.gz YXRVRNDWEGILMC-UHFFFAOYSA-N 1 0 321.450 2.263 20 10 DECDRO COc1ccc(N2CCN(C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256073337 1143827377 /nfs/dbraw/zinc/82/73/77/1143827377.db2.gz RRHKZAHCWKACLR-UHFFFAOYSA-N 1 0 315.461 2.444 20 10 DECDRO COc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258877404 1144049752 /nfs/dbraw/zinc/04/97/52/1144049752.db2.gz PNGZTSOONOIMBM-PXAZEXFGSA-N 1 0 317.385 2.361 20 10 DECDRO COc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1C ZINC001262158960 1144296573 /nfs/dbraw/zinc/29/65/73/1144296573.db2.gz CZHHRGMVWHQFJW-UHFFFAOYSA-N 1 0 320.433 2.422 20 10 DECDRO C[NH2+]CCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001263110956 1144356929 /nfs/dbraw/zinc/35/69/29/1144356929.db2.gz NCEARMKNXBUTHE-INIZCTEOSA-N 1 0 320.433 2.290 20 10 DECDRO COCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001284561891 1145871428 /nfs/dbraw/zinc/87/14/28/1145871428.db2.gz FUGZEKALHCHHLA-INIZCTEOSA-N 1 0 322.449 2.271 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3nccn3C)CC2)cc1 ZINC001308239402 1147457860 /nfs/dbraw/zinc/45/78/60/1147457860.db2.gz LIZDSXSNBNHPAT-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO CCOCc1cc(C[NH2+]CCNC(=O)C(C)C)ccc1OC ZINC001308246924 1147458124 /nfs/dbraw/zinc/45/81/24/1147458124.db2.gz NRRAMDHXFXHVLW-UHFFFAOYSA-N 1 0 308.422 2.094 20 10 DECDRO CCOCc1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC001308303920 1147465653 /nfs/dbraw/zinc/46/56/53/1147465653.db2.gz RZMDHUMJISKLIY-HNNXBMFYSA-N 1 0 318.417 2.085 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCC(F)(F)F ZINC001326624169 1148167675 /nfs/dbraw/zinc/16/76/75/1148167675.db2.gz YMQWRFLPZLYJRT-WCBMZHEXSA-N 1 0 302.296 2.036 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCOCCO)cc1 ZINC000294745130 530009814 /nfs/dbraw/zinc/00/98/14/530009814.db2.gz KDQWNTHSEAIWJK-UHFFFAOYSA-N 1 0 320.458 2.483 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000073906521 354991436 /nfs/dbraw/zinc/99/14/36/354991436.db2.gz QVDPDOVLAMGYHU-CYBMUJFWSA-N 1 0 319.449 2.410 20 10 DECDRO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885025 355568931 /nfs/dbraw/zinc/56/89/31/355568931.db2.gz XYSGISKTGFRPFW-DLBZAZTESA-N 1 0 302.422 2.260 20 10 DECDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc(O)c1O ZINC000286241360 283249432 /nfs/dbraw/zinc/24/94/32/283249432.db2.gz ORXYDEKHEZCTSM-UHFFFAOYSA-N 1 0 306.406 2.436 20 10 DECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092011946 193141965 /nfs/dbraw/zinc/14/19/65/193141965.db2.gz BURTUXDBSWBGKU-PBHICJAKSA-N 1 0 315.417 2.380 20 10 DECDRO COc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000369487076 533481398 /nfs/dbraw/zinc/48/13/98/533481398.db2.gz ZFPAZJJAWKCOAE-CQSZACIVSA-N 1 0 320.433 2.086 20 10 DECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284993193 131129083 /nfs/dbraw/zinc/12/90/83/131129083.db2.gz COGHARLSPBCPBR-TZMCWYRMSA-N 1 0 304.390 2.180 20 10 DECDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000289188583 131364745 /nfs/dbraw/zinc/36/47/45/131364745.db2.gz AQIHUQRQGDZXRQ-CYBMUJFWSA-N 1 0 303.280 2.320 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289224629 131367160 /nfs/dbraw/zinc/36/71/60/131367160.db2.gz CSJPAKMEABKPIC-HOCLYGCPSA-N 1 0 320.433 2.086 20 10 DECDRO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1[O-] ZINC000289550752 131395337 /nfs/dbraw/zinc/39/53/37/131395337.db2.gz XPDUBPQYQHVWNC-UHFFFAOYSA-N 1 0 311.857 2.115 20 10 DECDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000091892913 401998308 /nfs/dbraw/zinc/99/83/08/401998308.db2.gz AMHSKTRHONYDBJ-KGLIPLIRSA-N 1 0 304.390 2.180 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@]3(C)CCC[NH2+]C3)ccc21 ZINC000120135378 401979633 /nfs/dbraw/zinc/97/96/33/401979633.db2.gz QVMVITQMYYHEPD-GOSISDBHSA-N 1 0 301.434 2.075 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091928293 401999293 /nfs/dbraw/zinc/99/92/93/401999293.db2.gz FRDOVIKOHNZWMJ-DLBZAZTESA-N 1 0 307.390 2.171 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000151056903 402013848 /nfs/dbraw/zinc/01/38/48/402013848.db2.gz FNBDBCUSOPGXBR-SFHVURJKSA-N 1 0 314.433 2.498 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000093691453 402019699 /nfs/dbraw/zinc/01/96/99/402019699.db2.gz CNTZYHHAMGOGJT-OAHLLOKOSA-N 1 0 300.358 2.449 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCOC1 ZINC000151565280 402044101 /nfs/dbraw/zinc/04/41/01/402044101.db2.gz LWMYYEQVBZPVQZ-CRAIPNDOSA-N 1 0 318.461 2.410 20 10 DECDRO COC(=O)CC1([NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000152511116 402099029 /nfs/dbraw/zinc/09/90/29/402099029.db2.gz UEIYUFPLZIJNAN-UHFFFAOYSA-N 1 0 307.390 2.211 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000152776193 402108491 /nfs/dbraw/zinc/10/84/91/402108491.db2.gz YPRCNWJKCVZJSP-UHFFFAOYSA-N 1 0 316.449 2.204 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000227439455 402331975 /nfs/dbraw/zinc/33/19/75/402331975.db2.gz IZGZVTOLXUMVGH-VIFPVBQESA-N 1 0 314.101 2.168 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)ccc1O ZINC000186022242 402397174 /nfs/dbraw/zinc/39/71/74/402397174.db2.gz BERGZWDABHIXQJ-KCJUWKMLSA-N 1 0 320.286 2.345 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c(O)c1 ZINC000179578050 402595192 /nfs/dbraw/zinc/59/51/92/402595192.db2.gz HJZNMGYZHJXVKP-INIZCTEOSA-N 1 0 309.406 2.154 20 10 DECDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179576072 402595375 /nfs/dbraw/zinc/59/53/75/402595375.db2.gz LYTGOCYSGWQRCK-MRXNPFEDSA-N 1 0 301.390 2.071 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC)c(O)c1 ZINC000179947171 402604337 /nfs/dbraw/zinc/60/43/37/402604337.db2.gz QUNWXPUWKLRXTQ-OAHLLOKOSA-N 1 0 306.406 2.282 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1C ZINC000173375620 402695090 /nfs/dbraw/zinc/69/50/90/402695090.db2.gz OLCNAKWXPFMHAT-QGZVFWFLSA-N 1 0 304.434 2.306 20 10 DECDRO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000174341666 402737457 /nfs/dbraw/zinc/73/74/57/402737457.db2.gz DKTHLGYJUSOVAG-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccccc1O ZINC000183448149 402768740 /nfs/dbraw/zinc/76/87/40/402768740.db2.gz OGBKDVIVOINDKK-YOEHRIQHSA-N 1 0 322.474 2.251 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1OC ZINC000280687094 403026814 /nfs/dbraw/zinc/02/68/14/403026814.db2.gz VKPZXWUGGUNLSG-APPDUMDISA-N 1 0 307.390 2.409 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280250106 402979845 /nfs/dbraw/zinc/97/98/45/402979845.db2.gz KZZAVKXUWFWJAY-CXAGYDPISA-N 1 0 307.390 2.171 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000280258914 402980406 /nfs/dbraw/zinc/98/04/06/402980406.db2.gz JMYRBVYZEFRIQQ-IAGOWNOFSA-N 1 0 306.450 2.267 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000280934670 403051328 /nfs/dbraw/zinc/05/13/28/403051328.db2.gz RZFIPIAJAUZPND-SNVBAGLBSA-N 1 0 312.360 2.303 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000268735869 403111376 /nfs/dbraw/zinc/11/13/76/403111376.db2.gz DFWZEKZRQOGJIH-BBRMVZONSA-N 1 0 310.463 2.228 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@H]1OC ZINC000274944663 403097768 /nfs/dbraw/zinc/09/77/68/403097768.db2.gz RCDDPXCZXNSAOU-NJZAAPMLSA-N 1 0 315.797 2.336 20 10 DECDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000269037153 403123103 /nfs/dbraw/zinc/12/31/03/403123103.db2.gz VUMBAOIXIFOYGN-HIFRSBDPSA-N 1 0 310.413 2.474 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000282507790 403155626 /nfs/dbraw/zinc/15/56/26/403155626.db2.gz YQZDTXPLZBSYRQ-SFHVURJKSA-N 1 0 315.369 2.161 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277482176 403222123 /nfs/dbraw/zinc/22/21/23/403222123.db2.gz IVSJZUFSAMCZDS-BOSPYUDASA-N 1 0 316.401 2.244 20 10 DECDRO COc1ccc(N2CC[NH+](CCn3ccnc3C)CC2)cc1 ZINC000270875105 403234364 /nfs/dbraw/zinc/23/43/64/403234364.db2.gz UXRGCMYLYFYCQH-UHFFFAOYSA-N 1 0 300.406 2.022 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278039794 403281763 /nfs/dbraw/zinc/28/17/63/403281763.db2.gz XLNPQTRXQNGMEO-HNNXBMFYSA-N 1 0 322.449 2.381 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc1N(C)C ZINC000292705578 403375151 /nfs/dbraw/zinc/37/51/51/403375151.db2.gz DPHKAHHTLIMGTI-GOSISDBHSA-N 1 0 317.477 2.358 20 10 DECDRO Cc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1N(C)C ZINC000292763171 403377583 /nfs/dbraw/zinc/37/75/83/403377583.db2.gz JALCBJNDBKYHNB-SFHVURJKSA-N 1 0 317.477 2.215 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368962876 403917871 /nfs/dbraw/zinc/91/78/71/403917871.db2.gz FICCDEFMJCYFMU-BHYNMZESSA-N 1 0 324.808 2.140 20 10 DECDRO CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295437780 403924396 /nfs/dbraw/zinc/92/43/96/403924396.db2.gz UGHABOBKUSIYDC-SECBINFHSA-N 1 0 323.817 2.440 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296419040 404239819 /nfs/dbraw/zinc/23/98/19/404239819.db2.gz SHFAWYVFYRLDBZ-ZXFUBFMLSA-N 1 0 316.449 2.177 20 10 DECDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296862102 404347058 /nfs/dbraw/zinc/34/70/58/404347058.db2.gz NPNRKHBEIBZPCC-XYJFISCASA-N 1 0 313.397 2.454 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000364069002 404306256 /nfs/dbraw/zinc/30/62/56/404306256.db2.gz FKMUCTQTAUACIQ-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291182653 404376318 /nfs/dbraw/zinc/37/63/18/404376318.db2.gz FTRPBTKFIYSQEY-LBPRGKRZSA-N 1 0 301.333 2.240 20 10 DECDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000370505776 404394472 /nfs/dbraw/zinc/39/44/72/404394472.db2.gz YJJDHXNIIDIMTJ-SCOAYWHSSA-N 1 0 323.396 2.451 20 10 DECDRO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000366535213 404809579 /nfs/dbraw/zinc/80/95/79/404809579.db2.gz NJPVSUFZDGQRQA-LJQANCHMSA-N 1 0 315.461 2.051 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000368540518 405243448 /nfs/dbraw/zinc/24/34/48/405243448.db2.gz YKJGEMCTLSWMEL-WBAXXEDZSA-N 1 0 303.450 2.266 20 10 DECDRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000571535670 406533789 /nfs/dbraw/zinc/53/37/89/406533789.db2.gz SRKSQTYTHSREPH-GFCCVEGCSA-N 1 0 314.389 2.080 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000246465696 225227627 /nfs/dbraw/zinc/22/76/27/225227627.db2.gz OGENAUSDDWQCOW-ZBFHGGJFSA-N 1 0 307.390 2.171 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(O)c1O ZINC000293744160 225709983 /nfs/dbraw/zinc/70/99/83/225709983.db2.gz RQLCIDPLXHOFPV-LBPRGKRZSA-N 1 0 318.417 2.353 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000834862721 649855453 /nfs/dbraw/zinc/85/54/53/649855453.db2.gz XMNHXDSTOVEVNU-CABCVRRESA-N 1 0 312.417 2.346 20 10 DECDRO COCC(COC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000834893079 649857994 /nfs/dbraw/zinc/85/79/94/649857994.db2.gz STXPYGQYARXWSO-SECBINFHSA-N 1 0 318.211 2.467 20 10 DECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)NC ZINC000834911260 649859682 /nfs/dbraw/zinc/85/96/82/649859682.db2.gz IPBUUCWEIJCNEJ-LDYMZIIASA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000347727198 287681180 /nfs/dbraw/zinc/68/11/80/287681180.db2.gz RTRVHUYEGQORDN-ZIAGYGMSSA-N 1 0 317.433 2.351 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CN2CCOCC2)cc1 ZINC000078969511 276121130 /nfs/dbraw/zinc/12/11/30/276121130.db2.gz MZHFRIZXGTVFJM-MRXNPFEDSA-N 1 0 305.466 2.343 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(O)c1O ZINC000272875918 278787877 /nfs/dbraw/zinc/78/78/77/278787877.db2.gz XABVTARCFYLHST-ZDUSSCGKSA-N 1 0 304.390 2.107 20 10 DECDRO COC(=O)[C@H](CC(C)C)NCc1cc(OC)c(OC)cc1O ZINC000276361066 334076193 /nfs/dbraw/zinc/07/61/93/334076193.db2.gz ALXWMGFHEINCII-LBPRGKRZSA-N 1 0 311.378 2.087 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373642283 534201553 /nfs/dbraw/zinc/20/15/53/534201553.db2.gz ULWBCQWTIIGDPK-DYVFJYSZSA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCN2CCCC2=O)cc1 ZINC000835027524 649868779 /nfs/dbraw/zinc/86/87/79/649868779.db2.gz FVKFXFAAAUCIJE-XQRVVYSFSA-N 1 0 301.434 2.320 20 10 DECDRO C[C@@H](CN1CCOCC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035766 649869967 /nfs/dbraw/zinc/86/99/67/649869967.db2.gz LXNIAVIGTCNIIC-AWFCHZOYSA-N 1 0 303.450 2.076 20 10 DECDRO CCC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180692422 519843097 /nfs/dbraw/zinc/84/30/97/519843097.db2.gz PZHSECVJAIWXKU-FNORWQNLSA-N 1 0 318.417 2.444 20 10 DECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC000180411271 520441328 /nfs/dbraw/zinc/44/13/28/520441328.db2.gz UEZDZKQQWOFPTH-DLBZAZTESA-N 1 0 321.417 2.153 20 10 DECDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000188310485 521750212 /nfs/dbraw/zinc/75/02/12/521750212.db2.gz YREIDVXRQYLFMN-UHFFFAOYSA-N 1 0 314.385 2.302 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1 ZINC000191684143 524754017 /nfs/dbraw/zinc/75/40/17/524754017.db2.gz CWYCFOKPXJRLIO-MRXNPFEDSA-N 1 0 301.386 2.402 20 10 DECDRO C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000187677743 525653149 /nfs/dbraw/zinc/65/31/49/525653149.db2.gz PYRYEFXLAQBHRA-JLZZUVOBSA-N 1 0 322.424 2.472 20 10 DECDRO Nc1ccc(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000261994478 527479678 /nfs/dbraw/zinc/47/96/78/527479678.db2.gz ADNQPNULVSNLIM-KWOWKCNFSA-N 1 0 301.434 2.081 20 10 DECDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000296806848 529350519 /nfs/dbraw/zinc/35/05/19/529350519.db2.gz FFBOFXZWADVZDT-VUDGCMKMSA-N 1 0 304.390 2.054 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000835043339 649870659 /nfs/dbraw/zinc/87/06/59/649870659.db2.gz PEICIXVVISYUJV-DDKKJVIOSA-N 1 0 304.434 2.145 20 10 DECDRO C[C@H](CCS(C)(=O)=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042904 649870737 /nfs/dbraw/zinc/87/07/37/649870737.db2.gz LQQHVVVKTMFTLS-VBROQKIQSA-N 1 0 310.463 2.179 20 10 DECDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000835042876 649870859 /nfs/dbraw/zinc/87/08/59/649870859.db2.gz LCADAYOUIPZSOF-YMTSHVIYSA-N 1 0 303.450 2.075 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CCO)CCN(C)CC2)cc1 ZINC000835047738 649871233 /nfs/dbraw/zinc/87/12/33/649871233.db2.gz VNMKCISBOKTBHP-PLNGDYQASA-N 1 0 317.477 2.202 20 10 DECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C/C=C\c3ccc(N(C)C)cc3)C[C@@H]21 ZINC000835055658 649872660 /nfs/dbraw/zinc/87/26/60/649872660.db2.gz MZVPEMUSGHMOSD-JGGCQBIMSA-N 1 0 300.402 2.117 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000835055811 649873054 /nfs/dbraw/zinc/87/30/54/649873054.db2.gz ZMJMRGDWKJYXTA-MTGFJVSHSA-N 1 0 317.477 2.202 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CCC(C)(C)CO)cc2F)CC1 ZINC001330564928 1149196996 /nfs/dbraw/zinc/19/69/96/1149196996.db2.gz SRBKZTLIVZIASM-UHFFFAOYSA-N 1 0 323.456 2.076 20 10 DECDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1O ZINC000825965654 608597824 /nfs/dbraw/zinc/59/78/24/608597824.db2.gz AFNGEQNBSAJLAH-UHFFFAOYSA-N 1 0 301.375 2.266 20 10 DECDRO CCOCCN1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160171282 622569780 /nfs/dbraw/zinc/56/97/80/622569780.db2.gz LJNVHMBQPNOHRF-UHFFFAOYSA-N 1 0 318.461 2.425 20 10 DECDRO CC[C@@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000969585757 622829986 /nfs/dbraw/zinc/82/99/86/622829986.db2.gz ZMAATHFYASGPIB-HUUCEWRRSA-N 1 0 308.397 2.442 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CSC)C2)cc1C ZINC001026665995 625632567 /nfs/dbraw/zinc/63/25/67/625632567.db2.gz ZVXPWWSKWJPLRL-OAHLLOKOSA-N 1 0 322.474 2.305 20 10 DECDRO CCC(CC)(C[NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000236649196 625665578 /nfs/dbraw/zinc/66/55/78/625665578.db2.gz GJWZVARYRMUSKN-UHFFFAOYSA-N 1 0 319.449 2.109 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccsn2)[NH+](C)C)cc1 ZINC000891247394 623791945 /nfs/dbraw/zinc/79/19/45/623791945.db2.gz JUFMBRBJZQGZOF-OAHLLOKOSA-N 1 0 318.446 2.242 20 10 DECDRO COC[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253040 623798098 /nfs/dbraw/zinc/79/80/98/623798098.db2.gz PLNCQWUDGJJXNC-WMLDXEAASA-N 1 0 321.465 2.144 20 10 DECDRO CC(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255719 623804561 /nfs/dbraw/zinc/80/45/61/623804561.db2.gz RIPSUVAROGCQRK-KRWDZBQOSA-N 1 0 319.449 2.231 20 10 DECDRO CNC(=O)CCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000156983514 624098580 /nfs/dbraw/zinc/09/85/80/624098580.db2.gz VLKVJEFVJDKEMD-UHFFFAOYSA-N 1 0 308.422 2.353 20 10 DECDRO CCN(C(=O)NCCCSc1nccs1)[C@H]1CC[NH2+]C1 ZINC000891674727 624525985 /nfs/dbraw/zinc/52/59/85/624525985.db2.gz POBHSBZYRYFYBA-NSHDSACASA-N 1 0 314.480 2.019 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c(O)c1OC ZINC000893038311 625067436 /nfs/dbraw/zinc/06/74/36/625067436.db2.gz SESKTLHRWDJUAQ-GFCCVEGCSA-N 1 0 307.346 2.134 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000893052822 625080269 /nfs/dbraw/zinc/08/02/69/625080269.db2.gz HVEQVMMLKJPBKD-QGZVFWFLSA-N 1 0 318.465 2.297 20 10 DECDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc2ccccc2c1O ZINC000892580820 625167082 /nfs/dbraw/zinc/16/70/82/625167082.db2.gz OEFZZACPEXYMDE-AWEZNQCLSA-N 1 0 300.402 2.356 20 10 DECDRO COc1cccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)c1O ZINC000725841554 625858645 /nfs/dbraw/zinc/85/86/45/625858645.db2.gz HDCUBLBGUSOCSP-UHFFFAOYSA-N 1 0 322.311 2.407 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCCCCC2)c(O)c1OC ZINC000892509605 625950679 /nfs/dbraw/zinc/95/06/79/625950679.db2.gz IJGSKUGNNNDVDI-UHFFFAOYSA-N 1 0 308.422 2.375 20 10 DECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893554311 634619328 /nfs/dbraw/zinc/61/93/28/634619328.db2.gz UAZZIQGIHRHMGW-QWRGUYRKSA-N 1 0 311.378 2.087 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC([NH2+]CCF)C1 ZINC000999905688 634702043 /nfs/dbraw/zinc/70/20/43/634702043.db2.gz IZRBFTUBTNMPSM-UHFFFAOYSA-N 1 0 321.356 2.011 20 10 DECDRO C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[NH+](C)C ZINC000124078879 633256966 /nfs/dbraw/zinc/25/69/66/633256966.db2.gz FPPDNMOJHWSCOS-ZDUSSCGKSA-N 1 0 302.374 2.464 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000734511857 633384071 /nfs/dbraw/zinc/38/40/71/633384071.db2.gz JYWXERLTYOUTHO-UHFFFAOYSA-N 1 0 311.429 2.379 20 10 DECDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000186359475 634170907 /nfs/dbraw/zinc/17/09/07/634170907.db2.gz PJFZBTNRQYUMFV-GFCCVEGCSA-N 1 0 322.405 2.357 20 10 DECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000893609627 635036861 /nfs/dbraw/zinc/03/68/61/635036861.db2.gz UFZOGAWUJWQMCT-GOSISDBHSA-N 1 0 321.417 2.194 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000840952171 635423130 /nfs/dbraw/zinc/42/31/30/635423130.db2.gz UGIUHZPSTQXTDT-INIZCTEOSA-N 1 0 318.465 2.297 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CC=CC2)[NH+](C)C)cc1 ZINC000893661173 635739381 /nfs/dbraw/zinc/73/93/81/635739381.db2.gz JCIZRSQJMYNDLY-QGZVFWFLSA-N 1 0 316.449 2.373 20 10 DECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(S(C)(=O)=O)CC1 ZINC000922121973 635880467 /nfs/dbraw/zinc/88/04/67/635880467.db2.gz JPIJWDPDHGTSDW-LBPRGKRZSA-N 1 0 309.431 2.067 20 10 DECDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000261552938 635890449 /nfs/dbraw/zinc/89/04/49/635890449.db2.gz SBUZSMAADWUXBL-GOSISDBHSA-N 1 0 309.413 2.202 20 10 DECDRO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c(O)c1OC ZINC000893700582 635894048 /nfs/dbraw/zinc/89/40/48/635894048.db2.gz DPAJUBYVQHNXLE-NSHDSACASA-N 1 0 324.421 2.144 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](CCCF)C2)cc1 ZINC001016380606 635928287 /nfs/dbraw/zinc/92/82/87/635928287.db2.gz FDGDGVAEQRPXOP-ZDUSSCGKSA-N 1 0 321.356 2.013 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc[nH]c(=O)c3)C2)cc1 ZINC000922196979 635986582 /nfs/dbraw/zinc/98/65/82/635986582.db2.gz PSSMLSBOZSVKBK-HNNXBMFYSA-N 1 0 313.401 2.412 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000840975448 635996183 /nfs/dbraw/zinc/99/61/83/635996183.db2.gz YHKOMQMOSUCAFC-UHFFFAOYSA-N 1 0 311.813 2.247 20 10 DECDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924864334 636128288 /nfs/dbraw/zinc/12/82/88/636128288.db2.gz AAIBUPGMVZLOIR-CZUORRHYSA-N 1 0 301.434 2.216 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1O ZINC000922523696 636217010 /nfs/dbraw/zinc/21/70/10/636217010.db2.gz CPKIBDGGVJWJMX-UONOGXRCSA-N 1 0 308.447 2.070 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c(O)c1 ZINC000922524472 636217391 /nfs/dbraw/zinc/21/73/91/636217391.db2.gz KXTBVUSWWVBHBJ-CVEARBPZSA-N 1 0 322.474 2.460 20 10 DECDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726243997 636418577 /nfs/dbraw/zinc/41/85/77/636418577.db2.gz FKQKCINLTFIVDO-CYBMUJFWSA-N 1 0 324.444 2.421 20 10 DECDRO O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000923128974 636984372 /nfs/dbraw/zinc/98/43/72/636984372.db2.gz OTFQUWPWUAFSQW-CABCVRRESA-N 1 0 321.396 2.347 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1O ZINC000894394504 636994112 /nfs/dbraw/zinc/99/41/12/636994112.db2.gz SOZCGQJWAYOKKV-LBPRGKRZSA-N 1 0 318.373 2.097 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 ZINC000894682953 637162684 /nfs/dbraw/zinc/16/26/84/637162684.db2.gz HFXVZHGXIRNNLW-STQMWFEESA-N 1 0 307.312 2.438 20 10 DECDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894753389 637195810 /nfs/dbraw/zinc/19/58/10/637195810.db2.gz IPHCTGGVFWTQGM-CYBMUJFWSA-N 1 0 308.422 2.326 20 10 DECDRO COC(=O)c1c(C[NH2+][C@@H]2CO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000895083718 637527072 /nfs/dbraw/zinc/52/70/72/637527072.db2.gz LVBVUFCYCCWFFF-PWSUYJOCSA-N 1 0 320.364 2.371 20 10 DECDRO COCCOC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000160210297 637573048 /nfs/dbraw/zinc/57/30/48/637573048.db2.gz VIALKHDIVDFQBK-UHFFFAOYSA-N 1 0 309.406 2.337 20 10 DECDRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000839502684 637898818 /nfs/dbraw/zinc/89/88/18/637898818.db2.gz BRTAWCHBAVIPLF-AWEZNQCLSA-N 1 0 303.450 2.489 20 10 DECDRO COc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000895320677 637925480 /nfs/dbraw/zinc/92/54/80/637925480.db2.gz IHJMJLZXADHPNM-HNNXBMFYSA-N 1 0 320.433 2.313 20 10 DECDRO COc1ccc(N2CCC(NC(=O)CC3([NH3+])CCC3)CC2)cc1 ZINC000237257254 637927806 /nfs/dbraw/zinc/92/78/06/637927806.db2.gz SARAVUDJFTYUCK-UHFFFAOYSA-N 1 0 317.433 2.052 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000840914480 650379767 /nfs/dbraw/zinc/37/97/67/650379767.db2.gz UJFMYBIUYYBGEL-HZPDHXFCSA-N 1 0 324.852 2.385 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(C(F)(F)F)c1 ZINC000895652704 638138170 /nfs/dbraw/zinc/13/81/70/638138170.db2.gz JIPXLYVPABIMKK-FZMZJTMJSA-N 1 0 300.324 2.338 20 10 DECDRO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000743359190 638138459 /nfs/dbraw/zinc/13/84/59/638138459.db2.gz UMXLNXQUJAFIPP-UHFFFAOYSA-N 1 0 321.373 2.286 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1OC ZINC000840963358 650395789 /nfs/dbraw/zinc/39/57/89/650395789.db2.gz RDAWTJRDOUQQGM-RDJZCZTQSA-N 1 0 323.433 2.109 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000840964605 650396145 /nfs/dbraw/zinc/39/61/45/650396145.db2.gz YQNYPQNCEGELIX-NBQNJAIASA-N 1 0 304.434 2.143 20 10 DECDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1csnn1 ZINC000840970714 650396914 /nfs/dbraw/zinc/39/69/14/650396914.db2.gz VVKBRAUTZKRZGG-CYBMUJFWSA-N 1 0 317.462 2.141 20 10 DECDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722631 638166530 /nfs/dbraw/zinc/16/65/30/638166530.db2.gz YDLNBJMCGDUJGN-CQSZACIVSA-N 1 0 311.809 2.409 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000895750246 638179450 /nfs/dbraw/zinc/17/94/50/638179450.db2.gz YIYMKCQTKDTFGR-QWHCGFSZSA-N 1 0 315.797 2.074 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1OC ZINC000895790939 638198032 /nfs/dbraw/zinc/19/80/32/638198032.db2.gz MLSJHPSXFVQMGF-CYBMUJFWSA-N 1 0 307.390 2.458 20 10 DECDRO CC(C)n1nccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043283 650412560 /nfs/dbraw/zinc/41/25/60/650412560.db2.gz QNIITODKKHELQW-KRWDZBQOSA-N 1 0 301.438 2.320 20 10 DECDRO CCC[NH2+]CCNCc1cc(Br)cc(OC)c1O ZINC000841047071 650413409 /nfs/dbraw/zinc/41/34/09/650413409.db2.gz UNBICZINAXFPCR-UHFFFAOYSA-N 1 0 317.227 2.253 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000896164926 638389274 /nfs/dbraw/zinc/38/92/74/638389274.db2.gz UIZAEVURHSMNFF-FZMZJTMJSA-N 1 0 306.406 2.451 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1O ZINC000896308728 638460039 /nfs/dbraw/zinc/46/00/39/638460039.db2.gz IGFVTAGPPHEWBW-SNVBAGLBSA-N 1 0 312.797 2.012 20 10 DECDRO COc1c([O-])c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000841091330 650428820 /nfs/dbraw/zinc/42/88/20/650428820.db2.gz VGHSTAUMLVGNRN-GFCCVEGCSA-N 1 0 321.377 2.073 20 10 DECDRO Oc1cc2c(cc1CN1CC[NH2+]C[C@@H]1c1ccccc1)OCO2 ZINC000841101071 650431319 /nfs/dbraw/zinc/43/13/19/650431319.db2.gz NKWWILYKJGVRSM-OAHLLOKOSA-N 1 0 312.369 2.267 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C[NH3+] ZINC000841101396 650431467 /nfs/dbraw/zinc/43/14/67/650431467.db2.gz VTRPHQGNSDYFKE-KOLCDFICSA-N 1 0 313.785 2.371 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@]2(OC)CCSC2)cc1OC ZINC000896573609 638589365 /nfs/dbraw/zinc/58/93/65/638589365.db2.gz MQZOCJVVUPUCST-HNNXBMFYSA-N 1 0 313.419 2.021 20 10 DECDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841298489 650471281 /nfs/dbraw/zinc/47/12/81/650471281.db2.gz AKPUXIOIXUWJSZ-MRXNPFEDSA-N 1 0 320.437 2.233 20 10 DECDRO C[C@@H]1CN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C[C@@H](C)O1 ZINC000841301674 650471299 /nfs/dbraw/zinc/47/12/99/650471299.db2.gz CRDRRSRQWLSREN-CHWSQXEVSA-N 1 0 320.437 2.278 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC000897028306 639132349 /nfs/dbraw/zinc/13/23/49/639132349.db2.gz WTGFNPYQEPWSQK-OAHLLOKOSA-N 1 0 320.389 2.111 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897227138 639260947 /nfs/dbraw/zinc/26/09/47/639260947.db2.gz BPLWSLILPWOOIL-CQSZACIVSA-N 1 0 310.825 2.389 20 10 DECDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1O ZINC000841403126 650486666 /nfs/dbraw/zinc/48/66/66/650486666.db2.gz FEQMERHNWBIEDU-UHFFFAOYSA-N 1 0 310.397 2.457 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H]3C[C@H]3C)CC2)cc1 ZINC000754119551 639390839 /nfs/dbraw/zinc/39/08/39/639390839.db2.gz CUJWFCZQIKZKHC-CVEARBPZSA-N 1 0 303.450 2.063 20 10 DECDRO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000841452723 650496981 /nfs/dbraw/zinc/49/69/81/650496981.db2.gz FQPIQFPLSOFXNE-UHFFFAOYSA-N 1 0 312.417 2.313 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2C(=O)NCC2(CC)CC)c1O ZINC000897344364 639521118 /nfs/dbraw/zinc/52/11/18/639521118.db2.gz BDABAXXBCPWDGG-OAHLLOKOSA-N 1 0 306.406 2.185 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNc2ncccn2)c1 ZINC000756643134 639681089 /nfs/dbraw/zinc/68/10/89/639681089.db2.gz RSWWVIHDWUGDAJ-LBPRGKRZSA-N 1 0 302.378 2.344 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H]1CN(C)CCO1 ZINC000756760210 639692948 /nfs/dbraw/zinc/69/29/48/639692948.db2.gz POECNJYJTNSHSA-REJLFOLJSA-N 1 0 308.397 2.388 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CSC)[C@@H]2C)cc1C ZINC000985946917 639705068 /nfs/dbraw/zinc/70/50/68/639705068.db2.gz YPOVQTOCESFQPD-UKRRQHHQSA-N 1 0 322.474 2.446 20 10 DECDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000841653213 650530181 /nfs/dbraw/zinc/53/01/81/650530181.db2.gz IBROEDLFIVWAID-MRXNPFEDSA-N 1 0 306.454 2.267 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000841720672 650551138 /nfs/dbraw/zinc/55/11/38/650551138.db2.gz YTAXPKSJZNFECX-HOCLYGCPSA-N 1 0 318.465 2.412 20 10 DECDRO CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000841710320 650546898 /nfs/dbraw/zinc/54/68/98/650546898.db2.gz VWKMQVXNHUTZCZ-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000841710480 650546942 /nfs/dbraw/zinc/54/69/42/650546942.db2.gz WNBIFTHDQJIBPT-HUUCEWRRSA-N 1 0 316.449 2.179 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000841709574 650547010 /nfs/dbraw/zinc/54/70/10/650547010.db2.gz IBQQYWXJYDNJSY-GOEBONIOSA-N 1 0 316.449 2.227 20 10 DECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000759752471 640113325 /nfs/dbraw/zinc/11/33/25/640113325.db2.gz VVKJDFHIIYBXIB-QGZVFWFLSA-N 1 0 300.358 2.325 20 10 DECDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709944 650547109 /nfs/dbraw/zinc/54/71/09/650547109.db2.gz QADAATGCGQAGFY-QGZVFWFLSA-N 1 0 316.449 2.180 20 10 DECDRO CC1([NH3+])CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000841709545 650547129 /nfs/dbraw/zinc/54/71/29/650547129.db2.gz HXIOQEJWGJXNSW-UHFFFAOYSA-N 1 0 316.449 2.310 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000841761232 650558363 /nfs/dbraw/zinc/55/83/63/650558363.db2.gz OEDVUGXKBKOGAY-HIFRSBDPSA-N 1 0 322.428 2.208 20 10 DECDRO CCOCc1cc(C[NH2+]CCc2ccn(C)n2)ccc1OC ZINC000760650717 640215589 /nfs/dbraw/zinc/21/55/89/640215589.db2.gz WEKNQWSEHPMKLR-UHFFFAOYSA-N 1 0 303.406 2.298 20 10 DECDRO Oc1cc2c(cc1C[NH2+]Cc1cnn(CC3CCC3)c1)OCO2 ZINC000897432027 640219426 /nfs/dbraw/zinc/21/94/26/640219426.db2.gz CMWXQOVHUUDBIC-UHFFFAOYSA-N 1 0 315.373 2.407 20 10 DECDRO CC(C)[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987585463 640229548 /nfs/dbraw/zinc/22/95/48/640229548.db2.gz PCQGHRVBBKIVAA-RISCZKNCSA-N 1 0 317.393 2.450 20 10 DECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000761215497 640285798 /nfs/dbraw/zinc/28/57/98/640285798.db2.gz MESUKSPFJYXDQN-RYUDHWBXSA-N 1 0 312.797 2.059 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CSC)C2)cc1C ZINC000987967110 640323502 /nfs/dbraw/zinc/32/35/02/640323502.db2.gz CNWIPDODZLZNMA-UKRRQHHQSA-N 1 0 322.474 2.446 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841823874 650570946 /nfs/dbraw/zinc/57/09/46/650570946.db2.gz IVLTUCBIWZPCOB-CJNGLKHVSA-N 1 0 318.465 2.187 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000761973505 640367998 /nfs/dbraw/zinc/36/79/98/640367998.db2.gz QWOXMEWJYGQOMX-FRRDWIJNSA-N 1 0 306.406 2.451 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841827054 650573171 /nfs/dbraw/zinc/57/31/71/650573171.db2.gz KCGJQQBPESHSRC-GDBMZVCRSA-N 1 0 318.465 2.248 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000841829131 650574047 /nfs/dbraw/zinc/57/40/47/650574047.db2.gz XYRPQZCUKGNKTA-GOEBONIOSA-N 1 0 318.465 2.330 20 10 DECDRO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832277 650574725 /nfs/dbraw/zinc/57/47/25/650574725.db2.gz LKTYNEWYKYITKU-KRWDZBQOSA-N 1 0 314.433 2.086 20 10 DECDRO CCC[NH2+]CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841849257 650578656 /nfs/dbraw/zinc/57/86/56/650578656.db2.gz FMKUEYPZRMIYMJ-UHFFFAOYSA-N 1 0 318.446 2.046 20 10 DECDRO CN(CC(C)(C)C[NH3+])C(=O)NCCCSc1nccs1 ZINC000841855526 650581476 /nfs/dbraw/zinc/58/14/76/650581476.db2.gz ARBXAHZGWBDDGH-UHFFFAOYSA-N 1 0 316.496 2.252 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2nccnc2F)[NH+](C)C)cc1 ZINC000897523210 640542309 /nfs/dbraw/zinc/54/23/09/640542309.db2.gz RUAIFQJRPKZCFP-CQSZACIVSA-N 1 0 303.385 2.397 20 10 DECDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000763520297 640550130 /nfs/dbraw/zinc/55/01/30/640550130.db2.gz CAGAMQGVCMKVFP-UHFFFAOYSA-N 1 0 301.365 2.347 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000841880624 650591237 /nfs/dbraw/zinc/59/12/37/650591237.db2.gz DYMZZTMAMHGZPL-HEHGZKQESA-N 1 0 304.438 2.111 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH2+]C1CC1 ZINC000841930859 650605114 /nfs/dbraw/zinc/60/51/14/650605114.db2.gz YLMSJLGQVPSNNW-UHFFFAOYSA-N 1 0 318.465 2.425 20 10 DECDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841933828 650605562 /nfs/dbraw/zinc/60/55/62/650605562.db2.gz KQIRUICEMULKIA-UHFFFAOYSA-N 1 0 318.465 2.474 20 10 DECDRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000841935189 650606470 /nfs/dbraw/zinc/60/64/70/650606470.db2.gz GHWWVRZNOAZVDR-ZDUSSCGKSA-N 1 0 317.433 2.070 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000841946493 650609041 /nfs/dbraw/zinc/60/90/41/650609041.db2.gz ATSOVEIPOLFHMS-NVXWUHKLSA-N 1 0 318.465 2.412 20 10 DECDRO CCCC[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841957018 650611942 /nfs/dbraw/zinc/61/19/42/650611942.db2.gz DJYPZGWAMQXENE-OAHLLOKOSA-N 1 0 306.454 2.412 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000841961407 650614251 /nfs/dbraw/zinc/61/42/51/650614251.db2.gz BDCRMGHXQDYRTM-AWEZNQCLSA-N 1 0 306.454 2.267 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1O ZINC000897623546 640873377 /nfs/dbraw/zinc/87/33/77/640873377.db2.gz FIFFQHXUWPGUJN-ZBEGNZNMSA-N 1 0 324.808 2.142 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841985938 650620132 /nfs/dbraw/zinc/62/01/32/650620132.db2.gz QRPIZIXSUMAOMM-CQSZACIVSA-N 1 0 318.465 2.425 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000841987642 650620156 /nfs/dbraw/zinc/62/01/56/650620156.db2.gz OZHPMEDPMKNDQB-NHYWBVRUSA-N 1 0 321.421 2.279 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc1 ZINC000897818664 640943553 /nfs/dbraw/zinc/94/35/53/640943553.db2.gz KTFBOHCMOBZSIF-LFDJNIOPSA-N 1 0 314.429 2.429 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]1 ZINC000841984663 650619794 /nfs/dbraw/zinc/61/97/94/650619794.db2.gz CQXCOKBXDSHEBX-JSGCOSHPSA-N 1 0 317.433 2.211 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC23CC(O)C3)c1O ZINC000897847987 640952525 /nfs/dbraw/zinc/95/25/25/640952525.db2.gz FTIAEDJUKMEVTI-MBHSVXNSSA-N 1 0 312.207 2.466 20 10 DECDRO CC[C@H]([NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842004014 650625345 /nfs/dbraw/zinc/62/53/45/650625345.db2.gz DSXTUUMNIZOOTM-AWEZNQCLSA-N 1 0 317.389 2.434 20 10 DECDRO CC(C)(C)[N@@H+]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768445303 641082105 /nfs/dbraw/zinc/08/21/05/641082105.db2.gz RHRZOUPPDXNJEQ-INIZCTEOSA-N 1 0 320.433 2.124 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000768444664 641082440 /nfs/dbraw/zinc/08/24/40/641082440.db2.gz NGAIRTSTZRFJPF-UHFFFAOYSA-N 1 0 322.405 2.373 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1OC ZINC000768447677 641082640 /nfs/dbraw/zinc/08/26/40/641082640.db2.gz RRGDNBVDIWTNON-CQSZACIVSA-N 1 0 317.389 2.443 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c(O)c1 ZINC000768765307 641121156 /nfs/dbraw/zinc/12/11/56/641121156.db2.gz CYGYFTQSMIKPQR-UHFFFAOYSA-N 1 0 316.405 2.299 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000768788033 641124143 /nfs/dbraw/zinc/12/41/43/641124143.db2.gz HWTLZVCAOQKXQQ-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841038890 641132179 /nfs/dbraw/zinc/13/21/79/641132179.db2.gz TWYHTJHHMBCYIX-UHFFFAOYSA-N 1 0 310.444 2.066 20 10 DECDRO COc1cccc(O)c1C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000768925081 641144047 /nfs/dbraw/zinc/14/40/47/641144047.db2.gz ALVNPIVLLALANS-UHFFFAOYSA-N 1 0 300.358 2.132 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000769405935 641234820 /nfs/dbraw/zinc/23/48/20/641234820.db2.gz YRCHBLQRVXNJSU-HNNXBMFYSA-N 1 0 318.417 2.235 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000769471303 641246604 /nfs/dbraw/zinc/24/66/04/641246604.db2.gz RZCONSZYMIUQAF-ZDUSSCGKSA-N 1 0 305.296 2.290 20 10 DECDRO COC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000769493260 641250223 /nfs/dbraw/zinc/25/02/23/641250223.db2.gz YNQGZSVBYVJZEZ-UHFFFAOYSA-N 1 0 308.397 2.054 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(O)c1 ZINC000770380764 641362585 /nfs/dbraw/zinc/36/25/85/641362585.db2.gz QQJVTLPMADZVJK-HOCLYGCPSA-N 1 0 318.417 2.282 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2ccc(OC)c(C)c2)CCCOC1 ZINC000770677999 641406528 /nfs/dbraw/zinc/40/65/28/641406528.db2.gz XPVLHFGUIHPPNN-QGZVFWFLSA-N 1 0 307.390 2.206 20 10 DECDRO COc1ccc2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]c2n1 ZINC000771513907 641521415 /nfs/dbraw/zinc/52/14/15/641521415.db2.gz OBXUDZGETFPDTD-UHFFFAOYSA-N 1 0 323.400 2.385 20 10 DECDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000842225892 650673073 /nfs/dbraw/zinc/67/30/73/650673073.db2.gz KWWVLDFMEMVSNO-ROUUACIJSA-N 1 0 306.450 2.288 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]CC[C@@H]2CCOC2)N(C)C)cc1 ZINC000898449609 641661037 /nfs/dbraw/zinc/66/10/37/641661037.db2.gz IBJJNIHJRVLSDB-CRAIPNDOSA-N 1 0 305.466 2.372 20 10 DECDRO C=Cn1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451493 641663470 /nfs/dbraw/zinc/66/34/70/641663470.db2.gz ZBGSZNJBKSJEBC-GOSISDBHSA-N 1 0 313.449 2.442 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CC3CC3)CC2)cc1 ZINC000773101394 641729337 /nfs/dbraw/zinc/72/93/37/641729337.db2.gz CGCAHXVXZVVGHP-MRXNPFEDSA-N 1 0 304.434 2.415 20 10 DECDRO C[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773369819 641765161 /nfs/dbraw/zinc/76/51/61/641765161.db2.gz DSGRTTWLODSVEU-ZDUSSCGKSA-N 1 0 304.438 2.207 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000773753843 641819716 /nfs/dbraw/zinc/81/97/16/641819716.db2.gz BICCBNVYUUQKNK-KRWDZBQOSA-N 1 0 316.449 2.132 20 10 DECDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1c(O)cccc1F ZINC000898990390 641885764 /nfs/dbraw/zinc/88/57/64/641885764.db2.gz CHLBHUUAWRYNOD-LBPRGKRZSA-N 1 0 311.401 2.307 20 10 DECDRO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000775410365 642039935 /nfs/dbraw/zinc/03/99/35/642039935.db2.gz KOPBVDCQXBKYCO-CJNGLKHVSA-N 1 0 321.490 2.367 20 10 DECDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000775768716 642091735 /nfs/dbraw/zinc/09/17/35/642091735.db2.gz AMIYEFROJDAFID-ZDUSSCGKSA-N 1 0 312.841 2.492 20 10 DECDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775833801 642102892 /nfs/dbraw/zinc/10/28/92/642102892.db2.gz MTXWUNDJHRVZDZ-QLFBSQMISA-N 1 0 319.449 2.039 20 10 DECDRO CC[C@@H]([NH2+][C@H](CO)COC)c1ccc(C(F)(F)F)cc1O ZINC000810238904 642196707 /nfs/dbraw/zinc/19/67/07/642196707.db2.gz TZBLRZDBAHRJJE-ZYHUDNBSSA-N 1 0 307.312 2.459 20 10 DECDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000776865911 642214403 /nfs/dbraw/zinc/21/44/03/642214403.db2.gz AQRSXOOYIITHJT-ZTFGCOKTSA-N 1 0 322.449 2.224 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778187689 642350142 /nfs/dbraw/zinc/35/01/42/642350142.db2.gz DFGAKUJYEDOSFY-GFCCVEGCSA-N 1 0 322.206 2.456 20 10 DECDRO C[N@@H+]1CCCC12CCN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000779548721 642510424 /nfs/dbraw/zinc/51/04/24/642510424.db2.gz XNGNFNQQYAKPSH-XQRVVYSFSA-N 1 0 316.401 2.198 20 10 DECDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000902445455 643040288 /nfs/dbraw/zinc/04/02/88/643040288.db2.gz LZCGDNAXFLWFFU-CXAGYDPISA-N 1 0 321.440 2.311 20 10 DECDRO O=C1NCCC2(CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)O1 ZINC000902501192 643054064 /nfs/dbraw/zinc/05/40/64/643054064.db2.gz JESHXWOBILFUBE-UHFFFAOYSA-N 1 0 316.401 2.345 20 10 DECDRO COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000902482106 643057071 /nfs/dbraw/zinc/05/70/71/643057071.db2.gz JFNCQIAJKAWRSL-GXTWGEPZSA-N 1 0 306.406 2.362 20 10 DECDRO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c(O)cc1C ZINC000902607073 643082955 /nfs/dbraw/zinc/08/29/55/643082955.db2.gz PHECSADNGNESIQ-HOCLYGCPSA-N 1 0 321.417 2.337 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCCc2ncn(C)n2)cc1 ZINC000842737858 650814745 /nfs/dbraw/zinc/81/47/45/650814745.db2.gz QPIGSFHFROZVCU-UHFFFAOYSA-N 1 0 301.438 2.384 20 10 DECDRO C/C=C\C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730195063 643142994 /nfs/dbraw/zinc/14/29/94/643142994.db2.gz ZQGHVXXNPDUBOO-HYXAFXHYSA-N 1 0 305.397 2.160 20 10 DECDRO CC1(C)C[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)O1 ZINC000785515846 643243463 /nfs/dbraw/zinc/24/34/63/643243463.db2.gz XCIFFDFRNSLZME-CQSZACIVSA-N 1 0 307.390 2.207 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1F ZINC000786018407 643313143 /nfs/dbraw/zinc/31/31/43/643313143.db2.gz IAHNWFPFSXIWDG-UHFFFAOYSA-N 1 0 312.348 2.469 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903324898 643315509 /nfs/dbraw/zinc/31/55/09/643315509.db2.gz SGVNNGLXSMTWKM-HIFRSBDPSA-N 1 0 307.413 2.017 20 10 DECDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000903804220 643468485 /nfs/dbraw/zinc/46/84/85/643468485.db2.gz BBHNMPAOUNIKFC-MJGOQNOKSA-N 1 0 315.461 2.227 20 10 DECDRO Oc1ccc(Cl)cc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973743 643531976 /nfs/dbraw/zinc/53/19/76/643531976.db2.gz HEXJDUVOSFQALQ-CQSZACIVSA-N 1 0 310.825 2.294 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000788378305 643602396 /nfs/dbraw/zinc/60/23/96/643602396.db2.gz QODAWFROCYIBSN-AWEZNQCLSA-N 1 0 304.434 2.033 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842926680 650853747 /nfs/dbraw/zinc/85/37/47/650853747.db2.gz ARVPUWYKAXVBEA-NFAWXSAZSA-N 1 0 308.397 2.490 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ncnn3C)CC2)cc1 ZINC000788985698 643669611 /nfs/dbraw/zinc/66/96/11/643669611.db2.gz XWBDQFYUMNCNTD-ZDUSSCGKSA-N 1 0 315.421 2.143 20 10 DECDRO O[C@H](C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000905085378 643779438 /nfs/dbraw/zinc/77/94/38/643779438.db2.gz AEAWVJMBESUAHI-ZWKOTPCHSA-N 1 0 313.397 2.196 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CC1(O)CCCC1 ZINC000905133974 643806900 /nfs/dbraw/zinc/80/69/00/643806900.db2.gz NIWVRNCLYAHDIR-GOSISDBHSA-N 1 0 316.445 2.209 20 10 DECDRO CC[NH2+]CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000843055937 650879121 /nfs/dbraw/zinc/87/91/21/650879121.db2.gz SHDQJIZSOYMHAQ-UHFFFAOYSA-N 1 0 323.393 2.131 20 10 DECDRO COc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)c(O)c1 ZINC000792794648 644153955 /nfs/dbraw/zinc/15/39/55/644153955.db2.gz ZAIQOKVLHWVNDI-UHFFFAOYSA-N 1 0 321.421 2.076 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000793740930 644294254 /nfs/dbraw/zinc/29/42/54/644294254.db2.gz GYZIYHVQCBKOOU-RHSMWYFYSA-N 1 0 319.401 2.067 20 10 DECDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000794693707 644461358 /nfs/dbraw/zinc/46/13/58/644461358.db2.gz KIHOYQAFPZXMMG-MAUKXSAKSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)cc1C ZINC000795692874 644620307 /nfs/dbraw/zinc/62/03/07/644620307.db2.gz RJPAZOOZLKLCDB-GOEBONIOSA-N 1 0 320.433 2.004 20 10 DECDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796393263 644730180 /nfs/dbraw/zinc/73/01/80/644730180.db2.gz HSKZXYLLJUMTAQ-CZUORRHYSA-N 1 0 321.490 2.052 20 10 DECDRO C[C@H]1CCCN(C(=O)CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000843350858 650954691 /nfs/dbraw/zinc/95/46/91/650954691.db2.gz XECGBXVLILXNFY-AWEZNQCLSA-N 1 0 301.434 2.156 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c(O)c1O ZINC000908573931 644915590 /nfs/dbraw/zinc/91/55/90/644915590.db2.gz WNBBWCIGUAZMQM-UHFFFAOYSA-N 1 0 318.417 2.497 20 10 DECDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000843433326 650974679 /nfs/dbraw/zinc/97/46/79/650974679.db2.gz XMTTTYAOBXADEW-CQSZACIVSA-N 1 0 316.323 2.201 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000843489481 650983480 /nfs/dbraw/zinc/98/34/80/650983480.db2.gz PTBCUFLTQLZOGA-APYUEPQZSA-N 1 0 318.417 2.499 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OCCOC)C2)c1 ZINC000802651890 645539566 /nfs/dbraw/zinc/53/95/66/645539566.db2.gz GBYBSVJBFHHHTO-INIZCTEOSA-N 1 0 309.406 2.418 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OCCOC)C2)c1O ZINC000802651830 645539628 /nfs/dbraw/zinc/53/96/28/645539628.db2.gz CVZJKZFWHXTEJL-HNNXBMFYSA-N 1 0 309.406 2.418 20 10 DECDRO Nc1ccc(CCNC(=O)CCCCC2CC[NH2+]CC2)cc1 ZINC000911783261 645822232 /nfs/dbraw/zinc/82/22/32/645822232.db2.gz SLAXCOVMYRURJS-UHFFFAOYSA-N 1 0 303.450 2.488 20 10 DECDRO CSCC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C(=O)N(C)C ZINC000808438624 646084466 /nfs/dbraw/zinc/08/44/66/646084466.db2.gz IMKCRBFQTYWCII-AWEZNQCLSA-N 1 0 310.463 2.309 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C)ccc3O)[C@@H]2C1 ZINC000808445805 646085421 /nfs/dbraw/zinc/08/54/21/646085421.db2.gz ZXWCKXDRMJMCTI-UAGQMJEPSA-N 1 0 302.418 2.437 20 10 DECDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C12CCC2 ZINC000840140273 646092415 /nfs/dbraw/zinc/09/24/15/646092415.db2.gz MUXJMGZYSLTFFH-USXIJHARSA-N 1 0 319.401 2.207 20 10 DECDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C12CCC2 ZINC000840140267 646092612 /nfs/dbraw/zinc/09/26/12/646092612.db2.gz MUXJMGZYSLTFFH-BHYGNILZSA-N 1 0 319.401 2.207 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C(C)(C)C ZINC000808706710 646131181 /nfs/dbraw/zinc/13/11/81/646131181.db2.gz RSYBLTVGMFLSNH-KRWDZBQOSA-N 1 0 306.450 2.362 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000808707999 646131926 /nfs/dbraw/zinc/13/19/26/646131926.db2.gz DQMCFLMLLJFNRX-HZMBPMFUSA-N 1 0 309.797 2.472 20 10 DECDRO [NH3+]CCN(Cc1cc(F)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000809734901 646270300 /nfs/dbraw/zinc/27/03/00/646270300.db2.gz NRIOXDONGWSOEP-UHFFFAOYSA-N 1 0 305.309 2.405 20 10 DECDRO CC[C@H]([NH2+]CC1(CO)COC1)c1ccc(C(F)(F)F)cc1O ZINC000810228669 646341667 /nfs/dbraw/zinc/34/16/67/646341667.db2.gz YOMFJVXYVRPALE-LBPRGKRZSA-N 1 0 319.323 2.461 20 10 DECDRO COCCOC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164339376 646434326 /nfs/dbraw/zinc/43/43/26/646434326.db2.gz WWYKZGCHBXPNAK-UHFFFAOYSA-N 1 0 309.406 2.337 20 10 DECDRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000227656612 646604971 /nfs/dbraw/zinc/60/49/71/646604971.db2.gz BTTUUGCQOXVIFB-UHFFFAOYSA-N 1 0 304.390 2.330 20 10 DECDRO C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000231675963 646778163 /nfs/dbraw/zinc/77/81/63/646778163.db2.gz GJHILXNCIOBOHA-UHFFFAOYSA-N 1 0 307.221 2.367 20 10 DECDRO CCOCC[NH+]1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815035219 646958526 /nfs/dbraw/zinc/95/85/26/646958526.db2.gz DSFVKSCPTALCJC-UHFFFAOYSA-N 1 0 305.466 2.215 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000815118235 646973300 /nfs/dbraw/zinc/97/33/00/646973300.db2.gz UGYQMWKGOZEXIL-LPHOPBHVSA-N 1 0 317.477 2.438 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000815155541 646981258 /nfs/dbraw/zinc/98/12/58/646981258.db2.gz ROJXTYGXJSFOEU-MRXNPFEDSA-N 1 0 310.413 2.301 20 10 DECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000816660678 647164272 /nfs/dbraw/zinc/16/42/72/647164272.db2.gz MFRJFLOGGVPMPR-KRWDZBQOSA-N 1 0 303.450 2.049 20 10 DECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000816660679 647164457 /nfs/dbraw/zinc/16/44/57/647164457.db2.gz MFRJFLOGGVPMPR-QGZVFWFLSA-N 1 0 303.450 2.049 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1C ZINC000816666159 647165450 /nfs/dbraw/zinc/16/54/50/647165450.db2.gz GEJXARNTYQUZPV-MSOLQXFVSA-N 1 0 305.418 2.419 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000816666727 647165621 /nfs/dbraw/zinc/16/56/21/647165621.db2.gz VAZUOPIUTCKRDH-HNNXBMFYSA-N 1 0 322.424 2.257 20 10 DECDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC000817889081 647371325 /nfs/dbraw/zinc/37/13/25/647371325.db2.gz RVMDMLITTYKROF-UTJXIGIESA-N 1 0 321.440 2.409 20 10 DECDRO CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894507 647373949 /nfs/dbraw/zinc/37/39/49/647373949.db2.gz LOHXCBXKWULVEX-ROUUACIJSA-N 1 0 303.450 2.143 20 10 DECDRO CCn1ccnc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942247 647388846 /nfs/dbraw/zinc/38/88/46/647388846.db2.gz NKTRRWNKCWGEPV-XJKSGUPXSA-N 1 0 301.438 2.320 20 10 DECDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817964971 647395608 /nfs/dbraw/zinc/39/56/08/647395608.db2.gz LKINGQPVTMRIMP-ZETCQYMHSA-N 1 0 303.175 2.164 20 10 DECDRO C[C@H](NCC1C[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817964684 647395887 /nfs/dbraw/zinc/39/58/87/647395887.db2.gz DRUIHCQGICQYNR-LBPRGKRZSA-N 1 0 309.841 2.047 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CNCC[C@H]3C)C2)cc1 ZINC000818616401 647488891 /nfs/dbraw/zinc/48/88/91/647488891.db2.gz WDQPIVYHIUBPKL-IIDMSEBBSA-N 1 0 303.450 2.109 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CNCC[C@@H]3C)C2)cc1 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CN(C)c1ccc(/C=C/CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000827126131 648977078 /nfs/dbraw/zinc/97/70/78/648977078.db2.gz WOWKEVQAWRWLAQ-RTLBZRNLSA-N 1 0 315.461 2.172 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000827661972 649063515 /nfs/dbraw/zinc/06/35/15/649063515.db2.gz JFDXLACUPXLJAR-SFHVURJKSA-N 1 0 302.418 2.430 20 10 DECDRO O=C1OCCN1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000827740619 649078648 /nfs/dbraw/zinc/07/86/48/649078648.db2.gz DMUGUXHSAKNYPO-UHFFFAOYSA-N 1 0 310.781 2.462 20 10 DECDRO COCCOC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000827813098 649089575 /nfs/dbraw/zinc/08/95/75/649089575.db2.gz KTHALZJGRIBKET-KRWDZBQOSA-N 1 0 323.433 2.161 20 10 DECDRO CN(c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1)C1CCCCC1 ZINC000827820928 649090775 /nfs/dbraw/zinc/09/07/75/649090775.db2.gz GTXCOUSDBNQCAA-QGZVFWFLSA-N 1 0 301.434 2.434 20 10 DECDRO COc1cc(C[N@@H+]2CCCN(C=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000827867657 649096612 /nfs/dbraw/zinc/09/66/12/649096612.db2.gz LVAQPQWZWUTAOE-UHFFFAOYSA-N 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COCCCn1nccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845972699 651298596 /nfs/dbraw/zinc/29/85/96/651298596.db2.gz SSSXJAQBZFQHFL-ZDUSSCGKSA-N 1 0 319.405 2.485 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N(C)C)nc2)c1 ZINC000845972358 651298701 /nfs/dbraw/zinc/29/87/01/651298701.db2.gz NNGBZRMKPXCHPW-LLVKDONJSA-N 1 0 302.378 2.108 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c(O)c1 ZINC000846055131 651304788 /nfs/dbraw/zinc/30/47/88/651304788.db2.gz GMMSUTGDPADUQM-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(Cl)c1 ZINC000846074716 651306620 /nfs/dbraw/zinc/30/66/20/651306620.db2.gz ZFTILLSQHWIFLD-NSHDSACASA-N 1 0 308.809 2.455 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1O ZINC000846136110 651310214 /nfs/dbraw/zinc/31/02/14/651310214.db2.gz GWOKLXXKLLPHBY-HUUCEWRRSA-N 1 0 322.449 2.408 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCc2nnc3ccccn32)c1O ZINC000846138110 651310535 /nfs/dbraw/zinc/31/05/35/651310535.db2.gz SRVDJTDTBGGKSZ-GFCCVEGCSA-N 1 0 312.373 2.337 20 10 DECDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1=O ZINC000846170645 651312836 /nfs/dbraw/zinc/31/28/36/651312836.db2.gz BLZICXUWOWYVOQ-STQMWFEESA-N 1 0 306.406 2.310 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846188425 651314274 /nfs/dbraw/zinc/31/42/74/651314274.db2.gz OPTCKEVSNYOIKJ-UHFFFAOYSA-N 1 0 318.465 2.413 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846205920 651315078 /nfs/dbraw/zinc/31/50/78/651315078.db2.gz KQXWRSJOOQZUHA-NWDGAFQWSA-N 1 0 304.390 2.062 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1F ZINC000846672583 651344672 /nfs/dbraw/zinc/34/46/72/651344672.db2.gz IMFCODYUIPVOSZ-UHFFFAOYSA-N 1 0 315.392 2.323 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1 ZINC000846697938 651346775 /nfs/dbraw/zinc/34/67/75/651346775.db2.gz ZDSDXUFHPDSVPX-YOEHRIQHSA-N 1 0 321.465 2.209 20 10 DECDRO C[C@@H]1COCCN1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000846913775 651361499 /nfs/dbraw/zinc/36/14/99/651361499.db2.gz UJWRHMXTWBTYOV-MRXNPFEDSA-N 1 0 317.477 2.438 20 10 DECDRO C/C(=C/c1ccccn1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394066 651455750 /nfs/dbraw/zinc/45/57/50/651455750.db2.gz MODNXKMAJMKJLM-RXXLQFRUSA-N 1 0 324.428 2.367 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848415029 651457188 /nfs/dbraw/zinc/45/71/88/651457188.db2.gz QMYJMZXNRJYYPT-AEFFLSMTSA-N 1 0 301.434 2.067 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848427667 651458430 /nfs/dbraw/zinc/45/84/30/651458430.db2.gz OLACROADICSODY-MJGOQNOKSA-N 1 0 315.461 2.491 20 10 DECDRO COc1ccc(O)c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000848534438 651468243 /nfs/dbraw/zinc/46/82/43/651468243.db2.gz PSMYXUJIKJZITP-QGZVFWFLSA-N 1 0 320.433 2.134 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)cc1 ZINC000848562511 651471239 /nfs/dbraw/zinc/47/12/39/651471239.db2.gz DXWSARZRZZZDDK-HIFRSBDPSA-N 1 0 313.449 2.479 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848563177 651471533 /nfs/dbraw/zinc/47/15/33/651471533.db2.gz QNNLZTSOHBUFLS-SOUVJXGZSA-N 1 0 322.449 2.378 20 10 DECDRO CCc1cccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1O ZINC000848895171 651549241 /nfs/dbraw/zinc/54/92/41/651549241.db2.gz RQIPNQJELDSWLV-INIZCTEOSA-N 1 0 315.417 2.311 20 10 DECDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(CC)c1O ZINC000848904296 651553855 /nfs/dbraw/zinc/55/38/55/651553855.db2.gz PPXHLOFILGKLHD-CVEARBPZSA-N 1 0 321.417 2.497 20 10 DECDRO CCc1cccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000848908185 651555215 /nfs/dbraw/zinc/55/52/15/651555215.db2.gz YQEBPXYPVWJOQQ-UHFFFAOYSA-N 1 0 306.450 2.497 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848919575 651560798 /nfs/dbraw/zinc/56/07/98/651560798.db2.gz NRJWENHWVAWFOI-OAHLLOKOSA-N 1 0 310.825 2.389 20 10 DECDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000848921771 651562535 /nfs/dbraw/zinc/56/25/35/651562535.db2.gz WRWIOJAQAHWWNF-OAHLLOKOSA-N 1 0 306.381 2.268 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1F ZINC000112746873 651582103 /nfs/dbraw/zinc/58/21/03/651582103.db2.gz ROHPBWGVERRCTP-UHFFFAOYSA-N 1 0 322.428 2.129 20 10 DECDRO CCC[N@H+](C)CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856281714 651887502 /nfs/dbraw/zinc/88/75/02/651887502.db2.gz IIRJGSYLFSELSD-VQHVLOKHSA-N 1 0 306.406 2.348 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(C)ccc3O)C2)cc1 ZINC000850345660 651905055 /nfs/dbraw/zinc/90/50/55/651905055.db2.gz HHLFXLCYXAEPIJ-CQSZACIVSA-N 1 0 313.401 2.473 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000850353329 651909186 /nfs/dbraw/zinc/90/91/86/651909186.db2.gz AIVHPEXVBFKNKN-UKPHBRMFSA-N 1 0 323.433 2.447 20 10 DECDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000850389528 651917097 /nfs/dbraw/zinc/91/70/97/651917097.db2.gz YZDJQRHVRCLXAO-IAGOWNOFSA-N 1 0 320.408 2.055 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000850396643 651920899 /nfs/dbraw/zinc/92/08/99/651920899.db2.gz MLWCNGNPIPTNBV-INIZCTEOSA-N 1 0 320.433 2.134 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000850401295 651921996 /nfs/dbraw/zinc/92/19/96/651921996.db2.gz WWUIVMDPDNLHIA-KRWDZBQOSA-N 1 0 309.406 2.058 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000850412914 651923642 /nfs/dbraw/zinc/92/36/42/651923642.db2.gz LKLVSJUGFBBFIS-UHFFFAOYSA-N 1 0 306.406 2.316 20 10 DECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568513 651955446 /nfs/dbraw/zinc/95/54/46/651955446.db2.gz ZNYPQFJSDRXWLV-HNNXBMFYSA-N 1 0 306.450 2.288 20 10 DECDRO C[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000109773291 652073542 /nfs/dbraw/zinc/07/35/42/652073542.db2.gz OMNFGLIMELHSGG-UHFFFAOYSA-N 1 0 301.371 2.094 20 10 DECDRO COCCOC[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145873 652264855 /nfs/dbraw/zinc/26/48/55/652264855.db2.gz IFUZWELMVGSORU-LLVKDONJSA-N 1 0 302.365 2.172 20 10 DECDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858229355 652284703 /nfs/dbraw/zinc/28/47/03/652284703.db2.gz UBDXMGRSVHBIID-MAUKXSAKSA-N 1 0 302.418 2.180 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000858239376 652287299 /nfs/dbraw/zinc/28/72/99/652287299.db2.gz MULZAGLNQAPLHX-UHFFFAOYSA-N 1 0 306.387 2.492 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000852503551 652411950 /nfs/dbraw/zinc/41/19/50/652411950.db2.gz WXBUWKFRVVCYSB-QGZVFWFLSA-N 1 0 307.365 2.471 20 10 DECDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1C[NH2+]CCO1 ZINC000852751876 652449396 /nfs/dbraw/zinc/44/93/96/652449396.db2.gz JHTRKKONRQNTBY-DOTOQJQBSA-N 1 0 304.434 2.318 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000852885805 652475264 /nfs/dbraw/zinc/47/52/64/652475264.db2.gz URNLNWMQKUZPFP-LLVKDONJSA-N 1 0 304.390 2.240 20 10 DECDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853635462 652582316 /nfs/dbraw/zinc/58/23/16/652582316.db2.gz QDJRRKQLNYTZTL-RHSMWYFYSA-N 1 0 321.417 2.455 20 10 DECDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000090538926 684032098 /nfs/dbraw/zinc/03/20/98/684032098.db2.gz YYDHSZNHIGRYBI-GFCCVEGCSA-N 1 0 303.366 2.208 20 10 DECDRO CCN1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1=O ZINC000189213709 684375552 /nfs/dbraw/zinc/37/55/52/684375552.db2.gz ZGZWAFMFIMYCQP-UHFFFAOYSA-N 1 0 302.418 2.325 20 10 DECDRO C[NH+](C)CC[C@H](NC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000928831563 693852240 /nfs/dbraw/zinc/85/22/40/693852240.db2.gz ORMGPXWXVYSAKV-ZDUSSCGKSA-N 1 0 305.403 2.272 20 10 DECDRO C[C@@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C[NH2+]1 ZINC000861610258 686159009 /nfs/dbraw/zinc/15/90/09/686159009.db2.gz ZLSFUQUBYFJADL-MNOVXSKESA-N 1 0 314.480 2.065 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3C[C@@H](C(N)=O)C3)c2c1 ZINC000863321776 686476705 /nfs/dbraw/zinc/47/67/05/686476705.db2.gz BXSAQXWPOXHKOW-BETUJISGSA-N 1 0 314.385 2.250 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000865663538 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CN1CCCc2cc(C[NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)ccc21 ZINC000872199880 688950254 /nfs/dbraw/zinc/95/02/54/688950254.db2.gz SENWCPWVQMAGNV-IEBWSBKVSA-N 1 0 318.461 2.071 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC3(COC3)O2)cc1 ZINC000930848755 694253599 /nfs/dbraw/zinc/25/35/99/694253599.db2.gz HVNRVJFJGDAURJ-KRWDZBQOSA-N 1 0 320.433 2.011 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)c1O ZINC000872673589 689062471 /nfs/dbraw/zinc/06/24/71/689062471.db2.gz OAJBMSIMPYBQSV-AWEZNQCLSA-N 1 0 306.406 2.152 20 10 DECDRO COc1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1Cn1cccn1 ZINC000873049250 689148762 /nfs/dbraw/zinc/14/87/62/689148762.db2.gz DCIMYESIBPCXJC-GOSISDBHSA-N 1 0 315.417 2.456 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)cc1Cn1cccn1 ZINC000873059543 689151250 /nfs/dbraw/zinc/15/12/50/689151250.db2.gz TVMMDQARPYMXGA-GJZGRUSLSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@@](C)(CO)C2CC2)cc1Cn1cccn1 ZINC000873074537 689154377 /nfs/dbraw/zinc/15/43/77/689154377.db2.gz 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CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC000876763268 689929515 /nfs/dbraw/zinc/92/95/15/689929515.db2.gz JROQLXBPGPVDMM-DLBZAZTESA-N 1 0 305.418 2.453 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[C@H]1O ZINC000876804897 689942459 /nfs/dbraw/zinc/94/24/59/689942459.db2.gz VSTJDUKLXZQPBF-VQIMIIECSA-N 1 0 318.461 2.241 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)c1 ZINC000876879091 689962470 /nfs/dbraw/zinc/96/24/70/689962470.db2.gz NQIQORDHCBPBPU-BVAIOKDQSA-N 1 0 304.390 2.134 20 10 DECDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876888318 689964885 /nfs/dbraw/zinc/96/48/85/689964885.db2.gz BVBQEZXUFFMKGR-UHFFFAOYSA-N 1 0 305.466 2.078 20 10 DECDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)/C=C/[C@H]1CCC[NH2+]C1)CC2 ZINC000876905894 689969438 /nfs/dbraw/zinc/96/94/38/689969438.db2.gz ZTOOJJHJSYQFFI-MUBLQREKSA-N 1 0 315.373 2.348 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000876966315 689984704 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CC[N@@H+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000877517636 690138373 /nfs/dbraw/zinc/13/83/73/690138373.db2.gz PJINQGLENDXWSM-INIZCTEOSA-N 1 0 317.477 2.174 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C)cc3O)[C@H]2C1 ZINC000877536184 690144617 /nfs/dbraw/zinc/14/46/17/690144617.db2.gz KJXSBDCBWUBGMB-ULQDDVLXSA-N 1 0 302.418 2.437 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)O ZINC000877552567 690149631 /nfs/dbraw/zinc/14/96/31/690149631.db2.gz QLVAANXATGSHAO-QGZVFWFLSA-N 1 0 306.450 2.287 20 10 DECDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877594793 690162160 /nfs/dbraw/zinc/16/21/60/690162160.db2.gz KHUCPEBXSTWTST-WBVHZDCISA-N 1 0 318.461 2.098 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]CCCc3cnn(C)c3)C2)cc1 ZINC000877620760 690170149 /nfs/dbraw/zinc/17/01/49/690170149.db2.gz NFOPTHUCCRFDBR-INIZCTEOSA-N 1 0 314.433 2.230 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3ccns3)cc2)CC1 ZINC000877637192 690175036 /nfs/dbraw/zinc/17/50/36/690175036.db2.gz PZVLUCHWAVLAHS-UHFFFAOYSA-N 1 0 303.431 2.394 20 10 DECDRO C[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1O ZINC000877757639 690217586 /nfs/dbraw/zinc/21/75/86/690217586.db2.gz PEITXBHWDUKXJC-OCCSQVGLSA-N 1 0 302.378 2.014 20 10 DECDRO C[NH+](C)C1(C)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000931357231 694376744 /nfs/dbraw/zinc/37/67/44/694376744.db2.gz TVLWINGZXPLXMI-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO Cc1cc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)ccc1N(C)C ZINC000879043589 690556120 /nfs/dbraw/zinc/55/61/20/690556120.db2.gz IXTQKWAZVZXGMC-INIZCTEOSA-N 1 0 307.413 2.096 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(OC)c1 ZINC000879463947 690647073 /nfs/dbraw/zinc/64/70/73/690647073.db2.gz VXTXSQOYTDLVTB-NVXWUHKLSA-N 1 0 320.433 2.129 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000879571552 690675837 /nfs/dbraw/zinc/67/58/37/690675837.db2.gz BQXPXDKDCDNYGR-WBMJQRKESA-N 1 0 306.381 2.260 20 10 DECDRO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653511 690699790 /nfs/dbraw/zinc/69/97/90/690699790.db2.gz QWECMZZQJBFOBB-ZDUSSCGKSA-N 1 0 314.385 2.368 20 10 DECDRO Cc1ccc(O)c(CNC(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000880602247 690938533 /nfs/dbraw/zinc/93/85/33/690938533.db2.gz BRNLUROUUNKDMS-UHFFFAOYSA-N 1 0 314.389 2.479 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CC2)cc1 ZINC001039061746 691007010 /nfs/dbraw/zinc/00/70/10/691007010.db2.gz TYUIBULKOMKCGC-CQSZACIVSA-N 1 0 315.377 2.063 20 10 DECDRO Cc1cncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881851025 691173946 /nfs/dbraw/zinc/17/39/46/691173946.db2.gz NKFSDININVZGLV-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000881853104 691173951 /nfs/dbraw/zinc/17/39/51/691173951.db2.gz JIEASDMKQSOMCC-OAHLLOKOSA-N 1 0 315.461 2.491 20 10 DECDRO CCC(F)(F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855444 691174357 /nfs/dbraw/zinc/17/43/57/691174357.db2.gz WVDKAIFNODQZMH-UHFFFAOYSA-N 1 0 311.376 2.100 20 10 DECDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931621998 694441667 /nfs/dbraw/zinc/44/16/67/694441667.db2.gz MVPNFDLYKXGNIG-RBUKOAKNSA-N 1 0 315.461 2.192 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCOC1 ZINC000883182049 691451021 /nfs/dbraw/zinc/45/10/21/691451021.db2.gz QMNWJMBOZGPVIF-ZBFHGGJFSA-N 1 0 310.413 2.423 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000883308255 691479313 /nfs/dbraw/zinc/47/93/13/691479313.db2.gz LJOUZHIYNNJTNE-WCQYABFASA-N 1 0 313.419 2.019 20 10 DECDRO CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883670430 691560964 /nfs/dbraw/zinc/56/09/64/691560964.db2.gz JFLSVKNDTZECGK-NVXWUHKLSA-N 1 0 316.449 2.036 20 10 DECDRO [NH3+][C@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884304892 691705270 /nfs/dbraw/zinc/70/52/70/691705270.db2.gz FKYALSVELLWCIU-HZPDHXFCSA-N 1 0 318.417 2.027 20 10 DECDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000884484089 691749397 /nfs/dbraw/zinc/74/93/97/691749397.db2.gz IARSGGHGVQEFHZ-HNNXBMFYSA-N 1 0 304.390 2.201 20 10 DECDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000886595080 692122903 /nfs/dbraw/zinc/12/29/03/692122903.db2.gz AJUHGCAMSYPJRP-KEDPEKRHSA-N 1 0 318.417 2.300 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896385605 693000951 /nfs/dbraw/zinc/00/09/51/693000951.db2.gz HJOIRGGIODUEHC-JTQLQIEISA-N 1 0 313.781 2.249 20 10 DECDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000924864325 693195128 /nfs/dbraw/zinc/19/51/28/693195128.db2.gz AAIBUPGMVZLOIR-CJNGLKHVSA-N 1 0 301.434 2.216 20 10 DECDRO C[C@H]1[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)CC[N@@H+]1C ZINC000925328132 693257553 /nfs/dbraw/zinc/25/75/53/693257553.db2.gz UXIMIKXSDFMSDM-BLLLJJGKSA-N 1 0 317.433 2.163 20 10 DECDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925501505 693284336 /nfs/dbraw/zinc/28/43/36/693284336.db2.gz ISZYFTXJZMUHOK-SUMWQHHRSA-N 1 0 321.440 2.017 20 10 DECDRO COc1ccc(N2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925710045 693327831 /nfs/dbraw/zinc/32/78/31/693327831.db2.gz BGXVUYDFVBGTJG-WMLDXEAASA-N 1 0 301.434 2.148 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cnn(C)n3)C2)cc1 ZINC000926612258 693478742 /nfs/dbraw/zinc/47/87/42/693478742.db2.gz MZWWCZPESIGNPN-UONOGXRCSA-N 1 0 315.421 2.001 20 10 DECDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000926724818 693500188 /nfs/dbraw/zinc/50/01/88/693500188.db2.gz NGFJCCPJZBPXBE-QWQRMKEZSA-N 1 0 304.434 2.161 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000927132731 693559002 /nfs/dbraw/zinc/55/90/02/693559002.db2.gz WPYCSBHRKOWIPN-IINYFYTJSA-N 1 0 309.797 2.472 20 10 DECDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(N(C)C)cc1 ZINC001335058473 1150371677 /nfs/dbraw/zinc/37/16/77/1150371677.db2.gz BGBUXPAQDQPDNK-HNNXBMFYSA-N 1 0 305.466 2.108 20 10 DECDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001335289539 1150392927 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COc1ccc(C[NH2+]CCNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001125354026 776827641 /nfs/dbraw/zinc/82/76/41/776827641.db2.gz GGOUWKMRQANJES-QLPKVWCKSA-N 1 0 302.418 2.256 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccc4[nH]cnc4n3)cc2)CC1 ZINC001167423051 777015919 /nfs/dbraw/zinc/01/59/19/777015919.db2.gz LJEMYPHONCSSCP-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO CN(C)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC001140921434 778016324 /nfs/dbraw/zinc/01/63/24/778016324.db2.gz CUSPPHXFAHABHH-HNNXBMFYSA-N 1 0 311.857 2.168 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026699 778127835 /nfs/dbraw/zinc/12/78/35/778127835.db2.gz ZKMWPQSLGGVZNL-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCOCC2)cc1C ZINC001126442655 779053732 /nfs/dbraw/zinc/05/37/32/779053732.db2.gz RXAHQUVDNYLYGT-INIZCTEOSA-N 1 0 320.433 2.026 20 10 DECDRO Cc1cc(NC2CC2)nc(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001168008740 779292751 /nfs/dbraw/zinc/29/27/51/779292751.db2.gz CILVBLMGJKTBEN-UHFFFAOYSA-N 1 0 316.361 2.131 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)OC)cc1C ZINC001155532168 784524949 /nfs/dbraw/zinc/52/49/49/784524949.db2.gz JQIQAJAPDZRKCN-CQSZACIVSA-N 1 0 308.422 2.025 20 10 DECDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001168962379 784988423 /nfs/dbraw/zinc/98/84/23/784988423.db2.gz MBQXAIUVHRJXMJ-HZPDHXFCSA-N 1 0 319.405 2.058 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccccc2)cc1C ZINC001130350590 787357197 /nfs/dbraw/zinc/35/71/97/787357197.db2.gz XHPZZLNNLDBLJW-UHFFFAOYSA-N 1 0 312.413 2.452 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001135087221 789195170 /nfs/dbraw/zinc/19/51/70/789195170.db2.gz BHNROMQEKWMHSW-JKSUJKDBSA-N 1 0 302.418 2.256 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccnc(C)c2)cc1C ZINC001135580256 789407084 /nfs/dbraw/zinc/40/70/84/789407084.db2.gz YGMHSNOUYQWALB-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO COc1cccc2c1C[C@@H]([NH2+]Cc1cccc(O)c1O)CO2 ZINC001173164994 793592302 /nfs/dbraw/zinc/59/23/02/793592302.db2.gz RCARUZFDJULJFT-GFCCVEGCSA-N 1 0 301.342 2.200 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2ccc[nH]2)cc1C ZINC001176651391 794476767 /nfs/dbraw/zinc/47/67/67/794476767.db2.gz BLSJPPFEFHQSPM-UHFFFAOYSA-N 1 0 315.417 2.170 20 10 DECDRO c1cnc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cn1 ZINC001116441076 794956587 /nfs/dbraw/zinc/95/65/87/794956587.db2.gz HGIIACUNSMMNJO-UHFFFAOYSA-N 1 0 323.444 2.399 20 10 DECDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001180116984 795243622 /nfs/dbraw/zinc/24/36/22/795243622.db2.gz QQKGNNUFAGAYHA-KRWDZBQOSA-N 1 0 321.417 2.262 20 10 DECDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204276000 795346777 /nfs/dbraw/zinc/34/67/77/795346777.db2.gz DESSHJNKEKRNDI-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C(C)C)ccc1O ZINC001180977420 795401021 /nfs/dbraw/zinc/40/10/21/795401021.db2.gz OSYXNTDCJJXFRB-WMZOPIPTSA-N 1 0 323.433 2.426 20 10 DECDRO Cc1cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)cc1Br ZINC001206454407 795481768 /nfs/dbraw/zinc/48/17/68/795481768.db2.gz DPVXIINBNYKURL-WDEREUQCSA-N 1 0 317.202 2.334 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccno3)C2)cc1 ZINC001182854819 795766708 /nfs/dbraw/zinc/76/67/08/795766708.db2.gz LYEHHUVDIHSUJO-UONOGXRCSA-N 1 0 301.390 2.483 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccno3)C2)cc1 ZINC001182854821 795767419 /nfs/dbraw/zinc/76/74/19/795767419.db2.gz LYEHHUVDIHSUJO-ZIAGYGMSSA-N 1 0 301.390 2.483 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2c(C)noc2C)cc1C ZINC001123370197 795902028 /nfs/dbraw/zinc/90/20/28/795902028.db2.gz IAYLACXVSBCFIJ-UHFFFAOYSA-N 1 0 317.389 2.128 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)COC2CCCC2)cc1C ZINC001124113859 796036752 /nfs/dbraw/zinc/03/67/52/796036752.db2.gz XSZRPTVLDJVKFI-UHFFFAOYSA-N 1 0 320.433 2.169 20 10 DECDRO C[C@]1(CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC001138215756 796184159 /nfs/dbraw/zinc/18/41/59/796184159.db2.gz SEONFDXHZTUYQB-RTBURBONSA-N 1 0 318.461 2.242 20 10 DECDRO O=C1NCC[C@@]12CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138215827 796184246 /nfs/dbraw/zinc/18/42/46/796184246.db2.gz WRCTZHASNVOQET-IBGZPJMESA-N 1 0 313.445 2.389 20 10 DECDRO Cc1c(C[NH+]2CCN([C@H]3CCOC3)CC2)c2ccccc2n1C ZINC001138252865 796188483 /nfs/dbraw/zinc/18/84/83/796188483.db2.gz XCBGQKVCPPESDE-INIZCTEOSA-N 1 0 313.445 2.393 20 10 DECDRO OC[C@@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337934 796199136 /nfs/dbraw/zinc/19/91/36/796199136.db2.gz GXGUXVHGNIHRKA-HNNXBMFYSA-N 1 0 302.418 2.048 20 10 DECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339413 796200228 /nfs/dbraw/zinc/20/02/28/796200228.db2.gz DNTUQDYQXNXGQL-CZUORRHYSA-N 1 0 316.445 2.436 20 10 DECDRO CN1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138494605 796226294 /nfs/dbraw/zinc/22/62/94/796226294.db2.gz ATHZWSGVQUQXMY-UHFFFAOYSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@H]1O ZINC001138496467 796227635 /nfs/dbraw/zinc/22/76/35/796227635.db2.gz QMRRABPIDYAAGH-MAUKXSAKSA-N 1 0 304.434 2.116 20 10 DECDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404517 796370624 /nfs/dbraw/zinc/37/06/24/796370624.db2.gz LYWNLWROAHHPRS-GOSISDBHSA-N 1 0 303.450 2.049 20 10 DECDRO COCCC[NH+]1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139673580 796408063 /nfs/dbraw/zinc/40/80/63/796408063.db2.gz UOOVUBAGLRSGTJ-UHFFFAOYSA-N 1 0 305.466 2.215 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC([NH+](C)C)C2)c1 ZINC001186828757 796448967 /nfs/dbraw/zinc/44/89/67/796448967.db2.gz HRTNMVFQCZOOIW-UHFFFAOYSA-N 1 0 313.401 2.186 20 10 DECDRO CCCNC(=O)COC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055897 796471250 /nfs/dbraw/zinc/47/12/50/796471250.db2.gz AEIPWEIUMQTYDR-UHFFFAOYSA-N 1 0 324.396 2.039 20 10 DECDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140285467 796501495 /nfs/dbraw/zinc/50/14/95/796501495.db2.gz LBPHSTKVNZYCEI-KRWDZBQOSA-N 1 0 316.445 2.449 20 10 DECDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664181 796553084 /nfs/dbraw/zinc/55/30/84/796553084.db2.gz AZHHRULONPDWHV-MRXNPFEDSA-N 1 0 308.397 2.273 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1CN1CCOCC12CCC2 ZINC001140663616 796553274 /nfs/dbraw/zinc/55/32/74/796553274.db2.gz LRURESVHTNBFHB-UHFFFAOYSA-N 1 0 320.408 2.417 20 10 DECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663368 796553684 /nfs/dbraw/zinc/55/36/84/796553684.db2.gz BWLAUYYDPAEXKD-CJNGLKHVSA-N 1 0 308.397 2.008 20 10 DECDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140750011 796567209 /nfs/dbraw/zinc/56/72/09/796567209.db2.gz SEMSVRYEFOKNGF-UHFFFAOYSA-N 1 0 306.406 2.239 20 10 DECDRO COc1cc2c(cn1)CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140750999 796567649 /nfs/dbraw/zinc/56/76/49/796567649.db2.gz GFYXRLBLHJTQAZ-UHFFFAOYSA-N 1 0 300.358 2.368 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC001140851030 796583833 /nfs/dbraw/zinc/58/38/33/796583833.db2.gz YWIPFUMZPZNFDR-CALCHBBNSA-N 1 0 308.422 2.084 20 10 DECDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c(OC)c1 ZINC001141026783 796620440 /nfs/dbraw/zinc/62/04/40/796620440.db2.gz CTRXODCKVUWQLM-ZDUSSCGKSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c(OC)c1 ZINC001141028181 796620603 /nfs/dbraw/zinc/62/06/03/796620603.db2.gz FBJSMOQXZCCOPJ-UHFFFAOYSA-N 1 0 321.373 2.081 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)[C@H]1C ZINC001141029284 796621398 /nfs/dbraw/zinc/62/13/98/796621398.db2.gz NZOGRJRBTJIMJX-WCQYABFASA-N 1 0 323.389 2.183 20 10 DECDRO CC[N@@H+]1CCN(Cc2c(O)cc(OC)cc2OC)C(C)(C)C1 ZINC001141033060 796622524 /nfs/dbraw/zinc/62/25/24/796622524.db2.gz YBWFGHQYOUASMF-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(OC)c1 ZINC001141031962 796622624 /nfs/dbraw/zinc/62/26/24/796622624.db2.gz OOUQRSVXVYNLOS-QGZVFWFLSA-N 1 0 309.406 2.394 20 10 DECDRO CN1CCOc2cc(CN3CC([NH+]4CCCCC4)C3)ccc21 ZINC001141144285 796639111 /nfs/dbraw/zinc/63/91/11/796639111.db2.gz YMUVETCBLOAYSL-UHFFFAOYSA-N 1 0 301.434 2.185 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)ccc21 ZINC001141146318 796639676 /nfs/dbraw/zinc/63/96/76/796639676.db2.gz SATZIVNSKCDZNX-LSDHHAIUSA-N 1 0 300.402 2.316 20 10 DECDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141159709 796642066 /nfs/dbraw/zinc/64/20/66/796642066.db2.gz IRJZHTZARDCQQX-SFHVURJKSA-N 1 0 310.353 2.194 20 10 DECDRO O=C(NC1CC[NH+](Cc2cc(O)ccc2O)CC1)C1CCCC1 ZINC001141159091 796642498 /nfs/dbraw/zinc/64/24/98/796642498.db2.gz YNRIAMLQCGGDMW-UHFFFAOYSA-N 1 0 318.417 2.369 20 10 DECDRO Oc1cc(F)c(F)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001142524540 796747292 /nfs/dbraw/zinc/74/72/92/796747292.db2.gz AMQMVOVMBHKKJW-UHFFFAOYSA-N 1 0 300.324 2.289 20 10 DECDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001142627544 796755479 /nfs/dbraw/zinc/75/54/79/796755479.db2.gz QOAHAGFOYOMVAN-OAHLLOKOSA-N 1 0 320.433 2.411 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1O ZINC001143112323 796803140 /nfs/dbraw/zinc/80/31/40/796803140.db2.gz QFTMEUQFLFYVAL-JSGCOSHPSA-N 1 0 302.418 2.258 20 10 DECDRO CC(C)N(C(=O)c1ccc(O)c(O)c1Cl)C(C)(C)C[NH3+] ZINC001193253827 797530733 /nfs/dbraw/zinc/53/07/33/797530733.db2.gz AKTCYALIDIFLOS-UHFFFAOYSA-N 1 0 300.786 2.339 20 10 DECDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1)N1CCCCC1 ZINC001203879417 798198444 /nfs/dbraw/zinc/19/84/44/798198444.db2.gz QLFRNZGQBTUHBP-OAHLLOKOSA-N 1 0 318.417 2.322 20 10 DECDRO Nc1cccc2c1C(=O)c1cccc(NC3=CCC[NH2+]C3)c1C2=O ZINC001159784291 798607235 /nfs/dbraw/zinc/60/72/35/798607235.db2.gz ZJHDHMRALBORCV-UHFFFAOYSA-N 1 0 319.364 2.333 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)ccc1OC ZINC001200552593 798647004 /nfs/dbraw/zinc/64/70/04/798647004.db2.gz RSEFRVLBJZEOMF-MRXNPFEDSA-N 1 0 320.433 2.331 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C2CC(OC)C2)cc1C ZINC001160576053 798707650 /nfs/dbraw/zinc/70/76/50/798707650.db2.gz BIOIQFFWYSFPDE-UHFFFAOYSA-N 1 0 320.433 2.025 20 10 DECDRO Oc1ccccc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203552069 800077782 /nfs/dbraw/zinc/07/77/82/800077782.db2.gz ZATXOYSUKBDMRF-HDICACEKSA-N 1 0 309.413 2.351 20 10 DECDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2c1cnn2C ZINC001203551895 800078617 /nfs/dbraw/zinc/07/86/17/800078617.db2.gz RYVMMINYXVSKTK-AWEZNQCLSA-N 1 0 301.390 2.262 20 10 DECDRO Oc1ccccc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203551863 800079738 /nfs/dbraw/zinc/07/97/38/800079738.db2.gz RCIRBXYEFKTNLG-IAGOWNOFSA-N 1 0 309.413 2.351 20 10 DECDRO Oc1ccccc1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001203558302 800080257 /nfs/dbraw/zinc/08/02/57/800080257.db2.gz CMKVSTHZFGXVQF-UHFFFAOYSA-N 1 0 304.781 2.158 20 10 DECDRO COc1cccc(CN2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001203588998 800085582 /nfs/dbraw/zinc/08/55/82/800085582.db2.gz AMVAYDRWRXIAQB-MRXNPFEDSA-N 1 0 324.380 2.414 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c1 ZINC001203675096 800104192 /nfs/dbraw/zinc/10/41/92/800104192.db2.gz MHPWWGPLIXRWOW-GOSISDBHSA-N 1 0 318.417 2.378 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)cc1 ZINC001203941662 800148737 /nfs/dbraw/zinc/14/87/37/800148737.db2.gz DWBKNXDCAXKUHN-RDJZCZTQSA-N 1 0 301.434 2.101 20 10 DECDRO Oc1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001204276903 800199408 /nfs/dbraw/zinc/19/94/08/800199408.db2.gz SYTMGTLHYIBVRT-CYBMUJFWSA-N 1 0 305.296 2.377 20 10 DECDRO COC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(O)cc1O ZINC001204281577 800200142 /nfs/dbraw/zinc/20/01/42/800200142.db2.gz WRWKUTTYWKCSBN-INIZCTEOSA-N 1 0 315.369 2.314 20 10 DECDRO O=C(C1CC[NH+](Cc2ccc(O)cc2O)CC1)C(F)(F)F ZINC001204278860 800200272 /nfs/dbraw/zinc/20/02/72/800200272.db2.gz KVTFWJKGLXUPBO-UHFFFAOYSA-N 1 0 303.280 2.441 20 10 DECDRO Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)nc1 ZINC001204280696 800200669 /nfs/dbraw/zinc/20/06/69/800200669.db2.gz BYLVKXHJRDBNBS-HNNXBMFYSA-N 1 0 315.373 2.240 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204329174 800205261 /nfs/dbraw/zinc/20/52/61/800205261.db2.gz ZUJXQLMKARHYOU-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO CC[NH+](CC)C1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204345412 800207000 /nfs/dbraw/zinc/20/70/00/800207000.db2.gz RCIIWDFUWVQBQT-UHFFFAOYSA-N 1 0 308.422 2.413 20 10 DECDRO CN(c1cccc(CCN2CCOCC2)c1)c1cc(N)cc[nH+]1 ZINC001204366421 800209957 /nfs/dbraw/zinc/20/99/57/800209957.db2.gz UAUMWLMFMLVCAU-UHFFFAOYSA-N 1 0 312.417 2.306 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(N)CC[NH2+]C3)n2)cc1 ZINC001204874310 800268943 /nfs/dbraw/zinc/26/89/43/800268943.db2.gz OJSQSOBFOUZQNA-GOSISDBHSA-N 1 0 323.400 2.291 20 10 DECDRO CCOc1cccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205760806 800415190 /nfs/dbraw/zinc/41/51/90/800415190.db2.gz CWQQPVGFGRUTIL-GFCCVEGCSA-N 1 0 300.349 2.207 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(OC)c1 ZINC001206416270 800527455 /nfs/dbraw/zinc/52/74/55/800527455.db2.gz YPTCPGSETUHVIA-LSDHHAIUSA-N 1 0 309.429 2.413 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206492589 800543478 /nfs/dbraw/zinc/54/34/78/800543478.db2.gz XZGCQMSFSWBEOO-XHDPSFHLSA-N 1 0 312.841 2.095 20 10 DECDRO C[C@@]1(CO)C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1O ZINC001231587014 801690664 /nfs/dbraw/zinc/69/06/64/801690664.db2.gz POANRMMZOVRUTP-ROUUACIJSA-N 1 0 301.386 2.111 20 10 DECDRO CCN1CC[C@@]2(C[N@H+](Cc3cccc(C)c3O)C[C@@H]2C)C1=O ZINC001231593297 801692463 /nfs/dbraw/zinc/69/24/63/801692463.db2.gz UISONHMWYLJEPR-KSSFIOAISA-N 1 0 302.418 2.391 20 10 DECDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)cc1O ZINC001231637221 801700657 /nfs/dbraw/zinc/70/06/57/801700657.db2.gz AUCLFDVYQMPUNJ-UONOGXRCSA-N 1 0 324.396 2.115 20 10 DECDRO Cc1cc(C)c(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001231850188 801737109 /nfs/dbraw/zinc/73/71/09/801737109.db2.gz LJFOVMULODGEGO-MRXNPFEDSA-N 1 0 304.434 2.306 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001231853112 801737193 /nfs/dbraw/zinc/73/71/93/801737193.db2.gz FCQJOSPXNKNRKE-QGZVFWFLSA-N 1 0 303.450 2.431 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001231853875 801737487 /nfs/dbraw/zinc/73/74/87/801737487.db2.gz SVXKHXDFTIFRKV-PBHICJAKSA-N 1 0 303.450 2.287 20 10 DECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854108 801738232 /nfs/dbraw/zinc/73/82/32/801738232.db2.gz ZEACAUVYDFKWRJ-CQSZACIVSA-N 1 0 306.406 2.146 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001231854218 801738512 /nfs/dbraw/zinc/73/85/12/801738512.db2.gz BDEHSDBPAOIWOL-QGZVFWFLSA-N 1 0 319.449 2.204 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001231879934 801743293 /nfs/dbraw/zinc/74/32/93/801743293.db2.gz XMFIPFCHNBVYID-AEFFLSMTSA-N 1 0 301.386 2.111 20 10 DECDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231884126 801744488 /nfs/dbraw/zinc/74/44/88/801744488.db2.gz XUBCOMGQMMGLHC-HNNXBMFYSA-N 1 0 313.401 2.439 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)C1(C)COC1 ZINC001232200293 801814064 /nfs/dbraw/zinc/81/40/64/801814064.db2.gz SFIDIXAOQZUCPR-UHFFFAOYSA-N 1 0 310.825 2.397 20 10 DECDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232196644 801814688 /nfs/dbraw/zinc/81/46/88/801814688.db2.gz DOEHFBMVQWHJDF-CQSZACIVSA-N 1 0 310.825 2.133 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)c(O)c1 ZINC001232838111 801969482 /nfs/dbraw/zinc/96/94/82/801969482.db2.gz PQCHWCXHNKEXRZ-UHFFFAOYSA-N 1 0 312.417 2.305 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(O)c1 ZINC001232839327 801969657 /nfs/dbraw/zinc/96/96/57/801969657.db2.gz GMTOVCAEYARVLX-UHFFFAOYSA-N 1 0 319.449 2.182 20 10 DECDRO CCOC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841344 801970877 /nfs/dbraw/zinc/97/08/77/801970877.db2.gz DDOLJPIFAXYFBK-UHFFFAOYSA-N 1 0 321.421 2.169 20 10 DECDRO C[NH+](C)C1CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233026688 802007184 /nfs/dbraw/zinc/00/71/84/802007184.db2.gz CSCXXCPDIHDFFH-UHFFFAOYSA-N 1 0 303.175 2.040 20 10 DECDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](O)C2)c2ccccc2n1C ZINC001233270626 802059235 /nfs/dbraw/zinc/05/92/35/802059235.db2.gz USTBYTDDOBJLIO-ZDUSSCGKSA-N 1 0 316.401 2.312 20 10 DECDRO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001233287995 802064659 /nfs/dbraw/zinc/06/46/59/802064659.db2.gz QUYZTIBSXFDZGL-NEPJUHHUSA-N 1 0 303.761 2.349 20 10 DECDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001217966031 802124896 /nfs/dbraw/zinc/12/48/96/802124896.db2.gz WGSAQKAGPLFVIF-BMIGLBTASA-N 1 0 323.348 2.154 20 10 DECDRO COc1cc(C[N@H+](C)Cc2cc(O)c(O)cc2O)cc(OC)c1 ZINC001233485506 802127108 /nfs/dbraw/zinc/12/71/08/802127108.db2.gz YQYFKTXOXFKKQB-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1C ZINC001233487767 802129637 /nfs/dbraw/zinc/12/96/37/802129637.db2.gz RFGFAGHUSGPQTP-VXGBXAGGSA-N 1 0 323.389 2.215 20 10 DECDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+][C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218393994 802177753 /nfs/dbraw/zinc/17/77/53/802177753.db2.gz WTKGEBZTGNCBBA-BMIGLBTASA-N 1 0 323.348 2.215 20 10 DECDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(OC(F)(F)F)c1O ZINC001233760054 802200195 /nfs/dbraw/zinc/20/01/95/802200195.db2.gz AVSIFEQWIBOXEI-QWRGUYRKSA-N 1 0 302.296 2.179 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000316683030 802520458 /nfs/dbraw/zinc/52/04/58/802520458.db2.gz XMTAPNBSFFDHEW-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1 ZINC001222447044 802687665 /nfs/dbraw/zinc/68/76/65/802687665.db2.gz JRTKHNXYUFDKGS-UHFFFAOYSA-N 1 0 311.429 2.268 20 10 DECDRO Cc1cc(CN2CCO[C@@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC001222635002 802718603 /nfs/dbraw/zinc/71/86/03/802718603.db2.gz MNVREAONVUOBGT-RTBURBONSA-N 1 0 311.429 2.267 20 10 DECDRO CCO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001334332175 1150272564 /nfs/dbraw/zinc/27/25/64/1150272564.db2.gz JHBFOEXHXUNQMQ-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccs3)C1)[C@H](O)CO2 ZINC001331047563 1149369267 /nfs/dbraw/zinc/36/92/67/1149369267.db2.gz YBIJTSRUTQIBEM-QMTHXVAHSA-N 1 0 318.398 2.264 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCN(C)CC(F)(F)F)c1O ZINC001331532329 1149513359 /nfs/dbraw/zinc/51/33/59/1149513359.db2.gz HQLZXESBVUQLRX-UHFFFAOYSA-N 1 0 306.328 2.293 20 10 DECDRO COc1cc(C)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC001331567300 1149535440 /nfs/dbraw/zinc/53/54/40/1149535440.db2.gz HQCVXZTUWDVYRY-GASCZTMLSA-N 1 0 322.449 2.250 20 10 DECDRO C/C(=C\C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)c1cnccn1 ZINC001574971456 1069315368 /nfs/dbraw/zinc/31/53/68/1069315368.db2.gz DIUCIRMTUIRLOF-CZAWJFPGSA-N 1 0 308.385 2.044 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)c1 ZINC001346197782 1150950460 /nfs/dbraw/zinc/95/04/60/1150950460.db2.gz YBSKTQQONYDJBQ-LLVKDONJSA-N 1 0 319.405 2.057 20 10 DECDRO CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001605471597 1070722849 /nfs/dbraw/zinc/72/28/49/1070722849.db2.gz PBEIUKNQDYKZHD-GFCCVEGCSA-N 1 0 306.406 2.473 20 10 DECDRO CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001605471598 1070723158 /nfs/dbraw/zinc/72/31/58/1070723158.db2.gz PBEIUKNQDYKZHD-LBPRGKRZSA-N 1 0 306.406 2.473 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC([NH2+]C3CC3)CC2)cc1OC ZINC001458243241 1058051616 /nfs/dbraw/zinc/05/16/16/1058051616.db2.gz QIKBTBYHWLYYFR-UHFFFAOYSA-N 1 0 321.377 2.333 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC001462344666 1058806241 /nfs/dbraw/zinc/80/62/41/1058806241.db2.gz UVTRYUZVJRRYLU-CJNGLKHVSA-N 1 0 317.389 2.144 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC(=O)OCC ZINC001473424583 1060681957 /nfs/dbraw/zinc/68/19/57/1060681957.db2.gz NPJZSZLYBONSCD-HNNXBMFYSA-N 1 0 309.406 2.308 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)ccc1OC ZINC001474015689 1060797296 /nfs/dbraw/zinc/79/72/96/1060797296.db2.gz GLTNWYSISINWJP-MRXNPFEDSA-N 1 0 320.433 2.331 20 10 DECDRO CC[C@H](OC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507055298 1062748724 /nfs/dbraw/zinc/74/87/24/1062748724.db2.gz FNJIYDQACMBBIU-ZBFHGGJFSA-N 1 0 322.449 2.365 20 10 DECDRO CC[C@@H](OC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507055295 1062749874 /nfs/dbraw/zinc/74/98/74/1062749874.db2.gz FNJIYDQACMBBIU-GDBMZVCRSA-N 1 0 322.449 2.365 20 10 DECDRO CC[C@@H](CNC(=O)[C@@H](C)OC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567952288 1064556745 /nfs/dbraw/zinc/55/67/45/1064556745.db2.gz WCBUEKUELQQXSF-HIFRSBDPSA-N 1 0 308.422 2.023 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(Cc3nn[nH]n3)CC2)cc1 ZINC001620548889 1078164963 /nfs/dbraw/zinc/16/49/63/1078164963.db2.gz KKEOMMBVJOWDOP-UHFFFAOYSA-N 1 0 314.437 2.111 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)OC)cc1C ZINC001497794643 1066319507 /nfs/dbraw/zinc/31/95/07/1066319507.db2.gz OEQOFUOGDCBKDU-KGLIPLIRSA-N 1 0 308.422 2.023 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001630224345 1078335451 /nfs/dbraw/zinc/33/54/51/1078335451.db2.gz XYOSYOOCFJYXNY-UONOGXRCSA-N 1 0 315.377 2.206 20 10 DECDRO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001630809530 1078349993 /nfs/dbraw/zinc/34/99/93/1078349993.db2.gz OJSTVVFQQGEHCJ-ZDUSSCGKSA-N 1 0 320.389 2.250 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccccc2C[NH3+])cc1F ZINC001578425455 1067096310 /nfs/dbraw/zinc/09/63/10/1067096310.db2.gz DNJLDFIQOUKTTF-UHFFFAOYSA-N 1 0 301.365 2.280 20 10 DECDRO C[NH+](C)[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001637125972 1078504052 /nfs/dbraw/zinc/50/40/52/1078504052.db2.gz JMZCYFPJMNLACM-MRXNPFEDSA-N 1 0 314.385 2.407 20 10 DECDRO Cc1cc(CC(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC001579589442 1067376071 /nfs/dbraw/zinc/37/60/71/1067376071.db2.gz HHZAMCYJXABPRT-RUYXUALKSA-N 1 0 323.440 2.313 20 10 DECDRO Cc1cc(CNC(=O)NC2C[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC001579748361 1067416414 /nfs/dbraw/zinc/41/64/14/1067416414.db2.gz ZYMARNUCLOKJAJ-UHFFFAOYSA-N 1 0 312.417 2.174 20 10 DECDRO [NH3+][C@H](CNCc1ccc(N2CCSCC2)cc1)CC(F)F ZINC001580133239 1067505547 /nfs/dbraw/zinc/50/55/47/1067505547.db2.gz WGJGEDKPOOQJTE-ZDUSSCGKSA-N 1 0 315.433 2.312 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001570601633 1068030795 /nfs/dbraw/zinc/03/07/95/1068030795.db2.gz NZBQKCGYPUWQJU-UONOGXRCSA-N 1 0 322.449 2.147 20 10 DECDRO C[NH+](C)CCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001644753825 1078861037 /nfs/dbraw/zinc/86/10/37/1078861037.db2.gz KXARZRKOYCBZJF-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH+]1CCCC1 ZINC001542121968 1072451679 /nfs/dbraw/zinc/45/16/79/1072451679.db2.gz JRJRZKGZBSWTJC-LBPRGKRZSA-N 1 0 317.393 2.311 20 10 DECDRO C[N@H+](CCN1CC[NH2+]CC1)Cc1c([O-])ccc(Cl)c1Cl ZINC001236081607 1079084496 /nfs/dbraw/zinc/08/44/96/1079084496.db2.gz QZPCBKTVHSAQLK-UHFFFAOYSA-N 1 0 318.248 2.036 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c(O)c1 ZINC001329307404 1148883307 /nfs/dbraw/zinc/88/33/07/1148883307.db2.gz PUDHVPVCLHOGQF-NSHDSACASA-N 1 0 315.373 2.120 20 10 DECDRO C[C@H]1CN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC001560321448 1075137055 /nfs/dbraw/zinc/13/70/55/1075137055.db2.gz PFGGPVCKCJXQFL-KRWDZBQOSA-N 1 0 317.477 2.487 20 10 DECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560463793 1075140730 /nfs/dbraw/zinc/14/07/30/1075140730.db2.gz FZHNXLVSQWZFMO-GOSISDBHSA-N 1 0 323.456 2.074 20 10 DECDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001560628623 1075144093 /nfs/dbraw/zinc/14/40/93/1075144093.db2.gz OJROKUFJANECNV-KRWDZBQOSA-N 1 0 306.450 2.404 20 10 DECDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(Cl)cc1O ZINC001560691696 1075144319 /nfs/dbraw/zinc/14/43/19/1075144319.db2.gz KJVUYGWKORCHAL-UHFFFAOYSA-N 1 0 301.770 2.057 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC001560649564 1075144549 /nfs/dbraw/zinc/14/45/49/1075144549.db2.gz MZKHMBDSIUSJKX-IRXDYDNUSA-N 1 0 307.390 2.089 20 10 DECDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001580713844 1075981097 /nfs/dbraw/zinc/98/10/97/1075981097.db2.gz LQSUJKQKZVKHGF-CQSZACIVSA-N 1 0 318.417 2.274 20 10 DECDRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001580713568 1075981560 /nfs/dbraw/zinc/98/15/60/1075981560.db2.gz CJKKMIJQCZKCIX-DOTOQJQBSA-N 1 0 319.424 2.241 20 10 DECDRO C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001609778755 1077921632 /nfs/dbraw/zinc/92/16/32/1077921632.db2.gz JKDLJTOGZCRDHZ-LBPRGKRZSA-N 1 0 306.406 2.473 20 10 DECDRO CN(CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC[NH+](C)C ZINC001651379990 1079807247 /nfs/dbraw/zinc/80/72/47/1079807247.db2.gz KBGSBXJCQYFUGE-UHFFFAOYSA-N 1 0 317.836 2.158 20 10 DECDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC001655728143 1080015442 /nfs/dbraw/zinc/01/54/42/1080015442.db2.gz DLVLBIHMKQWLFL-GOSISDBHSA-N 1 0 314.433 2.234 20 10 DECDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001655899055 1080024731 /nfs/dbraw/zinc/02/47/31/1080024731.db2.gz SAJCFDXAITXGHV-NVXWUHKLSA-N 1 0 304.434 2.428 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2cccs2)cc1F ZINC001656377915 1080082181 /nfs/dbraw/zinc/08/21/81/1080082181.db2.gz YAGUWSFOXJLLBC-UHFFFAOYSA-N 1 0 321.421 2.473 20 10 DECDRO CCCOc1ccc(C[NH2+]CCN2CCNC2=S)cc1C ZINC001658193612 1080200997 /nfs/dbraw/zinc/20/09/97/1080200997.db2.gz KBRUNLXTACVSEA-UHFFFAOYSA-N 1 0 307.463 2.064 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)c1 ZINC001658378643 1080206975 /nfs/dbraw/zinc/20/69/75/1080206975.db2.gz FDXGTFDZAHQVRG-CABCVRRESA-N 1 0 306.450 2.403 20 10 DECDRO Oc1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001658591865 1080211420 /nfs/dbraw/zinc/21/14/20/1080211420.db2.gz MPVFSBPIPNKWCP-HNNXBMFYSA-N 1 0 310.825 2.077 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCN(C)C2)N(C)C)cc1 ZINC001659060539 1080227957 /nfs/dbraw/zinc/22/79/57/1080227957.db2.gz QWUOHDCCWPIQTQ-SJLPKXTDSA-N 1 0 304.482 2.039 20 10 DECDRO CC[C@H]([NH3+])CN(C)Cc1c(O)cc(OC)cc1Br ZINC001236885263 1080249913 /nfs/dbraw/zinc/24/99/13/1080249913.db2.gz YOISRHLEZJMYJV-VIFPVBQESA-N 1 0 317.227 2.332 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001660041014 1080260127 /nfs/dbraw/zinc/26/01/27/1080260127.db2.gz ASHVPAPIMCRVCX-UHFFFAOYSA-N 1 0 317.838 2.350 20 10 DECDRO CCOCc1cc(C[NH2+]CCN2CCOC[C@H]2C)ccc1OC ZINC001661317347 1080469786 /nfs/dbraw/zinc/46/97/86/1080469786.db2.gz HNFCQGRYDFPWCS-OAHLLOKOSA-N 1 0 322.449 2.042 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC/C=C\C[NH2+]CCCF)cc1 ZINC001268632263 1080905720 /nfs/dbraw/zinc/90/57/20/1080905720.db2.gz HTEFENLTODWORK-NNTZTVAXSA-N 1 0 321.356 2.084 20 10 DECDRO CCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229580 1081995077 /nfs/dbraw/zinc/99/50/77/1081995077.db2.gz YWOBQLCHVFCOHO-NSHDSACASA-N 1 0 305.382 2.309 20 10 DECDRO CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001271943175 1082203409 /nfs/dbraw/zinc/20/34/09/1082203409.db2.gz YNSINSXSJGOBDS-CYBMUJFWSA-N 1 0 305.382 2.213 20 10 DECDRO C[NH+](C)CCN1CCC2(C[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276380252 1083745950 /nfs/dbraw/zinc/74/59/50/1083745950.db2.gz LULWYFKXRLBPOA-UHFFFAOYSA-N 1 0 323.868 2.115 20 10 DECDRO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277211398 1083848258 /nfs/dbraw/zinc/84/82/58/1083848258.db2.gz JTKHFBPXRJWDBE-APWZRJJASA-N 1 0 313.445 2.339 20 10 DECDRO O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001277457015 1083981148 /nfs/dbraw/zinc/98/11/48/1083981148.db2.gz FFLVWWRVBZELLG-DYVFJYSZSA-N 1 0 318.804 2.408 20 10 DECDRO COc1ccc(O)c(C[NH+]2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)c1 ZINC001277464083 1083985373 /nfs/dbraw/zinc/98/53/73/1083985373.db2.gz ULLNJBVIBJWSLV-AWEZNQCLSA-N 1 0 318.417 2.137 20 10 DECDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)N(C)C)c(O)c1 ZINC001277568242 1084039718 /nfs/dbraw/zinc/03/97/18/1084039718.db2.gz LZQBBKKCQVRNCC-CQSZACIVSA-N 1 0 320.458 2.096 20 10 DECDRO CC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001235771110 1084523506 /nfs/dbraw/zinc/52/35/06/1084523506.db2.gz FLGNPBZLCWDHHL-OAHLLOKOSA-N 1 0 323.868 2.360 20 10 DECDRO Cc1cc(O)c(CN2CC[NH2+]C3(CC3)C2)cc1Br ZINC001235936013 1084567693 /nfs/dbraw/zinc/56/76/93/1084567693.db2.gz NVOUFWNBMHEFPU-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO CC1(C)C=Cc2c(O)c(CN3C[C@@H]4CC[C@@]4([NH3+])C3)ccc2O1 ZINC001235994111 1084584041 /nfs/dbraw/zinc/58/40/41/1084584041.db2.gz NHEDQGWAQXKBIL-SCLBCKFNSA-N 1 0 300.402 2.500 20 10 DECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001235991388 1084584186 /nfs/dbraw/zinc/58/41/86/1084584186.db2.gz PDCARJGODQKENY-RHSMWYFYSA-N 1 0 321.852 2.100 20 10 DECDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000706829127 1086652368 /nfs/dbraw/zinc/65/23/68/1086652368.db2.gz LYLWWBYUEZNNLX-JTQLQIEISA-N 1 0 311.223 2.481 20 10 DECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706834267 1086652558 /nfs/dbraw/zinc/65/25/58/1086652558.db2.gz RAOKJOOSGUUXAJ-HUTHGQBESA-N 1 0 320.252 2.401 20 10 DECDRO [O-]c1cccc(F)c1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001137841640 1086735051 /nfs/dbraw/zinc/73/50/51/1086735051.db2.gz NXEHOIHDGMJXLW-UHFFFAOYSA-N 1 0 303.337 2.365 20 10 DECDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000822188350 1090624409 /nfs/dbraw/zinc/62/44/09/1090624409.db2.gz HIOYXDHRONCZBP-LLVKDONJSA-N 1 0 303.811 2.103 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1OC ZINC001351960061 1151638517 /nfs/dbraw/zinc/63/85/17/1151638517.db2.gz BSWTXAIPPFLUBE-GXTWGEPZSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)c(O)c1 ZINC001277566495 1138330492 /nfs/dbraw/zinc/33/04/92/1138330492.db2.gz JVCCSODFHDMUDK-QAPCUYQASA-N 1 0 316.401 2.219 20 10 DECDRO COCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236333075 1138353430 /nfs/dbraw/zinc/35/34/30/1138353430.db2.gz VUFAXQJBSRHXFR-QGZVFWFLSA-N 1 0 305.466 2.261 20 10 DECDRO COC(=O)c1c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c2ccccc2n1C ZINC001236578999 1138377858 /nfs/dbraw/zinc/37/78/58/1138377858.db2.gz OXZGWQIROMSSSY-CHWSQXEVSA-N 1 0 315.417 2.147 20 10 DECDRO Cc1cc(Br)c(O)c(CN2CC3(C2)C[NH+](C)C3)c1 ZINC001236669577 1138392507 /nfs/dbraw/zinc/39/25/07/1138392507.db2.gz LLQLHEFHVVQCEO-UHFFFAOYSA-N 1 0 311.223 2.211 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)cc1Br ZINC001236746535 1138406442 /nfs/dbraw/zinc/40/64/42/1138406442.db2.gz DHBOLCIHRXESBJ-PSASIEDQSA-N 1 0 316.195 2.118 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1OC ZINC001236750640 1138408557 /nfs/dbraw/zinc/40/85/57/1138408557.db2.gz VJGQTXFVMAGRTO-KRWDZBQOSA-N 1 0 309.406 2.394 20 10 DECDRO C[C@@H]1CN(Cc2cc(O)c(Br)cc2O)CC[C@H]1O ZINC001236767672 1138419987 /nfs/dbraw/zinc/41/99/87/1138419987.db2.gz LERLXIHEWTWABX-LDYMZIIASA-N 1 0 316.195 2.063 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(O)c1 ZINC001236810808 1138437087 /nfs/dbraw/zinc/43/70/87/1138437087.db2.gz JPDVXXRYNPODPE-UHFFFAOYSA-N 1 0 320.433 2.433 20 10 DECDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236815377 1138438865 /nfs/dbraw/zinc/43/88/65/1138438865.db2.gz KIGKUQFINAHAKS-WQGACYEGSA-N 1 0 305.374 2.235 20 10 DECDRO COc1cc(C)c(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC001236819878 1138438909 /nfs/dbraw/zinc/43/89/09/1138438909.db2.gz HLEGSVIMOGXOOJ-UHFFFAOYSA-N 1 0 300.349 2.092 20 10 DECDRO OCCCN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236827548 1138440580 /nfs/dbraw/zinc/44/05/80/1138440580.db2.gz VBUQJODFVFWRDK-UHFFFAOYSA-N 1 0 300.402 2.045 20 10 DECDRO CC(C)c1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001237046949 1138487762 /nfs/dbraw/zinc/48/77/62/1138487762.db2.gz XNQUBMJXZLAOCH-KRWDZBQOSA-N 1 0 304.434 2.422 20 10 DECDRO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001237052305 1138490654 /nfs/dbraw/zinc/49/06/54/1138490654.db2.gz SZSHYUMRAYIWJO-RPVQJOFSSA-N 1 0 305.418 2.487 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])C3(COC3)C2)c2ccccc21 ZINC001237176692 1138514403 /nfs/dbraw/zinc/51/44/03/1138514403.db2.gz SNNDKZLUKBWSGG-GOSISDBHSA-N 1 0 311.429 2.065 20 10 DECDRO [NH3+]CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250265 1138551964 /nfs/dbraw/zinc/55/19/64/1138551964.db2.gz UHOMGNUUAYDOOM-UHFFFAOYSA-N 1 0 311.429 2.346 20 10 DECDRO COCCC[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237948340 1138812107 /nfs/dbraw/zinc/81/21/07/1138812107.db2.gz CSWBVVTVHBAZHF-UHFFFAOYSA-N 1 0 316.804 2.339 20 10 DECDRO CCOC(=O)[C@H]1CCN(Cc2cc(F)cc(C)c2O)CCC1=O ZINC001238059353 1138819253 /nfs/dbraw/zinc/81/92/53/1138819253.db2.gz BWBLMIQBMDSMSH-AWEZNQCLSA-N 1 0 323.364 2.184 20 10 DECDRO CC(C)(C)[NH2+]CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001319518448 1140607467 /nfs/dbraw/zinc/60/74/67/1140607467.db2.gz JLUFPBHMNFMUTD-OAHLLOKOSA-N 1 0 320.433 2.288 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(O)cc1C ZINC001319798517 1140720488 /nfs/dbraw/zinc/72/04/88/1140720488.db2.gz IOBWWNHUHUMBHA-CYBMUJFWSA-N 1 0 318.417 2.200 20 10 DECDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320457677 1140867791 /nfs/dbraw/zinc/86/77/91/1140867791.db2.gz XECGALBKGDPXEP-AWEZNQCLSA-N 1 0 309.429 2.092 20 10 DECDRO CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C[NH+]1CCCC1 ZINC001321049173 1141039970 /nfs/dbraw/zinc/03/99/70/1141039970.db2.gz MQCVFISKKMTZSD-SOFGYWHQSA-N 1 0 318.417 2.349 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cccnc2)c(O)c1 ZINC001249171773 1141856568 /nfs/dbraw/zinc/85/65/68/1141856568.db2.gz FMWWMFAQUUSILB-UHFFFAOYSA-N 1 0 300.358 2.135 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1 ZINC001249178060 1141857081 /nfs/dbraw/zinc/85/70/81/1141857081.db2.gz OZJKTACSZMCHBO-GOSISDBHSA-N 1 0 319.401 2.110 20 10 DECDRO CCOCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249208156 1141860084 /nfs/dbraw/zinc/86/00/84/1141860084.db2.gz NVUUNIRICNAHJM-UHFFFAOYSA-N 1 0 321.417 2.356 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001324276656 1142047417 /nfs/dbraw/zinc/04/74/17/1142047417.db2.gz TWJCRCVWZBPIOW-SFHVURJKSA-N 1 0 321.440 2.092 20 10 DECDRO Cc1cc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)cc1Br ZINC001250135623 1142086817 /nfs/dbraw/zinc/08/68/17/1142086817.db2.gz GQYFOLPVXWTVOQ-GFCCVEGCSA-N 1 0 311.223 2.353 20 10 DECDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1COCCO1 ZINC001324487941 1142087868 /nfs/dbraw/zinc/08/78/68/1142087868.db2.gz LQIGKPQAHINJEC-MRXNPFEDSA-N 1 0 303.358 2.403 20 10 DECDRO Nc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001336141023 1142364865 /nfs/dbraw/zinc/36/48/65/1142364865.db2.gz JRMCOJTVVCJTEV-JKSUJKDBSA-N 1 0 302.422 2.085 20 10 DECDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001337042077 1142667984 /nfs/dbraw/zinc/66/79/84/1142667984.db2.gz GSNGJADWNSSMDP-INIZCTEOSA-N 1 0 301.434 2.374 20 10 DECDRO COc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(C)c2O)cc1 ZINC001252740107 1142813200 /nfs/dbraw/zinc/81/32/00/1142813200.db2.gz FWVWLNMDPNUWIH-HNNXBMFYSA-N 1 0 317.385 2.239 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1O ZINC001339845905 1143130714 /nfs/dbraw/zinc/13/07/14/1143130714.db2.gz SCZTZCMYQMTFST-MRXNPFEDSA-N 1 0 313.401 2.196 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001340173586 1143287479 /nfs/dbraw/zinc/28/74/79/1143287479.db2.gz ULROLMHVSXOHPI-GDBMZVCRSA-N 1 0 301.434 2.149 20 10 DECDRO C[C@@H](NC(=O)c1cnc(C2CC[NH2+]CC2)o1)c1ccccc1O ZINC001340914711 1143492614 /nfs/dbraw/zinc/49/26/14/1143492614.db2.gz AXUYUBCDHKITML-LLVKDONJSA-N 1 0 315.373 2.338 20 10 DECDRO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1c(O)cccc1F)(C3)C2 ZINC001341011454 1143523556 /nfs/dbraw/zinc/52/35/56/1143523556.db2.gz JXDTZSODJBGKHT-CCHVVGMOSA-N 1 0 318.392 2.445 20 10 DECDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)c1ccccc1O ZINC001342404159 1143815856 /nfs/dbraw/zinc/81/58/56/1143815856.db2.gz DIOQVFPMIOECGQ-LGWLGOQQSA-N 1 0 318.417 2.117 20 10 DECDRO CCOC(=O)CCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258103909 1143971807 /nfs/dbraw/zinc/97/18/07/1143971807.db2.gz CQFACGSIILAKQZ-LLVKDONJSA-N 1 0 311.378 2.057 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(C)n1-c1ccccn1 ZINC001263187262 1144360053 /nfs/dbraw/zinc/36/00/53/1144360053.db2.gz FPSRUDFFUIWCOZ-DOMZBBRYSA-N 1 0 312.417 2.074 20 10 DECDRO CC[C@H](OC)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265756809 1144738081 /nfs/dbraw/zinc/73/80/81/1144738081.db2.gz LMQBHHJSHOMDIV-ZFWWWQNUSA-N 1 0 308.422 2.023 20 10 DECDRO CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001282242723 1145021189 /nfs/dbraw/zinc/02/11/89/1145021189.db2.gz SQSBNVFGVWMWMW-WDEREUQCSA-N 1 0 305.382 2.355 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cocn2)cc1C ZINC001283583049 1145534300 /nfs/dbraw/zinc/53/43/00/1145534300.db2.gz RQDOAVYGVZUNAC-ZDUSSCGKSA-N 1 0 317.389 2.242 20 10 DECDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1c(F)ccc(O)c1O ZINC001306671295 1147387507 /nfs/dbraw/zinc/38/75/07/1147387507.db2.gz QATFZSPMTXQFAL-LBPRGKRZSA-N 1 0 322.380 2.231 20 10 DECDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001308323030 1147467217 /nfs/dbraw/zinc/46/72/17/1147467217.db2.gz ZSERWSFCPAPRTG-HNAYVOBHSA-N 1 0 315.461 2.096 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]Cc3ccoc3)cc2F)CC1 ZINC001318339436 1147813782 /nfs/dbraw/zinc/81/37/82/1147813782.db2.gz QVLSVCQSSHNNKG-UHFFFAOYSA-N 1 0 303.381 2.460 20 10 DECDRO CCc1cccc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001326890710 1148282293 /nfs/dbraw/zinc/28/22/93/1148282293.db2.gz GBTWDARDFLWQKZ-SECBINFHSA-N 1 0 304.312 2.111 20 10 DECDRO CCC[NH+](CCC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052559151 354407449 /nfs/dbraw/zinc/40/74/49/354407449.db2.gz UGDHOPPXTGZPJJ-UHFFFAOYSA-N 1 0 320.393 2.234 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1O ZINC000074334716 355023247 /nfs/dbraw/zinc/02/32/47/355023247.db2.gz PBHXSQNLDJRYTO-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc[nH]3)C1)OCO2 ZINC000092073569 355617686 /nfs/dbraw/zinc/61/76/86/355617686.db2.gz QICYOYNDIWSYAR-LLVKDONJSA-N 1 0 301.346 2.224 20 10 DECDRO CCCOc1ccc(CN2CC[NH+]([C@H](CC)CO)CC2)c(O)c1 ZINC000093740232 355686325 /nfs/dbraw/zinc/68/63/25/355686325.db2.gz WSCXMYGLOHJIFA-MRXNPFEDSA-N 1 0 322.449 2.070 20 10 DECDRO COc1ccnc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000093079232 193200544 /nfs/dbraw/zinc/20/05/44/193200544.db2.gz JAGQUJHQVOVZKQ-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO C[C@H](CCNC(=O)NCc1ccccc1O)[NH+]1CCCCC1 ZINC000273146177 130091725 /nfs/dbraw/zinc/09/17/25/130091725.db2.gz GUZFZRPLDIIJMY-CQSZACIVSA-N 1 0 305.422 2.456 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000273404498 130117230 /nfs/dbraw/zinc/11/72/30/130117230.db2.gz ODUYCVSGDVXNOE-STQMWFEESA-N 1 0 323.458 2.356 20 10 DECDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000273591091 130141636 /nfs/dbraw/zinc/14/16/36/130141636.db2.gz PEHIMGZQZKFJHQ-LBPRGKRZSA-N 1 0 311.447 2.356 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000284311225 131068411 /nfs/dbraw/zinc/06/84/11/131068411.db2.gz JLKXPDHFOWVVBK-FUHWJXTLSA-N 1 0 320.433 2.086 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000285758194 131199054 /nfs/dbraw/zinc/19/90/54/131199054.db2.gz KEALKMYXPDUQRI-MAUKXSAKSA-N 1 0 301.434 2.149 20 10 DECDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000078972982 401868954 /nfs/dbraw/zinc/86/89/54/401868954.db2.gz YTYZEYAYVIXGNU-KRWDZBQOSA-N 1 0 301.434 2.435 20 10 DECDRO CC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1ccccc1O ZINC000038035352 401920927 /nfs/dbraw/zinc/92/09/27/401920927.db2.gz BLJFLHZBYLYXFJ-CQSZACIVSA-N 1 0 314.451 2.105 20 10 DECDRO CCCOc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(O)c1 ZINC000120642972 401997306 /nfs/dbraw/zinc/99/73/06/401997306.db2.gz CWHLQFMQHFXNSS-HUUCEWRRSA-N 1 0 322.449 2.068 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](COCCOC)C2)c1 ZINC000093755494 402019174 /nfs/dbraw/zinc/01/91/74/402019174.db2.gz UTWYWKFTGYCESU-CQSZACIVSA-N 1 0 309.406 2.276 20 10 DECDRO CCN(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153447518 402145600 /nfs/dbraw/zinc/14/56/00/402145600.db2.gz GLUSQXBYAAUXAW-INIZCTEOSA-N 1 0 320.433 2.242 20 10 DECDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154603051 402221420 /nfs/dbraw/zinc/22/14/20/402221420.db2.gz APBALTYHVDRLFM-SUMWQHHRSA-N 1 0 310.413 2.474 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000108929521 402264277 /nfs/dbraw/zinc/26/42/77/402264277.db2.gz GCHBCVGDDFBNFT-OAHLLOKOSA-N 1 0 305.422 2.408 20 10 DECDRO C[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccccc1O ZINC000109770964 402275567 /nfs/dbraw/zinc/27/55/67/402275567.db2.gz ONZQTOSAQVPBQB-UHFFFAOYSA-N 1 0 310.397 2.409 20 10 DECDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc2c(cc1O)CCCC2 ZINC000186505474 402437496 /nfs/dbraw/zinc/43/74/96/402437496.db2.gz RVHMNHIXPZAGMW-GFCCVEGCSA-N 1 0 302.418 2.448 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000184700578 286223216 /nfs/dbraw/zinc/22/32/16/286223216.db2.gz OHMQEBFKYSIXGJ-SNVBAGLBSA-N 1 0 312.797 2.142 20 10 DECDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000170789705 402525666 /nfs/dbraw/zinc/52/56/66/402525666.db2.gz QIWOZJISAXWEAU-YOEHRIQHSA-N 1 0 323.456 2.454 20 10 DECDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710626 402529341 /nfs/dbraw/zinc/52/93/41/402529341.db2.gz DDXSTWOIGSTFBS-JKSUJKDBSA-N 1 0 301.434 2.421 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccn1 ZINC000248599622 402597964 /nfs/dbraw/zinc/59/79/64/402597964.db2.gz IVRFFWOXDMWTHK-XIRDDKMYSA-N 1 0 324.428 2.298 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400296 402770734 /nfs/dbraw/zinc/77/07/34/402770734.db2.gz REVFTRJSDXNOLF-GASCZTMLSA-N 1 0 322.449 2.332 20 10 DECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N(C)C)cc1 ZINC000278683157 402869540 /nfs/dbraw/zinc/86/95/40/402869540.db2.gz OYEBYOOYPHTZAD-MRXNPFEDSA-N 1 0 317.477 2.438 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000271965479 402887797 /nfs/dbraw/zinc/88/77/97/402887797.db2.gz ZZYDELJHYSCBLS-CQSZACIVSA-N 1 0 319.376 2.481 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)cc1 ZINC000281251530 403061953 /nfs/dbraw/zinc/06/19/53/403061953.db2.gz XIKVEFPXDKMKGC-SFHVURJKSA-N 1 0 303.450 2.491 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCNC1=O ZINC000281833630 403096363 /nfs/dbraw/zinc/09/63/63/403096363.db2.gz SGPOPRUQOGXWGI-QGZVFWFLSA-N 1 0 301.434 2.387 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCNC1=O ZINC000281833627 403096566 /nfs/dbraw/zinc/09/65/66/403096566.db2.gz SGPOPRUQOGXWGI-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000268941652 403121411 /nfs/dbraw/zinc/12/14/11/403121411.db2.gz VPBZGCUBNABLSQ-ZIAGYGMSSA-N 1 0 309.429 2.263 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCO[C@]3(CCSC3)C1)OCO2 ZINC000269106010 403123437 /nfs/dbraw/zinc/12/34/37/403123437.db2.gz AVIPVCVRCGTNNE-BLLLJJGKSA-N 1 0 323.414 2.265 20 10 DECDRO CCCC[N@H+](CC(=O)NCCCOC)Cc1ccccc1O ZINC000282566028 403156438 /nfs/dbraw/zinc/15/64/38/403156438.db2.gz YZCMTFBORJBIDF-UHFFFAOYSA-N 1 0 308.422 2.147 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294630139 403723778 /nfs/dbraw/zinc/72/37/78/403723778.db2.gz FTYNGDOIRJQPOT-ZIAGYGMSSA-N 1 0 305.422 2.463 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295161657 403779710 /nfs/dbraw/zinc/77/97/10/403779710.db2.gz SGPRSVKGZZYNHQ-UKRRQHHQSA-N 1 0 317.433 2.386 20 10 DECDRO CC(C)N(CCS(C)(=O)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000295316906 403851437 /nfs/dbraw/zinc/85/14/37/403851437.db2.gz LAZRJEBALKQHJK-UHFFFAOYSA-N 1 0 323.817 2.440 20 10 DECDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000361781759 403863049 /nfs/dbraw/zinc/86/30/49/403863049.db2.gz DPBFFVDMQSAJLQ-HUUCEWRRSA-N 1 0 310.825 2.389 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1O ZINC000363870478 404232233 /nfs/dbraw/zinc/23/22/33/404232233.db2.gz VRRFZXUJEWDDAR-YPMHNXCESA-N 1 0 304.369 2.194 20 10 DECDRO CC[NH+]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296500895 404278631 /nfs/dbraw/zinc/27/86/31/404278631.db2.gz LMYSQNYEVYFOFS-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291365035 404380991 /nfs/dbraw/zinc/38/09/91/404380991.db2.gz YSRFLZWZGLBFKT-LBPRGKRZSA-N 1 0 301.333 2.240 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C ZINC000367461073 405056841 /nfs/dbraw/zinc/05/68/41/405056841.db2.gz PSHLJTOMVWALFE-IRXDYDNUSA-N 1 0 304.434 2.040 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C ZINC000367461071 405057306 /nfs/dbraw/zinc/05/73/06/405057306.db2.gz PSHLJTOMVWALFE-DLBZAZTESA-N 1 0 304.434 2.040 20 10 DECDRO O=C([C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000377860014 227203738 /nfs/dbraw/zinc/20/37/38/227203738.db2.gz KCPLVYPYPPWTLV-LBPRGKRZSA-N 1 0 308.809 2.490 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418100986 229219692 /nfs/dbraw/zinc/21/96/92/229219692.db2.gz QPJMPPASNSEYSH-KBPBESRZSA-N 1 0 314.433 2.379 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423083693 230345385 /nfs/dbraw/zinc/34/53/85/230345385.db2.gz GISHGMGDTBUDET-MOPGFXCFSA-N 1 0 313.445 2.343 20 10 DECDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](C)O ZINC000834886235 649857518 /nfs/dbraw/zinc/85/75/18/649857518.db2.gz AVFCPDWYGKLHHI-WWGRRREGSA-N 1 0 310.413 2.472 20 10 DECDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000834898948 649858523 /nfs/dbraw/zinc/85/85/23/649858523.db2.gz CPCQZACWSUFINT-IUCAKERBSA-N 1 0 315.211 2.330 20 10 DECDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000834898946 649858747 /nfs/dbraw/zinc/85/87/47/649858747.db2.gz CPCQZACWSUFINT-BDAKNGLRSA-N 1 0 315.211 2.330 20 10 DECDRO NC(=O)c1cccc2c1CCCN2Cc1cccc2c1CC[NH2+]C2 ZINC000662253064 425601925 /nfs/dbraw/zinc/60/19/25/425601925.db2.gz UCYAQXJXWKEHLJ-UHFFFAOYSA-N 1 0 321.424 2.384 20 10 DECDRO COC(=O)CC1(C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000281548773 273977550 /nfs/dbraw/zinc/97/75/50/273977550.db2.gz YKXHZGSNVRAKAX-UHFFFAOYSA-N 1 0 318.417 2.161 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000375299815 274145746 /nfs/dbraw/zinc/14/57/46/274145746.db2.gz OAOKGJSWKPGICV-LJQANCHMSA-N 1 0 324.380 2.497 20 10 DECDRO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000363712709 332227332 /nfs/dbraw/zinc/22/73/32/332227332.db2.gz KHMFLUTXALOVLU-CJNGLKHVSA-N 1 0 300.406 2.445 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000835025551 649867934 /nfs/dbraw/zinc/86/79/34/649867934.db2.gz KSGFMNBJKMEXNU-ARJAWSKDSA-N 1 0 301.434 2.353 20 10 DECDRO CNC(=O)[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025943 649868071 /nfs/dbraw/zinc/86/80/71/649868071.db2.gz OPWDDOWJAMKPAJ-JTGQJZMRSA-N 1 0 301.434 2.366 20 10 DECDRO COCC[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026116 649868338 /nfs/dbraw/zinc/86/83/38/649868338.db2.gz PZRJXXQOWADMKT-SNAWJCMRSA-N 1 0 303.450 2.030 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000377283219 533952419 /nfs/dbraw/zinc/95/24/19/533952419.db2.gz NTYZUIDHYNVBOR-GFCCVEGCSA-N 1 0 308.769 2.093 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000835034832 649869378 /nfs/dbraw/zinc/86/93/78/649869378.db2.gz BPTRIPDYHUVGGL-HWKANZROSA-N 1 0 313.401 2.265 20 10 DECDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](C)N1CCOCC1 ZINC000835038377 649869860 /nfs/dbraw/zinc/86/98/60/649869860.db2.gz QICBKHAQRVBQOO-JEZUCGJFSA-N 1 0 317.477 2.465 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035769 649869880 /nfs/dbraw/zinc/86/98/80/649869880.db2.gz LXNIAVIGTCNIIC-DWTRPJMMSA-N 1 0 303.450 2.076 20 10 DECDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000158194333 519645544 /nfs/dbraw/zinc/64/55/44/519645544.db2.gz HNQJUXNEVAFXDO-UHFFFAOYSA-N 1 0 324.444 2.373 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000176265454 522165197 /nfs/dbraw/zinc/16/51/97/522165197.db2.gz PKYZMRZIFZRWOV-IAGOWNOFSA-N 1 0 315.461 2.443 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000237083201 522200544 /nfs/dbraw/zinc/20/05/44/522200544.db2.gz IPQQXKGBYSGCKG-INIZCTEOSA-N 1 0 315.392 2.078 20 10 DECDRO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000157499583 522635882 /nfs/dbraw/zinc/63/58/82/522635882.db2.gz ZTXUJQQAFCNOTH-ZFWWWQNUSA-N 1 0 307.390 2.355 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@]3(C)CCCC[NH2+]3)ccc21 ZINC000237129211 523861116 /nfs/dbraw/zinc/86/11/16/523861116.db2.gz OEHCUFVKXIKSRL-SFHVURJKSA-N 1 0 301.434 2.217 20 10 DECDRO Cc1nccnc1N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000374143026 534786406 /nfs/dbraw/zinc/78/64/06/534786406.db2.gz LUGUBFRBLHHAPH-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO Fc1cc(C[NH2+]C[C@H]2CCC=CO2)ccc1N1CCOCC1 ZINC000189556802 526298578 /nfs/dbraw/zinc/29/85/78/526298578.db2.gz AVNNSXOGTHFLBU-OAHLLOKOSA-N 1 0 306.381 2.445 20 10 DECDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000189337370 527840558 /nfs/dbraw/zinc/84/05/58/527840558.db2.gz LRSNXINUKHRGOG-RYUDHWBXSA-N 1 0 300.196 2.404 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@]12CCCO2 ZINC000273641398 535412069 /nfs/dbraw/zinc/41/20/69/535412069.db2.gz USTRMKBBZQYVQA-INMHGKMJSA-N 1 0 307.390 2.217 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000273123687 536856582 /nfs/dbraw/zinc/85/65/82/536856582.db2.gz ADEXIUFTQFEOOL-SJORKVTESA-N 1 0 307.390 2.457 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000835053302 649872266 /nfs/dbraw/zinc/87/22/66/649872266.db2.gz BXIWHAVHHAJRCY-SFFCAUCYSA-N 1 0 317.477 2.202 20 10 DECDRO CCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001327606717 1148597732 /nfs/dbraw/zinc/59/77/32/1148597732.db2.gz GRHQGQSCVVMVME-UHFFFAOYSA-N 1 0 320.433 2.169 20 10 DECDRO C[NH+]1CCC2(CC1)CN(Cc1ccc(Cl)cc1O)CCO2 ZINC001474596025 1152556177 /nfs/dbraw/zinc/55/61/77/1152556177.db2.gz UOAQEQLFUVOITL-UHFFFAOYSA-N 1 0 310.825 2.342 20 10 DECDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(O)c2O)C1 ZINC000186948517 625412035 /nfs/dbraw/zinc/41/20/35/625412035.db2.gz XQGAJQQISNEDEG-CHWSQXEVSA-N 1 0 306.406 2.196 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000186980374 625413913 /nfs/dbraw/zinc/41/39/13/625413913.db2.gz SGBKROMDONZXBU-CQSZACIVSA-N 1 0 318.348 2.270 20 10 DECDRO COc1ccc(C[NH2+]CCNc2ccccn2)c(O)c1OC ZINC000893350630 625598928 /nfs/dbraw/zinc/59/89/28/625598928.db2.gz JTGBSRANCJOOCR-UHFFFAOYSA-N 1 0 303.362 2.006 20 10 DECDRO CS[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251295 623797259 /nfs/dbraw/zinc/79/72/59/623797259.db2.gz BPZLMCUEXRWBPP-SWLSCSKDSA-N 1 0 309.479 2.223 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000891391177 624138847 /nfs/dbraw/zinc/13/88/47/624138847.db2.gz OIGKGTFTYNNTCP-IYBDPMFKSA-N 1 0 316.449 2.179 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(O)c1OC ZINC000893037255 625070221 /nfs/dbraw/zinc/07/02/21/625070221.db2.gz NZMLQKPAQVPGOR-HFBAOOFYSA-N 1 0 307.390 2.313 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c(O)c1OC ZINC000893128901 625129780 /nfs/dbraw/zinc/12/97/80/625129780.db2.gz ZPADHBUXXXMIMO-AAEUAGOBSA-N 1 0 306.406 2.124 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2F)c(O)c1OC ZINC000892657941 625234759 /nfs/dbraw/zinc/23/47/59/625234759.db2.gz QTXGHGOSUXEOLW-AWEZNQCLSA-N 1 0 321.348 2.372 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)CC[N@@H+]1C ZINC000893222750 625250747 /nfs/dbraw/zinc/25/07/47/625250747.db2.gz VLWPSQVPDIDKCM-CMPLNLGQSA-N 1 0 311.813 2.328 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000840919408 625728166 /nfs/dbraw/zinc/72/81/66/625728166.db2.gz FNYSAKRONCRTNR-ROUUACIJSA-N 1 0 304.434 2.441 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2ccsc2)c(O)c1OC ZINC000892991808 625849882 /nfs/dbraw/zinc/84/98/82/625849882.db2.gz BGRCWGTZHOAJPR-LBPRGKRZSA-N 1 0 309.387 2.294 20 10 DECDRO COc1cccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1O ZINC000725844284 625909303 /nfs/dbraw/zinc/90/93/03/625909303.db2.gz RKYFMNGTGOKNFD-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000840934943 634787165 /nfs/dbraw/zinc/78/71/65/634787165.db2.gz ZXQRFPKURAAXLP-HZPDHXFCSA-N 1 0 305.466 2.260 20 10 DECDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000836238968 650069281 /nfs/dbraw/zinc/06/92/81/650069281.db2.gz VJWNOZJICCUAJL-INIZCTEOSA-N 1 0 318.465 2.378 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000734164439 633341586 /nfs/dbraw/zinc/34/15/86/633341586.db2.gz LXAVNOJTUUXYQU-LLVKDONJSA-N 1 0 316.195 2.024 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]CC(C)C)CC2)cc1 ZINC000102560369 650126008 /nfs/dbraw/zinc/12/60/08/650126008.db2.gz WLIJLEVOPVQHIY-UHFFFAOYSA-N 1 0 305.466 2.453 20 10 DECDRO CC[N@H+]1CC=C(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001001485080 635517264 /nfs/dbraw/zinc/51/72/64/635517264.db2.gz VJFYOVWIYUJVFF-UHFFFAOYSA-N 1 0 315.377 2.231 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000922056283 635831260 /nfs/dbraw/zinc/83/12/60/635831260.db2.gz XOAZRVOJLXKINQ-ZENOOKHLSA-N 1 0 304.438 2.205 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840978825 636014516 /nfs/dbraw/zinc/01/45/16/636014516.db2.gz WLJKSKAIWRCKOS-NSHDSACASA-N 1 0 315.822 2.384 20 10 DECDRO COc1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c(O)c1OC ZINC000894108760 636161301 /nfs/dbraw/zinc/16/13/01/636161301.db2.gz WDMJTXRLAZKFCX-UHFFFAOYSA-N 1 0 321.417 2.442 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1O ZINC000922523697 636217119 /nfs/dbraw/zinc/21/71/19/636217119.db2.gz CPKIBDGGVJWJMX-ZIAGYGMSSA-N 1 0 308.447 2.070 20 10 DECDRO CNC(=O)CCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000093717869 636284075 /nfs/dbraw/zinc/28/40/75/636284075.db2.gz BKMDXDCXQIBXFI-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)c1O ZINC000894163014 636334453 /nfs/dbraw/zinc/33/44/53/636334453.db2.gz FFRKYIPHHWCPMU-MRXNPFEDSA-N 1 0 322.449 2.156 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922752119 636371348 /nfs/dbraw/zinc/37/13/48/636371348.db2.gz LZNJLUDTTFHROO-CYBMUJFWSA-N 1 0 306.328 2.373 20 10 DECDRO c1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc2c1OCC2 ZINC000922814336 636419167 /nfs/dbraw/zinc/41/91/67/636419167.db2.gz RCZFGWCYONTCAN-MRXNPFEDSA-N 1 0 303.402 2.439 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000894236766 636519434 /nfs/dbraw/zinc/51/94/34/636519434.db2.gz XLULMYOMCJASSN-MRXNPFEDSA-N 1 0 301.386 2.402 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256791 636581894 /nfs/dbraw/zinc/58/18/94/636581894.db2.gz WODLAQRHLVLGOC-KGLIPLIRSA-N 1 0 312.360 2.205 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC000894274148 636655822 /nfs/dbraw/zinc/65/58/22/636655822.db2.gz SZQJZYICRZFTIT-HIFRSBDPSA-N 1 0 320.433 2.446 20 10 DECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756578066 636903143 /nfs/dbraw/zinc/90/31/43/636903143.db2.gz WJNZKKNXUVQGDH-TVQRCGJNSA-N 1 0 318.211 2.203 20 10 DECDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857748 636967513 /nfs/dbraw/zinc/96/75/13/636967513.db2.gz RCTIAPUUAYTGER-MNOVXSKESA-N 1 0 314.480 2.194 20 10 DECDRO CCc1cccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c1O ZINC000894610424 637124196 /nfs/dbraw/zinc/12/41/96/637124196.db2.gz BWRSMRDWGHSKJZ-UHFFFAOYSA-N 1 0 302.378 2.089 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531858 637233627 /nfs/dbraw/zinc/23/36/27/637233627.db2.gz WQXJKWZXZYZGTN-IBGZPJMESA-N 1 0 315.461 2.241 20 10 DECDRO CC[C@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@H](C)O ZINC000894906236 637321939 /nfs/dbraw/zinc/32/19/39/637321939.db2.gz YHTYKCQAKFRXFW-HZMBPMFUSA-N 1 0 322.380 2.353 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000894939672 637340221 /nfs/dbraw/zinc/34/02/21/637340221.db2.gz NTFLSICXSNHIMS-BZOOQXSSSA-N 1 0 324.490 2.157 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895070085 637483086 /nfs/dbraw/zinc/48/30/86/637483086.db2.gz BNBCJBHWMVUZRF-UHFFFAOYSA-N 1 0 313.401 2.488 20 10 DECDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788269026 637541400 /nfs/dbraw/zinc/54/14/00/637541400.db2.gz KEBOJWKRICFRFA-CABZTGNLSA-N 1 0 300.196 2.418 20 10 DECDRO C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](C)C ZINC000838685659 637621302 /nfs/dbraw/zinc/62/13/02/637621302.db2.gz UBAPKGOICZWAKR-AWEZNQCLSA-N 1 0 318.465 2.377 20 10 DECDRO Fc1cc(C[NH+]2CC3(C2)CCCOC3)ccc1N1CCOCC1 ZINC000839138774 637802540 /nfs/dbraw/zinc/80/25/40/637802540.db2.gz SXHMJQXBELBDAU-UHFFFAOYSA-N 1 0 320.408 2.275 20 10 DECDRO COc1ccc(N2CCC([NH2+]Cc3cc(C)n(C)n3)CC2)cc1 ZINC000840891861 650371783 /nfs/dbraw/zinc/37/17/83/650371783.db2.gz UTIGJSLENYJLHD-UHFFFAOYSA-N 1 0 314.433 2.496 20 10 DECDRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499775 637897422 /nfs/dbraw/zinc/89/74/22/637897422.db2.gz TXXACQNOCGOMIQ-CABCVRRESA-N 1 0 303.450 2.489 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1F ZINC000895315750 637918741 /nfs/dbraw/zinc/91/87/41/637918741.db2.gz JHSMQPQGMPZSCJ-HNNXBMFYSA-N 1 0 307.413 2.286 20 10 DECDRO Cc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(O)c1 ZINC000895342497 637948955 /nfs/dbraw/zinc/94/89/55/637948955.db2.gz GDITZBJXOWJSFA-HNNXBMFYSA-N 1 0 303.406 2.080 20 10 DECDRO COc1cc(O)c(CNC2(c3ncccn3)CCC2)cc1OC ZINC000895621862 638117905 /nfs/dbraw/zinc/11/79/05/638117905.db2.gz BXQZVZKFLCPRST-UHFFFAOYSA-N 1 0 315.373 2.368 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000840948603 650393687 /nfs/dbraw/zinc/39/36/87/650393687.db2.gz VNSYETMVMWEUIQ-APWZRJJASA-N 1 0 317.477 2.356 20 10 DECDRO COC(=O)N[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000895849248 638231814 /nfs/dbraw/zinc/23/18/14/638231814.db2.gz VNLMZSWYFCGTEV-RGDDUWESSA-N 1 0 303.406 2.196 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](NC(=O)OC)C2)cc1 ZINC000895850069 638233476 /nfs/dbraw/zinc/23/34/76/638233476.db2.gz AXBIFRRZYKBQKY-HNNXBMFYSA-N 1 0 305.422 2.463 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c(O)c1OC ZINC000895931054 638271917 /nfs/dbraw/zinc/27/19/17/638271917.db2.gz FSQZSKLGQDQNFP-XBFCOCLRSA-N 1 0 307.390 2.457 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(O)c1OC ZINC000895931053 638272458 /nfs/dbraw/zinc/27/24/58/638272458.db2.gz FSQZSKLGQDQNFP-UBHSHLNASA-N 1 0 307.390 2.457 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000841044754 650412586 /nfs/dbraw/zinc/41/25/86/650412586.db2.gz YRIAXNOHSRNLNF-KRWDZBQOSA-N 1 0 314.389 2.450 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN[C@H]3C)CC2)cc1 ZINC000841063138 650418532 /nfs/dbraw/zinc/41/85/32/650418532.db2.gz ILTPUYXBORIGQY-KSSFIOAISA-N 1 0 303.450 2.394 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729075 639335240 /nfs/dbraw/zinc/33/52/40/639335240.db2.gz DZGFDPLCGXFFEC-CJNGLKHVSA-N 1 0 310.463 2.371 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1F ZINC000754085489 639384462 /nfs/dbraw/zinc/38/44/62/639384462.db2.gz NQWADECZDXLWPO-LBPRGKRZSA-N 1 0 316.442 2.195 20 10 DECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000754142569 639393257 /nfs/dbraw/zinc/39/32/57/639393257.db2.gz HVEIMPRIPWRZOC-BMFZPTHFSA-N 1 0 301.434 2.134 20 10 DECDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000756096628 639625033 /nfs/dbraw/zinc/62/50/33/639625033.db2.gz BHLQAIYTEATAIN-RHSMWYFYSA-N 1 0 305.491 2.280 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756413105 639659678 /nfs/dbraw/zinc/65/96/78/639659678.db2.gz BQKPJHXICIQWHI-YRGRVCCFSA-N 1 0 308.397 2.390 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000756478978 639665081 /nfs/dbraw/zinc/66/50/81/639665081.db2.gz KJJFQWNNQXKQKJ-LBPRGKRZSA-N 1 0 315.373 2.475 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2O ZINC000756474965 639665234 /nfs/dbraw/zinc/66/52/34/639665234.db2.gz FHTINGHRXIPVGR-CBAPKCEASA-N 1 0 320.286 2.348 20 10 DECDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756659273 639683498 /nfs/dbraw/zinc/68/34/98/639683498.db2.gz CFAMQQWZUPKJEL-SFYZADRCSA-N 1 0 301.184 2.069 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756761942 639693088 /nfs/dbraw/zinc/69/30/88/639693088.db2.gz VJYDLHHCCKERIW-MDZLAQPJSA-N 1 0 321.396 2.473 20 10 DECDRO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)S(C)(=O)=O ZINC000756768956 639693144 /nfs/dbraw/zinc/69/31/44/639693144.db2.gz BQFXEAQLXVWFTK-WCABBAIRSA-N 1 0 301.383 2.102 20 10 DECDRO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839660555 639783655 /nfs/dbraw/zinc/78/36/55/639783655.db2.gz MOLSUPWSOSVXQX-AWEZNQCLSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)c(O)c1OC ZINC000897388204 639938439 /nfs/dbraw/zinc/93/84/39/639938439.db2.gz XLVAMLIWHRRGEV-YVEFUNNKSA-N 1 0 305.374 2.211 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000841716631 650549624 /nfs/dbraw/zinc/54/96/24/650549624.db2.gz CDSICORMEVLGDL-YOEHRIQHSA-N 1 0 318.465 2.330 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000841719123 650551096 /nfs/dbraw/zinc/55/10/96/650551096.db2.gz YVZSJJQBABEXKC-HZPDHXFCSA-N 1 0 318.465 2.459 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000841758474 650557848 /nfs/dbraw/zinc/55/78/48/650557848.db2.gz HTOCYCNMQVTWSP-JKSUJKDBSA-N 1 0 316.449 2.138 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000841797923 650566670 /nfs/dbraw/zinc/56/66/70/650566670.db2.gz CPLIQCMQAZVKFV-CQSZACIVSA-N 1 0 322.428 2.223 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000841829126 650573856 /nfs/dbraw/zinc/57/38/56/650573856.db2.gz XYRPQZCUKGNKTA-GDBMZVCRSA-N 1 0 318.465 2.330 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832570 650574720 /nfs/dbraw/zinc/57/47/20/650574720.db2.gz PRAXUZKRPWAZEY-INIZCTEOSA-N 1 0 316.449 2.235 20 10 DECDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762645051 640447945 /nfs/dbraw/zinc/44/79/45/640447945.db2.gz QZRMCINUCATAIA-VQCLRJIVSA-N 1 0 322.424 2.474 20 10 DECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000897474185 640453478 /nfs/dbraw/zinc/45/34/78/640453478.db2.gz NDVORKRKPCJFFP-OAHLLOKOSA-N 1 0 318.465 2.378 20 10 DECDRO CN(C)c1ccc([C@H](CNc2ncc(C=O)cn2)[NH+](C)C)cc1 ZINC000897523648 640543059 /nfs/dbraw/zinc/54/30/59/640543059.db2.gz WKQQLRYKYSZEDX-INIZCTEOSA-N 1 0 313.405 2.070 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@]2(OC)CCOC2)ccc1OC ZINC000763481419 640546521 /nfs/dbraw/zinc/54/65/21/640546521.db2.gz UDNQXIZXXKJRSS-QGZVFWFLSA-N 1 0 309.406 2.127 20 10 DECDRO C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841880974 650591002 /nfs/dbraw/zinc/59/10/02/650591002.db2.gz LJGSNUFKDVJWIA-CYBMUJFWSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880535 650591320 /nfs/dbraw/zinc/59/13/20/650591320.db2.gz BYYLRMVDUWRENA-IPYPFGDCSA-N 1 0 304.438 2.253 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH2+]C1CC1 ZINC000841918957 650602673 /nfs/dbraw/zinc/60/26/73/650602673.db2.gz YXEAFEPEAZOAFQ-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000897561235 640801525 /nfs/dbraw/zinc/80/15/25/640801525.db2.gz AGNFPEAAOUGOKM-LBPRGKRZSA-N 1 0 309.385 2.062 20 10 DECDRO Nc1ccc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000841961242 650614353 /nfs/dbraw/zinc/61/43/53/650614353.db2.gz DHNJXDJJENYYPF-KRWDZBQOSA-N 1 0 316.449 2.081 20 10 DECDRO COC(=O)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)(C)C ZINC000897889055 640963508 /nfs/dbraw/zinc/96/35/08/640963508.db2.gz MLHCPWNYWAQJRF-AWEZNQCLSA-N 1 0 309.362 2.188 20 10 DECDRO C[C@H](CCC[NH3+])NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841999645 650623147 /nfs/dbraw/zinc/62/31/47/650623147.db2.gz NGXIPSHUVOEOCD-GFCCVEGCSA-N 1 0 305.422 2.198 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(C)c1O ZINC000897986051 640996217 /nfs/dbraw/zinc/99/62/17/640996217.db2.gz VHZDKXVRFLVZJE-ZDUSSCGKSA-N 1 0 315.373 2.308 20 10 DECDRO CC1(C)CCCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000767738949 641016505 /nfs/dbraw/zinc/01/65/05/641016505.db2.gz OVVCTBVHWFMBII-UHFFFAOYSA-N 1 0 306.406 2.333 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898200609 641057685 /nfs/dbraw/zinc/05/76/85/641057685.db2.gz ZBNWQYOVCIBGLY-GFCCVEGCSA-N 1 0 300.196 2.405 20 10 DECDRO COc1cccc(O)c1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000768251131 641062543 /nfs/dbraw/zinc/06/25/43/641062543.db2.gz GVWDCJDQDOTQGU-HNNXBMFYSA-N 1 0 320.433 2.088 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000769485263 641249643 /nfs/dbraw/zinc/24/96/43/641249643.db2.gz ZVKKAMSQFTYEHB-ROUUACIJSA-N 1 0 303.450 2.048 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(F)F)CC2)cc1C ZINC000989839719 641250237 /nfs/dbraw/zinc/25/02/37/641250237.db2.gz MCJJMPXLIQJQGJ-UHFFFAOYSA-N 1 0 312.360 2.349 20 10 DECDRO CC1(C)CCC[N@H+](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000769705746 641277930 /nfs/dbraw/zinc/27/79/30/641277930.db2.gz PAOMQBWHOVDGBM-FNORWQNLSA-N 1 0 318.417 2.349 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000769935722 641310353 /nfs/dbraw/zinc/31/03/53/641310353.db2.gz PZBKSLQCIHIUFK-CYBMUJFWSA-N 1 0 308.378 2.111 20 10 DECDRO CCN(C)c1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1 ZINC000842163584 650663970 /nfs/dbraw/zinc/66/39/70/650663970.db2.gz QBOJPLLAIRVIHU-HOTGVXAUSA-N 1 0 305.466 2.030 20 10 DECDRO Cc1nn(C)cc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449918 641662047 /nfs/dbraw/zinc/66/20/47/641662047.db2.gz LPVRPGRJZWQWIT-GOSISDBHSA-N 1 0 315.465 2.187 20 10 DECDRO Cc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n(C)n1 ZINC000898447030 641665517 /nfs/dbraw/zinc/66/55/17/641665517.db2.gz FAVYXUAGXNYCAC-GOSISDBHSA-N 1 0 315.465 2.187 20 10 DECDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773372247 641765873 /nfs/dbraw/zinc/76/58/73/641765873.db2.gz QMTQAKNHTGKBGD-UONOGXRCSA-N 1 0 306.454 2.453 20 10 DECDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773755016 641819732 /nfs/dbraw/zinc/81/97/32/641819732.db2.gz TUPWXENEXUQQHT-HNNXBMFYSA-N 1 0 310.463 2.009 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCF)[NH+](C)C)cc1 ZINC000899097694 641931197 /nfs/dbraw/zinc/93/11/97/641931197.db2.gz FKBQBUICPOYRIS-MRXNPFEDSA-N 1 0 324.444 2.356 20 10 DECDRO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774815936 641970055 /nfs/dbraw/zinc/97/00/55/641970055.db2.gz VZWIRHXKENTWRE-GFCCVEGCSA-N 1 0 310.350 2.310 20 10 DECDRO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776097022 642130203 /nfs/dbraw/zinc/13/02/03/642130203.db2.gz SRRDVONGSJDYEE-AWEZNQCLSA-N 1 0 306.454 2.455 20 10 DECDRO NC(=O)[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1Cl ZINC000776935425 642218559 /nfs/dbraw/zinc/21/85/59/642218559.db2.gz CDEWPAUHZGLKGH-CQSZACIVSA-N 1 0 318.804 2.479 20 10 DECDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000777441731 642266970 /nfs/dbraw/zinc/26/69/70/642266970.db2.gz WEODDQJFQKBLFF-UHFFFAOYSA-N 1 0 318.417 2.099 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000779023874 642456472 /nfs/dbraw/zinc/45/64/72/642456472.db2.gz JJFAUEUSNDDDEN-AWEZNQCLSA-N 1 0 324.490 2.364 20 10 DECDRO CC(C)(O)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000779191393 642471009 /nfs/dbraw/zinc/47/10/09/642471009.db2.gz HXYPVQIUANNWAX-UHFFFAOYSA-N 1 0 322.424 2.398 20 10 DECDRO C[NH+]1CCC2(CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779546620 642510463 /nfs/dbraw/zinc/51/04/63/642510463.db2.gz DYOURYVBOCANFU-XQRVVYSFSA-N 1 0 316.401 2.198 20 10 DECDRO O=C(CCF)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901126602 642570829 /nfs/dbraw/zinc/57/08/29/642570829.db2.gz DIPRXOSOQKIRGJ-ZDUSSCGKSA-N 1 0 314.788 2.486 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000901129169 642572411 /nfs/dbraw/zinc/57/24/11/642572411.db2.gz AGYIAGRPTPSAFQ-HIFRSBDPSA-N 1 0 304.390 2.034 20 10 DECDRO CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(C)C)c(O)c1 ZINC000783728593 643043396 /nfs/dbraw/zinc/04/33/96/643043396.db2.gz MLGZIXSENVASIK-HNNXBMFYSA-N 1 0 306.406 2.137 20 10 DECDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000902467228 643050018 /nfs/dbraw/zinc/05/00/18/643050018.db2.gz NUGXKUYYOUUUNX-JWZBEHFJSA-N 1 0 319.424 2.206 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC000902512750 643056465 /nfs/dbraw/zinc/05/64/65/643056465.db2.gz JHAQPZOSRMXRJZ-HNNXBMFYSA-N 1 0 304.390 2.329 20 10 DECDRO O=C1NC2(CO1)CC[NH+](Cc1c(O)ccc3ccncc31)CC2 ZINC000784020359 643084838 /nfs/dbraw/zinc/08/48/38/643084838.db2.gz DVUQZJIVVQELHB-UHFFFAOYSA-N 1 0 313.357 2.015 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1OC ZINC000785989166 643308160 /nfs/dbraw/zinc/30/81/60/643308160.db2.gz SXBMHIDBIORORR-OUCADQQQSA-N 1 0 309.406 2.391 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903303242 643311292 /nfs/dbraw/zinc/31/12/92/643311292.db2.gz NKPAMBXRMBUZRM-JJRVBVJISA-N 1 0 321.440 2.406 20 10 DECDRO COCCN(C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000903439306 643350275 /nfs/dbraw/zinc/35/02/75/643350275.db2.gz FKKUAJJRLFLZJV-KGLIPLIRSA-N 1 0 308.422 2.012 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCC(O)CC2)N(C)C)cc1 ZINC000903447913 643354848 /nfs/dbraw/zinc/35/48/48/643354848.db2.gz FXGSUGLHPBEMCD-VMWRSERWSA-N 1 0 305.466 2.248 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000786765133 643407049 /nfs/dbraw/zinc/40/70/49/643407049.db2.gz OSCKVIZXBPJWSM-KRWDZBQOSA-N 1 0 301.434 2.338 20 10 DECDRO CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccc(OC)c(OC)c1 ZINC000903722284 643438984 /nfs/dbraw/zinc/43/89/84/643438984.db2.gz KBNJXDVROHKAKE-YJBOKZPZSA-N 1 0 320.433 2.299 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788784128 643645210 /nfs/dbraw/zinc/64/52/10/643645210.db2.gz OYQDGRZISPUHIW-GJZGRUSLSA-N 1 0 311.422 2.074 20 10 DECDRO COc1cc(O)c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1OC ZINC000904430333 643666717 /nfs/dbraw/zinc/66/67/17/643666717.db2.gz GFWWAUCVFWJYIP-QGZVFWFLSA-N 1 0 306.406 2.127 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)cc1F ZINC000905077313 643776564 /nfs/dbraw/zinc/77/65/64/643776564.db2.gz WYJWTJHRRRZYAW-OAHLLOKOSA-N 1 0 324.440 2.285 20 10 DECDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843046902 650876494 /nfs/dbraw/zinc/87/64/94/650876494.db2.gz DHRXQZMUKIHUEP-CQSZACIVSA-N 1 0 318.421 2.379 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c(O)c1 ZINC000790618919 643873653 /nfs/dbraw/zinc/87/36/53/643873653.db2.gz LDINLIMRNIEBGK-CJNGLKHVSA-N 1 0 311.422 2.039 20 10 DECDRO COc1c([O-])c(C[N@H+](C)C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843054853 650879347 /nfs/dbraw/zinc/87/93/47/650879347.db2.gz KTFUUYSSGXAKOQ-UHFFFAOYSA-N 1 0 309.366 2.011 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)CCCC2 ZINC000905697747 644017844 /nfs/dbraw/zinc/01/78/44/644017844.db2.gz YPJCOHOQUKXNAO-HNNXBMFYSA-N 1 0 303.402 2.466 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccncc3F)cc2)CC1 ZINC000792687227 644139564 /nfs/dbraw/zinc/13/95/64/644139564.db2.gz QHPPEJQWZFTXEB-UHFFFAOYSA-N 1 0 300.381 2.007 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCNC2=O)c(C(F)(F)F)c1 ZINC000792947216 644172082 /nfs/dbraw/zinc/17/20/82/644172082.db2.gz YLQJKASWASPTCB-ZDUSSCGKSA-N 1 0 315.339 2.140 20 10 DECDRO COc1ccc(O)c(CN(CC[NH3+])CCc2ccccc2)c1 ZINC000843121311 650900147 /nfs/dbraw/zinc/90/01/47/650900147.db2.gz CTMNFHMQMHCGKI-UHFFFAOYSA-N 1 0 300.402 2.404 20 10 DECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(OC)c1O ZINC000843121746 650900364 /nfs/dbraw/zinc/90/03/64/650900364.db2.gz KAEMVCMNPHFOQU-RYUDHWBXSA-N 1 0 302.777 2.186 20 10 DECDRO COc1c(O)c(CN[C@@H]2CC[NH2+]C23CCCC3)ccc1[N+](=O)[O-] ZINC000843127893 650902512 /nfs/dbraw/zinc/90/25/12/650902512.db2.gz JHRKGGGWCUTKKT-CYBMUJFWSA-N 1 0 321.377 2.073 20 10 DECDRO CCOC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000793544412 644270553 /nfs/dbraw/zinc/27/05/53/644270553.db2.gz WCGKDFZLDPLJDI-HNNXBMFYSA-N 1 0 307.390 2.209 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)cc1C ZINC000794710204 644464471 /nfs/dbraw/zinc/46/44/71/644464471.db2.gz YDJZACCNARNYCM-SUMWQHHRSA-N 1 0 307.390 2.089 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000795693510 644619897 /nfs/dbraw/zinc/61/98/97/644619897.db2.gz SMBCOLPWRCBEFN-WBVHZDCISA-N 1 0 304.434 2.304 20 10 DECDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796496822 644745894 /nfs/dbraw/zinc/74/58/94/644745894.db2.gz CVWRNVYMGAJIOF-WBVHZDCISA-N 1 0 304.434 2.285 20 10 DECDRO NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350241 650954653 /nfs/dbraw/zinc/95/46/53/650954653.db2.gz 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ZINC000911634008 645766475 /nfs/dbraw/zinc/76/64/75/645766475.db2.gz WPLVLRTUNLXUBD-NVXWUHKLSA-N 1 0 301.434 2.230 20 10 DECDRO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000840098921 645960869 /nfs/dbraw/zinc/96/08/69/645960869.db2.gz XSRRIZRIYSCXRY-DOTOQJQBSA-N 1 0 307.390 2.065 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000808708714 646131893 /nfs/dbraw/zinc/13/18/93/646131893.db2.gz PDEQKDVBMWATOM-NXEZZACHSA-N 1 0 305.827 2.438 20 10 DECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000811929933 646593017 /nfs/dbraw/zinc/59/30/17/646593017.db2.gz NXKQKGOQOYRQNG-CYBMUJFWSA-N 1 0 323.437 2.320 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000811954125 646596039 /nfs/dbraw/zinc/59/60/39/646596039.db2.gz OVDBQFLUKVDVLR-OLZOCXBDSA-N 1 0 323.437 2.490 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000169091417 646603239 /nfs/dbraw/zinc/60/32/39/646603239.db2.gz DYXREEIKHZXJQN-ZRNGKTOUSA-N 1 0 305.827 2.301 20 10 DECDRO C[C@@H]([NH2+]C1COCCOC1)c1cc(Br)ccc1O ZINC000813880825 646818673 /nfs/dbraw/zinc/81/86/73/646818673.db2.gz QLGQACRTVYBTLV-SECBINFHSA-N 1 0 316.195 2.221 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC000814143680 646853645 /nfs/dbraw/zinc/85/36/45/646853645.db2.gz AVPHCASZTSPLFZ-DOTOQJQBSA-N 1 0 324.428 2.265 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815072064 646963358 /nfs/dbraw/zinc/96/33/58/646963358.db2.gz CSHFYSDIRGLFSX-KRWDZBQOSA-N 1 0 308.422 2.119 20 10 DECDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000816513768 647145163 /nfs/dbraw/zinc/14/51/63/647145163.db2.gz BBGCQXVKHLGGAQ-ZDUSSCGKSA-N 1 0 319.426 2.412 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc3ccccc3c2O)CCN1CCO ZINC000816584178 647155402 /nfs/dbraw/zinc/15/54/02/647155402.db2.gz DLYVMTGWTBYVJD-UHFFFAOYSA-N 1 0 314.429 2.434 20 10 DECDRO COc1cccc(O)c1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000816625090 647160236 /nfs/dbraw/zinc/16/02/36/647160236.db2.gz 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647411561 /nfs/dbraw/zinc/41/15/61/647411561.db2.gz PQRBPHBCFYFHFD-UHFFFAOYSA-N 1 0 322.449 2.380 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CN(C)C[C@H]3C)C2)cc1 ZINC000818221483 647435963 /nfs/dbraw/zinc/43/59/63/647435963.db2.gz NHCWGNQDHZPLOD-IIDMSEBBSA-N 1 0 303.450 2.061 20 10 DECDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000731869140 647518357 /nfs/dbraw/zinc/51/83/57/647518357.db2.gz MVPYQDPHIPDTQV-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818996805 647560257 /nfs/dbraw/zinc/56/02/57/647560257.db2.gz LZDURSBPNQMNEQ-KRWDZBQOSA-N 1 0 313.397 2.459 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CN1CCCC1 ZINC000917013987 647955506 /nfs/dbraw/zinc/95/55/06/647955506.db2.gz KSNMQEQREHOCSD-IBGZPJMESA-N 1 0 319.493 2.420 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc1F ZINC000917616752 648018165 /nfs/dbraw/zinc/01/81/65/648018165.db2.gz BFPDCHSKSXQANL-AWEZNQCLSA-N 1 0 322.428 2.175 20 10 DECDRO CCCN(Cc1cnc(N(C)C)n1C)c1ccc(C[NH3+])cc1 ZINC000822476167 648215440 /nfs/dbraw/zinc/21/54/40/648215440.db2.gz IGNAXDCOWZRTSH-UHFFFAOYSA-N 1 0 301.438 2.361 20 10 DECDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822658134 648255984 /nfs/dbraw/zinc/25/59/84/648255984.db2.gz XWWQADCQWDVRJW-UHFFFAOYSA-N 1 0 317.393 2.407 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180970593 648535075 /nfs/dbraw/zinc/53/50/75/648535075.db2.gz PXSHLORMOZNSBM-RTIZMKJZSA-N 1 0 318.417 2.348 20 10 DECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824636652 648628099 /nfs/dbraw/zinc/62/80/99/648628099.db2.gz SAFPPZAIGYGDDZ-AEFFLSMTSA-N 1 0 304.434 2.116 20 10 DECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824636661 648628550 /nfs/dbraw/zinc/62/85/50/648628550.db2.gz SAFPPZAIGYGDDZ-WMZOPIPTSA-N 1 0 304.434 2.116 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000824653736 648630337 /nfs/dbraw/zinc/63/03/37/648630337.db2.gz GTHGXKUYBXDCAB-RKVPGOIHSA-N 1 0 322.424 2.254 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C2)cc1 ZINC000824727467 648643612 /nfs/dbraw/zinc/64/36/12/648643612.db2.gz GBEIKKDIXXSWHC-CQSZACIVSA-N 1 0 319.449 2.168 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+](C(C)(C)CO)CC2)cc1Cl ZINC000824824168 648658323 /nfs/dbraw/zinc/65/83/23/648658323.db2.gz GZOIBCWEXFCASL-UHFFFAOYSA-N 1 0 312.841 2.243 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)cc1F ZINC000824887314 648667406 /nfs/dbraw/zinc/66/74/06/648667406.db2.gz ULJSPHHJJZBQJT-CQSZACIVSA-N 1 0 307.413 2.382 20 10 DECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825266874 648733115 /nfs/dbraw/zinc/73/31/15/648733115.db2.gz NMKPWUGGWOSHLK-SNVBAGLBSA-N 1 0 305.827 2.267 20 10 DECDRO OCCC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825338644 648744828 /nfs/dbraw/zinc/74/48/28/648744828.db2.gz SFAIIZJGQKULHB-INIZCTEOSA-N 1 0 304.434 2.118 20 10 DECDRO C/C(=C\C(=O)N(CC[NH+](C)C)c1ccccc1)c1cnccn1 ZINC000825510712 648773340 /nfs/dbraw/zinc/77/33/40/648773340.db2.gz FNFMRRMPLWRQII-FYWRMAATSA-N 1 0 310.401 2.475 20 10 DECDRO COC(=O)c1oc(C[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000825917201 648826696 /nfs/dbraw/zinc/82/66/96/648826696.db2.gz YOVBZXIFSVTFBY-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](CCOCCO)C2CCC2)c1 ZINC000827210390 648993548 /nfs/dbraw/zinc/99/35/48/648993548.db2.gz NNFPIXRCIIGGPT-UHFFFAOYSA-N 1 0 309.406 2.154 20 10 DECDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000827371089 649025114 /nfs/dbraw/zinc/02/51/14/649025114.db2.gz OTUINLMJCKFJPC-MNOVXSKESA-N 1 0 310.350 2.308 20 10 DECDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000827480342 649040801 /nfs/dbraw/zinc/04/08/01/649040801.db2.gz BUPWFJBDVZNXMC-UHFFFAOYSA-N 1 0 320.477 2.490 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827726426 649075979 /nfs/dbraw/zinc/07/59/79/649075979.db2.gz ZTORBTAVSSERLC-LSDHHAIUSA-N 1 0 319.449 2.089 20 10 DECDRO CCOC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000827758094 649081838 /nfs/dbraw/zinc/08/18/38/649081838.db2.gz WUNJONZJBWAMGK-UHFFFAOYSA-N 1 0 307.390 2.293 20 10 DECDRO CC(C)[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)[NH3+] ZINC000827913559 649104607 /nfs/dbraw/zinc/10/46/07/649104607.db2.gz AJQKHCHVAPWUCB-GUYCJALGSA-N 1 0 303.450 2.305 20 10 DECDRO CC[N@H+](CC[S@](C)=O)Cc1cc(Br)ccc1O ZINC000827945383 649109789 /nfs/dbraw/zinc/10/97/89/649109789.db2.gz UBPSKPGOYJPFKF-KRWDZBQOSA-N 1 0 320.252 2.355 20 10 DECDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021862 649423475 /nfs/dbraw/zinc/42/34/75/649423475.db2.gz WXXRTGHQWYFKMG-ZIAGYGMSSA-N 1 0 309.429 2.208 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](C)[NH3+] ZINC000830799313 649497972 /nfs/dbraw/zinc/49/79/72/649497972.db2.gz VRVWWANEUGDAIS-VIFPVBQESA-N 1 0 315.211 2.241 20 10 DECDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000831104557 649538987 /nfs/dbraw/zinc/53/89/87/649538987.db2.gz ZYWAURRCGQHHJB-UONOGXRCSA-N 1 0 304.438 2.212 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c(O)c1 ZINC000832178797 649681999 /nfs/dbraw/zinc/68/19/99/649681999.db2.gz XELSFQYVDAZYTE-CABCVRRESA-N 1 0 306.406 2.315 20 10 DECDRO Cc1nc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000832267561 649690545 /nfs/dbraw/zinc/69/05/45/649690545.db2.gz VPTAADHTOHTSDZ-AWEZNQCLSA-N 1 0 318.446 2.256 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@@H]2CCCCO2)cc1 ZINC000832272011 649690975 /nfs/dbraw/zinc/69/09/75/649690975.db2.gz BXVMBOJNFPJZBZ-DLBZAZTESA-N 1 0 319.449 2.218 20 10 DECDRO CCCCO[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282048 649691896 /nfs/dbraw/zinc/69/18/96/649691896.db2.gz XPCFCDNSTFRKFE-XJKSGUPXSA-N 1 0 307.438 2.074 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Cl)o2)cc1 ZINC000832292477 649693267 /nfs/dbraw/zinc/69/32/67/649693267.db2.gz HIUACAWEPAXYQS-GFCCVEGCSA-N 1 0 307.781 2.429 20 10 DECDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834680576 649829896 /nfs/dbraw/zinc/82/98/96/649829896.db2.gz AVYHGMZTCOMRMW-STQMWFEESA-N 1 0 324.446 2.111 20 10 DECDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000844172480 651086063 /nfs/dbraw/zinc/08/60/63/651086063.db2.gz AQHFFAPTTCYGLK-PBHICJAKSA-N 1 0 301.434 2.291 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1O ZINC000846136102 651310271 /nfs/dbraw/zinc/31/02/71/651310271.db2.gz GWOKLXXKLLPHBY-CABCVRRESA-N 1 0 322.449 2.408 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC2CC[NH2+]CC2)cc1F ZINC000846145322 651310791 /nfs/dbraw/zinc/31/07/91/651310791.db2.gz PIHRSZCRLTUAQE-UHFFFAOYSA-N 1 0 322.428 2.081 20 10 DECDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CCC1 ZINC000846165054 651312271 /nfs/dbraw/zinc/31/22/71/651312271.db2.gz KMYKXWPDVCQAIR-LBPRGKRZSA-N 1 0 306.406 2.358 20 10 DECDRO CC(C)C[N@H+](C)CCCNC(=O)NCCc1ccc(N)cc1 ZINC000846170569 651312842 /nfs/dbraw/zinc/31/28/42/651312842.db2.gz BAPVNVMBQLTVOB-UHFFFAOYSA-N 1 0 306.454 2.088 20 10 DECDRO C[NH2+]Cc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000846205872 651314967 /nfs/dbraw/zinc/31/49/67/651314967.db2.gz SPOYTDVWCSDPNU-UHFFFAOYSA-N 1 0 313.401 2.453 20 10 DECDRO CCOC(C[NH+]1CCN(c2ccc(OC)cc2)CC1)OCC ZINC000106365084 651334005 /nfs/dbraw/zinc/33/40/05/651334005.db2.gz CNCRBAVGYNGWRV-UHFFFAOYSA-N 1 0 308.422 2.216 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)ccc1N(C)C ZINC000846935769 651363083 /nfs/dbraw/zinc/36/30/83/651363083.db2.gz MKTYQXIMWPILIH-SFHVURJKSA-N 1 0 317.477 2.358 20 10 DECDRO CCc1cccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000848894117 651549341 /nfs/dbraw/zinc/54/93/41/651549341.db2.gz CGKKTGOZCMQOAD-LBPRGKRZSA-N 1 0 316.323 2.207 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848918818 651561106 /nfs/dbraw/zinc/56/11/06/651561106.db2.gz NAQIHNCGBBXPDJ-INIZCTEOSA-N 1 0 302.418 2.437 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000112701762 651573618 /nfs/dbraw/zinc/57/36/18/651573618.db2.gz YJUJFSLTKBBGDE-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1nc(CNCc2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000850069492 651818848 /nfs/dbraw/zinc/81/88/48/651818848.db2.gz OAUJPDBOORTRLZ-UHFFFAOYSA-N 1 0 300.406 2.153 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850099577 651827557 /nfs/dbraw/zinc/82/75/57/651827557.db2.gz OZQAHRCOKMRORW-DAXOMENPSA-N 1 0 302.418 2.356 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 ZINC000850346321 651905131 /nfs/dbraw/zinc/90/51/31/651905131.db2.gz FCVCCPVFGRGYEM-JYJNAYRXSA-N 1 0 315.461 2.489 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)cnn3C)C2)cc1 ZINC000850347640 651905979 /nfs/dbraw/zinc/90/59/79/651905979.db2.gz VEEOSVJLLUAAHS-CQSZACIVSA-N 1 0 300.406 2.106 20 10 DECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850360300 651910448 /nfs/dbraw/zinc/91/04/48/651910448.db2.gz GJOKZZBGCQCLHL-SHTZXODSSA-N 1 0 308.397 2.319 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000850386908 651916532 /nfs/dbraw/zinc/91/65/32/651916532.db2.gz RNZCYWQBDOHKEY-QGZVFWFLSA-N 1 0 304.434 2.021 20 10 DECDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000850389527 651917415 /nfs/dbraw/zinc/91/74/15/651917415.db2.gz YZDJQRHVRCLXAO-DLBZAZTESA-N 1 0 320.408 2.055 20 10 DECDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000850406123 651921982 /nfs/dbraw/zinc/92/19/82/651921982.db2.gz SQWHSDNBYDOZMD-UHFFFAOYSA-N 1 0 316.401 2.023 20 10 DECDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406079 651922021 /nfs/dbraw/zinc/92/20/21/651922021.db2.gz QPHISGUAGLRHEF-UHFFFAOYSA-N 1 0 314.433 2.154 20 10 DECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406433 651922495 /nfs/dbraw/zinc/92/24/95/651922495.db2.gz GSWJQEZEZVOUHC-CRAIPNDOSA-N 1 0 304.434 2.305 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000850474776 651935371 /nfs/dbraw/zinc/93/53/71/651935371.db2.gz QGMHLRNPEWQSCE-HUUCEWRRSA-N 1 0 301.438 2.262 20 10 DECDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CCOCC1 ZINC000850493371 651938927 /nfs/dbraw/zinc/93/89/27/651938927.db2.gz GLGSIZWEPSVGHZ-IUODEOHRSA-N 1 0 309.406 2.493 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccnn3C)C2)cc1 ZINC000850489128 651938973 /nfs/dbraw/zinc/93/89/73/651938973.db2.gz QZJZENWEZWTXTD-KGLIPLIRSA-N 1 0 300.406 2.358 20 10 DECDRO O=[S@](CC[NH2+][C@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000850495204 651939429 /nfs/dbraw/zinc/93/94/29/651939429.db2.gz YGNKMQARPRPSIR-WVDJIFEKSA-N 1 0 307.337 2.280 20 10 DECDRO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(F)ccc1O ZINC000850558058 651952553 /nfs/dbraw/zinc/95/25/53/651952553.db2.gz SGTBBLOEAVXDCA-WFASDCNBSA-N 1 0 308.397 2.435 20 10 DECDRO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccccc1O ZINC000850560483 651953670 /nfs/dbraw/zinc/95/36/70/651953670.db2.gz FJLFRWFYKGEYJG-UONOGXRCSA-N 1 0 303.406 2.333 20 10 DECDRO C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000851680895 652205722 /nfs/dbraw/zinc/20/57/22/652205722.db2.gz KPGMPWNORKQXKQ-OAHLLOKOSA-N 1 0 318.465 2.426 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000115821877 652245522 /nfs/dbraw/zinc/24/55/22/652245522.db2.gz BGXWHFMSYAWJIG-AWEZNQCLSA-N 1 0 318.465 2.343 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000858141742 652264004 /nfs/dbraw/zinc/26/40/04/652264004.db2.gz SAKGITRJBREOMC-CMPLNLGQSA-N 1 0 311.376 2.165 20 10 DECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858154718 652267866 /nfs/dbraw/zinc/26/78/66/652267866.db2.gz PMAXJWMXRPXNFO-SMDDNHRTSA-N 1 0 311.376 2.035 20 10 DECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858157561 652268613 /nfs/dbraw/zinc/26/86/13/652268613.db2.gz ZUALDYRHISILGB-GDBMZVCRSA-N 1 0 314.376 2.314 20 10 DECDRO COCC[C@@H](COC)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858165338 652269304 /nfs/dbraw/zinc/26/93/04/652269304.db2.gz FTASKJBRIMUAMR-LBPRGKRZSA-N 1 0 302.365 2.172 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]C2(CO)CCSCC2)cc1F ZINC000858177707 652272279 /nfs/dbraw/zinc/27/22/79/652272279.db2.gz NLLGJUJWMWKVPQ-UHFFFAOYSA-N 1 0 316.417 2.379 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000858195337 652276686 /nfs/dbraw/zinc/27/66/86/652276686.db2.gz SPKSVHZIZPDSOF-UHFFFAOYSA-N 1 0 315.392 2.472 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852631765 652430357 /nfs/dbraw/zinc/43/03/57/652430357.db2.gz JATDQAOCYSHVAG-OAHLLOKOSA-N 1 0 304.438 2.036 20 10 DECDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852900881 652477404 /nfs/dbraw/zinc/47/74/04/652477404.db2.gz UTHTWPLQTDFJKE-AWEZNQCLSA-N 1 0 319.449 2.155 20 10 DECDRO C[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccccc1O ZINC000111236380 652535723 /nfs/dbraw/zinc/53/57/23/652535723.db2.gz NNUUZNHKBHGNBV-UHFFFAOYSA-N 1 0 320.339 2.419 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000853520589 652561578 /nfs/dbraw/zinc/56/15/78/652561578.db2.gz MOWKGLIIXNVBPW-UHFFFAOYSA-N 1 0 302.374 2.079 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@H]2N1 ZINC000853555171 652567471 /nfs/dbraw/zinc/56/74/71/652567471.db2.gz HCIBYQFCSZVCFF-CZUORRHYSA-N 1 0 311.385 2.041 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1C ZINC000853594027 652575783 /nfs/dbraw/zinc/57/57/83/652575783.db2.gz NSKUXOZGFNYAHZ-HNNXBMFYSA-N 1 0 302.418 2.453 20 10 DECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)c1 ZINC000853608375 652578441 /nfs/dbraw/zinc/57/84/41/652578441.db2.gz QZZJTWXWISZBLQ-UHFFFAOYSA-N 1 0 304.390 2.426 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000387798613 685424530 /nfs/dbraw/zinc/42/45/30/685424530.db2.gz NOZURVDJNYMAEQ-SFHVURJKSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000858553203 685557288 /nfs/dbraw/zinc/55/72/88/685557288.db2.gz ZORVLQBMRPEGGE-XXILOJSOSA-N 1 0 305.296 2.211 20 10 DECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000858587169 685563140 /nfs/dbraw/zinc/56/31/40/685563140.db2.gz JFKFBUAURTVNDU-NXEZZACHSA-N 1 0 300.786 2.413 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC000092101561 684040685 /nfs/dbraw/zinc/04/06/85/684040685.db2.gz TXIWETCUNKPWLM-AWEZNQCLSA-N 1 0 306.406 2.091 20 10 DECDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000139629638 684251457 /nfs/dbraw/zinc/25/14/57/684251457.db2.gz CSKOKSUURUBGFJ-QGZVFWFLSA-N 1 0 316.449 2.180 20 10 DECDRO Cc1cc(C)c(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188969585 684369576 /nfs/dbraw/zinc/36/95/76/684369576.db2.gz HWECGWLHAZBZDL-OAHLLOKOSA-N 1 0 306.450 2.286 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CC[C@H](C)O)c1O ZINC000304109911 685246333 /nfs/dbraw/zinc/24/63/33/685246333.db2.gz FKAMRCKIRAWOLF-QMMMGPOBSA-N 1 0 304.184 2.024 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861583236 686150534 /nfs/dbraw/zinc/15/05/34/686150534.db2.gz PUBHXUQWBUQJHA-HIFRSBDPSA-N 1 0 304.438 2.001 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(N(C)C)cc1 ZINC000861621147 686160522 /nfs/dbraw/zinc/16/05/22/686160522.db2.gz YCDZQRBGTRFUHZ-CJNGLKHVSA-N 1 0 316.449 2.397 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861686221 686169060 /nfs/dbraw/zinc/16/90/60/686169060.db2.gz WEQMWZXMVXILOW-HOCLYGCPSA-N 1 0 318.465 2.425 20 10 DECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862397473 686292057 /nfs/dbraw/zinc/29/20/57/686292057.db2.gz RIGMDQFSXRQAIB-NXEZZACHSA-N 1 0 300.196 2.500 20 10 DECDRO CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000862432488 686302472 /nfs/dbraw/zinc/30/24/72/686302472.db2.gz FUAOHBPWHBCLNH-GOSISDBHSA-N 1 0 317.385 2.494 20 10 DECDRO O[C@H](CNc1ccccc1OCC(F)F)C[NH+]1CCCC1 ZINC000863558670 686522251 /nfs/dbraw/zinc/52/22/51/686522251.db2.gz SBQCJZMBDJKOTM-GFCCVEGCSA-N 1 0 300.349 2.199 20 10 DECDRO COc1cccc(O)c1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646531 686539074 /nfs/dbraw/zinc/53/90/74/686539074.db2.gz LZGBDOHJURQUDS-JQWIXIFHSA-N 1 0 318.339 2.360 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)OCO2 ZINC000865762920 687326454 /nfs/dbraw/zinc/32/64/54/687326454.db2.gz YQQRFGNSFMDLFL-SJKOYZFVSA-N 1 0 305.374 2.416 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(OCC)cc2O)on1 ZINC000865764546 687326782 /nfs/dbraw/zinc/32/67/82/687326782.db2.gz FCRKULULUPSGBI-UHFFFAOYSA-N 1 0 320.345 2.245 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1O ZINC000865781300 687333070 /nfs/dbraw/zinc/33/30/70/687333070.db2.gz ZAOMNGFQRLSKMW-OAHLLOKOSA-N 1 0 321.417 2.466 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369675 687603508 /nfs/dbraw/zinc/60/35/08/687603508.db2.gz VAQLQDIEKXYEJG-ZDUSSCGKSA-N 1 0 303.366 2.062 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1O ZINC000866716495 687664055 /nfs/dbraw/zinc/66/40/55/687664055.db2.gz PFXJPXDJCRWBND-MLGOLLRUSA-N 1 0 306.381 2.308 20 10 DECDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)CC[N@@H+]1C ZINC000866765055 687680044 /nfs/dbraw/zinc/68/00/44/687680044.db2.gz QGAHEFHGGJPZGB-OSAQELSMSA-N 1 0 306.406 2.308 20 10 DECDRO CC[C@@H](F)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019247162 688308455 /nfs/dbraw/zinc/30/84/55/688308455.db2.gz ZMAATHFYASGPIB-LSDHHAIUSA-N 1 0 308.397 2.442 20 10 DECDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014426 688549913 /nfs/dbraw/zinc/54/99/13/688549913.db2.gz ZGTGERICTBLDDP-GFCCVEGCSA-N 1 0 317.393 2.309 20 10 DECDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000870865800 688671744 /nfs/dbraw/zinc/67/17/44/688671744.db2.gz KHMYGJSSIHMXEF-IYBDPMFKSA-N 1 0 301.434 2.421 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CC2(CO1)CCOCC2 ZINC000872141867 688934357 /nfs/dbraw/zinc/93/43/57/688934357.db2.gz XIQYUMUBBJPLIB-KRWDZBQOSA-N 1 0 316.445 2.484 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872201463 688950959 /nfs/dbraw/zinc/95/09/59/688950959.db2.gz BMBBUDCQXFRIFJ-ZWKOTPCHSA-N 1 0 306.450 2.063 20 10 DECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@@H]1C ZINC000872634747 689053446 /nfs/dbraw/zinc/05/34/46/689053446.db2.gz AKYWNRDTIWXVEK-SJCJKPOMSA-N 1 0 307.390 2.340 20 10 DECDRO CC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873045757 689147350 /nfs/dbraw/zinc/14/73/50/689147350.db2.gz GQUJBECENGMLBP-KRWDZBQOSA-N 1 0 303.406 2.191 20 10 DECDRO CC[C@H](COC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873057580 689149950 /nfs/dbraw/zinc/14/99/50/689149950.db2.gz VBMMWBNLYFEPHT-MRXNPFEDSA-N 1 0 303.406 2.455 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1Cn1cccn1 ZINC000873059157 689150256 /nfs/dbraw/zinc/15/02/56/689150256.db2.gz XPKWWBIRXGZWAA-KBPBESRZSA-N 1 0 303.406 2.047 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CCO)cc1Cn1cccn1 ZINC000873066059 689152785 /nfs/dbraw/zinc/15/27/85/689152785.db2.gz QBSWFNYNBWCQQJ-AWEZNQCLSA-N 1 0 303.406 2.048 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1C ZINC000873080010 689155881 /nfs/dbraw/zinc/15/58/81/689155881.db2.gz JHRFLGDVCSDMCA-HNNXBMFYSA-N 1 0 311.447 2.451 20 10 DECDRO CCC1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)COC1 ZINC000873129464 689164965 /nfs/dbraw/zinc/16/49/65/689164965.db2.gz NBVXXWRUQRKBCU-UHFFFAOYSA-N 1 0 315.417 2.456 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1C ZINC000873133693 689166708 /nfs/dbraw/zinc/16/67/08/689166708.db2.gz JECMIROKTFGAGT-AWEZNQCLSA-N 1 0 304.390 2.021 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]C(C)(C)C)CC2)c(OC)c1 ZINC000873220852 689186498 /nfs/dbraw/zinc/18/64/98/689186498.db2.gz YYYDOKDFENGSHQ-UHFFFAOYSA-N 1 0 321.465 2.214 20 10 DECDRO C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)C[NH+]1CCCC1 ZINC000875118225 689574864 /nfs/dbraw/zinc/57/48/64/689574864.db2.gz LCNUIVRPTWIHHQ-CYBMUJFWSA-N 1 0 303.406 2.149 20 10 DECDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000875706844 689679204 /nfs/dbraw/zinc/67/92/04/689679204.db2.gz LFSHNAUKNDWMQA-HZPDHXFCSA-N 1 0 315.417 2.434 20 10 DECDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000875706845 689679275 /nfs/dbraw/zinc/67/92/75/689679275.db2.gz LFSHNAUKNDWMQA-JKSUJKDBSA-N 1 0 315.417 2.434 20 10 DECDRO CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034288692 689797292 /nfs/dbraw/zinc/79/72/92/689797292.db2.gz MWIFABDSMMWCLO-CQSZACIVSA-N 1 0 321.421 2.093 20 10 DECDRO CCC[C@H](OCC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505908 689842000 /nfs/dbraw/zinc/84/20/00/689842000.db2.gz CKWMPCSAINWZPY-HOTGVXAUSA-N 1 0 307.438 2.074 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)CO1 ZINC000876597738 689870746 /nfs/dbraw/zinc/87/07/46/689870746.db2.gz QWDXIVUFENSONJ-HUUCEWRRSA-N 1 0 304.434 2.257 20 10 DECDRO CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034546346 689894263 /nfs/dbraw/zinc/89/42/63/689894263.db2.gz AZSNXSQLVHESGL-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000876809744 689943769 /nfs/dbraw/zinc/94/37/69/689943769.db2.gz IVLAQQQGFQAYMX-RHSMWYFYSA-N 1 0 315.417 2.380 20 10 DECDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873811 689960863 /nfs/dbraw/zinc/96/08/63/689960863.db2.gz QVKFLTFJHKXROU-AMFYOEQGSA-N 1 0 301.434 2.123 20 10 DECDRO Fc1cc(C[NH2+]CCC[C@H]2CCO2)ccc1N1CCOCC1 ZINC000876945637 689979651 /nfs/dbraw/zinc/97/96/51/689979651.db2.gz HEZNEZKHUBQHFP-HNNXBMFYSA-N 1 0 308.397 2.321 20 10 DECDRO C[C@H](CO)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877127580 690025272 /nfs/dbraw/zinc/02/52/72/690025272.db2.gz KLDXTUYFKIQGBU-HNNXBMFYSA-N 1 0 306.450 2.146 20 10 DECDRO Nc1ccc(CC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000877401765 690102774 /nfs/dbraw/zinc/10/27/74/690102774.db2.gz OHQFKKMUUFLTLX-INIZCTEOSA-N 1 0 301.434 2.240 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)CN1C ZINC000877405231 690104312 /nfs/dbraw/zinc/10/43/12/690104312.db2.gz FMWMGFAVUHDZSA-HOTGVXAUSA-N 1 0 317.477 2.172 20 10 DECDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877489506 690129457 /nfs/dbraw/zinc/12/94/57/690129457.db2.gz PNDZVQMGFMZLCJ-IBGZPJMESA-N 1 0 318.461 2.385 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)[C@]12CCCO2 ZINC000877493294 690130201 /nfs/dbraw/zinc/13/02/01/690130201.db2.gz JWBGHXABMMMPIG-GVDBMIGSSA-N 1 0 307.390 2.217 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000877517637 690138197 /nfs/dbraw/zinc/13/81/97/690138197.db2.gz PJINQGLENDXWSM-MRXNPFEDSA-N 1 0 317.477 2.174 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000877532027 690143080 /nfs/dbraw/zinc/14/30/80/690143080.db2.gz BKZHWGRTUQYDIH-AVGNSLFASA-N 1 0 306.406 2.499 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000877543107 690146383 /nfs/dbraw/zinc/14/63/83/690146383.db2.gz XOJVUESWUKSROT-LJQANCHMSA-N 1 0 318.461 2.288 20 10 DECDRO COCCOC1(C[NH2+]Cc2c(C)cccc2O)CCOCC1 ZINC000877558456 690151509 /nfs/dbraw/zinc/15/15/09/690151509.db2.gz IIHGXFMJURBOHU-UHFFFAOYSA-N 1 0 309.406 2.002 20 10 DECDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877630543 690173021 /nfs/dbraw/zinc/17/30/21/690173021.db2.gz GSELUSIUZHNYJT-VQIMIIECSA-N 1 0 316.445 2.116 20 10 DECDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877632260 690173531 /nfs/dbraw/zinc/17/35/31/690173531.db2.gz TVHYYGBPZBMKFW-ZWKOTPCHSA-N 1 0 316.445 2.041 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c1 ZINC000877680296 690188800 /nfs/dbraw/zinc/18/88/00/690188800.db2.gz VGCMUGRQZAHSRG-UHFFFAOYSA-N 1 0 310.397 2.287 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCCOC1 ZINC000877699111 690195753 /nfs/dbraw/zinc/19/57/53/690195753.db2.gz XPDJHXCZDCAGMX-SFHVURJKSA-N 1 0 320.433 2.202 20 10 DECDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743266 690212277 /nfs/dbraw/zinc/21/22/77/690212277.db2.gz JHYIFSZVLZIWEM-HKUYNNGSSA-N 1 0 315.461 2.049 20 10 DECDRO OCC1(CO)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000877799451 690234744 /nfs/dbraw/zinc/23/47/44/690234744.db2.gz NVUVAZTXDYEDMU-UHFFFAOYSA-N 1 0 318.461 2.244 20 10 DECDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000877821762 690241570 /nfs/dbraw/zinc/24/15/70/690241570.db2.gz MYAQLRUJFKPHAY-LBPRGKRZSA-N 1 0 321.373 2.286 20 10 DECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877830580 690244762 /nfs/dbraw/zinc/24/47/62/690244762.db2.gz NXJWRMFTYFESEP-LLVKDONJSA-N 1 0 323.389 2.040 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCc3ncnn32)C2CC2)cc1 ZINC000877976342 690275540 /nfs/dbraw/zinc/27/55/40/690275540.db2.gz IDTBJDPOUQUJSO-QGZVFWFLSA-N 1 0 311.433 2.496 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC2(CO)CCCC2)c1 ZINC000878360843 690387990 /nfs/dbraw/zinc/38/79/90/690387990.db2.gz UKZDAKKVEVTFAY-KGLIPLIRSA-N 1 0 323.433 2.355 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000878455314 690412234 /nfs/dbraw/zinc/41/22/34/690412234.db2.gz WCZNUKFCEFLGSH-YOEHRIQHSA-N 1 0 306.450 2.459 20 10 DECDRO CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001037132289 690577353 /nfs/dbraw/zinc/57/73/53/690577353.db2.gz BBLLKBVYQCMNNS-GXTWGEPZSA-N 1 0 317.393 2.357 20 10 DECDRO Cc1cc(C[NH+]2CCC(CCO)(CCO)CC2)ccc1N(C)C ZINC000879280126 690609439 /nfs/dbraw/zinc/60/94/39/690609439.db2.gz YNJREVUCRFEIJK-UHFFFAOYSA-N 1 0 320.477 2.408 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880584286 690933477 /nfs/dbraw/zinc/93/34/77/690933477.db2.gz HSQGPYLRVVOAKK-QGZVFWFLSA-N 1 0 304.434 2.116 20 10 DECDRO CSC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851717 691174003 /nfs/dbraw/zinc/17/40/03/691174003.db2.gz PFNABGQRSZRIMX-CQSZACIVSA-N 1 0 321.490 2.054 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C)CCC3)cc2)CC1 ZINC000881851220 691174045 /nfs/dbraw/zinc/17/40/45/691174045.db2.gz QAHLHBKDQFTBAJ-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncnc4[nH]ccc43)cc2)CC1 ZINC000882880515 691377498 /nfs/dbraw/zinc/37/74/98/691377498.db2.gz WPCNXEILZDLPOU-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C ZINC000882880219 691377826 /nfs/dbraw/zinc/37/78/26/691377826.db2.gz HYWIYFHGJIYEFA-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO CC(C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883036167 691416891 /nfs/dbraw/zinc/41/68/91/691416891.db2.gz BRQTYSZTVGHPEQ-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CON(C)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000883172103 691447128 /nfs/dbraw/zinc/44/71/28/691447128.db2.gz VMWOTJWFMSRUQZ-UHFFFAOYSA-N 1 0 305.344 2.354 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000883394038 691496391 /nfs/dbraw/zinc/49/63/91/691496391.db2.gz RAOGEVMMTBAADA-XJKSGUPXSA-N 1 0 301.434 2.414 20 10 DECDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000884205558 691682516 /nfs/dbraw/zinc/68/25/16/691682516.db2.gz ZVTKDDPHFSQCPO-INIZCTEOSA-N 1 0 303.450 2.319 20 10 DECDRO CCc1nccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000884581969 691766727 /nfs/dbraw/zinc/76/67/27/691766727.db2.gz QALYDMVKCVAOKV-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO Cc1c[nH+]ccc1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000884693488 691784896 /nfs/dbraw/zinc/78/48/96/691784896.db2.gz BHSUEHPKIAAWGO-UHFFFAOYSA-N 1 0 324.428 2.126 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885940207 691967460 /nfs/dbraw/zinc/96/74/60/691967460.db2.gz DDUNOSUXVTYPSI-HKUYNNGSSA-N 1 0 316.445 2.382 20 10 DECDRO C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665155 692756811 /nfs/dbraw/zinc/75/68/11/692756811.db2.gz HFVOBZBBZDKTQK-GJZGRUSLSA-N 1 0 316.449 2.131 20 10 DECDRO C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669771 692757610 /nfs/dbraw/zinc/75/76/10/692757610.db2.gz QWQJEWQPSXLVQO-OAHLLOKOSA-N 1 0 316.449 2.132 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(C)n3)CC2)cc1 ZINC000924908699 693200212 /nfs/dbraw/zinc/20/02/12/693200212.db2.gz YCXSXMGRURVKIC-ZDUSSCGKSA-N 1 0 315.421 2.143 20 10 DECDRO COc1ccc(O)c([C@@H](C)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925750206 693334486 /nfs/dbraw/zinc/33/44/86/693334486.db2.gz DXICDBPWTVXBLY-SNVBAGLBSA-N 1 0 319.430 2.435 20 10 DECDRO [NH3+]Cc1nc2c(s1)CCN([C@H]1CCc3cccc(O)c31)C2 ZINC000925749156 693335225 /nfs/dbraw/zinc/33/52/25/693335225.db2.gz HLDOMQJXGNFHKQ-LBPRGKRZSA-N 1 0 301.415 2.353 20 10 DECDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925847428 693352953 /nfs/dbraw/zinc/35/29/53/693352953.db2.gz VONQYYFWCYBBBS-HFBAOOFYSA-N 1 0 305.378 2.483 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)c1cnnn1C ZINC000926597518 693476958 /nfs/dbraw/zinc/47/69/58/693476958.db2.gz YMTBNCGBYZPSAZ-UONOGXRCSA-N 1 0 301.438 2.471 20 10 DECDRO Cc1cc(C(=O)NCCC(C)(C)[NH3+])c(C)n1-c1ccccn1 ZINC001333695985 1150080822 /nfs/dbraw/zinc/08/08/22/1150080822.db2.gz MQFWCCLAKPNBJF-UHFFFAOYSA-N 1 0 300.406 2.346 20 10 DECDRO Cc1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC001334344357 1150278068 /nfs/dbraw/zinc/27/80/68/1150278068.db2.gz FAUDVQMIVUNLAG-SFHVURJKSA-N 1 0 313.449 2.244 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC001334403507 1150298220 /nfs/dbraw/zinc/29/82/20/1150298220.db2.gz WJOPUXBHZDVTDZ-HNNXBMFYSA-N 1 0 321.417 2.073 20 10 DECDRO CC(C)(C[NH3+])C1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC001335551355 1150450738 /nfs/dbraw/zinc/45/07/38/1150450738.db2.gz KMFKVCZCEYKTEV-UHFFFAOYSA-N 1 0 318.465 2.218 20 10 DECDRO Cn1nnnc1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC001335577637 1150460407 /nfs/dbraw/zinc/46/04/07/1150460407.db2.gz HBAIPAZQPFOKNG-UHFFFAOYSA-N 1 0 323.400 2.305 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC001335697092 1150503793 /nfs/dbraw/zinc/50/37/93/1150503793.db2.gz UTTGVJJLMZRZBY-QWHCGFSZSA-N 1 0 321.421 2.293 20 10 DECDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001348268329 1151140149 /nfs/dbraw/zinc/14/01/49/1151140149.db2.gz PYXHTOBGGQSTTK-AWEZNQCLSA-N 1 0 313.392 2.281 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1cccs1 ZINC001356547664 1152088673 /nfs/dbraw/zinc/08/86/73/1152088673.db2.gz HSWQVRPDXODCFH-AWEZNQCLSA-N 1 0 318.446 2.432 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c1O ZINC001233110079 782216535 /nfs/dbraw/zinc/21/65/35/782216535.db2.gz RPLSEGABSHCMBT-STQMWFEESA-N 1 0 311.223 2.351 20 10 DECDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)sn1 ZINC000399082975 790312229 /nfs/dbraw/zinc/31/22/29/790312229.db2.gz YEECINHCNJLZQH-UHFFFAOYSA-N 1 0 319.430 2.278 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ncccc2C)cc1C ZINC001125434281 776963612 /nfs/dbraw/zinc/96/36/12/776963612.db2.gz IECVWJSDAKBFAW-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO CCc1cncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426552 777018901 /nfs/dbraw/zinc/01/89/01/777018901.db2.gz JGZHNXKDQDZPHR-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCCCO2)cc1C ZINC001125533238 777155951 /nfs/dbraw/zinc/15/59/51/777155951.db2.gz YVWOYAXSVBKMLW-INIZCTEOSA-N 1 0 320.433 2.169 20 10 DECDRO COc1cc(O)c(CN2CC[C@](C)([NH3+])C2)c(Br)c1 ZINC001204801790 779984303 /nfs/dbraw/zinc/98/43/03/779984303.db2.gz UXXIGLCVUHNTAH-ZDUSSCGKSA-N 1 0 315.211 2.086 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144504053 790935279 /nfs/dbraw/zinc/93/52/79/790935279.db2.gz JWGMHDLKFRIDBX-ZDUSSCGKSA-N 1 0 321.295 2.083 20 10 DECDRO COc1ccccc1CC[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514785 790942444 /nfs/dbraw/zinc/94/24/44/790942444.db2.gz RVCLVBSOHBKINS-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001144515949 790943935 /nfs/dbraw/zinc/94/39/35/790943935.db2.gz KCTRGALMPOUYEL-CQSZACIVSA-N 1 0 316.357 2.242 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)c(O)c1OC ZINC001333680348 1150078489 /nfs/dbraw/zinc/07/84/89/1150078489.db2.gz QFSUPNITKVXDKG-CQSZACIVSA-N 1 0 321.348 2.372 20 10 DECDRO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086281907 784542996 /nfs/dbraw/zinc/54/29/96/784542996.db2.gz LUYILLGNDRMUQL-VDISTLRHSA-N 1 0 317.393 2.355 20 10 DECDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CO1 ZINC001169350887 785143539 /nfs/dbraw/zinc/14/35/39/785143539.db2.gz KYDBOSNOFPJXGO-XJKSGUPXSA-N 1 0 307.390 2.209 20 10 DECDRO CCOC(=O)[C@H]1CC[C@H]([N@H+](CC)Cc2ccccc2O)CO1 ZINC001169411376 785183368 /nfs/dbraw/zinc/18/33/68/785183368.db2.gz SFQVMOHTXIMRPM-GOEBONIOSA-N 1 0 307.390 2.325 20 10 DECDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1O ZINC000691489102 786085695 /nfs/dbraw/zinc/08/56/95/786085695.db2.gz QDHVUYZMLHYUMF-UHFFFAOYSA-N 1 0 315.211 2.017 20 10 DECDRO CCc1nocc1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133481081 788440448 /nfs/dbraw/zinc/44/04/48/788440448.db2.gz OFUQAJAYIDLILG-UHFFFAOYSA-N 1 0 317.389 2.074 20 10 DECDRO [NH3+][C@H]1CCN(Cc2cc(Br)ccc2O)CC[C@@H]1F ZINC001206153721 793271305 /nfs/dbraw/zinc/27/13/05/793271305.db2.gz FICHONHJEWIRJJ-RYUDHWBXSA-N 1 0 317.202 2.416 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001116761644 794984083 /nfs/dbraw/zinc/98/40/83/794984083.db2.gz KXWPYUPFMYYGNI-ZNMIVQPWSA-N 1 0 323.433 2.253 20 10 DECDRO OC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC001117948179 795130175 /nfs/dbraw/zinc/13/01/75/795130175.db2.gz NYYITIMNZGMUBJ-WMZOPIPTSA-N 1 0 304.434 2.164 20 10 DECDRO C[NH2+][C@H](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001118132337 795157806 /nfs/dbraw/zinc/15/78/06/795157806.db2.gz WXYFWZSMYIMXMB-LLVKDONJSA-N 1 0 318.446 2.044 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC001180305647 795270850 /nfs/dbraw/zinc/27/08/50/795270850.db2.gz NGLPHKXOCKUBAP-VVVCHXIZSA-N 1 0 320.252 2.320 20 10 DECDRO COc1cccc(CN2CCC([NH2+]C3CCOCC3)CC2)c1O ZINC001119516649 795316349 /nfs/dbraw/zinc/31/63/49/795316349.db2.gz FDEZGAVQZMSDHK-UHFFFAOYSA-N 1 0 320.433 2.134 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)CF)[NH+](C)C)cc1 ZINC001119990906 795384460 /nfs/dbraw/zinc/38/44/60/795384460.db2.gz YWGIZJCCTUABMX-HNNXBMFYSA-N 1 0 324.444 2.403 20 10 DECDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001206445082 795437939 /nfs/dbraw/zinc/43/79/39/795437939.db2.gz MYOBMLFTAAHGKF-VHSXEESVSA-N 1 0 321.165 2.165 20 10 DECDRO Nc1ccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC001120591680 795493515 /nfs/dbraw/zinc/49/35/15/795493515.db2.gz FOWVNHNEGWCKAI-UHFFFAOYSA-N 1 0 312.417 2.329 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N)cc3)C[C@@H]2C1 ZINC001120677014 795511200 /nfs/dbraw/zinc/51/12/00/795511200.db2.gz HUJDINPCTYFXNZ-YQQAZPJKSA-N 1 0 316.449 2.141 20 10 DECDRO COCCC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204321120 795615207 /nfs/dbraw/zinc/61/52/07/795615207.db2.gz GWROIIWWADSCGE-UHFFFAOYSA-N 1 0 317.477 2.441 20 10 DECDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 ZINC001122334556 795748171 /nfs/dbraw/zinc/74/81/71/795748171.db2.gz CGZHFLSZRGMUBP-GXMNPTEKSA-N 1 0 308.385 2.044 20 10 DECDRO c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138215856 796184081 /nfs/dbraw/zinc/18/40/81/796184081.db2.gz YODOUSNVLMKOIJ-UHFFFAOYSA-N 1 0 311.433 2.327 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc2n1C ZINC001138257130 796188565 /nfs/dbraw/zinc/18/85/65/796188565.db2.gz XLZBQPUICNKXAC-MRXNPFEDSA-N 1 0 313.445 2.393 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338939 796200559 /nfs/dbraw/zinc/20/05/59/796200559.db2.gz WOWYKTVUKQHSOE-LJQANCHMSA-N 1 0 316.445 2.295 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC001138495510 796227448 /nfs/dbraw/zinc/22/74/48/796227448.db2.gz KKMLQYCSPOXIBL-MAUKXSAKSA-N 1 0 304.434 2.116 20 10 DECDRO CC(C)[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138500227 796228953 /nfs/dbraw/zinc/22/89/53/796228953.db2.gz ULVGEFMGVIDCRZ-KRWDZBQOSA-N 1 0 317.477 2.438 20 10 DECDRO COc1cc(CN2CCC(=O)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139256319 796350454 /nfs/dbraw/zinc/35/04/54/796350454.db2.gz YPVQSMNZMWKGMR-LBPRGKRZSA-N 1 0 306.406 2.016 20 10 DECDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404518 796371282 /nfs/dbraw/zinc/37/12/82/796371282.db2.gz LYWNLWROAHHPRS-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1=O ZINC001139404732 796371550 /nfs/dbraw/zinc/37/15/50/796371550.db2.gz YECCGKWVPBRYJY-MRXNPFEDSA-N 1 0 315.461 2.239 20 10 DECDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC001186850212 796447071 /nfs/dbraw/zinc/44/70/71/796447071.db2.gz TVKVWAMMTCMTOK-LBPRGKRZSA-N 1 0 315.417 2.480 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001140184741 796487604 /nfs/dbraw/zinc/48/76/04/796487604.db2.gz GKTRVRMPDPBRCG-OAHLLOKOSA-N 1 0 302.418 2.500 20 10 DECDRO c1cc(C[NH2+]Cc2ccc(-c3nncnn3)cc2)cc2c1OCC2 ZINC001203018089 796496924 /nfs/dbraw/zinc/49/69/24/796496924.db2.gz IGMIJDZCYZFETM-UHFFFAOYSA-N 1 0 319.368 2.158 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(C)O ZINC001140282696 796501791 /nfs/dbraw/zinc/50/17/91/796501791.db2.gz HQZSTLRKSAOORC-DNVCBOLYSA-N 1 0 318.461 2.241 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCO4)C3)cc2)CC1 ZINC001140285980 796501863 /nfs/dbraw/zinc/50/18/63/796501863.db2.gz WTQYGVPJPIJNIV-IBGZPJMESA-N 1 0 316.445 2.403 20 10 DECDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1CO ZINC001140282529 796501972 /nfs/dbraw/zinc/50/19/72/796501972.db2.gz CPBOQJNOQOFAFD-HNAYVOBHSA-N 1 0 318.461 2.241 20 10 DECDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140585449 796542030 /nfs/dbraw/zinc/54/20/30/796542030.db2.gz IZOLORVWSWOSMV-LLVKDONJSA-N 1 0 307.300 2.114 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c1 ZINC001140620409 796546530 /nfs/dbraw/zinc/54/65/30/796546530.db2.gz NLHJNYHBWSANLS-HNNXBMFYSA-N 1 0 302.418 2.391 20 10 DECDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203665260 796555930 /nfs/dbraw/zinc/55/59/30/796555930.db2.gz FEUNZBNJZTVMPO-FZMZJTMJSA-N 1 0 308.809 2.488 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001140850246 796583213 /nfs/dbraw/zinc/58/32/13/796583213.db2.gz HVLKFKBCCDNMRO-QGZVFWFLSA-N 1 0 321.465 2.001 20 10 DECDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140855891 796584383 /nfs/dbraw/zinc/58/43/83/796584383.db2.gz DMOZZBKHURHBJV-INIZCTEOSA-N 1 0 319.449 2.339 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c(O)c1 ZINC001140857750 796584783 /nfs/dbraw/zinc/58/47/83/796584783.db2.gz YUMHTGXCYIDWGR-UHFFFAOYSA-N 1 0 303.450 2.376 20 10 DECDRO CN(C)c1ccc(CN2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC001140921386 796597242 /nfs/dbraw/zinc/59/72/42/796597242.db2.gz CTWMABRHLKHBGY-UHFFFAOYSA-N 1 0 324.900 2.085 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c(OC)c1 ZINC001141028382 796620296 /nfs/dbraw/zinc/62/02/96/796620296.db2.gz MQGGDUBCWXQSCQ-ZDUSSCGKSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(OC)c1 ZINC001141028585 796620691 /nfs/dbraw/zinc/62/06/91/796620691.db2.gz VTXUPRVWPIQNOD-CQSZACIVSA-N 1 0 320.433 2.470 20 10 DECDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(O)ccc3O)CC[C@@H]21 ZINC001141159848 796642092 /nfs/dbraw/zinc/64/20/92/796642092.db2.gz LCITVEFPZKXBML-BBRMVZONSA-N 1 0 318.417 2.177 20 10 DECDRO Oc1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141156458 796642279 /nfs/dbraw/zinc/64/22/79/796642279.db2.gz LAJZBBJINRESEM-ZDUSSCGKSA-N 1 0 305.296 2.377 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001143104706 796802182 /nfs/dbraw/zinc/80/21/82/796802182.db2.gz XWOXXJJFSDKAFV-SFHVURJKSA-N 1 0 302.418 2.402 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCO2)cc1C ZINC001156613515 798042387 /nfs/dbraw/zinc/04/23/87/798042387.db2.gz OENZYFYPNNGOMD-KRWDZBQOSA-N 1 0 320.433 2.169 20 10 DECDRO C[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C[C@@H]1[NH3+] ZINC001205888989 798621538 /nfs/dbraw/zinc/62/15/38/798621538.db2.gz NDRPKCLLPBCINZ-KCJUWKMLSA-N 1 0 315.211 2.029 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2conc2C)cc1C ZINC001165685223 799761699 /nfs/dbraw/zinc/76/16/99/799761699.db2.gz WBDFMWMSYFSZAN-UHFFFAOYSA-N 1 0 317.389 2.210 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1 ZINC000932774301 799931544 /nfs/dbraw/zinc/93/15/44/799931544.db2.gz VIVVQXOBNIUHJW-QGZVFWFLSA-N 1 0 317.433 2.463 20 10 DECDRO O=C1N(c2cccnc2)CC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552055 800078541 /nfs/dbraw/zinc/07/85/41/800078541.db2.gz YPYMIGVHZDOTHM-IBGZPJMESA-N 1 0 323.396 2.416 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1O ZINC001203593002 800086500 /nfs/dbraw/zinc/08/65/00/800086500.db2.gz JKAOSZONQIVQDJ-QGZVFWFLSA-N 1 0 304.390 2.036 20 10 DECDRO COc1cccc(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c1O ZINC001203600192 800087922 /nfs/dbraw/zinc/08/79/22/800087922.db2.gz WLJDVBJFOXWZSZ-OAHLLOKOSA-N 1 0 306.406 2.232 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c1O ZINC001203601893 800088207 /nfs/dbraw/zinc/08/82/07/800088207.db2.gz PVINXEXJWIUKGW-AWEZNQCLSA-N 1 0 315.373 2.234 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)OC)C3(CC3)C2)c1O ZINC001203617853 800091616 /nfs/dbraw/zinc/09/16/16/800091616.db2.gz VOOHTZYCOFIVJU-CYBMUJFWSA-N 1 0 305.374 2.176 20 10 DECDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1O)C2 ZINC001203622960 800092274 /nfs/dbraw/zinc/09/22/74/800092274.db2.gz HBUYXTWEZAGMKC-QZTJIDSGSA-N 1 0 321.417 2.418 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c1 ZINC001203683788 800106489 /nfs/dbraw/zinc/10/64/89/800106489.db2.gz CQXGRUPEVYFXFM-OAHLLOKOSA-N 1 0 315.373 2.153 20 10 DECDRO COC1(OC)CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC001203759683 800119574 /nfs/dbraw/zinc/11/95/74/800119574.db2.gz MZYUXJGTFLRVCN-UHFFFAOYSA-N 1 0 316.195 2.396 20 10 DECDRO O=C(C1CC[NH+](Cc2ccc(O)cc2O)CC1)N1CCCCC1 ZINC001204274493 800197936 /nfs/dbraw/zinc/19/79/36/800197936.db2.gz CETZMKAEUVPBIS-UHFFFAOYSA-N 1 0 318.417 2.322 20 10 DECDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277617 800198930 /nfs/dbraw/zinc/19/89/30/800198930.db2.gz GZKJIRWATCMMRA-UHFFFAOYSA-N 1 0 306.406 2.321 20 10 DECDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204275782 800199438 /nfs/dbraw/zinc/19/94/38/800199438.db2.gz AWTVOSUJGLXORB-AGGWBTHJSA-N 1 0 320.389 2.053 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329017 800205679 /nfs/dbraw/zinc/20/56/79/800205679.db2.gz BKXWEVHBKUABAL-UHFFFAOYSA-N 1 0 316.449 2.180 20 10 DECDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(O)c(Br)cc1O ZINC001205083749 800294825 /nfs/dbraw/zinc/29/48/25/800294825.db2.gz YOPZVAILENDROP-WPRPVWTQSA-N 1 0 315.211 2.172 20 10 DECDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205239475 800327980 /nfs/dbraw/zinc/32/79/80/800327980.db2.gz BZOJCXPXPBDSST-AWEZNQCLSA-N 1 0 318.339 2.087 20 10 DECDRO C[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C[C@@H]1[NH3+] ZINC001205888836 800439052 /nfs/dbraw/zinc/43/90/52/800439052.db2.gz LJTZSOXAFHBITI-KOLCDFICSA-N 1 0 304.312 2.460 20 10 DECDRO Cc1cccc(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC001231591779 801691304 /nfs/dbraw/zinc/69/13/04/801691304.db2.gz AANBYRJJTPQTNO-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231633881 801700232 /nfs/dbraw/zinc/70/02/32/801700232.db2.gz BVAXOICGNDLZHP-GFCCVEGCSA-N 1 0 323.389 2.272 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c(O)c1 ZINC001231846197 801735915 /nfs/dbraw/zinc/73/59/15/801735915.db2.gz HRUPMKZHYHGGTK-UHFFFAOYSA-N 1 0 304.434 2.304 20 10 DECDRO COc1cc(N(C)C)ccc1CN1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001231858770 801739371 /nfs/dbraw/zinc/73/93/71/801739371.db2.gz ZHZPULBSIDIWAH-PBHICJAKSA-N 1 0 303.450 2.287 20 10 DECDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232193997 801813689 /nfs/dbraw/zinc/81/36/89/801813689.db2.gz DOEHFBMVQWHJDF-AWEZNQCLSA-N 1 0 310.825 2.133 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCOC1 ZINC001232202984 801817061 /nfs/dbraw/zinc/81/70/61/801817061.db2.gz KTXNCSOXLCLJOZ-CQSZACIVSA-N 1 0 310.825 2.397 20 10 DECDRO CC[N@H+](CCOC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232401465 801870266 /nfs/dbraw/zinc/87/02/66/801870266.db2.gz KNYDGOGZILMQGW-UHFFFAOYSA-N 1 0 304.390 2.433 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c(O)c1 ZINC001232835650 801968091 /nfs/dbraw/zinc/96/80/91/801968091.db2.gz FDWPVKOTDCZEGJ-OAHLLOKOSA-N 1 0 304.434 2.443 20 10 DECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232840659 801970085 /nfs/dbraw/zinc/97/00/85/801970085.db2.gz FPXYRRBDNIVZLF-BJJXKVORSA-N 1 0 318.417 2.232 20 10 DECDRO COc1cc2c(cn1)CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232841838 801970730 /nfs/dbraw/zinc/97/07/30/801970730.db2.gz UHLVQRIZMLUSHX-UHFFFAOYSA-N 1 0 313.401 2.420 20 10 DECDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841554 801971013 /nfs/dbraw/zinc/97/10/13/801971013.db2.gz JPPORSSPAHATFQ-OAHLLOKOSA-N 1 0 319.449 2.195 20 10 DECDRO C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014108 802003144 /nfs/dbraw/zinc/00/31/44/802003144.db2.gz ZKRQFKKFACHLCW-UHFFFAOYSA-N 1 0 316.357 2.293 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CO)cc1Br ZINC001233138134 802034894 /nfs/dbraw/zinc/03/48/94/802034894.db2.gz WEKOKHQWJPIMJX-JTQLQIEISA-N 1 0 316.195 2.120 20 10 DECDRO Oc1cc(O)c(CN2CC[NH+](CC3CCCC3)CC2)cc1O ZINC001233484947 802127831 /nfs/dbraw/zinc/12/78/31/802127831.db2.gz CVODLALSQUONQU-UHFFFAOYSA-N 1 0 306.406 2.111 20 10 DECDRO Cc1cc(O[C@@H]2CC[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218038404 802135816 /nfs/dbraw/zinc/13/58/16/802135816.db2.gz IABJSUKPXZQSHS-LLVKDONJSA-N 1 0 323.348 2.217 20 10 DECDRO CCOC(=O)[C@H](CC(C)C)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218287858 802164413 /nfs/dbraw/zinc/16/44/13/802164413.db2.gz YIMQIXDCMLCQCT-KRWDZBQOSA-N 1 0 320.433 2.453 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234552802 802413024 /nfs/dbraw/zinc/41/30/24/802413024.db2.gz ITWRUXXKOAANNO-UHFFFAOYSA-N 1 0 302.374 2.251 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000315909146 802491018 /nfs/dbraw/zinc/49/10/18/802491018.db2.gz MYYDOWYCOAGDPU-INIZCTEOSA-N 1 0 305.466 2.451 20 10 DECDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001345607404 1150898805 /nfs/dbraw/zinc/89/88/05/1150898805.db2.gz XLSLCKALNIXTEJ-XJFOESAGSA-N 1 0 310.413 2.298 20 10 DECDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(N)cc2)C1 ZINC001346173376 1150947709 /nfs/dbraw/zinc/94/77/09/1150947709.db2.gz COSYKCXWYICOCT-GASCZTMLSA-N 1 0 318.465 2.436 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603655791 1070022172 /nfs/dbraw/zinc/02/21/72/1070022172.db2.gz ARJWKJSZCFONDV-VHSXEESVSA-N 1 0 305.407 2.119 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(Cc3nncn3C)CC2)cc1 ZINC001460804868 1058511417 /nfs/dbraw/zinc/51/14/17/1058511417.db2.gz MJFLVIJRHXARQP-UHFFFAOYSA-N 1 0 313.449 2.336 20 10 DECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC001461049082 1058578091 /nfs/dbraw/zinc/57/80/91/1058578091.db2.gz FKMYFMNRMHKMIW-UHFFFAOYSA-N 1 0 316.804 2.387 20 10 DECDRO COC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC001329009578 1148857256 /nfs/dbraw/zinc/85/72/56/1148857256.db2.gz ULXGEJZOYBPHQA-UHFFFAOYSA-N 1 0 314.376 2.316 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC001462598851 1058861161 /nfs/dbraw/zinc/86/11/61/1058861161.db2.gz YOJWYIAANBFLCW-PBHICJAKSA-N 1 0 305.466 2.240 20 10 DECDRO COc1cc(Cl)cc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1O ZINC001462615315 1058863743 /nfs/dbraw/zinc/86/37/43/1058863743.db2.gz AHIJCZNGNAXKMH-WBMJQRKESA-N 1 0 310.825 2.438 20 10 DECDRO CCOC(OCC)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001462688222 1058886430 /nfs/dbraw/zinc/88/64/30/1058886430.db2.gz NLTPLWPTRWIDDF-NSHDSACASA-N 1 0 313.394 2.287 20 10 DECDRO CCOCc1cc(C[NH2+]CCNC(=O)C(C)(C)C)ccc1OC ZINC001474029072 1060800606 /nfs/dbraw/zinc/80/06/06/1060800606.db2.gz HDVFGLMZMHEEIF-UHFFFAOYSA-N 1 0 322.449 2.484 20 10 DECDRO CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507052407 1062742611 /nfs/dbraw/zinc/74/26/11/1062742611.db2.gz PPKUNFAGMSRISO-HUUCEWRRSA-N 1 0 322.449 2.365 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCOC2)cc1C ZINC001480751366 1063295590 /nfs/dbraw/zinc/29/55/90/1063295590.db2.gz CREKQYGLTTUZJZ-HOCLYGCPSA-N 1 0 320.433 2.025 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001329174676 1148871534 /nfs/dbraw/zinc/87/15/34/1148871534.db2.gz YANDZAQDRHZBBD-LSDHHAIUSA-N 1 0 305.422 2.373 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(O)(C(C)C)CC2)cc1OC ZINC001621564314 1078176961 /nfs/dbraw/zinc/17/69/61/1078176961.db2.gz AEJLYDCLKDITAK-UHFFFAOYSA-N 1 0 309.406 2.392 20 10 DECDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881354 1066710986 /nfs/dbraw/zinc/71/09/86/1066710986.db2.gz KRIWUHYGNXPLIV-HRCADAONSA-N 1 0 317.477 2.218 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)c1O ZINC001636061479 1078467083 /nfs/dbraw/zinc/46/70/83/1078467083.db2.gz OIAHSXAJIAGXGD-AWEZNQCLSA-N 1 0 306.406 2.137 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1 ZINC001578424744 1067095477 /nfs/dbraw/zinc/09/54/77/1067095477.db2.gz ULWHBZCQQURLHL-OWCLPIDISA-N 1 0 319.449 2.072 20 10 DECDRO Cc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(O)c1O ZINC001579660910 1067399319 /nfs/dbraw/zinc/39/93/19/1067399319.db2.gz VJFOIXLKHZQQHA-MRXNPFEDSA-N 1 0 318.417 2.256 20 10 DECDRO [NH3+]C1CC2(C1)CC(NC(=O)NCc1cc(Cl)ccc1O)C2 ZINC001580165145 1067514691 /nfs/dbraw/zinc/51/46/91/1067514691.db2.gz GAZIDKJPWWCNFV-UHFFFAOYSA-N 1 0 309.797 2.115 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C[N@@H+]2C1 ZINC001520742176 1069174605 /nfs/dbraw/zinc/17/46/05/1069174605.db2.gz YXCKJWSWDZMEPW-UWWQBHOKSA-N 1 0 315.461 2.489 20 10 DECDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001543307386 1072488680 /nfs/dbraw/zinc/48/86/80/1072488680.db2.gz MYEFMSOQCORMGW-UHFFFAOYSA-N 1 0 322.449 2.467 20 10 DECDRO O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272619628 1079016644 /nfs/dbraw/zinc/01/66/44/1079016644.db2.gz XFYBVTHXXYNWOQ-CYBMUJFWSA-N 1 0 324.371 2.376 20 10 DECDRO C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC001556167087 1075022242 /nfs/dbraw/zinc/02/22/42/1075022242.db2.gz WOZLRUYXYVTCLN-ZDUSSCGKSA-N 1 0 306.406 2.021 20 10 DECDRO Cc1cc(C[NH+]2CCC(Cc3nn[nH]n3)CC2)ccc1N(C)C ZINC001560114421 1075131717 /nfs/dbraw/zinc/13/17/17/1075131717.db2.gz MYLQBBBXRPMFPA-UHFFFAOYSA-N 1 0 314.437 2.029 20 10 DECDRO C[NH+](C)CCOC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001560700043 1075144435 /nfs/dbraw/zinc/14/44/35/1075144435.db2.gz BGUGCNWDXZTWAV-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C)OC)C2)cc1C ZINC001565838481 1075194477 /nfs/dbraw/zinc/19/44/77/1075194477.db2.gz NJSAEBWFJMEMKA-BMFZPTHFSA-N 1 0 320.433 2.023 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](OC)C(C)C)cc1C ZINC001567050532 1075422955 /nfs/dbraw/zinc/42/29/55/1075422955.db2.gz BQSCCZPRCDTJBL-WMLDXEAASA-N 1 0 322.449 2.269 20 10 DECDRO O=C(c1cccn1C1CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC001580825180 1076004079 /nfs/dbraw/zinc/00/40/79/1076004079.db2.gz JEMRWBHJYGDYSE-UHFFFAOYSA-N 1 0 311.385 2.274 20 10 DECDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001583259559 1076251498 /nfs/dbraw/zinc/25/14/98/1076251498.db2.gz WYHWZROMIPIPDE-UHFFFAOYSA-N 1 0 320.433 2.219 20 10 DECDRO O=C(C[NH2+]Cc1ccc(N2CCCC2)cc1)NC1CCCC1 ZINC001655545822 1080003946 /nfs/dbraw/zinc/00/39/46/1080003946.db2.gz AQMVVMQGXUAJHC-UHFFFAOYSA-N 1 0 301.434 2.435 20 10 DECDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001655734458 1080016144 /nfs/dbraw/zinc/01/61/44/1080016144.db2.gz JWWKEYICJPXNNS-HNNXBMFYSA-N 1 0 321.440 2.236 20 10 DECDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001656354781 1080080618 /nfs/dbraw/zinc/08/06/18/1080080618.db2.gz WFXGVVRUDQAEOA-KRWDZBQOSA-N 1 0 317.477 2.487 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC001656527743 1080100012 /nfs/dbraw/zinc/10/00/12/1080100012.db2.gz VLJRLNNOFLPRGZ-ZDUSSCGKSA-N 1 0 309.417 2.262 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(CO)cs3)C2)cc1 ZINC001656609970 1080106464 /nfs/dbraw/zinc/10/64/64/1080106464.db2.gz CFOQYFPGDPUHHL-LBPRGKRZSA-N 1 0 319.430 2.013 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)[C@H](CO)SC)ccc1OC ZINC001657263688 1080167305 /nfs/dbraw/zinc/16/73/05/1080167305.db2.gz HOXISCWPHNHODD-WBMJQRKESA-N 1 0 313.463 2.434 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(O)c1 ZINC001657445179 1080174608 /nfs/dbraw/zinc/17/46/08/1080174608.db2.gz XGDFMPNSTOSFPQ-CYBMUJFWSA-N 1 0 318.417 2.200 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(O)c1 ZINC001658638517 1080213405 /nfs/dbraw/zinc/21/34/05/1080213405.db2.gz PCTOQYBVRUXGCA-CQSZACIVSA-N 1 0 320.433 2.446 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(O)c1 ZINC001658912023 1080221406 /nfs/dbraw/zinc/22/14/06/1080221406.db2.gz YUGQFMVATFZSEE-ZBFHGGJFSA-N 1 0 309.431 2.416 20 10 DECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001660268101 1080299221 /nfs/dbraw/zinc/29/92/21/1080299221.db2.gz OHNYVGHEUSYEDY-LBPRGKRZSA-N 1 0 315.408 2.032 20 10 DECDRO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C(C)C)ccc3O)C[C@@H]2C1 ZINC001660582935 1080361721 /nfs/dbraw/zinc/36/17/21/1080361721.db2.gz HFENYDPDKOTUAX-CALCHBBNSA-N 1 0 302.418 2.426 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)OC)C2)cc1C ZINC001661578098 1080496654 /nfs/dbraw/zinc/49/66/54/1080496654.db2.gz XWUHBRFLBBHQPA-BMFZPTHFSA-N 1 0 320.433 2.165 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]([S@@](C)=O)C2)cc1F ZINC001663405858 1080741836 /nfs/dbraw/zinc/74/18/36/1080741836.db2.gz UMIHHZAGCVTPTB-SMDDFHAHSA-N 1 0 316.417 2.420 20 10 DECDRO COc1ccc(C[NH2+]CC2(Br)CC2)c(O)c1OC ZINC001665814471 1081085388 /nfs/dbraw/zinc/08/53/88/1081085388.db2.gz PYCDFPCFZKCMLM-UHFFFAOYSA-N 1 0 316.195 2.427 20 10 DECDRO COC[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666865229 1081188232 /nfs/dbraw/zinc/18/82/32/1081188232.db2.gz RALPNCUKWSQCGD-LSDHHAIUSA-N 1 0 322.449 2.223 20 10 DECDRO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CCC1CC1 ZINC001266365092 1082001602 /nfs/dbraw/zinc/00/16/02/1082001602.db2.gz MQHPOCZDMQFERJ-UHFFFAOYSA-N 1 0 317.393 2.311 20 10 DECDRO CCC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266445081 1082041939 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ZINC001319815320 1140736043 /nfs/dbraw/zinc/73/60/43/1140736043.db2.gz SBWRWZFBKKTRJK-CQSZACIVSA-N 1 0 319.424 2.382 20 10 DECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320140233 1140828688 /nfs/dbraw/zinc/82/86/88/1140828688.db2.gz SVQRQYDYYOXZTO-SFHVURJKSA-N 1 0 320.433 2.345 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC001321499735 1141289705 /nfs/dbraw/zinc/28/97/05/1141289705.db2.gz ADKXSKMVICTESJ-NRFANRHFSA-N 1 0 305.399 2.428 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H]([NH3+])CO)n2)cc1 ZINC001249092000 1141849550 /nfs/dbraw/zinc/84/95/50/1141849550.db2.gz HNSBNZACRSSYJP-AWEZNQCLSA-N 1 0 312.373 2.006 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001249177667 1141857093 /nfs/dbraw/zinc/85/70/93/1141857093.db2.gz ICDDBEJYIXBLSD-GOSISDBHSA-N 1 0 319.401 2.253 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1 ZINC001249178799 1141857288 /nfs/dbraw/zinc/85/72/88/1141857288.db2.gz VXUMLBHJOFMMQZ-PBHICJAKSA-N 1 0 319.401 2.109 20 10 DECDRO CCOC1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201071 1141859361 /nfs/dbraw/zinc/85/93/61/1141859361.db2.gz CQUBYVDDOMILHU-UHFFFAOYSA-N 1 0 307.390 2.109 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCOC[C@@](C)(O)C3)ccc2O1 ZINC001249224463 1141862194 /nfs/dbraw/zinc/86/21/94/1141862194.db2.gz ZQIBLLVIFLCEPP-SFHVURJKSA-N 1 0 319.401 2.160 20 10 DECDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)n1 ZINC001249340291 1141876984 /nfs/dbraw/zinc/87/69/84/1141876984.db2.gz XNOBEBQJTRSGIJ-LLVKDONJSA-N 1 0 312.329 2.088 20 10 DECDRO NC(=O)COC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001324337599 1142058124 /nfs/dbraw/zinc/05/81/24/1142058124.db2.gz SBAWRKJOVXTBEP-UHFFFAOYSA-N 1 0 314.385 2.012 20 10 DECDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324379343 1142065814 /nfs/dbraw/zinc/06/58/14/1142065814.db2.gz UGJBTBLGDYEPMT-OAHLLOKOSA-N 1 0 323.456 2.076 20 10 DECDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC1CCOCC1 ZINC001324600442 1142136965 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C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001337840702 1142804534 /nfs/dbraw/zinc/80/45/34/1142804534.db2.gz WCDZFHFHKJPCOQ-MRXNPFEDSA-N 1 0 304.438 2.036 20 10 DECDRO Oc1ccc(F)cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001338308753 1142846918 /nfs/dbraw/zinc/84/69/18/1142846918.db2.gz JUSFDPOIFHQHDC-UHFFFAOYSA-N 1 0 308.397 2.264 20 10 DECDRO CC[NH+](CC)C[C@@H](O)CNCc1ccc(N2CCCCC2)cc1 ZINC001253203271 1142853745 /nfs/dbraw/zinc/85/37/45/1142853745.db2.gz FCCYXGNDWHFNKS-IBGZPJMESA-N 1 0 319.493 2.469 20 10 DECDRO C[C@@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC001338596456 1142865460 /nfs/dbraw/zinc/86/54/60/1142865460.db2.gz PXMXVCXZZXZJMU-VNQPRFMTSA-N 1 0 316.449 2.065 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(C)CC2)[NH+](C)C)cc1 ZINC001340490409 1143357395 /nfs/dbraw/zinc/35/73/95/1143357395.db2.gz GBDRULNZPHGUAI-MRXNPFEDSA-N 1 0 318.465 2.455 20 10 DECDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001255193664 1143482418 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C[N@H+](Cc1ccccc1O)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255988992 1143819627 /nfs/dbraw/zinc/81/96/27/1143819627.db2.gz XCOGGBKPJKNBLW-UHFFFAOYSA-N 1 0 316.323 2.377 20 10 DECDRO COC(=O)CC1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001256974806 1143877579 /nfs/dbraw/zinc/87/75/79/1143877579.db2.gz GQNXDEXVLVSPFU-UHFFFAOYSA-N 1 0 307.390 2.352 20 10 DECDRO COC(=O)CC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001258380053 1144002150 /nfs/dbraw/zinc/00/21/50/1144002150.db2.gz UHVDTHVKQRCBFX-OAHLLOKOSA-N 1 0 320.433 2.467 20 10 DECDRO COc1ccccc1C[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258877405 1144049441 /nfs/dbraw/zinc/04/94/41/1144049441.db2.gz PNGZTSOONOIMBM-SJCJKPOMSA-N 1 0 317.385 2.361 20 10 DECDRO CC[C@@](C)(C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001261256390 1144228309 /nfs/dbraw/zinc/22/83/09/1144228309.db2.gz FSNZJROCKYRXPM-SFHVURJKSA-N 1 0 323.456 2.482 20 10 DECDRO C[C@H]([NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC001262263035 1144302571 /nfs/dbraw/zinc/30/25/71/1144302571.db2.gz DVURTYPNTNRTFT-WMLDXEAASA-N 1 0 306.450 2.459 20 10 DECDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@@H]2C1 ZINC001262488284 1144315725 /nfs/dbraw/zinc/31/57/25/1144315725.db2.gz XBPHAPMOEPRKNV-HEHGZKQESA-N 1 0 302.422 2.463 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@]12C[C@H]1CCC[NH2+]2 ZINC001263115574 1144356814 /nfs/dbraw/zinc/35/68/14/1144356814.db2.gz XCMOFQREPVHCCV-ACJLOTCBSA-N 1 0 300.402 2.029 20 10 DECDRO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1O ZINC001308010256 1147442788 /nfs/dbraw/zinc/44/27/88/1147442788.db2.gz KHHQBVSXACTTGS-JTQLQIEISA-N 1 0 301.371 2.312 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cnc4n[nH]cc4c3)cc2)CC1 ZINC001308539965 1147478554 /nfs/dbraw/zinc/47/85/54/1147478554.db2.gz VJBLIDOZQRWSDB-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cscn2)cc1C ZINC001317228160 1147679786 /nfs/dbraw/zinc/67/97/86/1147679786.db2.gz GFQZTWVZOCHBTI-GFCCVEGCSA-N 1 0 319.430 2.368 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@H]2CN(C)C(=O)O2)C2CC2)cc1 ZINC001324926830 1147858823 /nfs/dbraw/zinc/85/88/23/1147858823.db2.gz BBFCFRHCPQSXKQ-MRXNPFEDSA-N 1 0 303.406 2.168 20 10 DECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326375212 1148088116 /nfs/dbraw/zinc/08/81/16/1148088116.db2.gz GJQXFHUEKNTWBG-WMLDXEAASA-N 1 0 321.440 2.092 20 10 DECDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326452470 1148103103 /nfs/dbraw/zinc/10/31/03/1148103103.db2.gz QUGLJWJMBPHTFH-OAHLLOKOSA-N 1 0 323.456 2.218 20 10 DECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001326724336 1148219431 /nfs/dbraw/zinc/21/94/31/1148219431.db2.gz GRBINUNGLYGLSP-KRWDZBQOSA-N 1 0 317.477 2.439 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410745 185294686 /nfs/dbraw/zinc/29/46/86/185294686.db2.gz OUVWMFXSNXSBTO-DZGCQCFKSA-N 1 0 304.438 2.207 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373931421 530003318 /nfs/dbraw/zinc/00/33/18/530003318.db2.gz BOEOJERFFDGURA-LSDHHAIUSA-N 1 0 303.406 2.160 20 10 DECDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000264791408 530071115 /nfs/dbraw/zinc/07/11/15/530071115.db2.gz XFULVDKARHPDEK-LJQANCHMSA-N 1 0 316.493 2.012 20 10 DECDRO CC1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)OCCO1 ZINC000272927316 535205376 /nfs/dbraw/zinc/20/53/76/535205376.db2.gz HIAPSGYDEHIHBG-ZDUSSCGKSA-N 1 0 321.373 2.096 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079550360 355316589 /nfs/dbraw/zinc/31/65/89/355316589.db2.gz UMRVKUFTVJFDCG-HUUCEWRRSA-N 1 0 303.406 2.160 20 10 DECDRO Cc1cccc2c1CCN2C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592514886 357891135 /nfs/dbraw/zinc/89/11/35/357891135.db2.gz GXFGDXFBIFNFCW-CYBMUJFWSA-N 1 0 310.401 2.231 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000093087922 193201684 /nfs/dbraw/zinc/20/16/84/193201684.db2.gz UTFZEMFJKXZWTA-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc1Cl ZINC001232261186 781983534 /nfs/dbraw/zinc/98/35/34/781983534.db2.gz WIQDBRNGFJQKIU-CQSZACIVSA-N 1 0 303.761 2.438 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1O ZINC000371917461 533522896 /nfs/dbraw/zinc/52/28/96/533522896.db2.gz GBXJNBZTFDMCDJ-IAQYHMDHSA-N 1 0 319.380 2.448 20 10 DECDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)C(F)(F)F ZINC000271795486 129962623 /nfs/dbraw/zinc/96/26/23/129962623.db2.gz HSYJXJGMMFHWFB-ZANVPECISA-N 1 0 323.311 2.201 20 10 DECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000272471468 130033027 /nfs/dbraw/zinc/03/30/27/130033027.db2.gz AIUYVSJWEGTQPS-UWVGGRQHSA-N 1 0 300.196 2.357 20 10 DECDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000272507824 130036720 /nfs/dbraw/zinc/03/67/20/130036720.db2.gz WORQQOZOULUHQM-DOTOQJQBSA-N 1 0 305.349 2.106 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1O ZINC000272714000 130057364 /nfs/dbraw/zinc/05/73/64/130057364.db2.gz FQHGZEPWJFTZJC-AWEZNQCLSA-N 1 0 318.417 2.497 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000284181581 131056927 /nfs/dbraw/zinc/05/69/27/131056927.db2.gz RGYJYSZPPWVRBV-KGLIPLIRSA-N 1 0 310.463 2.228 20 10 DECDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000284586392 131094424 /nfs/dbraw/zinc/09/44/24/131094424.db2.gz ZLJPBYUUADPMOA-HNNXBMFYSA-N 1 0 314.433 2.416 20 10 DECDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287762924 131299293 /nfs/dbraw/zinc/29/92/93/131299293.db2.gz XQJYKZVUJDBBHY-AWEZNQCLSA-N 1 0 304.438 2.036 20 10 DECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000288364844 131322687 /nfs/dbraw/zinc/32/26/87/131322687.db2.gz KUFCUUASJTYSIW-RLWBPUTGSA-N 1 0 316.401 2.196 20 10 DECDRO C[C@@H]1SCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000299392008 132103055 /nfs/dbraw/zinc/10/30/55/132103055.db2.gz UGSDBNAMSZEEJJ-KBPBESRZSA-N 1 0 321.490 2.195 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000026417417 401840421 /nfs/dbraw/zinc/84/04/21/401840421.db2.gz KRNQVHXWRABQQP-UXHICEINSA-N 1 0 324.424 2.476 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000131533156 401852379 /nfs/dbraw/zinc/85/23/79/401852379.db2.gz MWGHKKCGZOPVAI-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726761 401873433 /nfs/dbraw/zinc/87/34/33/401873433.db2.gz CPMOOCSDVJCQMU-UHFFFAOYSA-N 1 0 306.454 2.284 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000121124198 402016317 /nfs/dbraw/zinc/01/63/17/402016317.db2.gz KBBMDLZXKGKOPI-CYBMUJFWSA-N 1 0 303.406 2.018 20 10 DECDRO Cc1nsc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000093663443 402018603 /nfs/dbraw/zinc/01/86/03/402018603.db2.gz NQAMTOMJMIWLFZ-UHFFFAOYSA-N 1 0 318.446 2.491 20 10 DECDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000121472775 402038804 /nfs/dbraw/zinc/03/88/04/402038804.db2.gz BHKDTMHNEQYBEH-UHFFFAOYSA-N 1 0 315.417 2.442 20 10 DECDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185029309 402318318 /nfs/dbraw/zinc/31/83/18/402318318.db2.gz DOYNUYZJKOBWAM-ZDUSSCGKSA-N 1 0 314.451 2.023 20 10 DECDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186605629 402447385 /nfs/dbraw/zinc/44/73/85/402447385.db2.gz YPFXRFNXLQZLCT-ZIAGYGMSSA-N 1 0 309.429 2.208 20 10 DECDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(C)n1-c1ccccn1 ZINC000186818380 402466121 /nfs/dbraw/zinc/46/61/21/402466121.db2.gz MBDSDBCOXYKFDF-WBMJQRKESA-N 1 0 312.417 2.217 20 10 DECDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000178724615 402530672 /nfs/dbraw/zinc/53/06/72/402530672.db2.gz INSZTQVEIGKQRB-YOEHRIQHSA-N 1 0 319.449 2.107 20 10 DECDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179576083 402594912 /nfs/dbraw/zinc/59/49/12/402594912.db2.gz LYTGOCYSGWQRCK-INIZCTEOSA-N 1 0 301.390 2.071 20 10 DECDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000263644080 402785870 /nfs/dbraw/zinc/78/58/70/402785870.db2.gz AWPHRWKNYUIKSZ-UHFFFAOYSA-N 1 0 305.378 2.407 20 10 DECDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000183667949 402786819 /nfs/dbraw/zinc/78/68/19/402786819.db2.gz XVRXIYNFSGBYMK-HIFRSBDPSA-N 1 0 308.422 2.220 20 10 DECDRO COc1c([O-])c(C[N@H+](C)C[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000278136673 402858915 /nfs/dbraw/zinc/85/89/15/402858915.db2.gz AERHDPKWCUINKZ-LLVKDONJSA-N 1 0 310.350 2.167 20 10 DECDRO CN(C)c1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000278774599 402870663 /nfs/dbraw/zinc/87/06/63/402870663.db2.gz UYGANVMCKZVVHX-INIZCTEOSA-N 1 0 310.463 2.152 20 10 DECDRO COc1c([O-])c(C[NH2+]CCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278954588 402890458 /nfs/dbraw/zinc/89/04/58/402890458.db2.gz ZZGHRGNEAOQQOT-UHFFFAOYSA-N 1 0 311.382 2.129 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCCO1 ZINC000279141211 402908708 /nfs/dbraw/zinc/90/87/08/402908708.db2.gz XKZRKKULJXHNRV-HUUCEWRRSA-N 1 0 311.353 2.018 20 10 DECDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000274918694 403096693 /nfs/dbraw/zinc/09/66/93/403096693.db2.gz WUKYNNVLESDWAH-CQSZACIVSA-N 1 0 312.369 2.102 20 10 DECDRO CCCOc1ccc(C[NH2+]Cc2cnn(CCOC)c2)c(O)c1 ZINC000282131147 403125198 /nfs/dbraw/zinc/12/51/98/403125198.db2.gz VOFHIVXFDDZGEM-UHFFFAOYSA-N 1 0 319.405 2.314 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NCCF ZINC000282904272 403163565 /nfs/dbraw/zinc/16/35/65/403163565.db2.gz WXEHREDCBFZCEQ-RYUDHWBXSA-N 1 0 308.397 2.396 20 10 DECDRO OC[C@]1([NH2+]Cc2cc(F)ccc2O)CCOc2ccccc21 ZINC000282490947 403155678 /nfs/dbraw/zinc/15/56/78/403155678.db2.gz XMMGPBPICWAZAW-QGZVFWFLSA-N 1 0 303.333 2.291 20 10 DECDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000270565143 403201242 /nfs/dbraw/zinc/20/12/42/403201242.db2.gz WKZDJRVJKBBRMX-HNNXBMFYSA-N 1 0 318.417 2.164 20 10 DECDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000276494593 403180904 /nfs/dbraw/zinc/18/09/04/403180904.db2.gz BGAMBHGAWWKIMM-QWRGUYRKSA-N 1 0 310.369 2.087 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276540896 403184776 /nfs/dbraw/zinc/18/47/76/403184776.db2.gz GDWNAAGTYMTPKE-UHFFFAOYSA-N 1 0 310.369 2.231 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000271193935 403276729 /nfs/dbraw/zinc/27/67/29/403276729.db2.gz RTYZVDMXDWPLOC-CYBMUJFWSA-N 1 0 310.825 2.200 20 10 DECDRO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000292270983 403340725 /nfs/dbraw/zinc/34/07/25/403340725.db2.gz SFWURZRNXRSEEQ-KDOFPFPSSA-N 1 0 311.429 2.500 20 10 DECDRO CCOCc1cc(C[NH2+]CCCc2cnn(C)n2)ccc1OC ZINC000293043419 403387674 /nfs/dbraw/zinc/38/76/74/403387674.db2.gz SNDVQLKNBLZWIC-UHFFFAOYSA-N 1 0 318.421 2.083 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293753469 403556468 /nfs/dbraw/zinc/55/64/68/403556468.db2.gz OIBXIJJRHFOBBN-UHFFFAOYSA-N 1 0 324.490 2.446 20 10 DECDRO OCC1([C@@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)CCOCC1 ZINC000293787099 403563839 /nfs/dbraw/zinc/56/38/39/403563839.db2.gz ZPCRRHIFWJBLLY-INIZCTEOSA-N 1 0 309.381 2.189 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc2c(cc1O)CCCC2 ZINC000293979974 403614890 /nfs/dbraw/zinc/61/48/90/403614890.db2.gz BHVCUEASQBYIGH-WQVCFCJDSA-N 1 0 305.418 2.462 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294630133 403723725 /nfs/dbraw/zinc/72/37/25/403723725.db2.gz FTYNGDOIRJQPOT-UONOGXRCSA-N 1 0 305.422 2.463 20 10 DECDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295455600 403933884 /nfs/dbraw/zinc/93/38/84/403933884.db2.gz VLXHKJGPZCVLRK-BDAKNGLRSA-N 1 0 323.817 2.438 20 10 DECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000289655907 403991674 /nfs/dbraw/zinc/99/16/74/403991674.db2.gz MZTKCENHBJVDSI-GDBMZVCRSA-N 1 0 321.440 2.187 20 10 DECDRO O=C([C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1)N1CCCC1 ZINC000290297845 404114488 /nfs/dbraw/zinc/11/44/88/404114488.db2.gz AZLHLBRICFXUMX-GFCCVEGCSA-N 1 0 308.809 2.490 20 10 DECDRO Cc1c[nH]nc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290557802 404219818 /nfs/dbraw/zinc/21/98/18/404219818.db2.gz XGXWANVWJIMMCF-UHFFFAOYSA-N 1 0 300.406 2.187 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(F)ccc1O ZINC000363870476 404232066 /nfs/dbraw/zinc/23/20/66/404232066.db2.gz VRRFZXUJEWDDAR-DGCLKSJQSA-N 1 0 304.369 2.194 20 10 DECDRO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000291264129 404379537 /nfs/dbraw/zinc/37/95/37/404379537.db2.gz OWZILMONUBOORO-OAHLLOKOSA-N 1 0 321.465 2.068 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000189974441 225069495 /nfs/dbraw/zinc/06/94/95/225069495.db2.gz VAAMCPZCYGNLGQ-UHFFFAOYSA-N 1 0 316.405 2.295 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834904959 649859129 /nfs/dbraw/zinc/85/91/29/649859129.db2.gz CUZHNABMJOENPF-FZKQIMNGSA-N 1 0 322.424 2.474 20 10 DECDRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(C)cc1O ZINC000280262026 280186615 /nfs/dbraw/zinc/18/66/15/280186615.db2.gz XGFZFGLSNHSGGW-CVEARBPZSA-N 1 0 319.449 2.081 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272621222 289408456 /nfs/dbraw/zinc/40/84/56/289408456.db2.gz WDQMSVBBQLPAPT-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO Cc1cccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000529663907 340767139 /nfs/dbraw/zinc/76/71/39/340767139.db2.gz MRWKKRXJOPXLBW-UHFFFAOYSA-N 1 0 304.434 2.387 20 10 DECDRO COc1ccc(N2CCN(C(=O)C[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC001357327263 1152288908 /nfs/dbraw/zinc/28/89/08/1152288908.db2.gz UZUSSFORAJDPEE-HNNXBMFYSA-N 1 0 319.449 2.107 20 10 DECDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180680881 518706237 /nfs/dbraw/zinc/70/62/37/518706237.db2.gz PKICROKXEFAJJC-FNORWQNLSA-N 1 0 318.417 2.490 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1F ZINC000236911713 520900506 /nfs/dbraw/zinc/90/05/06/520900506.db2.gz AJFFXJQSZDCUDJ-HNNXBMFYSA-N 1 0 307.413 2.430 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179916182 521143012 /nfs/dbraw/zinc/14/30/12/521143012.db2.gz VQDIHWLAZMTYJQ-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC[NH+](C)CC1 ZINC000266138226 521317027 /nfs/dbraw/zinc/31/70/27/521317027.db2.gz LGLFAYAUQGSQBR-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO C[NH+]1CCC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000364992737 523788137 /nfs/dbraw/zinc/78/81/37/523788137.db2.gz DYOURYVBOCANFU-GQCTYLIASA-N 1 0 316.401 2.198 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000263674462 524470279 /nfs/dbraw/zinc/47/02/79/524470279.db2.gz CQXFLTBWHCBRHR-LBPRGKRZSA-N 1 0 310.417 2.031 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C2(CO)CCC2)c1O ZINC000180935508 526158046 /nfs/dbraw/zinc/15/80/46/526158046.db2.gz JMJONLBQKATABE-UHFFFAOYSA-N 1 0 300.196 2.468 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418103394 528409429 /nfs/dbraw/zinc/40/94/29/528409429.db2.gz WFDWYWWWLDBWQD-GFCCVEGCSA-N 1 0 302.422 2.284 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000835047414 649871380 /nfs/dbraw/zinc/87/13/80/649871380.db2.gz GWMFFRIAJODLKJ-OAJJDEHYSA-N 1 0 304.434 2.143 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCCOCC2)cc1 ZINC000835054144 649872511 /nfs/dbraw/zinc/87/25/11/649872511.db2.gz RIYKORWGFZTZLA-HYXAFXHYSA-N 1 0 303.450 2.078 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000835055187 649872941 /nfs/dbraw/zinc/87/29/41/649872941.db2.gz WNDVXNPMWPEWRP-GQCTYLIASA-N 1 0 322.474 2.323 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1 ZINC000835070284 649875089 /nfs/dbraw/zinc/87/50/89/649875089.db2.gz HZOKDOLOTZGIAC-LBPRGKRZSA-N 1 0 315.373 2.221 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835074982 649875921 /nfs/dbraw/zinc/87/59/21/649875921.db2.gz UDZTXUSPSZNCOF-OLZOCXBDSA-N 1 0 324.808 2.297 20 10 DECDRO CS(=O)(=O)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000311679157 625422785 /nfs/dbraw/zinc/42/27/85/625422785.db2.gz QODJJVWCFNNCEE-UHFFFAOYSA-N 1 0 303.811 2.055 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892392663 625425204 /nfs/dbraw/zinc/42/52/04/625425204.db2.gz GLKBJWFVOPDJKT-CQSZACIVSA-N 1 0 305.422 2.312 20 10 DECDRO COc1ccc(C[NH2+]CCc2ccc(CO)cc2)c(O)c1OC ZINC000893302111 625431477 /nfs/dbraw/zinc/43/14/77/625431477.db2.gz GNSYUWJUIAUSKA-UHFFFAOYSA-N 1 0 317.385 2.234 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC000970081373 623100271 /nfs/dbraw/zinc/10/02/71/623100271.db2.gz GISGTXBPQMMPCY-CVEARBPZSA-N 1 0 314.429 2.494 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)c2cncs2)[NH+](C)C)cc1 ZINC000891247106 623791021 /nfs/dbraw/zinc/79/10/21/623791021.db2.gz FBWNVTJCXWZLQP-AWEZNQCLSA-N 1 0 318.446 2.242 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)COC(C)(C)C)[NH+](C)C)cc1 ZINC000891248680 623794595 /nfs/dbraw/zinc/79/45/95/623794595.db2.gz MUYVSFXPTKSYSB-MRXNPFEDSA-N 1 0 321.465 2.287 20 10 DECDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000891251655 623798822 /nfs/dbraw/zinc/79/88/22/623798822.db2.gz DBQXUTGABYRTRX-HNNXBMFYSA-N 1 0 316.405 2.082 20 10 DECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000066191510 625045678 /nfs/dbraw/zinc/04/56/78/625045678.db2.gz KOLQOPIOXWIYQG-CYBMUJFWSA-N 1 0 324.444 2.421 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892569483 625157391 /nfs/dbraw/zinc/15/73/91/625157391.db2.gz FOAJWEVJOAEXLW-CTYIDZIISA-N 1 0 305.422 2.441 20 10 DECDRO CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023146311 625169470 /nfs/dbraw/zinc/16/94/70/625169470.db2.gz QTQXBDOERAQFQH-BETUJISGSA-N 1 0 303.366 2.109 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(O)c1OC ZINC000892590936 625176609 /nfs/dbraw/zinc/17/66/09/625176609.db2.gz ZFTHCOUMLVBCNO-KGLIPLIRSA-N 1 0 306.406 2.126 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCCCCC2)c1 ZINC000182313712 625252920 /nfs/dbraw/zinc/25/29/20/625252920.db2.gz LRTWDPZGSFHVFS-CYBMUJFWSA-N 1 0 306.406 2.454 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000892668579 625255760 /nfs/dbraw/zinc/25/57/60/625255760.db2.gz OCWKEYABCFLUJJ-UHFFFAOYSA-N 1 0 302.374 2.415 20 10 DECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893556497 634656998 /nfs/dbraw/zinc/65/69/98/634656998.db2.gz RJIDDXOWQYXKDG-INIZCTEOSA-N 1 0 311.378 2.231 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000840933985 634779387 /nfs/dbraw/zinc/77/93/87/634779387.db2.gz LJXWOJODEMQPEX-MSOLQXFVSA-N 1 0 303.450 2.014 20 10 DECDRO COc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(O)c1OC ZINC000893584124 634842836 /nfs/dbraw/zinc/84/28/36/634842836.db2.gz MTANPVKKLHUONT-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000837186559 650172395 /nfs/dbraw/zinc/17/23/95/650172395.db2.gz SXAAVICZHJOLKZ-BRLPQQTGSA-N 1 0 304.390 2.052 20 10 DECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921801220 635280676 /nfs/dbraw/zinc/28/06/76/635280676.db2.gz RFTULDWOLCAYAN-CXAGYDPISA-N 1 0 302.418 2.358 20 10 DECDRO CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC000981197633 635358569 /nfs/dbraw/zinc/35/85/69/635358569.db2.gz ATZKEOGMXABGNZ-ZIAGYGMSSA-N 1 0 321.421 2.139 20 10 DECDRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(N(C)C)cc1 ZINC000922014112 635808519 /nfs/dbraw/zinc/80/85/19/635808519.db2.gz FXVYZNCFJNEJTJ-CYBMUJFWSA-N 1 0 300.406 2.330 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@]1(O)CCOC1 ZINC000922212910 636006952 /nfs/dbraw/zinc/00/69/52/636006952.db2.gz VOUKAMDHMYEPDA-GOSISDBHSA-N 1 0 305.418 2.279 20 10 DECDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340157 636138155 /nfs/dbraw/zinc/13/81/55/636138155.db2.gz KIVPQUTUXBIBEE-CQSZACIVSA-N 1 0 317.393 2.453 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)cc1C ZINC000922409212 636161238 /nfs/dbraw/zinc/16/12/38/636161238.db2.gz MDXKMQOIADHEHI-HOCLYGCPSA-N 1 0 316.405 2.298 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004244205 636253699 /nfs/dbraw/zinc/25/36/99/636253699.db2.gz ZZHAVMSHVQFEBQ-UHFFFAOYSA-N 1 0 317.393 2.452 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1O ZINC000894170575 636379813 /nfs/dbraw/zinc/37/98/13/636379813.db2.gz WFEMAALYOXGAMK-HNNXBMFYSA-N 1 0 313.401 2.455 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894173458 636385606 /nfs/dbraw/zinc/38/56/06/636385606.db2.gz ITAAKMKECCVTGU-NSHDSACASA-N 1 0 320.364 2.230 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207992 636435058 /nfs/dbraw/zinc/43/50/58/636435058.db2.gz CELCVDVORIJDLR-MFKMUULPSA-N 1 0 316.323 2.036 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1F ZINC000922972395 636891938 /nfs/dbraw/zinc/89/19/38/636891938.db2.gz IXLMMUZWUVQNAL-QGZVFWFLSA-N 1 0 320.412 2.229 20 10 DECDRO CC[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894589116 637119178 /nfs/dbraw/zinc/11/91/78/637119178.db2.gz YEZNICTWYISLTM-KBRIMQKVSA-N 1 0 318.465 2.453 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000925080593 637227316 /nfs/dbraw/zinc/22/73/16/637227316.db2.gz MOWCSRALNVLUFS-QGZVFWFLSA-N 1 0 304.434 2.489 20 10 DECDRO CCn1cc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000894940600 637341103 /nfs/dbraw/zinc/34/11/03/637341103.db2.gz UMVISIOHLHQEQT-AWEZNQCLSA-N 1 0 301.438 2.393 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1O ZINC000895001516 637364700 /nfs/dbraw/zinc/36/47/00/637364700.db2.gz SVBLJBQVJUJZQH-IBGZPJMESA-N 1 0 310.397 2.330 20 10 DECDRO COc1ccc(O)c(CNC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000838473793 637580686 /nfs/dbraw/zinc/58/06/86/637580686.db2.gz CBPOSEMUZUZSSV-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO CC[C@H](COC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143986 637805431 /nfs/dbraw/zinc/80/54/31/637805431.db2.gz DNVZSCADZXCRBW-CYBMUJFWSA-N 1 0 314.376 2.316 20 10 DECDRO COc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1C ZINC000895344737 637951117 /nfs/dbraw/zinc/95/11/17/637951117.db2.gz WPRJMSAABHIKEL-MRXNPFEDSA-N 1 0 317.433 2.383 20 10 DECDRO COc1ccc(C[NH2+]CC2CSC2)cc1Cn1cccn1 ZINC000895423642 638020032 /nfs/dbraw/zinc/02/00/32/638020032.db2.gz ADHWBAHNAZEBKP-UHFFFAOYSA-N 1 0 303.431 2.393 20 10 DECDRO COc1ccc(C[NH2+]CC2(O)CCC(C)CC2)c(O)c1OC ZINC000895479714 638047108 /nfs/dbraw/zinc/04/71/08/638047108.db2.gz UBYIPNKSKHXOPE-UHFFFAOYSA-N 1 0 309.406 2.440 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000840937005 650389209 /nfs/dbraw/zinc/38/92/09/650389209.db2.gz QKTLRDFBVRNZDN-UHFFFAOYSA-N 1 0 324.490 2.366 20 10 DECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C)CCOCC1 ZINC000840936531 650389226 /nfs/dbraw/zinc/38/92/26/650389226.db2.gz KESQZMHGXHRVDN-UHFFFAOYSA-N 1 0 320.433 2.263 20 10 DECDRO C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000895564444 638085160 /nfs/dbraw/zinc/08/51/60/638085160.db2.gz FXMPQMJFIRHOLG-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000840942949 650391812 /nfs/dbraw/zinc/39/18/12/650391812.db2.gz BOZSORUUPNVVES-RDJZCZTQSA-N 1 0 308.466 2.309 20 10 DECDRO CCS(=O)(=O)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000840974393 650397795 /nfs/dbraw/zinc/39/77/95/650397795.db2.gz IPKUKCLSQMOLNB-ALCCZGGFSA-N 1 0 310.463 2.180 20 10 DECDRO CNC(=O)NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000840974283 650398078 /nfs/dbraw/zinc/39/80/78/650398078.db2.gz DSPLFECREBEALC-UHFFFAOYSA-N 1 0 313.401 2.439 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000895750244 638179136 /nfs/dbraw/zinc/17/91/36/638179136.db2.gz YIYMKCQTKDTFGR-OLZOCXBDSA-N 1 0 315.797 2.074 20 10 DECDRO CCOc1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c(O)c1 ZINC000840977929 650398631 /nfs/dbraw/zinc/39/86/31/650398631.db2.gz YQIVLGAPAWGBLI-CQSZACIVSA-N 1 0 306.406 2.280 20 10 DECDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840978596 650398788 /nfs/dbraw/zinc/39/87/88/650398788.db2.gz ONUFSIWPYKASNB-ZBFHGGJFSA-N 1 0 322.424 2.255 20 10 DECDRO COc1cc(Br)cc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000841024195 650407517 /nfs/dbraw/zinc/40/75/17/650407517.db2.gz KOZXUJDNUODBLO-LDYMZIIASA-N 1 0 315.211 2.085 20 10 DECDRO CC(C)OC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895954819 638283559 /nfs/dbraw/zinc/28/35/59/638283559.db2.gz IDVQMIMTGADWFY-UHFFFAOYSA-N 1 0 303.450 2.048 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745827198 638293312 /nfs/dbraw/zinc/29/33/12/638293312.db2.gz DUSXYYKBSDDWOH-ZBFHGGJFSA-N 1 0 318.465 2.343 20 10 DECDRO CN(C)c1ncc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841041206 650411689 /nfs/dbraw/zinc/41/16/89/650411689.db2.gz BXFJLEJQXKNFFU-HNNXBMFYSA-N 1 0 319.478 2.065 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000841044922 650413727 /nfs/dbraw/zinc/41/37/27/650413727.db2.gz FYDYSLROCQONAR-MRXNPFEDSA-N 1 0 303.381 2.387 20 10 DECDRO Cc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(O)c1 ZINC000896247984 638429378 /nfs/dbraw/zinc/42/93/78/638429378.db2.gz AXLBLHOKHXVODB-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO CCN(CC)c1ccc(CNC[C@]2(COC)CCC[NH2+]2)cc1 ZINC000841065309 650420972 /nfs/dbraw/zinc/42/09/72/650420972.db2.gz APIJPURIHXPCKB-SFHVURJKSA-N 1 0 305.466 2.391 20 10 DECDRO Fc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000747939325 638492749 /nfs/dbraw/zinc/49/27/49/638492749.db2.gz YRDHSIRGOMCDOZ-UHFFFAOYSA-N 1 0 301.365 2.347 20 10 DECDRO C[S@](=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000751152790 639061995 /nfs/dbraw/zinc/06/19/95/639061995.db2.gz PBWKRCTXINISBD-QFIPXVFZSA-N 1 0 319.382 2.148 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000897256472 639288530 /nfs/dbraw/zinc/28/85/30/639288530.db2.gz BOPYNTNCODXTFG-OAHLLOKOSA-N 1 0 321.417 2.215 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H]3C[C@H]3C)CC2)cc1 ZINC000754131292 639392229 /nfs/dbraw/zinc/39/22/29/639392229.db2.gz VAXKKNVBLFPPTM-IAGOWNOFSA-N 1 0 317.477 2.453 20 10 DECDRO COc1cc(N2CC[NH+](C[C@H]3C[C@@H]3C)CC2)cc(OC)c1OC ZINC000754151451 639394522 /nfs/dbraw/zinc/39/45/22/639394522.db2.gz ZLDTVAKYOVYAOU-UONOGXRCSA-N 1 0 320.433 2.490 20 10 DECDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000755196532 639528937 /nfs/dbraw/zinc/52/89/37/639528937.db2.gz WJEJHBNNCCARJO-UHFFFAOYSA-N 1 0 310.413 2.425 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)[C@H]2C)cc1C ZINC000985859715 639667379 /nfs/dbraw/zinc/66/73/79/639667379.db2.gz LNVKAOSPYWLQAB-AAEUAGOBSA-N 1 0 312.360 2.348 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCOC[C@H]2C)c2c1c(F)ccc2O ZINC000756536845 639670401 /nfs/dbraw/zinc/67/04/01/639670401.db2.gz VZJQQAISWNVENH-YRGRVCCFSA-N 1 0 308.397 2.390 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756537797 639670542 /nfs/dbraw/zinc/67/05/42/639670542.db2.gz ZWARAXXGJAPANW-ONGXEEELSA-N 1 0 301.383 2.104 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)c2c1c(F)ccc2O ZINC000756641821 639681258 /nfs/dbraw/zinc/68/12/58/639681258.db2.gz YLUXRAKTJSWGBG-RNCFNFMXSA-N 1 0 315.348 2.363 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000839665562 639784972 /nfs/dbraw/zinc/78/49/72/639784972.db2.gz ICGNQKYOUJBRBK-MJGOQNOKSA-N 1 0 318.461 2.160 20 10 DECDRO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(Br)cc1O ZINC000757653727 639864247 /nfs/dbraw/zinc/86/42/47/639864247.db2.gz BMKSFHQYLPXVHK-MRVPVSSYSA-N 1 0 311.183 2.134 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(OC3CCC3)CC1)[C@H](O)CO2 ZINC000841685047 650539314 /nfs/dbraw/zinc/53/93/14/650539314.db2.gz DGENQHTTXWTKQF-QGZVFWFLSA-N 1 0 319.401 2.352 20 10 DECDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729050108 640000669 /nfs/dbraw/zinc/00/06/69/640000669.db2.gz WHKOEWPQOJYSLB-OLZOCXBDSA-N 1 0 323.437 2.491 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000841719645 650551485 /nfs/dbraw/zinc/55/14/85/650551485.db2.gz MTPVEZJJYQKWDH-MRXNPFEDSA-N 1 0 304.438 2.069 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCc1ccccc1 ZINC000321358213 640102626 /nfs/dbraw/zinc/10/26/26/640102626.db2.gz KLAFGVWXGLOIMP-UHFFFAOYSA-N 1 0 309.413 2.214 20 10 DECDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709139 650546873 /nfs/dbraw/zinc/54/68/73/650546873.db2.gz CPVREFPYDMCQQP-MRXNPFEDSA-N 1 0 304.438 2.069 20 10 DECDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710481 650547013 /nfs/dbraw/zinc/54/70/13/650547013.db2.gz WNBIFTHDQJIBPT-LSDHHAIUSA-N 1 0 316.449 2.179 20 10 DECDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761211 650558492 /nfs/dbraw/zinc/55/84/92/650558492.db2.gz NYQLTXOFELOXHC-OAHLLOKOSA-N 1 0 324.444 2.407 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000841757828 650558050 /nfs/dbraw/zinc/55/80/50/650558050.db2.gz AZEUNOOSUCMIOX-XJKSGUPXSA-N 1 0 316.449 2.009 20 10 DECDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000987583962 640228685 /nfs/dbraw/zinc/22/86/85/640228685.db2.gz HMIOTBLZDPXROS-ZWNOBZJWSA-N 1 0 303.366 2.062 20 10 DECDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793402 650565318 /nfs/dbraw/zinc/56/53/18/650565318.db2.gz KCQQJHLHLWALDT-CABCVRRESA-N 1 0 318.465 2.458 20 10 DECDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841794471 650565482 /nfs/dbraw/zinc/56/54/82/650565482.db2.gz YEJKLHLZSKJYMU-AWEZNQCLSA-N 1 0 304.438 2.069 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1(O)CCC1 ZINC000761220182 640286753 /nfs/dbraw/zinc/28/67/53/640286753.db2.gz VPWRQSYEJIIHIH-UHFFFAOYSA-N 1 0 308.397 2.009 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000841824149 650570895 /nfs/dbraw/zinc/57/08/95/650570895.db2.gz LJXQWXYOQZGYKW-CQSZACIVSA-N 1 0 306.454 2.378 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000841824392 650571014 /nfs/dbraw/zinc/57/10/14/650571014.db2.gz NSPUMOKUYWLAAH-INIZCTEOSA-N 1 0 318.465 2.392 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1N ZINC000841847062 650577786 /nfs/dbraw/zinc/57/77/86/650577786.db2.gz XLUOLOFSWPQVOT-KRWDZBQOSA-N 1 0 312.417 2.073 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N(C)C)cc1 ZINC000841882002 650592206 /nfs/dbraw/zinc/59/22/06/650592206.db2.gz GHOOMWMWEVPMJW-BMFZPTHFSA-N 1 0 316.449 2.350 20 10 DECDRO CCn1nncc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841887101 650593627 /nfs/dbraw/zinc/59/36/27/650593627.db2.gz FEHOAXBGKUDVGJ-AWEZNQCLSA-N 1 0 301.438 2.393 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841893462 650595268 /nfs/dbraw/zinc/59/52/68/650595268.db2.gz FKQPMEDNJVFFJQ-NSHDSACASA-N 1 0 320.767 2.483 20 10 DECDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000841892204 650595387 /nfs/dbraw/zinc/59/53/87/650595387.db2.gz VBQIXCQXDUAGKJ-SDKBWNRFSA-N 1 0 317.477 2.153 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841893277 650595752 /nfs/dbraw/zinc/59/57/52/650595752.db2.gz CHTXPDJLKNQQME-GFCCVEGCSA-N 1 0 300.349 2.220 20 10 DECDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[NH3+])cc2Cl)C1 ZINC000841895432 650596579 /nfs/dbraw/zinc/59/65/79/650596579.db2.gz CHVOBVLGFBEDAW-GFCCVEGCSA-N 1 0 324.856 2.334 20 10 DECDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000765332340 640766506 /nfs/dbraw/zinc/76/65/06/640766506.db2.gz WJAUTHVMLBANQR-RLFYNMQTSA-N 1 0 303.450 2.124 20 10 DECDRO CN(C)c1ccc(CN(C(=O)N[C@@H](C[NH3+])C2CC2)C2CC2)cc1 ZINC000841946101 650608965 /nfs/dbraw/zinc/60/89/65/650608965.db2.gz GCBOHDRYEOXQCQ-KRWDZBQOSA-N 1 0 316.449 2.164 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC000765978056 640835061 /nfs/dbraw/zinc/83/50/61/640835061.db2.gz CCUGAMAFMZMBHX-CQSZACIVSA-N 1 0 324.490 2.446 20 10 DECDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958638 650612710 /nfs/dbraw/zinc/61/27/10/650612710.db2.gz GWDFRZOKCKCRKI-AWEZNQCLSA-N 1 0 318.465 2.183 20 10 DECDRO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]2C1 ZINC000897617798 640869150 /nfs/dbraw/zinc/86/91/50/640869150.db2.gz CRSYKLVDDLAPFS-GASCZTMLSA-N 1 0 317.410 2.022 20 10 DECDRO C[C@H](C[NH3+])CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841963937 650614279 /nfs/dbraw/zinc/61/42/79/650614279.db2.gz XTGKBMYIWCMLFS-CYBMUJFWSA-N 1 0 317.389 2.292 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000841966484 650615303 /nfs/dbraw/zinc/61/53/03/650615303.db2.gz UQJIDMZGXFISBS-KRWDZBQOSA-N 1 0 318.465 2.412 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NCC2([NH3+])CCC2)C2CC2)cc1 ZINC000841967591 650615415 /nfs/dbraw/zinc/61/54/15/650615415.db2.gz WARAODMONQSYOM-UHFFFAOYSA-N 1 0 316.449 2.308 20 10 DECDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766500352 640888751 /nfs/dbraw/zinc/88/87/51/640888751.db2.gz KHYGDNQIOPSBLL-CZUORRHYSA-N 1 0 310.413 2.330 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841987124 650620101 /nfs/dbraw/zinc/62/01/01/650620101.db2.gz YDRIEGIPOQMSCD-GFCCVEGCSA-N 1 0 305.422 2.068 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841988408 650620232 /nfs/dbraw/zinc/62/02/32/650620232.db2.gz QZHWMOWFDLEYGW-GDBMZVCRSA-N 1 0 318.465 2.425 20 10 DECDRO COc1cc(O)c(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1OC ZINC000897779157 640930147 /nfs/dbraw/zinc/93/01/47/640930147.db2.gz NDQOWBYBSAKEKB-BLQFLSLASA-N 1 0 307.390 2.457 20 10 DECDRO C[NH2+]C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897896045 640967125 /nfs/dbraw/zinc/96/71/25/640967125.db2.gz KOKFCXDDNNVXII-UHFFFAOYSA-N 1 0 306.387 2.184 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@]13C[C@H]1COC31CCC1)OCO2 ZINC000898066111 641014455 /nfs/dbraw/zinc/01/44/55/641014455.db2.gz VIKFUQIRZOUACK-BLLLJJGKSA-N 1 0 303.358 2.170 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898205618 641046500 /nfs/dbraw/zinc/04/65/00/641046500.db2.gz GGTXACKTXKACKO-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO COc1cc(Br)cc(C[N@H+](CCO)C(C)C)c1O ZINC000768173784 641056463 /nfs/dbraw/zinc/05/64/63/641056463.db2.gz FSAWWXPPECNJMB-UHFFFAOYSA-N 1 0 318.211 2.366 20 10 DECDRO COc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768438622 641080726 /nfs/dbraw/zinc/08/07/26/641080726.db2.gz VYYWXDLDKQRBHG-KRWDZBQOSA-N 1 0 315.369 2.459 20 10 DECDRO COCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1 ZINC000768445628 641082264 /nfs/dbraw/zinc/08/22/64/641082264.db2.gz RUIDBBVMFXKQBA-MRXNPFEDSA-N 1 0 307.390 2.209 20 10 DECDRO CC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769381412 641229723 /nfs/dbraw/zinc/22/97/23/641229723.db2.gz OFJRHPHKDXRGAR-OAHLLOKOSA-N 1 0 321.440 2.188 20 10 DECDRO COc1c(O)cccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046124 641476977 /nfs/dbraw/zinc/47/69/77/641476977.db2.gz WQUOQJYTCMAETK-MRXNPFEDSA-N 1 0 315.417 2.256 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000842212012 650670820 /nfs/dbraw/zinc/67/08/20/650670820.db2.gz ITPJMKOZGVKOHW-HDAKTPJGSA-N 1 0 315.461 2.219 20 10 DECDRO C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1O ZINC000924673448 641571961 /nfs/dbraw/zinc/57/19/61/641571961.db2.gz JEGUAUNIGDPLRG-GFCCVEGCSA-N 1 0 314.389 2.414 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2COCC2(C)C)N(C)C)cc1 ZINC000898449581 641660752 /nfs/dbraw/zinc/66/07/52/641660752.db2.gz HVSKVHYVDISEDB-DLBZAZTESA-N 1 0 305.466 2.370 20 10 DECDRO CCn1nccc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449679 641661979 /nfs/dbraw/zinc/66/19/79/641661979.db2.gz IZFAAYDIYWXBPH-GOSISDBHSA-N 1 0 315.465 2.362 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@@H](C)[S@@](C)=O)CC2)cc1 ZINC000773062443 641723299 /nfs/dbraw/zinc/72/32/99/641723299.db2.gz CUFUNQKPRYNLSR-JLCFBVMHSA-N 1 0 324.490 2.411 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000773734288 641817092 /nfs/dbraw/zinc/81/70/92/641817092.db2.gz OROOMYMOIQGPOY-IBGZPJMESA-N 1 0 317.477 2.439 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c1 ZINC000775203871 642015711 /nfs/dbraw/zinc/01/57/11/642015711.db2.gz JHKQNCVBXMWPTH-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000775410367 642040070 /nfs/dbraw/zinc/04/00/70/642040070.db2.gz KOPBVDCQXBKYCO-XJKSGUPXSA-N 1 0 321.490 2.367 20 10 DECDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000775838324 642103828 /nfs/dbraw/zinc/10/38/28/642103828.db2.gz XBQJJNMWNQTIDO-GFCCVEGCSA-N 1 0 302.378 2.338 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)o1 ZINC000776175211 642138870 /nfs/dbraw/zinc/13/88/70/642138870.db2.gz MURUWOHNPNCKCT-UHFFFAOYSA-N 1 0 305.330 2.460 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@](C)(CO)c2ccccc2)cc1OC ZINC000776175802 642138978 /nfs/dbraw/zinc/13/89/78/642138978.db2.gz SGCZZNNEHCLMMW-SFHVURJKSA-N 1 0 317.385 2.407 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCNC(=O)N(C)C)cc1 ZINC000779431901 642499122 /nfs/dbraw/zinc/49/91/22/642499122.db2.gz HGIAMCBVMNKVBC-UHFFFAOYSA-N 1 0 306.454 2.236 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2F)CC1 ZINC000783600864 643026298 /nfs/dbraw/zinc/02/62/98/643026298.db2.gz PSVCYOJDBXODKR-AWEZNQCLSA-N 1 0 322.424 2.303 20 10 DECDRO COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000902482109 643057004 /nfs/dbraw/zinc/05/70/04/643057004.db2.gz JFNCQIAJKAWRSL-TZMCWYRMSA-N 1 0 306.406 2.362 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000902643108 643089819 /nfs/dbraw/zinc/08/98/19/643089819.db2.gz KIKCNOXCULQHBB-SJORKVTESA-N 1 0 304.434 2.040 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903024064 643229162 /nfs/dbraw/zinc/22/91/62/643229162.db2.gz KDWGEOPZLRDRIY-KBPBESRZSA-N 1 0 301.438 2.471 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cn(C)nn3)C2)cc1 ZINC000903026661 643230395 /nfs/dbraw/zinc/23/03/95/643230395.db2.gz RDZCZLSGOHGFDD-UONOGXRCSA-N 1 0 315.421 2.001 20 10 DECDRO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(N2CCOCC2)cc1 ZINC000785780881 643281067 /nfs/dbraw/zinc/28/10/67/643281067.db2.gz KFYMJWAHYYNPON-CQSZACIVSA-N 1 0 312.417 2.351 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000903348278 643322349 /nfs/dbraw/zinc/32/23/49/643322349.db2.gz YPZZFPYZQNWDRI-ZDUSSCGKSA-N 1 0 321.417 2.373 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000786165797 643334259 /nfs/dbraw/zinc/33/42/59/643334259.db2.gz YYIVJZAOFLNXOK-OAHLLOKOSA-N 1 0 301.386 2.402 20 10 DECDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000903400760 643345104 /nfs/dbraw/zinc/34/51/04/643345104.db2.gz WJLIWBHACVDIEF-WWGRRREGSA-N 1 0 308.397 2.348 20 10 DECDRO COC(=O)COc1ccc(N(C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903914592 643497147 /nfs/dbraw/zinc/49/71/47/643497147.db2.gz JMIRNVHNDPJGBA-GOOCMWNKSA-N 1 0 318.417 2.205 20 10 DECDRO [NH3+][C@H](CC(F)F)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000903905479 643503352 /nfs/dbraw/zinc/50/33/52/643503352.db2.gz GTZGMJAIATUQMA-KGLIPLIRSA-N 1 0 314.376 2.356 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)c2c1c(F)ccc2O ZINC000842899974 650848034 /nfs/dbraw/zinc/84/80/34/650848034.db2.gz CVIROGVPNHHPML-CMPLNLGQSA-N 1 0 304.369 2.431 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]Cc2cccn(CC)c2=O)c1 ZINC000788524763 643620424 /nfs/dbraw/zinc/62/04/24/643620424.db2.gz UBOLRMPAMZZFOI-UHFFFAOYSA-N 1 0 302.374 2.262 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@H](O)CCC3(O)CCC3)ccc21 ZINC000905077329 643776497 /nfs/dbraw/zinc/77/64/97/643776497.db2.gz XINFBRQAVKEDMT-QGZVFWFLSA-N 1 0 318.461 2.215 20 10 DECDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000905133940 643807371 /nfs/dbraw/zinc/80/73/71/643807371.db2.gz MRWLLIWPMYZAAL-SFHVURJKSA-N 1 0 316.445 2.209 20 10 DECDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000790455927 643855189 /nfs/dbraw/zinc/85/51/89/643855189.db2.gz RBYRMGPCVVVFLT-AWEZNQCLSA-N 1 0 311.385 2.137 20 10 DECDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000790616318 643872715 /nfs/dbraw/zinc/87/27/15/643872715.db2.gz VSVIGDQDRXGHKO-CYBMUJFWSA-N 1 0 306.406 2.482 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000843049554 650877212 /nfs/dbraw/zinc/87/72/12/650877212.db2.gz PRVBGAOOLJXDRS-OAHLLOKOSA-N 1 0 318.421 2.379 20 10 DECDRO Oc1cc2c(cc1CN1CC[NH2+]CC13CCCCC3)OCO2 ZINC000843054644 650879519 /nfs/dbraw/zinc/87/95/19/650879519.db2.gz YXVMMPQZKDKBTP-UHFFFAOYSA-N 1 0 304.390 2.229 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000843058118 650879950 /nfs/dbraw/zinc/87/99/50/650879950.db2.gz PSKFJIDHESSPEE-QAPCUYQASA-N 1 0 303.450 2.225 20 10 DECDRO CO[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1OC ZINC000792713622 644141773 /nfs/dbraw/zinc/14/17/73/644141773.db2.gz MDAPIKCVUJXKAH-GASCZTMLSA-N 1 0 309.406 2.241 20 10 DECDRO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792842603 644159496 /nfs/dbraw/zinc/15/94/96/644159496.db2.gz UBOXITRYDADMAU-CHWSQXEVSA-N 1 0 313.367 2.423 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCCO2)c(C(F)(F)F)c1 ZINC000792921709 644169249 /nfs/dbraw/zinc/16/92/49/644169249.db2.gz JUEUYGWRAIZESG-ZDUSSCGKSA-N 1 0 318.339 2.276 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)N(C)C ZINC000793048175 644184813 /nfs/dbraw/zinc/18/48/13/644184813.db2.gz QIUORWGIUKXYDJ-SNVBAGLBSA-N 1 0 317.355 2.338 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(OC)cc1O ZINC000793094237 644190087 /nfs/dbraw/zinc/19/00/87/644190087.db2.gz UNKLKMFFTGRNHT-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000793591016 644277149 /nfs/dbraw/zinc/27/71/49/644277149.db2.gz QKJRSBKOOFZQJA-IAGOWNOFSA-N 1 0 319.493 2.420 20 10 DECDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c(O)c1 ZINC000794378332 644405380 /nfs/dbraw/zinc/40/53/80/644405380.db2.gz VAEJNJZWEGPPRC-ZDUSSCGKSA-N 1 0 306.406 2.282 20 10 DECDRO CC(C)(C(=O)NCCc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000907058510 644432659 /nfs/dbraw/zinc/43/26/59/644432659.db2.gz YTIVLQYZTGMMAC-UHFFFAOYSA-N 1 0 306.406 2.021 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704803 644462253 /nfs/dbraw/zinc/46/22/53/644462253.db2.gz NSNBLSIWJSCWEA-ACJLOTCBSA-N 1 0 303.402 2.261 20 10 DECDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000907276043 644489074 /nfs/dbraw/zinc/48/90/74/644489074.db2.gz YTXQDMXYVJGBGZ-HIFRSBDPSA-N 1 0 320.433 2.267 20 10 DECDRO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC1CCC1 ZINC000796533299 644748963 /nfs/dbraw/zinc/74/89/63/644748963.db2.gz KIJCEQFKBNNJNC-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCO2 ZINC000841086262 644997546 /nfs/dbraw/zinc/99/75/46/644997546.db2.gz GSQASHFSARADGO-TZMCWYRMSA-N 1 0 304.390 2.085 20 10 DECDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCN(C)C1 ZINC000843421720 650971102 /nfs/dbraw/zinc/97/11/02/650971102.db2.gz GPAOEZNZNGKXNF-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421036 650971712 /nfs/dbraw/zinc/97/17/12/650971712.db2.gz UHCNTOJDJHFTJY-AEFFLSMTSA-N 1 0 302.418 2.134 20 10 DECDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC1CCCC1 ZINC000798503730 645027817 /nfs/dbraw/zinc/02/78/17/645027817.db2.gz MQHDAVYNUNDIDT-ZDUSSCGKSA-N 1 0 307.390 2.399 20 10 DECDRO CON(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000799114234 645126845 /nfs/dbraw/zinc/12/68/45/645126845.db2.gz WBWPNTFUQPMVLU-UHFFFAOYSA-N 1 0 305.422 2.127 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000911782425 645821881 /nfs/dbraw/zinc/82/18/81/645821881.db2.gz IYWGVLIHZJQOCG-PVAVHDDUSA-N 1 0 301.434 2.238 20 10 DECDRO CCOc1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c(O)c1 ZINC000809737854 646271962 /nfs/dbraw/zinc/27/19/62/646271962.db2.gz NAAZGPCZXNKQFU-QGZVFWFLSA-N 1 0 322.449 2.334 20 10 DECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000840185962 646289879 /nfs/dbraw/zinc/28/98/79/646289879.db2.gz VHTCKGHRMVMGJN-QGZVFWFLSA-N 1 0 307.390 2.484 20 10 DECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000811979000 646598466 /nfs/dbraw/zinc/59/84/66/646598466.db2.gz PSRQKUXZFWXTIT-ZDUSSCGKSA-N 1 0 323.437 2.320 20 10 DECDRO COCCOC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000812834922 646702970 /nfs/dbraw/zinc/70/29/70/646702970.db2.gz HZVVOHWWODVROZ-HNNXBMFYSA-N 1 0 322.449 2.305 20 10 DECDRO CC(C)[NH+]1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000174440135 646810996 /nfs/dbraw/zinc/81/09/96/646810996.db2.gz NTKWKNNZUGWOAO-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1N(C)C ZINC000815037898 646958418 /nfs/dbraw/zinc/95/84/18/646958418.db2.gz YUOPLAZQXIKCSY-RTBURBONSA-N 1 0 317.477 2.092 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000815094433 646967631 /nfs/dbraw/zinc/96/76/31/646967631.db2.gz AUMXKCIHIXOOBB-HZPDHXFCSA-N 1 0 305.466 2.030 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)[C@@H]1n1cccn1 ZINC000815166590 646982895 /nfs/dbraw/zinc/98/28/95/646982895.db2.gz HKWVLJAOOLMOPG-OIISXLGYSA-N 1 0 301.390 2.405 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)n2)c2c1c(F)ccc2O ZINC000815639972 647037598 /nfs/dbraw/zinc/03/75/98/647037598.db2.gz MIBUZXHWMZCBQE-GXFFZTMASA-N 1 0 304.369 2.431 20 10 DECDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2c(O)cccc2F)C1 ZINC000914075678 647145887 /nfs/dbraw/zinc/14/58/87/647145887.db2.gz FJDYCVUVZQTYEM-LBPRGKRZSA-N 1 0 309.385 2.062 20 10 DECDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]2CO1 ZINC000816598694 647157265 /nfs/dbraw/zinc/15/72/65/647157265.db2.gz MLEWUXJJYCNRPD-ZBFHGGJFSA-N 1 0 312.369 2.476 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816666644 647165436 /nfs/dbraw/zinc/16/54/36/647165436.db2.gz SIUZAKHCJFUIKI-QZTJIDSGSA-N 1 0 321.417 2.201 20 10 DECDRO O=C(NCc1ccccc1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000816912179 647196528 /nfs/dbraw/zinc/19/65/28/647196528.db2.gz NKQNJLLYMGIMSS-HNNXBMFYSA-N 1 0 320.458 2.226 20 10 DECDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889380 647371492 /nfs/dbraw/zinc/37/14/92/647371492.db2.gz UFABPXVTKUBPAQ-IAGOWNOFSA-N 1 0 321.440 2.412 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000817957628 647392437 /nfs/dbraw/zinc/39/24/37/647392437.db2.gz NGJNYPOGHYLVAO-OLZOCXBDSA-N 1 0 306.406 2.219 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966322 647395882 /nfs/dbraw/zinc/39/58/82/647395882.db2.gz LJOJJAZHYAEPFG-SJCJKPOMSA-N 1 0 306.406 2.219 20 10 DECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817973224 647397984 /nfs/dbraw/zinc/39/79/84/647397984.db2.gz RBYAASRYGQLBBU-KGLIPLIRSA-N 1 0 309.429 2.311 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(C)nn3)C2)cc1 ZINC000818219184 647434577 /nfs/dbraw/zinc/43/45/77/647434577.db2.gz ABOZARQIGISTSF-HNNXBMFYSA-N 1 0 312.417 2.410 20 10 DECDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997105 647561517 /nfs/dbraw/zinc/56/15/17/647561517.db2.gz RPPJAUPNOFPFEU-MRXNPFEDSA-N 1 0 314.341 2.353 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1F ZINC000819043383 647570923 /nfs/dbraw/zinc/57/09/23/647570923.db2.gz RKRBZPQMAHKOCG-HNNXBMFYSA-N 1 0 320.412 2.019 20 10 DECDRO C[C@](O)(C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819095860 647582032 /nfs/dbraw/zinc/58/20/32/647582032.db2.gz VMOLAVRCASKAKK-AWEZNQCLSA-N 1 0 300.324 2.466 20 10 DECDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC000820240330 647810982 /nfs/dbraw/zinc/81/09/82/647810982.db2.gz GDOVAJGJJGRNDV-FZMZJTMJSA-N 1 0 317.393 2.404 20 10 DECDRO CC[NH+]1CCC(CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000916032183 647831487 /nfs/dbraw/zinc/83/14/87/647831487.db2.gz KOFCEAZYSHEFJX-UHFFFAOYSA-N 1 0 309.385 2.062 20 10 DECDRO CCCC(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000917448909 648002817 /nfs/dbraw/zinc/00/28/17/648002817.db2.gz KHCCWIOGQTXCSK-UHFFFAOYSA-N 1 0 320.389 2.002 20 10 DECDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000154986284 648154142 /nfs/dbraw/zinc/15/41/42/648154142.db2.gz JWPINHZJMBHQBF-INIZCTEOSA-N 1 0 301.434 2.374 20 10 DECDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1O ZINC000822530340 648226241 /nfs/dbraw/zinc/22/62/41/648226241.db2.gz YCZNMSROOGDLPA-UHFFFAOYSA-N 1 0 323.824 2.344 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000840479650 648425050 /nfs/dbraw/zinc/42/50/50/648425050.db2.gz QGFKWAOWSCQPSE-OAHLLOKOSA-N 1 0 320.481 2.195 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(N3CCNC3=O)CC2)cc1Cl ZINC000824474230 648594152 /nfs/dbraw/zinc/59/41/52/648594152.db2.gz KUYRFMPJENMVHO-UHFFFAOYSA-N 1 0 323.824 2.344 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824576039 648614427 /nfs/dbraw/zinc/61/44/27/648614427.db2.gz YBIPHYOIKGQFCS-SNVBAGLBSA-N 1 0 314.179 2.150 20 10 DECDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824850972 648662113 /nfs/dbraw/zinc/66/21/13/648662113.db2.gz QTEAVXSXMMFYDZ-NSHDSACASA-N 1 0 317.838 2.221 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000824943017 648675837 /nfs/dbraw/zinc/67/58/37/648675837.db2.gz GHWRUULBRUZUCG-NOZJJQNGSA-N 1 0 300.196 2.357 20 10 DECDRO COc1cc(O)c(C[NH2+]C(C)(C)CN2CCCC2)cc1OC ZINC000825325571 648742347 /nfs/dbraw/zinc/74/23/47/648742347.db2.gz FKKWDDNSNUTLPB-UHFFFAOYSA-N 1 0 308.422 2.373 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]2COC[C@@H]21 ZINC000825331493 648742773 /nfs/dbraw/zinc/74/27/73/648742773.db2.gz IAODIIRMOGABJS-ZWKOTPCHSA-N 1 0 316.445 2.380 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)[C@H]1CO ZINC000825634224 648791221 /nfs/dbraw/zinc/79/12/21/648791221.db2.gz JXNLKZJEJRIYAY-CABZTGNLSA-N 1 0 300.196 2.357 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000826020824 648839898 /nfs/dbraw/zinc/83/98/98/648839898.db2.gz XKGMGSCQYFHRIM-AWEZNQCLSA-N 1 0 313.392 2.474 20 10 DECDRO CC(C)(O)C1C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000826112832 648851696 /nfs/dbraw/zinc/85/16/96/648851696.db2.gz FFWATLPXKGUFTD-UHFFFAOYSA-N 1 0 300.196 2.357 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1Cl ZINC000827001710 648958833 /nfs/dbraw/zinc/95/88/33/648958833.db2.gz XTTXLRCSTAYWAF-LBPRGKRZSA-N 1 0 310.781 2.381 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC000827596405 649055860 /nfs/dbraw/zinc/05/58/60/649055860.db2.gz XHXQROVFCRJKIZ-QGZVFWFLSA-N 1 0 309.406 2.058 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827700834 649070802 /nfs/dbraw/zinc/07/08/02/649070802.db2.gz XWLSVLDAXJQSQI-IBGZPJMESA-N 1 0 317.477 2.092 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000828666558 649207773 /nfs/dbraw/zinc/20/77/73/649207773.db2.gz GCUGICKLXFJYQZ-MLGOLLRUSA-N 1 0 314.385 2.148 20 10 DECDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000831212180 649554190 /nfs/dbraw/zinc/55/41/90/649554190.db2.gz MDPXJANKXWXEHR-RYUDHWBXSA-N 1 0 305.422 2.196 20 10 DECDRO CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748446 649638038 /nfs/dbraw/zinc/63/80/38/649638038.db2.gz CDVTYKOKLCNSBK-LSDHHAIUSA-N 1 0 319.449 2.026 20 10 DECDRO COc1csc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832267661 649690896 /nfs/dbraw/zinc/69/08/96/649690896.db2.gz YNNPLIKHKYULER-CQSZACIVSA-N 1 0 319.430 2.253 20 10 DECDRO CC(C)c1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000832279844 649691865 /nfs/dbraw/zinc/69/18/65/649691865.db2.gz LICBGERERCXIPK-CQSZACIVSA-N 1 0 316.405 2.294 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnc(C3CC3)c2)cc1 ZINC000832284800 649692391 /nfs/dbraw/zinc/69/23/91/649692391.db2.gz MPWWXQZARLDJPH-KRWDZBQOSA-N 1 0 324.428 2.455 20 10 DECDRO CC[N@H+](CC(=O)N(C)CCN(C)c1ccc(OC)cc1)C1CC1 ZINC000844853670 651176306 /nfs/dbraw/zinc/17/63/06/651176306.db2.gz AMNHZYWEXRSYMD-UHFFFAOYSA-N 1 0 319.449 2.074 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000844887419 651179738 /nfs/dbraw/zinc/17/97/38/651179738.db2.gz VMRJDAJXPLGBNZ-UONOGXRCSA-N 1 0 323.824 2.472 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@]2(O)CCCOC2)cc1 ZINC000846106968 651308171 /nfs/dbraw/zinc/30/81/71/651308171.db2.gz MPNWSVOSSWEAPQ-YZTRRJNXSA-N 1 0 304.434 2.287 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)c1O ZINC000846140562 651310442 /nfs/dbraw/zinc/31/04/42/651310442.db2.gz APFVJJSCLOQVOI-ZDUSSCGKSA-N 1 0 306.406 2.454 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000846142844 651310709 /nfs/dbraw/zinc/31/07/09/651310709.db2.gz DBHIOQNPCMCAPK-UHFFFAOYSA-N 1 0 318.465 2.250 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)c1O ZINC000846153119 651311367 /nfs/dbraw/zinc/31/13/67/651311367.db2.gz FFAZRCUHKSREOA-GFCCVEGCSA-N 1 0 306.406 2.358 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000846697094 651346777 /nfs/dbraw/zinc/34/67/77/651346777.db2.gz JZDMDFKABPUAQC-HNNXBMFYSA-N 1 0 319.449 2.122 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352795 651453973 /nfs/dbraw/zinc/45/39/73/651453973.db2.gz UJCJLMYSGWNXAD-UEDYQVLESA-N 1 0 316.401 2.244 20 10 DECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000848514718 651465561 /nfs/dbraw/zinc/46/55/61/651465561.db2.gz PILKFQVGCTTZPT-SFYZADRCSA-N 1 0 304.184 2.195 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848561782 651470874 /nfs/dbraw/zinc/47/08/74/651470874.db2.gz BYUJOGKUKXJGBB-QWHCGFSZSA-N 1 0 300.406 2.346 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562033 651470880 /nfs/dbraw/zinc/47/08/80/651470880.db2.gz FTKBWSSSWXVVNJ-SOUVJXGZSA-N 1 0 304.434 2.209 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848561781 651471097 /nfs/dbraw/zinc/47/10/97/651471097.db2.gz BYUJOGKUKXJGBB-OLZOCXBDSA-N 1 0 300.406 2.346 20 10 DECDRO C[NH+]1CCC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000854498555 651489523 /nfs/dbraw/zinc/48/95/23/651489523.db2.gz SKJZEZFNOYAJHF-HWKANZROSA-N 1 0 316.401 2.055 20 10 DECDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000848896649 651550236 /nfs/dbraw/zinc/55/02/36/651550236.db2.gz FXBMQFWISRVPTA-LSDHHAIUSA-N 1 0 311.447 2.400 20 10 DECDRO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)NC1CCC1 ZINC000848993613 651573993 /nfs/dbraw/zinc/57/39/93/651573993.db2.gz SVYKBVITUAHVOB-UHFFFAOYSA-N 1 0 304.463 2.406 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000854949467 651596208 /nfs/dbraw/zinc/59/62/08/651596208.db2.gz VXMLYABLYVMHCS-CQSZACIVSA-N 1 0 303.450 2.202 20 10 DECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850099578 651827201 /nfs/dbraw/zinc/82/72/01/651827201.db2.gz OZQAHRCOKMRORW-UHOFOFEASA-N 1 0 302.418 2.356 20 10 DECDRO CCC[N@H+](C)CC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856281713 651887009 /nfs/dbraw/zinc/88/70/09/651887009.db2.gz IIRJGSYLFSELSD-CLFYSBASSA-N 1 0 306.406 2.348 20 10 DECDRO COc1cc(C[NH2+]C[C@@](C)(CO)OC)c(O)c(C(C)(C)C)c1 ZINC000850338443 651903260 /nfs/dbraw/zinc/90/32/60/651903260.db2.gz HSNBCSYHYHUKRY-KRWDZBQOSA-N 1 0 311.422 2.185 20 10 DECDRO CO[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000850344018 651903966 /nfs/dbraw/zinc/90/39/66/651903966.db2.gz ZZNFUSQLZUZWJR-IMBPEULASA-N 1 0 304.434 2.407 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000850345043 651905033 /nfs/dbraw/zinc/90/50/33/651905033.db2.gz HFWJJAKPNLUAKX-UHFFFAOYSA-N 1 0 313.279 2.499 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)nn(C)c3C)C2)cc1 ZINC000850345453 651905107 /nfs/dbraw/zinc/90/51/07/651905107.db2.gz APXBLBVLFBLKDX-OAHLLOKOSA-N 1 0 314.433 2.414 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)cnn3C)C2)cc1 ZINC000850347639 651905834 /nfs/dbraw/zinc/90/58/34/651905834.db2.gz VEEOSVJLLUAAHS-AWEZNQCLSA-N 1 0 300.406 2.106 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)cc1 ZINC000850347672 651906043 /nfs/dbraw/zinc/90/60/43/651906043.db2.gz VSWUCRKOMQWZAA-AWEZNQCLSA-N 1 0 312.417 2.206 20 10 DECDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccccc3O)CC2=O)cc1 ZINC000850359862 651910593 /nfs/dbraw/zinc/91/05/93/651910593.db2.gz UQMVWURRJQDUBU-AWEZNQCLSA-N 1 0 312.369 2.296 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)CC1 ZINC000850406752 651923149 /nfs/dbraw/zinc/92/31/49/651923149.db2.gz SAEIILKERYXOIR-MRXNPFEDSA-N 1 0 304.434 2.164 20 10 DECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567864 651953636 /nfs/dbraw/zinc/95/36/36/651953636.db2.gz LBCWWBYLWDKUBF-KSSFIOAISA-N 1 0 304.434 2.162 20 10 DECDRO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccccc1O ZINC000850560479 651953870 /nfs/dbraw/zinc/95/38/70/651953870.db2.gz FJLFRWFYKGEYJG-KBPBESRZSA-N 1 0 303.406 2.333 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000115855707 652254061 /nfs/dbraw/zinc/25/40/61/652254061.db2.gz PYPUOKBPXXTMJW-KRWDZBQOSA-N 1 0 318.465 2.297 20 10 DECDRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000851840877 652256381 /nfs/dbraw/zinc/25/63/81/652256381.db2.gz KMWCWLOQWLVMOB-CQSZACIVSA-N 1 0 317.322 2.409 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCOC[C@@H]2CCCO2)cc1F ZINC000858138270 652262574 /nfs/dbraw/zinc/26/25/74/652262574.db2.gz UOTZDDKERYCLJI-ZDUSSCGKSA-N 1 0 314.376 2.316 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000858141745 652263543 /nfs/dbraw/zinc/26/35/43/652263543.db2.gz SAKGITRJBREOMC-ZYHUDNBSSA-N 1 0 311.376 2.165 20 10 DECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149606 652266668 /nfs/dbraw/zinc/26/66/68/652266668.db2.gz PNWDGZIYXCMTNJ-WVDJIFEKSA-N 1 0 304.406 2.278 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc(N2CCOCC2)cc1 ZINC000851899184 652273737 /nfs/dbraw/zinc/27/37/37/652273737.db2.gz YWRBRPUGWKJYNP-RHSMWYFYSA-N 1 0 320.433 2.325 20 10 DECDRO Cc1cncc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858192345 652276604 /nfs/dbraw/zinc/27/66/04/652276604.db2.gz LBPDDABREJXKBQ-UHFFFAOYSA-N 1 0 306.360 2.462 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858212546 652279926 /nfs/dbraw/zinc/27/99/26/652279926.db2.gz OVPMZRSKNFCHHP-HNNXBMFYSA-N 1 0 305.422 2.374 20 10 DECDRO CC[NH+]1CCC(CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858279512 652295831 /nfs/dbraw/zinc/29/58/31/652295831.db2.gz GWYPCRDPXRTAHZ-UHFFFAOYSA-N 1 0 305.422 2.232 20 10 DECDRO CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000858434446 652335633 /nfs/dbraw/zinc/33/56/33/652335633.db2.gz HBVUPMKYYCTYCF-HOTGVXAUSA-N 1 0 302.422 2.260 20 10 DECDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccnn2C)c2c1c(F)ccc2O ZINC000858435149 652336673 /nfs/dbraw/zinc/33/66/73/652336673.db2.gz XDRMZDHIULDKKF-USWWRNFRSA-N 1 0 305.353 2.136 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1O ZINC000852503550 652411965 /nfs/dbraw/zinc/41/19/65/652411965.db2.gz WXBUWKFRVVCYSB-KRWDZBQOSA-N 1 0 307.365 2.471 20 10 DECDRO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1O ZINC000111235185 652535152 /nfs/dbraw/zinc/53/51/52/652535152.db2.gz OQAGUQYKYGSSSJ-UHFFFAOYSA-N 1 0 309.369 2.303 20 10 DECDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853594731 652575613 /nfs/dbraw/zinc/57/56/13/652575613.db2.gz SRLGEYIIWSMPJU-CQSZACIVSA-N 1 0 314.429 2.325 20 10 DECDRO COc1cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c(O)cc1C ZINC000853625264 652580215 /nfs/dbraw/zinc/58/02/15/652580215.db2.gz QWZCUHWHJZPPDO-INIZCTEOSA-N 1 0 322.449 2.252 20 10 DECDRO C[C@@H](CCNC(=O)NCCCSc1nccs1)[NH+](C)C ZINC000853856146 652613443 /nfs/dbraw/zinc/61/34/43/652613443.db2.gz RGRCPBGVJAIRMD-NSHDSACASA-N 1 0 316.496 2.265 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000858494584 685551157 /nfs/dbraw/zinc/55/11/57/685551157.db2.gz LCFJWEGGHIFGTI-NRPADANISA-N 1 0 313.195 2.069 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Br)ccc1O ZINC000136092884 684238319 /nfs/dbraw/zinc/23/83/19/684238319.db2.gz HNELCAQCZVKBNY-KWQFWETISA-N 1 0 315.211 2.459 20 10 DECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160044375 684324751 /nfs/dbraw/zinc/32/47/51/684324751.db2.gz HZFCLXMNQYOWEP-CQSZACIVSA-N 1 0 320.433 2.447 20 10 DECDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000194697704 685075699 /nfs/dbraw/zinc/07/56/99/685075699.db2.gz ZILZOFSUYAJEJE-OAHLLOKOSA-N 1 0 312.417 2.313 20 10 DECDRO C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C[NH2+]1 ZINC000861590435 686151990 /nfs/dbraw/zinc/15/19/90/686151990.db2.gz RJCQWLPGAYZNBK-GOEBONIOSA-N 1 0 314.433 2.003 20 10 DECDRO C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C[NH2+]1 ZINC000861686300 686169821 /nfs/dbraw/zinc/16/98/21/686169821.db2.gz NKNYHUBCNDMBOC-TZMCWYRMSA-N 1 0 317.433 2.211 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000862331447 686277174 /nfs/dbraw/zinc/27/71/74/686277174.db2.gz KOGXGUULUAOFOF-SNVBAGLBSA-N 1 0 323.194 2.193 20 10 DECDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c(O)cccc2Br)C1 ZINC000862372761 686285220 /nfs/dbraw/zinc/28/52/20/686285220.db2.gz AFEJPMYHKNKNGR-GWCFXTLKSA-N 1 0 311.223 2.291 20 10 DECDRO COC(=O)C1(C)CN(Cc2c(O)cccc2Br)C1 ZINC000862397920 686291999 /nfs/dbraw/zinc/29/19/99/686291999.db2.gz QHTGTCMWQKPCSA-UHFFFAOYSA-N 1 0 314.179 2.150 20 10 DECDRO COc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000862427721 686300751 /nfs/dbraw/zinc/30/07/51/686300751.db2.gz DONZCNYPLKXALR-GOSISDBHSA-N 1 0 323.433 2.282 20 10 DECDRO CCON(CC)C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862451868 686303896 /nfs/dbraw/zinc/30/38/96/686303896.db2.gz AVZJAHYAZJJVQF-UHFFFAOYSA-N 1 0 300.786 2.244 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862475814 686307975 /nfs/dbraw/zinc/30/79/75/686307975.db2.gz YCAZKSIKERRUFB-QWNKOJSDSA-N 1 0 318.417 2.030 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000862475274 686308121 /nfs/dbraw/zinc/30/81/21/686308121.db2.gz FQURRWMJQCRESB-OAHLLOKOSA-N 1 0 313.781 2.118 20 10 DECDRO COc1c([O-])c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000862481941 686308227 /nfs/dbraw/zinc/30/82/27/686308227.db2.gz BIKYFUZVAZSDAC-LBPRGKRZSA-N 1 0 323.393 2.131 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c(C(F)(F)F)c1 ZINC000862533411 686316220 /nfs/dbraw/zinc/31/62/20/686316220.db2.gz STRPYWZKJOZNPW-ZIAGYGMSSA-N 1 0 318.339 2.011 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000862550892 686321246 /nfs/dbraw/zinc/32/12/46/686321246.db2.gz OEMWOODMUZOCQF-QGZVFWFLSA-N 1 0 301.434 2.304 20 10 DECDRO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2O)CC[C@H]1C(F)(F)F ZINC000863645469 686539469 /nfs/dbraw/zinc/53/94/69/686539469.db2.gz IBWCUICTILEQQO-GHMZBOCLSA-N 1 0 306.303 2.490 20 10 DECDRO CC[C@@H]1CCN(C(=[NH2+])NCc2ccc(N3CCOCC3)cc2)C1 ZINC000864453265 686725317 /nfs/dbraw/zinc/72/53/17/686725317.db2.gz TXBRBJNEWHAWAR-OAHLLOKOSA-N 1 0 316.449 2.279 20 10 DECDRO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Cl)ccc1O ZINC000866496613 687591665 /nfs/dbraw/zinc/59/16/65/687591665.db2.gz SWBODRDKGSPOAC-SNVBAGLBSA-N 1 0 304.781 2.375 20 10 DECDRO C[C@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccccc1O ZINC000868489190 688033071 /nfs/dbraw/zinc/03/30/71/688033071.db2.gz RSAIOBJFVSYBLI-STQMWFEESA-N 1 0 303.406 2.403 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001019428910 688353921 /nfs/dbraw/zinc/35/39/21/688353921.db2.gz GISGTXBPQMMPCY-HOTGVXAUSA-N 1 0 314.429 2.494 20 10 DECDRO Cc1ccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c(O)c1O ZINC000871359815 688780150 /nfs/dbraw/zinc/78/01/50/688780150.db2.gz VNULBTDAIKSNLG-UHFFFAOYSA-N 1 0 306.406 2.399 20 10 DECDRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1O ZINC000872120246 688932035 /nfs/dbraw/zinc/93/20/35/688932035.db2.gz PMULOYOWPXMVSV-RLAWYHOSSA-N 1 0 309.431 2.399 20 10 DECDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000872203677 688951477 /nfs/dbraw/zinc/95/14/77/688951477.db2.gz ABECDZNVHLEIPV-RTBURBONSA-N 1 0 316.445 2.064 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1Cn1cccn1 ZINC000873009385 689139787 /nfs/dbraw/zinc/13/97/87/689139787.db2.gz KKXYPZSPMVAFEY-UHFFFAOYSA-N 1 0 314.433 2.124 20 10 DECDRO CCCOc1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1C ZINC000873012994 689140613 /nfs/dbraw/zinc/14/06/13/689140613.db2.gz QISKNJXSPBJZPD-UHFFFAOYSA-N 1 0 320.433 2.156 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CCCO)cc1Cn1cccn1 ZINC000873075277 689154811 /nfs/dbraw/zinc/15/48/11/689154811.db2.gz WMDWPUQTZXXVLV-CQSZACIVSA-N 1 0 303.406 2.191 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[C@H](O)C2)ccc1N1CCCCC1 ZINC000873176854 689177335 /nfs/dbraw/zinc/17/73/35/689177335.db2.gz NDBQTRAXRBEHPL-SHTZXODSSA-N 1 0 319.405 2.446 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000874999416 689555451 /nfs/dbraw/zinc/55/54/51/689555451.db2.gz XEVFODBSIMKCCN-UHFFFAOYSA-N 1 0 303.406 2.290 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)N2CCOCC2)cc1 ZINC000876511779 689843499 /nfs/dbraw/zinc/84/34/99/689843499.db2.gz VIBPXVPAFZTKDT-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000877017199 689998534 /nfs/dbraw/zinc/99/85/34/689998534.db2.gz DOQYWOYUFJKUEE-UHFFFAOYSA-N 1 0 304.434 2.435 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@H](O)C3)cc2)CC1 ZINC000877058206 690009674 /nfs/dbraw/zinc/00/96/74/690009674.db2.gz GJAMQFNHKXCCRT-APWZRJJASA-N 1 0 318.461 2.288 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC[C@@H](O)C3)cc2)CC1 ZINC000877058208 690009706 /nfs/dbraw/zinc/00/97/06/690009706.db2.gz GJAMQFNHKXCCRT-QFBILLFUSA-N 1 0 318.461 2.288 20 10 DECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877094199 690016994 /nfs/dbraw/zinc/01/69/94/690016994.db2.gz OHFITJBPXWGJJX-QAQDUYKDSA-N 1 0 318.461 2.288 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)CN1C ZINC000877405232 690104233 /nfs/dbraw/zinc/10/42/33/690104233.db2.gz FMWMGFAVUHDZSA-HZPDHXFCSA-N 1 0 317.477 2.172 20 10 DECDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(C)cccc1O ZINC000877422219 690107785 /nfs/dbraw/zinc/10/77/85/690107785.db2.gz SJRCGVMQRBAXBW-ZIAGYGMSSA-N 1 0 307.390 2.243 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(O)c1 ZINC000877436041 690112201 /nfs/dbraw/zinc/11/22/01/690112201.db2.gz NXQLWJZMVWWRFT-LBPRGKRZSA-N 1 0 316.323 2.201 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c(O)c1 ZINC000877478906 690125602 /nfs/dbraw/zinc/12/56/02/690125602.db2.gz QQSWJMBZFMRAOO-INIZCTEOSA-N 1 0 301.390 2.369 20 10 DECDRO OC[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877491775 690129551 /nfs/dbraw/zinc/12/95/51/690129551.db2.gz XGSGOXPNYNXATN-KRWDZBQOSA-N 1 0 318.461 2.288 20 10 DECDRO COc1cccc(C[NH2+]C2CCC(CNC(C)=O)CC2)c1O ZINC000877525570 690140764 /nfs/dbraw/zinc/14/07/64/690140764.db2.gz HRFDDCYULRCVEU-UHFFFAOYSA-N 1 0 306.406 2.185 20 10 DECDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1C ZINC000877533455 690143833 /nfs/dbraw/zinc/14/38/33/690143833.db2.gz OGDCHNAOVDABOZ-NSHDSACASA-N 1 0 318.373 2.377 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)[C@@H]1n1cccn1 ZINC000877554755 690150602 /nfs/dbraw/zinc/15/06/02/690150602.db2.gz ODLDAQICMUBNJN-OIISXLGYSA-N 1 0 301.390 2.405 20 10 DECDRO COCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877618041 690169031 /nfs/dbraw/zinc/16/90/31/690169031.db2.gz DGQQYHFWYOMGQW-UHFFFAOYSA-N 1 0 304.434 2.164 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000877619859 690170102 /nfs/dbraw/zinc/17/01/02/690170102.db2.gz ARRYIIPKNKXJNI-MRXNPFEDSA-N 1 0 304.434 2.387 20 10 DECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C2 ZINC000877725387 690205177 /nfs/dbraw/zinc/20/51/77/690205177.db2.gz ZZIYZJMNWLOQDE-VKJFTORMSA-N 1 0 302.418 2.492 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1OC ZINC000877804759 690236576 /nfs/dbraw/zinc/23/65/76/690236576.db2.gz CMZWHBCWUFHLEZ-OSAQELSMSA-N 1 0 307.390 2.457 20 10 DECDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877836693 690247220 /nfs/dbraw/zinc/24/72/20/690247220.db2.gz GXJCXGVVHFJYRS-MRXNPFEDSA-N 1 0 318.461 2.241 20 10 DECDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000878455035 690412567 /nfs/dbraw/zinc/41/25/67/690412567.db2.gz NIHQKGBLZSOEGQ-NSHDSACASA-N 1 0 303.366 2.245 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879649418 690699026 /nfs/dbraw/zinc/69/90/26/690699026.db2.gz RVXXLNFUDWIWKX-OLZOCXBDSA-N 1 0 324.421 2.319 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NOC)CC2)cc1 ZINC000879923237 690755063 /nfs/dbraw/zinc/75/50/63/690755063.db2.gz CSWDUEIGYONIRG-UHFFFAOYSA-N 1 0 305.422 2.032 20 10 DECDRO CC(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061088 691006522 /nfs/dbraw/zinc/00/65/22/691006522.db2.gz OZLAYMNQIGWIQP-ZDUSSCGKSA-N 1 0 303.366 2.062 20 10 DECDRO CCC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848785 691173301 /nfs/dbraw/zinc/17/33/01/691173301.db2.gz AKXLIJNZVNHCMW-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO Cc1cnc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880036 691377692 /nfs/dbraw/zinc/37/76/92/691377692.db2.gz YUFLMPBETHVZLK-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@]12CCCO2 ZINC000883087948 691426853 /nfs/dbraw/zinc/42/68/53/691426853.db2.gz NKSHIEXIULXZMK-SQWLQELKSA-N 1 0 313.344 2.487 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883269180 691468988 /nfs/dbraw/zinc/46/89/88/691468988.db2.gz AXOJINRMSKXPCA-AWEZNQCLSA-N 1 0 305.374 2.325 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883269194 691469240 /nfs/dbraw/zinc/46/92/40/691469240.db2.gz BHHZCVUDPNRZIF-AWEZNQCLSA-N 1 0 305.374 2.325 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1O ZINC000883366478 691490386 /nfs/dbraw/zinc/49/03/86/691490386.db2.gz UHFQXTTUUPFNEG-SECBINFHSA-N 1 0 315.238 2.049 20 10 DECDRO CC(=O)c1cc(F)cc(CN(CC[NH3+])CC(F)(F)F)c1O ZINC000883445607 691512673 /nfs/dbraw/zinc/51/26/73/691512673.db2.gz GLAHYYTURIFZBW-UHFFFAOYSA-N 1 0 308.275 2.057 20 10 DECDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000883517329 691529686 /nfs/dbraw/zinc/52/96/86/691529686.db2.gz UZANYDPWPNZXBQ-NSHDSACASA-N 1 0 314.480 2.019 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC(F)(F)C(F)F)cc1 ZINC000884010646 691632639 /nfs/dbraw/zinc/63/26/39/691632639.db2.gz ILAKVRJBMTVSAJ-LLVKDONJSA-N 1 0 321.318 2.159 20 10 DECDRO CCCN(C[C@H]1[C@H](C(=O)OC)C1(F)F)c1ccc(C[NH3+])cc1 ZINC000894569895 692986827 /nfs/dbraw/zinc/98/68/27/692986827.db2.gz NPMXJVJPISDHOH-UONOGXRCSA-N 1 0 312.360 2.416 20 10 DECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759588 693181850 /nfs/dbraw/zinc/18/18/50/693181850.db2.gz KJUAPUSWGCTHRG-YOEHRIQHSA-N 1 0 322.424 2.301 20 10 DECDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(N)cc1)c1cccnc1 ZINC000926140613 693403726 /nfs/dbraw/zinc/40/37/26/693403726.db2.gz BPDCYUIFXVVKPG-INIZCTEOSA-N 1 0 313.405 2.478 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926596589 693476980 /nfs/dbraw/zinc/47/69/80/693476980.db2.gz QCCLKAFBVGMGIO-ZIAGYGMSSA-N 1 0 301.438 2.471 20 10 DECDRO CCON1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000926679341 693491383 /nfs/dbraw/zinc/49/13/83/693491383.db2.gz CJBSHPPDCOSZPT-MRXNPFEDSA-N 1 0 319.449 2.279 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000927104241 693555210 /nfs/dbraw/zinc/55/52/10/693555210.db2.gz KMFFMPHBVVOHOT-UKRRQHHQSA-N 1 0 320.433 2.305 20 10 DECDRO CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001052527102 693559413 /nfs/dbraw/zinc/55/94/13/693559413.db2.gz RMLTXAABBOARNJ-CQSZACIVSA-N 1 0 321.421 2.093 20 10 DECDRO O=C(NCc1ccc2cccnc2c1O)C12CCC[NH+]1CCC2 ZINC001335295104 1150394080 /nfs/dbraw/zinc/39/40/80/1150394080.db2.gz DAJWTQJNWSMXPB-UHFFFAOYSA-N 1 0 311.385 2.185 20 10 DECDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001357687050 1152325606 /nfs/dbraw/zinc/32/56/06/1152325606.db2.gz DWDXCVQUFZSUNO-NVXWUHKLSA-N 1 0 309.369 2.042 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1-c1ccccn1 ZINC001358274887 1152374683 /nfs/dbraw/zinc/37/46/83/1152374683.db2.gz ONBWDWUTXYOMOF-JKSUJKDBSA-N 1 0 324.428 2.171 20 10 DECDRO C[C@H]([NH2+]Cc1[nH]nc2c1COCC2)c1ccc(N(C)C)cc1 ZINC001332920370 1149924718 /nfs/dbraw/zinc/92/47/18/1149924718.db2.gz BMFINZVMWQEJMV-LBPRGKRZSA-N 1 0 300.406 2.399 20 10 DECDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)c(C(F)(F)F)c1 ZINC001170993813 790398513 /nfs/dbraw/zinc/39/85/13/790398513.db2.gz ACDCCJVVRLMBLB-UHFFFAOYSA-N 1 0 320.311 2.042 20 10 DECDRO C[C@@]1([NH3+])CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001204772391 779475352 /nfs/dbraw/zinc/47/53/52/779475352.db2.gz UYXSUTRQSIEGHQ-GOSISDBHSA-N 1 0 301.434 2.014 20 10 DECDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142534443 780798076 /nfs/dbraw/zinc/79/80/76/780798076.db2.gz JSZWLMUEXIFQEP-ZDUSSCGKSA-N 1 0 314.376 2.213 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(C)(F)F)CC2)cc1 ZINC001333622546 1150071016 /nfs/dbraw/zinc/07/10/16/1150071016.db2.gz PLQMDLDOLDXPIB-ZDUSSCGKSA-N 1 0 311.376 2.304 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001144509091 790940596 /nfs/dbraw/zinc/94/05/96/790940596.db2.gz KRLKTZXTJDGZBB-AWEZNQCLSA-N 1 0 316.357 2.242 20 10 DECDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c(O)c1OC ZINC001333725378 1150084067 /nfs/dbraw/zinc/08/40/67/1150084067.db2.gz QJBLUCDLSOYUGV-GOSISDBHSA-N 1 0 317.385 2.407 20 10 DECDRO Cc1nc(NCc2ccc(O)c(O)c2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001169991043 785786649 /nfs/dbraw/zinc/78/66/49/785786649.db2.gz WWMVMTZUHDEBBY-ZDUSSCGKSA-N 1 0 314.389 2.275 20 10 DECDRO CC[C@@H](C)[C@@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130514758 787415838 /nfs/dbraw/zinc/41/58/38/787415838.db2.gz DXCLURPHFNIQEA-CXAGYDPISA-N 1 0 322.449 2.271 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001115866410 794931552 /nfs/dbraw/zinc/93/15/52/794931552.db2.gz BMZZHEMTKYFYGE-UHFFFAOYSA-N 1 0 318.465 2.378 20 10 DECDRO Cc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[nH]n1 ZINC001117867806 795116999 /nfs/dbraw/zinc/11/69/99/795116999.db2.gz HQVHONKVXQWOGQ-UHFFFAOYSA-N 1 0 322.359 2.123 20 10 DECDRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179691231 795154268 /nfs/dbraw/zinc/15/42/68/795154268.db2.gz DKBCVGMTRQCPAC-BVBGJJFLSA-N 1 0 324.380 2.023 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1 ZINC001179979481 795213482 /nfs/dbraw/zinc/21/34/82/795213482.db2.gz GNKSRHIZIFJULP-UHFFFAOYSA-N 1 0 313.401 2.168 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001119203439 795272361 /nfs/dbraw/zinc/27/23/61/795272361.db2.gz CLCYNJHPQLGAGH-HUUCEWRRSA-N 1 0 303.406 2.290 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC001119323739 795288298 /nfs/dbraw/zinc/28/82/98/795288298.db2.gz GMNBEXQDFSGEMJ-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278234 795360510 /nfs/dbraw/zinc/36/05/10/795360510.db2.gz ZDKZAOKDHRRAIB-UHFFFAOYSA-N 1 0 306.406 2.319 20 10 DECDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278589 795361828 /nfs/dbraw/zinc/36/18/28/795361828.db2.gz GAYRJWWXGVNVLR-MRXNPFEDSA-N 1 0 320.433 2.173 20 10 DECDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1C[NH3+] ZINC001120494991 795472686 /nfs/dbraw/zinc/47/26/86/795472686.db2.gz DMRXZMKOFFKKMW-JSGCOSHPSA-N 1 0 322.428 2.018 20 10 DECDRO C[C@@H](NC(=O)N[C@]12CCC[C@H]1C[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001120620269 795499507 /nfs/dbraw/zinc/49/95/07/795499507.db2.gz ZPWZQVVQLWMOSU-XUWXXGDYSA-N 1 0 316.449 2.255 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(O)c1 ZINC001181686791 795510675 /nfs/dbraw/zinc/51/06/75/795510675.db2.gz JSTJJLPZEFGQPH-KRWDZBQOSA-N 1 0 307.390 2.091 20 10 DECDRO Nc1ccc(CC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001122211759 795736454 /nfs/dbraw/zinc/73/64/54/795736454.db2.gz YLTXBPWCPSYOME-MRXNPFEDSA-N 1 0 315.461 2.440 20 10 DECDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCOC1 ZINC001138336894 796198567 /nfs/dbraw/zinc/19/85/67/796198567.db2.gz HXGCNNXCIPOUEP-HNNXBMFYSA-N 1 0 302.418 2.312 20 10 DECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337572 796198688 /nfs/dbraw/zinc/19/86/88/796198688.db2.gz ANPZAAYQDFCFIX-BBRMVZONSA-N 1 0 316.445 2.436 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@]4(CCNC4=O)C3)ccc21 ZINC001138355405 796204093 /nfs/dbraw/zinc/20/40/93/796204093.db2.gz QBIMJRVOWJALOM-IBGZPJMESA-N 1 0 313.445 2.171 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@@](F)(CO)C2)c(OC)c1 ZINC001138386696 796208825 /nfs/dbraw/zinc/20/88/25/796208825.db2.gz TWIQVEDXPUDMIK-KRWDZBQOSA-N 1 0 310.413 2.448 20 10 DECDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC001138498773 796226834 /nfs/dbraw/zinc/22/68/34/796226834.db2.gz DZXOFLFOSOHDID-IEBWSBKVSA-N 1 0 315.461 2.049 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001138498836 796227058 /nfs/dbraw/zinc/22/70/58/796227058.db2.gz HMBLGZNDVZWQPO-SFHVURJKSA-N 1 0 302.418 2.278 20 10 DECDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c1O ZINC001203615352 796240776 /nfs/dbraw/zinc/24/07/76/796240776.db2.gz SLQQKOOHOGFOGT-HNNXBMFYSA-N 1 0 306.406 2.234 20 10 DECDRO COc1cc(CN(C)CC(F)(F)F)cc(C[NH+](C)C)c1O ZINC001139252913 796348849 /nfs/dbraw/zinc/34/88/49/796348849.db2.gz FGYIVLRCPWXTHQ-UHFFFAOYSA-N 1 0 306.328 2.457 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3Cc4ncsc4C3)cc2)CC1 ZINC001139411020 796372619 /nfs/dbraw/zinc/37/26/19/796372619.db2.gz QLMPCCOVNPMWPV-UHFFFAOYSA-N 1 0 314.458 2.411 20 10 DECDRO COC[C@@H]1CN(Cc2cc(F)ccc2O)Cc2ncn(C)c21 ZINC001140054300 796470728 /nfs/dbraw/zinc/47/07/28/796470728.db2.gz PADSACVDRDXLMQ-LBPRGKRZSA-N 1 0 305.353 2.011 20 10 DECDRO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060237 796472208 /nfs/dbraw/zinc/47/22/08/796472208.db2.gz QFHXBMZEANYKEX-AWEZNQCLSA-N 1 0 309.385 2.203 20 10 DECDRO Oc1cccc(Br)c1C[N@H+]1CCc2nccn2CC1 ZINC001140102996 796476957 /nfs/dbraw/zinc/47/69/57/796476957.db2.gz DDAICBAOJILVBT-UHFFFAOYSA-N 1 0 322.206 2.410 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC001140180603 796487808 /nfs/dbraw/zinc/48/78/08/796487808.db2.gz ZLJIKGFWJAMXME-UHFFFAOYSA-N 1 0 302.418 2.500 20 10 DECDRO Oc1cccc(Cl)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140342334 796509624 /nfs/dbraw/zinc/50/96/24/796509624.db2.gz DUJHNHXJZAJINK-ZDUSSCGKSA-N 1 0 310.825 2.342 20 10 DECDRO Oc1cc(Cl)ccc1CN1CCN(c2ncccn2)CC1 ZINC001140461819 796526129 /nfs/dbraw/zinc/52/61/29/796526129.db2.gz UNARNGOPRNQUHX-UHFFFAOYSA-N 1 0 304.781 2.158 20 10 DECDRO CCC1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663599 796553573 /nfs/dbraw/zinc/55/35/73/796553573.db2.gz KYFPIAJDEZKAPG-UHFFFAOYSA-N 1 0 322.424 2.399 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CC(CNC(=O)OC(C)(C)C)C2)c1O ZINC001140744466 796566739 /nfs/dbraw/zinc/56/67/39/796566739.db2.gz YLDPBUKLZOYISO-UHFFFAOYSA-N 1 0 322.405 2.363 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CC(N3CC(F)C3)C2)c(O)c1 ZINC001140850170 796582860 /nfs/dbraw/zinc/58/28/60/796582860.db2.gz FTPXXGIISUSDJJ-UHFFFAOYSA-N 1 0 307.413 2.076 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c1 ZINC001140854929 796583914 /nfs/dbraw/zinc/58/39/14/796583914.db2.gz GXWPLBNMCQINGE-INIZCTEOSA-N 1 0 319.449 2.339 20 10 DECDRO CC(=O)N1CCN(Cc2ccc(N(C)C)cc2Cl)[C@@H](C)C1 ZINC001140926006 796598749 /nfs/dbraw/zinc/59/87/49/796598749.db2.gz XDKRRLUVVHRTIF-LBPRGKRZSA-N 1 0 309.841 2.459 20 10 DECDRO COC[C@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2cn(C)nc21 ZINC001140952194 796606271 /nfs/dbraw/zinc/60/62/71/796606271.db2.gz HZLBKJQQTRNCDS-OAHLLOKOSA-N 1 0 301.390 2.180 20 10 DECDRO COCC[N@H+](Cc1ccc(C)cc1O)C1CCN(C(C)=O)CC1 ZINC001140950222 796606733 /nfs/dbraw/zinc/60/67/33/796606733.db2.gz WCFYBXWZLLAQQT-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028969 796620693 /nfs/dbraw/zinc/62/06/93/796620693.db2.gz FULVNULFQYZHNQ-GFCCVEGCSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(OC)c1 ZINC001141032295 796622683 /nfs/dbraw/zinc/62/26/83/796622683.db2.gz XMBJWIWIUSWMRZ-YVEFUNNKSA-N 1 0 309.406 2.392 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@](F)(CO)CC3)ccc21 ZINC001141140049 796638202 /nfs/dbraw/zinc/63/82/02/796638202.db2.gz HMTRDILEZOVZQP-QGZVFWFLSA-N 1 0 308.397 2.202 20 10 DECDRO CC[N@H+](Cc1ccc2c(c1)OCCN2C)C1CCN(C)CC1 ZINC001141143382 796639072 /nfs/dbraw/zinc/63/90/72/796639072.db2.gz WVJASLKIUXRAFL-UHFFFAOYSA-N 1 0 303.450 2.431 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@]1(C)O ZINC001141141044 796639125 /nfs/dbraw/zinc/63/91/25/796639125.db2.gz SNBJGGOIUCTQQD-KBXCAEBGSA-N 1 0 304.434 2.498 20 10 DECDRO CCOC(=O)CN(Cc1ccc2c(c1)OCCN2C)C1CC1 ZINC001141146445 796639680 /nfs/dbraw/zinc/63/96/80/796639680.db2.gz VMNKXCJXEYISTP-UHFFFAOYSA-N 1 0 304.390 2.043 20 10 DECDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141155947 796640909 /nfs/dbraw/zinc/64/09/09/796640909.db2.gz BOFOMTHWYJTAMF-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO O=C([C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1)N1CCCCC1 ZINC001141159032 796642352 /nfs/dbraw/zinc/64/23/52/796642352.db2.gz WTMBQWZVMXRJIE-AWEZNQCLSA-N 1 0 318.417 2.322 20 10 DECDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160226 796643237 /nfs/dbraw/zinc/64/32/37/796643237.db2.gz SORLCOASJJCDME-DOTOQJQBSA-N 1 0 307.390 2.258 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cscn2)cc1C ZINC001155679598 797826135 /nfs/dbraw/zinc/82/61/35/797826135.db2.gz WLWOPKZRVBHHQC-UHFFFAOYSA-N 1 0 319.430 2.370 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001157433683 798205019 /nfs/dbraw/zinc/20/50/19/798205019.db2.gz KOEHQRUFVLNNPD-DETPVDSQSA-N 1 0 302.418 2.486 20 10 DECDRO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2cn(C)nc21 ZINC001203932205 798458686 /nfs/dbraw/zinc/45/86/86/798458686.db2.gz WDXGHOWKJHJEHY-MRXNPFEDSA-N 1 0 314.433 2.232 20 10 DECDRO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924844 798763523 /nfs/dbraw/zinc/76/35/23/798763523.db2.gz QEOINFLLHQUVIE-OAHLLOKOSA-N 1 0 306.406 2.136 20 10 DECDRO CCN(C(=O)/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161333740 798830188 /nfs/dbraw/zinc/83/01/88/798830188.db2.gz WVNOPQCWHRFTHN-XLNAKTSKSA-N 1 0 301.434 2.366 20 10 DECDRO OCC1(C[NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000717687234 799428403 /nfs/dbraw/zinc/42/84/03/799428403.db2.gz NQUIKUJOVGDSPI-UHFFFAOYSA-N 1 0 300.196 2.407 20 10 DECDRO CCOc1cccc(C[N@H+](C)C2CCN(C(C)=O)CC2)c1O ZINC001203609527 800089300 /nfs/dbraw/zinc/08/93/00/800089300.db2.gz WYIGIUHASTUMHR-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO CC[C@H]1[N@H+](Cc2ccc(OC)cc2O)CCC[C@]12CCC(=O)N2 ZINC001203623962 800092582 /nfs/dbraw/zinc/09/25/82/800092582.db2.gz ZGCIWQQHKTUXQU-AEFFLSMTSA-N 1 0 318.417 2.424 20 10 DECDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(OC)cc3O)C[C@@H]2C)C1=O ZINC001203622953 800092686 /nfs/dbraw/zinc/09/26/86/800092686.db2.gz GVHQVADCOYLISI-UGSOOPFHSA-N 1 0 318.417 2.091 20 10 DECDRO COc1ccc(O)c(CN2CCc3cnc(SC)nc3C2)c1 ZINC001203680387 800105376 /nfs/dbraw/zinc/10/53/76/800105376.db2.gz SVDYMNUCXVDTRS-UHFFFAOYSA-N 1 0 317.414 2.471 20 10 DECDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878053 800138464 /nfs/dbraw/zinc/13/84/64/800138464.db2.gz AAHJBIVXAPMPIO-HNNXBMFYSA-N 1 0 321.417 2.363 20 10 DECDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203876339 800138862 /nfs/dbraw/zinc/13/88/62/800138862.db2.gz AIAOGYDFZGFHKR-LSDHHAIUSA-N 1 0 318.417 2.177 20 10 DECDRO CCOC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203937109 800149257 /nfs/dbraw/zinc/14/92/57/800149257.db2.gz LAQQHRQKIWZJNM-UHFFFAOYSA-N 1 0 305.422 2.463 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)cc1 ZINC001203946073 800149854 /nfs/dbraw/zinc/14/98/54/800149854.db2.gz SSYLXFWHRMWDRG-UHFFFAOYSA-N 1 0 301.434 2.197 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c2ccccc21 ZINC001204237227 800192872 /nfs/dbraw/zinc/19/28/72/800192872.db2.gz HSYJHFJIPSBNPZ-QAPCUYQASA-N 1 0 323.440 2.426 20 10 DECDRO COc1cccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204272048 800197541 /nfs/dbraw/zinc/19/75/41/800197541.db2.gz IMLBDCRTSXNKFL-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO Oc1ccc(CN2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001204278270 800200611 /nfs/dbraw/zinc/20/06/11/800200611.db2.gz CNAQZWUKGUZHNF-UHFFFAOYSA-N 1 0 308.397 2.496 20 10 DECDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329629 800205484 /nfs/dbraw/zinc/20/54/84/800205484.db2.gz SHCGGNXZNAFLPK-KRWDZBQOSA-N 1 0 318.417 2.051 20 10 DECDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934624770 800400933 /nfs/dbraw/zinc/40/09/33/800400933.db2.gz GFAQTZLUIVRVKT-RHSMWYFYSA-N 1 0 301.434 2.313 20 10 DECDRO C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1[NH3+] ZINC001205880261 800436445 /nfs/dbraw/zinc/43/64/45/800436445.db2.gz AEXUYGYCEUTHSV-CJNGLKHVSA-N 1 0 323.868 2.346 20 10 DECDRO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000935310790 800623186 /nfs/dbraw/zinc/62/31/86/800623186.db2.gz MGMCPMBVYBCJMY-OCCSQVGLSA-N 1 0 306.406 2.018 20 10 DECDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC001207130082 800690118 /nfs/dbraw/zinc/69/01/18/800690118.db2.gz WNDDRKLEQBCWRH-HNNXBMFYSA-N 1 0 300.333 2.448 20 10 DECDRO COc1ccc(N2CC[NH+](CC3COC(C)(C)OC3)CC2)cc1 ZINC001209191841 801146904 /nfs/dbraw/zinc/14/69/04/801146904.db2.gz PZTOINZKIKMOGY-UHFFFAOYSA-N 1 0 320.433 2.216 20 10 DECDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(C(C)(C)C)c1O ZINC001211362931 801554450 /nfs/dbraw/zinc/55/44/50/801554450.db2.gz XIWJSHAHWFHSAH-HNNXBMFYSA-N 1 0 320.433 2.027 20 10 DECDRO COc1ccc(Br)c(C[NH+]2CCC(O)CC2)c1O ZINC001231548705 801686274 /nfs/dbraw/zinc/68/62/74/801686274.db2.gz XWYGPLONRQYYNB-UHFFFAOYSA-N 1 0 316.195 2.120 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001231595545 801691844 /nfs/dbraw/zinc/69/18/44/801691844.db2.gz ZBMOJZRKTQCUND-AWEZNQCLSA-N 1 0 303.337 2.283 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCN(CCC(C)(C)O)CC2)c(O)c1 ZINC001231850484 801736920 /nfs/dbraw/zinc/73/69/20/801736920.db2.gz QLLWGWCVIGSSMH-UHFFFAOYSA-N 1 0 306.450 2.288 20 10 DECDRO Clc1cc(CN2CC[N@@H+]3CC[C@H]3C2)ccc1N1CCOCC1 ZINC001232199584 801814549 /nfs/dbraw/zinc/81/45/49/801814549.db2.gz DQSVSRNVMVTUHV-HNNXBMFYSA-N 1 0 321.852 2.067 20 10 DECDRO CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CN(C)C1 ZINC001232201901 801814712 /nfs/dbraw/zinc/81/47/12/801814712.db2.gz OVLNLCYXQKXTEZ-UHFFFAOYSA-N 1 0 323.868 2.313 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCCC[C@@H]2CO)c2ccccc2n1C ZINC001232402131 801870407 /nfs/dbraw/zinc/87/04/07/801870407.db2.gz UJMWTIMCHCOVNR-CYBMUJFWSA-N 1 0 316.401 2.312 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](C(C)=O)C2)c2ccccc2n1C ZINC001232404107 801872002 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C[N@@H+]1CCN(Cc2cc(O)c(O)cc2O)[C@H](c2ccccc2)C1 ZINC001233482192 802126297 /nfs/dbraw/zinc/12/62/97/802126297.db2.gz DNAOMCDJASPZEL-HNNXBMFYSA-N 1 0 314.385 2.292 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C=CC[NH2+]C3)cccc21 ZINC001218332601 802168725 /nfs/dbraw/zinc/16/87/25/802168725.db2.gz YJDOADSKJHGTIZ-GFCCVEGCSA-N 1 0 305.333 2.369 20 10 DECDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001218581195 802209202 /nfs/dbraw/zinc/20/92/02/802209202.db2.gz HKWLZLKTTPJBSZ-QYWTTXBCSA-N 1 0 310.361 2.343 20 10 DECDRO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(O)c1O ZINC001335368330 1150399992 /nfs/dbraw/zinc/39/99/92/1150399992.db2.gz AZFGODWUWUCTIY-MJBXVCDLSA-N 1 0 318.417 2.209 20 10 DECDRO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC001331533828 1149514857 /nfs/dbraw/zinc/51/48/57/1149514857.db2.gz PYYXKXIGZJXFPR-UHFFFAOYSA-N 1 0 319.405 2.304 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1ncoc1C1CC[NH2+]CC1 ZINC001343164333 1150700055 /nfs/dbraw/zinc/70/00/55/1150700055.db2.gz PIUOGEFHNPEUOR-UHFFFAOYSA-N 1 0 315.373 2.119 20 10 DECDRO Cc1cc(C(=O)NOC[C@@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC001343797266 1150773728 /nfs/dbraw/zinc/77/37/28/1150773728.db2.gz DIVWMDVSKJTOQF-GFCCVEGCSA-N 1 0 301.390 2.411 20 10 DECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1(CO)CCOCC1 ZINC001350562718 1151370124 /nfs/dbraw/zinc/37/01/24/1151370124.db2.gz MISBUPKKOIIRCV-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3c(O)cccc3F)C[N@@H+]2C1 ZINC001529018832 1070816090 /nfs/dbraw/zinc/81/60/90/1070816090.db2.gz VONSFDOPIUNCPQ-AGIUHOORSA-N 1 0 306.381 2.268 20 10 DECDRO O=C([C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1)N1CCCC1 ZINC001462292626 1058797729 /nfs/dbraw/zinc/79/77/29/1058797729.db2.gz REUHGPMZJOUPSH-ZDUSSCGKSA-N 1 0 308.809 2.490 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC001462344670 1058807466 /nfs/dbraw/zinc/80/74/66/1058807466.db2.gz UVTRYUZVJRRYLU-XJKSGUPXSA-N 1 0 317.389 2.144 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC001462519685 1058842361 /nfs/dbraw/zinc/84/23/61/1058842361.db2.gz REXCUWOCMCZFKB-OAHLLOKOSA-N 1 0 321.417 2.385 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1ccccc1O ZINC001474253839 1060837534 /nfs/dbraw/zinc/83/75/34/1060837534.db2.gz XEUWMIDRCGRFHR-LBPRGKRZSA-N 1 0 300.358 2.107 20 10 DECDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474574772 1060897329 /nfs/dbraw/zinc/89/73/29/1060897329.db2.gz NEYFKBSWCCXPLP-ZDUSSCGKSA-N 1 0 311.813 2.281 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(O)c1 ZINC001621160280 1078170968 /nfs/dbraw/zinc/17/09/68/1078170968.db2.gz UUAZRVITBFXQFS-CQSZACIVSA-N 1 0 316.405 2.213 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 ZINC001621424828 1078174063 /nfs/dbraw/zinc/17/40/63/1078174063.db2.gz GKXNSODOADSRNR-OEQZANGBSA-N 1 0 315.417 2.196 20 10 DECDRO C[C@H](C[NH2+]C/C=C\Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569040623 1065253593 /nfs/dbraw/zinc/25/35/93/1065253593.db2.gz GONMBAXBIMRWCL-XIIQGOPKSA-N 1 0 323.784 2.309 20 10 DECDRO CC1(C)C[NH2+]CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001576482424 1066620328 /nfs/dbraw/zinc/62/03/28/1066620328.db2.gz RKORHTSMNVAPTQ-UHFFFAOYSA-N 1 0 306.387 2.137 20 10 DECDRO C[C@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCC[NH2+]C1 ZINC001576515592 1066626215 /nfs/dbraw/zinc/62/62/15/1066626215.db2.gz FFYULBALXIQLTB-HNNXBMFYSA-N 1 0 311.813 2.235 20 10 DECDRO COC(=O)COc1ccc(N(C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC001578813876 1067176462 /nfs/dbraw/zinc/17/64/62/1067176462.db2.gz ZXQLWANHIFAJSX-CQSZACIVSA-N 1 0 306.406 2.064 20 10 DECDRO [NH3+]C[C@H](NC(=O)NCc1cccc(Cl)c1O)C1CCCC1 ZINC001580222111 1067529418 /nfs/dbraw/zinc/52/94/18/1067529418.db2.gz NHCMQUSCULLJMO-ZDUSSCGKSA-N 1 0 311.813 2.362 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3(F)F)CC2)cc1C ZINC001483733281 1078913658 /nfs/dbraw/zinc/91/36/58/1078913658.db2.gz QZPYIQRBUIVELV-ZDUSSCGKSA-N 1 0 324.371 2.397 20 10 DECDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001543824720 1072509705 /nfs/dbraw/zinc/50/97/05/1072509705.db2.gz WKTHBSCNJOLFIH-CYBMUJFWSA-N 1 0 320.433 2.267 20 10 DECDRO O=C1N(CC(F)F)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001272618482 1079015255 /nfs/dbraw/zinc/01/52/55/1079015255.db2.gz JHRKINYJDZUMTI-UHFFFAOYSA-N 1 0 324.371 2.472 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001272638226 1079027580 /nfs/dbraw/zinc/02/75/80/1079027580.db2.gz PGVVFNXOVVHTHZ-ZDUSSCGKSA-N 1 0 308.809 2.394 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235989447 1079068280 /nfs/dbraw/zinc/06/82/80/1079068280.db2.gz KRWACVCSGFLGKT-RISCZKNCSA-N 1 0 311.223 2.386 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC001649989875 1079343182 /nfs/dbraw/zinc/34/31/82/1079343182.db2.gz GGGFQSMFGOPYSH-GOSISDBHSA-N 1 0 306.450 2.410 20 10 DECDRO CCN(C)c1ccc(C[N@H+](CCOC)CCC(=O)OC)cc1 ZINC001559533654 1075126407 /nfs/dbraw/zinc/12/64/07/1075126407.db2.gz QVSTVFDENABUQR-UHFFFAOYSA-N 1 0 308.422 2.154 20 10 DECDRO CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566782866 1075343091 /nfs/dbraw/zinc/34/30/91/1075343091.db2.gz MTEHPIHDMOSHOV-FVQBIDKESA-N 1 0 320.433 2.165 20 10 DECDRO Nc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC001580445435 1075925198 /nfs/dbraw/zinc/92/51/98/1075925198.db2.gz CVBLOLPXQQJNGR-LBPRGKRZSA-N 1 0 321.222 2.332 20 10 DECDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001580813476 1076001428 /nfs/dbraw/zinc/00/14/28/1076001428.db2.gz ZVHFZRSWDKDCJG-MNOVXSKESA-N 1 0 318.398 2.279 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(O)c1 ZINC001592164023 1076864041 /nfs/dbraw/zinc/86/40/41/1076864041.db2.gz BYNSZXXWWGJORR-MRXNPFEDSA-N 1 0 321.384 2.138 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1c(C)c2ccccc2n1C ZINC001620956410 1077059150 /nfs/dbraw/zinc/05/91/50/1077059150.db2.gz WGXCYMMXSNWPCQ-AWEZNQCLSA-N 1 0 319.474 2.444 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC(C)(C)O)cc1C ZINC001267979244 1079662154 /nfs/dbraw/zinc/66/21/54/1079662154.db2.gz KQJZHINUHZFRGU-ZDUSSCGKSA-N 1 0 322.449 2.007 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1F ZINC001650665028 1079766691 /nfs/dbraw/zinc/76/66/91/1079766691.db2.gz QPUCLGHRGFNPIO-CYBMUJFWSA-N 1 0 307.413 2.381 20 10 DECDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC001652015468 1079846714 /nfs/dbraw/zinc/84/67/14/1079846714.db2.gz QFYFKEHBGNIFRH-ZDUSSCGKSA-N 1 0 313.781 2.057 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC001656035085 1080031624 /nfs/dbraw/zinc/03/16/24/1080031624.db2.gz QDRVCZDDMLERIN-KRWDZBQOSA-N 1 0 302.422 2.090 20 10 DECDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)n(-c2ccccn2)n1 ZINC001657031389 1080147625 /nfs/dbraw/zinc/14/76/25/1080147625.db2.gz ZOHQLMBEZGGCRE-UHFFFAOYSA-N 1 0 306.369 2.492 20 10 DECDRO CSC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657249426 1080167543 /nfs/dbraw/zinc/16/75/43/1080167543.db2.gz NWJVGRBWJHQHFJ-CYBMUJFWSA-N 1 0 311.470 2.419 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(O)c1 ZINC001657445180 1080174262 /nfs/dbraw/zinc/17/42/62/1080174262.db2.gz XGDFMPNSTOSFPQ-ZDUSSCGKSA-N 1 0 318.417 2.200 20 10 DECDRO CS[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657627090 1080180698 /nfs/dbraw/zinc/18/06/98/1080180698.db2.gz IDSGFKMERDOERZ-CYBMUJFWSA-N 1 0 311.470 2.419 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccccc1O ZINC001658524113 1080209965 /nfs/dbraw/zinc/20/99/65/1080209965.db2.gz PQMVSXFMUJYTDS-JTQLQIEISA-N 1 0 324.377 2.030 20 10 DECDRO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001658517452 1080210604 /nfs/dbraw/zinc/21/06/04/1080210604.db2.gz SNCVYHFNJPEWSY-QGZVFWFLSA-N 1 0 320.433 2.154 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC2)C2CC2)cc1C ZINC001661102121 1080441155 /nfs/dbraw/zinc/44/11/55/1080441155.db2.gz YOECRTZMDCKJEN-INIZCTEOSA-N 1 0 302.418 2.398 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCOC3)cc2F)CC1 ZINC001661121248 1080443955 /nfs/dbraw/zinc/44/39/55/1080443955.db2.gz JIWMMTVMDUBKHJ-OAHLLOKOSA-N 1 0 322.424 2.303 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC3(C2)OCCO3)cc1F ZINC001662063371 1080566065 /nfs/dbraw/zinc/56/60/65/1080566065.db2.gz IHMIKWTVEOFTQU-GFCCVEGCSA-N 1 0 312.360 2.416 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cnccc2C)cc1C ZINC001125199695 1080595714 /nfs/dbraw/zinc/59/57/14/1080595714.db2.gz NLTLVQNVGRKIIY-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CCCO2)cc1C ZINC001663829492 1080822402 /nfs/dbraw/zinc/82/24/02/1080822402.db2.gz GYUPTVGNWWRTCI-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H]3C)CC2)cc1C ZINC001269469462 1081256901 /nfs/dbraw/zinc/25/69/01/1081256901.db2.gz VRJLRAOZRCHSHM-WFASDCNBSA-N 1 0 302.418 2.398 20 10 DECDRO O=C(c1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001270036805 1081434259 /nfs/dbraw/zinc/43/42/59/1081434259.db2.gz GGFQVJAAJODOHL-GJZGRUSLSA-N 1 0 316.401 2.329 20 10 DECDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527424 1083480489 /nfs/dbraw/zinc/48/04/89/1083480489.db2.gz OKVAODKFSVKFHQ-PBINXNQUSA-N 1 0 310.781 2.106 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(F)F)C2CC2)cc1C ZINC001276528031 1083480612 /nfs/dbraw/zinc/48/06/12/1083480612.db2.gz DBQNCVSQTAIRSL-CYBMUJFWSA-N 1 0 312.360 2.253 20 10 DECDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC001276959020 1083699948 /nfs/dbraw/zinc/69/99/48/1083699948.db2.gz YLJFQSCYIQDFLE-MXSMSXNCSA-N 1 0 315.461 2.345 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)cc1 ZINC001276958647 1083701404 /nfs/dbraw/zinc/70/14/04/1083701404.db2.gz SFOJWRJQUSHPDG-ALXJQNPVSA-N 1 0 315.461 2.476 20 10 DECDRO CC(C)(C)NC(=O)C12CC([NH2+]Cc3ccc(O)cc3O)(C1)C2 ZINC001277192570 1083839540 /nfs/dbraw/zinc/83/95/40/1083839540.db2.gz PJMQXNKMULJNDA-UHFFFAOYSA-N 1 0 304.390 2.025 20 10 DECDRO O=C(N1CC=CC1)C12CC([NH2+]Cc3cc(Cl)ccc3O)(C1)C2 ZINC001277456525 1083981831 /nfs/dbraw/zinc/98/18/31/1083981831.db2.gz APOYQHKZFBKCLG-UHFFFAOYSA-N 1 0 318.804 2.456 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)OC)cc1C ZINC001277770704 1084140823 /nfs/dbraw/zinc/14/08/23/1084140823.db2.gz HMOSSKZVQJEEGO-HUUCEWRRSA-N 1 0 322.449 2.365 20 10 DECDRO CCN(CC)c1ccc(CN2CC[NH2+]CC23CC3)c(OC)c1 ZINC001234976173 1084256032 /nfs/dbraw/zinc/25/60/32/1084256032.db2.gz RAPGPEHPFIDOCT-UHFFFAOYSA-N 1 0 303.450 2.479 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncc(F)cn1 ZINC001235006318 1084271426 /nfs/dbraw/zinc/27/14/26/1084271426.db2.gz UTVCZKCCAJWBGP-UHFFFAOYSA-N 1 0 316.380 2.084 20 10 DECDRO Cc1cc(Br)cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235077727 1084301289 /nfs/dbraw/zinc/30/12/89/1084301289.db2.gz FFPDQNPRJRSMNN-CHWSQXEVSA-N 1 0 311.223 2.399 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1NS(C)(=O)=O ZINC001235140147 1084325271 /nfs/dbraw/zinc/32/52/71/1084325271.db2.gz LSJKESKBJVIGKK-UHFFFAOYSA-N 1 0 320.414 2.396 20 10 DECDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902492 1084453121 /nfs/dbraw/zinc/45/31/21/1084453121.db2.gz DHMMKBUPACTHOQ-FZKQIMNGSA-N 1 0 318.417 2.321 20 10 DECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001235995128 1084585651 /nfs/dbraw/zinc/58/56/51/1084585651.db2.gz VGHIOWAPFZPHMH-MFKMUULPSA-N 1 0 302.296 2.214 20 10 DECDRO C[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H](C)C[NH2+]1 ZINC001236074877 1084604326 /nfs/dbraw/zinc/60/43/26/1084604326.db2.gz LCKUIIMDZRGMNU-KBPBESRZSA-N 1 0 315.461 2.273 20 10 DECDRO CCCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001236139243 1084620060 /nfs/dbraw/zinc/62/00/60/1084620060.db2.gz LICYBBULQFLTGQ-SFHVURJKSA-N 1 0 317.477 2.487 20 10 DECDRO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272987601 1085800808 /nfs/dbraw/zinc/80/08/08/1085800808.db2.gz DZPFJIQRQGPTLD-GOSISDBHSA-N 1 0 318.417 2.321 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000701116658 1086353329 /nfs/dbraw/zinc/35/33/29/1086353329.db2.gz HSDFIGQQIQXZIX-BXKDBHETSA-N 1 0 300.196 2.405 20 10 DECDRO Oc1ccccc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702577804 1086443901 /nfs/dbraw/zinc/44/39/01/1086443901.db2.gz AYIHIWLZSPUMHE-IBGZPJMESA-N 1 0 312.413 2.119 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)cc1Cl ZINC001274529744 1091287118 /nfs/dbraw/zinc/28/71/18/1091287118.db2.gz ZUCIYXOCZSCIAW-MRXNPFEDSA-N 1 0 324.808 2.108 20 10 DECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001274528414 1091287518 /nfs/dbraw/zinc/28/75/18/1091287518.db2.gz JESYNHZNXDDVRW-LLVKDONJSA-N 1 0 324.808 2.099 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1O ZINC001273769508 1092041407 /nfs/dbraw/zinc/04/14/07/1092041407.db2.gz KJTXMHAOOYAXDP-KRWDZBQOSA-N 1 0 324.371 2.390 20 10 DECDRO CN(C)c1ccc(CN2CC(O)([C@@H]3CCCC[NH2+]3)C2)c(Cl)c1 ZINC001236165225 1138335620 /nfs/dbraw/zinc/33/56/20/1138335620.db2.gz KMKAOOBWOAMYCL-INIZCTEOSA-N 1 0 323.868 2.095 20 10 DECDRO Oc1ccc(OCc2ccccc2)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236287521 1138346271 /nfs/dbraw/zinc/34/62/71/1138346271.db2.gz DTTOGEZPMHFKGS-FUHWJXTLSA-N 1 0 310.397 2.375 20 10 DECDRO C[N@H+](Cc1cc(O)c(Br)cc1O)[C@H]1CCCOC1 ZINC001236766044 1138420269 /nfs/dbraw/zinc/42/02/69/1138420269.db2.gz UJYSHLNCYKKPBC-JTQLQIEISA-N 1 0 316.195 2.471 20 10 DECDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236786338 1138426584 /nfs/dbraw/zinc/42/65/84/1138426584.db2.gz AROHXSKEQWYSBQ-HOCLYGCPSA-N 1 0 302.418 2.397 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)c1 ZINC001236811620 1138437566 /nfs/dbraw/zinc/43/75/66/1138437566.db2.gz UBMCPPCFEWZPSO-UHFFFAOYSA-N 1 0 320.389 2.126 20 10 DECDRO COc1cc(C)c(C[NH+]2CCN(c3nccs3)CC2)c(O)c1 ZINC001236818234 1138438725 /nfs/dbraw/zinc/43/87/25/1138438725.db2.gz JQAXFJPYFOQBNV-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO COCCN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236830913 1138441091 /nfs/dbraw/zinc/44/10/91/1138441091.db2.gz SCKTUKDTRDLMKX-UHFFFAOYSA-N 1 0 300.402 2.309 20 10 DECDRO C[NH+](C)CCN(Cc1cc(Cl)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001236924026 1138457388 /nfs/dbraw/zinc/45/73/88/1138457388.db2.gz OBPFUGPRGCZGBE-HNNXBMFYSA-N 1 0 311.857 2.161 20 10 DECDRO Cc1cc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)ccc1N(C)C ZINC001236974836 1138472465 /nfs/dbraw/zinc/47/24/65/1138472465.db2.gz DONFJXPIZRYLEL-CQSZACIVSA-N 1 0 301.356 2.397 20 10 DECDRO CCOc1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001237047566 1138487633 /nfs/dbraw/zinc/48/76/33/1138487633.db2.gz MHFWUJXZZYQWGQ-QGZVFWFLSA-N 1 0 320.433 2.088 20 10 DECDRO CC(C)c1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c(O)c1 ZINC001237056273 1138492283 /nfs/dbraw/zinc/49/22/83/1138492283.db2.gz WEWGJHGFINRYQT-KRWDZBQOSA-N 1 0 315.417 2.479 20 10 DECDRO CC[N@H+](CCn1ccnc1)Cc1cc(OC)cc(OC)c1O ZINC001237682482 1138755120 /nfs/dbraw/zinc/75/51/20/1138755120.db2.gz ZTUDRCHFOQBXOL-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)C2(CCCCC2)C1 ZINC001293999600 1139072479 /nfs/dbraw/zinc/07/24/79/1139072479.db2.gz GMWHMDXVUNWZEA-UHFFFAOYSA-N 1 0 304.390 2.188 20 10 DECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001319738311 1140700047 /nfs/dbraw/zinc/70/00/47/1140700047.db2.gz XREKPXXWYFWNLE-IRXDYDNUSA-N 1 0 301.434 2.291 20 10 DECDRO CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1Cl ZINC001248880444 1141829165 /nfs/dbraw/zinc/82/91/65/1141829165.db2.gz JMOZUXCRGKNYBR-XHDPSFHLSA-N 1 0 313.825 2.128 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)c(O)c1 ZINC001249217998 1141860584 /nfs/dbraw/zinc/86/05/84/1141860584.db2.gz VUPGCLZZUJYXFJ-UHFFFAOYSA-N 1 0 321.417 2.497 20 10 DECDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001324120222 1142011273 /nfs/dbraw/zinc/01/12/73/1142011273.db2.gz AYNSJPDPEJHJNI-HIFRSBDPSA-N 1 0 320.433 2.410 20 10 DECDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(N)cc2)cc1 ZINC001336285373 1142395129 /nfs/dbraw/zinc/39/51/29/1142395129.db2.gz LHYJQPQBSMVNKG-UHFFFAOYSA-N 1 0 314.385 2.453 20 10 DECDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001336933190 1142634592 /nfs/dbraw/zinc/63/45/92/1142634592.db2.gz MFZVXHKEMXLBSO-MRXNPFEDSA-N 1 0 316.449 2.475 20 10 DECDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337019008 1142661222 /nfs/dbraw/zinc/66/12/22/1142661222.db2.gz OUHXIOCEVKOTOH-MRXNPFEDSA-N 1 0 316.449 2.142 20 10 DECDRO Nc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC001337838200 1142804407 /nfs/dbraw/zinc/80/44/07/1142804407.db2.gz KESBLQUXHBICPN-IBGZPJMESA-N 1 0 311.429 2.432 20 10 DECDRO CC[NH+](CC)C[C@H](O)CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001253189853 1142851508 /nfs/dbraw/zinc/85/15/08/1142851508.db2.gz LPMMROSFTYTALU-LJQANCHMSA-N 1 0 319.493 2.421 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC001338791893 1142879183 /nfs/dbraw/zinc/87/91/83/1142879183.db2.gz BNXRFRSUXYACCN-MRXNPFEDSA-N 1 0 316.449 2.190 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2(C3CC[NH2+]CC3)CC2)cc1 ZINC001340790008 1143443048 /nfs/dbraw/zinc/44/30/48/1143443048.db2.gz HCWWNQFXWFAEFI-UHFFFAOYSA-N 1 0 301.434 2.149 20 10 DECDRO C[C@@H](NC(=O)c1cccc2c1OCC[NH2+]C2)c1ccccc1O ZINC001341541058 1143624432 /nfs/dbraw/zinc/62/44/32/1143624432.db2.gz MYEHHVAWXDVRMS-GFCCVEGCSA-N 1 0 312.369 2.365 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[NH2+]CCC23CCC3)cc1 ZINC001341688955 1143664057 /nfs/dbraw/zinc/66/40/57/1143664057.db2.gz NCUWSJHCVGIBSL-KRWDZBQOSA-N 1 0 315.461 2.491 20 10 DECDRO COC[C@H](C)N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001255561599 1143751457 /nfs/dbraw/zinc/75/14/57/1143751457.db2.gz DCHDCDKSRNSQJW-JBBXEZCESA-N 1 0 316.401 2.463 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1([NH3+])CC1 ZINC001262598205 1144322171 /nfs/dbraw/zinc/32/21/71/1144322171.db2.gz LSMNTOLXHGVKGG-UHFFFAOYSA-N 1 0 316.449 2.310 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)cc1 ZINC001263063454 1144353011 /nfs/dbraw/zinc/35/30/11/1144353011.db2.gz VTJPJWBVVZOISR-IEBWSBKVSA-N 1 0 323.440 2.006 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000378909343 1144365911 /nfs/dbraw/zinc/36/59/11/1144365911.db2.gz HMPPIJOLEABMHL-MRXNPFEDSA-N 1 0 303.450 2.097 20 10 DECDRO CC(C)[C@H](C(=O)NCc1cccc(O)c1O)[NH+]1CCCCC1 ZINC001263894314 1144421236 /nfs/dbraw/zinc/42/12/36/1144421236.db2.gz ASXQVQFQQMDPTJ-OAHLLOKOSA-N 1 0 306.406 2.225 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)COC(C)C)cc1C ZINC001265757824 1144737927 /nfs/dbraw/zinc/73/79/27/1144737927.db2.gz XUOOAANLNHAXQP-AWEZNQCLSA-N 1 0 308.422 2.023 20 10 DECDRO COCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001283950563 1145723335 /nfs/dbraw/zinc/72/33/35/1145723335.db2.gz QJIRJRNWGYWNJL-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO COc1c(O)c(C[NH2+][C@@H](C)c2nccnc2C)ccc1[N+](=O)[O-] ZINC001308928799 1147490062 /nfs/dbraw/zinc/49/00/62/1147490062.db2.gz UEHXQRWWPDODBM-JTQLQIEISA-N 1 0 318.333 2.258 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccn(C)c2)cc1C ZINC001317237738 1147681077 /nfs/dbraw/zinc/68/10/77/1147681077.db2.gz FXOJDFGDZMHPQA-AWEZNQCLSA-N 1 0 315.417 2.250 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCS(=O)(=O)C1CC1 ZINC001325580374 1147954724 /nfs/dbraw/zinc/95/47/24/1147954724.db2.gz BHRDGJDUBGAUAU-DGCLKSJQSA-N 1 0 309.431 2.416 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H](C)[NH2+]C ZINC001325681422 1147983444 /nfs/dbraw/zinc/98/34/44/1147983444.db2.gz LFUFGUQUTUPKND-CQSZACIVSA-N 1 0 306.454 2.282 20 10 DECDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001326626483 1148169060 /nfs/dbraw/zinc/16/90/60/1148169060.db2.gz IJMWBHRRJMKKMI-HOCLYGCPSA-N 1 0 302.418 2.405 20 10 DECDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001326890711 1148281706 /nfs/dbraw/zinc/28/17/06/1148281706.db2.gz GBTWDARDFLWQKZ-VIFPVBQESA-N 1 0 304.312 2.111 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000194159264 529780540 /nfs/dbraw/zinc/78/05/40/529780540.db2.gz GQVGVBPZZLRZIW-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1cc(Br)ccc1O ZINC000042560481 190671689 /nfs/dbraw/zinc/67/16/89/190671689.db2.gz DIVQITLQUOYELG-GZMMTYOYSA-N 1 0 315.211 2.330 20 10 DECDRO CCC[C@@H]1CN(Cc2cccc(OC)c2O)CC[N@@H+]1CCOC ZINC000091858599 193119206 /nfs/dbraw/zinc/11/92/06/193119206.db2.gz SCYDXCITJARDCQ-MRXNPFEDSA-N 1 0 322.449 2.334 20 10 DECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000092011945 193142823 /nfs/dbraw/zinc/14/28/23/193142823.db2.gz BURTUXDBSWBGKU-YOEHRIQHSA-N 1 0 315.417 2.380 20 10 DECDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092067414 193152443 /nfs/dbraw/zinc/15/24/43/193152443.db2.gz FQNORLVJLOMFDT-HNNXBMFYSA-N 1 0 309.406 2.418 20 10 DECDRO COC(=O)CCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000369371383 533383480 /nfs/dbraw/zinc/38/34/80/533383480.db2.gz VBSPKFUONITUKU-UHFFFAOYSA-N 1 0 306.406 2.161 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000372413549 533477558 /nfs/dbraw/zinc/47/75/58/533477558.db2.gz NUBKYYXRNPAYDF-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(O)c1O ZINC000272781660 130063919 /nfs/dbraw/zinc/06/39/19/130063919.db2.gz VHPGKFRXIALOHR-ZDUSSCGKSA-N 1 0 306.406 2.353 20 10 DECDRO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(O)c1O ZINC000288579222 131331624 /nfs/dbraw/zinc/33/16/24/131331624.db2.gz XHLUEBLAFHHHNV-QWHCGFSZSA-N 1 0 304.390 2.105 20 10 DECDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000289256534 131369737 /nfs/dbraw/zinc/36/97/37/131369737.db2.gz FKVZNSWZDZTCGJ-AWEZNQCLSA-N 1 0 306.406 2.282 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1C ZINC000292102239 131624439 /nfs/dbraw/zinc/62/44/39/131624439.db2.gz PHILBDRMESKGPM-UHFFFAOYSA-N 1 0 311.447 2.266 20 10 DECDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014285131 401811401 /nfs/dbraw/zinc/81/14/01/401811401.db2.gz RQFAYLLIVCIOCF-CYBMUJFWSA-N 1 0 305.399 2.164 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000093640182 402017670 /nfs/dbraw/zinc/01/76/70/402017670.db2.gz NEOYJOJSGWZJRS-UHFFFAOYSA-N 1 0 302.418 2.278 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820257 402021444 /nfs/dbraw/zinc/02/14/44/402021444.db2.gz FOFWKOWROPOSTM-SFHVURJKSA-N 1 0 302.418 2.136 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000092217799 402003406 /nfs/dbraw/zinc/00/34/06/402003406.db2.gz HUECVBYRVPCBLZ-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185331109 402343877 /nfs/dbraw/zinc/34/38/77/402343877.db2.gz VUFOIPDHJXTVFE-LBPRGKRZSA-N 1 0 311.447 2.356 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)c1O ZINC000177145340 402375106 /nfs/dbraw/zinc/37/51/06/402375106.db2.gz WKFSHOICEJYAGS-ZDUSSCGKSA-N 1 0 312.797 2.238 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000227439447 402332431 /nfs/dbraw/zinc/33/24/31/402332431.db2.gz IZGZVTOLXUMVGH-SECBINFHSA-N 1 0 314.101 2.168 20 10 DECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(N(C)C)cc2)C1(C)C ZINC000186584822 402444583 /nfs/dbraw/zinc/44/45/83/402444583.db2.gz KLIKAGXIAAZVNF-SJLPKXTDSA-N 1 0 306.450 2.408 20 10 DECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000166499687 402484947 /nfs/dbraw/zinc/48/49/47/402484947.db2.gz QXIDYIVURCKNQR-OAHLLOKOSA-N 1 0 323.440 2.374 20 10 DECDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000170789709 402525653 /nfs/dbraw/zinc/52/56/53/402525653.db2.gz QIWOZJISAXWEAU-RHSMWYFYSA-N 1 0 323.456 2.454 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2cccc(OCC)c2O)CC1 ZINC000179747329 402599722 /nfs/dbraw/zinc/59/97/22/402599722.db2.gz CGJCWHLTKXSZCU-UHFFFAOYSA-N 1 0 322.405 2.455 20 10 DECDRO CCCOc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c(O)c1 ZINC000171766521 402620425 /nfs/dbraw/zinc/62/04/25/402620425.db2.gz PCXHPALNJLIDCK-UHFFFAOYSA-N 1 0 322.449 2.381 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c(O)c1O ZINC000182534255 402697837 /nfs/dbraw/zinc/69/78/37/402697837.db2.gz HVOQUUYMQAERJE-UHFFFAOYSA-N 1 0 318.417 2.497 20 10 DECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000192500468 402732883 /nfs/dbraw/zinc/73/28/83/402732883.db2.gz QFFWELQOBUELGS-HNAYVOBHSA-N 1 0 318.461 2.410 20 10 DECDRO C[C@H]([NH2+]CCCCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000192932337 402757667 /nfs/dbraw/zinc/75/76/67/402757667.db2.gz SWSQWOFTFRDLMK-AWEZNQCLSA-N 1 0 310.413 2.476 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c(C)n1-c1ccccn1 ZINC000193568629 402773100 /nfs/dbraw/zinc/77/31/00/402773100.db2.gz PKXFSOAWZLVAGL-XJKSGUPXSA-N 1 0 312.417 2.359 20 10 DECDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000278438906 402866558 /nfs/dbraw/zinc/86/65/58/402866558.db2.gz KEJRUIJKKRXWLU-HNNXBMFYSA-N 1 0 303.450 2.268 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278533210 402867397 /nfs/dbraw/zinc/86/73/97/402867397.db2.gz VLBDRVJUVGHMIT-HNNXBMFYSA-N 1 0 300.406 2.193 20 10 DECDRO Cn1nccc1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278604496 402869007 /nfs/dbraw/zinc/86/90/07/402869007.db2.gz MBJDCJKBWQOFAC-QGZVFWFLSA-N 1 0 315.417 2.349 20 10 DECDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280275786 402982924 /nfs/dbraw/zinc/98/29/24/402982924.db2.gz MGZPQDOOIFTBJC-JTQLQIEISA-N 1 0 317.355 2.386 20 10 DECDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000280946048 403052626 /nfs/dbraw/zinc/05/26/26/403052626.db2.gz JFAZWZQNQMHKPB-HIFRSBDPSA-N 1 0 310.413 2.474 20 10 DECDRO C[C@@H](C(=O)NCCc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000269152607 403124103 /nfs/dbraw/zinc/12/41/03/403124103.db2.gz VHAUQYAAWNUFRA-HNNXBMFYSA-N 1 0 311.429 2.448 20 10 DECDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000276286764 403160810 /nfs/dbraw/zinc/16/08/10/403160810.db2.gz SOMMNOOXOMOLHR-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO Cc1ccc(O)c(CN2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000271059784 403259492 /nfs/dbraw/zinc/25/94/92/403259492.db2.gz DQWXOGLCEYXIRY-UHFFFAOYSA-N 1 0 311.385 2.054 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1F ZINC000271266269 403283859 /nfs/dbraw/zinc/28/38/59/403283859.db2.gz IOEPBKPPMRFNMV-UHFFFAOYSA-N 1 0 317.412 2.395 20 10 DECDRO Cc1cc(C[NH+]2CCN(c3cnn(C)c3)CC2)ccc1N(C)C ZINC000292767131 403377709 /nfs/dbraw/zinc/37/77/09/403377709.db2.gz JHSPCICFBPWGSB-UHFFFAOYSA-N 1 0 313.449 2.117 20 10 DECDRO O=C1NCCC[N@@H+](Cc2ccccc2O)[C@H]1Cc1ccccc1 ZINC000293687318 403538256 /nfs/dbraw/zinc/53/82/56/403538256.db2.gz QGLAUCOLGNYLSE-KRWDZBQOSA-N 1 0 310.397 2.325 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC000293852590 403580923 /nfs/dbraw/zinc/58/09/23/403580923.db2.gz DEAKQQYSNURJGK-MJICGBHWSA-N 1 0 316.401 2.055 20 10 DECDRO COc1cccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000293966622 403611858 /nfs/dbraw/zinc/61/18/58/403611858.db2.gz QGRIBRIGXOJJPQ-MRXNPFEDSA-N 1 0 301.386 2.436 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1N(C)C ZINC000294427816 403719281 /nfs/dbraw/zinc/71/92/81/403719281.db2.gz DUTZSLRPSWBBOK-INIZCTEOSA-N 1 0 316.449 2.097 20 10 DECDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000294754847 403729177 /nfs/dbraw/zinc/72/91/77/403729177.db2.gz IOBCPHGVMQPYQR-OAHLLOKOSA-N 1 0 315.369 2.468 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289911096 404007464 /nfs/dbraw/zinc/00/74/64/404007464.db2.gz JTDMPWWWWZFETJ-CVEARBPZSA-N 1 0 301.434 2.073 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000363480959 404163396 /nfs/dbraw/zinc/16/33/96/404163396.db2.gz FMJPUFHDTCVITA-OAHLLOKOSA-N 1 0 301.390 2.057 20 10 DECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(O)c1 ZINC000363870652 404232886 /nfs/dbraw/zinc/23/28/86/404232886.db2.gz WMTMKUYGHHLJCH-UONOGXRCSA-N 1 0 300.406 2.364 20 10 DECDRO Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c(O)c1O ZINC000378556768 405000394 /nfs/dbraw/zinc/00/03/94/405000394.db2.gz BCRCWRAGGABMNQ-UHFFFAOYSA-N 1 0 304.390 2.107 20 10 DECDRO COC(=O)[C@H]1CCCCCN1Cc1cc2c(cc1O)OCO2 ZINC000367806126 405160265 /nfs/dbraw/zinc/16/02/65/405160265.db2.gz YSXVTDOIJVDPNM-GFCCVEGCSA-N 1 0 307.346 2.039 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(O)c1O ZINC000371180554 227065140 /nfs/dbraw/zinc/06/51/40/227065140.db2.gz LEZJDAMUPMDNQB-CYBMUJFWSA-N 1 0 304.390 2.107 20 10 DECDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377887169 227203907 /nfs/dbraw/zinc/20/39/07/227203907.db2.gz DCILECXGYDMDLE-HNNXBMFYSA-N 1 0 301.434 2.387 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418105554 229222723 /nfs/dbraw/zinc/22/27/23/229222723.db2.gz ZWNHBELQFAEEHN-CHWSQXEVSA-N 1 0 314.433 2.379 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)c2c1c(F)ccc2O ZINC000834901856 649858658 /nfs/dbraw/zinc/85/86/58/649858658.db2.gz ACODTOUOPXLCOK-SMDDNHRTSA-N 1 0 308.397 2.126 20 10 DECDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000834898949 649858679 /nfs/dbraw/zinc/85/86/79/649858679.db2.gz CPCQZACWSUFINT-RKDXNWHRSA-N 1 0 315.211 2.330 20 10 DECDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)NC ZINC000834913981 649859679 /nfs/dbraw/zinc/85/96/79/649859679.db2.gz RTIGMVQGDOUDPU-KCJUWKMLSA-N 1 0 315.211 2.330 20 10 DECDRO C[C@@H]([N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000298732037 278303195 /nfs/dbraw/zinc/30/31/95/278303195.db2.gz VHMDDNONAJGDFM-CQSZACIVSA-N 1 0 303.450 2.489 20 10 DECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001348900814 1151207591 /nfs/dbraw/zinc/20/75/91/1151207591.db2.gz SXFUIQUCLXMATO-FMKPAKJESA-N 1 0 302.418 2.437 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2Cc3ccccc3NC2=O)c1 ZINC000527801211 337764826 /nfs/dbraw/zinc/76/48/26/337764826.db2.gz RDEITZXECNKVRK-INIZCTEOSA-N 1 0 312.369 2.444 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC001357740681 1152333594 /nfs/dbraw/zinc/33/35/94/1152333594.db2.gz QFGSRCAAVIZYCX-MRXNPFEDSA-N 1 0 318.465 2.426 20 10 DECDRO Cn1ccnc1C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC001330167104 1149058244 /nfs/dbraw/zinc/05/82/44/1149058244.db2.gz BONZGUUNUWSTIX-NSHDSACASA-N 1 0 305.403 2.282 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000368460748 534199454 /nfs/dbraw/zinc/19/94/54/534199454.db2.gz CBXGWULVSZQGNS-INIZCTEOSA-N 1 0 318.417 2.378 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1 ZINC000378438194 534201417 /nfs/dbraw/zinc/20/14/17/534201417.db2.gz JBGKRYUCXAYCKO-HNNXBMFYSA-N 1 0 300.358 2.449 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000835029123 649868836 /nfs/dbraw/zinc/86/88/36/649868836.db2.gz QOADPIGVPHNJOR-OICCZTGUSA-N 1 0 301.434 2.353 20 10 DECDRO CC(=O)N1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835033065 649869636 /nfs/dbraw/zinc/86/96/36/649869636.db2.gz BUHYLAYKJXCENX-PLNGDYQASA-N 1 0 301.434 2.366 20 10 DECDRO C[C@H](CN1CCCC1=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036091 649869979 /nfs/dbraw/zinc/86/99/79/649869979.db2.gz OFUNXIVVJIGGAK-ZDTYVGOBSA-N 1 0 301.434 2.366 20 10 DECDRO C[C@H](CN1CCOCC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035773 649870016 /nfs/dbraw/zinc/87/00/16/649870016.db2.gz LXNIAVIGTCNIIC-YIEVGGLXSA-N 1 0 303.450 2.076 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000180194034 520379385 /nfs/dbraw/zinc/37/93/85/520379385.db2.gz BZBDPQUVJDSUQD-HZPDHXFCSA-N 1 0 309.381 2.283 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1F ZINC000130071657 522176029 /nfs/dbraw/zinc/17/60/29/522176029.db2.gz NOCKKKZSGGUXQQ-UHFFFAOYSA-N 1 0 308.397 2.477 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000160281235 522776173 /nfs/dbraw/zinc/77/61/73/522776173.db2.gz GJFKDWLTTTUTFK-AWEZNQCLSA-N 1 0 320.433 2.327 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000157912107 524129379 /nfs/dbraw/zinc/12/93/79/524129379.db2.gz UMLXENBMPBJYDR-GDBMZVCRSA-N 1 0 312.417 2.346 20 10 DECDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCC(C)CC1 ZINC000180714530 524635570 /nfs/dbraw/zinc/63/55/70/524635570.db2.gz KPODRJXKMHBCOD-YVZNUBBCSA-N 1 0 318.417 2.348 20 10 DECDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000120280520 525355590 /nfs/dbraw/zinc/35/55/90/525355590.db2.gz GDPDEDVDMRCANN-ZDUSSCGKSA-N 1 0 301.390 2.426 20 10 DECDRO Nc1ccc(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000237895728 527475470 /nfs/dbraw/zinc/47/54/70/527475470.db2.gz NSEOEAUILQIXOL-MRXNPFEDSA-N 1 0 301.434 2.146 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@]12CCCO2 ZINC000378582559 527944282 /nfs/dbraw/zinc/94/42/82/527944282.db2.gz XLBHMPHQQGKIOU-RCCFBDPRSA-N 1 0 303.402 2.438 20 10 DECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1C ZINC000289377927 536318444 /nfs/dbraw/zinc/31/84/44/536318444.db2.gz CALSCTQBRTZYGY-SGMGOOAPSA-N 1 0 307.390 2.468 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccco3)CC2)cc1 ZINC000299330376 536698596 /nfs/dbraw/zinc/69/85/96/536698596.db2.gz KZKXWWHSYIJZOO-UHFFFAOYSA-N 1 0 315.417 2.200 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000835044155 649870796 /nfs/dbraw/zinc/87/07/96/649870796.db2.gz XGBNAROCDNUCHE-ONEGZZNKSA-N 1 0 315.377 2.160 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CCO)CCN(C)CC2)cc1 ZINC000835047739 649871483 /nfs/dbraw/zinc/87/14/83/649871483.db2.gz VNMKCISBOKTBHP-SNAWJCMRSA-N 1 0 317.477 2.202 20 10 DECDRO CCN1CCCN(C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835049164 649871737 /nfs/dbraw/zinc/87/17/37/649871737.db2.gz CBTFRHBMSRIDSY-ALCCZGGFSA-N 1 0 301.434 2.320 20 10 DECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000835089219 649877520 /nfs/dbraw/zinc/87/75/20/649877520.db2.gz XSWPJPZEFJBZII-HIFRSBDPSA-N 1 0 308.397 2.319 20 10 DECDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327951456 1148684366 /nfs/dbraw/zinc/68/43/66/1148684366.db2.gz HZTRORMDZHUEOD-GOSISDBHSA-N 1 0 304.434 2.118 20 10 DECDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770140 625431265 /nfs/dbraw/zinc/43/12/65/625431265.db2.gz QUPGWYZUJUXDKK-GFCCVEGCSA-N 1 0 317.393 2.311 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001026633533 625600929 /nfs/dbraw/zinc/60/09/29/625600929.db2.gz CJUOEFIARTWGKM-CYBMUJFWSA-N 1 0 312.360 2.207 20 10 DECDRO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c(O)c1O ZINC000177674188 623648355 /nfs/dbraw/zinc/64/83/55/623648355.db2.gz RANLGQMFAXPQLM-LBPRGKRZSA-N 1 0 306.406 2.258 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000891250507 623795148 /nfs/dbraw/zinc/79/51/48/623795148.db2.gz APGYUMDZBABRQE-ZBFHGGJFSA-N 1 0 321.490 2.225 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1F ZINC000891457170 624206776 /nfs/dbraw/zinc/20/67/76/624206776.db2.gz XLSLMYGMRLXAOX-MQMHXKEQSA-N 1 0 322.428 2.208 20 10 DECDRO Cc1cc(CN2CCO[C@@H](c3ccnn3C)C2)ccc1N(C)C ZINC000933541616 624484929 /nfs/dbraw/zinc/48/49/29/624484929.db2.gz QNCDOITWAYUDGJ-GOSISDBHSA-N 1 0 314.433 2.368 20 10 DECDRO Cc1cc(N)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000892025090 624749249 /nfs/dbraw/zinc/74/92/49/624749249.db2.gz LZSNETUYYCSJCO-ZDUSSCGKSA-N 1 0 313.405 2.377 20 10 DECDRO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892060376 624766982 /nfs/dbraw/zinc/76/69/82/624766982.db2.gz 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/nfs/dbraw/zinc/06/50/38/637065038.db2.gz PESUCFQJZPXLPV-ZDUSSCGKSA-N 1 0 317.389 2.132 20 10 DECDRO COc1ccncc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894600513 637119339 /nfs/dbraw/zinc/11/93/39/637119339.db2.gz BGANEHORRVVPGP-UHFFFAOYSA-N 1 0 304.346 2.103 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1F ZINC000894609014 637123806 /nfs/dbraw/zinc/12/38/06/637123806.db2.gz HLRPAGXXQJEUMC-UHFFFAOYSA-N 1 0 319.384 2.026 20 10 DECDRO C[C@@H](F)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895052152 637422478 /nfs/dbraw/zinc/42/24/78/637422478.db2.gz SKDUUZLSCRMGHU-CZUORRHYSA-N 1 0 324.444 2.403 20 10 DECDRO COc1cccc(CNC(=O)NCCCC[N@H+](C)C2CC2)c1O ZINC000838732794 637641904 /nfs/dbraw/zinc/64/19/04/637641904.db2.gz KAHGKWRXOPGURB-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cccc4nncn43)cc2)CC1 ZINC000895144203 637661887 /nfs/dbraw/zinc/66/18/87/637661887.db2.gz HFYFWTLHGZQGAU-UHFFFAOYSA-N 1 0 322.416 2.093 20 10 DECDRO Fc1cc(C[NH2+]Cc2ccncc2)cc(F)c1N1CCOCC1 ZINC000839146853 637788961 /nfs/dbraw/zinc/78/89/61/637788961.db2.gz XUXANRQTMCGUNT-UHFFFAOYSA-N 1 0 319.355 2.486 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)ccnc3N)C2)cc1 ZINC000895228317 637807566 /nfs/dbraw/zinc/80/75/66/637807566.db2.gz KLKOLDCZNIUOQS-CQSZACIVSA-N 1 0 312.417 2.349 20 10 DECDRO Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000839179033 637811906 /nfs/dbraw/zinc/81/19/06/637811906.db2.gz JZQYIBRBFNKNLH-QGZVFWFLSA-N 1 0 314.433 2.234 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1O ZINC000895436301 638022133 /nfs/dbraw/zinc/02/21/33/638022133.db2.gz AZWDHGXQLYVZLR-OAHLLOKOSA-N 1 0 306.406 2.200 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC(=O)N2CCc3ccccc32)c1 ZINC000895486722 638049223 /nfs/dbraw/zinc/04/92/23/638049223.db2.gz HYJJFVBDXBFRMQ-UHFFFAOYSA-N 1 0 312.369 2.080 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000840941018 650390134 /nfs/dbraw/zinc/39/01/34/650390134.db2.gz NBYVDFCDONXPTQ-MAUKXSAKSA-N 1 0 304.434 2.441 20 10 DECDRO Cc1cc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950063 650393657 /nfs/dbraw/zinc/39/36/57/650393657.db2.gz IZOQHWKIBBUOCS-NSHDSACASA-N 1 0 317.838 2.221 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H]1CCC(=O)N1 ZINC000840974964 650397938 /nfs/dbraw/zinc/39/79/38/650397938.db2.gz AOYBZCWFPOCLIR-CQSZACIVSA-N 1 0 307.413 2.381 20 10 DECDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000743811730 638175734 /nfs/dbraw/zinc/17/57/34/638175734.db2.gz WMTPILWJYRUXKJ-DZGCQCFKSA-N 1 0 304.438 2.035 20 10 DECDRO COc1ccc(C[NH+]2CCC(C(C)(C)O)CC2)c(O)c1OC ZINC000895849661 638233265 /nfs/dbraw/zinc/23/32/65/638233265.db2.gz YBDSFLRQBLHPIC-UHFFFAOYSA-N 1 0 309.406 2.392 20 10 DECDRO CC(C)Oc1ccc(N(C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841024105 650407612 /nfs/dbraw/zinc/40/76/12/650407612.db2.gz QAGQLOGOVPPQSQ-HNNXBMFYSA-N 1 0 319.449 2.107 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000895980182 638295104 /nfs/dbraw/zinc/29/51/04/638295104.db2.gz DHQJCZIPCSIYMZ-HNNXBMFYSA-N 1 0 307.413 2.381 20 10 DECDRO COc1cc(O)c(C[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841037193 650410794 /nfs/dbraw/zinc/41/07/94/650410794.db2.gz ZDZXQVSBMWERRP-UHFFFAOYSA-N 1 0 302.374 2.324 20 10 DECDRO COc1cc(Br)cc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841041655 650411553 /nfs/dbraw/zinc/41/15/53/650411553.db2.gz CVWSESZWYRTGDP-NSHDSACASA-N 1 0 315.211 2.005 20 10 DECDRO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000841075616 650423002 /nfs/dbraw/zinc/42/30/02/650423002.db2.gz SXKRWTOVNDMQNP-LLVKDONJSA-N 1 0 306.740 2.141 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395976 638502073 /nfs/dbraw/zinc/50/20/73/638502073.db2.gz WVLHXVWLCHZDKV-GUYCJALGSA-N 1 0 304.390 2.411 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1F ZINC000748241915 638534741 /nfs/dbraw/zinc/53/47/41/638534741.db2.gz GRKMRLUSXBDQAY-HNNXBMFYSA-N 1 0 307.413 2.382 20 10 DECDRO CC(C)C[C@@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841096045 650429500 /nfs/dbraw/zinc/42/95/00/650429500.db2.gz RPJSEPZZAMNLCQ-OAHLLOKOSA-N 1 0 309.429 2.125 20 10 DECDRO CCOc1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c(O)c1 ZINC000897027307 639131286 /nfs/dbraw/zinc/13/12/86/639131286.db2.gz RDJCSJJCRIXTNZ-HNNXBMFYSA-N 1 0 320.389 2.111 20 10 DECDRO COc1ccc(C[NH2+]CCNc2ccc(C)cn2)c(O)c1OC ZINC000897178614 639227209 /nfs/dbraw/zinc/22/72/09/639227209.db2.gz CBNKIHWCYVLTBT-UHFFFAOYSA-N 1 0 317.389 2.315 20 10 DECDRO COc1cc(O)c(C[NH2+]CCNc2ccc(C)cn2)cc1OC ZINC000897182213 639228264 /nfs/dbraw/zinc/22/82/64/639228264.db2.gz WXZKNGOKDWMJAR-UHFFFAOYSA-N 1 0 317.389 2.315 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1 ZINC000753625393 639322695 /nfs/dbraw/zinc/32/26/95/639322695.db2.gz QAJPCQSXCGNJSV-SCLBCKFNSA-N 1 0 322.424 2.444 20 10 DECDRO Oc1ccc2ccncc2c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000753807202 639345096 /nfs/dbraw/zinc/34/50/96/639345096.db2.gz DSVAHKJCPGQFPF-UHFFFAOYSA-N 1 0 323.400 2.444 20 10 DECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)cc(OC)c1O)CC2 ZINC000754725926 639464939 /nfs/dbraw/zinc/46/49/39/639464939.db2.gz GRZCZHXCNJVEEU-AWEZNQCLSA-N 1 0 319.401 2.484 20 10 DECDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000756096630 639624959 /nfs/dbraw/zinc/62/49/59/639624959.db2.gz BHLQAIYTEATAIN-WMLDXEAASA-N 1 0 305.491 2.280 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]CCCCCC(=O)[O-])cc2)CC1 ZINC000756299091 639645767 /nfs/dbraw/zinc/64/57/67/639645767.db2.gz PVHLCWUZUNNSIH-UHFFFAOYSA-N 1 0 319.449 2.173 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC(OC)CC2)c1 ZINC000756640501 639681275 /nfs/dbraw/zinc/68/12/75/639681275.db2.gz BSARVPZIIDXONH-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841654027 650530167 /nfs/dbraw/zinc/53/01/67/650530167.db2.gz LVOANYFTHTVHGN-INIZCTEOSA-N 1 0 304.438 2.069 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841652773 650530397 /nfs/dbraw/zinc/53/03/97/650530397.db2.gz GARQVJHITGGIGS-ZFWWWQNUSA-N 1 0 304.438 2.021 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000841651845 650530427 /nfs/dbraw/zinc/53/04/27/650530427.db2.gz BKXFTGZFPMTJFF-GOSISDBHSA-N 1 0 316.449 2.038 20 10 DECDRO CC(C)C[NH+]1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841674130 650536908 /nfs/dbraw/zinc/53/69/08/650536908.db2.gz FEZZDRFQBZDPOY-UHFFFAOYSA-N 1 0 318.465 2.231 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000729050471 640009727 /nfs/dbraw/zinc/00/97/27/640009727.db2.gz JSGMWITTZGFCAC-RYUDHWBXSA-N 1 0 309.410 2.101 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000841719310 650551383 /nfs/dbraw/zinc/55/13/83/650551383.db2.gz IQGLGKSKBZTLCX-MRXNPFEDSA-N 1 0 304.438 2.166 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000759865691 640129171 /nfs/dbraw/zinc/12/91/71/640129171.db2.gz GBXOBIGTNLGYAZ-UHFFFAOYSA-N 1 0 312.417 2.452 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1F ZINC000841761346 650558401 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CCC[NH2+]CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000841798426 650567055 /nfs/dbraw/zinc/56/70/55/650567055.db2.gz IUACQVSLMDDOKY-UHFFFAOYSA-N 1 0 324.444 2.471 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832571 650574925 /nfs/dbraw/zinc/57/49/25/650574925.db2.gz PRAXUZKRPWAZEY-MRXNPFEDSA-N 1 0 316.449 2.235 20 10 DECDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000841855274 650581496 /nfs/dbraw/zinc/58/14/96/650581496.db2.gz JQQYZAXJCQDGTB-CQSZACIVSA-N 1 0 308.397 2.319 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1OC ZINC000897510514 640519546 /nfs/dbraw/zinc/51/95/46/640519546.db2.gz VKNFNUNHAFXANX-UKRRQHHQSA-N 1 0 307.390 2.457 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881600 650591140 /nfs/dbraw/zinc/59/11/40/650591140.db2.gz SWDDNIDHFUQZDY-DZGCQCFKSA-N 1 0 304.438 2.255 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841921818 650603396 /nfs/dbraw/zinc/60/33/96/650603396.db2.gz 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CCc1cccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1O ZINC000898052058 641000452 /nfs/dbraw/zinc/00/04/52/641000452.db2.gz GKZUDPZWCYSTBL-GOSISDBHSA-N 1 0 315.417 2.484 20 10 DECDRO COC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768216515 641060034 /nfs/dbraw/zinc/06/00/34/641060034.db2.gz ZIKHRHUOTHBFLC-UHFFFAOYSA-N 1 0 308.397 2.273 20 10 DECDRO COc1ccc(C[NH2+]CCc2cccnc2C)c(O)c1OC ZINC000898249800 641064863 /nfs/dbraw/zinc/06/48/63/641064863.db2.gz FWOPUJBTDZMLNY-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO C[N@H+](CCOc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437657 641080887 /nfs/dbraw/zinc/08/08/87/641080887.db2.gz BXRDRZXRAISZAJ-KRWDZBQOSA-N 1 0 315.369 2.329 20 10 DECDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464130 641084698 /nfs/dbraw/zinc/08/46/98/641084698.db2.gz NMXFUGDQHCHVQS-XJKSGUPXSA-N 1 0 307.390 2.065 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnn(C(C)(C)C)c2)cc1 ZINC000841044768 641465527 /nfs/dbraw/zinc/46/55/27/641465527.db2.gz YUDXNIAYOLPBFW-QGZVFWFLSA-N 1 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O=S1(=O)CCc2cc(C[NH2+]Cc3cc(F)ccc3O)ccc21 ZINC000779094797 642462568 /nfs/dbraw/zinc/46/25/68/642462568.db2.gz UKWVHKVQNJPXLW-UHFFFAOYSA-N 1 0 321.373 2.151 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(C)n1-c1ccccn1 ZINC000842512919 650758075 /nfs/dbraw/zinc/75/80/75/650758075.db2.gz KJVDJZNYJILLFN-IBGZPJMESA-N 1 0 324.428 2.457 20 10 DECDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000779484515 642503903 /nfs/dbraw/zinc/50/39/03/642503903.db2.gz SKUIWNSZNMXSMM-DDJMYBDESA-N 1 0 316.401 2.198 20 10 DECDRO CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[NH2+]1 ZINC000900937101 642523772 /nfs/dbraw/zinc/52/37/72/642523772.db2.gz CJRAPCWTHQUHAN-UHFFFAOYSA-N 1 0 306.387 2.137 20 10 DECDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000783867470 643062625 /nfs/dbraw/zinc/06/26/25/643062625.db2.gz XLWVPDAZNIVZMA-VURMDHGXSA-N 1 0 304.390 2.054 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H](C)O1 ZINC000783969432 643074575 /nfs/dbraw/zinc/07/45/75/643074575.db2.gz VAHYHIPJKCAQID-JSGCOSHPSA-N 1 0 302.374 2.176 20 10 DECDRO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c(O)cc1C ZINC000902607072 643083024 /nfs/dbraw/zinc/08/30/24/643083024.db2.gz PHECSADNGNESIQ-GOEBONIOSA-N 1 0 321.417 2.337 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903024065 643229472 /nfs/dbraw/zinc/22/94/72/643229472.db2.gz KDWGEOPZLRDRIY-KGLIPLIRSA-N 1 0 301.438 2.471 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903067899 643236783 /nfs/dbraw/zinc/23/67/83/643236783.db2.gz XXZVFNQZXRYDPR-ZWKOTPCHSA-N 1 0 302.418 2.324 20 10 DECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000903077006 643241440 /nfs/dbraw/zinc/24/14/40/643241440.db2.gz XIGPNFJOWXPYCF-SJLPKXTDSA-N 1 0 322.424 2.444 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C)[C@H]3C)CC2)cc1 ZINC000903299858 643309830 /nfs/dbraw/zinc/30/98/30/643309830.db2.gz CCCRMMDXURYDRC-KBXCAEBGSA-N 1 0 303.450 2.346 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000903390865 643339068 /nfs/dbraw/zinc/33/90/68/643339068.db2.gz UUERQULITCVMFM-SWLSCSKDSA-N 1 0 307.390 2.390 20 10 DECDRO COc1ccc(N(C)CCN(C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903931358 643513288 /nfs/dbraw/zinc/51/32/88/643513288.db2.gz BSLOUDJRIVCOGP-GFCCVEGCSA-N 1 0 301.381 2.046 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000903974503 643531869 /nfs/dbraw/zinc/53/18/69/643531869.db2.gz PSIZTPYSPRQOCU-GHMZBOCLSA-N 1 0 313.239 2.490 20 10 DECDRO COc1cccc(O)c1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903981387 643535136 /nfs/dbraw/zinc/53/51/36/643535136.db2.gz CPQQQTPXRFFRHV-MNOVXSKESA-N 1 0 304.312 2.112 20 10 DECDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000788310029 643593276 /nfs/dbraw/zinc/59/32/76/643593276.db2.gz YIGXYHSUKAWBGY-CQSZACIVSA-N 1 0 306.406 2.021 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C2)cc1 ZINC000905290506 643859576 /nfs/dbraw/zinc/85/95/76/643859576.db2.gz NEHSKMABYDXLCW-LRDDRELGSA-N 1 0 314.376 2.127 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000793181363 644202918 /nfs/dbraw/zinc/20/29/18/644202918.db2.gz DGAQXQAQTQBQKA-INIZCTEOSA-N 1 0 317.389 2.070 20 10 DECDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000793543488 644270464 /nfs/dbraw/zinc/27/04/64/644270464.db2.gz UWXVEDYDNYZDDK-MRXNPFEDSA-N 1 0 322.474 2.200 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794410576 644413827 /nfs/dbraw/zinc/41/38/27/644413827.db2.gz BWEHPHXLRKXHOC-CQSZACIVSA-N 1 0 324.421 2.100 20 10 DECDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657776 644455020 /nfs/dbraw/zinc/45/50/20/644455020.db2.gz HNFPVKWHLGQVCL-UGSOOPFHSA-N 1 0 303.402 2.261 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)cc1C ZINC000795692878 644620343 /nfs/dbraw/zinc/62/03/43/644620343.db2.gz RJPAZOOZLKLCDB-ZBFHGGJFSA-N 1 0 320.433 2.004 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000795693508 644620397 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C3CC3)CCC2)cc1 ZINC000911667955 645770345 /nfs/dbraw/zinc/77/03/45/645770345.db2.gz UXWLOTBSOKOWQA-MRXNPFEDSA-N 1 0 301.434 2.449 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840108668 645975200 /nfs/dbraw/zinc/97/52/00/645975200.db2.gz WANQRQBSFYEHBB-AWEZNQCLSA-N 1 0 322.405 2.372 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c(O)cc1C ZINC000808219439 646057884 /nfs/dbraw/zinc/05/78/84/646057884.db2.gz UNBICSGSAQSJGB-OAHLLOKOSA-N 1 0 320.433 2.447 20 10 DECDRO O=C1NCCN1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000808736038 646135288 /nfs/dbraw/zinc/13/52/88/646135288.db2.gz HNYBUKRMVCJUNY-UHFFFAOYSA-N 1 0 315.373 2.013 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840185171 646286130 /nfs/dbraw/zinc/28/61/30/646286130.db2.gz DOMOANQTEBMCOM-HNNXBMFYSA-N 1 0 321.442 2.219 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1 ZINC000810159045 646333077 /nfs/dbraw/zinc/33/30/77/646333077.db2.gz 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Cc1cnc(CC[NH2+]Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000848562278 651470958 /nfs/dbraw/zinc/47/09/58/651470958.db2.gz CATHIURESWFCTI-UHFFFAOYSA-N 1 0 300.358 2.465 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000848566376 651472298 /nfs/dbraw/zinc/47/22/98/651472298.db2.gz WDZODYKBDHBNCN-FOSCPCJNSA-N 1 0 311.433 2.041 20 10 DECDRO CCc1cccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000848880675 651542398 /nfs/dbraw/zinc/54/23/98/651542398.db2.gz ILBPZRORKWSVMZ-UHFFFAOYSA-N 1 0 302.418 2.445 20 10 DECDRO CCc1cccc(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)c1O ZINC000848904073 651553842 /nfs/dbraw/zinc/55/38/42/651553842.db2.gz JZFPHYRRVGNHIV-UHFFFAOYSA-N 1 0 320.433 2.024 20 10 DECDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(CC)c1O ZINC000848904297 651554199 /nfs/dbraw/zinc/55/41/99/651554199.db2.gz PPXHLOFILGKLHD-HOTGVXAUSA-N 1 0 321.417 2.497 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000848911743 651557632 /nfs/dbraw/zinc/55/76/32/651557632.db2.gz 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COc1cc(C[NH2+]C[C@H]2COCCN2C)c(O)c(C(C)(C)C)c1 ZINC000858277778 652295517 /nfs/dbraw/zinc/29/55/17/652295517.db2.gz MPYSBWPRFJBRGK-AWEZNQCLSA-N 1 0 322.449 2.119 20 10 DECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000852211649 652364294 /nfs/dbraw/zinc/36/42/94/652364294.db2.gz NKFGLLDMAQKIJN-QAPCUYQASA-N 1 0 322.449 2.115 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)ccc1N(C)C ZINC000852498080 652410522 /nfs/dbraw/zinc/41/05/22/652410522.db2.gz YVTKQOHASRAZQF-HOTGVXAUSA-N 1 0 301.434 2.162 20 10 DECDRO O=C(C=C1CC[NH2+]CC1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000852888338 652475861 /nfs/dbraw/zinc/47/58/61/652475861.db2.gz JRFBWTXUROSBHV-UHFFFAOYSA-N 1 0 315.392 2.451 20 10 DECDRO COc1ccc(N2CC[C@@H](N[C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217680 652658585 /nfs/dbraw/zinc/65/85/85/652658585.db2.gz OPLGFWJTGFLPQW-RKVPGOIHSA-N 1 0 303.450 2.394 20 10 DECDRO COc1ccc(N2CC[C@H](N[C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217681 652658767 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CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1F ZINC000123239597 684123123 /nfs/dbraw/zinc/12/31/23/684123123.db2.gz IKTLSNVCOPXPGM-OAHLLOKOSA-N 1 0 319.424 2.479 20 10 DECDRO COc1cc(C[NH+]2CCN(c3ccccn3)CC2)c(O)cc1C ZINC000159473147 684316126 /nfs/dbraw/zinc/31/61/26/684316126.db2.gz UATVVIQJUSGAFB-UHFFFAOYSA-N 1 0 313.401 2.426 20 10 DECDRO COCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000193417624 685040722 /nfs/dbraw/zinc/04/07/22/685040722.db2.gz RIVJRSBTGAIPQC-HNNXBMFYSA-N 1 0 309.406 2.337 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861699545 686171940 /nfs/dbraw/zinc/17/19/40/686171940.db2.gz SLVCITXQRKZWSY-XJKSGUPXSA-N 1 0 304.438 2.035 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861702764 686171999 /nfs/dbraw/zinc/17/19/99/686171999.db2.gz XUWWJOQZYLNBSW-DZGCQCFKSA-N 1 0 305.422 2.454 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428442 686300531 /nfs/dbraw/zinc/30/05/31/686300531.db2.gz QIFZNLHKTRUULL-RTRPANQVSA-N 1 0 301.434 2.318 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH+](CCO)CCO)cc1 ZINC000862430013 686300935 /nfs/dbraw/zinc/30/09/35/686300935.db2.gz NPYXHLPNFLXDDW-UHFFFAOYSA-N 1 0 320.458 2.171 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862475817 686308489 /nfs/dbraw/zinc/30/84/89/686308489.db2.gz YDOUPKAFADYFND-HNNXBMFYSA-N 1 0 313.781 2.118 20 10 DECDRO Cc1cc(O)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1Cl ZINC000862518252 686314008 /nfs/dbraw/zinc/31/40/08/686314008.db2.gz AKAKNHFZEOYQMA-IYBDPMFKSA-N 1 0 313.825 2.167 20 10 DECDRO COc1ccc(O)c(C[NH2+]C2(c3cc(C)no3)CCOCC2)c1 ZINC000862542337 686318742 /nfs/dbraw/zinc/31/87/42/686318742.db2.gz MMTVYPRENGMDRJ-UHFFFAOYSA-N 1 0 318.373 2.493 20 10 DECDRO c1cc(N2CC([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)ncn1 ZINC000865749103 687321909 /nfs/dbraw/zinc/32/19/09/687321909.db2.gz NSZUBDFUICGNRN-UHFFFAOYSA-N 1 0 323.444 2.445 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1O ZINC000865781299 687332656 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C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000872198744 688949528 /nfs/dbraw/zinc/94/95/28/688949528.db2.gz ZNOAQDCLGPINPH-RBUKOAKNSA-N 1 0 318.461 2.288 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1OC ZINC000872257859 688966523 /nfs/dbraw/zinc/96/65/23/688966523.db2.gz ZLXHWDDMTMSTBO-GFCCVEGCSA-N 1 0 317.332 2.265 20 10 DECDRO CC[C@H](CCO)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873073797 689154549 /nfs/dbraw/zinc/15/45/49/689154549.db2.gz CCAXLXWPUCGZFL-OAHLLOKOSA-N 1 0 317.433 2.438 20 10 DECDRO COc1ccc(C[NH2+][C@@]2(C)CCOC2)cc1Cn1cccn1 ZINC000873098356 689158604 /nfs/dbraw/zinc/15/86/04/689158604.db2.gz PCOFEILAPTZXGT-KRWDZBQOSA-N 1 0 301.390 2.209 20 10 DECDRO COc1ccc(C[NH2+]CCC[C@H](C)O)cc1Cn1cccn1 ZINC000873115049 689160874 /nfs/dbraw/zinc/16/08/74/689160874.db2.gz BFYAFUDHPCDACG-AWEZNQCLSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1Cn1cccn1 ZINC000873127068 689164637 /nfs/dbraw/zinc/16/46/37/689164637.db2.gz HMBQRVLMDYFAEH-SFHVURJKSA-N 1 0 317.433 2.437 20 10 DECDRO [NH3+][C@H]1CCCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214426 689185637 /nfs/dbraw/zinc/18/56/37/689185637.db2.gz FJGQWPRQHBIZOF-KRWDZBQOSA-N 1 0 303.450 2.227 20 10 DECDRO CN(C)c1ccc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F ZINC000873226786 689187872 /nfs/dbraw/zinc/18/78/72/689187872.db2.gz BKVRVJLWFBZHAT-NWDGAFQWSA-N 1 0 319.346 2.461 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875092241 689570252 /nfs/dbraw/zinc/57/02/52/689570252.db2.gz PVECBCSZKTUCBD-KGLIPLIRSA-N 1 0 301.390 2.044 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000875109230 689573379 /nfs/dbraw/zinc/57/33/79/689573379.db2.gz QFNVLEZLOIPZEI-HUUCEWRRSA-N 1 0 301.390 2.044 20 10 DECDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000876507158 689841896 /nfs/dbraw/zinc/84/18/96/689841896.db2.gz WWNIOBAMXGHQFP-GWCFXTLKSA-N 1 0 317.355 2.457 20 10 DECDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876616998 689877761 /nfs/dbraw/zinc/87/77/61/689877761.db2.gz CWIHLPFMYGPRJW-MRXNPFEDSA-N 1 0 304.434 2.259 20 10 DECDRO CC1(C)COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876632394 689883001 /nfs/dbraw/zinc/88/30/01/689883001.db2.gz JVOGNEFDGCGHNU-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO C[C@@H]1CN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2O1 ZINC000876681847 689900214 /nfs/dbraw/zinc/90/02/14/689900214.db2.gz AWJKYAUELAWSAA-ACOKAEEESA-N 1 0 304.365 2.495 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H](C)O ZINC000876697317 689906879 /nfs/dbraw/zinc/90/68/79/689906879.db2.gz SFFXLDRYNWKQGU-OAHLLOKOSA-N 1 0 306.450 2.239 20 10 DECDRO COc1cccc([C@H]([NH3+])C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000876714059 689912192 /nfs/dbraw/zinc/91/21/92/689912192.db2.gz WCPWGZDFKRMJMU-KRWDZBQOSA-N 1 0 313.401 2.077 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876872521 689960312 /nfs/dbraw/zinc/96/03/12/689960312.db2.gz GDQWNDGFKZFXFS-MEODZPNASA-N 1 0 301.434 2.267 20 10 DECDRO Cc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)c(O)c1 ZINC000876920344 689973060 /nfs/dbraw/zinc/97/30/60/689973060.db2.gz OMLDIUCYKYSIGB-UHFFFAOYSA-N 1 0 300.406 2.351 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC[C@H]3CCCO3)cc2)CC1 ZINC000876923682 689974549 /nfs/dbraw/zinc/97/45/49/689974549.db2.gz HORZWQADDSWWNH-GOSISDBHSA-N 1 0 304.434 2.306 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000877022260 689999986 /nfs/dbraw/zinc/99/99/86/689999986.db2.gz RVYCDDYXKGNAIG-JKSUJKDBSA-N 1 0 312.417 2.359 20 10 DECDRO CO[C@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000877342745 690082847 /nfs/dbraw/zinc/08/28/47/690082847.db2.gz RLDSBTDCMNTXPK-MAUKXSAKSA-N 1 0 322.449 2.115 20 10 DECDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877442370 690114434 /nfs/dbraw/zinc/11/44/34/690114434.db2.gz FXTVWUSBTWOBKC-QFBILLFUSA-N 1 0 318.461 2.288 20 10 DECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562018 690152943 /nfs/dbraw/zinc/15/29/43/690152943.db2.gz VGQIXOONOIWPGR-VQIMIIECSA-N 1 0 318.461 2.241 20 10 DECDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000877569484 690155061 /nfs/dbraw/zinc/15/50/61/690155061.db2.gz RSJQFMCFZOBFBB-MRXNPFEDSA-N 1 0 309.431 2.101 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000877616609 690168292 /nfs/dbraw/zinc/16/82/92/690168292.db2.gz KWGMAJYIPUIZTN-INIZCTEOSA-N 1 0 302.418 2.437 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC000877615255 690168482 /nfs/dbraw/zinc/16/84/82/690168482.db2.gz OGEFKVPNHDAANJ-IYBDPMFKSA-N 1 0 308.372 2.345 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(CCO)(CCO)CC2)c1 ZINC000877691631 690193225 /nfs/dbraw/zinc/19/32/25/690193225.db2.gz NJRXJOUBQMLJMO-UHFFFAOYSA-N 1 0 323.433 2.138 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693874 690194174 /nfs/dbraw/zinc/19/41/74/690194174.db2.gz SWXBGKMJDMMAKT-UPONEAKYSA-N 1 0 313.703 2.456 20 10 DECDRO CCN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000878243074 690356371 /nfs/dbraw/zinc/35/63/71/690356371.db2.gz ZEAXAFPDEMYJKY-UHFFFAOYSA-N 1 0 304.312 2.235 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(c3nnc(N)o3)CC2)cc1 ZINC000878814210 690506177 /nfs/dbraw/zinc/50/61/77/690506177.db2.gz GGCWWWPQTUFJPB-UHFFFAOYSA-N 1 0 315.421 2.488 20 10 DECDRO Cc1cc(C[NH+]2CCC3(CC2)COCCO3)ccc1N(C)C ZINC000880547244 690924086 /nfs/dbraw/zinc/92/40/86/690924086.db2.gz HWSLWGAPCGCPLS-UHFFFAOYSA-N 1 0 304.434 2.442 20 10 DECDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000881428026 691095514 /nfs/dbraw/zinc/09/55/14/691095514.db2.gz BCUZJTSJGQUSAQ-KRWDZBQOSA-N 1 0 318.417 2.028 20 10 DECDRO C/C(=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000881852241 691173637 /nfs/dbraw/zinc/17/36/37/691173637.db2.gz ZRVBQAXXPNFAPQ-SQFISAMPSA-N 1 0 313.445 2.411 20 10 DECDRO Cc1ncnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000882879696 691377455 /nfs/dbraw/zinc/37/74/55/691377455.db2.gz IFRHKZLGZWJKCT-UHFFFAOYSA-N 1 0 311.433 2.457 20 10 DECDRO c1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)sn1 ZINC000883242654 691464573 /nfs/dbraw/zinc/46/45/73/691464573.db2.gz MXEAGEIAZHKYIH-UHFFFAOYSA-N 1 0 303.431 2.312 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883275207 691470408 /nfs/dbraw/zinc/47/04/08/691470408.db2.gz JVPDBSUNIORHNV-OCCSQVGLSA-N 1 0 305.374 2.496 20 10 DECDRO [NH3+][C@H](CC1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884304893 691705201 /nfs/dbraw/zinc/70/52/01/691705201.db2.gz FKYALSVELLWCIU-JKSUJKDBSA-N 1 0 318.417 2.027 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885940210 691967320 /nfs/dbraw/zinc/96/73/20/691967320.db2.gz DDUNOSUXVTYPSI-PKOBYXMFSA-N 1 0 316.445 2.382 20 10 DECDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886636298 692142619 /nfs/dbraw/zinc/14/26/19/692142619.db2.gz KNBZWGCBPXJHIE-KBPBESRZSA-N 1 0 311.445 2.454 20 10 DECDRO COC(=O)c1c(C[NH2+]C[C@H](C)CCO)c2cc(F)ccc2n1C ZINC000894308751 692980465 /nfs/dbraw/zinc/98/04/65/692980465.db2.gz FKDAZEIAYBQRSH-LLVKDONJSA-N 1 0 322.380 2.212 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2c1c(F)ccc2O ZINC000926947669 693533611 /nfs/dbraw/zinc/53/36/11/693533611.db2.gz KMXLQLBNRZZSAD-CJWQTGLVSA-N 1 0 307.365 2.473 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1O ZINC000926955327 693535855 /nfs/dbraw/zinc/53/58/55/693535855.db2.gz LFEORQHICUQXJW-LLVKDONJSA-N 1 0 315.435 2.122 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)cc1 ZINC000927152447 693561529 /nfs/dbraw/zinc/56/15/29/693561529.db2.gz USALDCFUBLAOCF-HIFRSBDPSA-N 1 0 313.449 2.479 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(N(C)C)cc1 ZINC000927152853 693561981 /nfs/dbraw/zinc/56/19/81/693561981.db2.gz VZPHHFMOTYZZRX-GDBMZVCRSA-N 1 0 313.449 2.479 20 10 DECDRO COc1ccc(C[N@H+](C)C2CCC(CO)CC2)c(O)c1OC ZINC001343171060 1150701501 /nfs/dbraw/zinc/70/15/01/1150701501.db2.gz SFOLWKYIIMARCS-UHFFFAOYSA-N 1 0 309.406 2.392 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001353532267 1151836662 /nfs/dbraw/zinc/83/66/62/1151836662.db2.gz XZNRGVIOHRVWOM-INIZCTEOSA-N 1 0 316.449 2.190 20 10 DECDRO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CCc2cc(Cl)ccc21 ZINC001355389907 1152007983 /nfs/dbraw/zinc/00/79/83/1152007983.db2.gz JUAVYHUJIKPRDZ-LLVKDONJSA-N 1 0 316.792 2.343 20 10 DECDRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(N)cc2)cc(Cl)n1 ZINC001356228116 1152065848 /nfs/dbraw/zinc/06/58/48/1152065848.db2.gz OKLODJOXHGWLOW-CQSZACIVSA-N 1 0 318.808 2.332 20 10 DECDRO Oc1cc(Br)ccc1CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580888016 1184136138 /nfs/dbraw/zinc/13/61/38/1184136138.db2.gz DQKXIKZTTHZRQE-PWSUYJOCSA-N 1 0 311.223 2.196 20 10 DECDRO COCCOc1ccc(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)cc1 ZINC001209433825 776716260 /nfs/dbraw/zinc/71/62/60/776716260.db2.gz VORBSGLRLPOWLY-CVEARBPZSA-N 1 0 304.434 2.490 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@@H](F)C3)cc2)CC1 ZINC001140301871 777043259 /nfs/dbraw/zinc/04/32/59/777043259.db2.gz CADNJVFGJKXYEB-CALCHBBNSA-N 1 0 309.404 2.320 20 10 DECDRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000694556536 777875480 /nfs/dbraw/zinc/87/54/80/777875480.db2.gz SNCBCALDMCFIGL-JTQLQIEISA-N 1 0 303.811 2.103 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccc(C)o2)cc1C ZINC001125842982 777969648 /nfs/dbraw/zinc/96/96/48/777969648.db2.gz DUZBFSISLLNELY-UHFFFAOYSA-N 1 0 316.401 2.354 20 10 DECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706834270 778031124 /nfs/dbraw/zinc/03/11/24/778031124.db2.gz RAOKJOOSGUUXAJ-XYZCENFISA-N 1 0 320.252 2.401 20 10 DECDRO Oc1ccc(CNc2ncc(F)c(C3CC[NH2+]CC3)n2)cc1O ZINC001169990466 785782963 /nfs/dbraw/zinc/78/29/63/785782963.db2.gz GQNIRFWVRWQNTC-UHFFFAOYSA-N 1 0 318.352 2.106 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000691463140 785812855 /nfs/dbraw/zinc/81/28/55/785812855.db2.gz OHVYKDWTMKGSFM-LBPRGKRZSA-N 1 0 311.223 2.481 20 10 DECDRO C[S@](=O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000691466766 785902416 /nfs/dbraw/zinc/90/24/16/785902416.db2.gz MTCVRCVCPDEOKX-INIZCTEOSA-N 1 0 306.225 2.013 20 10 DECDRO CO[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000691489571 786086221 /nfs/dbraw/zinc/08/62/21/786086221.db2.gz RXQPAXNJMWBLQA-ZDUSSCGKSA-N 1 0 316.195 2.050 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2cccnc2C)cc1C ZINC001133106409 788284770 /nfs/dbraw/zinc/28/47/70/788284770.db2.gz PYZGUUIOLZCGHG-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccn(C)c2C)cc1C ZINC001133504641 788458515 /nfs/dbraw/zinc/45/85/15/788458515.db2.gz QNBVAOLDKJSENO-UHFFFAOYSA-N 1 0 315.417 2.170 20 10 DECDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333842964 1150099148 /nfs/dbraw/zinc/09/91/48/1150099148.db2.gz UJDPKHRJJMVSAB-CRAIPNDOSA-N 1 0 315.465 2.230 20 10 DECDRO CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001071646437 789838442 /nfs/dbraw/zinc/83/84/42/789838442.db2.gz YKSUCUUTFFIRFG-OCCSQVGLSA-N 1 0 321.421 2.092 20 10 DECDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148590747 791778580 /nfs/dbraw/zinc/77/85/80/791778580.db2.gz OMYZBJSGHZCUCT-BETUJISGSA-N 1 0 322.405 2.186 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC001172181957 793365000 /nfs/dbraw/zinc/36/50/00/793365000.db2.gz JALYNYUZWGXBGE-SJORKVTESA-N 1 0 301.434 2.338 20 10 DECDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC001116689536 794979063 /nfs/dbraw/zinc/97/90/63/794979063.db2.gz XPSLHMFJNUIBDB-LBPRGKRZSA-N 1 0 307.346 2.039 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC001119465521 795305572 /nfs/dbraw/zinc/30/55/72/795305572.db2.gz NIGLNBNXGSRIQK-OAHLLOKOSA-N 1 0 304.438 2.166 20 10 DECDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC001121901197 795701747 /nfs/dbraw/zinc/70/17/47/795701747.db2.gz LTOJUMZDCBBCMA-CYBMUJFWSA-N 1 0 312.417 2.148 20 10 DECDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]2C1 ZINC001138126794 796167141 /nfs/dbraw/zinc/16/71/41/796167141.db2.gz KHAYOWKOASIRGR-ZSOGYDGISA-N 1 0 318.392 2.268 20 10 DECDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCN(C2COC2)CC1 ZINC001138214154 796183969 /nfs/dbraw/zinc/18/39/69/796183969.db2.gz UTTLMQQLSDOQGE-UHFFFAOYSA-N 1 0 315.461 2.193 20 10 DECDRO Oc1c(C[N@H+]2CCC[C@@H](O)CC2)cc2c3c1CCCN3CCC2 ZINC001138337671 796198943 /nfs/dbraw/zinc/19/89/43/796198943.db2.gz CNZAVLUVNFCGSQ-MRXNPFEDSA-N 1 0 316.445 2.438 20 10 DECDRO CN1CCCc2cc(C[N@@H+]3CCC(=O)N4CCC[C@H]4C3)ccc21 ZINC001138359204 796205525 /nfs/dbraw/zinc/20/55/25/796205525.db2.gz NKWIGXQVLUHHMJ-KRWDZBQOSA-N 1 0 313.445 2.266 20 10 DECDRO COc1cc(CN2CCOC[C@H]2C2CC2)cc(C[NH+](C)C)c1O ZINC001139259249 796351682 /nfs/dbraw/zinc/35/16/82/796351682.db2.gz OQQYFFJBQIWUSS-INIZCTEOSA-N 1 0 320.433 2.073 20 10 DECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140098876 796477589 /nfs/dbraw/zinc/47/75/89/796477589.db2.gz PZWDLZSJHZHEGK-PWSUYJOCSA-N 1 0 304.159 2.059 20 10 DECDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140285551 796501958 /nfs/dbraw/zinc/50/19/58/796501958.db2.gz OOAUKDZJDSLTFO-UHFFFAOYSA-N 1 0 316.445 2.449 20 10 DECDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140283430 796501965 /nfs/dbraw/zinc/50/19/65/796501965.db2.gz UMOTUAXGHDWOLQ-WBVHZDCISA-N 1 0 318.461 2.241 20 10 DECDRO CO[C@@H](C)C1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287462 796502612 /nfs/dbraw/zinc/50/26/12/796502612.db2.gz UBSCFWCMOGVBEI-AWEZNQCLSA-N 1 0 304.434 2.114 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC001140620479 796547036 /nfs/dbraw/zinc/54/70/36/796547036.db2.gz PSTPCKOSHCCDQJ-CQSZACIVSA-N 1 0 305.374 2.045 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC001140620989 796547105 /nfs/dbraw/zinc/54/71/05/796547105.db2.gz JYWHRLJJHTUESH-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1CN1CC2(C1)CCCOC2 ZINC001140660446 796552539 /nfs/dbraw/zinc/55/25/39/796552539.db2.gz RSZLKSLPQHSQSJ-UHFFFAOYSA-N 1 0 320.408 2.275 20 10 DECDRO Cc1cccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)n1 ZINC001140742806 796566117 /nfs/dbraw/zinc/56/61/17/796566117.db2.gz ZYGNFAHNFXSMGX-UHFFFAOYSA-N 1 0 313.401 2.432 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001140748566 796567199 /nfs/dbraw/zinc/56/71/99/796567199.db2.gz NQZDXWMZAHKFSN-KRWDZBQOSA-N 1 0 304.390 2.041 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001140850498 796582537 /nfs/dbraw/zinc/58/25/37/796582537.db2.gz NBVCDCHQDGHDRK-SFHVURJKSA-N 1 0 320.433 2.230 20 10 DECDRO Cc1nccnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001140937597 796601723 /nfs/dbraw/zinc/60/17/23/796601723.db2.gz POLRUUPBOWULEQ-UHFFFAOYSA-N 1 0 312.417 2.254 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)c(OC)c1 ZINC001141031441 796620872 /nfs/dbraw/zinc/62/08/72/796620872.db2.gz DOANERGYOZIBMG-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(OC)c1 ZINC001141029159 796621180 /nfs/dbraw/zinc/62/11/80/796621180.db2.gz KSAXCOAJPDXXDW-SNVBAGLBSA-N 1 0 313.394 2.439 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)[C@@H]1C ZINC001141029285 796621510 /nfs/dbraw/zinc/62/15/10/796621510.db2.gz NZOGRJRBTJIMJX-YPMHNXCESA-N 1 0 323.389 2.183 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@]1(C)O ZINC001141140113 796638098 /nfs/dbraw/zinc/63/80/98/796638098.db2.gz INPLREWRZSEFFH-KDOFPFPSSA-N 1 0 304.434 2.498 20 10 DECDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@@](O)(CF)C3)ccc21 ZINC001141140476 796638983 /nfs/dbraw/zinc/63/89/83/796638983.db2.gz MNBUAKNUEZSFQI-QGZVFWFLSA-N 1 0 308.397 2.202 20 10 DECDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156063 796640720 /nfs/dbraw/zinc/64/07/20/796640720.db2.gz PCFKIPASYTWWNX-ZDUSSCGKSA-N 1 0 306.406 2.178 20 10 DECDRO CC(C)N1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001141162919 796642640 /nfs/dbraw/zinc/64/26/40/796642640.db2.gz KXTALMFDYJKFKZ-UHFFFAOYSA-N 1 0 318.417 2.321 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1C[C@H]1C ZINC000840722740 796703562 /nfs/dbraw/zinc/70/35/62/796703562.db2.gz KRABWVDRACTWDO-CPUCHLNUSA-N 1 0 322.474 2.056 20 10 DECDRO Oc1cc(F)c(F)cc1CN1CCN(c2ccccn2)CC1 ZINC001142501826 796746546 /nfs/dbraw/zinc/74/65/46/796746546.db2.gz BKJQGZKBROSTQG-UHFFFAOYSA-N 1 0 305.328 2.388 20 10 DECDRO CC(C)(C)c1cccc(C[NH+]2CCN(CCCO)CC2)c1O ZINC001143104546 796802255 /nfs/dbraw/zinc/80/22/55/796802255.db2.gz VCEINZMHVGTXLX-UHFFFAOYSA-N 1 0 306.450 2.190 20 10 DECDRO COc1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1O ZINC001150543760 796951985 /nfs/dbraw/zinc/95/19/85/796951985.db2.gz SKQMHDKWZYLNPN-GXTWGEPZSA-N 1 0 306.406 2.137 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)COCC2CC2)cc1C ZINC001154990032 797654532 /nfs/dbraw/zinc/65/45/32/797654532.db2.gz IUTBMJXTNSBPNA-UHFFFAOYSA-N 1 0 320.433 2.026 20 10 DECDRO [NH3+]C[C@@]1(O)CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205663020 797717042 /nfs/dbraw/zinc/71/70/42/797717042.db2.gz GQWSXTQCSCEFBZ-AWEZNQCLSA-N 1 0 319.232 2.375 20 10 DECDRO CC[NH+](CC)CCCNC(=S)N1CCc2cccc(O)c2C1 ZINC001196679346 798086128 /nfs/dbraw/zinc/08/61/28/798086128.db2.gz XSAFMHWHVDKFEV-UHFFFAOYSA-N 1 0 321.490 2.357 20 10 DECDRO Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)nc1C1C[NH2+]C1 ZINC001156929248 798112021 /nfs/dbraw/zinc/11/20/21/798112021.db2.gz ZKJZWOFSFRWBOX-UHFFFAOYSA-N 1 0 311.433 2.174 20 10 DECDRO COc1cc(Cl)cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205789174 798120569 /nfs/dbraw/zinc/12/05/69/798120569.db2.gz XGXZCCUMTWJYHC-JTQLQIEISA-N 1 0 320.767 2.470 20 10 DECDRO Cc1nc(N2CCCC2)cc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001158994772 798500798 /nfs/dbraw/zinc/50/07/98/798500798.db2.gz VBRXEWQTTJBMGV-UHFFFAOYSA-N 1 0 300.362 2.409 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)[C@H]2CCCOC2)c1 ZINC000886360671 799395834 /nfs/dbraw/zinc/39/58/34/799395834.db2.gz ZKYDFFSYNQDKEE-BBRMVZONSA-N 1 0 309.406 2.322 20 10 DECDRO O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552073 800078173 /nfs/dbraw/zinc/07/81/73/800078173.db2.gz ZAXHOUOYGNKAMT-PXNSSMCTSA-N 1 0 322.408 2.498 20 10 DECDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552075 800079592 /nfs/dbraw/zinc/07/95/92/800079592.db2.gz ZAXHOUOYGNKAMT-YLJYHZDGSA-N 1 0 322.408 2.498 20 10 DECDRO CC[C@@H]1[N@H+](Cc2cccc(OC)c2O)CCC[C@]12CCC(=O)N2 ZINC001203591330 800087167 /nfs/dbraw/zinc/08/71/67/800087167.db2.gz HMPBXSWRKSPJHC-YJBOKZPZSA-N 1 0 318.417 2.424 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c1O ZINC001203601647 800087407 /nfs/dbraw/zinc/08/74/07/800087407.db2.gz FEFQHCJHJVGYNO-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c1O ZINC001203601719 800088310 /nfs/dbraw/zinc/08/83/10/800088310.db2.gz IEMKMMCUENYNFU-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1O ZINC001203615227 800090472 /nfs/dbraw/zinc/09/04/72/800090472.db2.gz NTUCLPHEMMOUNL-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203629920 800094619 /nfs/dbraw/zinc/09/46/19/800094619.db2.gz NLSYKEIDFNBPLM-UHFFFAOYSA-N 1 0 311.353 2.268 20 10 DECDRO CCOC(=O)NC1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634350 800095858 /nfs/dbraw/zinc/09/58/58/800095858.db2.gz AOVQHJSFKVENQH-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc1O ZINC001203878603 800139173 /nfs/dbraw/zinc/13/91/73/800139173.db2.gz HSKJNHNQRFVXAK-YJBOKZPZSA-N 1 0 319.401 2.258 20 10 DECDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204274091 800197917 /nfs/dbraw/zinc/19/79/17/800197917.db2.gz IAKALGLYZLIWIQ-XJKSGUPXSA-N 1 0 318.417 2.177 20 10 DECDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)ncn1 ZINC001204277927 800199296 /nfs/dbraw/zinc/19/92/96/800199296.db2.gz PKKWLQQYPGSIOM-HNNXBMFYSA-N 1 0 315.373 2.240 20 10 DECDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204277869 800199625 /nfs/dbraw/zinc/19/96/25/800199625.db2.gz MYTZZQXKADTXST-TZMCWYRMSA-N 1 0 320.389 2.149 20 10 DECDRO [NH3+][C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205124742 800300732 /nfs/dbraw/zinc/30/07/32/800300732.db2.gz ZHNVTEVVMNXDAE-HNNXBMFYSA-N 1 0 323.868 2.490 20 10 DECDRO CN1CCOc2cc(CN3CCCC[C@@](F)(C[NH3+])C3)ccc21 ZINC001206352055 800514741 /nfs/dbraw/zinc/51/47/41/800514741.db2.gz MWGPOXJVURDFKP-QGZVFWFLSA-N 1 0 307.413 2.168 20 10 DECDRO O=C(NCc1ccn2ccnc2c1)NCc1c(O)cccc1F ZINC001230253958 801375824 /nfs/dbraw/zinc/37/58/24/801375824.db2.gz FXKSUXLUNWRTAU-UHFFFAOYSA-N 1 0 314.320 2.178 20 10 DECDRO CCNC(=O)COC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231848344 801736593 /nfs/dbraw/zinc/73/65/93/801736593.db2.gz GLLVUZGLTUQRRW-UHFFFAOYSA-N 1 0 320.433 2.126 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001231850374 801737375 /nfs/dbraw/zinc/73/73/75/801737375.db2.gz OCVPTDWSHQQARI-GJZGRUSLSA-N 1 0 304.434 2.302 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001231853641 801737426 /nfs/dbraw/zinc/73/74/26/801737426.db2.gz NHGGDIMFCHERBN-UHFFFAOYSA-N 1 0 319.449 2.204 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc1Cl ZINC001231868246 801742406 /nfs/dbraw/zinc/74/24/06/801742406.db2.gz SGNSWFJJIKFQTO-CYBMUJFWSA-N 1 0 311.809 2.470 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc2ccccc2c1O ZINC001231880448 801743224 /nfs/dbraw/zinc/74/32/24/801743224.db2.gz GEDBJPPSHGJRNZ-INIZCTEOSA-N 1 0 300.402 2.308 20 10 DECDRO C[NH+](C)CCCN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231912567 801750058 /nfs/dbraw/zinc/75/00/58/801750058.db2.gz NTSPKXMENZYCML-UHFFFAOYSA-N 1 0 311.857 2.115 20 10 DECDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232262592 801831802 /nfs/dbraw/zinc/83/18/02/801831802.db2.gz KXIQXVGZDSJCAP-UHFFFAOYSA-N 1 0 320.776 2.453 20 10 DECDRO CN1CCC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)C1=O ZINC001232263637 801832735 /nfs/dbraw/zinc/83/27/35/801832735.db2.gz UHJBRQUCGQWMPE-UHFFFAOYSA-N 1 0 324.808 2.196 20 10 DECDRO CC[NH+]1C[C@H]2CN(Cc3cc(Cl)c(OC)cc3O)C[C@@H]2C1 ZINC001232271259 801836337 /nfs/dbraw/zinc/83/63/37/801836337.db2.gz TWJWYTIYBVSOIK-STQMWFEESA-N 1 0 310.825 2.438 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c2ccccc2n1C ZINC001232401880 801870800 /nfs/dbraw/zinc/87/08/00/801870800.db2.gz FKGDKVUQOLICTL-OLZOCXBDSA-N 1 0 316.401 2.168 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c(O)c1 ZINC001232838193 801969031 /nfs/dbraw/zinc/96/90/31/801969031.db2.gz HRNRMVLJPDVHGV-SFHVURJKSA-N 1 0 317.433 2.045 20 10 DECDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(O)c1 ZINC001232842216 801970909 /nfs/dbraw/zinc/97/09/09/801970909.db2.gz OKZQVQVFOVOKAI-DLBZAZTESA-N 1 0 321.440 2.466 20 10 DECDRO NC(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451490 802121178 /nfs/dbraw/zinc/12/11/78/802121178.db2.gz MMIUPKBSEKJVFM-UHFFFAOYSA-N 1 0 317.311 2.044 20 10 DECDRO COC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454812 802121207 /nfs/dbraw/zinc/12/12/07/802121207.db2.gz KVLNJCIMFRYNQF-LBPRGKRZSA-N 1 0 305.296 2.258 20 10 DECDRO COc1ccc(C[N@H+](C)Cc2cc(O)c(O)cc2O)c(OC)c1 ZINC001233486080 802127650 /nfs/dbraw/zinc/12/76/50/802127650.db2.gz XKXHKOQGQDWCFX-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001218330409 802168398 /nfs/dbraw/zinc/16/83/98/802168398.db2.gz LPFXQFODVSEDQS-FJNPEDAXSA-N 1 0 319.360 2.449 20 10 DECDRO Cc1cc(C)c(CNC(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)c(O)c1 ZINC001220825342 802502046 /nfs/dbraw/zinc/50/20/46/802502046.db2.gz CTYZOPKRQUSILS-IUODEOHRSA-N 1 0 308.422 2.156 20 10 DECDRO COCn1ncc(C)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC001330840792 1149312981 /nfs/dbraw/zinc/31/29/81/1149312981.db2.gz KMIFKMCYMRHZRX-GFCCVEGCSA-N 1 0 305.378 2.360 20 10 DECDRO COCn1ncc(C)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC001330840803 1149313117 /nfs/dbraw/zinc/31/31/17/1149313117.db2.gz KMIFKMCYMRHZRX-LBPRGKRZSA-N 1 0 305.378 2.360 20 10 DECDRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001331251005 1149402986 /nfs/dbraw/zinc/40/29/86/1149402986.db2.gz ALEDMBXJZJLLMC-FUHWJXTLSA-N 1 0 304.434 2.306 20 10 DECDRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001335511744 1150439129 /nfs/dbraw/zinc/43/91/29/1150439129.db2.gz ZBSFDSWEEVNXQZ-SWLSCSKDSA-N 1 0 304.438 2.192 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[NH2+]C)cc1F ZINC001345142433 1150867429 /nfs/dbraw/zinc/86/74/29/1150867429.db2.gz QNEFEOHVXPSYOB-ZDUSSCGKSA-N 1 0 324.444 2.469 20 10 DECDRO C[C@@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC001328556764 1148810358 /nfs/dbraw/zinc/81/03/58/1148810358.db2.gz MTPSQRMRJXVYNT-LBPRGKRZSA-N 1 0 310.417 2.031 20 10 DECDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC001524411932 1069940183 /nfs/dbraw/zinc/94/01/83/1069940183.db2.gz CYTVLSPLVUUMCF-KRWDZBQOSA-N 1 0 315.392 2.370 20 10 DECDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001621330526 1071057778 /nfs/dbraw/zinc/05/77/78/1071057778.db2.gz MDFOBUYBEUZJEE-TZMCWYRMSA-N 1 0 301.814 2.293 20 10 DECDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001462201085 1058779070 /nfs/dbraw/zinc/77/90/70/1058779070.db2.gz SCQNJTIQULORLH-TVQRCGJNSA-N 1 0 300.196 2.357 20 10 DECDRO Oc1cc(Cl)ccc1C[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001462504307 1058839311 /nfs/dbraw/zinc/83/93/11/1058839311.db2.gz LJQVLGOUAXFSMJ-UHFFFAOYSA-N 1 0 315.764 2.311 20 10 DECDRO COc1c(O)c(C[NH2+][C@@H]2CCCn3nccc32)ccc1[N+](=O)[O-] ZINC001462530807 1058843804 /nfs/dbraw/zinc/84/38/04/1058843804.db2.gz KGQIWJUZQGPFRJ-LLVKDONJSA-N 1 0 318.333 2.130 20 10 DECDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC001472331242 1060477086 /nfs/dbraw/zinc/47/70/86/1060477086.db2.gz PQOGAGPUOONKIH-HIFRSBDPSA-N 1 0 318.417 2.433 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccon2)cc1C ZINC001505567858 1060720238 /nfs/dbraw/zinc/72/02/38/1060720238.db2.gz XADFOZPICHJRQN-OLZOCXBDSA-N 1 0 317.389 2.288 20 10 DECDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001568921050 1065192227 /nfs/dbraw/zinc/19/22/27/1065192227.db2.gz NQKDTFDYWLICMQ-UHFFFAOYSA-N 1 0 320.433 2.365 20 10 DECDRO C[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCC[NH2+]C1 ZINC001576515593 1066626183 /nfs/dbraw/zinc/62/61/83/1066626183.db2.gz FFYULBALXIQLTB-OAHLLOKOSA-N 1 0 311.813 2.235 20 10 DECDRO CCN(C)c1ccc(CN2C[C@H](C)O[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001577657512 1066898319 /nfs/dbraw/zinc/89/83/19/1066898319.db2.gz MFZWWTQAFUCWAP-MAUKXSAKSA-N 1 0 303.450 2.096 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC3(C2)CC[NH2+]C3)cc1 ZINC001577699580 1066908439 /nfs/dbraw/zinc/90/84/39/1066908439.db2.gz LYBQKVWNHWFKOJ-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(C[NH3+])n1C ZINC001579524198 1067360111 /nfs/dbraw/zinc/36/01/11/1067360111.db2.gz JEUKSKQKUVDBJD-GFCCVEGCSA-N 1 0 314.433 2.349 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001570602373 1068031011 /nfs/dbraw/zinc/03/10/11/1068031011.db2.gz VUDBAPWTRIBXKL-QWHCGFSZSA-N 1 0 316.405 2.023 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccoc2)cc1C ZINC001267345386 1078782160 /nfs/dbraw/zinc/78/21/60/1078782160.db2.gz JUBLIOYQJCBWQP-UHFFFAOYSA-N 1 0 302.374 2.458 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC001573552036 1069037201 /nfs/dbraw/zinc/03/72/01/1069037201.db2.gz WWGDCFIZPBCNQT-CYBMUJFWSA-N 1 0 320.433 2.444 20 10 DECDRO CC(C)c1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC001329297166 1148882025 /nfs/dbraw/zinc/88/20/25/1148882025.db2.gz CYKALNHYIXEIRR-CQSZACIVSA-N 1 0 315.421 2.029 20 10 DECDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc2cccnc2c1O ZINC001557122851 1075056541 /nfs/dbraw/zinc/05/65/41/1075056541.db2.gz KFDVTGRKURNFPN-LBPRGKRZSA-N 1 0 301.390 2.144 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC001560312507 1075137164 /nfs/dbraw/zinc/13/71/64/1075137164.db2.gz KCVVDQUSNIRRBN-QGZVFWFLSA-N 1 0 304.434 2.430 20 10 DECDRO OC[C@@]1([C@@H]([NH2+]Cc2ccc(Cl)cc2O)C2CC2)CCCO1 ZINC001560855387 1075147045 /nfs/dbraw/zinc/14/70/45/1075147045.db2.gz XWCMOCJNZIHAAS-JKSUJKDBSA-N 1 0 311.809 2.455 20 10 DECDRO COC(=O)[C@@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCOC1 ZINC001561054118 1075150747 /nfs/dbraw/zinc/15/07/47/1075150747.db2.gz VBYUYSIRKWJGLJ-OAHLLOKOSA-N 1 0 313.781 2.023 20 10 DECDRO Oc1cccc(Br)c1CN[C@H]1C[NH2+]CCC1(F)F ZINC001580887984 1076014020 /nfs/dbraw/zinc/01/40/20/1076014020.db2.gz BXXWTWLBIZRSOA-NSHDSACASA-N 1 0 321.165 2.242 20 10 DECDRO COCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001267919987 1079602652 /nfs/dbraw/zinc/60/26/52/1079602652.db2.gz DXOSTDDVGHILFA-WKILWMFISA-N 1 0 320.433 2.167 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CCS(C)(=O)=O ZINC001650760499 1079772470 /nfs/dbraw/zinc/77/24/70/1079772470.db2.gz CBUJVAULQHVADC-LBPRGKRZSA-N 1 0 308.447 2.400 20 10 DECDRO C[NH+]1CCN(c2ccc(CNCc3ncccc3F)cc2)CC1 ZINC001657301621 1080168921 /nfs/dbraw/zinc/16/89/21/1080168921.db2.gz LOBQZQLOFBANBM-UHFFFAOYSA-N 1 0 314.408 2.262 20 10 DECDRO CS[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657627091 1080180565 /nfs/dbraw/zinc/18/05/65/1080180565.db2.gz IDSGFKMERDOERZ-ZDUSSCGKSA-N 1 0 311.470 2.419 20 10 DECDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)c1 ZINC001658378644 1080206250 /nfs/dbraw/zinc/20/62/50/1080206250.db2.gz FDXGTFDZAHQVRG-GJZGRUSLSA-N 1 0 306.450 2.403 20 10 DECDRO OCCC1(CCO)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001658718923 1080215267 /nfs/dbraw/zinc/21/52/67/1080215267.db2.gz MMFXDBJWDIRUQL-UHFFFAOYSA-N 1 0 313.825 2.393 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC001659828158 1080254177 /nfs/dbraw/zinc/25/41/77/1080254177.db2.gz VUTPAAQZNKDHSB-HDICACEKSA-N 1 0 307.434 2.328 20 10 DECDRO COC(C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1O)OC ZINC001237058021 1080410850 /nfs/dbraw/zinc/41/08/50/1080410850.db2.gz HPEWJVXSKPJXGZ-UHFFFAOYSA-N 1 0 323.311 2.384 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC001662318868 1080596228 /nfs/dbraw/zinc/59/62/28/1080596228.db2.gz HSDMTYDHOOBMRP-LSDHHAIUSA-N 1 0 302.418 2.221 20 10 DECDRO CC[NH2+]C[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001481953116 1080636029 /nfs/dbraw/zinc/63/60/29/1080636029.db2.gz VONIDMBVRJVTQL-MRXNPFEDSA-N 1 0 317.393 2.357 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]([S@](C)=O)C2)cc1F ZINC001663405855 1080741648 /nfs/dbraw/zinc/74/16/48/1080741648.db2.gz UMIHHZAGCVTPTB-IDFMNXDXSA-N 1 0 316.417 2.420 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(OC)cc3O)[C@@H]2C1 ZINC001664450186 1080911539 /nfs/dbraw/zinc/91/15/39/1080911539.db2.gz CCRMWPWWIOXJTE-QHSBEEBCSA-N 1 0 305.374 2.078 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(OC)cc3O)[C@@H]2C1 ZINC001664450185 1080911665 /nfs/dbraw/zinc/91/16/65/1080911665.db2.gz CCRMWPWWIOXJTE-GBOPCIDUSA-N 1 0 305.374 2.078 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc3oc(=O)oc3c2)c1O ZINC001664594891 1080930500 /nfs/dbraw/zinc/93/05/00/1080930500.db2.gz HTQXZCHCIRPZEZ-UHFFFAOYSA-N 1 0 301.298 2.390 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]([S@@](C)=O)C2)c1O ZINC001665837441 1081089013 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DECDRO COc1cccc(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)c1O ZINC001277452401 1083978759 /nfs/dbraw/zinc/97/87/59/1083978759.db2.gz UCUNMHCJJCNXHB-UHFFFAOYSA-N 1 0 318.417 2.328 20 10 DECDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902865 1084454814 /nfs/dbraw/zinc/45/48/14/1084454814.db2.gz INZJHPPAIZBIOM-GOSISDBHSA-N 1 0 318.417 2.322 20 10 DECDRO CN(C1COC1)C1C[NH+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235677510 1084496586 /nfs/dbraw/zinc/49/65/86/1084496586.db2.gz FGZKVWWBLGVJCJ-UHFFFAOYSA-N 1 0 304.434 2.205 20 10 DECDRO CC[C@H]1C[NH2+]CCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001235771444 1084522787 /nfs/dbraw/zinc/52/27/87/1084522787.db2.gz LDYYCNNVBSCTBE-INIZCTEOSA-N 1 0 315.461 2.275 20 10 DECDRO C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)[C@@H](C)C[NH2+]1 ZINC001236078871 1084607030 /nfs/dbraw/zinc/60/70/30/1084607030.db2.gz JJENSDYHBBHUGA-UWVGGRQHSA-N 1 0 304.312 2.473 20 10 DECDRO Cc1cc(O)c(CN2CC3(CCN3CC[NH+](C)C)C2)cc1Cl ZINC001276372183 1085855004 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COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](C)OC)C2)cc1C ZINC001275204315 1091613868 /nfs/dbraw/zinc/61/38/68/1091613868.db2.gz JNRWASUOFBFGHO-JEYLPNPQSA-N 1 0 320.433 2.023 20 10 DECDRO Oc1ccc(O)c(CN2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)c1 ZINC001275419335 1091732678 /nfs/dbraw/zinc/73/26/78/1091732678.db2.gz VGQBZSVINUSELD-UHFFFAOYSA-N 1 0 313.401 2.134 20 10 DECDRO CN1CCO[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]21 ZINC001276287027 1091765253 /nfs/dbraw/zinc/76/52/53/1091765253.db2.gz KYQJKPJMVBYMCL-RDJZCZTQSA-N 1 0 304.434 2.205 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3C(=O)NC(C)C)C2)c1O ZINC001275968905 1092398914 /nfs/dbraw/zinc/39/89/14/1092398914.db2.gz SBCJEBNNKGAEOF-UHFFFAOYSA-N 1 0 317.433 2.387 20 10 DECDRO CC(C)(C)c1ccc(CN2CC(O)([C@H]3CCCC[NH2+]3)C2)c(O)c1 ZINC001236166849 1138336311 /nfs/dbraw/zinc/33/63/11/1138336311.db2.gz UAIOCGVLMCUXHV-QGZVFWFLSA-N 1 0 318.461 2.379 20 10 DECDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001236670580 1138393025 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ZINC001236803981 1138433739 /nfs/dbraw/zinc/43/37/39/1138433739.db2.gz RXFIXTUZHLSTGM-SNVBAGLBSA-N 1 0 313.781 2.439 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1O ZINC001236827199 1138441150 /nfs/dbraw/zinc/44/11/50/1138441150.db2.gz RAQXSAAFYQHCHZ-ROUUACIJSA-N 1 0 301.386 2.111 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCCO1 ZINC001236837088 1138441842 /nfs/dbraw/zinc/44/18/42/1138441842.db2.gz NDBWWFYLYMECGP-KRWDZBQOSA-N 1 0 315.369 2.309 20 10 DECDRO Oc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001236842509 1138443434 /nfs/dbraw/zinc/44/34/34/1138443434.db2.gz WOKXCLWUZZJQPK-GOSISDBHSA-N 1 0 312.413 2.452 20 10 DECDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2C(F)(F)F)c(Cl)c1 ZINC001236980594 1138473265 /nfs/dbraw/zinc/47/32/65/1138473265.db2.gz ITVSJGFDEPWKTJ-LBPRGKRZSA-N 1 0 324.730 2.390 20 10 DECDRO CN1CCOc2cc(CN3Cc4ccccc4C[C@H]3C[NH3+])ccc21 ZINC001237027639 1138482989 /nfs/dbraw/zinc/48/29/89/1138482989.db2.gz JPTGIKCRFYJGGO-SFHVURJKSA-N 1 0 323.440 2.401 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)c1 ZINC001237043872 1138487766 /nfs/dbraw/zinc/48/77/66/1138487766.db2.gz DIFMJZIWCLAHAU-UHFFFAOYSA-N 1 0 305.374 2.320 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)c1 ZINC001237047101 1138488167 /nfs/dbraw/zinc/48/81/67/1138488167.db2.gz RHSWNLQXKWZYIQ-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO OC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237057303 1138492414 /nfs/dbraw/zinc/49/24/14/1138492414.db2.gz QITHSKCZZIEESC-SNVBAGLBSA-N 1 0 305.296 2.148 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)CCCO1 ZINC001237055821 1138492847 /nfs/dbraw/zinc/49/28/47/1138492847.db2.gz QRPLBYSTAXEZJT-INIZCTEOSA-N 1 0 307.390 2.280 20 10 DECDRO OCCCC[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237204966 1138531893 /nfs/dbraw/zinc/53/18/93/1138531893.db2.gz JJGBZTUNVMBIQO-UHFFFAOYSA-N 1 0 318.339 2.480 20 10 DECDRO Cc1cccc(O)c1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001237486887 1138654001 /nfs/dbraw/zinc/65/40/01/1138654001.db2.gz VFKMUWGQQIGLOM-GJZGRUSLSA-N 1 0 310.401 2.059 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c(OC)c1 ZINC001237675444 1138748145 /nfs/dbraw/zinc/74/81/45/1138748145.db2.gz XOWBJNDJHIMLMB-SWLSCSKDSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(O)c(OC)c1 ZINC001237678367 1138752288 /nfs/dbraw/zinc/75/22/88/1138752288.db2.gz YEGLBSGITZRDCZ-SMDDNHRTSA-N 1 0 305.374 2.210 20 10 DECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCCO1 ZINC001237689795 1138758097 /nfs/dbraw/zinc/75/80/97/1138758097.db2.gz QBDWGHZJGAHFTP-CYBMUJFWSA-N 1 0 313.781 2.118 20 10 DECDRO CC[NH+](CC)CCn1cc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001239194566 1138973913 /nfs/dbraw/zinc/97/39/13/1138973913.db2.gz JVQBXZSIBNLVQH-UHFFFAOYSA-N 1 0 312.421 2.482 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[N@@H+]2CC[C@H](F)C2)c1 ZINC001294936626 1139308293 /nfs/dbraw/zinc/30/82/93/1139308293.db2.gz IDFHLSOVIWAWGX-NEPJUHHUSA-N 1 0 310.369 2.012 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCO1 ZINC001319717110 1140685897 /nfs/dbraw/zinc/68/58/97/1140685897.db2.gz UQQXERJCQDSCRY-HNNXBMFYSA-N 1 0 321.440 2.188 20 10 DECDRO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001320397994 1140860458 /nfs/dbraw/zinc/86/04/58/1140860458.db2.gz NECQPLNXRHNYSX-CYBMUJFWSA-N 1 0 316.449 2.409 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C(N)=O)C1 ZINC001320486231 1140870839 /nfs/dbraw/zinc/87/08/39/1140870839.db2.gz KNSPYMWIWHQUDY-PBHICJAKSA-N 1 0 301.434 2.373 20 10 DECDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320667670 1140892090 /nfs/dbraw/zinc/89/20/90/1140892090.db2.gz CBFFBPATJUIZRW-LSDHHAIUSA-N 1 0 308.397 2.319 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2F)CC1 ZINC001320916247 1140987834 /nfs/dbraw/zinc/98/78/34/1140987834.db2.gz CQEASRMADZAABY-INIZCTEOSA-N 1 0 321.440 2.094 20 10 DECDRO COc1ccc(N2CCN([C@H]3CC[C@H](C)[NH2+]C3)CC2)c(C)c1 ZINC001246936635 1141149990 /nfs/dbraw/zinc/14/99/90/1141149990.db2.gz WYJGKNRVTJHMIP-HOTGVXAUSA-N 1 0 303.450 2.266 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001321551152 1141306383 /nfs/dbraw/zinc/30/63/83/1141306383.db2.gz OEZGQGYXAVNKCK-DLBZAZTESA-N 1 0 304.434 2.021 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccncc2)c(O)c1 ZINC001249171792 1141856698 /nfs/dbraw/zinc/85/66/98/1141856698.db2.gz FWKGBNYMKQRGBW-UHFFFAOYSA-N 1 0 300.358 2.135 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001249178803 1141856978 /nfs/dbraw/zinc/85/69/78/1141856978.db2.gz VXUMLBHJOFMMQZ-WMLDXEAASA-N 1 0 319.401 2.109 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001249178452 1141857373 /nfs/dbraw/zinc/85/73/73/1141857373.db2.gz RQTXQGNXTUOXTG-HOCLYGCPSA-N 1 0 313.344 2.380 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)O ZINC001324222275 1142034067 /nfs/dbraw/zinc/03/40/67/1142034067.db2.gz NKSJZRURUZQXER-QGZVFWFLSA-N 1 0 323.456 2.217 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccns2)[NH+](C)C)cc1 ZINC001336115416 1142360671 /nfs/dbraw/zinc/36/06/71/1142360671.db2.gz ZQTNEOBGJRNLDZ-CQSZACIVSA-N 1 0 318.446 2.242 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(O)c1 ZINC001337026976 1142663471 /nfs/dbraw/zinc/66/34/71/1142663471.db2.gz ZWVJSPLCFYNKRU-CQSZACIVSA-N 1 0 318.417 2.282 20 10 DECDRO CN(C)c1ccc(CNC(=O)N(C)CCCCCC[NH3+])cc1 ZINC001337840218 1142804320 /nfs/dbraw/zinc/80/43/20/1142804320.db2.gz MCQAVVNLNQRJTF-UHFFFAOYSA-N 1 0 306.454 2.413 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)COCc2ccco2)cc1C ZINC001252658543 1142804517 /nfs/dbraw/zinc/80/45/17/1142804517.db2.gz OBSQKXLBQURBKL-HNNXBMFYSA-N 1 0 305.374 2.264 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001338672861 1142870056 /nfs/dbraw/zinc/87/00/56/1142870056.db2.gz FJVPVMVZUSXJOT-RHSMWYFYSA-N 1 0 318.465 2.281 20 10 DECDRO CCOC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC001254395097 1143100195 /nfs/dbraw/zinc/10/01/95/1143100195.db2.gz CDEAIVAJPMXRGP-CYBMUJFWSA-N 1 0 306.406 2.070 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001254578803 1143262319 /nfs/dbraw/zinc/26/23/19/1143262319.db2.gz NQTDRDGSEBQESO-ZDUSSCGKSA-N 1 0 300.314 2.263 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C2=CCC[NH2+]CC2)cc1 ZINC001340826065 1143456410 /nfs/dbraw/zinc/45/64/10/1143456410.db2.gz XBKBCMZLGCPCTK-UHFFFAOYSA-N 1 0 301.434 2.459 20 10 DECDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc(N(C)C)cc1C ZINC001340870200 1143475061 /nfs/dbraw/zinc/47/50/61/1143475061.db2.gz BMBTWKZRJILWJP-AWEZNQCLSA-N 1 0 309.479 2.148 20 10 DECDRO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1ccccc1O)(C3)C2 ZINC001341703501 1143672181 /nfs/dbraw/zinc/67/21/81/1143672181.db2.gz PONPPCKGTHXODP-NLKGSNSHSA-N 1 0 300.402 2.306 20 10 DECDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255588749 1143770855 /nfs/dbraw/zinc/77/08/55/1143770855.db2.gz OQUSNJGODMEZDD-CYBMUJFWSA-N 1 0 322.405 2.239 20 10 DECDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001255856782 1143810869 /nfs/dbraw/zinc/81/08/69/1143810869.db2.gz XIOKUIKSSMQLMY-APPDUMDISA-N 1 0 305.349 2.491 20 10 DECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC001262052677 1144288133 /nfs/dbraw/zinc/28/81/33/1144288133.db2.gz CPZVNWKVEQWYRN-KSSFIOAISA-N 1 0 319.401 2.484 20 10 DECDRO C[C@@H]([NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC001262263034 1144302464 /nfs/dbraw/zinc/30/24/64/1144302464.db2.gz DVURTYPNTNRTFT-RHSMWYFYSA-N 1 0 306.450 2.459 20 10 DECDRO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC001308774329 1147486212 /nfs/dbraw/zinc/48/62/12/1147486212.db2.gz AJNMSLCFDIXEKH-GASCZTMLSA-N 1 0 306.450 2.403 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001317238433 1147681035 /nfs/dbraw/zinc/68/10/35/1147681035.db2.gz ITNIJFUNSMBIQT-YPMHNXCESA-N 1 0 312.360 2.253 20 10 DECDRO CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324832118 1147851214 /nfs/dbraw/zinc/85/12/14/1147851214.db2.gz GSAYSAFQJIVMBE-MRXNPFEDSA-N 1 0 317.393 2.311 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000079408588 185169561 /nfs/dbraw/zinc/16/95/61/185169561.db2.gz IZYIGRGXECDFRR-HNNXBMFYSA-N 1 0 318.465 2.284 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000090410746 185294811 /nfs/dbraw/zinc/29/48/11/185294811.db2.gz OUVWMFXSNXSBTO-HIFRSBDPSA-N 1 0 304.438 2.207 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C[NH3+])cc2)CC1 ZINC001353549794 1151838060 /nfs/dbraw/zinc/83/80/60/1151838060.db2.gz WRDKJLQLLOYYRE-NVXWUHKLSA-N 1 0 301.434 2.134 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc[nH]3)C1)OCO2 ZINC000092073571 355617310 /nfs/dbraw/zinc/61/73/10/355617310.db2.gz QICYOYNDIWSYAR-NSHDSACASA-N 1 0 301.346 2.224 20 10 DECDRO OCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000305723071 356402118 /nfs/dbraw/zinc/40/21/18/356402118.db2.gz DNEZLPNRUXWDQR-UHFFFAOYSA-N 1 0 300.196 2.359 20 10 DECDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4c3cccc4F)c21 ZINC000592560163 357901882 /nfs/dbraw/zinc/90/18/82/357901882.db2.gz XPGIJABVMURABK-NSHDSACASA-N 1 0 314.364 2.061 20 10 DECDRO COc1cccc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000369670226 533476915 /nfs/dbraw/zinc/47/69/15/533476915.db2.gz KFFQPGVGZPVDEE-UHFFFAOYSA-N 1 0 315.373 2.234 20 10 DECDRO COc1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000372128635 533481639 /nfs/dbraw/zinc/48/16/39/533481639.db2.gz NYXWTAMWVWSPQF-UHFFFAOYSA-N 1 0 307.390 2.172 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000273404497 130117731 /nfs/dbraw/zinc/11/77/31/130117731.db2.gz ODUYCVSGDVXNOE-QWHCGFSZSA-N 1 0 323.458 2.356 20 10 DECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000274499646 130241032 /nfs/dbraw/zinc/24/10/32/130241032.db2.gz HVIVNUINJXHNOD-NXEZZACHSA-N 1 0 311.353 2.411 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275150115 130295403 /nfs/dbraw/zinc/29/54/03/130295403.db2.gz SAOQNNAMYXTCLT-GFCCVEGCSA-N 1 0 316.323 2.201 20 10 DECDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000289190980 131364586 /nfs/dbraw/zinc/36/45/86/131364586.db2.gz AVEOZYSEEWCMGP-OAHLLOKOSA-N 1 0 321.396 2.301 20 10 DECDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000113343236 401777046 /nfs/dbraw/zinc/77/70/46/401777046.db2.gz USBVMKMJSUGQFI-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000093614045 402017218 /nfs/dbraw/zinc/01/72/18/402017218.db2.gz BCDRZFMYILVYSD-JKSUJKDBSA-N 1 0 321.417 2.153 20 10 DECDRO CC1CC[NH+](CC(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000121752798 402051137 /nfs/dbraw/zinc/05/11/37/402051137.db2.gz KCYVJVMOOKBPOK-UHFFFAOYSA-N 1 0 317.433 2.210 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000054511046 402068386 /nfs/dbraw/zinc/06/83/86/402068386.db2.gz HMZOFNPBOCIGEF-AWEZNQCLSA-N 1 0 305.422 2.266 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000155571085 402261209 /nfs/dbraw/zinc/26/12/09/402261209.db2.gz WYRUFNFDBKPIDM-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000185785601 402376922 /nfs/dbraw/zinc/37/69/22/402376922.db2.gz LQJCDAACNPNLFA-ZDUSSCGKSA-N 1 0 308.378 2.111 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@]2(O)CCSC2)ccc1OC ZINC000176751496 402333943 /nfs/dbraw/zinc/33/39/43/402333943.db2.gz ZCDYTURPPMYXOC-INIZCTEOSA-N 1 0 311.447 2.189 20 10 DECDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000186103239 402402087 /nfs/dbraw/zinc/40/20/87/402402087.db2.gz KCRIIOFTVVVEBZ-OLZOCXBDSA-N 1 0 316.405 2.104 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(F)ccc1O ZINC000186375833 402426220 /nfs/dbraw/zinc/42/62/20/402426220.db2.gz VPJHRKJFBJYHQK-DGCLKSJQSA-N 1 0 311.353 2.104 20 10 DECDRO Cc1nc(CN2CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000179555200 402594315 /nfs/dbraw/zinc/59/43/15/402594315.db2.gz OIIJSEGIEMQJRP-UHFFFAOYSA-N 1 0 303.431 2.475 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000179621306 402596351 /nfs/dbraw/zinc/59/63/51/402596351.db2.gz HRTKCUSULLXWMK-UHFFFAOYSA-N 1 0 314.385 2.429 20 10 DECDRO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1O ZINC000179702255 402598243 /nfs/dbraw/zinc/59/82/43/402598243.db2.gz VXULKHIGRDKZQJ-INIZCTEOSA-N 1 0 302.418 2.439 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000262851700 402735721 /nfs/dbraw/zinc/73/57/21/402735721.db2.gz KDVZKKUTIHZSLX-WFASDCNBSA-N 1 0 312.417 2.359 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183240948 402749729 /nfs/dbraw/zinc/74/97/29/402749729.db2.gz NPQGQCFGHPKEOG-CQSZACIVSA-N 1 0 307.390 2.376 20 10 DECDRO COc1c(O)c(C[NH2+]Cc2ncccc2C)ccc1[N+](=O)[O-] ZINC000278893813 402883104 /nfs/dbraw/zinc/88/31/04/402883104.db2.gz QBDSKMKANMFUCX-UHFFFAOYSA-N 1 0 303.318 2.302 20 10 DECDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271868299 402884974 /nfs/dbraw/zinc/88/49/74/402884974.db2.gz WZBFVBCLFXBMKG-UHFFFAOYSA-N 1 0 312.841 2.371 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCOC2)c(C(F)(F)F)c1 ZINC000279915409 402965129 /nfs/dbraw/zinc/96/51/29/402965129.db2.gz MJCWKEDRRMPYTK-AWEZNQCLSA-N 1 0 318.339 2.012 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1F ZINC000280335674 402989467 /nfs/dbraw/zinc/98/94/67/402989467.db2.gz QWJQRCMMNZUUAQ-HZPDHXFCSA-N 1 0 324.440 2.407 20 10 DECDRO O=C(NCC1CC[NH+](Cc2ccccc2O)CC1)C(F)(F)F ZINC000281304204 403063215 /nfs/dbraw/zinc/06/32/15/403063215.db2.gz PWEYYSOHNHKCSG-UHFFFAOYSA-N 1 0 316.323 2.283 20 10 DECDRO Cc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000282980923 403164336 /nfs/dbraw/zinc/16/43/36/403164336.db2.gz JIIYOTOFKQGYHD-NVXWUHKLSA-N 1 0 305.418 2.358 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000271234733 403282147 /nfs/dbraw/zinc/28/21/47/403282147.db2.gz AQMHWAYNYDWNQO-RNCFNFMXSA-N 1 0 300.196 2.357 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H](C3CCC3)C1)OCO2 ZINC000292164242 403310208 /nfs/dbraw/zinc/31/02/08/403310208.db2.gz WOOBWOSQJFNDBZ-CQSZACIVSA-N 1 0 305.374 2.369 20 10 DECDRO COc1cc(O)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000293692123 403538933 /nfs/dbraw/zinc/53/89/33/403538933.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 1 0 320.433 2.327 20 10 DECDRO CCS(=O)(=O)CCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295308504 403847690 /nfs/dbraw/zinc/84/76/90/403847690.db2.gz KIIIRDXKWBXPAV-UHFFFAOYSA-N 1 0 309.790 2.051 20 10 DECDRO COc1cc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000289832163 404001468 /nfs/dbraw/zinc/00/14/68/404001468.db2.gz UICMGERDGROSGF-YIONKMFJSA-N 1 0 320.433 2.466 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559462 404220363 /nfs/dbraw/zinc/22/03/63/404220363.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 1 0 308.422 2.181 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](O)C3(C)C)CC2)cc1 ZINC000361125898 404932150 /nfs/dbraw/zinc/93/21/50/404932150.db2.gz UQERSOYMAZTYJV-IRXDYDNUSA-N 1 0 304.434 2.413 20 10 DECDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000194188930 225176183 /nfs/dbraw/zinc/17/61/83/225176183.db2.gz WYIANUNDCAVNLK-UHFFFAOYSA-N 1 0 316.313 2.361 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000261960026 225259072 /nfs/dbraw/zinc/25/90/72/225259072.db2.gz MJCJJMGXOQYCGO-SWLSCSKDSA-N 1 0 312.417 2.298 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1OC ZINC000371366957 227070504 /nfs/dbraw/zinc/07/05/04/227070504.db2.gz QYUNPOBBXZDRCV-GFCCVEGCSA-N 1 0 317.389 2.132 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000372503296 227092968 /nfs/dbraw/zinc/09/29/68/227092968.db2.gz NAVOQZXGBUQBKL-OAHLLOKOSA-N 1 0 312.417 2.361 20 10 DECDRO Oc1ccc(Cl)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378350886 227212832 /nfs/dbraw/zinc/21/28/32/227212832.db2.gz UYWDKFDIWADKSE-HOCLYGCPSA-N 1 0 310.825 2.077 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418100992 229219550 /nfs/dbraw/zinc/21/95/50/229219550.db2.gz QPJMPPASNSEYSH-ZIAGYGMSSA-N 1 0 314.433 2.379 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423083694 230344345 /nfs/dbraw/zinc/34/43/45/230344345.db2.gz GISHGMGDTBUDET-OALUTQOASA-N 1 0 313.445 2.343 20 10 DECDRO CN(C)C(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280880099 276751027 /nfs/dbraw/zinc/75/10/27/276751027.db2.gz NFEAAMGTDRJUBX-UHFFFAOYSA-N 1 0 317.355 2.339 20 10 DECDRO CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285977117 288059433 /nfs/dbraw/zinc/05/94/33/288059433.db2.gz HMARHLMJRZXVTI-BBRMVZONSA-N 1 0 309.429 2.208 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)c1O ZINC001349328920 1151241863 /nfs/dbraw/zinc/24/18/63/1151241863.db2.gz ASKLFZBMADDMSU-YUELXQCFSA-N 1 0 318.417 2.137 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361264 333207564 /nfs/dbraw/zinc/20/75/64/333207564.db2.gz PBZCYQJOPRDBPR-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO [NH3+][C@@H]1CC[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001357612286 1152318777 /nfs/dbraw/zinc/31/87/77/1152318777.db2.gz ZJKAXHXGCXNMOW-GXTWGEPZSA-N 1 0 317.433 2.198 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000369101268 534193861 /nfs/dbraw/zinc/19/38/61/534193861.db2.gz VTTJWMWENLGMHX-INIZCTEOSA-N 1 0 301.390 2.369 20 10 DECDRO CN(C)c1ccc(/C=C\CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000835037268 649869891 /nfs/dbraw/zinc/86/98/91/649869891.db2.gz IZNOSXCIMSYNCQ-JZPMYCAGSA-N 1 0 315.461 2.219 20 10 DECDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000189549763 524051680 /nfs/dbraw/zinc/05/16/80/524051680.db2.gz XKZLNYVAGDPMRI-UHFFFAOYSA-N 1 0 306.406 2.292 20 10 DECDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C[N@@H+]1C1CC1 ZINC000130694404 524911159 /nfs/dbraw/zinc/91/11/59/524911159.db2.gz ASZPGXIJGABGPY-JSGCOSHPSA-N 1 0 303.406 2.159 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C[N@@H+]1C1CC1 ZINC000130694182 525426354 /nfs/dbraw/zinc/42/63/54/525426354.db2.gz ASZPGXIJGABGPY-OCCSQVGLSA-N 1 0 303.406 2.159 20 10 DECDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(O)c1O ZINC000182318296 526106842 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CN(C)c1ccc(/C=C/C[NH2+]C2CCC(C(N)=O)CC2)cc1 ZINC000835040400 649870230 /nfs/dbraw/zinc/87/02/30/649870230.db2.gz OXSGWLSEWALZNU-ONEGZZNKSA-N 1 0 301.434 2.400 20 10 DECDRO C[C@@H]1CN(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835039257 649870452 /nfs/dbraw/zinc/87/04/52/649870452.db2.gz YXVORAXKIFWMBC-YIEVGGLXSA-N 1 0 303.450 2.076 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C(N)=O)CCCC2)cc1 ZINC000835043648 649870657 /nfs/dbraw/zinc/87/06/57/649870657.db2.gz WZNXPLLYTHIACW-WAYWQWQTSA-N 1 0 301.434 2.401 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CCC(O)CC1 ZINC001327535505 1148581635 /nfs/dbraw/zinc/58/16/35/1148581635.db2.gz OTXYFXYYPGWEEA-UHFFFAOYSA-N 1 0 321.417 2.308 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000835052532 649872370 /nfs/dbraw/zinc/87/23/70/649872370.db2.gz FUPKLJKHBNAQBA-IMMZDGJCSA-N 1 0 322.474 2.180 20 10 DECDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000835070611 649874795 /nfs/dbraw/zinc/87/47/95/649874795.db2.gz 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ZINC000891252432 623798320 /nfs/dbraw/zinc/79/83/20/623798320.db2.gz LIOLJPQBVRHWFK-INIZCTEOSA-N 1 0 300.406 2.113 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(O)c1OC ZINC000892146584 624795747 /nfs/dbraw/zinc/79/57/47/624795747.db2.gz WTNGWJXIFQKZLW-OCCSQVGLSA-N 1 0 307.390 2.268 20 10 DECDRO COCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001024830101 625071554 /nfs/dbraw/zinc/07/15/54/625071554.db2.gz LJLFZIRANDBFOJ-MRXNPFEDSA-N 1 0 320.433 2.121 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c(O)c1OC ZINC000892534536 625112985 /nfs/dbraw/zinc/11/29/85/625112985.db2.gz NOGGPIYEMFTGFT-CQSZACIVSA-N 1 0 310.438 2.475 20 10 DECDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000323281571 625148495 /nfs/dbraw/zinc/14/84/95/625148495.db2.gz IZEKYENTPBYTDJ-UHFFFAOYSA-N 1 0 312.413 2.305 20 10 DECDRO COc1ccc(C[NH2+]CCCCn2ccnc2)c(O)c1OC ZINC000892658791 625236199 /nfs/dbraw/zinc/23/61/99/625236199.db2.gz NLGZIWKKQILAFL-UHFFFAOYSA-N 1 0 305.378 2.176 20 10 DECDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)c(O)c1OC ZINC000893002672 625878143 /nfs/dbraw/zinc/87/81/43/625878143.db2.gz ZHGPUQHBCARFJQ-INIZCTEOSA-N 1 0 323.414 2.468 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NCc1ccco1 ZINC000840928593 634582798 /nfs/dbraw/zinc/58/27/98/634582798.db2.gz AEGICLYUZLYWQD-UHFFFAOYSA-N 1 0 301.390 2.060 20 10 DECDRO COc1ccc(CNC(=O)NCCCC[N@H+](C)C2CC2)c(O)c1 ZINC000836687540 650120774 /nfs/dbraw/zinc/12/07/74/650120774.db2.gz UPFCFKQUSGSISU-UHFFFAOYSA-N 1 0 321.421 2.074 20 10 DECDRO C[N@H+](CCCO)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093394933 633927212 /nfs/dbraw/zinc/92/72/12/633927212.db2.gz BDVFGQLANNFWDI-UHFFFAOYSA-N 1 0 312.841 2.324 20 10 DECDRO CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980509640 635030784 /nfs/dbraw/zinc/03/07/84/635030784.db2.gz AKVWZZFAFCWANC-CQSZACIVSA-N 1 0 317.393 2.405 20 10 DECDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837171481 650170586 /nfs/dbraw/zinc/17/05/86/650170586.db2.gz COSPCDPDNMETAE-SOFGYWHQSA-N 1 0 304.390 2.102 20 10 DECDRO CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001030744 635391703 /nfs/dbraw/zinc/39/17/03/635391703.db2.gz KICIKFYWRLKJBB-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO COC(=O)CC1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921821067 635411982 /nfs/dbraw/zinc/41/19/82/635411982.db2.gz FZTFWCPKWXQUSP-UHFFFAOYSA-N 1 0 319.401 2.214 20 10 DECDRO CN(C)c1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1F ZINC000840961442 635792294 /nfs/dbraw/zinc/79/22/94/635792294.db2.gz BCKOAYWGESVXQT-UHFFFAOYSA-N 1 0 309.429 2.092 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840964254 635813756 /nfs/dbraw/zinc/81/37/56/635813756.db2.gz VLLXKOXTHVSNRA-ZDUSSCGKSA-N 1 0 305.349 2.406 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236732336 635992697 /nfs/dbraw/zinc/99/26/97/635992697.db2.gz JVQYYTOBYJJFPZ-CQSZACIVSA-N 1 0 308.447 2.226 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c(O)c1OC ZINC000893912837 636063815 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COC(=O)c1c(C[NH2+]CCC[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894589872 637113879 /nfs/dbraw/zinc/11/38/79/637113879.db2.gz KBNPNNUZKLRPAW-LLVKDONJSA-N 1 0 322.380 2.355 20 10 DECDRO COc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)c(O)c1OC ZINC000894618649 637135721 /nfs/dbraw/zinc/13/57/21/637135721.db2.gz ZGKBTRQSAJTKFV-QGZVFWFLSA-N 1 0 309.406 2.440 20 10 DECDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000895001414 637363006 /nfs/dbraw/zinc/36/30/06/637363006.db2.gz SAZUQFZXWONVPS-GOSISDBHSA-N 1 0 314.360 2.160 20 10 DECDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788269029 637541506 /nfs/dbraw/zinc/54/15/06/637541506.db2.gz KEBOJWKRICFRFA-SKDRFNHKSA-N 1 0 300.196 2.418 20 10 DECDRO COCc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000839011969 637753755 /nfs/dbraw/zinc/75/37/55/637753755.db2.gz UCLMMJXVMCBZSJ-UHFFFAOYSA-N 1 0 319.405 2.398 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000895184732 637765876 /nfs/dbraw/zinc/76/58/76/637765876.db2.gz VUHBETCURHUYQM-SOUVJXGZSA-N 1 0 322.449 2.297 20 10 DECDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146447 637788926 /nfs/dbraw/zinc/78/89/26/637788926.db2.gz HTPXUMMTPVEYGP-NHYWBVRUSA-N 1 0 312.360 2.068 20 10 DECDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000839195303 637822401 /nfs/dbraw/zinc/82/24/01/637822401.db2.gz GKPLGJYUHGAPHS-MRXNPFEDSA-N 1 0 301.434 2.293 20 10 DECDRO COc1ccc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c(O)c1OC ZINC000895349477 637956432 /nfs/dbraw/zinc/95/64/32/637956432.db2.gz MBIIYLOKIKOQBN-CALCHBBNSA-N 1 0 307.390 2.268 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)on1 ZINC000895454862 638036013 /nfs/dbraw/zinc/03/60/13/638036013.db2.gz OIIWMDHMJOXIKC-UHFFFAOYSA-N 1 0 320.345 2.164 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000840938066 650390463 /nfs/dbraw/zinc/39/04/63/650390463.db2.gz CKRLYWIIKVBWAJ-MRXNPFEDSA-N 1 0 319.493 2.338 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000840945524 650392556 /nfs/dbraw/zinc/39/25/56/650392556.db2.gz PLBYTAXHGILVPF-NSHDSACASA-N 1 0 317.838 2.268 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)CN2CCOCC2)cc1 ZINC000840964230 650395860 /nfs/dbraw/zinc/39/58/60/650395860.db2.gz UWAHXKZSZVJRCU-WAYWQWQTSA-N 1 0 317.477 2.466 20 10 DECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000743498660 638153075 /nfs/dbraw/zinc/15/30/75/638153075.db2.gz CCARCZAORMKWSD-NVXWUHKLSA-N 1 0 306.450 2.410 20 10 DECDRO COc1ccc(C[N@H+](CCO)Cc2cccc(OC)c2O)cc1 ZINC000895710145 638156660 /nfs/dbraw/zinc/15/66/60/638156660.db2.gz HAUBNZJJPFQBOJ-UHFFFAOYSA-N 1 0 317.385 2.404 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c(O)c1OC ZINC000895750124 638179185 /nfs/dbraw/zinc/17/91/85/638179185.db2.gz CMEZYHBJDDWVPT-CHWSQXEVSA-N 1 0 309.406 2.439 20 10 DECDRO COC(=O)c1coc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000895776376 638193488 /nfs/dbraw/zinc/19/34/88/638193488.db2.gz HUQZTRWHCUXWAY-UHFFFAOYSA-N 1 0 321.329 2.079 20 10 DECDRO COc1cc(C)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1O ZINC000895918869 638266585 /nfs/dbraw/zinc/26/65/85/638266585.db2.gz CDIHYTIASHUNHH-FRRDWIJNSA-N 1 0 306.406 2.149 20 10 DECDRO CCC[N@H+](CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000746107435 638311363 /nfs/dbraw/zinc/31/13/63/638311363.db2.gz GLTXACXSCFGGHR-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c(O)c1OC ZINC000896049337 638324792 /nfs/dbraw/zinc/32/47/92/638324792.db2.gz XBQIMBQXGSZEBE-CYBMUJFWSA-N 1 0 307.390 2.458 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896396389 638501995 /nfs/dbraw/zinc/50/19/95/638501995.db2.gz PJNFKAIJHYUCPN-PXAZEXFGSA-N 1 0 320.389 2.111 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1O ZINC000896668278 638628683 /nfs/dbraw/zinc/62/86/83/638628683.db2.gz WEADREDWPQCINM-KRWDZBQOSA-N 1 0 309.406 2.383 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCc2cc(C)n(C)n2)c1O ZINC000896819065 638696126 /nfs/dbraw/zinc/69/61/26/638696126.db2.gz KVWMYAHPWSAOMJ-UHFFFAOYSA-N 1 0 309.797 2.428 20 10 DECDRO CCC(CC)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000752083712 639154699 /nfs/dbraw/zinc/15/46/99/639154699.db2.gz HSKAQBSZWPTXDG-UHFFFAOYSA-N 1 0 324.490 2.447 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1O ZINC000897227225 639260781 /nfs/dbraw/zinc/26/07/81/639260781.db2.gz BVBZTEAIPXZVMW-KRWDZBQOSA-N 1 0 304.434 2.298 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000753571410 639315162 /nfs/dbraw/zinc/31/51/62/639315162.db2.gz OAEZAJAFGPCXGM-AWEZNQCLSA-N 1 0 321.417 2.418 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754726765 639464666 /nfs/dbraw/zinc/46/46/66/639464666.db2.gz NJQCTWRAPFUUQB-LLVKDONJSA-N 1 0 306.406 2.006 20 10 DECDRO CCn1cnc2c1CCN(Cc1cc(C)cc(OC)c1O)C2 ZINC000897333769 639496824 /nfs/dbraw/zinc/49/68/24/639496824.db2.gz NZESWSVYIGCOQQ-UHFFFAOYSA-N 1 0 301.390 2.484 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(O)c1 ZINC000756137994 639629880 /nfs/dbraw/zinc/62/98/80/639629880.db2.gz MXRUEOVYZSTBPP-UHFFFAOYSA-N 1 0 300.358 2.450 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000756359295 639653966 /nfs/dbraw/zinc/65/39/66/639653966.db2.gz DCHWPXUCNNSRTD-ZDUSSCGKSA-N 1 0 306.406 2.315 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1O ZINC000756434369 639661743 /nfs/dbraw/zinc/66/17/43/639661743.db2.gz MCPRNOIWNSLZTJ-MWLCHTKSSA-N 1 0 316.195 2.221 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000756759543 639691890 /nfs/dbraw/zinc/69/18/90/639691890.db2.gz KSRXFUDHPHQDDL-KGLIPLIRSA-N 1 0 305.422 2.463 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756761946 639692866 /nfs/dbraw/zinc/69/28/66/639692866.db2.gz VJYDLHHCCKERIW-NTZNESFSSA-N 1 0 321.396 2.473 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841652686 650530421 /nfs/dbraw/zinc/53/04/21/650530421.db2.gz FHRDCWWIFIPGAB-KRWDZBQOSA-N 1 0 318.465 2.459 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000757877194 639891116 /nfs/dbraw/zinc/89/11/16/639891116.db2.gz XDSOMWYQIQNEPS-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000841692268 650541843 /nfs/dbraw/zinc/54/18/43/650541843.db2.gz FTRPTSZGCAXKPV-HUUCEWRRSA-N 1 0 318.465 2.231 20 10 DECDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729050107 640000556 /nfs/dbraw/zinc/00/05/56/640000556.db2.gz WHKOEWPQOJYSLB-CHWSQXEVSA-N 1 0 323.437 2.491 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000841719165 650551161 /nfs/dbraw/zinc/55/11/61/650551161.db2.gz FMLMAYKXAZCNLD-INIZCTEOSA-N 1 0 304.438 2.069 20 10 DECDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841722820 650552082 /nfs/dbraw/zinc/55/20/82/650552082.db2.gz ZAMHHJVSITWUDT-UHFFFAOYSA-N 1 0 318.465 2.373 20 10 DECDRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753844 650557885 /nfs/dbraw/zinc/55/78/85/650557885.db2.gz XEAANSMRDGDJDB-DGCLKSJQSA-N 1 0 317.813 2.110 20 10 DECDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761227781 640287687 /nfs/dbraw/zinc/28/76/87/640287687.db2.gz BMCQBMUCQPOUOT-CYBMUJFWSA-N 1 0 309.797 2.082 20 10 DECDRO CC[NH+]1CCC(CCNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841837832 650575606 /nfs/dbraw/zinc/57/56/06/650575606.db2.gz WDEKMVFGDICQRS-UHFFFAOYSA-N 1 0 318.465 2.233 20 10 DECDRO C[C@@H](CCC[NH3+])NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841852897 650579920 /nfs/dbraw/zinc/57/99/20/650579920.db2.gz SJCQLOGHUQKCCN-NSHDSACASA-N 1 0 318.446 2.173 20 10 DECDRO CCCCN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889674361 640461261 /nfs/dbraw/zinc/46/12/61/640461261.db2.gz ITLUSCZKGRCMEG-UHFFFAOYSA-N 1 0 318.465 2.380 20 10 DECDRO CCn1cncc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841854554 650581154 /nfs/dbraw/zinc/58/11/54/650581154.db2.gz BSRGJZYIFFNLNC-UHFFFAOYSA-N 1 0 318.396 2.169 20 10 DECDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[C@@H]1[NH3+] ZINC000841858575 650582326 /nfs/dbraw/zinc/58/23/26/650582326.db2.gz ZZODDXQJGKULEL-QWRGUYRKSA-N 1 0 314.480 2.004 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000841922761 650603604 /nfs/dbraw/zinc/60/36/04/650603604.db2.gz QFTHUTUBGWRVSV-GFCCVEGCSA-N 1 0 321.421 2.423 20 10 DECDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000841937738 650606299 /nfs/dbraw/zinc/60/62/99/650606299.db2.gz WLVVDZVKAQNYER-HNNXBMFYSA-N 1 0 316.449 2.179 20 10 DECDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(Cl)cc1O ZINC000841755650 640796152 /nfs/dbraw/zinc/79/61/52/640796152.db2.gz KVGKXKIOINDFCO-VIFPVBQESA-N 1 0 303.811 2.273 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841943071 650607981 /nfs/dbraw/zinc/60/79/81/650607981.db2.gz DLDVKPPTTCDQIG-HNNXBMFYSA-N 1 0 305.422 2.456 20 10 DECDRO Cc1cc(Br)c(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000841026451 640833610 /nfs/dbraw/zinc/83/36/10/640833610.db2.gz CJWUUDRFNCCKOO-MFKMUULPSA-N 1 0 311.223 2.257 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000841986045 650620044 /nfs/dbraw/zinc/62/00/44/650620044.db2.gz LIBNSNUHISLDNS-DZGCQCFKSA-N 1 0 305.422 2.312 20 10 DECDRO C[C@H](CC[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841967487 650615417 /nfs/dbraw/zinc/61/54/17/650615417.db2.gz NNPIBBNQRVEERM-CYBMUJFWSA-N 1 0 304.438 2.164 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1O ZINC000897683446 640902241 /nfs/dbraw/zinc/90/22/41/640902241.db2.gz DOSCINLFCZMXER-CXAGYDPISA-N 1 0 319.405 2.398 20 10 DECDRO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccccc3O)C2)CCC1 ZINC000897700568 640908911 /nfs/dbraw/zinc/90/89/11/640908911.db2.gz VMYWBNXHKSDPPO-GOSISDBHSA-N 1 0 319.401 2.062 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000841985278 650619738 /nfs/dbraw/zinc/61/97/38/650619738.db2.gz AUYBTRXZTRORNC-YOEHRIQHSA-N 1 0 318.465 2.282 20 10 DECDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c(O)c1OC ZINC000898060754 641013163 /nfs/dbraw/zinc/01/31/63/641013163.db2.gz HNTAPZRTOMUGIL-SUMWQHHRSA-N 1 0 319.401 2.458 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000898115258 641025022 /nfs/dbraw/zinc/02/50/22/641025022.db2.gz FADNFOOFOSGDFQ-MRXNPFEDSA-N 1 0 307.390 2.219 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000898116346 641025542 /nfs/dbraw/zinc/02/55/42/641025542.db2.gz PANDZGKGQFYTOM-HNNXBMFYSA-N 1 0 307.390 2.219 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1Cc2ccccc2C1 ZINC000768441706 641080801 /nfs/dbraw/zinc/08/08/01/641080801.db2.gz GIQGAIJFDOTMKM-GOSISDBHSA-N 1 0 311.381 2.417 20 10 DECDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464469 641085260 /nfs/dbraw/zinc/08/52/60/641085260.db2.gz SKSNHHASTPDXLP-HNNXBMFYSA-N 1 0 322.792 2.442 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842006409 650626381 /nfs/dbraw/zinc/62/63/81/650626381.db2.gz QBJYBWPFKRYCHW-KGLIPLIRSA-N 1 0 306.454 2.408 20 10 DECDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769120321 641179219 /nfs/dbraw/zinc/17/92/19/641179219.db2.gz KWYHKGOKCSWHAY-CQSZACIVSA-N 1 0 306.406 2.234 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000989838074 641246435 /nfs/dbraw/zinc/24/64/35/641246435.db2.gz JNYCHDVOOGNUOS-GWCFXTLKSA-N 1 0 321.356 2.011 20 10 DECDRO CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838753 641247356 /nfs/dbraw/zinc/24/73/56/641247356.db2.gz OMYIEURTXSIXDJ-BXUZGUMPSA-N 1 0 317.393 2.452 20 10 DECDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000770389712 641364093 /nfs/dbraw/zinc/36/40/93/641364093.db2.gz XGKBFGMHMHUNJF-INIZCTEOSA-N 1 0 309.406 2.418 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](CO)c2ccsc2)cc1OC ZINC000770667166 641405280 /nfs/dbraw/zinc/40/52/80/641405280.db2.gz DPADVIWOKAXRSU-LBPRGKRZSA-N 1 0 309.387 2.294 20 10 DECDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058087 641499933 /nfs/dbraw/zinc/49/99/33/641499933.db2.gz PQXJCZMUNHPBLG-GJZGRUSLSA-N 1 0 307.413 2.022 20 10 DECDRO C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000926978915 641551612 /nfs/dbraw/zinc/55/16/12/641551612.db2.gz JOAPXPZGNGOXBA-QWHCGFSZSA-N 1 0 302.418 2.448 20 10 DECDRO Cc1cc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000898448414 641659961 /nfs/dbraw/zinc/65/99/61/641659961.db2.gz RJYFAMSLYVLVCY-QGZVFWFLSA-N 1 0 302.422 2.442 20 10 DECDRO Cc1nnc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898448450 641660689 /nfs/dbraw/zinc/66/06/89/641660689.db2.gz SRAVPZAMVSHDQA-HNNXBMFYSA-N 1 0 319.478 2.305 20 10 DECDRO Cc1cn[nH]c1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449559 641660924 /nfs/dbraw/zinc/66/09/24/641660924.db2.gz HGJBSGLKUAEQKG-KRWDZBQOSA-N 1 0 301.438 2.177 20 10 DECDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451340 641662164 /nfs/dbraw/zinc/66/21/64/641662164.db2.gz XYWAKDSUXAHMAR-FHLIZLRMSA-N 1 0 305.466 2.370 20 10 DECDRO C=Cn1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC000898451494 641663397 /nfs/dbraw/zinc/66/33/97/641663397.db2.gz ZBGSZNJBKSJEBC-SFHVURJKSA-N 1 0 313.449 2.442 20 10 DECDRO CO[C@H](C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000898447444 641665380 /nfs/dbraw/zinc/66/53/80/641665380.db2.gz KHFLHWNVBXPLMC-QZTJIDSGSA-N 1 0 305.466 2.370 20 10 DECDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000773810009 641826573 /nfs/dbraw/zinc/82/65/73/641826573.db2.gz HGNQMBRRLSXTFI-LLVKDONJSA-N 1 0 316.357 2.433 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000774135567 641867791 /nfs/dbraw/zinc/86/77/91/641867791.db2.gz RSRRMSCHLFITNJ-AWEZNQCLSA-N 1 0 300.406 2.108 20 10 DECDRO CC(C)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102999 641935289 /nfs/dbraw/zinc/93/52/89/641935289.db2.gz UOLKRDZUQXQPCZ-MRXNPFEDSA-N 1 0 306.454 2.405 20 10 DECDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H]1C ZINC000899104912 641936588 /nfs/dbraw/zinc/93/65/88/641936588.db2.gz SRZOQQFUZAXSID-KEYYUXOJSA-N 1 0 318.465 2.405 20 10 DECDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000774830890 641970595 /nfs/dbraw/zinc/97/05/95/641970595.db2.gz GETJNPWQKSFPDG-FUHWJXTLSA-N 1 0 304.434 2.428 20 10 DECDRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255931 642022248 /nfs/dbraw/zinc/02/22/48/642022248.db2.gz SBDZTOXRYCKAKQ-CKNOQMABSA-N 1 0 318.417 2.293 20 10 DECDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000775498150 642052473 /nfs/dbraw/zinc/05/24/73/642052473.db2.gz XXVTUXNQTQBIRW-CYBMUJFWSA-N 1 0 314.451 2.151 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000775647405 642072274 /nfs/dbraw/zinc/07/22/74/642072274.db2.gz UPAJCRCUGVZONX-LJQANCHMSA-N 1 0 317.477 2.438 20 10 DECDRO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(N(C)C)cc1 ZINC000775835092 642103048 /nfs/dbraw/zinc/10/30/48/642103048.db2.gz FCZVNRXIJMBJME-NSHDSACASA-N 1 0 304.419 2.498 20 10 DECDRO COc1ccc2c(c1)CCCN2CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775935694 642114701 /nfs/dbraw/zinc/11/47/01/642114701.db2.gz HEPDYHBWSOOYTP-CALCHBBNSA-N 1 0 302.418 2.311 20 10 DECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000776867564 642214169 /nfs/dbraw/zinc/21/41/69/642214169.db2.gz DBVFFASMCLTERX-JLJPHGGASA-N 1 0 309.406 2.172 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(O)(C(F)F)CC2)c1O ZINC000777574010 642283122 /nfs/dbraw/zinc/28/31/22/642283122.db2.gz FAVCFMZMQIPUSE-UHFFFAOYSA-N 1 0 301.333 2.301 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000779515056 642506951 /nfs/dbraw/zinc/50/69/51/642506951.db2.gz SAMBCZFHQRLEPX-DUXPYHPUSA-N 1 0 322.324 2.330 20 10 DECDRO CCOc1ccc(C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)c(O)c1 ZINC000780593262 642647745 /nfs/dbraw/zinc/64/77/45/642647745.db2.gz CXYIBFVSWCZTSV-FUHWJXTLSA-N 1 0 323.433 2.447 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625035 650785769 /nfs/dbraw/zinc/78/57/69/650785769.db2.gz HSUCDLBWLVUBFT-DYVFJYSZSA-N 1 0 312.369 2.203 20 10 DECDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000783534691 643015160 /nfs/dbraw/zinc/01/51/60/643015160.db2.gz GNLKAEFGPPJIKT-IHRRRGAJSA-N 1 0 310.413 2.472 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC2CC2)cc1OC ZINC000902536672 643058731 /nfs/dbraw/zinc/05/87/31/643058731.db2.gz KPMBGVMPRPKJQV-AWEZNQCLSA-N 1 0 307.390 2.410 20 10 DECDRO COC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000902564349 643070884 /nfs/dbraw/zinc/07/08/84/643070884.db2.gz QKVYSBXJNCUZLQ-CQSZACIVSA-N 1 0 317.385 2.401 20 10 DECDRO Cn1nccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000902577763 643076763 /nfs/dbraw/zinc/07/67/63/643076763.db2.gz GQGQYWUDKJFKBV-SFHVURJKSA-N 1 0 313.401 2.188 20 10 DECDRO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)c(O)cc1C ZINC000902607071 643082990 /nfs/dbraw/zinc/08/29/90/643082990.db2.gz PHECSADNGNESIQ-GDBMZVCRSA-N 1 0 321.417 2.337 20 10 DECDRO CCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(O)c1 ZINC000842758563 650818536 /nfs/dbraw/zinc/81/85/36/650818536.db2.gz MDSIKLIPNLUOJI-KRWDZBQOSA-N 1 0 309.406 2.058 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C)[C@@H]3C)CC2)cc1 ZINC000903299861 643309871 /nfs/dbraw/zinc/30/98/71/643309871.db2.gz CCCRMMDXURYDRC-RDTXWAMCSA-N 1 0 303.450 2.346 20 10 DECDRO Cn1cc([C@@]2(C[NH2+][C@@H]3CCc4cccc(O)c43)CCCO2)cn1 ZINC000903359039 643326516 /nfs/dbraw/zinc/32/65/16/643326516.db2.gz CGORPFRLKRCNAO-QAPCUYQASA-N 1 0 313.401 2.409 20 10 DECDRO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1nccn1C ZINC000903448610 643354764 /nfs/dbraw/zinc/35/47/64/643354764.db2.gz QRYZUOAXLKNNHC-YOEHRIQHSA-N 1 0 315.465 2.440 20 10 DECDRO CN(C)c1ccc(CN2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000903940704 643521955 /nfs/dbraw/zinc/52/19/55/643521955.db2.gz BBVLOTPTCYGVTM-UHFFFAOYSA-N 1 0 302.447 2.226 20 10 DECDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903967081 643538115 /nfs/dbraw/zinc/53/81/15/643538115.db2.gz GPDNSCCMDMTWKY-PWSUYJOCSA-N 1 0 313.239 2.408 20 10 DECDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000841799010 643585245 /nfs/dbraw/zinc/58/52/45/643585245.db2.gz OQOZJPMQUYTMEH-ZDUSSCGKSA-N 1 0 310.417 2.208 20 10 DECDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788269012 643585300 /nfs/dbraw/zinc/58/53/00/643585300.db2.gz KDTAGPYYMINZHM-GZMMTYOYSA-N 1 0 316.195 2.118 20 10 DECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000842908817 650850176 /nfs/dbraw/zinc/85/01/76/650850176.db2.gz FHXWTNPHUJXHNA-RLCGTCKNSA-N 1 0 316.195 2.219 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CCC[C@@H](C)O)c1O ZINC000788524927 643620645 /nfs/dbraw/zinc/62/06/45/643620645.db2.gz ZGPUUUZDUKXEFW-SECBINFHSA-N 1 0 318.211 2.414 20 10 DECDRO CN(C)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCS2)cc1F ZINC000905041988 643767555 /nfs/dbraw/zinc/76/75/55/643767555.db2.gz MPZVBYGHMIKHCJ-LBPRGKRZSA-N 1 0 310.442 2.401 20 10 DECDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000789962877 643796344 /nfs/dbraw/zinc/79/63/44/643796344.db2.gz BSSPPRKXHZSRRW-TUAOUCFPSA-N 1 0 324.396 2.333 20 10 DECDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000790456131 643854882 /nfs/dbraw/zinc/85/48/82/643854882.db2.gz SFTNXDWMOHATJP-KRWDZBQOSA-N 1 0 314.429 2.468 20 10 DECDRO C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000843050855 650877617 /nfs/dbraw/zinc/87/76/17/650877617.db2.gz AIDWSQGBJYEVEG-YJBOKZPZSA-N 1 0 303.450 2.082 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(O)CCCC2)N(C)C)cc1 ZINC000905705041 644008506 /nfs/dbraw/zinc/00/85/06/644008506.db2.gz PVJVHDOSDCIPPH-QGZVFWFLSA-N 1 0 305.466 2.250 20 10 DECDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000793007091 644179598 /nfs/dbraw/zinc/17/95/98/644179598.db2.gz CSEVLCVOAQPFMK-UONOGXRCSA-N 1 0 321.421 2.073 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000793230649 644212313 /nfs/dbraw/zinc/21/23/13/644212313.db2.gz HLSAHSVENFDPKL-DYVFJYSZSA-N 1 0 307.390 2.171 20 10 DECDRO CSC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000793794790 644304873 /nfs/dbraw/zinc/30/48/73/644304873.db2.gz DEJIDKMVWDLMGX-ABAIWWIYSA-N 1 0 309.431 2.393 20 10 DECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000794257835 644384964 /nfs/dbraw/zinc/38/49/64/644384964.db2.gz NQZXJTBMIDJYCL-JWJUJFCLSA-N 1 0 306.406 2.348 20 10 DECDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(C)cc1O ZINC000794817984 644480269 /nfs/dbraw/zinc/48/02/69/644480269.db2.gz RWPRAMVJGLBBJW-QRTARXTBSA-N 1 0 320.433 2.377 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000795632247 644608798 /nfs/dbraw/zinc/60/87/98/644608798.db2.gz OQQHIWKCOLGXJC-KRWDZBQOSA-N 1 0 307.390 2.091 20 10 DECDRO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000796275514 644710465 /nfs/dbraw/zinc/71/04/65/644710465.db2.gz AESVQYPGLIFSBV-OAHLLOKOSA-N 1 0 314.433 2.416 20 10 DECDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccccc1O ZINC000796499377 644746001 /nfs/dbraw/zinc/74/60/01/644746001.db2.gz LJUZKLOAPZOHCQ-UHFFFAOYSA-N 1 0 310.353 2.168 20 10 DECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCc1cccs1 ZINC000843350183 650954886 /nfs/dbraw/zinc/95/48/86/650954886.db2.gz OIDRLFFDFBIGKI-UHFFFAOYSA-N 1 0 315.442 2.276 20 10 DECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@@](C)(F)C2)c1O ZINC000843387447 650964392 /nfs/dbraw/zinc/96/43/92/650964392.db2.gz JMBVJRKIAQTSLX-OAHLLOKOSA-N 1 0 314.788 2.382 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414666 650969970 /nfs/dbraw/zinc/96/99/70/650969970.db2.gz AVGNAZVVWAVIJD-AWEZNQCLSA-N 1 0 314.389 2.267 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000802652782 645539508 /nfs/dbraw/zinc/53/95/08/645539508.db2.gz UBZJVEVOWZAENM-UHFFFAOYSA-N 1 0 312.348 2.461 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000840147925 646152019 /nfs/dbraw/zinc/15/20/19/646152019.db2.gz VNMDCMGUWYVZHD-OAHLLOKOSA-N 1 0 305.422 2.245 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1C ZINC000809612585 646247082 /nfs/dbraw/zinc/24/70/82/646247082.db2.gz RQNXOXQFFQOONO-UHFFFAOYSA-N 1 0 300.358 2.036 20 10 DECDRO CC(C)n1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000809638599 646255201 /nfs/dbraw/zinc/25/52/01/646255201.db2.gz BWACUHAWJLSCMI-UHFFFAOYSA-N 1 0 317.437 2.436 20 10 DECDRO CN(C)c1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1F ZINC000809737374 646272161 /nfs/dbraw/zinc/27/21/61/646272161.db2.gz GIQVPUMWVUHZTG-MRXNPFEDSA-N 1 0 323.456 2.434 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1 ZINC000809787498 646283753 /nfs/dbraw/zinc/28/37/53/646283753.db2.gz FZJNALXKIAYWCR-KBRIMQKVSA-N 1 0 318.417 2.137 20 10 DECDRO COc1cc(C)cc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000840187041 646293468 /nfs/dbraw/zinc/29/34/68/646293468.db2.gz FAASPWRIFDHAPX-AWEZNQCLSA-N 1 0 306.406 2.198 20 10 DECDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000913391068 646335856 /nfs/dbraw/zinc/33/58/56/646335856.db2.gz BORWFOMPJSUAEZ-UHFFFAOYSA-N 1 0 317.393 2.405 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000813857334 646815189 /nfs/dbraw/zinc/81/51/89/646815189.db2.gz SQBQAJKAXHQULQ-GPMSIDNRSA-N 1 0 317.477 2.451 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC000813861057 646816538 /nfs/dbraw/zinc/81/65/38/646816538.db2.gz NTQMQHMYLHDQRS-KEYYUXOJSA-N 1 0 322.474 2.056 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)c(O)c1 ZINC000814170395 646856269 /nfs/dbraw/zinc/85/62/69/646856269.db2.gz WUYNRBDTVBYCDV-UHFFFAOYSA-N 1 0 324.384 2.330 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000815166920 646982647 /nfs/dbraw/zinc/98/26/47/646982647.db2.gz MKFVWFRKMWLZRB-CGTJXYLNSA-N 1 0 313.401 2.326 20 10 DECDRO NC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816556301 647151671 /nfs/dbraw/zinc/15/16/71/647151671.db2.gz FOFCRCAMXYFDFE-UHFFFAOYSA-N 1 0 307.353 2.329 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)[C@@H]1CCOC1 ZINC000816597287 647157136 /nfs/dbraw/zinc/15/71/36/647157136.db2.gz MDYDZCAOSXRTOQ-HZPDHXFCSA-N 1 0 301.386 2.280 20 10 DECDRO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H](C)CO ZINC000816653718 647162739 /nfs/dbraw/zinc/16/27/39/647162739.db2.gz FSQKJQINBJNLRX-VIFPVBQESA-N 1 0 318.211 2.366 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817887872 647371686 /nfs/dbraw/zinc/37/16/86/647371686.db2.gz GHHKISRPEPCCOZ-RTBURBONSA-N 1 0 317.477 2.389 20 10 DECDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000817941451 647388719 /nfs/dbraw/zinc/38/87/19/647388719.db2.gz JTEWUBQWKXUBLY-SJORKVTESA-N 1 0 303.450 2.301 20 10 DECDRO CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942248 647388793 /nfs/dbraw/zinc/38/87/93/647388793.db2.gz NKWKAMDCUSJSNR-DLBZAZTESA-N 1 0 301.438 2.227 20 10 DECDRO Cc1cc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000817941155 647389058 /nfs/dbraw/zinc/38/90/58/647389058.db2.gz JFWFNXUSNXQBRS-BBRMVZONSA-N 1 0 301.438 2.145 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817987322 647401623 /nfs/dbraw/zinc/40/16/23/647401623.db2.gz SONRVBWHRCXHEE-WUHRBBMRSA-N 1 0 305.378 2.339 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nccn3C)C2)cc1 ZINC000818220083 647435092 /nfs/dbraw/zinc/43/50/92/647435092.db2.gz IWYXMKQBKFVPJQ-CQSZACIVSA-N 1 0 300.406 2.045 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C)cn3)C2)cc1 ZINC000818220626 647435861 /nfs/dbraw/zinc/43/58/61/647435861.db2.gz HRQWZSHZMXENBP-AWEZNQCLSA-N 1 0 300.406 2.045 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccn(C)n3)C2)cc1 ZINC000818222969 647435940 /nfs/dbraw/zinc/43/59/40/647435940.db2.gz ZJPLTLAYWGKQFI-CQSZACIVSA-N 1 0 300.406 2.045 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000818651854 647495367 /nfs/dbraw/zinc/49/53/67/647495367.db2.gz PFFYPJYKFYNDEY-HZPDHXFCSA-N 1 0 304.438 2.130 20 10 DECDRO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000731861911 647514474 /nfs/dbraw/zinc/51/44/74/647514474.db2.gz SGVACHOAZHVQGQ-ZDUSSCGKSA-N 1 0 302.399 2.458 20 10 DECDRO C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819121674 647586949 /nfs/dbraw/zinc/58/69/49/647586949.db2.gz YBUNBALSILCRAK-NWDGAFQWSA-N 1 0 300.349 2.227 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377958 647647191 /nfs/dbraw/zinc/64/71/91/647647191.db2.gz XNKKVKPHGYCTCH-AWEZNQCLSA-N 1 0 312.479 2.016 20 10 DECDRO CCC/C=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838917 648109789 /nfs/dbraw/zinc/10/97/89/648109789.db2.gz NMPBMCWWBSTMBZ-WAYWQWQTSA-N 1 0 301.434 2.411 20 10 DECDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc2cccnc2c1O ZINC000823180762 648369240 /nfs/dbraw/zinc/36/92/40/648369240.db2.gz CQSDZNXMMBIWSY-UHFFFAOYSA-N 1 0 301.390 2.335 20 10 DECDRO Fc1cc(C[NH2+]CC2=CCOCC2)ccc1N1CCOCC1 ZINC000824596794 648620830 /nfs/dbraw/zinc/62/08/30/648620830.db2.gz LKQNKHZLGGFBCO-UHFFFAOYSA-N 1 0 306.381 2.099 20 10 DECDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655476 648630241 /nfs/dbraw/zinc/63/02/41/648630241.db2.gz WTCRVFPEEYRNNP-DFBGVHRSSA-N 1 0 311.809 2.407 20 10 DECDRO COCC[N@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824694627 648637345 /nfs/dbraw/zinc/63/73/45/648637345.db2.gz PUIADDBDZXOBOQ-UHFFFAOYSA-N 1 0 311.422 2.139 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000824710189 648640021 /nfs/dbraw/zinc/64/00/21/648640021.db2.gz TZNUSQFVLAMROE-HZPDHXFCSA-N 1 0 324.852 2.385 20 10 DECDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000824815122 648656351 /nfs/dbraw/zinc/65/63/51/648656351.db2.gz IOHHHIFPDRSERW-YJBOKZPZSA-N 1 0 304.434 2.380 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(CC)C2)cc1F ZINC000824887313 648667150 /nfs/dbraw/zinc/66/71/50/648667150.db2.gz ULJSPHHJJZBQJT-AWEZNQCLSA-N 1 0 307.413 2.382 20 10 DECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)CC2 ZINC000825197992 648723924 /nfs/dbraw/zinc/72/39/24/648723924.db2.gz YDKSOAQTHXQUBI-LBPRGKRZSA-N 1 0 306.797 2.359 20 10 DECDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1C ZINC000825278523 648734907 /nfs/dbraw/zinc/73/49/07/648734907.db2.gz DNZDHCKKRAHHIR-HNNXBMFYSA-N 1 0 305.422 2.245 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)C2CC[NH2+]CC2)cc1 ZINC000826020074 648838929 /nfs/dbraw/zinc/83/89/29/648838929.db2.gz PIZTXCIRKWWJLR-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000826020909 648839958 /nfs/dbraw/zinc/83/99/58/648839958.db2.gz YJGOLQFYLSBDOV-QGZVFWFLSA-N 1 0 307.413 2.193 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000826064639 648844670 /nfs/dbraw/zinc/84/46/70/648844670.db2.gz MPYISTZHYBJQGH-CQSZACIVSA-N 1 0 306.406 2.148 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]21 ZINC000826065065 648845018 /nfs/dbraw/zinc/84/50/18/648845018.db2.gz TXKPLNHXGGGOOX-MFKMUULPSA-N 1 0 311.223 2.291 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1F ZINC000826845930 648935466 /nfs/dbraw/zinc/93/54/66/648935466.db2.gz NITSOPGEGUJWNJ-AWEZNQCLSA-N 1 0 303.385 2.005 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1Cl ZINC000827164760 648984388 /nfs/dbraw/zinc/98/43/88/648984388.db2.gz MOVDWAKBXKZISF-CMPLNLGQSA-N 1 0 317.838 2.409 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827173285 648986758 /nfs/dbraw/zinc/98/67/58/648986758.db2.gz WEYVXRKNDQUYBM-GWCFXTLKSA-N 1 0 317.838 2.409 20 10 DECDRO CCOc1cccc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000827210723 648993529 /nfs/dbraw/zinc/99/35/29/648993529.db2.gz QVAGPFUSEPBIOM-UHFFFAOYSA-N 1 0 309.406 2.154 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1F ZINC000827906709 649103219 /nfs/dbraw/zinc/10/32/19/649103219.db2.gz SIHOHBCBJYMSDX-SUMWQHHRSA-N 1 0 307.413 2.416 20 10 DECDRO CC1(C)CCC[N@H+](CCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000830584506 649463997 /nfs/dbraw/zinc/46/39/97/649463997.db2.gz QTUCBPQSPOAYAH-UHFFFAOYSA-N 1 0 310.369 2.089 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC23CCCC3)cc1 ZINC000832267457 649690381 /nfs/dbraw/zinc/69/03/81/649690381.db2.gz SJNOTVJNMDGPFB-HZPDHXFCSA-N 1 0 301.434 2.449 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C3CC3)no2)cc1 ZINC000832284839 649692268 /nfs/dbraw/zinc/69/22/68/649692268.db2.gz NGMFXRBMDLGGBX-AWEZNQCLSA-N 1 0 314.389 2.048 20 10 DECDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834668388 649828336 /nfs/dbraw/zinc/82/83/36/649828336.db2.gz LHIQLXHZGSBDJG-MGPQQGTHSA-N 1 0 309.431 2.325 20 10 DECDRO CN(C(=O)CN1CCCc2cc(C[NH3+])ccc21)c1nccs1 ZINC000844219587 651095428 /nfs/dbraw/zinc/09/54/28/651095428.db2.gz LQTAOAZSXUWHGJ-UHFFFAOYSA-N 1 0 316.430 2.017 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000845010519 651193124 /nfs/dbraw/zinc/19/31/24/651193124.db2.gz MPMBHTTUSRTDRP-GWCFXTLKSA-N 1 0 311.813 2.328 20 10 DECDRO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000845134387 651208457 /nfs/dbraw/zinc/20/84/57/651208457.db2.gz BMBBGJCMHFZBRR-UHFFFAOYSA-N 1 0 311.813 2.329 20 10 DECDRO CCOc1cccc(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1O ZINC000846123428 651309485 /nfs/dbraw/zinc/30/94/85/651309485.db2.gz RKJJBYBSKKTMRE-LSDHHAIUSA-N 1 0 319.401 2.422 20 10 DECDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846143658 651310702 /nfs/dbraw/zinc/31/07/02/651310702.db2.gz FNBZXLVQHFWSQK-RYUDHWBXSA-N 1 0 308.378 2.282 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000846163832 651312263 /nfs/dbraw/zinc/31/22/63/651312263.db2.gz LTDGEVKSOLLJHQ-GFCCVEGCSA-N 1 0 315.435 2.266 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000846166593 651312506 /nfs/dbraw/zinc/31/25/06/651312506.db2.gz AKTKLZRICIYFJL-YWPYICTPSA-N 1 0 311.422 2.209 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000846172983 651313029 /nfs/dbraw/zinc/31/30/29/651313029.db2.gz OQRDVVRECNZAKT-PXAZEXFGSA-N 1 0 309.406 2.229 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC000846442311 651330855 /nfs/dbraw/zinc/33/08/55/651330855.db2.gz MWJFWBKFKGARGU-UHFFFAOYSA-N 1 0 319.449 2.074 20 10 DECDRO CN(CC[NH+]1CCCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846614213 651341076 /nfs/dbraw/zinc/34/10/76/651341076.db2.gz MMMWRGJMMRQQOS-VURMDHGXSA-N 1 0 304.390 2.055 20 10 DECDRO O=C(NCCCSc1nccs1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848400548 651456441 /nfs/dbraw/zinc/45/64/41/651456441.db2.gz LKCPUWXYJKIIIC-SMDDNHRTSA-N 1 0 311.476 2.131 20 10 DECDRO O=C(NCCCSc1nccs1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848400545 651456565 /nfs/dbraw/zinc/45/65/65/651456565.db2.gz LKCPUWXYJKIIIC-BXUZGUMPSA-N 1 0 311.476 2.131 20 10 DECDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000112384515 651512306 /nfs/dbraw/zinc/51/23/06/651512306.db2.gz STGRIKVDCVWEBD-UHFFFAOYSA-N 1 0 306.454 2.284 20 10 DECDRO CCC[N@H+](Cc1cccc(CC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000848880189 651542420 /nfs/dbraw/zinc/54/24/20/651542420.db2.gz LHMVWQQUWNCNQT-HNNXBMFYSA-N 1 0 311.447 2.354 20 10 DECDRO CCc1cccc(CN2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000848885637 651545325 /nfs/dbraw/zinc/54/53/25/651545325.db2.gz VKRGWGGXGUSZPG-UHFFFAOYSA-N 1 0 318.461 2.499 20 10 DECDRO CCc1cccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000848889621 651546813 /nfs/dbraw/zinc/54/68/13/651546813.db2.gz NKZQCQIXTYCSOF-HNNXBMFYSA-N 1 0 304.434 2.109 20 10 DECDRO CCc1cccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1O ZINC000848906119 651553798 /nfs/dbraw/zinc/55/37/98/651553798.db2.gz RUSNCTIZCUYYTG-CQSZACIVSA-N 1 0 306.450 2.232 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)c(C)o1 ZINC000848910825 651556369 /nfs/dbraw/zinc/55/63/69/651556369.db2.gz NJZBXAXSBWWMDG-UHFFFAOYSA-N 1 0 305.330 2.379 20 10 DECDRO [NH2+]=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC1CCC1 ZINC000848993838 651574130 /nfs/dbraw/zinc/57/41/30/651574130.db2.gz QWRCZOUPSTZAMX-UHFFFAOYSA-N 1 0 316.449 2.062 20 10 DECDRO COc1cc(C[NH2+][C@H]2CC(=O)N(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850111086 651831612 /nfs/dbraw/zinc/83/16/12/651831612.db2.gz FNSGIBKUIZGGQQ-LBPRGKRZSA-N 1 0 306.406 2.019 20 10 DECDRO COCCN(C)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850114376 651833065 /nfs/dbraw/zinc/83/30/65/651833065.db2.gz DDKCDDOVGZNSDM-UHFFFAOYSA-N 1 0 324.465 2.366 20 10 DECDRO COCC[C@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850285202 651887490 /nfs/dbraw/zinc/88/74/90/651887490.db2.gz PRSKWHODWGJEIB-CYBMUJFWSA-N 1 0 311.422 2.185 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C/C=C\CO)ccc1N1CCCCC1 ZINC000850357327 651910165 /nfs/dbraw/zinc/91/01/65/651910165.db2.gz FUFCFQUATQRATQ-DJWKRKHSSA-N 1 0 305.378 2.223 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3nccn3C)C2)cc1 ZINC000850488895 651939013 /nfs/dbraw/zinc/93/90/13/651939013.db2.gz PBBCDUUZTHBPFH-KBPBESRZSA-N 1 0 300.406 2.358 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1O ZINC000850520564 651944857 /nfs/dbraw/zinc/94/48/57/651944857.db2.gz VSRBBWNXUGXERZ-SECBINFHSA-N 1 0 311.325 2.020 20 10 DECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850569122 651954597 /nfs/dbraw/zinc/95/45/97/651954597.db2.gz UVOPJWXSBXRNCK-INIZCTEOSA-N 1 0 316.445 2.449 20 10 DECDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114582922 651974863 /nfs/dbraw/zinc/97/48/63/651974863.db2.gz LHFUVSJUXBFRKT-UHFFFAOYSA-N 1 0 321.421 2.073 20 10 DECDRO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3ccccc3O)nc12 ZINC000109769473 652071514 /nfs/dbraw/zinc/07/15/14/652071514.db2.gz TZIWMLUPEGDVRD-UHFFFAOYSA-N 1 0 309.369 2.341 20 10 DECDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC000857226746 652083740 /nfs/dbraw/zinc/08/37/40/652083740.db2.gz YMMNPZPCQAAWCU-SMDDNHRTSA-N 1 0 311.223 2.468 20 10 DECDRO CCOCc1cc(C[NH2+]CCc2cncn2C)ccc1OC ZINC000857783092 652176493 /nfs/dbraw/zinc/17/64/93/652176493.db2.gz SQZKEPNPGLKUPO-UHFFFAOYSA-N 1 0 303.406 2.298 20 10 DECDRO COc1ccc(N2CCC([N@@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000857877858 652194310 /nfs/dbraw/zinc/19/43/10/652194310.db2.gz JGLKCRAJOYQDTD-UHFFFAOYSA-N 1 0 312.417 2.445 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)C3([NH3+])CCCCC3)C2)cc1 ZINC000851639182 652195092 /nfs/dbraw/zinc/19/50/92/652195092.db2.gz CJVFIRQFTHVRER-CQSZACIVSA-N 1 0 317.433 2.052 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000851656738 652199878 /nfs/dbraw/zinc/19/98/78/652199878.db2.gz PKBKRCJVBLSDKF-UHFFFAOYSA-N 1 0 304.438 2.132 20 10 DECDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000851656005 652200284 /nfs/dbraw/zinc/20/02/84/652200284.db2.gz BJFXEPVGFKTSJI-UHFFFAOYSA-N 1 0 314.433 2.134 20 10 DECDRO C[C@](CO)([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858149253 652265549 /nfs/dbraw/zinc/26/55/49/652265549.db2.gz DORRTNKKYJBXJH-CYBMUJFWSA-N 1 0 300.196 2.405 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC2(C)OCCCO2)cc1F ZINC000858160702 652268945 /nfs/dbraw/zinc/26/89/45/652268945.db2.gz NFQYLRUBRPEMOD-UHFFFAOYSA-N 1 0 300.349 2.274 20 10 DECDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172195 652271549 /nfs/dbraw/zinc/27/15/49/652271549.db2.gz MOBHZVWYIOJFSS-LLVKDONJSA-N 1 0 308.376 2.485 20 10 DECDRO CO[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000858186966 652274878 /nfs/dbraw/zinc/27/48/78/652274878.db2.gz GPCSUGODIZJDLF-BDJLRTHQSA-N 1 0 314.376 2.172 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000858209836 652279512 /nfs/dbraw/zinc/27/95/12/652279512.db2.gz WCPVLUIJQOGCFT-CYBMUJFWSA-N 1 0 315.295 2.491 20 10 DECDRO CN1CCOC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000858276708 652295260 /nfs/dbraw/zinc/29/52/60/652295260.db2.gz VTPWNQGYAHRFSA-GOSISDBHSA-N 1 0 312.413 2.479 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000858311257 652302458 /nfs/dbraw/zinc/30/24/58/652302458.db2.gz HUQJUMDTNPMWHW-CABCVRRESA-N 1 0 305.422 2.373 20 10 DECDRO CCCN(CCC)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858338130 652311348 /nfs/dbraw/zinc/31/13/48/652311348.db2.gz CIXWNJGLNHFPLC-IBGZPJMESA-N 1 0 319.493 2.469 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)cc1 ZINC000858434663 652335448 /nfs/dbraw/zinc/33/54/48/652335448.db2.gz MJJVRGPYGOJHOY-XJKSGUPXSA-N 1 0 302.422 2.260 20 10 DECDRO CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000858434448 652335883 /nfs/dbraw/zinc/33/58/83/652335883.db2.gz HBVUPMKYYCTYCF-JKSUJKDBSA-N 1 0 302.422 2.260 20 10 DECDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000852123454 652346738 /nfs/dbraw/zinc/34/67/38/652346738.db2.gz HPGMKTBMSITKMA-UHFFFAOYSA-N 1 0 319.493 2.325 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000852867595 652472501 /nfs/dbraw/zinc/47/25/01/652472501.db2.gz YAOVYWOPXZKLQZ-UHFFFAOYSA-N 1 0 301.434 2.421 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2)CC1 ZINC000853122728 652506307 /nfs/dbraw/zinc/50/63/07/652506307.db2.gz UHNWQGFHRKJYJR-UHFFFAOYSA-N 1 0 318.461 2.433 20 10 DECDRO COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1O ZINC000854315482 652676883 /nfs/dbraw/zinc/67/68/83/652676883.db2.gz WGLLNMYNEJFSEX-ZDUSSCGKSA-N 1 0 321.421 2.073 20 10 DECDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000858598002 685566202 /nfs/dbraw/zinc/56/62/02/685566202.db2.gz AQWKQTBKLZTCLV-LPHOPBHVSA-N 1 0 317.477 2.394 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085324423 684009165 /nfs/dbraw/zinc/00/91/65/684009165.db2.gz XIZAJJTWQAGVIS-NRFANRHFSA-N 1 0 305.399 2.428 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126668653 684156613 /nfs/dbraw/zinc/15/66/13/684156613.db2.gz NECNFCASKOXIFD-INIZCTEOSA-N 1 0 310.463 2.200 20 10 DECDRO CCC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000130718030 684192081 /nfs/dbraw/zinc/19/20/81/684192081.db2.gz LXWOSMYGKBHWNF-UHFFFAOYSA-N 1 0 304.312 2.283 20 10 DECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159472100 684316041 /nfs/dbraw/zinc/31/60/41/684316041.db2.gz PFDBSMIYYNANSH-ZDUSSCGKSA-N 1 0 307.390 2.484 20 10 DECDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188916663 684367051 /nfs/dbraw/zinc/36/70/51/684367051.db2.gz NEWGIZIEUDFEAE-HNNXBMFYSA-N 1 0 315.369 2.123 20 10 DECDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000304027742 685243920 /nfs/dbraw/zinc/24/39/20/685243920.db2.gz FIEXLVPVPBGFBG-YJBOKZPZSA-N 1 0 306.450 2.410 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H](C)[NH3+])cc1F ZINC000861573211 686147183 /nfs/dbraw/zinc/14/71/83/686147183.db2.gz DUFPOHHXCHWJQN-GFCCVEGCSA-N 1 0 310.417 2.161 20 10 DECDRO CCN(CC[NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000861574452 686147792 /nfs/dbraw/zinc/14/77/92/686147792.db2.gz VBTYEZSKZHBRCM-UHFFFAOYSA-N 1 0 310.417 2.162 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862428440 686300306 /nfs/dbraw/zinc/30/03/06/686300306.db2.gz QIFZNLHKTRUULL-KEGWNNHHSA-N 1 0 301.434 2.318 20 10 DECDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862475562 686307488 /nfs/dbraw/zinc/30/74/88/686307488.db2.gz OQQZXNTUIIUNDI-HNNXBMFYSA-N 1 0 313.781 2.118 20 10 DECDRO COc1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000862546407 686319667 /nfs/dbraw/zinc/31/96/67/686319667.db2.gz LJYPWYMBKRWLHC-TZMCWYRMSA-N 1 0 319.401 2.303 20 10 DECDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(N2CCCCC2)c(F)c1 ZINC000863545372 686519106 /nfs/dbraw/zinc/51/91/06/686519106.db2.gz PVKRVZYFUVRQLV-HOCLYGCPSA-N 1 0 321.440 2.455 20 10 DECDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863651699 686540766 /nfs/dbraw/zinc/54/07/66/686540766.db2.gz KZKCOYLPSZDOFK-ZDUSSCGKSA-N 1 0 306.410 2.364 20 10 DECDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)C1(O)CCC1 ZINC000929972219 694061315 /nfs/dbraw/zinc/06/13/15/694061315.db2.gz SDYOUJIYYLLBOU-KRWDZBQOSA-N 1 0 317.385 2.263 20 10 DECDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865666671 687295159 /nfs/dbraw/zinc/29/51/59/687295159.db2.gz RRJFIJKWUHQKDG-AZUAARDMSA-N 1 0 324.424 2.099 20 10 DECDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000865737898 687318221 /nfs/dbraw/zinc/31/82/21/687318221.db2.gz HEBCRDLPQHGPLQ-GUYCJALGSA-N 1 0 320.458 2.216 20 10 DECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865873292 687363045 /nfs/dbraw/zinc/36/30/45/687363045.db2.gz VZRKOFXWQAVDRN-DZGCQCFKSA-N 1 0 310.413 2.301 20 10 DECDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000930212170 694113438 /nfs/dbraw/zinc/11/34/38/694113438.db2.gz ZEMPNUMZVFQTIO-CYBMUJFWSA-N 1 0 316.405 2.108 20 10 DECDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)on1 ZINC000866516893 687597163 /nfs/dbraw/zinc/59/71/63/687597163.db2.gz WVZVCXUFOMXMSC-JTQLQIEISA-N 1 0 320.345 2.416 20 10 DECDRO Cc1cccnc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000866659613 687642933 /nfs/dbraw/zinc/64/29/33/687642933.db2.gz PHFMZKOIGBESCE-UHFFFAOYSA-N 1 0 310.401 2.240 20 10 DECDRO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c(O)c1O ZINC000870256297 688524379 /nfs/dbraw/zinc/52/43/79/688524379.db2.gz FIKUPJOZNUUSDL-UHFFFAOYSA-N 1 0 318.417 2.497 20 10 DECDRO CN1CCCc2cc(CNC(=O)CC[NH2+]CC3CC3)ccc21 ZINC000870876012 688675045 /nfs/dbraw/zinc/67/50/45/688675045.db2.gz TTWGSDNIGSTPNZ-UHFFFAOYSA-N 1 0 301.434 2.075 20 10 DECDRO O=C(CCC12CC(C1)C[NH2+]2)NCCCSc1nccs1 ZINC000870886401 688678254 /nfs/dbraw/zinc/67/82/54/688678254.db2.gz HGMAZLRGARABIJ-UHFFFAOYSA-N 1 0 311.476 2.274 20 10 DECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000872635592 689053676 /nfs/dbraw/zinc/05/36/76/689053676.db2.gz TUUPGIBKJYESSC-GTNSWQLSSA-N 1 0 323.389 2.040 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)[C@H](O)CO2 ZINC000872721483 689074373 /nfs/dbraw/zinc/07/43/73/689074373.db2.gz JDPJRALDKJUNJM-IXPVHAAZSA-N 1 0 307.415 2.003 20 10 DECDRO C[S@](=N)(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000872799218 689095532 /nfs/dbraw/zinc/09/55/32/689095532.db2.gz YWCUKIZRJRKQLX-JOCHJYFZSA-N 1 0 319.430 2.255 20 10 DECDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873038655 689146274 /nfs/dbraw/zinc/14/62/74/689146274.db2.gz UCJSPFKFBJRUNH-KRWDZBQOSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc1Cn1cccn1 ZINC000873059159 689150506 /nfs/dbraw/zinc/15/05/06/689150506.db2.gz XPKWWBIRXGZWAA-UONOGXRCSA-N 1 0 303.406 2.047 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1Cn1cccn1 ZINC000873059545 689151200 /nfs/dbraw/zinc/15/12/00/689151200.db2.gz TVMMDQARPYMXGA-LSDHHAIUSA-N 1 0 317.433 2.437 20 10 DECDRO CC[C@H](O)CC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873081263 689155746 /nfs/dbraw/zinc/15/57/46/689155746.db2.gz ZGMAZGFDIAACRU-INIZCTEOSA-N 1 0 303.406 2.191 20 10 DECDRO COc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1Cn1cccn1 ZINC000873097275 689158579 /nfs/dbraw/zinc/15/85/79/689158579.db2.gz MOBSLROJAWCCOK-ZDUSSCGKSA-N 1 0 303.406 2.189 20 10 DECDRO CCOc1ccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000873227234 689188847 /nfs/dbraw/zinc/18/88/47/689188847.db2.gz IFVBFVDTHSHEGF-YPMHNXCESA-N 1 0 318.339 2.360 20 10 DECDRO C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+](C)C ZINC000874446119 689416262 /nfs/dbraw/zinc/41/62/62/689416262.db2.gz XTVQBTMALHWHOU-OAHLLOKOSA-N 1 0 303.450 2.489 20 10 DECDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875536788 689645623 /nfs/dbraw/zinc/64/56/23/689645623.db2.gz KJMJCYSBNZIBTG-UHFFFAOYSA-N 1 0 315.417 2.292 20 10 DECDRO CNc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506866 689841870 /nfs/dbraw/zinc/84/18/70/689841870.db2.gz PNNVYEZZCKFZOU-MRXNPFEDSA-N 1 0 312.417 2.224 20 10 DECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876610455 689875492 /nfs/dbraw/zinc/87/54/92/689875492.db2.gz ZWSSKFPCXAQVTE-GOSISDBHSA-N 1 0 304.434 2.259 20 10 DECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000876728521 689918218 /nfs/dbraw/zinc/91/82/18/689918218.db2.gz OPIHKBAAMUWNTB-BJIFSAINSA-N 1 0 313.445 2.459 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876767283 689931207 /nfs/dbraw/zinc/93/12/07/689931207.db2.gz FOTHKTWHDMLGSZ-AEFFLSMTSA-N 1 0 301.434 2.209 20 10 DECDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873812 689960936 /nfs/dbraw/zinc/96/09/36/689960936.db2.gz QVKFLTFJHKXROU-BZOVTKSESA-N 1 0 301.434 2.123 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876904986 689969374 /nfs/dbraw/zinc/96/93/74/689969374.db2.gz BOTGRNKZUFFYOM-UHFFFAOYSA-N 1 0 315.377 2.351 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)OC)cc1C ZINC001034874962 689975434 /nfs/dbraw/zinc/97/54/34/689975434.db2.gz UXWLDHNCBWVHRA-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(C)C)C2)cc1 ZINC000876959776 689983325 /nfs/dbraw/zinc/98/33/25/689983325.db2.gz OZBLLFJNRQCBGI-PBHICJAKSA-N 1 0 319.449 2.154 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000876966366 689984629 /nfs/dbraw/zinc/98/46/29/689984629.db2.gz SPYBPKMBHCUIDQ-OAHLLOKOSA-N 1 0 301.390 2.057 20 10 DECDRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876985906 689990314 /nfs/dbraw/zinc/99/03/14/689990314.db2.gz VNVCLTMZMYEFKR-UHFFFAOYSA-N 1 0 314.385 2.115 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000876985434 689990654 /nfs/dbraw/zinc/99/06/54/689990654.db2.gz CHJSZWRHPZUBKS-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000877031305 690002326 /nfs/dbraw/zinc/00/23/26/690002326.db2.gz POLPJDCEUKQLJA-KRWDZBQOSA-N 1 0 304.434 2.434 20 10 DECDRO OC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877094198 690016633 /nfs/dbraw/zinc/01/66/33/690016633.db2.gz OHFITJBPXWGJJX-CALCHBBNSA-N 1 0 318.461 2.288 20 10 DECDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877322463 690076503 /nfs/dbraw/zinc/07/65/03/690076503.db2.gz HWPUQKLOEFEUQB-GOSISDBHSA-N 1 0 318.461 2.383 20 10 DECDRO Cc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000877421454 690107426 /nfs/dbraw/zinc/10/74/26/690107426.db2.gz JNTYFRSYIHZZRU-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO C[N@H+](CCCCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877484925 690128148 /nfs/dbraw/zinc/12/81/48/690128148.db2.gz HYQUBFFHYSZADD-UHFFFAOYSA-N 1 0 306.450 2.242 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)[C@]12CCCO2 ZINC000877493292 690130417 /nfs/dbraw/zinc/13/04/17/690130417.db2.gz JWBGHXABMMMPIG-BRWVUGGUSA-N 1 0 307.390 2.217 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCC3(O)CCC3)cc2)CC1 ZINC000877508095 690135162 /nfs/dbraw/zinc/13/51/62/690135162.db2.gz RXYHPPBDTUCTNF-UHFFFAOYSA-N 1 0 304.434 2.042 20 10 DECDRO COCCc1ncc(C[NH2+]Cc2cccc(OC)c2O)s1 ZINC000877527021 690141745 /nfs/dbraw/zinc/14/17/45/690141745.db2.gz XEPJZYZNRFUXJG-UHFFFAOYSA-N 1 0 308.403 2.336 20 10 DECDRO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)[nH]1 ZINC000877526943 690141750 /nfs/dbraw/zinc/14/17/50/690141750.db2.gz WLFSQZRVZKWRGT-UHFFFAOYSA-N 1 0 304.346 2.195 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c(cn2)OCCO3)c1 ZINC000877533043 690143401 /nfs/dbraw/zinc/14/34/01/690143401.db2.gz KBIRKVIIIFJXIB-LLVKDONJSA-N 1 0 316.357 2.418 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000877532029 690143471 /nfs/dbraw/zinc/14/34/71/690143471.db2.gz BKZHWGRTUQYDIH-RWMBFGLXSA-N 1 0 306.406 2.499 20 10 DECDRO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877591367 690161301 /nfs/dbraw/zinc/16/13/01/690161301.db2.gz CPRYEJGTVNPMGO-IRXDYDNUSA-N 1 0 318.461 2.288 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@]1(C)CO ZINC000877639748 690176130 /nfs/dbraw/zinc/17/61/30/690176130.db2.gz DVKKTDADMYWLRZ-DNVCBOLYSA-N 1 0 318.461 2.098 20 10 DECDRO CCc1cccc(C[NH2+]CCOCC(=O)OC(C)(C)C)c1O ZINC000877673468 690186054 /nfs/dbraw/zinc/18/60/54/690186054.db2.gz GCGFYWQUMOQULE-UHFFFAOYSA-N 1 0 309.406 2.403 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCOC1 ZINC000877698324 690195372 /nfs/dbraw/zinc/19/53/72/690195372.db2.gz JDGYSZSNCWCROI-SFHVURJKSA-N 1 0 319.401 2.071 20 10 DECDRO COc1ccc(N2CC[NH+](CCC[C@H]3CCO3)CC2)c(OC)c1 ZINC000877708433 690198590 /nfs/dbraw/zinc/19/85/90/690198590.db2.gz LUWLUMGKSDSTCG-HNNXBMFYSA-N 1 0 320.433 2.395 20 10 DECDRO COc1cc(O)c(C[NH2+]CC[C@H](O)C2CCCC2)cc1OC ZINC000877777692 690224555 /nfs/dbraw/zinc/22/45/55/690224555.db2.gz FGRRNIVSMWENBN-AWEZNQCLSA-N 1 0 309.406 2.440 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878241914 690355790 /nfs/dbraw/zinc/35/57/90/690355790.db2.gz KGNDOSFUQBIHSS-AEFFLSMTSA-N 1 0 301.386 2.309 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H](OC)C1 ZINC000878728898 690487783 /nfs/dbraw/zinc/48/77/83/690487783.db2.gz VVGWVVPKZXFROB-OTVXOJSOSA-N 1 0 307.390 2.182 20 10 DECDRO CCN(C)c1ccc(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878865034 690516476 /nfs/dbraw/zinc/51/64/76/690516476.db2.gz DFKTVIGDJNLBJQ-GOSISDBHSA-N 1 0 305.466 2.031 20 10 DECDRO C[C@@H]([NH2+]Cc1ccncc1N)c1ccc(N2CCOCC2)cc1 ZINC000882924019 691387868 /nfs/dbraw/zinc/38/78/68/691387868.db2.gz SXRZVIBEVPCQII-CQSZACIVSA-N 1 0 312.417 2.351 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1 ZINC000883269461 691469153 /nfs/dbraw/zinc/46/91/53/691469153.db2.gz LCRCMZNDRIDILB-AWEZNQCLSA-N 1 0 305.374 2.325 20 10 DECDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000886109430 692005043 /nfs/dbraw/zinc/00/50/43/692005043.db2.gz KFFATOUUQKABLP-BLLLJJGKSA-N 1 0 314.376 2.190 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886262305 692038197 /nfs/dbraw/zinc/03/81/97/692038197.db2.gz OHOKHMYMFRZFJO-RRWPTXEPSA-N 1 0 304.434 2.020 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000886267738 692040413 /nfs/dbraw/zinc/04/04/13/692040413.db2.gz UGVOFNWCWUCWEC-MAUKXSAKSA-N 1 0 304.434 2.490 20 10 DECDRO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1c([O-])cccc1F ZINC000886524207 692101255 /nfs/dbraw/zinc/10/12/55/692101255.db2.gz FYGSJFVCLVPOQH-AWEZNQCLSA-N 1 0 309.429 2.210 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000894371837 692983707 /nfs/dbraw/zinc/98/37/07/692983707.db2.gz HJVNRRZSIUVQHT-WMLDXEAASA-N 1 0 307.390 2.137 20 10 DECDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000924648417 693164701 /nfs/dbraw/zinc/16/47/01/693164701.db2.gz MYYCSJWUAHCJIW-HOCLYGCPSA-N 1 0 301.434 2.434 20 10 DECDRO CC1CCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925556859 693296792 /nfs/dbraw/zinc/29/67/92/693296792.db2.gz MSKCOWHZGSWYPC-KRWDZBQOSA-N 1 0 303.450 2.001 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CNOC1)c1cc(Br)ccc1O ZINC000925861543 693356098 /nfs/dbraw/zinc/35/60/98/693356098.db2.gz DZHRCVZOHRYDOK-MWLCHTKSSA-N 1 0 301.184 2.099 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cnn(C)n3)C2)cc1 ZINC000926612259 693478752 /nfs/dbraw/zinc/47/87/52/693478752.db2.gz MZWWCZPESIGNPN-ZIAGYGMSSA-N 1 0 315.421 2.001 20 10 DECDRO CC(C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001334218167 1150234583 /nfs/dbraw/zinc/23/45/83/1150234583.db2.gz SHNQDQWDNSJKNH-INIZCTEOSA-N 1 0 322.453 2.242 20 10 DECDRO Nc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC001334773990 1150340882 /nfs/dbraw/zinc/34/08/82/1150340882.db2.gz BXRZWHFHOPTTPT-UHFFFAOYSA-N 1 0 315.339 2.159 20 10 DECDRO COc1ccc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c(O)c1OC ZINC001343188594 1150706825 /nfs/dbraw/zinc/70/68/25/1150706825.db2.gz KSSJKTMNHOGNPU-CYBMUJFWSA-N 1 0 320.433 2.326 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001343916698 1150783759 /nfs/dbraw/zinc/78/37/59/1150783759.db2.gz WYCRWYMBUUIFTE-UKRRQHHQSA-N 1 0 323.433 2.477 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCn1cc(CO)nn1 ZINC001347341672 1151057656 /nfs/dbraw/zinc/05/76/56/1151057656.db2.gz SBJODZBMYMXMKS-OCCSQVGLSA-N 1 0 316.405 2.013 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC001353456033 1151831828 /nfs/dbraw/zinc/83/18/28/1151831828.db2.gz ORRXWAPLICZGGM-HNNXBMFYSA-N 1 0 318.465 2.330 20 10 DECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001354604124 1151907311 /nfs/dbraw/zinc/90/73/11/1151907311.db2.gz OKYDWFVINQNMGD-LSDHHAIUSA-N 1 0 320.433 2.201 20 10 DECDRO Cc1c(N)cc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426998 777019795 /nfs/dbraw/zinc/01/97/95/777019795.db2.gz SPIHBOXGBWLAIR-UHFFFAOYSA-N 1 0 311.433 2.336 20 10 DECDRO CC[C@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)ccc1O ZINC000693951371 777618745 /nfs/dbraw/zinc/61/87/45/777618745.db2.gz CSIQAFIFESPWOB-QWRGUYRKSA-N 1 0 313.195 2.084 20 10 DECDRO COC[C@H](CC[NH2+]Cc1cc(Br)ccc1O)OC ZINC000694298527 777778646 /nfs/dbraw/zinc/77/86/46/777778646.db2.gz KLAILBSKVLBCDA-LBPRGKRZSA-N 1 0 318.211 2.296 20 10 DECDRO CCCNc1cc(C)[nH+]c(NCCc2cc(O)c(O)cc2O)n1 ZINC001168009907 779300804 /nfs/dbraw/zinc/30/08/04/779300804.db2.gz LLSTWPOYAJPTMW-UHFFFAOYSA-N 1 0 318.377 2.378 20 10 DECDRO C[NH+](C)[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299463 790847794 /nfs/dbraw/zinc/84/77/94/790847794.db2.gz XKHFCKZANMNCLW-JTQLQIEISA-N 1 0 317.202 2.430 20 10 DECDRO COc1cccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)c1OC ZINC001144515764 790943869 /nfs/dbraw/zinc/94/38/69/790943869.db2.gz XYGMVICVKQOVEC-UHFFFAOYSA-N 1 0 319.357 2.453 20 10 DECDRO CC[C@H](OC)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155505249 784517543 /nfs/dbraw/zinc/51/75/43/784517543.db2.gz QYGLTQDJQPSHID-HNNXBMFYSA-N 1 0 308.422 2.025 20 10 DECDRO [NH3+][C@@H]1CCN(Cc2cccc(NCc3ccc(O)c(O)c3)c2)C1 ZINC001169996973 785839894 /nfs/dbraw/zinc/83/98/94/785839894.db2.gz OUWKSYUYFIRNMS-OAHLLOKOSA-N 1 0 313.401 2.243 20 10 DECDRO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086562339 786253700 /nfs/dbraw/zinc/25/37/00/786253700.db2.gz LUYILLGNDRMUQL-YEORSEQZSA-N 1 0 317.393 2.355 20 10 DECDRO CC[C@H](C)[C@@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130514761 787417656 /nfs/dbraw/zinc/41/76/56/787417656.db2.gz DXCLURPHFNIQEA-SUMWQHHRSA-N 1 0 322.449 2.271 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC23CCC3)cc1C ZINC001134450238 788927808 /nfs/dbraw/zinc/92/78/08/788927808.db2.gz WGSKWCABQKQCHC-OAHLLOKOSA-N 1 0 302.418 2.400 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c(F)cccc3C2)cc1O ZINC001171393396 792225182 /nfs/dbraw/zinc/22/51/82/792225182.db2.gz OXNMUGNDIQXKIQ-UGSOOPFHSA-N 1 0 317.360 2.417 20 10 DECDRO [NH3+][C@@H]1CCN(Cc2cc(Br)ccc2O)CC[C@H]1F ZINC001206153724 793272314 /nfs/dbraw/zinc/27/23/14/793272314.db2.gz FICHONHJEWIRJJ-VXGBXAGGSA-N 1 0 317.202 2.416 20 10 DECDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206196346 793647118 /nfs/dbraw/zinc/64/71/18/793647118.db2.gz BJWOKZRFHXCDRY-VXGBXAGGSA-N 1 0 302.777 2.315 20 10 DECDRO Cc1cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc(C)[nH+]1 ZINC001176052671 794349393 /nfs/dbraw/zinc/34/93/93/794349393.db2.gz SUCYKXBOAPJZHK-UHFFFAOYSA-N 1 0 305.403 2.247 20 10 DECDRO C[NH+](C)CCOc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001176226291 794380635 /nfs/dbraw/zinc/38/06/35/794380635.db2.gz ACJQFVXUSXQFKF-UHFFFAOYSA-N 1 0 315.417 2.340 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001118338227 795178482 /nfs/dbraw/zinc/17/84/82/795178482.db2.gz POYRPAXGAYJRRD-IRXDYDNUSA-N 1 0 319.449 2.107 20 10 DECDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3O)CC2)C1 ZINC001180262569 795267949 /nfs/dbraw/zinc/26/79/49/795267949.db2.gz ZLSHVAYXMQFTPH-MRXNPFEDSA-N 1 0 323.868 2.257 20 10 DECDRO Cc1cc(Br)cc(C[NH2+][C@H](C)C[S@](C)=O)c1O ZINC001180305648 795270583 /nfs/dbraw/zinc/27/05/83/795270583.db2.gz NGLPHKXOCKUBAP-XLFHBGCDSA-N 1 0 320.252 2.320 20 10 DECDRO COc1cc(C)c(C[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1 ZINC001180866030 795386561 /nfs/dbraw/zinc/38/65/61/795386561.db2.gz XUCVGFWJDOERFC-OAHLLOKOSA-N 1 0 322.449 2.300 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1C[NH3+] ZINC001120494993 795472426 /nfs/dbraw/zinc/47/24/26/795472426.db2.gz DMRXZMKOFFKKMW-TZMCWYRMSA-N 1 0 322.428 2.018 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H](C)OC)C2)cc1C ZINC001181567741 795504153 /nfs/dbraw/zinc/50/41/53/795504153.db2.gz BMHQTVKRBUOPES-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO CC[C@H](C)[NH+]1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001121273647 795611328 /nfs/dbraw/zinc/61/13/28/795611328.db2.gz HXKACXYVNXBIIJ-NSHDSACASA-N 1 0 321.450 2.170 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)C(F)(F)F)cc1 ZINC001121893208 795699278 /nfs/dbraw/zinc/69/92/78/795699278.db2.gz VYXBNOZCEMOHMV-GFCCVEGCSA-N 1 0 317.355 2.457 20 10 DECDRO COc1cc(CN2CC[NH+](CC3CCCC3)CC2)cc(O)c1O ZINC001204345438 795704791 /nfs/dbraw/zinc/70/47/91/795704791.db2.gz SHFHGHKHWGBPPI-UHFFFAOYSA-N 1 0 320.433 2.414 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CC[NH3+])cc1 ZINC001122005342 795715909 /nfs/dbraw/zinc/71/59/09/795715909.db2.gz YJOKIBDGRMMUGW-UHFFFAOYSA-N 1 0 311.429 2.492 20 10 DECDRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1 ZINC001182872131 795771314 /nfs/dbraw/zinc/77/13/14/795771314.db2.gz BEGMGKKYBXNXEJ-YLGBZRSBSA-N 1 0 311.447 2.489 20 10 DECDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000152897299 795867138 /nfs/dbraw/zinc/86/71/38/795867138.db2.gz IKTGNCJPKNZANP-KRWDZBQOSA-N 1 0 301.434 2.387 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC([C@H](F)C(N)=O)CC2)c(Cl)c1 ZINC001183618409 795907383 /nfs/dbraw/zinc/90/73/83/795907383.db2.gz HHZKLLDSYGKLSM-AWEZNQCLSA-N 1 0 314.788 2.389 20 10 DECDRO CN(C1COC1)C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219607 796184853 /nfs/dbraw/zinc/18/48/53/796184853.db2.gz JIZRBGZLVGCBRD-UHFFFAOYSA-N 1 0 315.461 2.192 20 10 DECDRO Cc1c(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c2ccccc2n1C ZINC001138257988 796187876 /nfs/dbraw/zinc/18/78/76/796187876.db2.gz GTSFQQDFJJZKTI-OAHLLOKOSA-N 1 0 313.445 2.392 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)CCCO1 ZINC001138259912 796189204 /nfs/dbraw/zinc/18/92/04/796189204.db2.gz QXVPHMWFACPUAH-KRWDZBQOSA-N 1 0 316.401 2.251 20 10 DECDRO COC(=O)[C@@]1(F)CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354445 796204608 /nfs/dbraw/zinc/20/46/08/796204608.db2.gz KEFOWVRHBUYQDL-QGZVFWFLSA-N 1 0 306.381 2.156 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCN(c4cccnn4)CC3)ccc21 ZINC001138358168 796205629 /nfs/dbraw/zinc/20/56/29/796205629.db2.gz OVNPKCPEBCGPOT-UHFFFAOYSA-N 1 0 323.444 2.181 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(OC)c1 ZINC001138391981 796211882 /nfs/dbraw/zinc/21/18/82/796211882.db2.gz LWVBRZJIMYCGMJ-QGZVFWFLSA-N 1 0 303.450 2.431 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(OC)c1 ZINC001138391980 796211936 /nfs/dbraw/zinc/21/19/36/796211936.db2.gz LWVBRZJIMYCGMJ-KRWDZBQOSA-N 1 0 303.450 2.431 20 10 DECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138470813 796222991 /nfs/dbraw/zinc/22/29/91/796222991.db2.gz PUVAXKYUYPKEHT-UHFFFAOYSA-N 1 0 316.405 2.284 20 10 DECDRO FC1C[C@@H]2COC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC001138499568 796227473 /nfs/dbraw/zinc/22/74/73/796227473.db2.gz RYUGDPYHQYZIOP-ZNXRZULTSA-N 1 0 320.408 2.225 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCC([NH+]2CCC2)CC1 ZINC001138501048 796228819 /nfs/dbraw/zinc/22/88/19/796228819.db2.gz KZQBIJOBXNLREW-UHFFFAOYSA-N 1 0 315.461 2.193 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](CCO)C1 ZINC001139129258 796329553 /nfs/dbraw/zinc/32/95/53/796329553.db2.gz SPNNXSFDOAFAMP-CYBMUJFWSA-N 1 0 317.385 2.401 20 10 DECDRO CCN1CC[C@]2(CCC[N@H+](Cc3ccc(OC)cc3O)C2)C1=O ZINC001203629413 796331203 /nfs/dbraw/zinc/33/12/03/796331203.db2.gz JAOSTQNHAUZPLC-SFHVURJKSA-N 1 0 318.417 2.235 20 10 DECDRO COc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139253983 796349833 /nfs/dbraw/zinc/34/98/33/796349833.db2.gz ADUJYHNBKWZCTJ-QEJZJMRPSA-N 1 0 308.397 2.252 20 10 DECDRO COc1cc(CN2C[C@@H](C)OC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139261030 796351512 /nfs/dbraw/zinc/35/15/12/796351512.db2.gz SFDWHJQCXIZFEI-QWHCGFSZSA-N 1 0 308.422 2.072 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1O ZINC001139404595 796371103 /nfs/dbraw/zinc/37/11/03/796371103.db2.gz PXIGVNTZTMSQES-VQIMIIECSA-N 1 0 317.477 2.031 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186354256 796392455 /nfs/dbraw/zinc/39/24/55/796392455.db2.gz CGRNNQVGQMHJPY-INIZCTEOSA-N 1 0 303.450 2.443 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCOC4)cc2)CC1 ZINC001140288146 796502441 /nfs/dbraw/zinc/50/24/41/796502441.db2.gz PDZQLFPRXBXFIA-LJQANCHMSA-N 1 0 316.445 2.403 20 10 DECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140288120 796502703 /nfs/dbraw/zinc/50/27/03/796502703.db2.gz NQULEYRUHBARMY-HKUYNNGSSA-N 1 0 316.445 2.401 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001140299785 796503163 /nfs/dbraw/zinc/50/31/63/796503163.db2.gz FUPBGGSTUSUJPS-CALCHBBNSA-N 1 0 317.477 2.438 20 10 DECDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140342597 796510984 /nfs/dbraw/zinc/51/09/84/796510984.db2.gz QJFSTPIQYAQJMH-FZMZJTMJSA-N 1 0 308.809 2.488 20 10 DECDRO Cc1ccnc(O[C@H]2CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585457 796542007 /nfs/dbraw/zinc/54/20/07/796542007.db2.gz JCUSJVWMLGVCQY-LBPRGKRZSA-N 1 0 321.327 2.422 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC001140622929 796546904 /nfs/dbraw/zinc/54/69/04/796546904.db2.gz FLITWSQUKHLHLV-UHFFFAOYSA-N 1 0 318.808 2.466 20 10 DECDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660433 796552074 /nfs/dbraw/zinc/55/20/74/796552074.db2.gz RMOQPYJZMFCALL-INIZCTEOSA-N 1 0 308.397 2.009 20 10 DECDRO Cc1c(O)ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1O ZINC001140742752 796566059 /nfs/dbraw/zinc/56/60/59/796566059.db2.gz XREQWQWZMHLLIK-UHFFFAOYSA-N 1 0 310.394 2.363 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC001140746023 796566914 /nfs/dbraw/zinc/56/69/14/796566914.db2.gz SOKFSQNLKHEMHE-HNNXBMFYSA-N 1 0 318.417 2.383 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1O ZINC001140748567 796567219 /nfs/dbraw/zinc/56/72/19/796567219.db2.gz NQZDXWMZAHKFSN-QGZVFWFLSA-N 1 0 304.390 2.041 20 10 DECDRO CCN1CCC2(CC[NH+](Cc3ccc(O)c(C)c3O)CC2)C1=O ZINC001140747926 796567656 /nfs/dbraw/zinc/56/76/56/796567656.db2.gz NWMBADFBVSEAAL-UHFFFAOYSA-N 1 0 318.417 2.241 20 10 DECDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749683 796567755 /nfs/dbraw/zinc/56/77/55/796567755.db2.gz JDWZCEJEUBPDTJ-UHFFFAOYSA-N 1 0 306.406 2.239 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC001140855604 796584111 /nfs/dbraw/zinc/58/41/11/796584111.db2.gz FHMFWESPYAGKDV-WMLDXEAASA-N 1 0 303.450 2.374 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c(O)c1 ZINC001140949712 796605141 /nfs/dbraw/zinc/60/51/41/796605141.db2.gz HAJBTLNOHZTHEY-PHZGNYQRSA-N 1 0 314.429 2.437 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c(O)c1 ZINC001140952306 796606401 /nfs/dbraw/zinc/60/64/01/796606401.db2.gz MGVQNFUBKNOZMW-SFHVURJKSA-N 1 0 310.401 2.345 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC3(C[C@H]3CCO)CC2)c(OC)c1 ZINC001141026386 796620220 /nfs/dbraw/zinc/62/02/20/796620220.db2.gz OONFDLBGNYZOTL-CYBMUJFWSA-N 1 0 321.417 2.394 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c(OC)c1 ZINC001141030799 796621207 /nfs/dbraw/zinc/62/12/07/796621207.db2.gz LREZQNYJBMWIDL-UHFFFAOYSA-N 1 0 316.357 2.068 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032696 796622669 /nfs/dbraw/zinc/62/26/69/796622669.db2.gz MXQAVBKHAIOFMB-LBPRGKRZSA-N 1 0 323.389 2.185 20 10 DECDRO Oc1ccc(O)c(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)c1 ZINC001141163216 796643907 /nfs/dbraw/zinc/64/39/07/796643907.db2.gz VYBLMWFNGYENQG-UHFFFAOYSA-N 1 0 319.336 2.070 20 10 DECDRO COc1ccc(O[C@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)nc1 ZINC001141163313 796643955 /nfs/dbraw/zinc/64/39/55/796643955.db2.gz ZMBKYPMOENBTCJ-HNNXBMFYSA-N 1 0 316.357 2.155 20 10 DECDRO CCN(C(C)=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203680903 796656254 /nfs/dbraw/zinc/65/62/54/796656254.db2.gz IQNNBCMEMLVTLF-UHFFFAOYSA-N 1 0 306.406 2.234 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857746 796745052 /nfs/dbraw/zinc/74/50/52/796745052.db2.gz RCTIAPUUAYTGER-GHMZBOCLSA-N 1 0 314.480 2.194 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCCOC2)cc1C ZINC001151279038 797028883 /nfs/dbraw/zinc/02/88/83/797028883.db2.gz DMHZLYPKVXAHAX-MRXNPFEDSA-N 1 0 320.433 2.026 20 10 DECDRO COc1cc(C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+])cc(O)c1O ZINC001193119353 797506476 /nfs/dbraw/zinc/50/64/76/797506476.db2.gz HHKIIXWJCMYYCS-NSHDSACASA-N 1 0 324.421 2.237 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)COC(C)(C)C)cc1C ZINC001156836071 798091819 /nfs/dbraw/zinc/09/18/19/798091819.db2.gz LNEVVXOYXJTIIF-UHFFFAOYSA-N 1 0 322.449 2.415 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CO[C@H](C)C2)cc1C ZINC001161331339 798829419 /nfs/dbraw/zinc/82/94/19/798829419.db2.gz KFDSJJIVRPGBMF-ZBFHGGJFSA-N 1 0 320.433 2.025 20 10 DECDRO CCN1CC[C@@]2(C[N@H+](Cc3cccc(OC)c3O)C[C@@H]2C)C1=O ZINC001203593102 800086841 /nfs/dbraw/zinc/08/68/41/800086841.db2.gz YZWBEBOEDXENCN-UGSOOPFHSA-N 1 0 318.417 2.091 20 10 DECDRO CCNC(=O)OC1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634358 800095738 /nfs/dbraw/zinc/09/57/38/800095738.db2.gz AXVSUNCVUAEXLY-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO COc1ncnc2c1CC[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203659394 800101262 /nfs/dbraw/zinc/10/12/62/800101262.db2.gz USPCGYFAVCTXHF-UHFFFAOYSA-N 1 0 319.792 2.445 20 10 DECDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673316 800104412 /nfs/dbraw/zinc/10/44/12/800104412.db2.gz UYRIQLGUNCQMHY-QZTJIDSGSA-N 1 0 321.417 2.418 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c1 ZINC001203680916 800104837 /nfs/dbraw/zinc/10/48/37/800104837.db2.gz JNIXPYXTRPUCSD-OAHLLOKOSA-N 1 0 315.373 2.153 20 10 DECDRO CN(CC[N@H+](C)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001203874147 800137656 /nfs/dbraw/zinc/13/76/56/800137656.db2.gz QHKBTTJNSRPYMF-UHFFFAOYSA-N 1 0 310.394 2.397 20 10 DECDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203932995 800147980 /nfs/dbraw/zinc/14/79/80/800147980.db2.gz FQLJCEZFQZDGOL-KRWDZBQOSA-N 1 0 315.461 2.443 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001204275016 800198098 /nfs/dbraw/zinc/19/80/98/800198098.db2.gz LNECEYQNGHBWJA-SJLPKXTDSA-N 1 0 319.401 2.258 20 10 DECDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328629 800205597 /nfs/dbraw/zinc/20/55/97/800205597.db2.gz KZIGRNQWWPUODB-SFHVURJKSA-N 1 0 301.434 2.339 20 10 DECDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001205829525 800428865 /nfs/dbraw/zinc/42/88/65/800428865.db2.gz PAGRBNNJGHOUMW-YOEHRIQHSA-N 1 0 321.440 2.222 20 10 DECDRO C[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1[NH3+] ZINC001205880675 800437245 /nfs/dbraw/zinc/43/72/45/800437245.db2.gz OLRUFYCMFLMOKW-KOLCDFICSA-N 1 0 304.312 2.460 20 10 DECDRO CC(=O)N1CCC[C@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001208972255 801105614 /nfs/dbraw/zinc/10/56/14/801105614.db2.gz CLLGMRFUDFLZQR-CQSZACIVSA-N 1 0 318.417 2.105 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c(O)cc1O ZINC001231637156 801700214 /nfs/dbraw/zinc/70/02/14/801700214.db2.gz GMNGAYQUHXWWFX-LBPRGKRZSA-N 1 0 311.353 2.199 20 10 DECDRO CC[NH+](CC)C1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231636339 801700784 /nfs/dbraw/zinc/70/07/84/801700784.db2.gz SREDXJMFHYYSJZ-UHFFFAOYSA-N 1 0 308.422 2.413 20 10 DECDRO COc1cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c(O)cc1O ZINC001231633601 801700832 /nfs/dbraw/zinc/70/08/32/801700832.db2.gz QEKVJEJIISRJOG-ZDUSSCGKSA-N 1 0 307.390 2.091 20 10 DECDRO Cc1cc(C)c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(O)c1 ZINC001231845957 801736026 /nfs/dbraw/zinc/73/60/26/801736026.db2.gz WOCNMHRIOCWKLV-CALCHBBNSA-N 1 0 316.445 2.304 20 10 DECDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001231858781 801738247 /nfs/dbraw/zinc/73/82/47/801738247.db2.gz ZHZPULBSIDIWAH-WMLDXEAASA-N 1 0 303.450 2.287 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCOC1 ZINC001232202983 801816203 /nfs/dbraw/zinc/81/62/03/801816203.db2.gz KTXNCSOXLCLJOZ-AWEZNQCLSA-N 1 0 310.825 2.397 20 10 DECDRO COc1cc(O)c(CN2CCN(C(C)=O)[C@@H](C)C2)cc1Cl ZINC001232267404 801833072 /nfs/dbraw/zinc/83/30/72/801833072.db2.gz BIXAFEOGHCZRCX-JTQLQIEISA-N 1 0 312.797 2.107 20 10 DECDRO COc1cc(O)c(CN2CC[C@](O)(CF)[C@@H](F)C2)cc1Cl ZINC001232266660 801834318 /nfs/dbraw/zinc/83/43/18/801834318.db2.gz QVEFXKJZNMBIGO-KBPBESRZSA-N 1 0 321.751 2.299 20 10 DECDRO COC(=O)c1c(C[N@@H+]2CCCC[C@@H](O)C2)c2ccccc2n1C ZINC001232402374 801871067 /nfs/dbraw/zinc/87/10/67/801871067.db2.gz MGULZYQKDAFNBU-CYBMUJFWSA-N 1 0 316.401 2.312 20 10 DECDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232841330 801970919 /nfs/dbraw/zinc/97/09/19/801970919.db2.gz CRHXWBLJPMZOQA-QGZVFWFLSA-N 1 0 321.465 2.001 20 10 DECDRO C[N@@H+]1CCN(Cc2cc(O)c(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001233010020 802001847 /nfs/dbraw/zinc/00/18/47/802001847.db2.gz HPTWNKVDCPVIFT-OAHLLOKOSA-N 1 0 314.385 2.292 20 10 DECDRO CCc1noc([C@@H]2CCCN(Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016794 802004592 /nfs/dbraw/zinc/00/45/92/802004592.db2.gz ONHOGAZZZXLKLE-LLVKDONJSA-N 1 0 319.361 2.128 20 10 DECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233418386 802111551 /nfs/dbraw/zinc/11/15/51/802111551.db2.gz FFGSTLFMFFCUDI-IAZYJMLFSA-N 1 0 315.291 2.262 20 10 DECDRO COC[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233455468 802121326 /nfs/dbraw/zinc/12/13/26/802121326.db2.gz LZMRGNQFYGDKRN-GFCCVEGCSA-N 1 0 305.296 2.258 20 10 DECDRO C[NH2+][C@H]1C[C@H](Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001217952390 802121938 /nfs/dbraw/zinc/12/19/38/802121938.db2.gz WUVMLODGAWVAQT-XYPYZODXSA-N 1 0 323.348 2.297 20 10 DECDRO C[C@@H](Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C1C[NH2+]C1 ZINC001218194181 802153913 /nfs/dbraw/zinc/15/39/13/802153913.db2.gz LEPDERGIWMWQFO-SNVBAGLBSA-N 1 0 323.348 2.154 20 10 DECDRO Cc1c(O)cc2c(c1O[C@@H]1C[NH2+][C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218394018 802178034 /nfs/dbraw/zinc/17/80/34/802178034.db2.gz WTKGEBZTGNCBBA-MEBBXXQBSA-N 1 0 323.348 2.215 20 10 DECDRO [NH3+][C@H](Cc1ccc2ccccc2n1)C(=O)NCc1ccccc1O ZINC001219923718 802390629 /nfs/dbraw/zinc/39/06/29/802390629.db2.gz YPBZSFFCVCFMPX-MRXNPFEDSA-N 1 0 321.380 2.127 20 10 DECDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000315683077 802479684 /nfs/dbraw/zinc/47/96/84/802479684.db2.gz MDRYRBQOWABNCS-MRXNPFEDSA-N 1 0 322.474 2.344 20 10 DECDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)c(O)c1 ZINC001220825992 802501834 /nfs/dbraw/zinc/50/18/34/802501834.db2.gz WVPUUZZJLLLBGN-HIFRSBDPSA-N 1 0 320.433 2.171 20 10 DECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1Cl ZINC001222686317 802728699 /nfs/dbraw/zinc/72/86/99/802728699.db2.gz ZIUAICVNKPZBOS-KRWDZBQOSA-N 1 0 323.868 2.272 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3nccs3)C1)[C@H](O)CO2 ZINC001331047562 1149368797 /nfs/dbraw/zinc/36/87/97/1149368797.db2.gz YBIJTSRUTQIBEM-IINYFYTJSA-N 1 0 318.398 2.264 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1O ZINC001331579010 1149541578 /nfs/dbraw/zinc/54/15/78/1149541578.db2.gz FXLATGXYMYSKSD-CYBMUJFWSA-N 1 0 324.808 2.155 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001346207592 1150951372 /nfs/dbraw/zinc/95/13/72/1150951372.db2.gz LCJVIMSEBKBZAB-STQMWFEESA-N 1 0 316.405 2.064 20 10 DECDRO CCOc1ccc(N2CC[NH+](C[C@@H]3COC(C)(C)O3)CC2)cc1 ZINC001350364130 1151347831 /nfs/dbraw/zinc/34/78/31/1151347831.db2.gz JROMFDZBJJRXMS-QGZVFWFLSA-N 1 0 320.433 2.359 20 10 DECDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575108627 1069367921 /nfs/dbraw/zinc/36/79/21/1069367921.db2.gz PUXSPPLYAJPTNA-ZDUSSCGKSA-N 1 0 308.403 2.416 20 10 DECDRO COc1ccc(N2CCC(NC(=O)C[NH2+]CC(C)C)CC2)cc1 ZINC001328606124 1148815526 /nfs/dbraw/zinc/81/55/26/1148815526.db2.gz FBLNTVIRRWYSIW-UHFFFAOYSA-N 1 0 319.449 2.026 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCCC23OCCO3)c1O ZINC001462662819 1058877705 /nfs/dbraw/zinc/87/77/05/1058877705.db2.gz KABJWBVGUMTYFW-OAHLLOKOSA-N 1 0 307.390 2.485 20 10 DECDRO CCOC(OCC)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001462688213 1058885724 /nfs/dbraw/zinc/88/57/24/1058885724.db2.gz NLTPLWPTRWIDDF-LLVKDONJSA-N 1 0 313.394 2.287 20 10 DECDRO CCC[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CC(=O)N(C)C1=O ZINC001474470188 1060876005 /nfs/dbraw/zinc/87/60/05/1060876005.db2.gz BHOQTFLUDBTMLL-LBPRGKRZSA-N 1 0 310.781 2.015 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H](C)OC)C2)cc1C ZINC001480106658 1062336681 /nfs/dbraw/zinc/33/66/81/1062336681.db2.gz BMHQTVKRBUOPES-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO CC[C@@H](F)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809497 1063970692 /nfs/dbraw/zinc/97/06/92/1063970692.db2.gz IZDSMGXVTQGMDZ-GFCCVEGCSA-N 1 0 323.372 2.259 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001621306699 1078172161 /nfs/dbraw/zinc/17/21/61/1078172161.db2.gz SMOPDGMURCCECW-CXAGYDPISA-N 1 0 307.390 2.089 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CCOC2)cc1C ZINC001568985088 1065227680 /nfs/dbraw/zinc/22/76/80/1065227680.db2.gz KZLBYQDVYYUSJR-GDBMZVCRSA-N 1 0 320.433 2.025 20 10 DECDRO CC[C@H](OC)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001496019082 1065232408 /nfs/dbraw/zinc/23/24/08/1065232408.db2.gz XTRKZSQWKFNYFK-ZBFHGGJFSA-N 1 0 322.449 2.365 20 10 DECDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001628981511 1078307668 /nfs/dbraw/zinc/30/76/68/1078307668.db2.gz FEXPGKYZVIUOOZ-KBPBESRZSA-N 1 0 317.393 2.452 20 10 DECDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001632748254 1078390493 /nfs/dbraw/zinc/39/04/93/1078390493.db2.gz IEXFSPJQZSUUOB-NSHDSACASA-N 1 0 305.382 2.309 20 10 DECDRO CC[C@@]1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC[NH2+]C1 ZINC001577195984 1066784750 /nfs/dbraw/zinc/78/47/50/1066784750.db2.gz OUNGQVPQDWJAAS-DNVCBOLYSA-N 1 0 317.477 2.498 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001633955132 1078416977 /nfs/dbraw/zinc/41/69/77/1078416977.db2.gz UDOYTOVPLFASFK-OAHLLOKOSA-N 1 0 318.417 2.117 20 10 DECDRO COC1CCN(c2ccc(CN3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC001578941073 1067206772 /nfs/dbraw/zinc/20/67/72/1067206772.db2.gz OCVOIMWWAHTDPU-HNNXBMFYSA-N 1 0 303.450 2.096 20 10 DECDRO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001579375293 1067318628 /nfs/dbraw/zinc/31/86/28/1067318628.db2.gz MEJBEFNFKWGNKZ-MRXNPFEDSA-N 1 0 321.490 2.326 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[NH2+]CC(C)C ZINC001579616867 1067385088 /nfs/dbraw/zinc/38/50/88/1067385088.db2.gz HCXAIFNMKFPQPY-OAHLLOKOSA-N 1 0 305.466 2.354 20 10 DECDRO O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1Cc2cccc(O)c2C1 ZINC001641810195 1078728985 /nfs/dbraw/zinc/72/89/85/1078728985.db2.gz JZWWVVAPHKUCCG-CQSZACIVSA-N 1 0 309.369 2.156 20 10 DECDRO Nc1ccc(CNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC001515333010 1068863575 /nfs/dbraw/zinc/86/35/75/1068863575.db2.gz LXIQFCPCTXPDQO-INIZCTEOSA-N 1 0 301.434 2.445 20 10 DECDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH+]1CCCC1 ZINC001542121967 1072451963 /nfs/dbraw/zinc/45/19/63/1072451963.db2.gz JRJRZKGZBSWTJC-GFCCVEGCSA-N 1 0 317.393 2.311 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001544952526 1072555165 /nfs/dbraw/zinc/55/51/65/1072555165.db2.gz BZPZMVLDMSXMOK-NSHDSACASA-N 1 0 315.377 2.063 20 10 DECDRO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1ccccc1O ZINC001272618363 1079015041 /nfs/dbraw/zinc/01/50/41/1079015041.db2.gz GNCSKUAXYJVYCT-INIZCTEOSA-N 1 0 310.344 2.224 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c1O ZINC001272625962 1079019619 /nfs/dbraw/zinc/01/96/19/1079019619.db2.gz QSAKRECYBBNZDU-SFHVURJKSA-N 1 0 318.417 2.235 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+]CCOC[C@H]1CCOC1 ZINC001560312506 1075137083 /nfs/dbraw/zinc/13/70/83/1075137083.db2.gz KCVVDQUSNIRRBN-KRWDZBQOSA-N 1 0 304.434 2.430 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccoc2)cc1C ZINC001567011817 1075415768 /nfs/dbraw/zinc/41/57/68/1075415768.db2.gz MIENXYGJIXRCPM-AWEZNQCLSA-N 1 0 316.401 2.434 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)NCC[NH2+]C1CCCCCC1 ZINC001580570131 1075952922 /nfs/dbraw/zinc/95/29/22/1075952922.db2.gz NIWJJLHPRCZTNG-UHFFFAOYSA-N 1 0 306.406 2.069 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001580886132 1076014502 /nfs/dbraw/zinc/01/45/02/1076014502.db2.gz ZXDHCLMBYJBEPJ-ZDUSSCGKSA-N 1 0 310.825 2.294 20 10 DECDRO CC[C@@H](CNC(=O)[C@H](O)C(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267803277 1079506253 /nfs/dbraw/zinc/50/62/53/1079506253.db2.gz ORHAAZDQAYTSCQ-DOTOQJQBSA-N 1 0 322.449 2.005 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)C(F)F)CCC2)cc1C ZINC001484620913 1079690950 /nfs/dbraw/zinc/69/09/50/1079690950.db2.gz CFMWUXDWHTXWKE-UHFFFAOYSA-N 1 0 312.360 2.397 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nn(C)cc3C)C2)cc1 ZINC001651310941 1079802740 /nfs/dbraw/zinc/80/27/40/1079802740.db2.gz SYLRYRAOIREHRI-CQSZACIVSA-N 1 0 300.406 2.106 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2COCCC2(OC)OC)cc1 ZINC001651496419 1079815402 /nfs/dbraw/zinc/81/54/02/1079815402.db2.gz AUUIOOWHBSNVRT-KRWDZBQOSA-N 1 0 322.449 2.400 20 10 DECDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001655597115 1080007970 /nfs/dbraw/zinc/00/79/70/1080007970.db2.gz KNHJHYQYLBJUHD-RDTXWAMCSA-N 1 0 323.456 2.074 20 10 DECDRO C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1O ZINC001659815226 1080252697 /nfs/dbraw/zinc/25/26/97/1080252697.db2.gz CGYDXUSYFFCAER-CYBMUJFWSA-N 1 0 309.369 2.453 20 10 DECDRO COCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001662739377 1080644255 /nfs/dbraw/zinc/64/42/55/1080644255.db2.gz NMKSAYSQFQAISO-CVEARBPZSA-N 1 0 320.433 2.167 20 10 DECDRO CC[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC001668785131 1081396332 /nfs/dbraw/zinc/39/63/32/1081396332.db2.gz WXQGTSRRVHFMAF-OAHLLOKOSA-N 1 0 318.465 2.297 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnco2)cc1C ZINC001674707434 1081909278 /nfs/dbraw/zinc/90/92/78/1081909278.db2.gz CXMQPQSQXDAJOP-CHWSQXEVSA-N 1 0 317.389 2.288 20 10 DECDRO CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266926858 1082457360 /nfs/dbraw/zinc/45/73/60/1082457360.db2.gz RFFAGDQTTSGQFN-UONOGXRCSA-N 1 0 308.422 2.023 20 10 DECDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001276805008 1083622070 /nfs/dbraw/zinc/62/20/70/1083622070.db2.gz PIRGVVOTPKZYHW-PHIMTYICSA-N 1 0 317.216 2.214 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)cc1 ZINC001276958002 1083700802 /nfs/dbraw/zinc/70/08/02/1083700802.db2.gz BMDCDHQTJCUPGR-WMZOPIPTSA-N 1 0 301.434 2.230 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC(C)(C)C)c1O ZINC001277451515 1083977549 /nfs/dbraw/zinc/97/75/49/1083977549.db2.gz DWHGIBZIEGRAJZ-SCLBCKFNSA-N 1 0 318.417 2.280 20 10 DECDRO CCN(C(=O)[C@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2)C(C)C ZINC001277660119 1084080249 /nfs/dbraw/zinc/08/02/49/1084080249.db2.gz PLFRGLRBZMUAFC-OAHLLOKOSA-N 1 0 318.417 2.177 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)OC)cc1C ZINC001277770703 1084141390 /nfs/dbraw/zinc/14/13/90/1084141390.db2.gz HMOSSKZVQJEEGO-GJZGRUSLSA-N 1 0 322.449 2.365 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@H](C)CC(=O)OC)cc2)CC1 ZINC001234658214 1084190443 /nfs/dbraw/zinc/19/04/43/1084190443.db2.gz XQNBGMRWRLQTGJ-CQSZACIVSA-N 1 0 306.406 2.159 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@@H]3C=C(C)OC(=O)C3)cc2)CC1 ZINC001234658266 1084190762 /nfs/dbraw/zinc/19/07/62/1084190762.db2.gz YWOZEGYWGQFYIG-QGZVFWFLSA-N 1 0 316.401 2.427 20 10 DECDRO Cc1cc(Br)cc(CN2CCCC23C[NH2+]C3)c1O ZINC001235090537 1084308521 /nfs/dbraw/zinc/30/85/21/1084308521.db2.gz SEIAVPOFDMBKNQ-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO CC1(C)CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[NH2+]1 ZINC001235833966 1084542592 /nfs/dbraw/zinc/54/25/92/1084542592.db2.gz XIQLVDIVOUHDFO-UHFFFAOYSA-N 1 0 315.461 2.275 20 10 DECDRO COc1ccc(O)c(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c1 ZINC001235847342 1084547430 /nfs/dbraw/zinc/54/74/30/1084547430.db2.gz GNEOOFJVIHDVQM-QGZVFWFLSA-N 1 0 312.413 2.417 20 10 DECDRO CN(Cc1cccc(OC(F)(F)F)c1O)C[C@@H]1CCC[NH2+]1 ZINC001236122253 1084617140 /nfs/dbraw/zinc/61/71/40/1084617140.db2.gz PURQHXSNHWVGSD-NSHDSACASA-N 1 0 304.312 2.475 20 10 DECDRO Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276364855 1085504103 /nfs/dbraw/zinc/50/41/03/1085504103.db2.gz GPTZAPWVAVZHEO-GOSISDBHSA-N 1 0 304.434 2.306 20 10 DECDRO Oc1cccc(Br)c1C[NH2+]C[C@]1(O)CCSC1 ZINC000706807297 1086651141 /nfs/dbraw/zinc/65/11/41/1086651141.db2.gz IJCIEUBXJOIKIL-GFCCVEGCSA-N 1 0 318.236 2.112 20 10 DECDRO COCC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706834331 1086652470 /nfs/dbraw/zinc/65/24/70/1086652470.db2.gz WPEPALBLUXRBRK-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001274528415 1091286516 /nfs/dbraw/zinc/28/65/16/1091286516.db2.gz JESYNHZNXDDVRW-NSHDSACASA-N 1 0 324.808 2.099 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)SC)cc1C ZINC001274685863 1091369166 /nfs/dbraw/zinc/36/91/66/1091369166.db2.gz GOADYWYQSSIXSJ-OLZOCXBDSA-N 1 0 310.463 2.349 20 10 DECDRO COc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091687 1091538525 /nfs/dbraw/zinc/53/85/25/1091538525.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 1 0 306.406 2.024 20 10 DECDRO C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275468205 1091773569 /nfs/dbraw/zinc/77/35/69/1091773569.db2.gz UZWZJXBPENAFQU-MNOVXSKESA-N 1 0 323.372 2.305 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH+](C)C)CCCC2)c1 ZINC001545684136 1093007569 /nfs/dbraw/zinc/00/75/69/1093007569.db2.gz LKPHMIMOZKCQAE-LBPRGKRZSA-N 1 0 306.406 2.452 20 10 DECDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001276830431 1138329247 /nfs/dbraw/zinc/32/92/47/1138329247.db2.gz NEHWLEGHJJIHMP-MNOVXSKESA-N 1 0 316.323 2.427 20 10 DECDRO C[NH+](C)CCCn1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001236156800 1138334859 /nfs/dbraw/zinc/33/48/59/1138334859.db2.gz JMOPINWYVAWTEF-UHFFFAOYSA-N 1 0 300.406 2.074 20 10 DECDRO CCOC(=O)CN(CCC[NH3+])Cc1ccc(C(C)(C)C)cc1O ZINC001236303838 1138348949 /nfs/dbraw/zinc/34/89/49/1138348949.db2.gz QXPLNNIOZOZOED-UHFFFAOYSA-N 1 0 322.449 2.404 20 10 DECDRO COCCN(Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]C1 ZINC001236326558 1138352754 /nfs/dbraw/zinc/35/27/54/1138352754.db2.gz BNRJMYALYXUWOK-SFHVURJKSA-N 1 0 317.477 2.269 20 10 DECDRO CO[C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236768566 1138420492 /nfs/dbraw/zinc/42/04/92/1138420492.db2.gz QQNZDSYXLAEYSU-SECBINFHSA-N 1 0 302.168 2.081 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001236752853 1138410215 /nfs/dbraw/zinc/41/02/15/1138410215.db2.gz WQYZXIYKMCTPPE-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(O)c1 ZINC001236786617 1138427056 /nfs/dbraw/zinc/42/70/56/1138427056.db2.gz FPJUCBJYKUMZFL-QLPKVWCKSA-N 1 0 302.418 2.157 20 10 DECDRO CCNC(=O)COC1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236789254 1138428872 /nfs/dbraw/zinc/42/88/72/1138428872.db2.gz UKSTZOHQUHCYEX-UHFFFAOYSA-N 1 0 320.433 2.072 20 10 DECDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794328 1138429192 /nfs/dbraw/zinc/42/91/92/1138429192.db2.gz RLLILRZOQBJREE-QMMMGPOBSA-N 1 0 303.189 2.396 20 10 DECDRO CC[N@H+](CCC(=O)OC)Cc1c(O)cc(OC)cc1Cl ZINC001236809731 1138434614 /nfs/dbraw/zinc/43/46/14/1138434614.db2.gz XYTANTXANJALLN-UHFFFAOYSA-N 1 0 301.770 2.439 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC3(CCCNC3=O)CC2)c(O)c1 ZINC001236811315 1138436654 /nfs/dbraw/zinc/43/66/54/1138436654.db2.gz OMICDALRPCVNGD-UHFFFAOYSA-N 1 0 318.417 2.201 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC001236927722 1138458904 /nfs/dbraw/zinc/45/89/04/1138458904.db2.gz SXNAWNUMVIBMNO-INIZCTEOSA-N 1 0 323.868 2.313 20 10 DECDRO CN1CCOc2cc(CN3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237401486 1138610541 /nfs/dbraw/zinc/61/05/41/1138610541.db2.gz DBKPOESHBFZODI-HOTGVXAUSA-N 1 0 301.434 2.089 20 10 DECDRO Cc1cc(F)cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC001238060531 1138819276 /nfs/dbraw/zinc/81/92/76/1138819276.db2.gz BVSJTSSSYGQVBJ-MRXNPFEDSA-N 1 0 308.397 2.136 20 10 DECDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC001278255720 1138861155 /nfs/dbraw/zinc/86/11/55/1138861155.db2.gz XCFVLIQAQCJXKL-LZJQFABFSA-N 1 0 306.381 2.124 20 10 DECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NCC(F)F)c1O ZINC001278354056 1140042995 /nfs/dbraw/zinc/04/29/95/1140042995.db2.gz CXSRUXPJXUGYSO-YVEFUNNKSA-N 1 0 324.371 2.355 20 10 DECDRO Cc1ccc(NC[C@@]2(O)CC[NH2+]C2)c(C(=O)c2ccccc2)c1 ZINC001245977840 1140840550 /nfs/dbraw/zinc/84/05/50/1140840550.db2.gz KEZZNAXVEIFLJU-LJQANCHMSA-N 1 0 310.397 2.362 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC1CS(=O)(=O)C1 ZINC001320750277 1140908055 /nfs/dbraw/zinc/90/80/55/1140908055.db2.gz IWIVITORSLURQA-WCQYABFASA-N 1 0 309.431 2.273 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnc2n1CCOC2 ZINC001320816872 1140938858 /nfs/dbraw/zinc/93/88/58/1140938858.db2.gz NSYZBFGNRJJSKO-NWDGAFQWSA-N 1 0 314.389 2.160 20 10 DECDRO CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C[NH+]1CCCC1 ZINC001321049174 1141040302 /nfs/dbraw/zinc/04/03/02/1141040302.db2.gz MQCVFISKKMTZSD-VURMDHGXSA-N 1 0 318.417 2.349 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CC[C@H](C)[NH2+]C3)CC2)c(C)c1 ZINC001246936642 1141149975 /nfs/dbraw/zinc/14/99/75/1141149975.db2.gz WYJGKNRVTJHMIP-JKSUJKDBSA-N 1 0 303.450 2.266 20 10 DECDRO c1cc(N2CC[NH2+]CC2)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC001247010635 1141241382 /nfs/dbraw/zinc/24/13/82/1141241382.db2.gz MIXUPZHOQGUKOF-UHFFFAOYSA-N 1 0 322.368 2.368 20 10 DECDRO C[C@@H](C[NH2+]CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322094382 1141392211 /nfs/dbraw/zinc/39/22/11/1141392211.db2.gz YIFXKAZNJMVCOC-NSHDSACASA-N 1 0 317.393 2.357 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(O)c2)c(O)c1 ZINC001249173040 1141856493 /nfs/dbraw/zinc/85/64/93/1141856493.db2.gz QDBYREHJQVOXES-UHFFFAOYSA-N 1 0 315.369 2.445 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001249174189 1141856717 /nfs/dbraw/zinc/85/67/17/1141856717.db2.gz ZYROVZDMXOLLHT-UHFFFAOYSA-N 1 0 311.328 2.339 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001249177901 1141857194 /nfs/dbraw/zinc/85/71/94/1141857194.db2.gz LFVYBRPPHHRULB-FZKQIMNGSA-N 1 0 321.417 2.091 20 10 DECDRO C[NH+](C)CCNC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001249845173 1142042751 /nfs/dbraw/zinc/04/27/51/1142042751.db2.gz XAWLVTPAUBQEOY-UHFFFAOYSA-N 1 0 320.506 2.203 20 10 DECDRO Cc1cccc(C[NH2+]C[C@H](O)COc2cccc(F)c2)c1O ZINC001250829850 1142329372 /nfs/dbraw/zinc/32/93/72/1142329372.db2.gz SQGMVRGQKKLICG-HNNXBMFYSA-N 1 0 305.349 2.369 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](O)C(F)(F)F ZINC001336751683 1142559531 /nfs/dbraw/zinc/55/95/31/1142559531.db2.gz UQNRWXLOJULBMF-TVQRCGJNSA-N 1 0 323.311 2.201 20 10 DECDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001337042079 1142667359 /nfs/dbraw/zinc/66/73/59/1142667359.db2.gz GSNGJADWNSSMDP-MRXNPFEDSA-N 1 0 301.434 2.374 20 10 DECDRO CC[NH+](CC)C[C@@H](O)CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001253189852 1142851688 /nfs/dbraw/zinc/85/16/88/1142851688.db2.gz LPMMROSFTYTALU-IBGZPJMESA-N 1 0 319.493 2.421 20 10 DECDRO Oc1ccc(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1O ZINC001253373492 1142866367 /nfs/dbraw/zinc/86/63/67/1142866367.db2.gz YEJORNSNIAWYLF-MRXNPFEDSA-N 1 0 309.312 2.242 20 10 DECDRO COc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC001253979385 1143017355 /nfs/dbraw/zinc/01/73/55/1143017355.db2.gz KZQYBJBHXAVQDW-UONOGXRCSA-N 1 0 317.385 2.491 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1O ZINC001254004501 1143023440 /nfs/dbraw/zinc/02/34/40/1143023440.db2.gz KYNSJHRRZOGBFT-CQSZACIVSA-N 1 0 318.417 2.282 20 10 DECDRO C[C@H]([NH2+]CCOCCCO)c1ccc(Br)cc1O ZINC001340989126 1143516845 /nfs/dbraw/zinc/51/68/45/1143516845.db2.gz BEIUSRKCHGBITG-JTQLQIEISA-N 1 0 318.211 2.204 20 10 DECDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(O)cc1O ZINC001255802671 1143807199 /nfs/dbraw/zinc/80/71/99/1143807199.db2.gz LHZTXNNUNVFQOA-GFCCVEGCSA-N 1 0 321.398 2.050 20 10 DECDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001255829063 1143809223 /nfs/dbraw/zinc/80/92/23/1143809223.db2.gz DXLXHMRDXVQSFH-PIGZYNQJSA-N 1 0 305.349 2.491 20 10 DECDRO Oc1cccc2c1C[N@@H+](C1CCN(c3ncccn3)CC1)CC2 ZINC001256064182 1143826478 /nfs/dbraw/zinc/82/64/78/1143826478.db2.gz HMPWHYWSCPPSNC-UHFFFAOYSA-N 1 0 310.401 2.209 20 10 DECDRO COC(=O)CC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001258359649 1143995472 /nfs/dbraw/zinc/99/54/72/1143995472.db2.gz VJXYJBOTBHOMPJ-CQSZACIVSA-N 1 0 320.433 2.288 20 10 DECDRO COC(=O)CC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001258363018 1143997235 /nfs/dbraw/zinc/99/72/35/1143997235.db2.gz CMOJZVAMVKKFNT-CQSZACIVSA-N 1 0 306.406 2.159 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC001261763698 1144275366 /nfs/dbraw/zinc/27/53/66/1144275366.db2.gz KQIYTXRUKQJKJD-STQMWFEESA-N 1 0 306.406 2.358 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001263074907 1144353987 /nfs/dbraw/zinc/35/39/87/1144353987.db2.gz YRAZDWLIZNSOJX-UHFFFAOYSA-N 1 0 302.399 2.372 20 10 DECDRO Nc1ccc(CC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC001263239965 1144362779 /nfs/dbraw/zinc/36/27/79/1144362779.db2.gz ZRKAELVMAMBPPU-INIZCTEOSA-N 1 0 301.434 2.321 20 10 DECDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC001263239966 1144362879 /nfs/dbraw/zinc/36/28/79/1144362879.db2.gz ZRKAELVMAMBPPU-MRXNPFEDSA-N 1 0 301.434 2.321 20 10 DECDRO CN(C)c1ccc(C[N@H+](CCNC(=O)C2CC2)C2CC2)cc1 ZINC001307424129 1147426437 /nfs/dbraw/zinc/42/64/37/1147426437.db2.gz NLIFHGKXZLCJQL-UHFFFAOYSA-N 1 0 301.434 2.243 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001317238430 1147681082 /nfs/dbraw/zinc/68/10/82/1147681082.db2.gz ITNIJFUNSMBIQT-AAEUAGOBSA-N 1 0 312.360 2.253 20 10 DECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325929194 1148020634 /nfs/dbraw/zinc/02/06/34/1148020634.db2.gz YFQMMPQJJFSONJ-KGLIPLIRSA-N 1 0 309.429 2.091 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000418103529 530043796 /nfs/dbraw/zinc/04/37/96/530043796.db2.gz WNAYZTGUXHJCDZ-CQSZACIVSA-N 1 0 314.433 2.380 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280858236 539815367 /nfs/dbraw/zinc/81/53/67/539815367.db2.gz LVTUYLJMBMRQAS-LLVKDONJSA-N 1 0 315.339 2.092 20 10 DECDRO CCOc1cccc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000093085952 355667484 /nfs/dbraw/zinc/66/74/84/355667484.db2.gz PTKDKMWOSNPHCG-UHFFFAOYSA-N 1 0 302.374 2.180 20 10 DECDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1O ZINC000285718549 299314064 /nfs/dbraw/zinc/31/40/64/299314064.db2.gz QAKIEZGDCDRDDV-FZMZJTMJSA-N 1 0 318.339 2.306 20 10 DECDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc2ccccc2c1O ZINC000290075972 296126306 /nfs/dbraw/zinc/12/63/06/296126306.db2.gz GJPBNDFWLGDBQU-GFCCVEGCSA-N 1 0 322.430 2.087 20 10 DECDRO CC[C@H]([NH2+]CCOCCO)c1cc(Br)ccc1O ZINC000020198835 182196427 /nfs/dbraw/zinc/19/64/27/182196427.db2.gz YOTGCDALZLEUBM-LBPRGKRZSA-N 1 0 318.211 2.204 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000105492929 194106467 /nfs/dbraw/zinc/10/64/67/194106467.db2.gz AQUWACBJYNYVSC-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO COCC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281197341 285166754 /nfs/dbraw/zinc/16/67/54/285166754.db2.gz IVDZKEDODIOLFL-GFCCVEGCSA-N 1 0 320.355 2.258 20 10 DECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000274499648 130240544 /nfs/dbraw/zinc/24/05/44/130240544.db2.gz HVIVNUINJXHNOD-VHSXEESVSA-N 1 0 311.353 2.411 20 10 DECDRO OCC1CCN(c2ccc(C[NH2+]C3CCC(O)CC3)cc2)CC1 ZINC000286318994 131230793 /nfs/dbraw/zinc/23/07/93/131230793.db2.gz XMFFPNDYUWYMHD-UHFFFAOYSA-N 1 0 318.461 2.288 20 10 DECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290055035 131449646 /nfs/dbraw/zinc/44/96/46/131449646.db2.gz UIJUGIKPQIRGNR-IRXDYDNUSA-N 1 0 301.434 2.291 20 10 DECDRO CCC[N@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccccc1O ZINC000114717515 401807527 /nfs/dbraw/zinc/80/75/27/401807527.db2.gz MCVSSIUJHXGYKW-UHFFFAOYSA-N 1 0 316.405 2.285 20 10 DECDRO O=C1NCCCN1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131106601 401844110 /nfs/dbraw/zinc/84/41/10/401844110.db2.gz AJQGTXPAMDJINH-UHFFFAOYSA-N 1 0 323.824 2.425 20 10 DECDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000085354919 401914602 /nfs/dbraw/zinc/91/46/02/401914602.db2.gz BCPSZTRGVVEBDH-PBHICJAKSA-N 1 0 318.465 2.234 20 10 DECDRO CN(C)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000119738496 401964768 /nfs/dbraw/zinc/96/47/68/401964768.db2.gz BMIVXWTZUKQPMB-SFHVURJKSA-N 1 0 309.413 2.165 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCSCCCO)CC2)cc1 ZINC000151209524 402023275 /nfs/dbraw/zinc/02/32/75/402023275.db2.gz VHNZRRNTMGGIAQ-UHFFFAOYSA-N 1 0 324.490 2.369 20 10 DECDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000052041726 402039137 /nfs/dbraw/zinc/03/91/37/402039137.db2.gz QHDWPUFTPPXBEP-UHFFFAOYSA-N 1 0 310.397 2.450 20 10 DECDRO COCCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123006162 402105477 /nfs/dbraw/zinc/10/54/77/402105477.db2.gz HADYHAJQOAOBHW-UHFFFAOYSA-N 1 0 319.232 2.463 20 10 DECDRO CN(C)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000063255929 402112209 /nfs/dbraw/zinc/11/22/09/402112209.db2.gz ZAFFIQDDLGRLTA-UHFFFAOYSA-N 1 0 300.358 2.477 20 10 DECDRO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000070013106 402254693 /nfs/dbraw/zinc/25/46/93/402254693.db2.gz PVSNINCCKBEIKO-UHFFFAOYSA-N 1 0 303.450 2.443 20 10 DECDRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185345099 402345765 /nfs/dbraw/zinc/34/57/65/402345765.db2.gz BWASJZQMCQFWHE-CABCVRRESA-N 1 0 323.456 2.456 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375898 402348429 /nfs/dbraw/zinc/34/84/29/402348429.db2.gz WZSJOYQJPVCBEL-MELADBBJSA-N 1 0 308.422 2.161 20 10 DECDRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000185647829 402366960 /nfs/dbraw/zinc/36/69/60/402366960.db2.gz HFGXOODCOAGMON-CYBMUJFWSA-N 1 0 309.429 2.208 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000159779745 402330768 /nfs/dbraw/zinc/33/07/68/402330768.db2.gz TVORNSSVXGZOLE-UHFFFAOYSA-N 1 0 322.428 2.129 20 10 DECDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000186090269 402400269 /nfs/dbraw/zinc/40/02/69/402400269.db2.gz QWUPNGHJKGIOLD-JTQLQIEISA-N 1 0 301.383 2.007 20 10 DECDRO COC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(C)o1 ZINC000177567079 402416445 /nfs/dbraw/zinc/41/64/45/402416445.db2.gz LLJFBLPBXBFNCU-LBPRGKRZSA-N 1 0 305.330 2.500 20 10 DECDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000165749648 402478223 /nfs/dbraw/zinc/47/82/23/402478223.db2.gz QCSLHFQYVJXNNT-KRWDZBQOSA-N 1 0 319.449 2.107 20 10 DECDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CC(C)C)cc2=O ZINC000172171221 402644062 /nfs/dbraw/zinc/64/40/62/402644062.db2.gz ZKWIHQYMHOATGN-UHFFFAOYSA-N 1 0 320.393 2.090 20 10 DECDRO Oc1cc2c(cc1CN1CC[C@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000172957594 402680639 /nfs/dbraw/zinc/68/06/39/402680639.db2.gz ZMOBPJKSWVGDQE-CQSZACIVSA-N 1 0 318.417 2.429 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)n1-c1ccccn1 ZINC000262863572 402735493 /nfs/dbraw/zinc/73/54/93/402735493.db2.gz UKVSYULGDIPWCZ-MLGOLLRUSA-N 1 0 312.417 2.217 20 10 DECDRO O=C(c1cccc(O)c1O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000193082242 402764089 /nfs/dbraw/zinc/76/40/89/402764089.db2.gz CIPUETIRMIYWGN-UHFFFAOYSA-N 1 0 304.390 2.188 20 10 DECDRO CN(C)c1ccc(CN(CCCS(C)(=O)=O)C2CC2)cc1 ZINC000264003878 402829106 /nfs/dbraw/zinc/82/91/06/402829106.db2.gz BRJOTQSVEVECTC-UHFFFAOYSA-N 1 0 310.463 2.152 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278183057 402861998 /nfs/dbraw/zinc/86/19/98/402861998.db2.gz BPFBOIPOEQPBFY-UONOGXRCSA-N 1 0 300.406 2.445 20 10 DECDRO CC[NH+](CC)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278478713 402867160 /nfs/dbraw/zinc/86/71/60/402867160.db2.gz IZLAJFIOJPVEIP-UHFFFAOYSA-N 1 0 311.382 2.131 20 10 DECDRO Cc1cc(Br)cc(C[NH+]2CCC(O)CC2)c1O ZINC000271804992 402884548 /nfs/dbraw/zinc/88/45/48/402884548.db2.gz MAOICBRCUZHNCY-UHFFFAOYSA-N 1 0 300.196 2.420 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280201135 402974819 /nfs/dbraw/zinc/97/48/19/402974819.db2.gz IAELINYYPBBJDR-DYVFJYSZSA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000275523548 403103003 /nfs/dbraw/zinc/10/30/03/403103003.db2.gz VSJOLMJFQGLYPX-UHFFFAOYSA-N 1 0 304.438 2.036 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000276494589 403180950 /nfs/dbraw/zinc/18/09/50/403180950.db2.gz BGAMBHGAWWKIMM-GHMZBOCLSA-N 1 0 310.369 2.087 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278039801 403281712 /nfs/dbraw/zinc/28/17/12/403281712.db2.gz XLNPQTRXQNGMEO-OAHLLOKOSA-N 1 0 322.449 2.381 20 10 DECDRO CSCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298414824 403377541 /nfs/dbraw/zinc/37/75/41/403377541.db2.gz IAQPLBAVZSAHQS-AWEZNQCLSA-N 1 0 323.506 2.442 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc1N(C)C ZINC000292890432 403380917 /nfs/dbraw/zinc/38/09/17/403380917.db2.gz VBTBVDYBBBPXCL-GOSISDBHSA-N 1 0 317.477 2.215 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1N(C)C ZINC000295310042 403847455 /nfs/dbraw/zinc/84/74/55/403847455.db2.gz KTTNBWJYLKDNJO-CQSZACIVSA-N 1 0 316.405 2.117 20 10 DECDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000289717082 403995289 /nfs/dbraw/zinc/99/52/89/403995289.db2.gz JKYICHMCRHSBLB-AWEZNQCLSA-N 1 0 300.406 2.140 20 10 DECDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000296147092 404114403 /nfs/dbraw/zinc/11/44/03/404114403.db2.gz WNOZRADLAYGWAJ-OAHLLOKOSA-N 1 0 317.410 2.443 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870436 404232031 /nfs/dbraw/zinc/23/20/31/404232031.db2.gz VKXAVYVRBSWONX-QWHCGFSZSA-N 1 0 316.405 2.064 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000363916247 404251616 /nfs/dbraw/zinc/25/16/16/404251616.db2.gz DTYLAAHYPYNFRB-GFCCVEGCSA-N 1 0 312.797 2.155 20 10 DECDRO CS[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000296467445 404262652 /nfs/dbraw/zinc/26/26/52/404262652.db2.gz XRADXOUAPOHMNU-MRXNPFEDSA-N 1 0 321.490 2.148 20 10 DECDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000367472928 405061077 /nfs/dbraw/zinc/06/10/77/405061077.db2.gz YYYIBIMDOOFSFX-GFCCVEGCSA-N 1 0 315.373 2.234 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1CC[NH2+]CC1 ZINC000573820591 406777790 /nfs/dbraw/zinc/77/77/90/406777790.db2.gz DJBVVVZAXCJQBD-UHFFFAOYSA-N 1 0 314.433 2.286 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000192989281 225148656 /nfs/dbraw/zinc/14/86/56/225148656.db2.gz MPICHUDUZRQVRM-UHFFFAOYSA-N 1 0 318.417 2.436 20 10 DECDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(F)ccc1O ZINC000371917460 227080773 /nfs/dbraw/zinc/08/07/73/227080773.db2.gz GBXJNBZTFDMCDJ-ABAIWWIYSA-N 1 0 319.380 2.448 20 10 DECDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)C1CCC1 ZINC000378492355 227217732 /nfs/dbraw/zinc/21/77/32/227217732.db2.gz GXBVDNNWOQBMDQ-UHFFFAOYSA-N 1 0 306.381 2.412 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000418100984 229219606 /nfs/dbraw/zinc/21/96/06/229219606.db2.gz QOZZQAUSGAJVGZ-UHFFFAOYSA-N 1 0 314.433 2.428 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295161652 273821596 /nfs/dbraw/zinc/82/15/96/273821596.db2.gz SGPRSVKGZZYNHQ-HIFRSBDPSA-N 1 0 317.433 2.386 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000378494994 275060978 /nfs/dbraw/zinc/06/09/78/275060978.db2.gz LZTRIVJFKKMDTB-UHFFFAOYSA-N 1 0 302.353 2.034 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449810 333208927 /nfs/dbraw/zinc/20/89/27/333208927.db2.gz RGALLLJJNNDLHB-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418103939 533971652 /nfs/dbraw/zinc/97/16/52/533971652.db2.gz XAXUVXFXVCZNBF-WFASDCNBSA-N 1 0 314.433 2.284 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(OCCO)CC2)cc1 ZINC000835029827 649869152 /nfs/dbraw/zinc/86/91/52/649869152.db2.gz WZOFRLHWUOXTJJ-ARJAWSKDSA-N 1 0 304.434 2.239 20 10 DECDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](COC)C2)c(O)c1 ZINC000188367773 520352458 /nfs/dbraw/zinc/35/24/58/520352458.db2.gz WSBIXMXBRQOCAA-BBRMVZONSA-N 1 0 309.406 2.417 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1F ZINC000236913289 520903573 /nfs/dbraw/zinc/90/35/73/520903573.db2.gz WMZJZQSOBXPWNR-KBPBESRZSA-N 1 0 307.413 2.416 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)c1cccs1 ZINC000186766126 522082162 /nfs/dbraw/zinc/08/21/62/522082162.db2.gz ZRGRLLUAHILZPF-LLVKDONJSA-N 1 0 306.387 2.192 20 10 DECDRO COCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000188813533 524032610 /nfs/dbraw/zinc/03/26/10/524032610.db2.gz GGEYKQZVLRDQKG-CYBMUJFWSA-N 1 0 315.797 2.292 20 10 DECDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000368036244 526910087 /nfs/dbraw/zinc/91/00/87/526910087.db2.gz QYHIIZBUXRBWAF-CQSZACIVSA-N 1 0 314.389 2.453 20 10 DECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000188486489 527754388 /nfs/dbraw/zinc/75/43/88/527754388.db2.gz MIKAPQHQWGBIDU-SECBINFHSA-N 1 0 300.786 2.011 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@]12CCCO2 ZINC000273641396 535413687 /nfs/dbraw/zinc/41/36/87/535413687.db2.gz USTRMKBBZQYVQA-BFYDXBDKSA-N 1 0 307.390 2.217 20 10 DECDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000835042860 649870650 /nfs/dbraw/zinc/87/06/50/649870650.db2.gz LCADAYOUIPZSOF-HLJKATFASA-N 1 0 303.450 2.075 20 10 DECDRO CNC(=O)[C@H](CCSC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835056360 649872909 /nfs/dbraw/zinc/87/29/09/649872909.db2.gz UHDNAHRLIWBROP-JFDDCEBESA-N 1 0 321.490 2.223 20 10 DECDRO Cc1ccc(O)c(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000822259017 599459053 /nfs/dbraw/zinc/45/90/53/599459053.db2.gz JSFQTSZFFFAGFZ-UHFFFAOYSA-N 1 0 313.336 2.310 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311211904 625303357 /nfs/dbraw/zinc/30/33/57/625303357.db2.gz LMRJEHXCWSADQF-MFKMUULPSA-N 1 0 311.223 2.339 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1OC ZINC000893289895 625399558 /nfs/dbraw/zinc/39/95/58/625399558.db2.gz JUXLGSSURFQZNX-ZDUSSCGKSA-N 1 0 323.389 2.185 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000840892836 625543988 /nfs/dbraw/zinc/54/39/88/625543988.db2.gz DTCKWXMEHIRTDG-ZBFHGGJFSA-N 1 0 324.490 2.159 20 10 DECDRO CC(C)[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970830472 623731214 /nfs/dbraw/zinc/73/12/14/623731214.db2.gz IJUQZRXCRUZFPW-CYBMUJFWSA-N 1 0 303.366 2.062 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000891249910 623794397 /nfs/dbraw/zinc/79/43/97/623794397.db2.gz UHYSMOZCDBOLTM-ZIAGYGMSSA-N 1 0 311.376 2.127 20 10 DECDRO Cc1c[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251303 623797269 /nfs/dbraw/zinc/79/72/69/623797269.db2.gz BQQVTMJKRSIMPI-QGZVFWFLSA-N 1 0 314.433 2.422 20 10 DECDRO CC(C)[NH+]1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970955172 623832977 /nfs/dbraw/zinc/83/29/77/623832977.db2.gz TVTCPSIZWUUTEZ-LLVKDONJSA-N 1 0 317.393 2.308 20 10 DECDRO CCC1([NH3+])CCN(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000892923454 625717717 /nfs/dbraw/zinc/71/77/17/625717717.db2.gz QNOFYYOPIMZUTJ-LBPRGKRZSA-N 1 0 321.421 2.375 20 10 DECDRO COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c1OC ZINC000891841837 624625765 /nfs/dbraw/zinc/62/57/65/624625765.db2.gz HCQCVNLULBWSGF-UHFFFAOYSA-N 1 0 317.389 2.443 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891984020 624717763 /nfs/dbraw/zinc/71/77/63/624717763.db2.gz ODRIWLRVNMEFMA-LLVKDONJSA-N 1 0 323.824 2.329 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c(O)c1OC ZINC000893128905 625129790 /nfs/dbraw/zinc/12/97/90/625129790.db2.gz ZPADHBUXXXMIMO-YPMHNXCESA-N 1 0 306.406 2.124 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000317909828 625245860 /nfs/dbraw/zinc/24/58/60/625245860.db2.gz UICFGZCETLDRDR-YOEHRIQHSA-N 1 0 303.450 2.489 20 10 DECDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892668315 625255193 /nfs/dbraw/zinc/25/51/93/625255193.db2.gz KJVJVAXWAXYWLI-CYBMUJFWSA-N 1 0 308.422 2.231 20 10 DECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000892486126 625874892 /nfs/dbraw/zinc/87/48/92/625874892.db2.gz RROFNVRWHQVFNJ-CYBMUJFWSA-N 1 0 322.428 2.175 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000840933877 634776994 /nfs/dbraw/zinc/77/69/94/634776994.db2.gz KMSLRROXLGAKDW-OAHLLOKOSA-N 1 0 305.466 2.119 20 10 DECDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836855661 650137217 /nfs/dbraw/zinc/13/72/17/650137217.db2.gz SWSXYRVKXZKMPZ-VQHVLOKHSA-N 1 0 306.406 2.348 20 10 DECDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000836949468 650148035 /nfs/dbraw/zinc/14/80/35/650148035.db2.gz ZEBNWMHRPRJBOG-IQCBXXCUSA-N 1 0 304.390 2.054 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000840940241 634934829 /nfs/dbraw/zinc/93/48/29/634934829.db2.gz WIZQOTXFUUXKTP-MRXNPFEDSA-N 1 0 319.493 2.338 20 10 DECDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000232644380 635933283 /nfs/dbraw/zinc/93/32/83/635933283.db2.gz XOZCCLMHXYTVTQ-SECBINFHSA-N 1 0 315.211 2.157 20 10 DECDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)NC)CC2)cc1 ZINC000840974401 635980498 /nfs/dbraw/zinc/98/04/98/635980498.db2.gz JCAKXWBYNMBBBL-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CS1(=O)=O ZINC000922244498 636029328 /nfs/dbraw/zinc/02/93/28/636029328.db2.gz NMOXTUWOJCPCJD-DOMZBBRYSA-N 1 0 309.431 2.067 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H](CO)CCc1ccccc1 ZINC000922544444 636231247 /nfs/dbraw/zinc/23/12/47/636231247.db2.gz QGZYJVMGDVQOCQ-HNNXBMFYSA-N 1 0 301.386 2.484 20 10 DECDRO CC[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004242447 636257138 /nfs/dbraw/zinc/25/71/38/636257138.db2.gz OMNYSKIHTVKUNX-UHFFFAOYSA-N 1 0 303.366 2.063 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCc2nnc3ccccn32)c1O ZINC000894152175 636308004 /nfs/dbraw/zinc/30/80/04/636308004.db2.gz IBDWIOHMKVYNHZ-UHFFFAOYSA-N 1 0 312.373 2.084 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000922736340 636356746 /nfs/dbraw/zinc/35/67/46/636356746.db2.gz KBZHUUHYDNSFGP-VOTSOKGWSA-N 1 0 324.490 2.426 20 10 DECDRO CCO[C@H](CNCc1c(O)cc(C)cc1Cl)C[NH+](C)C ZINC000922756948 636380021 /nfs/dbraw/zinc/38/00/21/636380021.db2.gz VJCKMVVWZIEAGF-GFCCVEGCSA-N 1 0 300.830 2.410 20 10 DECDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000922835377 636430568 /nfs/dbraw/zinc/43/05/68/636430568.db2.gz VNPCFLXFJOCPBF-UHFFFAOYSA-N 1 0 318.398 2.197 20 10 DECDRO COc1cc(C[NH+]2CCC(C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000125447086 636443325 /nfs/dbraw/zinc/44/33/25/636443325.db2.gz VUDJSHMMXQGSLG-UHFFFAOYSA-N 1 0 320.433 2.396 20 10 DECDRO CCc1[nH]c(C[NH2+]Cc2cc(OC)ccc2O)cc1C(=O)OC ZINC000894259354 636591373 /nfs/dbraw/zinc/59/13/73/636591373.db2.gz DNTJGMGQMVUJFW-UHFFFAOYSA-N 1 0 318.373 2.368 20 10 DECDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756460560 636789108 /nfs/dbraw/zinc/78/91/08/636789108.db2.gz SEMVVTZGOPTIOQ-NSHDSACASA-N 1 0 314.376 2.168 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922939717 636864633 /nfs/dbraw/zinc/86/46/33/636864633.db2.gz SQOWEIWDYRKERF-LBPRGKRZSA-N 1 0 316.195 2.050 20 10 DECDRO COC(=O)c1c(C[N@H+](C)CCCCO)c2cc(F)ccc2n1C ZINC000894537637 637095522 /nfs/dbraw/zinc/09/55/22/637095522.db2.gz GCAWDZCWJOPBLZ-UHFFFAOYSA-N 1 0 322.380 2.308 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COCO2)ccc1N1CCCCC1 ZINC000894870815 637277843 /nfs/dbraw/zinc/27/78/43/637277843.db2.gz MWQKLSUDTLNZSQ-AWEZNQCLSA-N 1 0 321.377 2.048 20 10 DECDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCS1(=O)=O ZINC000320605211 637581339 /nfs/dbraw/zinc/58/13/39/637581339.db2.gz ATXBZLHOCYRDOQ-RHSMWYFYSA-N 1 0 322.474 2.342 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000840825391 650363083 /nfs/dbraw/zinc/36/30/83/650363083.db2.gz FZGDQTOYJHBYNY-SWLSCSKDSA-N 1 0 302.418 2.448 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2CCSC2)cc(F)c1N1CCOCC1 ZINC000839146492 637788668 /nfs/dbraw/zinc/78/86/68/637788668.db2.gz JVFJSHYEMFLHSS-GFCCVEGCSA-N 1 0 314.401 2.397 20 10 DECDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000839185715 637813032 /nfs/dbraw/zinc/81/30/32/637813032.db2.gz XXHLAELTIAMKKO-OAHLLOKOSA-N 1 0 317.385 2.275 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1O ZINC000895237836 637827157 /nfs/dbraw/zinc/82/71/57/637827157.db2.gz VBVUWKLUGZQEEH-LKBUQDJMSA-N 1 0 311.447 2.489 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)c1 ZINC000840876107 650370225 /nfs/dbraw/zinc/37/02/25/650370225.db2.gz KKTMMQUKIHUOBF-LLVKDONJSA-N 1 0 315.435 2.265 20 10 DECDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000840881133 650371372 /nfs/dbraw/zinc/37/13/72/650371372.db2.gz XTAKTONGFBLJQQ-MRXNPFEDSA-N 1 0 310.463 2.371 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000840908531 650376724 /nfs/dbraw/zinc/37/67/24/650376724.db2.gz SOGQFTHKJWDWAG-UHFFFAOYSA-N 1 0 311.433 2.173 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000895323362 637927392 /nfs/dbraw/zinc/92/73/92/637927392.db2.gz BSCMVUCYGODKMK-ACJLOTCBSA-N 1 0 323.433 2.016 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000895323363 637927465 /nfs/dbraw/zinc/92/74/65/637927465.db2.gz BSCMVUCYGODKMK-FZKQIMNGSA-N 1 0 323.433 2.016 20 10 DECDRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741054440 637938142 /nfs/dbraw/zinc/93/81/42/637938142.db2.gz OFKGVHLHRJNXKB-HUUCEWRRSA-N 1 0 303.450 2.441 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1 ZINC000895341196 637945348 /nfs/dbraw/zinc/94/53/48/637945348.db2.gz FUYSPLDLWLVNQD-OAHLLOKOSA-N 1 0 303.406 2.080 20 10 DECDRO CNC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840917414 650379700 /nfs/dbraw/zinc/37/97/00/650379700.db2.gz JZDDQPGDSBLJDH-UHFFFAOYSA-N 1 0 303.450 2.409 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000840935809 650388985 /nfs/dbraw/zinc/38/89/85/650388985.db2.gz ZEXCYLMOFPDWSU-UHFFFAOYSA-N 1 0 312.479 2.364 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2CCCO)c(Cl)c1 ZINC000840951035 650394161 /nfs/dbraw/zinc/39/41/61/650394161.db2.gz RLCFBBPDCRPXEW-CYBMUJFWSA-N 1 0 312.841 2.290 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000840948611 650393628 /nfs/dbraw/zinc/39/36/28/650393628.db2.gz VNSYETMVMWEUIQ-VQIMIIECSA-N 1 0 317.477 2.356 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000840950043 650393774 /nfs/dbraw/zinc/39/37/74/650393774.db2.gz DXUBJZWTOXICOL-ZDUSSCGKSA-N 1 0 312.841 2.290 20 10 DECDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000895707409 638154234 /nfs/dbraw/zinc/15/42/34/638154234.db2.gz LMWXKRACPHSBBZ-GWJCSSMESA-N 1 0 305.296 2.325 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC000895748816 638177064 /nfs/dbraw/zinc/17/70/64/638177064.db2.gz JXGRBFYNJPEKSB-AWEZNQCLSA-N 1 0 305.349 2.233 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)c(O)c1OC ZINC000895876944 638240919 /nfs/dbraw/zinc/24/09/19/638240919.db2.gz IRILSEAGRBDKBV-CQSZACIVSA-N 1 0 309.406 2.440 20 10 DECDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000841034169 650409989 /nfs/dbraw/zinc/40/99/89/650409989.db2.gz GGOLUSRTQZSDJD-CQSZACIVSA-N 1 0 318.442 2.263 20 10 DECDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896157458 638383517 /nfs/dbraw/zinc/38/35/17/638383517.db2.gz YFQVMNUKOPXQKU-UHFFFAOYSA-N 1 0 320.414 2.480 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000896164927 638389920 /nfs/dbraw/zinc/38/99/20/638389920.db2.gz UIZAEVURHSMNFF-RISCZKNCSA-N 1 0 306.406 2.451 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c(O)c1OC ZINC000896231657 638426469 /nfs/dbraw/zinc/42/64/69/638426469.db2.gz SJCGGXGZHRMZJW-GFCCVEGCSA-N 1 0 319.361 2.090 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000896433391 638512312 /nfs/dbraw/zinc/51/23/12/638512312.db2.gz XBDMCSKLYSYOEM-HUUCEWRRSA-N 1 0 308.447 2.070 20 10 DECDRO CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCC[N@H+](C)C1 ZINC000896673373 638631614 /nfs/dbraw/zinc/63/16/14/638631614.db2.gz QVCHUKQALYXILM-NSHDSACASA-N 1 0 320.414 2.479 20 10 DECDRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)ccc1O ZINC000795844941 638707160 /nfs/dbraw/zinc/70/71/60/638707160.db2.gz MVPVZVDDZVRVRK-SNVBAGLBSA-N 1 0 306.740 2.468 20 10 DECDRO COc1cccc(O)c1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000751154524 639061714 /nfs/dbraw/zinc/06/17/14/639061714.db2.gz WYPORZGIPSFIDF-NRFANRHFSA-N 1 0 305.399 2.428 20 10 DECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000754142571 639393352 /nfs/dbraw/zinc/39/33/52/639393352.db2.gz HVEIMPRIPWRZOC-FVQBIDKESA-N 1 0 301.434 2.134 20 10 DECDRO COC(=O)CC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000754724014 639464487 /nfs/dbraw/zinc/46/44/87/639464487.db2.gz YYHKCVRGUVHAJQ-UHFFFAOYSA-N 1 0 307.390 2.484 20 10 DECDRO Oc1ccc(Cl)cc1C[NH2+]CCc1nnc2ccccn21 ZINC000021811546 639516314 /nfs/dbraw/zinc/51/63/14/639516314.db2.gz UIYQZMXQODPOST-UHFFFAOYSA-N 1 0 302.765 2.421 20 10 DECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756355352 639653876 /nfs/dbraw/zinc/65/38/76/639653876.db2.gz MURVFYIIDSJTQY-RKDXNWHRSA-N 1 0 315.211 2.330 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756537795 639670513 /nfs/dbraw/zinc/67/05/13/639670513.db2.gz ZWARAXXGJAPANW-MWLCHTKSSA-N 1 0 301.383 2.104 20 10 DECDRO COCCN1CC[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756552164 639672888 /nfs/dbraw/zinc/67/28/88/639672888.db2.gz LTUXXXQZUCCJOE-OBJOEFQTSA-N 1 0 308.397 2.390 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)c2c1c(F)ccc2O ZINC000756735977 639691195 /nfs/dbraw/zinc/69/11/95/639691195.db2.gz JWNJEBIVCANPNP-GIPNMCIBSA-N 1 0 304.365 2.433 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1 ZINC000839642566 639788369 /nfs/dbraw/zinc/78/83/69/639788369.db2.gz ONAJKXWVAFWVDO-FQEVSTJZSA-N 1 0 323.440 2.382 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654995 650531238 /nfs/dbraw/zinc/53/12/38/650531238.db2.gz QTHNOICLWRGMQN-XJKSGUPXSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000841719702 650551427 /nfs/dbraw/zinc/55/14/27/650551427.db2.gz OVIDSVFHESXBSS-LSDHHAIUSA-N 1 0 318.465 2.425 20 10 DECDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709982 650547134 /nfs/dbraw/zinc/54/71/34/650547134.db2.gz QVQYAFUYFSGLKQ-CVEARBPZSA-N 1 0 316.449 2.213 20 10 DECDRO C[NH+](C)CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC000760137764 640159109 /nfs/dbraw/zinc/15/91/09/640159109.db2.gz QFTYAWXUJXCSIJ-SOFGYWHQSA-N 1 0 318.417 2.349 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759684 650558531 /nfs/dbraw/zinc/55/85/31/650558531.db2.gz HILDGRQNILICEG-WFASDCNBSA-N 1 0 322.428 2.303 20 10 DECDRO C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987593935 640230770 /nfs/dbraw/zinc/23/07/70/640230770.db2.gz HGEOQCKVVZVTDX-GXFFZTMASA-N 1 0 321.356 2.011 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000987696595 640259593 /nfs/dbraw/zinc/25/95/93/640259593.db2.gz PVOKGUGQQXJIGP-DGCLKSJQSA-N 1 0 312.360 2.348 20 10 DECDRO Cc1cccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1O ZINC000761226788 640288033 /nfs/dbraw/zinc/28/80/33/640288033.db2.gz UNMWQHNSSDFXGJ-UHFFFAOYSA-N 1 0 305.422 2.278 20 10 DECDRO CN1CCCc2cc(CNC(=O)CCCC[NH+](C)C)ccc21 ZINC000729284741 640435575 /nfs/dbraw/zinc/43/55/75/640435575.db2.gz JZQSWCPQJWQMRF-UHFFFAOYSA-N 1 0 303.450 2.417 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841856165 650581542 /nfs/dbraw/zinc/58/15/42/650581542.db2.gz PLGLACNHCSYSOX-INIZCTEOSA-N 1 0 318.465 2.088 20 10 DECDRO CC1([NH3+])CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000841856425 650581566 /nfs/dbraw/zinc/58/15/66/650581566.db2.gz JIQUTGOXUYWTCQ-UHFFFAOYSA-N 1 0 314.480 2.148 20 10 DECDRO C[C@H](CCCC[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841856201 650581727 /nfs/dbraw/zinc/58/17/27/650581727.db2.gz GXAMCYOZNPZWKO-LLVKDONJSA-N 1 0 316.496 2.442 20 10 DECDRO C[N@H+](Cc1c(O)ccc2ccncc21)CC(C)(C)S(C)(=O)=O ZINC000763312483 640529221 /nfs/dbraw/zinc/52/92/21/640529221.db2.gz CCADPZXDLAXTRU-UHFFFAOYSA-N 1 0 322.430 2.195 20 10 DECDRO COc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000897525651 640569180 /nfs/dbraw/zinc/56/91/80/640569180.db2.gz RLOPGEDGLPWAKA-HNNXBMFYSA-N 1 0 315.421 2.266 20 10 DECDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841880625 650590971 /nfs/dbraw/zinc/59/09/71/650590971.db2.gz DYMZZTMAMHGZPL-WWGRRREGSA-N 1 0 304.438 2.111 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841880578 650591265 /nfs/dbraw/zinc/59/12/65/650591265.db2.gz DCYFURMTRBDYJB-DZGCQCFKSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880953 650591301 /nfs/dbraw/zinc/59/13/01/650591301.db2.gz KWBTXZLLXSGNMM-DYVFJYSZSA-N 1 0 304.438 2.194 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841891850 650595275 /nfs/dbraw/zinc/59/52/75/650595275.db2.gz QOPMFYFDYACXPM-GSJFWJNXSA-N 1 0 316.195 2.166 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000841893804 650595366 /nfs/dbraw/zinc/59/53/66/650595366.db2.gz JRXZGGYGDAGLFJ-GFCCVEGCSA-N 1 0 300.349 2.220 20 10 DECDRO O=C(NCc1ccccc1O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764837892 640701040 /nfs/dbraw/zinc/70/10/40/640701040.db2.gz BACVNTFUCYWZJI-HNNXBMFYSA-N 1 0 303.406 2.208 20 10 DECDRO CC[NH2+]CCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000841917259 650601866 /nfs/dbraw/zinc/60/18/66/650601866.db2.gz CSAKDWNNONTJRV-UHFFFAOYSA-N 1 0 306.454 2.284 20 10 DECDRO CC(C)[NH2+]CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841934552 650605550 /nfs/dbraw/zinc/60/55/50/650605550.db2.gz ZRTKOVHGXGYXSN-UHFFFAOYSA-N 1 0 319.449 2.458 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841936249 650606289 /nfs/dbraw/zinc/60/62/89/650606289.db2.gz GMJJLAFINQTNHQ-MRXNPFEDSA-N 1 0 318.465 2.425 20 10 DECDRO c1nn2ccccc2c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000729678404 640824106 /nfs/dbraw/zinc/82/41/06/640824106.db2.gz UAWKLKJOSIJFMM-UHFFFAOYSA-N 1 0 322.412 2.461 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000897620458 640875194 /nfs/dbraw/zinc/87/51/94/640875194.db2.gz OPKSBQNXJCVULQ-IYBDPMFKSA-N 1 0 322.474 2.009 20 10 DECDRO C[C@H](CCCC[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841994793 650621963 /nfs/dbraw/zinc/62/19/63/650621963.db2.gz KMDJVVIKCGXFQV-CQSZACIVSA-N 1 0 306.454 2.412 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000898111098 641024127 /nfs/dbraw/zinc/02/41/27/641024127.db2.gz BAHWEVXUHUEFEC-HNNXBMFYSA-N 1 0 307.390 2.137 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000898114241 641024897 /nfs/dbraw/zinc/02/48/97/641024897.db2.gz BDCHNKIWVDIJNG-BLLLJJGKSA-N 1 0 307.390 2.390 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1O ZINC000898152588 641038710 /nfs/dbraw/zinc/03/87/10/641038710.db2.gz LSDCBIGTYTVCKG-GXTWGEPZSA-N 1 0 314.389 2.207 20 10 DECDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000842009523 650627306 /nfs/dbraw/zinc/62/73/06/650627306.db2.gz BTMZVYQQIHNNSN-TZMCWYRMSA-N 1 0 317.433 2.198 20 10 DECDRO CCOc1ccc(O)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000768191426 641058533 /nfs/dbraw/zinc/05/85/33/641058533.db2.gz HHUTUKNHMIVKHH-QGZVFWFLSA-N 1 0 320.433 2.088 20 10 DECDRO OCCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768236278 641061560 /nfs/dbraw/zinc/06/15/60/641061560.db2.gz FRQBFCCCEBOZPL-UHFFFAOYSA-N 1 0 322.424 2.257 20 10 DECDRO CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768449614 641083657 /nfs/dbraw/zinc/08/36/57/641083657.db2.gz WXAXSRZFGMSWTQ-BLLLJJGKSA-N 1 0 307.390 2.067 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OC ZINC000768462736 641085226 /nfs/dbraw/zinc/08/52/26/641085226.db2.gz COOASPPSBSNGGX-OCCSQVGLSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)s1 ZINC000768466240 641086099 /nfs/dbraw/zinc/08/60/99/641086099.db2.gz WBWOOFVLWRJSOE-CQSZACIVSA-N 1 0 320.414 2.257 20 10 DECDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000089514692 641192297 /nfs/dbraw/zinc/19/22/97/641192297.db2.gz MLHLFVOHVJOVNA-OAHLLOKOSA-N 1 0 300.406 2.071 20 10 DECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1OC)CC2 ZINC000769427826 641238250 /nfs/dbraw/zinc/23/82/50/641238250.db2.gz PKKGCEKRWRZICA-ZDUSSCGKSA-N 1 0 305.374 2.176 20 10 DECDRO CC1(O)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769448041 641241498 /nfs/dbraw/zinc/24/14/98/641241498.db2.gz XVCARWGPFWXJGW-UHFFFAOYSA-N 1 0 308.397 2.009 20 10 DECDRO CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989837485 641247038 /nfs/dbraw/zinc/24/70/38/641247038.db2.gz CXGYMBVZRVBEBS-SMDDNHRTSA-N 1 0 317.393 2.450 20 10 DECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770377575 641361596 /nfs/dbraw/zinc/36/15/96/641361596.db2.gz AIQLVDOJBYUHSS-OAHLLOKOSA-N 1 0 307.413 2.192 20 10 DECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000771865383 641563897 /nfs/dbraw/zinc/56/38/97/641563897.db2.gz XGQVYYRCSCVGFL-CYBMUJFWSA-N 1 0 300.358 2.468 20 10 DECDRO C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1O ZINC000924673449 641571771 /nfs/dbraw/zinc/57/17/71/641571771.db2.gz JEGUAUNIGDPLRG-LBPRGKRZSA-N 1 0 314.389 2.414 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)cc1 ZINC000927131129 641660675 /nfs/dbraw/zinc/66/06/75/641660675.db2.gz HTPGUQBWORPQDH-DYVFJYSZSA-N 1 0 302.422 2.260 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H]2CCCOC2)N(C)C)cc1 ZINC000898449454 641660748 /nfs/dbraw/zinc/66/07/48/641660748.db2.gz GEMQQZLVFSKMRO-YJBOKZPZSA-N 1 0 305.466 2.372 20 10 DECDRO Cc1cc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C ZINC000898450097 641662009 /nfs/dbraw/zinc/66/20/09/641662009.db2.gz NHJVXBZVCQECBP-SFHVURJKSA-N 1 0 315.465 2.187 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773372248 641765798 /nfs/dbraw/zinc/76/57/98/641765798.db2.gz QMTQAKNHTGKBGD-ZIAGYGMSSA-N 1 0 306.454 2.453 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000773755728 641819942 /nfs/dbraw/zinc/81/99/42/641819942.db2.gz NQMNECLWDWSNAD-UHFFFAOYSA-N 1 0 311.433 2.255 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)CN1C ZINC000775981669 642118934 /nfs/dbraw/zinc/11/89/34/642118934.db2.gz SPRNPKXMRIZXBF-CVEARBPZSA-N 1 0 303.450 2.048 20 10 DECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000776485447 642176807 /nfs/dbraw/zinc/17/68/07/642176807.db2.gz RKXIJHSDLRVMQJ-CABCVRRESA-N 1 0 311.353 2.018 20 10 DECDRO COc1cc(O)c(C[NH+]2CCC(O)(C(F)F)CC2)cc1OC ZINC000777575319 642283311 /nfs/dbraw/zinc/28/33/11/642283311.db2.gz SEYOOYLRNNDOKY-UHFFFAOYSA-N 1 0 317.332 2.001 20 10 DECDRO Fc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000778160329 642345900 /nfs/dbraw/zinc/34/59/00/642345900.db2.gz SVOGIPGXNNFKJJ-UHFFFAOYSA-N 1 0 301.365 2.347 20 10 DECDRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000778234352 642358216 /nfs/dbraw/zinc/35/82/16/642358216.db2.gz KAUFVQDWYLYHPJ-GXFFZTMASA-N 1 0 321.373 2.287 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000779030862 642456734 /nfs/dbraw/zinc/45/67/34/642456734.db2.gz XTWZFINIFKZDSD-BDAKNGLRSA-N 1 0 315.211 2.378 20 10 DECDRO COC(=O)CC1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCC1 ZINC000779199858 642472033 /nfs/dbraw/zinc/47/20/33/642472033.db2.gz OYXLVKCMKTZORM-UHFFFAOYSA-N 1 0 309.337 2.309 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C ZINC000779539498 642509492 /nfs/dbraw/zinc/50/94/92/642509492.db2.gz GLPNFZNJYCFXPX-BZGOVLQXSA-N 1 0 304.390 2.052 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cn(C)nn3)CC2)cc1 ZINC000902787053 643145791 /nfs/dbraw/zinc/14/57/91/643145791.db2.gz WELNLXMNCVLVHJ-ZDUSSCGKSA-N 1 0 315.421 2.143 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903067898 643236426 /nfs/dbraw/zinc/23/64/26/643236426.db2.gz XXZVFNQZXRYDPR-ROUUACIJSA-N 1 0 302.418 2.324 20 10 DECDRO CCOC(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)OCC ZINC000786833810 643415480 /nfs/dbraw/zinc/41/54/80/643415480.db2.gz GHJNUDBXPVRXFU-UHFFFAOYSA-N 1 0 322.449 2.402 20 10 DECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000841077610 643426464 /nfs/dbraw/zinc/42/64/64/643426464.db2.gz DDRYFRQLLCUSLI-RYUDHWBXSA-N 1 0 317.202 2.253 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CC[C@@]32C[NH3+])c1O ZINC000903796070 643465658 /nfs/dbraw/zinc/46/56/58/643465658.db2.gz RYRJEPUCPZDXBO-CXAGYDPISA-N 1 0 306.381 2.437 20 10 DECDRO CO[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000787217049 643467096 /nfs/dbraw/zinc/46/70/96/643467096.db2.gz NJQGRBZMCLHPJS-QGZVFWFLSA-N 1 0 319.449 2.168 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787375755 643488701 /nfs/dbraw/zinc/48/87/01/643488701.db2.gz FYUXYTWWBVOABA-KRWDZBQOSA-N 1 0 301.434 2.304 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787443200 643495887 /nfs/dbraw/zinc/49/58/87/643495887.db2.gz BLLPWRUTKQOSKC-NHYWBVRUSA-N 1 0 304.390 2.205 20 10 DECDRO CN(C)c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903973416 643531069 /nfs/dbraw/zinc/53/10/69/643531069.db2.gz CQBCVOJMJRRBQJ-HNNXBMFYSA-N 1 0 321.440 2.140 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000924795278 643578296 /nfs/dbraw/zinc/57/82/96/643578296.db2.gz MMWYAHCZQXEYTI-HHXXYDBFSA-N 1 0 315.461 2.268 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904376401 643653983 /nfs/dbraw/zinc/65/39/83/643653983.db2.gz RCAAWYWIWCVYCD-SFHVURJKSA-N 1 0 305.466 2.453 20 10 DECDRO NC(=O)CC1([NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000789555695 643748436 /nfs/dbraw/zinc/74/84/36/643748436.db2.gz XPOFVFURXCFOBB-UHFFFAOYSA-N 1 0 313.195 2.042 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1(O)CCCC1 ZINC000905035118 643765338 /nfs/dbraw/zinc/76/53/38/643765338.db2.gz MOXFZNDYIGJJMZ-QGZVFWFLSA-N 1 0 304.434 2.042 20 10 DECDRO COCC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CC[C@@H](C)C1 ZINC000790481643 643857921 /nfs/dbraw/zinc/85/79/21/643857921.db2.gz YABNFBGRFXNXQQ-MRRJBJDNSA-N 1 0 321.417 2.455 20 10 DECDRO Cc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(O)c1O ZINC000791146014 643933707 /nfs/dbraw/zinc/93/37/07/643933707.db2.gz DHSRECANHGBIMV-CYBMUJFWSA-N 1 0 306.406 2.256 20 10 DECDRO CCCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000843053358 650878575 /nfs/dbraw/zinc/87/85/75/650878575.db2.gz XSXJRFAPYUAAGF-SFHVURJKSA-N 1 0 303.450 2.097 20 10 DECDRO CC(C)CNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905529759 643945991 /nfs/dbraw/zinc/94/59/91/643945991.db2.gz NXVAXXOHRPXOEB-UHFFFAOYSA-N 1 0 320.506 2.059 20 10 DECDRO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000905740640 644027086 /nfs/dbraw/zinc/02/70/86/644027086.db2.gz LFIXDSLYALOCHL-ZDUSSCGKSA-N 1 0 301.346 2.192 20 10 DECDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793046887 644184878 /nfs/dbraw/zinc/18/48/78/644184878.db2.gz DYACFNXXBKWSNZ-AWEZNQCLSA-N 1 0 320.355 2.258 20 10 DECDRO OC[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793319963 644232697 /nfs/dbraw/zinc/23/26/97/644232697.db2.gz ABNREDKFMZZMLS-QGZVFWFLSA-N 1 0 304.434 2.164 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000795688548 644620426 /nfs/dbraw/zinc/62/04/26/644620426.db2.gz GASYAMIVNDFSLK-HOCLYGCPSA-N 1 0 320.433 2.004 20 10 DECDRO Cc1ccc(/C=C/C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000843299504 650944695 /nfs/dbraw/zinc/94/46/95/650944695.db2.gz WUXHDVVIQISVHE-QKIXSCASSA-N 1 0 324.428 2.285 20 10 DECDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796393256 644730301 /nfs/dbraw/zinc/73/03/01/644730301.db2.gz HSKZXYLLJUMTAQ-BBRMVZONSA-N 1 0 321.490 2.052 20 10 DECDRO COc1ccc(N2CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000843508140 650986903 /nfs/dbraw/zinc/98/69/03/650986903.db2.gz SJSVKLPSCHHELZ-AWEZNQCLSA-N 1 0 319.449 2.155 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000839919446 645301443 /nfs/dbraw/zinc/30/14/43/645301443.db2.gz QUCIJJSKDQQVKS-HNNXBMFYSA-N 1 0 317.477 2.450 20 10 DECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000806809934 645874420 /nfs/dbraw/zinc/87/44/20/645874420.db2.gz DVPZQJGQPADPEM-AWEZNQCLSA-N 1 0 321.421 2.074 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000840085469 645920068 /nfs/dbraw/zinc/92/00/68/645920068.db2.gz GSBGOXOUBWFQON-UHFFFAOYSA-N 1 0 307.390 2.438 20 10 DECDRO CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000843989479 651059574 /nfs/dbraw/zinc/05/95/74/651059574.db2.gz OMAWGSXCPJHBSH-HZRUHFOJSA-N 1 0 304.390 2.054 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000840105944 645971819 /nfs/dbraw/zinc/97/18/19/645971819.db2.gz GJYXZMPAUXXVMK-AWEZNQCLSA-N 1 0 322.405 2.372 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000808717623 646131588 /nfs/dbraw/zinc/13/15/88/646131588.db2.gz KCAZPDDSOUASQT-VHSXEESVSA-N 1 0 302.777 2.479 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000808717548 646131759 /nfs/dbraw/zinc/13/17/59/646131759.db2.gz DFRAXBYIJJQZPP-MRVPVSSYSA-N 1 0 306.740 2.386 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1O ZINC000808712144 646131917 /nfs/dbraw/zinc/13/19/17/646131917.db2.gz CAYGKALAZIIBIP-SNVBAGLBSA-N 1 0 322.796 2.158 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000840185960 646289472 /nfs/dbraw/zinc/28/94/72/646289472.db2.gz VHTCKGHRMVMGJN-KRWDZBQOSA-N 1 0 307.390 2.484 20 10 DECDRO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000810135078 646329958 /nfs/dbraw/zinc/32/99/58/646329958.db2.gz IGEPRTJEAQGODT-AWEZNQCLSA-N 1 0 300.406 2.406 20 10 DECDRO COc1cc(C)cc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000164446666 646445893 /nfs/dbraw/zinc/44/58/93/646445893.db2.gz POXVXYBUMATPCO-UHFFFAOYSA-N 1 0 320.433 2.006 20 10 DECDRO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CC(=O)N(C)C1=O ZINC000815111983 646971159 /nfs/dbraw/zinc/97/11/59/646971159.db2.gz JADXIZZZLVSZJQ-INIZCTEOSA-N 1 0 317.433 2.030 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816666643 647165090 /nfs/dbraw/zinc/16/50/90/647165090.db2.gz SIUZAKHCJFUIKI-MSOLQXFVSA-N 1 0 321.417 2.201 20 10 DECDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000914338574 647271977 /nfs/dbraw/zinc/27/19/77/647271977.db2.gz ZEYYUKTZTIVEHZ-LBPRGKRZSA-N 1 0 309.385 2.062 20 10 DECDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000817413126 647288879 /nfs/dbraw/zinc/28/88/79/647288879.db2.gz UOWMRKDAFWYBOA-GDBMZVCRSA-N 1 0 322.424 2.113 20 10 DECDRO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889379 647371609 /nfs/dbraw/zinc/37/16/09/647371609.db2.gz UFABPXVTKUBPAQ-DLBZAZTESA-N 1 0 321.440 2.412 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000817957629 647392915 /nfs/dbraw/zinc/39/29/15/647392915.db2.gz NGJNYPOGHYLVAO-QWHCGFSZSA-N 1 0 306.406 2.219 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000817996639 647402582 /nfs/dbraw/zinc/40/25/82/647402582.db2.gz LBNQYYKRYUPJEN-XHDPSFHLSA-N 1 0 306.406 2.356 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(C)CC3)C2)cc1 ZINC000818222268 647435929 /nfs/dbraw/zinc/43/59/29/647435929.db2.gz WAFXOMNXTIEKPI-OAHLLOKOSA-N 1 0 303.450 2.205 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C)nc3C)C2)cc1 ZINC000818221861 647436050 /nfs/dbraw/zinc/43/60/50/647436050.db2.gz OHKLKOOGFGNELJ-OAHLLOKOSA-N 1 0 314.433 2.353 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1F ZINC000818984743 647557262 /nfs/dbraw/zinc/55/72/62/647557262.db2.gz FTAWMJGWEYESBH-MRXNPFEDSA-N 1 0 307.344 2.249 20 10 DECDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818985264 647557383 /nfs/dbraw/zinc/55/73/83/647557383.db2.gz QCRGCZDTJDMIEO-QGZVFWFLSA-N 1 0 306.450 2.335 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000818997223 647561584 /nfs/dbraw/zinc/56/15/84/647561584.db2.gz VDPJSMMWYPQIJY-QGZVFWFLSA-N 1 0 301.361 2.454 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000819377319 647647171 /nfs/dbraw/zinc/64/71/71/647647171.db2.gz PKNGYTYUGOQBOG-DNVCBOLYSA-N 1 0 319.493 2.037 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000915927416 647818825 /nfs/dbraw/zinc/81/88/25/647818825.db2.gz LZDZATPVDYBTTQ-WBVHZDCISA-N 1 0 316.449 2.179 20 10 DECDRO C[NH+](C)CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000821071146 647984324 /nfs/dbraw/zinc/98/43/24/647984324.db2.gz WFPPWEDEEPHLEQ-UHFFFAOYSA-N 1 0 302.418 2.229 20 10 DECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@](C)(O)c1ccccc1 ZINC000822515405 648224118 /nfs/dbraw/zinc/22/41/18/648224118.db2.gz ALVKVCANTCTRMY-GOSISDBHSA-N 1 0 315.369 2.460 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC000824451345 648591115 /nfs/dbraw/zinc/59/11/15/648591115.db2.gz UIAAMRRPWVAEJW-CYBMUJFWSA-N 1 0 320.389 2.065 20 10 DECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CC12COC2 ZINC000824490115 648596092 /nfs/dbraw/zinc/59/60/92/648596092.db2.gz VTHAFUSGZPEXHL-HNNXBMFYSA-N 1 0 319.401 2.021 20 10 DECDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501418 648598880 /nfs/dbraw/zinc/59/88/80/648598880.db2.gz KFYPZLLJBFGEFE-ROUUACIJSA-N 1 0 312.413 2.450 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000824654765 648630159 /nfs/dbraw/zinc/63/01/59/648630159.db2.gz QIQZHZVQTMXLPL-JQHSSLGASA-N 1 0 304.434 2.114 20 10 DECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824696803 648637099 /nfs/dbraw/zinc/63/70/99/648637099.db2.gz TVJSQANBLQEXTM-ZDUSSCGKSA-N 1 0 310.413 2.301 20 10 DECDRO CNC(=O)CC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824703328 648639407 /nfs/dbraw/zinc/63/94/07/648639407.db2.gz ZUYYMRQAEVYRRD-UHFFFAOYSA-N 1 0 308.422 2.266 20 10 DECDRO CNC(=O)CCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000824884489 648666631 /nfs/dbraw/zinc/66/66/31/648666631.db2.gz ZBUNOJVPIQVEGW-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCNC(=O)c2ccco2)cc1Cl ZINC000825077837 648698505 /nfs/dbraw/zinc/69/85/05/648698505.db2.gz JNYBIUZMIUPLEM-UHFFFAOYSA-N 1 0 308.765 2.467 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CO)CC2)cc1 ZINC000825183388 648721832 /nfs/dbraw/zinc/72/18/32/648721832.db2.gz MHYDMIPUJHHJIE-RDTXWAMCSA-N 1 0 304.434 2.415 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000825247188 648731067 /nfs/dbraw/zinc/73/10/67/648731067.db2.gz OEOFDJFTNWPRED-KGLIPLIRSA-N 1 0 310.825 2.307 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1F ZINC000825279589 648735417 /nfs/dbraw/zinc/73/54/17/648735417.db2.gz SVCZYJNLWXZGOS-UONOGXRCSA-N 1 0 307.413 2.416 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1Cl ZINC000825308499 648738774 /nfs/dbraw/zinc/73/87/74/648738774.db2.gz ADYCOWFRVWPKQV-QKCSRTOESA-N 1 0 308.809 2.453 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1Cl ZINC000825308501 648739185 /nfs/dbraw/zinc/73/91/85/648739185.db2.gz ADYCOWFRVWPKQV-ZKYQVNSYSA-N 1 0 308.809 2.453 20 10 DECDRO COc1cc(CN2C[C@H](C)O[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825651720 648793865 /nfs/dbraw/zinc/79/38/65/648793865.db2.gz KFWCXYSOJPXGHL-WFASDCNBSA-N 1 0 323.433 2.280 20 10 DECDRO COc1cc(C[N@H+](C)CCOCCO)c(O)c(C(C)(C)C)c1 ZINC000825780018 648811837 /nfs/dbraw/zinc/81/18/37/648811837.db2.gz TWTXDWMLMAAYMJ-UHFFFAOYSA-N 1 0 311.422 2.139 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1O ZINC000826821770 648931650 /nfs/dbraw/zinc/93/16/50/648931650.db2.gz CSOMVCPIYHRRET-YGRLFVJLSA-N 1 0 315.797 2.195 20 10 DECDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000182992873 649026286 /nfs/dbraw/zinc/02/62/86/649026286.db2.gz PDYWBBGKQDHLMN-SNVBAGLBSA-N 1 0 308.494 2.038 20 10 DECDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000827544968 649049034 /nfs/dbraw/zinc/04/90/34/649049034.db2.gz PVTVXHYCKZOEBP-CQSZACIVSA-N 1 0 322.428 2.079 20 10 DECDRO COc1cccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1O ZINC000827839775 649093189 /nfs/dbraw/zinc/09/31/89/649093189.db2.gz XAJXHPASUJCYQZ-UHFFFAOYSA-N 1 0 312.369 2.058 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)C=CCC3)cc2)CC1 ZINC000829296589 649291625 /nfs/dbraw/zinc/29/16/25/649291625.db2.gz KJSZPQNFMZROEH-IBGZPJMESA-N 1 0 313.445 2.411 20 10 DECDRO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000184740559 649360756 /nfs/dbraw/zinc/36/07/56/649360756.db2.gz PWERYRWSVRTNGM-LJQANCHMSA-N 1 0 317.477 2.295 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1 ZINC000829927346 649374544 /nfs/dbraw/zinc/37/45/44/649374544.db2.gz QLRGGFQTKCQWDJ-GOSISDBHSA-N 1 0 300.402 2.456 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)ccc1N(C)C ZINC000830130353 649397900 /nfs/dbraw/zinc/39/79/00/649397900.db2.gz WISXGFGHEXBGDY-MRXNPFEDSA-N 1 0 317.433 2.335 20 10 DECDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185029672 649421754 /nfs/dbraw/zinc/42/17/54/649421754.db2.gz GTJGXHSEXDJMBK-ZDUSSCGKSA-N 1 0 314.451 2.023 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000831012352 649528832 /nfs/dbraw/zinc/52/88/32/649528832.db2.gz MYFGIKMFZGLVFM-QGZVFWFLSA-N 1 0 304.438 2.084 20 10 DECDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000831104555 649539091 /nfs/dbraw/zinc/53/90/91/649539091.db2.gz ZYWAURRCGQHHJB-KBPBESRZSA-N 1 0 304.438 2.212 20 10 DECDRO COc1ccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c(O)c1 ZINC000832177886 649681595 /nfs/dbraw/zinc/68/15/95/649681595.db2.gz IUPGOTLMKBNLQX-PXAZEXFGSA-N 1 0 314.385 2.353 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccnc2Cl)cc1 ZINC000832282337 649691942 /nfs/dbraw/zinc/69/19/42/649691942.db2.gz YUOKHPKLDDZLIU-CQSZACIVSA-N 1 0 318.808 2.231 20 10 DECDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)o1 ZINC000832292308 649693096 /nfs/dbraw/zinc/69/30/96/649693096.db2.gz FLUUWDUPNNFPEN-MRXNPFEDSA-N 1 0 301.390 2.392 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Cl)ccn2)cc1 ZINC000832293623 649693301 /nfs/dbraw/zinc/69/33/01/649693301.db2.gz ZBCGFEOBUYILSW-AWEZNQCLSA-N 1 0 318.808 2.231 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846071144 651306454 /nfs/dbraw/zinc/30/64/54/651306454.db2.gz BYGWXZYXBLPUQK-SNVBAGLBSA-N 1 0 324.808 2.155 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1O ZINC000846137006 651310085 /nfs/dbraw/zinc/31/00/85/651310085.db2.gz PYGGTKXABZUATN-GDBMZVCRSA-N 1 0 322.449 2.408 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000846138751 651310539 /nfs/dbraw/zinc/31/05/39/651310539.db2.gz NKIBGQAVYJQCRT-LBPRGKRZSA-N 1 0 318.417 2.452 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c1O ZINC000846138994 651310554 /nfs/dbraw/zinc/31/05/54/651310554.db2.gz NVPMOTJNVUPAMR-KBPBESRZSA-N 1 0 317.385 2.491 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000846160168 651311873 /nfs/dbraw/zinc/31/18/73/651311873.db2.gz UATZVWUPNJBRHA-OGHNNQOOSA-N 1 0 307.390 2.390 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)CCCC[NH+](C)C)cc1 ZINC000846447100 651331123 /nfs/dbraw/zinc/33/11/23/651331123.db2.gz RCKAROIJSXAJCM-UHFFFAOYSA-N 1 0 321.465 2.322 20 10 DECDRO Cc1cc(C[NH+]2CCC(N3CN=NC3=O)CC2)ccc1N(C)C ZINC000846885357 651359178 /nfs/dbraw/zinc/35/91/78/651359178.db2.gz JVYKUKWKGZWIIV-UHFFFAOYSA-N 1 0 315.421 2.195 20 10 DECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000848558074 651470447 /nfs/dbraw/zinc/47/04/47/651470447.db2.gz JOZAHFJXEZQQGY-RNCFNFMXSA-N 1 0 318.211 2.203 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848594882 651476898 /nfs/dbraw/zinc/47/68/98/651476898.db2.gz HCHRBUCQJSXMIV-GFCCVEGCSA-N 1 0 319.327 2.203 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848594883 651476974 /nfs/dbraw/zinc/47/69/74/651476974.db2.gz HCHRBUCQJSXMIV-LBPRGKRZSA-N 1 0 319.327 2.203 20 10 DECDRO C[N@@H+]1CC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000854512851 651492170 /nfs/dbraw/zinc/49/21/70/651492170.db2.gz DQRRUCCTYGEQTA-CYBMUJFWSA-N 1 0 321.384 2.287 20 10 DECDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112447869 651523597 /nfs/dbraw/zinc/52/35/97/651523597.db2.gz PWXQPYVTLYRXDV-UHFFFAOYSA-N 1 0 324.444 2.423 20 10 DECDRO CCc1cccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1O ZINC000848912940 651558736 /nfs/dbraw/zinc/55/87/36/651558736.db2.gz MNKIYCCZUCKDHX-UHFFFAOYSA-N 1 0 311.447 2.211 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000848929101 651564882 /nfs/dbraw/zinc/56/48/82/651564882.db2.gz ANHOCLXTQLJACA-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000848929819 651565771 /nfs/dbraw/zinc/56/57/71/651565771.db2.gz JKSYKEAGHJMXCM-KRWDZBQOSA-N 1 0 304.434 2.387 20 10 DECDRO CCN(CC)C(=[NH2+])NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000849069670 651598299 /nfs/dbraw/zinc/59/82/99/651598299.db2.gz BRVREEWVSLLQAT-UHFFFAOYSA-N 1 0 322.428 2.153 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(C)c[nH]3)C2)cc1 ZINC000850329931 651900417 /nfs/dbraw/zinc/90/04/17/651900417.db2.gz GJXKBNKWBTZZRF-AWEZNQCLSA-N 1 0 300.406 2.343 20 10 DECDRO CCn1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850347055 651904658 /nfs/dbraw/zinc/90/46/58/651904658.db2.gz MSBIXVRUUFWFDQ-HNNXBMFYSA-N 1 0 300.406 2.280 20 10 DECDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850380556 651915692 /nfs/dbraw/zinc/91/56/92/651915692.db2.gz WZRPLQIBJHKORO-UHFFFAOYSA-N 1 0 301.346 2.022 20 10 DECDRO COc1cccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1O ZINC000850400739 651920075 /nfs/dbraw/zinc/92/00/75/651920075.db2.gz MWOQATLZZMLEMU-KRWDZBQOSA-N 1 0 309.406 2.058 20 10 DECDRO CCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)COC1 ZINC000850406081 651922014 /nfs/dbraw/zinc/92/20/14/651922014.db2.gz QQMVBGKOXGDKJK-UHFFFAOYSA-N 1 0 304.434 2.164 20 10 DECDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850411531 651922969 /nfs/dbraw/zinc/92/29/69/651922969.db2.gz DWBVGHAIIQIYKY-MLGOLLRUSA-N 1 0 315.369 2.375 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cn3cccn3)C2)cc1 ZINC000850488590 651937703 /nfs/dbraw/zinc/93/77/03/651937703.db2.gz NNRDGDUGNPKIHU-CABCVRRESA-N 1 0 300.406 2.149 20 10 DECDRO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000857060738 652043553 /nfs/dbraw/zinc/04/35/53/652043553.db2.gz FOMXKUDPLUOJLT-HNNXBMFYSA-N 1 0 303.383 2.152 20 10 DECDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC000857226744 652083525 /nfs/dbraw/zinc/08/35/25/652083525.db2.gz YMMNPZPCQAAWCU-FZMZJTMJSA-N 1 0 311.223 2.468 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1F ZINC000851627273 652191921 /nfs/dbraw/zinc/19/19/21/652191921.db2.gz KIGABWBSWPYSDN-UHFFFAOYSA-N 1 0 305.397 2.170 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000851678182 652204676 /nfs/dbraw/zinc/20/46/76/652204676.db2.gz QICOGZHMUACYAH-BXUZGUMPSA-N 1 0 309.410 2.134 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CNC(=O)C1 ZINC000851715685 652212934 /nfs/dbraw/zinc/21/29/34/652212934.db2.gz BADJDDURMOILBQ-MRXNPFEDSA-N 1 0 301.434 2.245 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CNC(=O)C1 ZINC000851715684 652213268 /nfs/dbraw/zinc/21/32/68/652213268.db2.gz BADJDDURMOILBQ-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCCN2CCCC2=O)cc1F ZINC000858088949 652251771 /nfs/dbraw/zinc/25/17/71/652251771.db2.gz ZSXOVZUZJYGNBW-UHFFFAOYSA-N 1 0 311.376 2.133 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000858120205 652258932 /nfs/dbraw/zinc/25/89/32/652258932.db2.gz RJSRRIHGCQWNEW-UHFFFAOYSA-N 1 0 303.406 2.127 20 10 DECDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858241464 652287368 /nfs/dbraw/zinc/28/73/68/652287368.db2.gz UVWZANXUZOJWCZ-QGZVFWFLSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000858277432 652295171 /nfs/dbraw/zinc/29/51/71/652295171.db2.gz MUJFBYRSAMFPSL-CQSZACIVSA-N 1 0 305.422 2.374 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000858283267 652295991 /nfs/dbraw/zinc/29/59/91/652295991.db2.gz FLWAZMARFPXSAM-OAHLLOKOSA-N 1 0 312.369 2.317 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000858322506 652305818 /nfs/dbraw/zinc/30/58/18/652305818.db2.gz YCYVZXXKNLHBRE-XYPYZODXSA-N 1 0 316.195 2.430 20 10 DECDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000852554197 652420118 /nfs/dbraw/zinc/42/01/18/652420118.db2.gz GAZFRSIFZBEDRC-QGZVFWFLSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H](Cc1ccco1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791769 652457929 /nfs/dbraw/zinc/45/79/29/652457929.db2.gz MAYZGXQGUYPDBF-SUMWQHHRSA-N 1 0 315.417 2.340 20 10 DECDRO Nc1ccc(CC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000852924869 652480762 /nfs/dbraw/zinc/48/07/62/652480762.db2.gz VSKBPHDPGNBFKU-UHFFFAOYSA-N 1 0 301.434 2.050 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1OC ZINC000853529435 652563255 /nfs/dbraw/zinc/56/32/55/652563255.db2.gz WGFTYTKEPYBPOL-QGZVFWFLSA-N 1 0 307.390 2.410 20 10 DECDRO OCC1(CC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000395955999 685460898 /nfs/dbraw/zinc/46/08/98/685460898.db2.gz VRDCPEMHVNMTIT-UHFFFAOYSA-N 1 0 300.196 2.407 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602978 685567093 /nfs/dbraw/zinc/56/70/93/685567093.db2.gz OISDFZPOIKALBD-IAQYHMDHSA-N 1 0 304.390 2.205 20 10 DECDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000078267449 683960622 /nfs/dbraw/zinc/96/06/22/683960622.db2.gz FSDJDILKYZQJIG-UHFFFAOYSA-N 1 0 306.406 2.093 20 10 DECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccccc1O ZINC000079293187 683971656 /nfs/dbraw/zinc/97/16/56/683971656.db2.gz QMARLDNZJXHBTF-AWEZNQCLSA-N 1 0 305.422 2.408 20 10 DECDRO CC[N@H+](CC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000131667203 684201066 /nfs/dbraw/zinc/20/10/66/684201066.db2.gz HXQPIPBPRQRUGN-UHFFFAOYSA-N 1 0 301.434 2.170 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)c1 ZINC000193807514 685049751 /nfs/dbraw/zinc/04/97/51/685049751.db2.gz DNXVAJVYJIKWCL-CYBMUJFWSA-N 1 0 314.385 2.368 20 10 DECDRO C[C@@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C[NH2+]1 ZINC000861568025 686146156 /nfs/dbraw/zinc/14/61/56/686146156.db2.gz NILQMDOGKSJCDA-CJNGLKHVSA-N 1 0 316.449 2.009 20 10 DECDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862225272 686258923 /nfs/dbraw/zinc/25/89/23/686258923.db2.gz QCQAYWHBLNZIMY-GHMZBOCLSA-N 1 0 311.376 2.117 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1F ZINC000862367657 686284075 /nfs/dbraw/zinc/28/40/75/686284075.db2.gz QIIYCTJCAPMCEW-GFCCVEGCSA-N 1 0 312.282 2.434 20 10 DECDRO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2O)CC[C@@H]1C(F)(F)F ZINC000863645470 686539405 /nfs/dbraw/zinc/53/94/05/686539405.db2.gz IBWCUICTILEQQO-MNOVXSKESA-N 1 0 306.303 2.490 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccccc1O ZINC000865269108 687163809 /nfs/dbraw/zinc/16/38/09/687163809.db2.gz AELBUUHWAHSGBK-STQMWFEESA-N 1 0 307.463 2.402 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1O ZINC000868397348 688001869 /nfs/dbraw/zinc/00/18/69/688001869.db2.gz SBEPHIBJOJPEBP-YWPYICTPSA-N 1 0 303.406 2.235 20 10 DECDRO Cc1cnc(F)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000870932666 688689693 /nfs/dbraw/zinc/68/96/93/688689693.db2.gz HSNHYWLDGLFBTF-OAHLLOKOSA-N 1 0 316.380 2.025 20 10 DECDRO C[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccccc1O ZINC000870987684 688704546 /nfs/dbraw/zinc/70/45/46/688704546.db2.gz AGBMXIPMMSFPIF-LLVKDONJSA-N 1 0 315.373 2.338 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000872142009 688934431 /nfs/dbraw/zinc/93/44/31/688934431.db2.gz GOVRSHSHPDUVOU-ZTFGCOKTSA-N 1 0 304.434 2.477 20 10 DECDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000872198745 688949504 /nfs/dbraw/zinc/94/95/04/688949504.db2.gz ZNOAQDCLGPINPH-RTBURBONSA-N 1 0 318.461 2.288 20 10 DECDRO COc1c([O-])c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000872254247 688965378 /nfs/dbraw/zinc/96/53/78/688965378.db2.gz XOABALVISGHYMW-LBPRGKRZSA-N 1 0 323.393 2.177 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1F ZINC000873048075 689148242 /nfs/dbraw/zinc/14/82/42/689148242.db2.gz OJRBXOBXSSXGTJ-AWEZNQCLSA-N 1 0 307.413 2.430 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1C ZINC000873051055 689148580 /nfs/dbraw/zinc/14/85/80/689148580.db2.gz ARPMZMODATZJCB-QGZVFWFLSA-N 1 0 305.466 2.119 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000873053698 689149092 /nfs/dbraw/zinc/14/90/92/689149092.db2.gz GEDFOUMNVGGXMA-OAHLLOKOSA-N 1 0 311.447 2.451 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1Cn1cccn1 ZINC000873113377 689160428 /nfs/dbraw/zinc/16/04/28/689160428.db2.gz ZRPZHUVGTXFJIP-KBPBESRZSA-N 1 0 303.406 2.453 20 10 DECDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1Cn1cccn1 ZINC000873147100 689170309 /nfs/dbraw/zinc/17/03/09/689170309.db2.gz XLCADWPLZOXNEF-WOVMCDHWSA-N 1 0 315.417 2.455 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCC[C@@H]2CCOC2=O)cc1F ZINC000873159348 689173796 /nfs/dbraw/zinc/17/37/96/689173796.db2.gz LAZCCWPSHCXZBY-LLVKDONJSA-N 1 0 312.360 2.464 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873269053 689198847 /nfs/dbraw/zinc/19/88/47/689198847.db2.gz KKCBLBPZSRUWEQ-VXGBXAGGSA-N 1 0 306.406 2.218 20 10 DECDRO C[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C[N@@H+]1C1CC1 ZINC000875359244 689612377 /nfs/dbraw/zinc/61/23/77/689612377.db2.gz NNKHLADVILANOJ-AAEUAGOBSA-N 1 0 301.390 2.043 20 10 DECDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000875706843 689679496 /nfs/dbraw/zinc/67/94/96/689679496.db2.gz LFSHNAUKNDWMQA-HOTGVXAUSA-N 1 0 315.417 2.434 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875710758 689679951 /nfs/dbraw/zinc/67/99/51/689679951.db2.gz QNIYHIPCQCCCAD-ZDUSSCGKSA-N 1 0 303.406 2.290 20 10 DECDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876597736 689870578 /nfs/dbraw/zinc/87/05/78/689870578.db2.gz QWDXIVUFENSONJ-CABCVRRESA-N 1 0 304.434 2.257 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@@]3(OC)CCOC3)CC2)cc1 ZINC000876631506 689882291 /nfs/dbraw/zinc/88/22/91/689882291.db2.gz SVPPCCUZOOCWKV-SFHVURJKSA-N 1 0 320.433 2.013 20 10 DECDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876695727 689905688 /nfs/dbraw/zinc/90/56/88/689905688.db2.gz GGOYMDAJYAYBBJ-UHFFFAOYSA-N 1 0 320.477 2.488 20 10 DECDRO C[C@@H]1OCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000876739706 689923217 /nfs/dbraw/zinc/92/32/17/689923217.db2.gz PXCANSDVNPNLEL-GJZGRUSLSA-N 1 0 304.434 2.257 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@]34CCC[C@H]3[NH2+]CC4)ccc21 ZINC000876742037 689923686 /nfs/dbraw/zinc/92/36/86/689923686.db2.gz XYANJGYOAXZGFN-MJGOQNOKSA-N 1 0 313.445 2.217 20 10 DECDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876749833 689925870 /nfs/dbraw/zinc/92/58/70/689925870.db2.gz NABQMBKMFKIMIJ-QAPCUYQASA-N 1 0 318.461 2.383 20 10 DECDRO CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000876779012 689935201 /nfs/dbraw/zinc/93/52/01/689935201.db2.gz UOWHDYMSFUKQTK-LVDDQXARSA-N 1 0 303.381 2.164 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876885135 689964528 /nfs/dbraw/zinc/96/45/28/689964528.db2.gz LBPBICXIICHJAS-MJGOQNOKSA-N 1 0 314.429 2.419 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000876966430 689984678 /nfs/dbraw/zinc/98/46/78/689984678.db2.gz VEGNRCKNVPKZMN-LJQANCHMSA-N 1 0 318.461 2.410 20 10 DECDRO CCc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[nH]n1 ZINC000877034068 690003627 /nfs/dbraw/zinc/00/36/27/690003627.db2.gz XGSAQCZRCCCCLW-UHFFFAOYSA-N 1 0 314.433 2.223 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c(O)c1 ZINC000877140600 690027620 /nfs/dbraw/zinc/02/76/20/690027620.db2.gz HHXDYUSQTKXMKN-HNNXBMFYSA-N 1 0 316.376 2.274 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)CN1C ZINC000877405230 690104151 /nfs/dbraw/zinc/10/41/51/690104151.db2.gz FMWMGFAVUHDZSA-CVEARBPZSA-N 1 0 317.477 2.172 20 10 DECDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1C ZINC000877408170 690105180 /nfs/dbraw/zinc/10/51/80/690105180.db2.gz CQDZITUJDCYJJN-CVEARBPZSA-N 1 0 317.477 2.172 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(O)c1 ZINC000877465576 690121621 /nfs/dbraw/zinc/12/16/21/690121621.db2.gz BJFIDCZNMXPRQU-UHFFFAOYSA-N 1 0 311.428 2.455 20 10 DECDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877480738 690125984 /nfs/dbraw/zinc/12/59/84/690125984.db2.gz GSKHXHCZYDSSQX-KRWDZBQOSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000877559999 690152080 /nfs/dbraw/zinc/15/20/80/690152080.db2.gz CNWSWHJOOJECHR-GOEBONIOSA-N 1 0 310.397 2.482 20 10 DECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000877691503 690192908 /nfs/dbraw/zinc/19/29/08/690192908.db2.gz PAIYQNWTHKRQFE-OAHLLOKOSA-N 1 0 310.350 2.046 20 10 DECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C2 ZINC000877724794 690205145 /nfs/dbraw/zinc/20/51/45/690205145.db2.gz WNIMPBGVEPRLMF-IGCXYCKISA-N 1 0 306.381 2.323 20 10 DECDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743272 690212186 /nfs/dbraw/zinc/21/21/86/690212186.db2.gz JHYIFSZVLZIWEM-PKOBYXMFSA-N 1 0 315.461 2.049 20 10 DECDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000877765603 690219389 /nfs/dbraw/zinc/21/93/89/690219389.db2.gz LEZTUQZZJRLUHU-HDICACEKSA-N 1 0 320.477 2.346 20 10 DECDRO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1ccccc1O ZINC000879650540 690699018 /nfs/dbraw/zinc/69/90/18/690699018.db2.gz GQFVRWJQDCGFSX-JTQLQIEISA-N 1 0 303.362 2.451 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000881848952 691173433 /nfs/dbraw/zinc/17/34/33/691173433.db2.gz GSTMOCRMDHIKFJ-KRWDZBQOSA-N 1 0 313.445 2.411 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000881850632 691173763 /nfs/dbraw/zinc/17/37/63/691173763.db2.gz AGAIJFGLEVWJRR-PIIMJCKOSA-N 1 0 313.445 2.101 20 10 DECDRO CC(C)[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850918 691173986 /nfs/dbraw/zinc/17/39/86/691173986.db2.gz KEMRJHUTISGMFE-OAHLLOKOSA-N 1 0 303.450 2.347 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncncc3Cl)cc2)CC1 ZINC000882880196 691377750 /nfs/dbraw/zinc/37/77/50/691377750.db2.gz GLEACQJFOLODNL-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC000883283945 691471371 /nfs/dbraw/zinc/47/13/71/691471371.db2.gz ZQJIQTLECBRSMJ-AEFFLSMTSA-N 1 0 303.450 2.096 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886257847 692037149 /nfs/dbraw/zinc/03/71/49/692037149.db2.gz NMDBHVRKXINKIJ-XGWQRUHWSA-N 1 0 306.450 2.287 20 10 DECDRO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC000886258101 692037211 /nfs/dbraw/zinc/03/72/11/692037211.db2.gz VLVAVTBFTUWOFV-GGPHIMKMSA-N 1 0 318.461 2.431 20 10 DECDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886537144 692104216 /nfs/dbraw/zinc/10/42/16/692104216.db2.gz UXPUYZUWLOQZBT-ZDUSSCGKSA-N 1 0 309.429 2.208 20 10 DECDRO CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862457 692319667 /nfs/dbraw/zinc/31/96/67/692319667.db2.gz KIJNCMVGJIEGEG-MRXNPFEDSA-N 1 0 317.393 2.453 20 10 DECDRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000924382627 693129828 /nfs/dbraw/zinc/12/98/28/693129828.db2.gz RAMNAEHOVJTSJC-UHFFFAOYSA-N 1 0 318.417 2.497 20 10 DECDRO CCON1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000924750513 693180676 /nfs/dbraw/zinc/18/06/76/693180676.db2.gz FOQPYZZSACJBNA-UHFFFAOYSA-N 1 0 319.449 2.029 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnnn1C ZINC000924796376 693186941 /nfs/dbraw/zinc/18/69/41/693186941.db2.gz VJJZHWMMPZJVNS-KBPBESRZSA-N 1 0 315.421 2.064 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cnn(C)n3)CC2)cc1 ZINC000924908698 693200505 /nfs/dbraw/zinc/20/05/05/693200505.db2.gz YCXSXMGRURVKIC-CYBMUJFWSA-N 1 0 315.421 2.143 20 10 DECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO[C@H]1C ZINC000926724816 693500249 /nfs/dbraw/zinc/50/02/49/693500249.db2.gz NGFJCCPJZBPXBE-DEYYWGMASA-N 1 0 304.434 2.161 20 10 DECDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c(O)c1OC ZINC001333737879 1150085169 /nfs/dbraw/zinc/08/51/69/1150085169.db2.gz RNKBNRRQMGOJDF-WMLDXEAASA-N 1 0 309.406 2.440 20 10 DECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc(N)cc1 ZINC001335576484 1150461308 /nfs/dbraw/zinc/46/13/08/1150461308.db2.gz MCHWSCPMDCLQID-AWEZNQCLSA-N 1 0 304.438 2.188 20 10 DECDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001343496106 1150746479 /nfs/dbraw/zinc/74/64/79/1150746479.db2.gz VVHLUJAOYYDZKP-INIZCTEOSA-N 1 0 313.401 2.374 20 10 DECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC001346207589 1150951585 /nfs/dbraw/zinc/95/15/85/1150951585.db2.gz LCJVIMSEBKBZAB-CHWSQXEVSA-N 1 0 316.405 2.064 20 10 DECDRO C[C@@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)[S@@](C)=O ZINC001348090590 1151119090 /nfs/dbraw/zinc/11/90/90/1151119090.db2.gz ZOKKICZXPDZDEM-WVDJIFEKSA-N 1 0 304.406 2.278 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001353074447 1151808209 /nfs/dbraw/zinc/80/82/09/1151808209.db2.gz XJMRJNMHHBSQJL-INIZCTEOSA-N 1 0 301.434 2.209 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001353494589 1151834121 /nfs/dbraw/zinc/83/41/21/1151834121.db2.gz HNXUUPISEUPNCL-USXIJHARSA-N 1 0 301.434 2.290 20 10 DECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001353540423 1151837090 /nfs/dbraw/zinc/83/70/90/1151837090.db2.gz ULQRBIKAUQRODE-XJKSGUPXSA-N 1 0 302.422 2.037 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001357351189 1152291802 /nfs/dbraw/zinc/29/18/02/1152291802.db2.gz OHGXTSPVLJOGEJ-IJEWVQPXSA-N 1 0 318.465 2.440 20 10 DECDRO C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001168448348 782427569 /nfs/dbraw/zinc/42/75/69/782427569.db2.gz KTYGDWRZWVPHDN-PIGZYNQJSA-N 1 0 305.349 2.491 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001140098915 776792985 /nfs/dbraw/zinc/79/29/85/776792985.db2.gz SCQNJTIQULORLH-RNCFNFMXSA-N 1 0 300.196 2.357 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ncc4[nH]ccc4n3)cc2)CC1 ZINC001167423447 777016738 /nfs/dbraw/zinc/01/67/38/777016738.db2.gz ZTUSFRHHBIALCI-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3cc4nccc-4[n-][nH+]3)cc2)CC1 ZINC001167431025 777025564 /nfs/dbraw/zinc/02/55/64/777025564.db2.gz BVFKZSUVFKTLDB-UHFFFAOYSA-N 1 0 322.416 2.322 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(F)ccc3C2)cc1O ZINC001168399139 781792964 /nfs/dbraw/zinc/79/29/64/781792964.db2.gz XQRWSYPMVBREKV-YJBOKZPZSA-N 1 0 317.360 2.417 20 10 DECDRO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]12 ZINC001144503985 790936141 /nfs/dbraw/zinc/93/61/41/790936141.db2.gz HCLTVUSXPQCNRF-KBPBESRZSA-N 1 0 311.337 2.215 20 10 DECDRO CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994652 784295330 /nfs/dbraw/zinc/29/53/30/784295330.db2.gz QYJPGOCCSODZMW-AWEZNQCLSA-N 1 0 317.393 2.404 20 10 DECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152202 785064494 /nfs/dbraw/zinc/06/44/94/785064494.db2.gz AKUHLOKDRLMEKK-ZSHCYNCHSA-N 1 0 302.418 2.471 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)OCCO ZINC000691489949 786083630 /nfs/dbraw/zinc/08/36/30/786083630.db2.gz UKHGKKWKASWSJD-UHFFFAOYSA-N 1 0 318.211 2.032 20 10 DECDRO COCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133414424 788406826 /nfs/dbraw/zinc/40/68/26/788406826.db2.gz KVDJWNMNHXCVHW-KBPBESRZSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)Cc2ccco2)cc1C ZINC001135589884 789413115 /nfs/dbraw/zinc/41/31/15/789413115.db2.gz DRRVIVMTCFNQLA-UHFFFAOYSA-N 1 0 302.374 2.045 20 10 DECDRO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCCC[C@@H]1C ZINC001136243535 789671730 /nfs/dbraw/zinc/67/17/30/789671730.db2.gz GDHXZHGRCSXEPR-QWHCGFSZSA-N 1 0 306.406 2.019 20 10 DECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173477 793477558 /nfs/dbraw/zinc/47/75/58/793477558.db2.gz HMIVRQOYTCOZQI-ZIAGYGMSSA-N 1 0 320.364 2.068 20 10 DECDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117137716 795027662 /nfs/dbraw/zinc/02/76/62/795027662.db2.gz MPVMLAIDJBXFDS-CJNGLKHVSA-N 1 0 323.481 2.419 20 10 DECDRO COc1ccc(N(C)CCN(C)Cc2cncc(OC)n2)cc1 ZINC001118827365 795231384 /nfs/dbraw/zinc/23/13/84/795231384.db2.gz TWPGRYAAQPSFPS-UHFFFAOYSA-N 1 0 316.405 2.062 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001120511049 795474945 /nfs/dbraw/zinc/47/49/45/795474945.db2.gz CVPDJKNHOMAAFF-UHFFFAOYSA-N 1 0 316.449 2.130 20 10 DECDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC001182464381 795688244 /nfs/dbraw/zinc/68/82/44/795688244.db2.gz ZOPXVBVTAKQPDK-GFCCVEGCSA-N 1 0 313.344 2.488 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC23CCC3)cc1F ZINC001121996577 795715026 /nfs/dbraw/zinc/71/50/26/795715026.db2.gz KXTFAMVGLRASTD-CQSZACIVSA-N 1 0 319.424 2.288 20 10 DECDRO Cc1ncsc1/C=C/C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001122095581 795725309 /nfs/dbraw/zinc/72/53/09/795725309.db2.gz HDOGFEXPLMBDHN-SNAWJCMRSA-N 1 0 315.398 2.349 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c(O)c1O ZINC001123943386 796006111 /nfs/dbraw/zinc/00/61/11/796006111.db2.gz MJFFEAIDEUEIIC-ZDUSSCGKSA-N 1 0 318.417 2.495 20 10 DECDRO Cc1c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c2ccccc2n1C ZINC001138253817 796188391 /nfs/dbraw/zinc/18/83/91/796188391.db2.gz HSWAITLHWRNWGC-MDASCCDHSA-N 1 0 314.429 2.458 20 10 DECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337983 796198758 /nfs/dbraw/zinc/19/87/58/796198758.db2.gz ILBCSHXPPAINQB-BBRMVZONSA-N 1 0 316.445 2.294 20 10 DECDRO CC1(O)CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337556 796198768 /nfs/dbraw/zinc/19/87/68/796198768.db2.gz AASCQLFVTVEZFQ-UHFFFAOYSA-N 1 0 316.445 2.438 20 10 DECDRO OC[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337935 796199076 /nfs/dbraw/zinc/19/90/76/796199076.db2.gz GXGUXVHGNIHRKA-OAHLLOKOSA-N 1 0 302.418 2.048 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(C[C@H](O)CO4)CC3)ccc21 ZINC001138354679 796204031 /nfs/dbraw/zinc/20/40/31/796204031.db2.gz PRSIPYVFPMPIPG-KRWDZBQOSA-N 1 0 316.445 2.185 20 10 DECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359575 796205216 /nfs/dbraw/zinc/20/52/16/796205216.db2.gz USNYZIGEYCZIIC-GOSISDBHSA-N 1 0 302.418 2.454 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC1=O ZINC001138496056 796226894 /nfs/dbraw/zinc/22/68/94/796226894.db2.gz OFVSKXUXICTQKH-HNNXBMFYSA-N 1 0 302.418 2.324 20 10 DECDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(OC)cc2O)CC1 ZINC001203629381 796331495 /nfs/dbraw/zinc/33/14/95/796331495.db2.gz ZEBLILNLPDULKE-UHFFFAOYSA-N 1 0 322.405 2.454 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1O ZINC001139404594 796371404 /nfs/dbraw/zinc/37/14/04/796371404.db2.gz PXIGVNTZTMSQES-QFBILLFUSA-N 1 0 317.477 2.031 20 10 DECDRO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)ccc1N(C)C ZINC001139672467 796407747 /nfs/dbraw/zinc/40/77/47/796407747.db2.gz XZWAKIPBTCMFOP-MRXNPFEDSA-N 1 0 303.450 2.361 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001140060437 796472110 /nfs/dbraw/zinc/47/21/10/796472110.db2.gz VXOGMYMHOCBPIC-UHFFFAOYSA-N 1 0 303.337 2.365 20 10 DECDRO CC[N@H+](CCN(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281724 796500096 /nfs/dbraw/zinc/50/00/96/796500096.db2.gz MDEUYSYJJBXUMD-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2ncn(C)c21 ZINC001140620810 796546508 /nfs/dbraw/zinc/54/65/08/796546508.db2.gz BYLVHEKQEGKXAD-AWEZNQCLSA-N 1 0 301.390 2.180 20 10 DECDRO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140621447 796547009 /nfs/dbraw/zinc/54/70/09/796547009.db2.gz KCAOIZLAUUICNI-AWEZNQCLSA-N 1 0 301.390 2.176 20 10 DECDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140744995 796566545 /nfs/dbraw/zinc/56/65/45/796566545.db2.gz RWVPLSFDUFRZMV-WMZOPIPTSA-N 1 0 321.417 2.424 20 10 DECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC001140746287 796566802 /nfs/dbraw/zinc/56/68/02/796566802.db2.gz XRXHQIXWKLFUTD-OAHLLOKOSA-N 1 0 300.358 2.455 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC001140850245 796582957 /nfs/dbraw/zinc/58/29/57/796582957.db2.gz HVLKFKBCCDNMRO-KRWDZBQOSA-N 1 0 321.465 2.001 20 10 DECDRO Cc1ccc(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001140949485 796605685 /nfs/dbraw/zinc/60/56/85/796605685.db2.gz BTYOMIHTQIVWIB-UHFFFAOYSA-N 1 0 320.433 2.160 20 10 DECDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140953523 796606204 /nfs/dbraw/zinc/60/62/04/796606204.db2.gz BBQHGQNYVWDLFC-MRXNPFEDSA-N 1 0 320.433 2.160 20 10 DECDRO Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(=O)C2)c(O)c1 ZINC001140950753 796606324 /nfs/dbraw/zinc/60/63/24/796606324.db2.gz GUTZSFDILQTXEV-UHFFFAOYSA-N 1 0 320.389 2.280 20 10 DECDRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001140949909 796606332 /nfs/dbraw/zinc/60/63/32/796606332.db2.gz JTKDTSVHJWVABX-NVXWUHKLSA-N 1 0 324.428 2.449 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(OC)c1 ZINC001141026251 796620681 /nfs/dbraw/zinc/62/06/81/796620681.db2.gz JGJDDEOYCWDUBM-PXAZEXFGSA-N 1 0 307.390 2.410 20 10 DECDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c(OC)c1 ZINC001141028658 796620711 /nfs/dbraw/zinc/62/07/11/796620711.db2.gz YXGRJURMHNFFKG-CQSZACIVSA-N 1 0 320.433 2.470 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(OC)c1 ZINC001141031801 796621323 /nfs/dbraw/zinc/62/13/23/796621323.db2.gz MCMFXHCPBVPICL-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(OC)c1 ZINC001141032555 796622250 /nfs/dbraw/zinc/62/22/50/796622250.db2.gz GKKCNGNCDWSHRH-YPMHNXCESA-N 1 0 305.374 2.210 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032195 796622483 /nfs/dbraw/zinc/62/24/83/796622483.db2.gz VFSSBLJRCKNJNW-YVEFUNNKSA-N 1 0 309.406 2.392 20 10 DECDRO O[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1F ZINC001141074863 796631752 /nfs/dbraw/zinc/63/17/52/796631752.db2.gz VNCNIZGIWFPCKW-IAGOWNOFSA-N 1 0 304.409 2.290 20 10 DECDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156060 796641376 /nfs/dbraw/zinc/64/13/76/796641376.db2.gz PCFKIPASYTWWNX-CYBMUJFWSA-N 1 0 306.406 2.178 20 10 DECDRO CCC[N@H+](Cc1cc(O)ccc1O)C1CCN(C(C)=O)CC1 ZINC001141160991 796642592 /nfs/dbraw/zinc/64/25/92/796642592.db2.gz MGNKOZNOIFXIKN-UHFFFAOYSA-N 1 0 306.406 2.321 20 10 DECDRO CCc1noc([C@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)n1 ZINC001141161199 796642852 /nfs/dbraw/zinc/64/28/52/796642852.db2.gz OPXHWXXVECSTCK-NSHDSACASA-N 1 0 303.362 2.423 20 10 DECDRO COC(=O)c1cccc2c1CN(Cc1cc(O)ccc1O)CC2 ZINC001141162060 796643231 /nfs/dbraw/zinc/64/32/31/796643231.db2.gz KRBGNYZNJLCVLP-UHFFFAOYSA-N 1 0 313.353 2.443 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(c3nnc(C)o3)CC2)c1 ZINC001203680450 796654345 /nfs/dbraw/zinc/65/43/45/796654345.db2.gz YLQGXNVCBBKESH-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCCO1 ZINC001143117236 796803167 /nfs/dbraw/zinc/80/31/67/796803167.db2.gz ZAYLWYBYROOVAH-HNNXBMFYSA-N 1 0 321.417 2.454 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001143112538 796803263 /nfs/dbraw/zinc/80/32/63/796803263.db2.gz VYCMCZOMSZHCOW-CQSZACIVSA-N 1 0 302.418 2.496 20 10 DECDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1=CC[N@H+](C)CC1 ZINC001154042255 797450318 /nfs/dbraw/zinc/45/03/18/797450318.db2.gz DVZVGELLIDIGIY-LLVKDONJSA-N 1 0 315.377 2.229 20 10 DECDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878638 798201639 /nfs/dbraw/zinc/20/16/39/798201639.db2.gz JCOCKJOPFWISEV-SFHVURJKSA-N 1 0 318.417 2.465 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157432292 798205266 /nfs/dbraw/zinc/20/52/66/798205266.db2.gz CVWHHRIEMVILQY-CFAJVAMVSA-N 1 0 314.429 2.214 20 10 DECDRO [NH3+]C[C@@]1(F)CCCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001157763725 798273295 /nfs/dbraw/zinc/27/32/95/798273295.db2.gz DOXMWNGOPCLEIL-CQSZACIVSA-N 1 0 316.760 2.044 20 10 DECDRO COC(=O)N1CC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC001202074339 798827955 /nfs/dbraw/zinc/82/79/55/798827955.db2.gz MDASEFTUOYJWCL-UHFFFAOYSA-N 1 0 303.406 2.217 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000691402832 799511808 /nfs/dbraw/zinc/51/18/08/799511808.db2.gz MBBSCOOCOIAEJH-CYBMUJFWSA-N 1 0 300.196 2.405 20 10 DECDRO CCOC(=O)c1cc(N(CCC[NH3+])C(C)C)cc2c1OCC2 ZINC001164128972 799517791 /nfs/dbraw/zinc/51/77/91/799517791.db2.gz RHWRBNKWQBTEHE-UHFFFAOYSA-N 1 0 306.406 2.362 20 10 DECDRO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4ccccc4O)C[C@H]3O2)n1 ZINC001203551910 800077862 /nfs/dbraw/zinc/07/78/62/800077862.db2.gz SJKGWBVHPTVRKP-APHBMKBZSA-N 1 0 315.373 2.436 20 10 DECDRO CCC1=NC2(CC[NH+](Cc3ccccc3O)CC2)C(=O)N1C ZINC001203561379 800080445 /nfs/dbraw/zinc/08/04/45/800080445.db2.gz TWSZCFRLIKEISY-UHFFFAOYSA-N 1 0 301.390 2.007 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c1 ZINC001203683786 800106425 /nfs/dbraw/zinc/10/64/25/800106425.db2.gz CQXGRUPEVYFXFM-HNNXBMFYSA-N 1 0 315.373 2.153 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001203931565 800147681 /nfs/dbraw/zinc/14/76/81/800147681.db2.gz JLLJOJFZDDCBBC-SFHVURJKSA-N 1 0 301.434 2.387 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc1 ZINC001203938876 800149251 /nfs/dbraw/zinc/14/92/51/800149251.db2.gz JLKSIIBZHBDHCU-WBVHZDCISA-N 1 0 301.434 2.053 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c2ccccc21 ZINC001204232343 800192090 /nfs/dbraw/zinc/19/20/90/800192090.db2.gz ARSDPOJOFOINTA-KXBFYZLASA-N 1 0 314.429 2.081 20 10 DECDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204274266 800198356 /nfs/dbraw/zinc/19/83/56/800198356.db2.gz LMEVGPVLICCDRW-IAGOWNOFSA-N 1 0 307.390 2.115 20 10 DECDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204277752 800199244 /nfs/dbraw/zinc/19/92/44/800199244.db2.gz KOXRSTOPJUYASJ-UHFFFAOYSA-N 1 0 318.417 2.321 20 10 DECDRO CCOC(=O)c1c(CN2CC(C)(C[NH3+])C2)c2ccccc2n1C ZINC001206729420 800581366 /nfs/dbraw/zinc/58/13/66/800581366.db2.gz GHBYRLJWKIGJPM-UHFFFAOYSA-N 1 0 315.417 2.136 20 10 DECDRO COCCOc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001207894118 800858379 /nfs/dbraw/zinc/85/83/79/800858379.db2.gz AIHRBHCNPQDQLF-GOSISDBHSA-N 1 0 320.433 2.013 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001209517044 801205793 /nfs/dbraw/zinc/20/57/93/801205793.db2.gz XAQMLSZEZCIJBD-HKUYNNGSSA-N 1 0 314.429 2.269 20 10 DECDRO COc1cccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c1O ZINC001210312491 801374845 /nfs/dbraw/zinc/37/48/45/801374845.db2.gz YDSQUZXIJHJXPE-QGZVFWFLSA-N 1 0 312.413 2.417 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231845735 801735244 /nfs/dbraw/zinc/73/52/44/801735244.db2.gz RLUQHQDZBHBRFG-AWEZNQCLSA-N 1 0 319.401 2.353 20 10 DECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868463 801742148 /nfs/dbraw/zinc/74/21/48/801742148.db2.gz BVXITPADAHDOBT-CZUORRHYSA-N 1 0 311.809 2.449 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1O ZINC001232195697 801815147 /nfs/dbraw/zinc/81/51/47/801815147.db2.gz XWGAVWYCGAYUHQ-CXAGYDPISA-N 1 0 324.852 2.379 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC001232203289 801816314 /nfs/dbraw/zinc/81/63/14/801816314.db2.gz SHODONNNOIGHLA-HNNXBMFYSA-N 1 0 323.868 2.313 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)cc1Cl ZINC001232270580 801835749 /nfs/dbraw/zinc/83/57/49/801835749.db2.gz GARRVYWEWJQDDI-GFCCVEGCSA-N 1 0 324.808 2.251 20 10 DECDRO COc1ccc(N2CC[NH+](Cc3ccc(N)nc3C)CC2)cc1 ZINC001232336591 801848629 /nfs/dbraw/zinc/84/86/29/801848629.db2.gz DSBFDSYYIHOPSV-UHFFFAOYSA-N 1 0 312.417 2.303 20 10 DECDRO COC[C@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232403185 801870379 /nfs/dbraw/zinc/87/03/79/801870379.db2.gz WIZQFGXIUPMCOK-ZDUSSCGKSA-N 1 0 316.401 2.433 20 10 DECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840570 801969803 /nfs/dbraw/zinc/96/98/03/801969803.db2.gz ZTCNAAKRLKEONO-CYBMUJFWSA-N 1 0 306.406 2.233 20 10 DECDRO COc1ccc(CC[N@H+](C)Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013728 802002930 /nfs/dbraw/zinc/00/29/30/802002930.db2.gz SQBSODJDVSOWKN-UHFFFAOYSA-N 1 0 303.358 2.487 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1O ZINC001233290916 802064476 /nfs/dbraw/zinc/06/44/76/802064476.db2.gz CVLJLWDHSFNXOS-CYBMUJFWSA-N 1 0 324.808 2.251 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001233283968 802064519 /nfs/dbraw/zinc/06/45/19/802064519.db2.gz CHTMUNDWFBLPFR-SFHVURJKSA-N 1 0 302.418 2.402 20 10 DECDRO N[C@@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCC[NH2+]C1 ZINC001217727429 802107032 /nfs/dbraw/zinc/10/70/32/802107032.db2.gz GHWZQAAXLZJIMZ-KRWDZBQOSA-N 1 0 309.373 2.065 20 10 DECDRO CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)CC1=O ZINC001233454561 802121614 /nfs/dbraw/zinc/12/16/14/802121614.db2.gz ZLYSTRIOLOUMCZ-UHFFFAOYSA-N 1 0 302.296 2.075 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC[NH2+]C3)ccc(O)c21 ZINC001217961898 802124985 /nfs/dbraw/zinc/12/49/85/802124985.db2.gz LHCCODSWKOQRKW-LLVKDONJSA-N 1 0 323.348 2.298 20 10 DECDRO CCCC[NH+]1CCC(N(C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233487827 802129452 /nfs/dbraw/zinc/12/94/52/802129452.db2.gz UBNHDCNJYYWLFP-UHFFFAOYSA-N 1 0 308.422 2.500 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC[NH2+]C3)ccc(O)c21 ZINC001218283915 802163448 /nfs/dbraw/zinc/16/34/48/802163448.db2.gz LHCCODSWKOQRKW-NSHDSACASA-N 1 0 323.348 2.298 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C=CC[NH2+]C3)cccc21 ZINC001218332602 802168690 /nfs/dbraw/zinc/16/86/90/802168690.db2.gz YJDOADSKJHGTIZ-LBPRGKRZSA-N 1 0 305.333 2.369 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727253 802190947 /nfs/dbraw/zinc/19/09/47/802190947.db2.gz KXKVFHDRRNPMNF-SNVBAGLBSA-N 1 0 305.296 2.495 20 10 DECDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC001219640556 802357720 /nfs/dbraw/zinc/35/77/20/802357720.db2.gz ABFIUZQUBDRZTO-FPTQRPOBSA-N 1 0 301.434 2.128 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC001334403509 1150298614 /nfs/dbraw/zinc/29/86/14/1150298614.db2.gz WJOPUXBHZDVTDZ-OAHLLOKOSA-N 1 0 321.417 2.073 20 10 DECDRO C[C@@H](NC(=O)N1CCC[C@@]12CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC001336082516 1150619066 /nfs/dbraw/zinc/61/90/66/1150619066.db2.gz KETZHIQTMDVKJR-KDOFPFPSSA-N 1 0 316.449 2.351 20 10 DECDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001345159964 1150869517 /nfs/dbraw/zinc/86/95/17/1150869517.db2.gz PGLCBNOANKPPTK-CALCHBBNSA-N 1 0 316.493 2.259 20 10 DECDRO CCC[N@H+](Cc1ccccc1O)Cc1ccncc1-c1nn[nH]n1 ZINC001604216060 1070281723 /nfs/dbraw/zinc/28/17/23/1070281723.db2.gz WNEYTJKIFRMSJD-UHFFFAOYSA-N 1 0 324.388 2.380 20 10 DECDRO CCN(CC)c1ccc(CNc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001604289540 1070313914 /nfs/dbraw/zinc/31/39/14/1070313914.db2.gz ULEZKOXHNFLETJ-UHFFFAOYSA-N 1 0 323.404 2.142 20 10 DECDRO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC001328761077 1148832489 /nfs/dbraw/zinc/83/24/89/1148832489.db2.gz BIYIAVPSIDBQFE-UHFFFAOYSA-N 1 0 314.179 2.340 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001605875495 1070958189 /nfs/dbraw/zinc/95/81/89/1070958189.db2.gz HBMDHHAEKGZDLE-INIZCTEOSA-N 1 0 321.384 2.138 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCc2cccc(C(N)=O)c2)cc1F ZINC001461173272 1058601384 /nfs/dbraw/zinc/60/13/84/1058601384.db2.gz LRHFOVUSVYOZSY-UHFFFAOYSA-N 1 0 315.392 2.323 20 10 DECDRO CN(Cc1cccnc1N)c1ccc(OCC[NH+](C)C)cc1 ZINC001462050724 1058755620 /nfs/dbraw/zinc/75/56/20/1058755620.db2.gz IEKLKTGLQMFCAP-UHFFFAOYSA-N 1 0 300.406 2.241 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001463721078 1059014926 /nfs/dbraw/zinc/01/49/26/1059014926.db2.gz CIIFRZGWFHVNHV-DOTOQJQBSA-N 1 0 303.450 2.489 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001464233954 1059098280 /nfs/dbraw/zinc/09/82/80/1059098280.db2.gz KMJUZKAMCLOEAV-KBPBESRZSA-N 1 0 315.377 2.206 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001464926752 1059229487 /nfs/dbraw/zinc/22/94/87/1059229487.db2.gz OAZKYORPKVMSGB-UHFFFAOYSA-N 1 0 306.406 2.021 20 10 DECDRO CC[N@H+](C)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001502403443 1060110173 /nfs/dbraw/zinc/11/01/73/1060110173.db2.gz SJQHOHHTNCZTDU-UHFFFAOYSA-N 1 0 305.382 2.263 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]CC3CCOCC3)cc2F)CC1 ZINC001473972463 1060783379 /nfs/dbraw/zinc/78/33/79/1060783379.db2.gz YBARANSTCPTLJM-UHFFFAOYSA-N 1 0 321.440 2.094 20 10 DECDRO COc1cc(C[NH2+][C@@H](CO)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC001474093818 1060814959 /nfs/dbraw/zinc/81/49/59/1060814959.db2.gz DXHFXFNOTXWPBR-LRDDRELGSA-N 1 0 323.433 2.185 20 10 DECDRO COc1ccc(C[NH2+]CC(C)(C)[C@H](C)O)cc1Cn1cccn1 ZINC001474287850 1060843668 /nfs/dbraw/zinc/84/36/68/1060843668.db2.gz CLBZOJQBQGCASV-AWEZNQCLSA-N 1 0 317.433 2.437 20 10 DECDRO CC(C)[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568715427 1065070434 /nfs/dbraw/zinc/07/04/34/1065070434.db2.gz QSOFOCRJLSKKDU-NSHDSACASA-N 1 0 305.382 2.355 20 10 DECDRO C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1O ZINC001620504835 1078164213 /nfs/dbraw/zinc/16/42/13/1078164213.db2.gz CGYDXUSYFFCAER-ZDUSSCGKSA-N 1 0 309.369 2.453 20 10 DECDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001624626532 1078226583 /nfs/dbraw/zinc/22/65/83/1078226583.db2.gz SPGDKVPYZUTAKX-INIZCTEOSA-N 1 0 301.434 2.197 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628126412 1078290616 /nfs/dbraw/zinc/29/06/16/1078290616.db2.gz JALHSYFBVYMVFF-UONOGXRCSA-N 1 0 317.393 2.452 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001630218285 1078335229 /nfs/dbraw/zinc/33/52/29/1078335229.db2.gz WZMWHLZSHUJTLR-CQSZACIVSA-N 1 0 320.433 2.411 20 10 DECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(Br)cn1 ZINC001577627267 1066889435 /nfs/dbraw/zinc/88/94/35/1066889435.db2.gz ANTSLMVIKMYEBO-LLVKDONJSA-N 1 0 310.195 2.245 20 10 DECDRO CCOC(=O)CN(CC[NH2+]C(C)(C)C)Cc1ccccc1O ZINC001577951628 1066958554 /nfs/dbraw/zinc/95/85/54/1066958554.db2.gz WKRFGRIZKRWOHE-UHFFFAOYSA-N 1 0 308.422 2.145 20 10 DECDRO COC(=O)c1ccccc1N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC001578879950 1067189124 /nfs/dbraw/zinc/18/91/24/1067189124.db2.gz FPLACPZFOFJQSU-UHFFFAOYSA-N 1 0 324.380 2.396 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC001579616983 1067387179 /nfs/dbraw/zinc/38/71/79/1067387179.db2.gz JPWNDPSJCDGAKR-HOCLYGCPSA-N 1 0 318.465 2.125 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001580261872 1067546309 /nfs/dbraw/zinc/54/63/09/1067546309.db2.gz MCMAKTLPZWEQCE-AAEUAGOBSA-N 1 0 303.366 2.096 20 10 DECDRO Cc1ccc(C(=O)NCCCCc2cc[nH+]c(N)c2)c(O)c1O ZINC001637967662 1078542233 /nfs/dbraw/zinc/54/22/33/1078542233.db2.gz LJJSJWISWNVCLR-UHFFFAOYSA-N 1 0 315.373 2.136 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)CCCC1 ZINC001638347349 1078559754 /nfs/dbraw/zinc/55/97/54/1078559754.db2.gz GHCICQRLMYDZOF-LBPRGKRZSA-N 1 0 306.406 2.019 20 10 DECDRO O=C(NCc1c(O)cccc1O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001639292513 1078605463 /nfs/dbraw/zinc/60/54/63/1078605463.db2.gz GHGVWNJGMSZBAA-ZDUSSCGKSA-N 1 0 318.417 2.369 20 10 DECDRO COCC[C@@H]([NH3+])C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001573975457 1069138754 /nfs/dbraw/zinc/13/87/54/1069138754.db2.gz LLJKFCHLWDXRMA-QGZVFWFLSA-N 1 0 315.417 2.074 20 10 DECDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001649897362 1079292947 /nfs/dbraw/zinc/29/29/47/1079292947.db2.gz MWIMOADJTPBCJZ-HOTGVXAUSA-N 1 0 302.418 2.358 20 10 DECDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001556122233 1075019238 /nfs/dbraw/zinc/01/92/38/1075019238.db2.gz GOHUPOICAVYJRO-IQCBXXCUSA-N 1 0 304.390 2.100 20 10 DECDRO C[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC001556167086 1075022267 /nfs/dbraw/zinc/02/22/67/1075022267.db2.gz WOZLRUYXYVTCLN-CYBMUJFWSA-N 1 0 306.406 2.021 20 10 DECDRO CCCn1cncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001560291537 1075136283 /nfs/dbraw/zinc/13/62/83/1075136283.db2.gz VHWSVZOVCGLHGX-UHFFFAOYSA-N 1 0 314.433 2.420 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)c(O)c1 ZINC001561021404 1075149961 /nfs/dbraw/zinc/14/99/61/1075149961.db2.gz LCDHUQUVNBPVTL-OAHLLOKOSA-N 1 0 320.433 2.052 20 10 DECDRO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566782865 1075342623 /nfs/dbraw/zinc/34/26/23/1075342623.db2.gz MTEHPIHDMOSHOV-BPUTZDHNSA-N 1 0 320.433 2.165 20 10 DECDRO [NH3+][C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001580405366 1075917246 /nfs/dbraw/zinc/91/72/46/1075917246.db2.gz IRHZKXGEMDRYHU-HNNXBMFYSA-N 1 0 307.353 2.257 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(-c2nn[nH]n2)ccn1 ZINC001589970528 1076540415 /nfs/dbraw/zinc/54/04/15/1076540415.db2.gz OSPFHLILIDDLMV-LLVKDONJSA-N 1 0 322.372 2.047 20 10 DECDRO Cc1cc(N(C)Cc2ccc(N(C)C)cc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001609404123 1077851815 /nfs/dbraw/zinc/85/18/15/1077851815.db2.gz DVWNYEPLFXRCLL-UHFFFAOYSA-N 1 0 323.404 2.273 20 10 DECDRO C[C@H](NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1O ZINC001651190439 1079795026 /nfs/dbraw/zinc/79/50/26/1079795026.db2.gz GMDXFLBFTXPITI-UONOGXRCSA-N 1 0 311.385 2.491 20 10 DECDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC001652015467 1079846760 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COCCN(Cc1c(O)ccc(F)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001236333004 1138353265 /nfs/dbraw/zinc/35/32/65/1138353265.db2.gz VXVBYAMFTJUNGY-NSHDSACASA-N 1 0 316.804 2.385 20 10 DECDRO CCN(CC)c1ccc(CN(CCOC)[C@@H]2CC[NH2+]C2)cc1 ZINC001236333278 1138353329 /nfs/dbraw/zinc/35/33/29/1138353329.db2.gz JZBIAIRSWZEWGI-GOSISDBHSA-N 1 0 305.466 2.343 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)cc1OC ZINC001236749420 1138407667 /nfs/dbraw/zinc/40/76/67/1138407667.db2.gz HJAZCQKJYVWFKT-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1OC ZINC001236750451 1138407791 /nfs/dbraw/zinc/40/77/91/1138407791.db2.gz MULZFPJBDVRULD-INIZCTEOSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)cc1OC ZINC001236750453 1138408142 /nfs/dbraw/zinc/40/81/42/1138408142.db2.gz MULZFPJBDVRULD-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(O)c(CN2CCC([NH+]3CCC3)CC2)cc1OC ZINC001236755709 1138409931 /nfs/dbraw/zinc/40/99/31/1138409931.db2.gz HFVKLDVISOOYIH-UHFFFAOYSA-N 1 0 306.406 2.080 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(Cl)c1 ZINC001236800264 1138431365 /nfs/dbraw/zinc/43/13/65/1138431365.db2.gz XIJQOVGLUAKXLC-STQMWFEESA-N 1 0 303.761 2.349 20 10 DECDRO COc1cc(C)c(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001236816032 1138438901 /nfs/dbraw/zinc/43/89/01/1138438901.db2.gz QDYIUBVPAYKCPS-MRXNPFEDSA-N 1 0 320.433 2.006 20 10 DECDRO C[C@@]1(CO)C[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001236825638 1138439957 /nfs/dbraw/zinc/43/99/57/1138439957.db2.gz AMXXCHVGWBTLTM-MSOLQXFVSA-N 1 0 301.386 2.111 20 10 DECDRO OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236930156 1138460125 /nfs/dbraw/zinc/46/01/25/1138460125.db2.gz XRRNNYGOHYRGJG-UHFFFAOYSA-N 1 0 310.825 2.133 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(O)c1 ZINC001237039802 1138485677 /nfs/dbraw/zinc/48/56/77/1138485677.db2.gz BVEOFLFMXFPWDL-UHFFFAOYSA-N 1 0 318.417 2.426 20 10 DECDRO CCOc1ccc(CN2CC[NH+](CCCCOC)CC2)c(O)c1 ZINC001237048125 1138488686 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COc1cc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(O)c(OC)c1 ZINC001237675293 1138747868 /nfs/dbraw/zinc/74/78/68/1138747868.db2.gz DMNDQVGURXGNKT-UHFFFAOYSA-N 1 0 321.373 2.081 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)c(OC)c1 ZINC001237678544 1138751211 /nfs/dbraw/zinc/75/12/11/1138751211.db2.gz PEIYWMWPVQPUAY-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237678300 1138751660 /nfs/dbraw/zinc/75/16/60/1138751660.db2.gz MLLOXGHGGVPKAW-YPMHNXCESA-N 1 0 323.389 2.040 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC001238068947 1138820059 /nfs/dbraw/zinc/82/00/59/1138820059.db2.gz WYQIASGRVFPSRH-CQSZACIVSA-N 1 0 309.385 2.075 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001319703100 1140675692 /nfs/dbraw/zinc/67/56/92/1140675692.db2.gz YBKAUXMBILJDFD-OAHLLOKOSA-N 1 0 301.434 2.243 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001319839998 1140757472 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C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N)cc1 ZINC001336289998 1142396270 /nfs/dbraw/zinc/39/62/70/1142396270.db2.gz FEBDIMZUMGBJHS-XJKSGUPXSA-N 1 0 302.422 2.037 20 10 DECDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC001336827283 1142585926 /nfs/dbraw/zinc/58/59/26/1142585926.db2.gz VMOPSGNUEOSCMI-KRWDZBQOSA-N 1 0 318.465 2.345 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC2CC3(CC([NH3+])C3)C2)cc1 ZINC001337070299 1142674812 /nfs/dbraw/zinc/67/48/12/1142674812.db2.gz MJFQMMHECGLUFY-UHFFFAOYSA-N 1 0 316.449 2.164 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3SC=CC3=O)n2C)C[C@@H]1C ZINC001341279686 1143577501 /nfs/dbraw/zinc/57/75/01/1143577501.db2.gz GWUUFANRZBFPJU-QWRGUYRKSA-N 1 0 321.450 2.168 20 10 DECDRO CCc1cccc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001261560381 1144256876 /nfs/dbraw/zinc/25/68/76/1144256876.db2.gz PIHMFCDQFMGKBJ-HNNXBMFYSA-N 1 0 307.434 2.469 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCO1 ZINC001261788791 1144276658 /nfs/dbraw/zinc/27/66/58/1144276658.db2.gz JDEAFZBKCDBWDY-GDBMZVCRSA-N 1 0 314.376 2.314 20 10 DECDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000378909342 1144366207 /nfs/dbraw/zinc/36/62/07/1144366207.db2.gz HMPPIJOLEABMHL-INIZCTEOSA-N 1 0 303.450 2.097 20 10 DECDRO COCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001283950561 1145723630 /nfs/dbraw/zinc/72/36/30/1145723630.db2.gz QJIRJRNWGYWNJL-GOEBONIOSA-N 1 0 320.433 2.119 20 10 DECDRO COCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001284561897 1145871293 /nfs/dbraw/zinc/87/12/93/1145871293.db2.gz FUGZEKALHCHHLA-MRXNPFEDSA-N 1 0 322.449 2.271 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC001308846394 1147487314 /nfs/dbraw/zinc/48/73/14/1147487314.db2.gz RHOMAZXPRRFQHW-UHFFFAOYSA-N 1 0 311.320 2.068 20 10 DECDRO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001326626484 1148169050 /nfs/dbraw/zinc/16/90/50/1148169050.db2.gz IJMWBHRRJMKKMI-ZBFHGGJFSA-N 1 0 302.418 2.405 20 10 DECDRO CCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466408 354403591 /nfs/dbraw/zinc/40/35/91/354403591.db2.gz TXGGMWPESFJJIA-HNNXBMFYSA-N 1 0 319.449 2.122 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1F ZINC000058482942 354592324 /nfs/dbraw/zinc/59/23/24/354592324.db2.gz FQVSAZGZFPSSAF-UHFFFAOYSA-N 1 0 322.428 2.177 20 10 DECDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092188683 355620185 /nfs/dbraw/zinc/62/01/85/355620185.db2.gz ZOXZSKMVDOEMPM-CYBMUJFWSA-N 1 0 309.797 2.035 20 10 DECDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4cccc(F)c43)c21 ZINC000592563288 357901719 /nfs/dbraw/zinc/90/17/19/357901719.db2.gz SVDJIUVBKQAGGY-GFCCVEGCSA-N 1 0 314.364 2.061 20 10 DECDRO COc1cccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000529665482 284234948 /nfs/dbraw/zinc/23/49/48/284234948.db2.gz YONKGVAWYHSCFZ-UHFFFAOYSA-N 1 0 320.433 2.088 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000105205977 194084671 /nfs/dbraw/zinc/08/46/71/194084671.db2.gz QWPLSBDSKDYHED-CQSZACIVSA-N 1 0 322.428 2.127 20 10 DECDRO COc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000105650464 194118238 /nfs/dbraw/zinc/11/82/38/194118238.db2.gz RTSKKEHBDINXOA-UPJWGTAASA-N 1 0 306.406 2.278 20 10 DECDRO CCCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702801 194244533 /nfs/dbraw/zinc/24/45/33/194244533.db2.gz KALMFEONNXACER-UHFFFAOYSA-N 1 0 307.413 2.384 20 10 DECDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000272298007 130016969 /nfs/dbraw/zinc/01/69/69/130016969.db2.gz IERQRBIYZRYQRZ-AWEZNQCLSA-N 1 0 304.390 2.121 20 10 DECDRO Cc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c(O)c1O ZINC000272567844 130041907 /nfs/dbraw/zinc/04/19/07/130041907.db2.gz HQMKRKOZBMAMMO-UHFFFAOYSA-N 1 0 306.406 2.351 20 10 DECDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1O ZINC000274803244 130263202 /nfs/dbraw/zinc/26/32/02/130263202.db2.gz RVNUMCQZYKIGRN-AWEZNQCLSA-N 1 0 313.401 2.475 20 10 DECDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000275420649 130317014 /nfs/dbraw/zinc/31/70/14/130317014.db2.gz DPIOJNAFUNYORA-RDJZCZTQSA-N 1 0 313.401 2.365 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000280255441 130793479 /nfs/dbraw/zinc/79/34/79/130793479.db2.gz JFQKQCCODURKDG-ZWKOTPCHSA-N 1 0 318.461 2.412 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000289203892 131365672 /nfs/dbraw/zinc/36/56/72/131365672.db2.gz BOJVCBWWHSLACA-CYBMUJFWSA-N 1 0 318.339 2.053 20 10 DECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)o1 ZINC000289527993 131394087 /nfs/dbraw/zinc/39/40/87/131394087.db2.gz VXWGTHIQMWIXGS-UHFFFAOYSA-N 1 0 321.329 2.079 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccsc1 ZINC000294766032 131859009 /nfs/dbraw/zinc/85/90/09/131859009.db2.gz FMNPZGHIYQKNLK-LLVKDONJSA-N 1 0 324.377 2.331 20 10 DECDRO CN(C)c1ccc(C[N@H+](CC(=O)N(C)C2CC2)C2CC2)cc1 ZINC000299207182 132093981 /nfs/dbraw/zinc/09/39/81/132093981.db2.gz RJSOIWGTJZFRCJ-UHFFFAOYSA-N 1 0 301.434 2.338 20 10 DECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccc1O ZINC000076312809 401790521 /nfs/dbraw/zinc/79/05/21/401790521.db2.gz UQQBDMJTYGXOBU-QGZVFWFLSA-N 1 0 320.433 2.144 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000133939487 401896402 /nfs/dbraw/zinc/89/64/02/401896402.db2.gz VYAXVTVZDABGGK-OAHLLOKOSA-N 1 0 312.417 2.313 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000037982469 401918853 /nfs/dbraw/zinc/91/88/53/401918853.db2.gz IWEBSCKWDMPGRY-OAHLLOKOSA-N 1 0 310.463 2.057 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOCC12CCC2 ZINC000093510073 402016601 /nfs/dbraw/zinc/01/66/01/402016601.db2.gz NCQYINKQLFXCFG-UHFFFAOYSA-N 1 0 302.418 2.278 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000093645466 402017269 /nfs/dbraw/zinc/01/72/69/402017269.db2.gz SEJRFIDWELBWPK-GOSISDBHSA-N 1 0 302.418 2.134 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000093018008 402010635 /nfs/dbraw/zinc/01/06/35/402010635.db2.gz BCZVDSRCUKDRCR-INIZCTEOSA-N 1 0 304.434 2.245 20 10 DECDRO COc1ccc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000125177418 402217801 /nfs/dbraw/zinc/21/78/01/402217801.db2.gz GJXFQOVYUHLAQO-HNNXBMFYSA-N 1 0 321.440 2.441 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1O ZINC000155597516 402262162 /nfs/dbraw/zinc/26/21/62/402262162.db2.gz AOMZJQXRTQUROT-CQSZACIVSA-N 1 0 306.406 2.139 20 10 DECDRO CC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176248766 402294212 /nfs/dbraw/zinc/29/42/12/402294212.db2.gz MOGGZOQQCIIJRY-OAHLLOKOSA-N 1 0 303.450 2.443 20 10 DECDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000177988138 402449457 /nfs/dbraw/zinc/44/94/57/402449457.db2.gz UTEQUUKJPWRRMI-OAHLLOKOSA-N 1 0 319.449 2.042 20 10 DECDRO C[C@@H]1CCC[C@](CNC(=O)Cc2ccc(N)cc2)([NH+](C)C)C1 ZINC000237367409 402405633 /nfs/dbraw/zinc/40/56/33/402405633.db2.gz YERPGFMFEFMIJP-KDOFPFPSSA-N 1 0 303.450 2.438 20 10 DECDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186203321 402410041 /nfs/dbraw/zinc/41/00/41/402410041.db2.gz JBLSPFWRDWNUGW-KOLCDFICSA-N 1 0 318.211 2.203 20 10 DECDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000170789711 402525675 /nfs/dbraw/zinc/52/56/75/402525675.db2.gz QIWOZJISAXWEAU-PBHICJAKSA-N 1 0 323.456 2.454 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1O ZINC000179779550 402600225 /nfs/dbraw/zinc/60/02/25/402600225.db2.gz WCHZWUXRPHHOHJ-OAHLLOKOSA-N 1 0 310.825 2.261 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccn1 ZINC000262851692 402735358 /nfs/dbraw/zinc/73/53/58/402735358.db2.gz KDVZKKUTIHZSLX-IUODEOHRSA-N 1 0 312.417 2.359 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1F ZINC000278508585 402866985 /nfs/dbraw/zinc/86/69/85/402866985.db2.gz PJBICTHGTSZVNK-QGZVFWFLSA-N 1 0 310.413 2.303 20 10 DECDRO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271415940 402868678 /nfs/dbraw/zinc/86/86/78/402868678.db2.gz YMRBMQAFUCALPI-MRXNPFEDSA-N 1 0 311.385 2.302 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000271793687 402884511 /nfs/dbraw/zinc/88/45/11/402884511.db2.gz JRHWDJFCWQKTIB-GFCCVEGCSA-N 1 0 302.378 2.207 20 10 DECDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944626 402888995 /nfs/dbraw/zinc/88/89/95/402888995.db2.gz YKCWIOREDDNBSC-GFCCVEGCSA-N 1 0 323.393 2.131 20 10 DECDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)C(=O)N1CCOCC1 ZINC000279966132 402965758 /nfs/dbraw/zinc/96/57/58/402965758.db2.gz CQHAQTPOUSPBRC-HOTGVXAUSA-N 1 0 320.433 2.379 20 10 DECDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000280511826 403007656 /nfs/dbraw/zinc/00/76/56/403007656.db2.gz QHUWAUXMBKZBRI-GFCCVEGCSA-N 1 0 300.196 2.357 20 10 DECDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000281764764 403089570 /nfs/dbraw/zinc/08/95/70/403089570.db2.gz CVYNNIJZZKBDLB-CYBMUJFWSA-N 1 0 305.399 2.164 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000268786003 403113543 /nfs/dbraw/zinc/11/35/43/403113543.db2.gz ZSSQRIBRAPCTMQ-KGLIPLIRSA-N 1 0 310.463 2.228 20 10 DECDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268848296 403119381 /nfs/dbraw/zinc/11/93/81/403119381.db2.gz BGMROHJOGNZNMT-GUYCJALGSA-N 1 0 310.413 2.330 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@]3(CCSC3)C1)OCO2 ZINC000269106020 403123463 /nfs/dbraw/zinc/12/34/63/403123463.db2.gz AVIPVCVRCGTNNE-MLGOLLRUSA-N 1 0 323.414 2.265 20 10 DECDRO CCCC[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1O ZINC000282429067 403153256 /nfs/dbraw/zinc/15/32/56/403153256.db2.gz JZTWGRCWEAAGRO-UHFFFAOYSA-N 1 0 320.418 2.485 20 10 DECDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000277405485 403214190 /nfs/dbraw/zinc/21/41/90/403214190.db2.gz ZGQCGUJFOAWNED-GFCCVEGCSA-N 1 0 306.406 2.358 20 10 DECDRO O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000276536661 403184525 /nfs/dbraw/zinc/18/45/25/403184525.db2.gz FPJWPPRMHVWCRX-GFCCVEGCSA-N 1 0 322.380 2.185 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1cccs1 ZINC000276710254 403192924 /nfs/dbraw/zinc/19/29/24/403192924.db2.gz RBRFOOBNKXUSFY-JTQLQIEISA-N 1 0 324.377 2.331 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1F ZINC000276779291 403193442 /nfs/dbraw/zinc/19/34/42/403193442.db2.gz JAXZKWHPSXWYRO-CQSZACIVSA-N 1 0 305.397 2.088 20 10 DECDRO COc1cccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271050956 403257824 /nfs/dbraw/zinc/25/78/24/403257824.db2.gz PLYATKQNAMPGLM-UHFFFAOYSA-N 1 0 306.406 2.137 20 10 DECDRO O=C(c1c(F)ccc(O)c1O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000277810195 403259538 /nfs/dbraw/zinc/25/95/38/403259538.db2.gz WGYIOKYIEDAHNA-UHFFFAOYSA-N 1 0 322.380 2.327 20 10 DECDRO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000271204243 403278223 /nfs/dbraw/zinc/27/82/23/403278223.db2.gz QVWGZWNMRGGBJK-NSHDSACASA-N 1 0 303.189 2.362 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCCc2cnn(C)n2)cc1 ZINC000292920189 403383523 /nfs/dbraw/zinc/38/35/23/403383523.db2.gz IECHTOGTBHJARO-UHFFFAOYSA-N 1 0 301.438 2.384 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000294002892 403621145 /nfs/dbraw/zinc/62/11/45/403621145.db2.gz CTYBRMGYYDYUBH-UONOGXRCSA-N 1 0 311.447 2.484 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000295091367 403757221 /nfs/dbraw/zinc/75/72/21/403757221.db2.gz JILHNQKJGGONOS-CQSZACIVSA-N 1 0 308.378 2.063 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000315422332 404010607 /nfs/dbraw/zinc/01/06/07/404010607.db2.gz ISVSXBSKCRRFHB-SWLSCSKDSA-N 1 0 301.390 2.309 20 10 DECDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000296164556 404124053 /nfs/dbraw/zinc/12/40/53/404124053.db2.gz XKJMEBRMVJWYEF-IJEWVQPXSA-N 1 0 304.434 2.468 20 10 DECDRO CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1ccc(C)cc1O ZINC000296433172 404245543 /nfs/dbraw/zinc/24/55/43/404245543.db2.gz LZFRADXQRYXSOR-GXTWGEPZSA-N 1 0 314.451 2.069 20 10 DECDRO COc1ccc(O)c(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1 ZINC000296599175 404310415 /nfs/dbraw/zinc/31/04/15/404310415.db2.gz RDPMUTOFRPEBMK-UHFFFAOYSA-N 1 0 310.394 2.357 20 10 DECDRO O=C(NCc1ccccc1O)NC1CC[NH+](C2CCC2)CC1 ZINC000297079805 404441563 /nfs/dbraw/zinc/44/15/63/404441563.db2.gz NYIWJYRFTUMCBY-UHFFFAOYSA-N 1 0 303.406 2.208 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[S@](C)=O)CC2)cc1 ZINC000364947471 404548564 /nfs/dbraw/zinc/54/85/64/404548564.db2.gz IHDAYTSEKYLMOV-ZSEKCTLFSA-N 1 0 310.463 2.021 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286323384 286909345 /nfs/dbraw/zinc/90/93/45/286909345.db2.gz XQRXDSDKSRMYDR-RHSMWYFYSA-N 1 0 323.456 2.456 20 10 DECDRO COCC[C@@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000372050721 227082363 /nfs/dbraw/zinc/08/23/63/227082363.db2.gz PTSYVIBHODKJRQ-GOSISDBHSA-N 1 0 322.449 2.041 20 10 DECDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000374901690 227142180 /nfs/dbraw/zinc/14/21/80/227142180.db2.gz WXVABGXNLCFOGJ-DOTOQJQBSA-N 1 0 319.380 2.353 20 10 DECDRO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCc2ccc(Cl)cc21 ZINC000662422912 425647683 /nfs/dbraw/zinc/64/76/83/425647683.db2.gz RUIXSUHLVYPJDR-NSHDSACASA-N 1 0 316.792 2.343 20 10 DECDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000370505777 273798913 /nfs/dbraw/zinc/79/89/13/273798913.db2.gz YJJDHXNIIDIMTJ-ZNFPLGDCSA-N 1 0 323.396 2.451 20 10 DECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000152551744 277314919 /nfs/dbraw/zinc/31/49/19/277314919.db2.gz NVDTYNJQEADHEQ-UHFFFAOYSA-N 1 0 324.396 2.094 20 10 DECDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N3Cc4cccc(O)c4C3)C[N@@H+]2C1 ZINC001348929225 1151210870 /nfs/dbraw/zinc/21/08/70/1151210870.db2.gz RWBKSAZXAYEBKJ-VHDGCEQUSA-N 1 0 300.402 2.355 20 10 DECDRO COCC[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026026 649868035 /nfs/dbraw/zinc/86/80/35/649868035.db2.gz PZRJXXQOWADMKT-PLNGDYQASA-N 1 0 303.450 2.030 20 10 DECDRO CC[NH+](CC)CCSCC(=O)N(C)Cc1ccccc1O ZINC000269169789 520706539 /nfs/dbraw/zinc/70/65/39/520706539.db2.gz XIFVJKXZMJCZTP-UHFFFAOYSA-N 1 0 310.463 2.426 20 10 DECDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC000180697434 521722642 /nfs/dbraw/zinc/72/26/42/521722642.db2.gz VIOWTJCGWZPIPX-CABCVRRESA-N 1 0 320.433 2.468 20 10 DECDRO COc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)cc1OC ZINC000159490758 522772449 /nfs/dbraw/zinc/77/24/49/522772449.db2.gz CDPWSQABXPUILN-UHFFFAOYSA-N 1 0 308.422 2.183 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1OC ZINC000181616443 522780470 /nfs/dbraw/zinc/78/04/70/522780470.db2.gz LQOJRQYTWHWVBZ-CYBMUJFWSA-N 1 0 320.389 2.395 20 10 DECDRO C[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000182230462 524178242 /nfs/dbraw/zinc/17/82/42/524178242.db2.gz GPAJLHZVQPOKCH-IZPAUZPXSA-N 1 0 318.417 2.492 20 10 DECDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237536097 524220963 /nfs/dbraw/zinc/22/09/63/524220963.db2.gz IVCQERBHPRUACO-OAHLLOKOSA-N 1 0 303.450 2.440 20 10 DECDRO Cc1ccc(C[N@H+](CCO)Cc2cc3c(cc2O)OCO3)cc1 ZINC000180843766 524413386 /nfs/dbraw/zinc/41/33/86/524413386.db2.gz SJNGXRZXHHFLGB-UHFFFAOYSA-N 1 0 315.369 2.424 20 10 DECDRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000269195135 526238101 /nfs/dbraw/zinc/23/81/01/526238101.db2.gz UMYVZZCOVQEMNX-UHFFFAOYSA-N 1 0 312.417 2.300 20 10 DECDRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(C)n1-c1ccccn1 ZINC000237645033 526261631 /nfs/dbraw/zinc/26/16/31/526261631.db2.gz BXCYTXMISLFAAQ-TZMCWYRMSA-N 1 0 312.417 2.312 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188819115 526341581 /nfs/dbraw/zinc/34/15/81/526341581.db2.gz VMAXPJIGWVKWBM-BXKDBHETSA-N 1 0 300.196 2.405 20 10 DECDRO Oc1ccc(F)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000180147956 526348434 /nfs/dbraw/zinc/34/84/34/526348434.db2.gz WILGSLYONVBYAF-UHFFFAOYSA-N 1 0 308.397 2.076 20 10 DECDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000189337413 527887304 /nfs/dbraw/zinc/88/73/04/527887304.db2.gz LRSNXINUKHRGOG-NWDGAFQWSA-N 1 0 300.196 2.404 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1F ZINC000377847229 528298797 /nfs/dbraw/zinc/29/87/97/528298797.db2.gz KPSVOOTZRPQDSU-AWEZNQCLSA-N 1 0 307.413 2.369 20 10 DECDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279805743 535727231 /nfs/dbraw/zinc/72/72/31/535727231.db2.gz DWSPEZOENHXCAJ-UHFFFAOYSA-N 1 0 317.355 2.339 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274273311 535752087 /nfs/dbraw/zinc/75/20/87/535752087.db2.gz RRMFFFFJFFWSDG-UHFFFAOYSA-N 1 0 319.430 2.425 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000287593428 536148134 /nfs/dbraw/zinc/14/81/34/536148134.db2.gz YKZIJLKSNPXASL-INIZCTEOSA-N 1 0 301.434 2.197 20 10 DECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196223 536862111 /nfs/dbraw/zinc/86/21/11/536862111.db2.gz QRLGDSGFMWYXGQ-TZMCWYRMSA-N 1 0 322.361 2.452 20 10 DECDRO C[C@H]1CN(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835039252 649870360 /nfs/dbraw/zinc/87/03/60/649870360.db2.gz YXVORAXKIFWMBC-APHBUQMISA-N 1 0 303.450 2.076 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835074535 649875717 /nfs/dbraw/zinc/87/57/17/649875717.db2.gz RPKSTVQYDRSXKY-UONOGXRCSA-N 1 0 304.390 2.034 20 10 DECDRO CN(C)c1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n1C ZINC000840886994 625281360 /nfs/dbraw/zinc/28/13/60/625281360.db2.gz QQWOEKHNQPSPJU-UHFFFAOYSA-N 1 0 313.449 2.158 20 10 DECDRO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077204648 623565033 /nfs/dbraw/zinc/56/50/33/623565033.db2.gz OTUXNMFXTFGUPM-AEFFLSMTSA-N 1 0 304.434 2.164 20 10 DECDRO CCOC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247303 623791888 /nfs/dbraw/zinc/79/18/88/623791888.db2.gz TWNSUSFKCMYBAS-MRXNPFEDSA-N 1 0 321.465 2.287 20 10 DECDRO CO[C@@H](C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247575 623792462 /nfs/dbraw/zinc/79/24/62/623792462.db2.gz IGJHHZZLCLAZTI-WMLDXEAASA-N 1 0 321.465 2.287 20 10 DECDRO CSC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891249754 623794541 /nfs/dbraw/zinc/79/45/41/623794541.db2.gz WKYWKAXBRUDSRN-OAHLLOKOSA-N 1 0 321.490 2.367 20 10 DECDRO CC(C)OCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256251 623803384 /nfs/dbraw/zinc/80/33/84/623803384.db2.gz WLFLGWFRENBTFY-QGZVFWFLSA-N 1 0 321.465 2.287 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000891391095 624138587 /nfs/dbraw/zinc/13/85/87/624138587.db2.gz MVQPRLVZGBQKCX-ZFWWWQNUSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000891391777 624138877 /nfs/dbraw/zinc/13/88/77/624138877.db2.gz QGZQAVWIGVPXQL-GASCZTMLSA-N 1 0 304.438 2.069 20 10 DECDRO CC[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891409726 624153655 /nfs/dbraw/zinc/15/36/55/624153655.db2.gz IHANAISUYJBLCW-XJKSGUPXSA-N 1 0 306.454 2.453 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933671265 624593742 /nfs/dbraw/zinc/59/37/42/624593742.db2.gz XDTMPXKHQGZQCB-FUHWJXTLSA-N 1 0 304.434 2.380 20 10 DECDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(O)c1OC ZINC000891934361 624669346 /nfs/dbraw/zinc/66/93/46/624669346.db2.gz ZIWRTAQVDLOMQH-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NCC2CCC2)[NH+](C)C)cc1 ZINC000892046526 624758895 /nfs/dbraw/zinc/75/88/95/624758895.db2.gz SVLUMIUZXGTNAQ-KRWDZBQOSA-N 1 0 318.465 2.455 20 10 DECDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000893044017 625074365 /nfs/dbraw/zinc/07/43/65/625074365.db2.gz CWUYQCMLRNWSFG-GHMZBOCLSA-N 1 0 320.505 2.038 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(C)=O)C[C@@H]32)cc1C ZINC001026158678 625160386 /nfs/dbraw/zinc/16/03/86/625160386.db2.gz YMUBOSFHYPZAQR-YESZJQIVSA-N 1 0 302.418 2.350 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576122 625163380 /nfs/dbraw/zinc/16/33/80/625163380.db2.gz LRKGOABWPZLEQK-WKILWMFISA-N 1 0 318.465 2.410 20 10 DECDRO NC(=O)c1cccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921691773 634767739 /nfs/dbraw/zinc/76/77/39/634767739.db2.gz JAANNRYEJBMUSA-UHFFFAOYSA-N 1 0 310.397 2.443 20 10 DECDRO C[C@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734159060 633340618 /nfs/dbraw/zinc/34/06/18/633340618.db2.gz FOSZBIXMJLBODV-ZDUSSCGKSA-N 1 0 307.394 2.446 20 10 DECDRO CCC[N@H+](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000735520345 633516945 /nfs/dbraw/zinc/51/69/45/633516945.db2.gz YLMRGIDYZZUWQR-MRXNPFEDSA-N 1 0 320.433 2.242 20 10 DECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCC1 ZINC000893525409 634132281 /nfs/dbraw/zinc/13/22/81/634132281.db2.gz AHNZXLYIYWULPO-UHFFFAOYSA-N 1 0 323.389 2.232 20 10 DECDRO COc1ccc(C[N@H+](C)CCc2ccncc2)c(O)c1OC ZINC000893542255 634356238 /nfs/dbraw/zinc/35/62/38/634356238.db2.gz YLRJXAJKUJXFFA-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980512371 635031891 /nfs/dbraw/zinc/03/18/91/635031891.db2.gz XTWRKXKKEOYKJK-CQSZACIVSA-N 1 0 317.393 2.404 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c(O)c1OC ZINC000893616985 635130142 /nfs/dbraw/zinc/13/01/42/635130142.db2.gz NOLKXKLNPPPDOV-UKRRQHHQSA-N 1 0 307.390 2.457 20 10 DECDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]C(C)C)C2)cc(OC)n1 ZINC000981198946 635361969 /nfs/dbraw/zinc/36/19/69/635361969.db2.gz METILCROGVPRPK-KBPBESRZSA-N 1 0 321.421 2.138 20 10 DECDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]C(C)C)C2)cc(OC)n1 ZINC000981198948 635362604 /nfs/dbraw/zinc/36/26/04/635362604.db2.gz METILCROGVPRPK-UONOGXRCSA-N 1 0 321.421 2.138 20 10 DECDRO COc1cccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)c1O ZINC000837485000 650204832 /nfs/dbraw/zinc/20/48/32/650204832.db2.gz LGDWDUIHSXUJHQ-UHFFFAOYSA-N 1 0 318.417 2.282 20 10 DECDRO CCCN1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000922191169 635982373 /nfs/dbraw/zinc/98/23/73/635982373.db2.gz CBLRALGGNWQAME-OAHLLOKOSA-N 1 0 302.418 2.360 20 10 DECDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000893873213 636052688 /nfs/dbraw/zinc/05/26/88/636052688.db2.gz YRUZJADVPVUZPZ-UHFFFAOYSA-N 1 0 318.417 2.200 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922588751 636261215 /nfs/dbraw/zinc/26/12/15/636261215.db2.gz AGBRPJFNEQXZBV-HNNXBMFYSA-N 1 0 309.429 2.092 20 10 DECDRO COc1cc(C)cc(C[NH2+]CCCOC[C@@H]2CCCO2)c1O ZINC000894153970 636309094 /nfs/dbraw/zinc/30/90/94/636309094.db2.gz QJMQOIPVEGIYHM-HNNXBMFYSA-N 1 0 309.406 2.385 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)ccc1OC ZINC000922725059 636348315 /nfs/dbraw/zinc/34/83/15/636348315.db2.gz KTHVFSIQDRWEDW-NUJGCVRESA-N 1 0 321.417 2.125 20 10 DECDRO CC[NH+]1CCC(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000726275229 636423369 /nfs/dbraw/zinc/42/33/69/636423369.db2.gz KIARCQNPVWSEAN-UHFFFAOYSA-N 1 0 305.422 2.266 20 10 DECDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3C)C1(F)F ZINC000894209162 636449234 /nfs/dbraw/zinc/44/92/34/636449234.db2.gz OSCPJAAAFKGELV-HIFRSBDPSA-N 1 0 324.371 2.213 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000186803082 636566971 /nfs/dbraw/zinc/56/69/71/636566971.db2.gz MPIMNCOJFPBJMU-BMGDILEWSA-N 1 0 304.434 2.477 20 10 DECDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2O)C1 ZINC000187004973 636666010 /nfs/dbraw/zinc/66/60/10/636666010.db2.gz GZWUSUPOJIEVNU-GFCCVEGCSA-N 1 0 306.406 2.338 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000756480767 636818458 /nfs/dbraw/zinc/81/84/58/636818458.db2.gz ZOLLUTVZJFBVDS-DTWKUNHWSA-N 1 0 320.311 2.118 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1C ZINC000922950299 636880701 /nfs/dbraw/zinc/88/07/01/636880701.db2.gz HKXMBKRCCWFMPV-QGZVFWFLSA-N 1 0 304.434 2.352 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1 ZINC000922999049 636905991 /nfs/dbraw/zinc/90/59/91/636905991.db2.gz OAWZYSNTZPVYIP-HNNXBMFYSA-N 1 0 313.449 2.308 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894479632 637063555 /nfs/dbraw/zinc/06/35/55/637063555.db2.gz JVPRIFJRLOFETK-CYBMUJFWSA-N 1 0 308.378 2.030 20 10 DECDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894532018 637092459 /nfs/dbraw/zinc/09/24/59/637092459.db2.gz HHVDINOWEMYHNA-NOLJZWGESA-N 1 0 319.401 2.483 20 10 DECDRO COc1cc(C)cc(C[N@H+](CCCO)Cc2ccccn2)c1O ZINC000894770082 637199088 /nfs/dbraw/zinc/19/90/88/637199088.db2.gz JKFFONKRJWKSSK-UHFFFAOYSA-N 1 0 316.401 2.489 20 10 DECDRO COC(=O)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000894789913 637206592 /nfs/dbraw/zinc/20/65/92/637206592.db2.gz FOYLIJVUCCKDJU-GFCCVEGCSA-N 1 0 309.362 2.046 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCCC2(C)C)c(O)c1OC ZINC000894794853 637212155 /nfs/dbraw/zinc/21/21/55/637212155.db2.gz UNVFYDYLDHBIEP-UHFFFAOYSA-N 1 0 308.422 2.373 20 10 DECDRO COc1cc(C)cc(C[N@H+](CCO)C2CCSCC2)c1O ZINC000894926038 637334430 /nfs/dbraw/zinc/33/44/30/637334430.db2.gz CVDKMXWQEAJBLK-UHFFFAOYSA-N 1 0 311.447 2.399 20 10 DECDRO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)[nH]1 ZINC000895007783 637380014 /nfs/dbraw/zinc/38/00/14/637380014.db2.gz NKHUECDTEDPJFZ-CYBMUJFWSA-N 1 0 303.385 2.308 20 10 DECDRO COC(=O)c1c(C[NH2+][C@@H]2CO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000895083716 637526957 /nfs/dbraw/zinc/52/69/57/637526957.db2.gz LVBVUFCYCCWFFF-JQWIXIFHSA-N 1 0 320.364 2.371 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898961 650373494 /nfs/dbraw/zinc/37/34/94/650373494.db2.gz LPIPMTUHCMLZDW-JTQLQIEISA-N 1 0 305.827 2.267 20 10 DECDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(F)ccc1O ZINC000840889492 650372176 /nfs/dbraw/zinc/37/21/76/650372176.db2.gz HCVCVCYYDTYHEJ-LLVKDONJSA-N 1 0 315.410 2.397 20 10 DECDRO C[C@H](CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+](C)C ZINC000895299799 637901912 /nfs/dbraw/zinc/90/19/12/637901912.db2.gz ODGBSVNDQRBCEJ-SECBINFHSA-N 1 0 301.774 2.384 20 10 DECDRO CCOCCN1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909443 650376355 /nfs/dbraw/zinc/37/63/55/650376355.db2.gz CAAUXKNGORPUTR-UHFFFAOYSA-N 1 0 305.466 2.215 20 10 DECDRO C[C@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741054439 637937827 /nfs/dbraw/zinc/93/78/27/637937827.db2.gz OFKGVHLHRJNXKB-GJZGRUSLSA-N 1 0 303.450 2.441 20 10 DECDRO Cc1cccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000895344785 637950578 /nfs/dbraw/zinc/95/05/78/637950578.db2.gz XGHVGJCYXMXQMO-HNNXBMFYSA-N 1 0 303.406 2.080 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000895586359 638097759 /nfs/dbraw/zinc/09/77/59/638097759.db2.gz UFMADJXITWOFAJ-AWEZNQCLSA-N 1 0 305.374 2.243 20 10 DECDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC000895721895 638165685 /nfs/dbraw/zinc/16/56/85/638165685.db2.gz NUUCQDONNIQLHN-HNNXBMFYSA-N 1 0 321.417 2.154 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCCS(=O)(=O)CC)cc1 ZINC000840973413 650397701 /nfs/dbraw/zinc/39/77/01/650397701.db2.gz MKEUOOAUCFNEPF-UHFFFAOYSA-N 1 0 312.479 2.447 20 10 DECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814654 638211973 /nfs/dbraw/zinc/21/19/73/638211973.db2.gz SSSYRSRSUVUYLA-CJNGLKHVSA-N 1 0 301.434 2.134 20 10 DECDRO CC(C)C[C@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841038965 650411990 /nfs/dbraw/zinc/41/19/90/650411990.db2.gz VVITWFJFAZOWRP-OAHLLOKOSA-N 1 0 309.429 2.125 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)F)[NH+](C)C)cc1 ZINC000896078549 638346696 /nfs/dbraw/zinc/34/66/96/638346696.db2.gz NUFLEUASDBXIAK-HNNXBMFYSA-N 1 0 324.444 2.403 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000749126073 638616854 /nfs/dbraw/zinc/61/68/54/638616854.db2.gz LIURNOUWKHXRPC-CJNGLKHVSA-N 1 0 301.434 2.276 20 10 DECDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(F)ccc1O ZINC000896814265 638691591 /nfs/dbraw/zinc/69/15/91/638691591.db2.gz KWQFGHVIRPFPET-UHFFFAOYSA-N 1 0 323.389 2.267 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC000897028304 639132168 /nfs/dbraw/zinc/13/21/68/639132168.db2.gz WTGFNPYQEPWSQK-HNNXBMFYSA-N 1 0 320.389 2.111 20 10 DECDRO Cc1cccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000897175568 639223680 /nfs/dbraw/zinc/22/36/80/639223680.db2.gz DZDXCILTRVQROT-INIZCTEOSA-N 1 0 305.418 2.454 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1 ZINC000753625395 639322762 /nfs/dbraw/zinc/32/27/62/639322762.db2.gz QAJPCQSXCGNJSV-UGSOOPFHSA-N 1 0 322.424 2.444 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000754727312 639464566 /nfs/dbraw/zinc/46/45/66/639464566.db2.gz XEKYCMABYZKUEN-UHFFFAOYSA-N 1 0 320.433 2.446 20 10 DECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)cc(OC)c1O)CC2 ZINC000754725927 639464975 /nfs/dbraw/zinc/46/49/75/639464975.db2.gz GRZCZHXCNJVEEU-CQSZACIVSA-N 1 0 319.401 2.484 20 10 DECDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc3ccccc3c1O)CC2 ZINC000897347565 639534469 /nfs/dbraw/zinc/53/44/69/639534469.db2.gz PBVWSVPTMNMJRY-AWEZNQCLSA-N 1 0 308.385 2.321 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2c1c(F)ccc2O ZINC000756368982 639654621 /nfs/dbraw/zinc/65/46/21/639654621.db2.gz AIFLQPKETQWAHD-CKYFFXLPSA-N 1 0 313.394 2.104 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000756398157 639658431 /nfs/dbraw/zinc/65/84/31/639658431.db2.gz CEFWYWPWWBGTBF-MCIONIFRSA-N 1 0 308.422 2.161 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000756414950 639660558 /nfs/dbraw/zinc/66/05/58/639660558.db2.gz ALOKRDMUQVIYHR-NWANDNLSSA-N 1 0 318.417 2.456 20 10 DECDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000756529278 639669799 /nfs/dbraw/zinc/66/97/99/639669799.db2.gz RJNRYZYMRXDAPE-NWDGAFQWSA-N 1 0 308.378 2.282 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756535544 639670508 /nfs/dbraw/zinc/67/05/08/639670508.db2.gz QYNFVXAKZMTLTP-ONGXEEELSA-N 1 0 301.383 2.104 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)c2c1c(F)ccc2O ZINC000756654606 639681777 /nfs/dbraw/zinc/68/17/77/639681777.db2.gz LBVQQAZBKWLJEJ-BTJLNZGRSA-N 1 0 309.381 2.458 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(CCO)CCOC2)c2c1c(F)ccc2O ZINC000756654612 639681836 /nfs/dbraw/zinc/68/18/36/639681836.db2.gz LBVQQAZBKWLJEJ-ZUCKAHLUSA-N 1 0 309.381 2.458 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CSC)[C@H]2C)cc1C ZINC000985946918 639705331 /nfs/dbraw/zinc/70/53/31/639705331.db2.gz YPOVQTOCESFQPD-ZFWWWQNUSA-N 1 0 322.474 2.446 20 10 DECDRO Cc1cc(C[NH2+]C(C)(C)CN2CCOCC2)ccc1N(C)C ZINC000839649982 639779654 /nfs/dbraw/zinc/77/96/54/639779654.db2.gz JAXVOVCXDQRIFK-UHFFFAOYSA-N 1 0 305.466 2.261 20 10 DECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000839672498 639799609 /nfs/dbraw/zinc/79/96/09/639799609.db2.gz VCWBLCZFXHNULE-CQSZACIVSA-N 1 0 308.447 2.091 20 10 DECDRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000841652398 650530360 /nfs/dbraw/zinc/53/03/60/650530360.db2.gz DHECHOZNITYXHR-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841716635 650549632 /nfs/dbraw/zinc/54/96/32/650549632.db2.gz CERZDSQSJMZUQX-WBVHZDCISA-N 1 0 316.449 2.036 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000841720695 650551282 /nfs/dbraw/zinc/55/12/82/650551282.db2.gz ZIGZHQRRJGTXTH-KRWDZBQOSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000841719166 650551285 /nfs/dbraw/zinc/55/12/85/650551285.db2.gz FMLMAYKXAZCNLD-MRXNPFEDSA-N 1 0 304.438 2.069 20 10 DECDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000841710082 650546888 /nfs/dbraw/zinc/54/68/88/650546888.db2.gz SGXYJJZNQMSBFJ-RHSMWYFYSA-N 1 0 316.449 2.166 20 10 DECDRO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000841758822 650558598 /nfs/dbraw/zinc/55/85/98/650558598.db2.gz DFPCAMUBBPLZFJ-ZFWWWQNUSA-N 1 0 322.428 2.161 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)NCCC[NH3+])cc2)CC1 ZINC000841792185 650565689 /nfs/dbraw/zinc/56/56/89/650565689.db2.gz AZWACTGUBFXNRA-UHFFFAOYSA-N 1 0 304.438 2.071 20 10 DECDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841792762 650565288 /nfs/dbraw/zinc/56/52/88/650565288.db2.gz FCQICXRFWVHPAS-OAHLLOKOSA-N 1 0 318.465 2.317 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCCNc2ncccn2)c1O ZINC000761202094 640284365 /nfs/dbraw/zinc/28/43/65/640284365.db2.gz MFUBMYFMSWGWLD-UHFFFAOYSA-N 1 0 322.796 2.436 20 10 DECDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841795728 650566380 /nfs/dbraw/zinc/56/63/80/650566380.db2.gz WJDBIIMLYULVDC-GASCZTMLSA-N 1 0 318.465 2.373 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841828278 650574025 /nfs/dbraw/zinc/57/40/25/650574025.db2.gz RPXANLMSKGYFKV-KRWDZBQOSA-N 1 0 316.449 2.097 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCC3CC(O)C3)CC2)cc1 ZINC000762649583 640447592 /nfs/dbraw/zinc/44/75/92/640447592.db2.gz OFRIJAMPROULTA-UHFFFAOYSA-N 1 0 304.434 2.415 20 10 DECDRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841881580 650591040 /nfs/dbraw/zinc/59/10/40/650591040.db2.gz SQTLLVRBBOHXED-ZDUSSCGKSA-N 1 0 302.422 2.033 20 10 DECDRO C[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841881624 650591269 /nfs/dbraw/zinc/59/12/69/650591269.db2.gz APSBGMZPSHNRPT-LRVUVFPRSA-N 1 0 304.438 2.383 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN(C)C3)CC2)cc1 ZINC000765281705 640760527 /nfs/dbraw/zinc/76/05/27/640760527.db2.gz RKCWUZNSXPMEFS-MRXNPFEDSA-N 1 0 303.450 2.348 20 10 DECDRO CCN(CC)C(=O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000765331492 640766872 /nfs/dbraw/zinc/76/68/72/640766872.db2.gz CYNKUKZRYQGCTK-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC([NH3+])CC2)c1 ZINC000841944735 650608140 /nfs/dbraw/zinc/60/81/40/650608140.db2.gz DDMIWAACAXJITF-VOMCLLRMSA-N 1 0 307.394 2.031 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841960551 650613757 /nfs/dbraw/zinc/61/37/57/650613757.db2.gz SJMVOPYPWPBMTA-PBHICJAKSA-N 1 0 318.465 2.183 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000841945474 650608936 /nfs/dbraw/zinc/60/89/36/650608936.db2.gz MXLYUNIEKVNZJY-UHFFFAOYSA-N 1 0 304.438 2.164 20 10 DECDRO C[NH+]1CCC2(CCCN2C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960671 650613416 /nfs/dbraw/zinc/61/34/16/650613416.db2.gz VAYXYSFFUUIALZ-UHFFFAOYSA-N 1 0 316.449 2.081 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000841765145 640869809 /nfs/dbraw/zinc/86/98/09/640869809.db2.gz NGZARAQEBFWGFY-MNOVXSKESA-N 1 0 300.349 2.391 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1C[NH2+]C1 ZINC000841964328 650614370 /nfs/dbraw/zinc/61/43/70/650614370.db2.gz DVWXIIPWSDNOJL-UHFFFAOYSA-N 1 0 316.449 2.038 20 10 DECDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841987392 650620117 /nfs/dbraw/zinc/62/01/17/650620117.db2.gz MWSHLEYFCWENHR-UKRRQHHQSA-N 1 0 304.438 2.035 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000841971113 650616341 /nfs/dbraw/zinc/61/63/41/650616341.db2.gz SPNMCHPHKCGDAI-SFHVURJKSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H](C[NH3+])NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841981909 650618975 /nfs/dbraw/zinc/61/89/75/650618975.db2.gz HHEHZMWAGQIRCA-LBPRGKRZSA-N 1 0 303.362 2.044 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000841996219 650622126 /nfs/dbraw/zinc/62/21/26/650622126.db2.gz RVIQWQIVPMRGBS-NWDGAFQWSA-N 1 0 309.410 2.279 20 10 DECDRO OCCC1CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC000898014771 641001608 /nfs/dbraw/zinc/00/16/08/641001608.db2.gz GCUJVSFQNNMULW-UHFFFAOYSA-N 1 0 300.196 2.405 20 10 DECDRO C[C@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842004252 650625165 /nfs/dbraw/zinc/62/51/65/650625165.db2.gz JOFPNVJUZQAXHH-STQMWFEESA-N 1 0 304.438 2.162 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768190839 641058651 /nfs/dbraw/zinc/05/86/51/641058651.db2.gz BMHKNQLVUZJYNG-CYBMUJFWSA-N 1 0 310.825 2.342 20 10 DECDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)on1 ZINC000768440811 641080910 /nfs/dbraw/zinc/08/09/10/641080910.db2.gz ZFLBOBPQRJNMPJ-HIFRSBDPSA-N 1 0 316.357 2.452 20 10 DECDRO COc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000768438623 641081147 /nfs/dbraw/zinc/08/11/47/641081147.db2.gz VYYWXDLDKQRBHG-QGZVFWFLSA-N 1 0 315.369 2.459 20 10 DECDRO COc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1C ZINC000768653799 641110130 /nfs/dbraw/zinc/11/01/30/641110130.db2.gz YSFGMLDSJLFFEH-UHFFFAOYSA-N 1 0 311.447 2.308 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC000769205042 641193102 /nfs/dbraw/zinc/19/31/02/641193102.db2.gz CLWOVSXICIHHKM-SFHVURJKSA-N 1 0 313.445 2.484 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(O)c1 ZINC000769301762 641213274 /nfs/dbraw/zinc/21/32/74/641213274.db2.gz YMXAUUHGLAWRKO-UHFFFAOYSA-N 1 0 307.390 2.376 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898450950 641662132 /nfs/dbraw/zinc/66/21/32/641662132.db2.gz WHJHZUOCDDGUHC-GOSISDBHSA-N 1 0 313.449 2.244 20 10 DECDRO Cc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000898451555 641663254 /nfs/dbraw/zinc/66/32/54/641663254.db2.gz ZMXINTRDGJMALZ-INIZCTEOSA-N 1 0 302.422 2.442 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1F ZINC000898463287 641669437 /nfs/dbraw/zinc/66/94/37/641669437.db2.gz WSNJQJYASHPVTG-DOTOQJQBSA-N 1 0 323.387 2.322 20 10 DECDRO Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c(O)c1O ZINC000772908643 641707289 /nfs/dbraw/zinc/70/72/89/641707289.db2.gz IIGUYOSMMFRAHM-UHFFFAOYSA-N 1 0 304.390 2.010 20 10 DECDRO C[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccccc1O ZINC000898588150 641712907 /nfs/dbraw/zinc/71/29/07/641712907.db2.gz CXGPHPDYCCTYRZ-ZDUSSCGKSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000773741761 641818278 /nfs/dbraw/zinc/81/82/78/641818278.db2.gz XNPZFHWDJYOGGY-UPJWGTAASA-N 1 0 306.406 2.018 20 10 DECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773761681 641821199 /nfs/dbraw/zinc/82/11/99/641821199.db2.gz BTUJRAWLSUVGFK-TZMCWYRMSA-N 1 0 306.406 2.019 20 10 DECDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484714 641908592 /nfs/dbraw/zinc/90/85/92/641908592.db2.gz PUKFOTWULMGVIO-LSDHHAIUSA-N 1 0 321.465 2.335 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N[C@H](C)C3CC3)C2)cc1 ZINC000899272711 642013922 /nfs/dbraw/zinc/01/39/22/642013922.db2.gz NJGHLRZBTARBJN-ZIAGYGMSSA-N 1 0 316.449 2.434 20 10 DECDRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257058 642021963 /nfs/dbraw/zinc/02/19/63/642021963.db2.gz DZHJQGBLQTXWEN-LSDHHAIUSA-N 1 0 319.449 2.089 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775747728 642089022 /nfs/dbraw/zinc/08/90/22/642089022.db2.gz MYWSAKOMPSUEKQ-RYUDHWBXSA-N 1 0 311.223 2.114 20 10 DECDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2O)C1 ZINC000775997874 642121510 /nfs/dbraw/zinc/12/15/10/642121510.db2.gz DKVFAJOGXABCBT-NEPJUHHUSA-N 1 0 310.369 2.488 20 10 DECDRO C[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776239781 642148586 /nfs/dbraw/zinc/14/85/86/642148586.db2.gz VFNNPUQBBYVTMC-AWEZNQCLSA-N 1 0 304.438 2.161 20 10 DECDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776520622 642180387 /nfs/dbraw/zinc/18/03/87/642180387.db2.gz CVKMMYPTGCBQQD-CYBMUJFWSA-N 1 0 307.394 2.398 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000776520550 642180574 /nfs/dbraw/zinc/18/05/74/642180574.db2.gz AMVHDTUMNYTKER-GJZGRUSLSA-N 1 0 318.465 2.407 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591164 642189319 /nfs/dbraw/zinc/18/93/19/642189319.db2.gz BYQMBEXDMKASNG-MRXNPFEDSA-N 1 0 302.330 2.466 20 10 DECDRO Oc1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000842471179 650747300 /nfs/dbraw/zinc/74/73/00/650747300.db2.gz HQWKHLQSZVRTPI-RDJZCZTQSA-N 1 0 304.434 2.373 20 10 DECDRO O=C(CCF)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000901286910 642622766 /nfs/dbraw/zinc/62/27/66/642622766.db2.gz LFXWACGQTJJESC-UHFFFAOYSA-N 1 0 319.424 2.194 20 10 DECDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c(O)c1O ZINC000780914393 642689202 /nfs/dbraw/zinc/68/92/02/642689202.db2.gz ITUSLMCZFQGBRW-UHFFFAOYSA-N 1 0 306.406 2.401 20 10 DECDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000783220332 642982839 /nfs/dbraw/zinc/98/28/39/642982839.db2.gz DLIIAOJNUBPRGW-KMFMINBZSA-N 1 0 301.434 2.276 20 10 DECDRO CC[C@@H]([NH2+]CCCON)c1cc(Br)ccc1O ZINC000902424727 643034168 /nfs/dbraw/zinc/03/41/68/643034168.db2.gz KIORHHHMNKNQDB-LLVKDONJSA-N 1 0 303.200 2.476 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842720043 650810576 /nfs/dbraw/zinc/81/05/76/650810576.db2.gz AQDHSQLETZODPF-CQSZACIVSA-N 1 0 306.406 2.280 20 10 DECDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H](C)O1 ZINC000783969434 643074095 /nfs/dbraw/zinc/07/40/95/643074095.db2.gz VAHYHIPJKCAQID-OCCSQVGLSA-N 1 0 302.374 2.176 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000786166221 643333650 /nfs/dbraw/zinc/33/36/50/643333650.db2.gz VLNBKGVSTWXPDF-HNNXBMFYSA-N 1 0 301.386 2.402 20 10 DECDRO COc1ccc2c(c1)CCCN2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718328 643438253 /nfs/dbraw/zinc/43/82/53/643438253.db2.gz KSAUBHROQLNDIQ-WMZOPIPTSA-N 1 0 302.418 2.216 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CC[C@]32C[NH3+])c1O ZINC000903796071 643465832 /nfs/dbraw/zinc/46/58/32/643465832.db2.gz RYRJEPUCPZDXBO-DYVFJYSZSA-N 1 0 306.381 2.437 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1 ZINC000787292641 643477556 /nfs/dbraw/zinc/47/75/56/643477556.db2.gz ISSJSLINEKHYAN-INIZCTEOSA-N 1 0 317.433 2.278 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC000787422091 643493416 /nfs/dbraw/zinc/49/34/16/643493416.db2.gz ZHLHVPXCTNIAON-SKDRFNHKSA-N 1 0 313.781 2.438 20 10 DECDRO COc1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903981872 643535318 /nfs/dbraw/zinc/53/53/18/643535318.db2.gz JLADBUQGTLVLDF-NXEZZACHSA-N 1 0 324.730 2.376 20 10 DECDRO C[C@H]([NH2+]CCCOCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000788736357 643640399 /nfs/dbraw/zinc/64/03/99/643640399.db2.gz UPOVTNKKURKGLE-JTQLQIEISA-N 1 0 307.312 2.461 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1(O)CCCC1 ZINC000905035115 643765371 /nfs/dbraw/zinc/76/53/71/643765371.db2.gz MOXFZNDYIGJJMZ-KRWDZBQOSA-N 1 0 304.434 2.042 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)cc1F ZINC000905077326 643776591 /nfs/dbraw/zinc/77/65/91/643776591.db2.gz XIKSNAPBXAGXPK-AWEZNQCLSA-N 1 0 310.413 2.037 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789938938 643792485 /nfs/dbraw/zinc/79/24/85/643792485.db2.gz JRQLAWIRPPRGHX-ZDUSSCGKSA-N 1 0 318.348 2.270 20 10 DECDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCC[C@H](C)C1 ZINC000790069196 643812302 /nfs/dbraw/zinc/81/23/02/643812302.db2.gz NMDWKVYRGOWGAZ-WDEREUQCSA-N 1 0 310.369 2.087 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000790385885 643846031 /nfs/dbraw/zinc/84/60/31/643846031.db2.gz FHAXYKHYOKQUGA-PMUMKWKESA-N 1 0 321.417 2.478 20 10 DECDRO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000790385881 643846059 /nfs/dbraw/zinc/84/60/59/643846059.db2.gz FHAXYKHYOKQUGA-DEYYWGMASA-N 1 0 321.417 2.478 20 10 DECDRO CCN(CC)c1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000843058702 650880017 /nfs/dbraw/zinc/88/00/17/650880017.db2.gz WUVOCFGJSAAJCB-CXAGYDPISA-N 1 0 309.429 2.220 20 10 DECDRO Cn1cnc(/C=C\C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000906032735 644118846 /nfs/dbraw/zinc/11/88/46/644118846.db2.gz SOOFFEDJYMRAOB-CCCPALQASA-N 1 0 324.428 2.343 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000793181364 644202928 /nfs/dbraw/zinc/20/29/28/644202928.db2.gz DGAQXQAQTQBQKA-MRXNPFEDSA-N 1 0 317.389 2.070 20 10 DECDRO COc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000794380279 644406576 /nfs/dbraw/zinc/40/65/76/644406576.db2.gz AJDDLYLEAXLXQZ-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(C)cc1O ZINC000794814680 644479945 /nfs/dbraw/zinc/47/99/45/644479945.db2.gz MQKMSHFYQBVRBM-ZDUSSCGKSA-N 1 0 302.378 2.063 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c(O)c1 ZINC000907924920 644690967 /nfs/dbraw/zinc/69/09/67/644690967.db2.gz AVYOXEAOJJIVMB-ZFWWWQNUSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cncc(/C=C/C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299740 650944596 /nfs/dbraw/zinc/94/45/96/650944596.db2.gz ZDSMTWOEVWWIST-CHHNCHTKSA-N 1 0 324.428 2.285 20 10 DECDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796393264 644730483 /nfs/dbraw/zinc/73/04/83/644730483.db2.gz HSKZXYLLJUMTAQ-XJKSGUPXSA-N 1 0 321.490 2.052 20 10 DECDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796496819 644745501 /nfs/dbraw/zinc/74/55/01/644745501.db2.gz CVWRNVYMGAJIOF-DOTOQJQBSA-N 1 0 304.434 2.285 20 10 DECDRO CON(C)C(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000799133114 645131014 /nfs/dbraw/zinc/13/10/14/645131014.db2.gz BGCHDODMIQFRIQ-UHFFFAOYSA-N 1 0 318.373 2.397 20 10 DECDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000800535054 645285359 /nfs/dbraw/zinc/28/53/59/645285359.db2.gz YLZHYRQKHJHQAT-LBPRGKRZSA-N 1 0 317.838 2.445 20 10 DECDRO CC[NH+](CC)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919710 645302339 /nfs/dbraw/zinc/30/23/39/645302339.db2.gz SNYDGHOCTNDHIV-OAHLLOKOSA-N 1 0 305.466 2.450 20 10 DECDRO C[NH+](C)CC1(C(=O)NCc2ccc(O)cc2O)CCCCC1 ZINC000910949347 645592724 /nfs/dbraw/zinc/59/27/24/645592724.db2.gz JUWHRGKNATZINI-UHFFFAOYSA-N 1 0 306.406 2.226 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2CCN3)cc1 ZINC000911666700 645770068 /nfs/dbraw/zinc/77/00/68/645770068.db2.gz KNCYHGFEOWWGEZ-QGZVFWFLSA-N 1 0 324.428 2.150 20 10 DECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000808446246 646085606 /nfs/dbraw/zinc/08/56/06/646085606.db2.gz JIKGMSBDLCPGPF-OWCLPIDISA-N 1 0 318.417 2.137 20 10 DECDRO COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000809735641 646270764 /nfs/dbraw/zinc/27/07/64/646270764.db2.gz MTAJJGZGKQLDLF-LBPRGKRZSA-N 1 0 323.393 2.129 20 10 DECDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000809742227 646273783 /nfs/dbraw/zinc/27/37/83/646273783.db2.gz ONHGEUCKOIQROB-UHFFFAOYSA-N 1 0 315.417 2.360 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000809770390 646280636 /nfs/dbraw/zinc/28/06/36/646280636.db2.gz XSCIWRJTFUICCZ-NSHDSACASA-N 1 0 317.838 2.268 20 10 DECDRO CCOc1ccc(C[NH2+]Cc2ccc(OC)nc2OC)c(O)c1 ZINC000810177031 646336020 /nfs/dbraw/zinc/33/60/20/646336020.db2.gz HQCLIHKCKCARGH-UHFFFAOYSA-N 1 0 318.373 2.493 20 10 DECDRO C[NH+]1CCN(c2ccc(CNc3ccc(Cl)nn3)cc2)CC1 ZINC000811836714 646583454 /nfs/dbraw/zinc/58/34/54/646583454.db2.gz LDFJCNQBZKUVDP-UHFFFAOYSA-N 1 0 317.824 2.494 20 10 DECDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c[nH]1 ZINC000813331668 646757691 /nfs/dbraw/zinc/75/76/91/646757691.db2.gz QUNHUTVDXFUJKE-SNVBAGLBSA-N 1 0 304.346 2.366 20 10 DECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815160290 646982615 /nfs/dbraw/zinc/98/26/15/646982615.db2.gz WBPJOUPPCCEDER-KDOFPFPSSA-N 1 0 322.424 2.303 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1n1cccn1 ZINC000815166972 646982928 /nfs/dbraw/zinc/98/29/28/646982928.db2.gz NJYFXQKJWITSAI-KSZLIROESA-N 1 0 314.433 2.457 20 10 DECDRO COCCCNC(=O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816482470 647140550 /nfs/dbraw/zinc/14/05/50/647140550.db2.gz HIDDEIKYVPKDMF-UHFFFAOYSA-N 1 0 316.401 2.130 20 10 DECDRO Oc1c(C[NH2+]CCCN2CCC(O)CC2)ccc2ccccc21 ZINC000816538049 647148948 /nfs/dbraw/zinc/14/89/48/647148948.db2.gz CBKIUWDODMLWEZ-UHFFFAOYSA-N 1 0 314.429 2.482 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1n1cccn1 ZINC000816672094 647167120 /nfs/dbraw/zinc/16/71/20/647167120.db2.gz PKAVXMLJLOKRDF-NUEKZKHPSA-N 1 0 305.353 2.236 20 10 DECDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(OCC)cc2O)CC1=O ZINC000817410741 647288158 /nfs/dbraw/zinc/28/81/58/647288158.db2.gz GZMSCYPQVKTOGO-CYBMUJFWSA-N 1 0 306.406 2.139 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000817419329 647291206 /nfs/dbraw/zinc/29/12/06/647291206.db2.gz UDBNCMWEQYMIBZ-HNNXBMFYSA-N 1 0 314.437 2.014 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1OC ZINC000817419279 647291595 /nfs/dbraw/zinc/29/15/95/647291595.db2.gz SPPMNVSNOHGDGF-CYBMUJFWSA-N 1 0 309.406 2.394 20 10 DECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000153117149 647357504 /nfs/dbraw/zinc/35/75/04/647357504.db2.gz VUHIFRZLVZJGEH-FZNQNYSPSA-N 1 0 322.424 2.303 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983191 647400913 /nfs/dbraw/zinc/40/09/13/647400913.db2.gz ZCRCKQQNZOWFLU-GHMZBOCLSA-N 1 0 318.339 2.440 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)ccc1O ZINC000818360564 647458035 /nfs/dbraw/zinc/45/80/35/647458035.db2.gz AWHFMLKSRPEWPU-VXGBXAGGSA-N 1 0 310.781 2.234 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678764 647501620 /nfs/dbraw/zinc/50/16/20/647501620.db2.gz PHGPUTDQHAHCHN-KRWDZBQOSA-N 1 0 315.373 2.484 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2)cc1 ZINC000818941627 647545262 /nfs/dbraw/zinc/54/52/62/647545262.db2.gz MGQOKOZQZWXFMV-IBGZPJMESA-N 1 0 314.429 2.420 20 10 DECDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818964439 647550915 /nfs/dbraw/zinc/55/09/15/647550915.db2.gz WCWVOPBQDYHNMZ-NSHDSACASA-N 1 0 318.339 2.012 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COCc1cccs1 ZINC000818996288 647560930 /nfs/dbraw/zinc/56/09/30/647560930.db2.gz DFANKVCOMGBFIT-HNNXBMFYSA-N 1 0 319.426 2.350 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000915830845 647645224 /nfs/dbraw/zinc/64/52/24/647645224.db2.gz VHXRXEQJKMRGNN-LBPRGKRZSA-N 1 0 320.433 2.396 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000732885410 647673522 /nfs/dbraw/zinc/67/35/22/647673522.db2.gz BGPNBKWXWKODAZ-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)cc2)on1 ZINC000820851866 647931833 /nfs/dbraw/zinc/93/18/33/647931833.db2.gz UCHKKFAUODVWFD-UHFFFAOYSA-N 1 0 303.362 2.159 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000917481385 648004059 /nfs/dbraw/zinc/00/40/59/648004059.db2.gz YWLFEEZXRRKDIZ-LLVKDONJSA-N 1 0 307.390 2.390 20 10 DECDRO CC/C=C(\F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918839403 648110648 /nfs/dbraw/zinc/11/06/48/648110648.db2.gz SHZVMMNJTPQIBZ-XRVIQIRUSA-N 1 0 305.397 2.318 20 10 DECDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000921070826 648269713 /nfs/dbraw/zinc/26/97/13/648269713.db2.gz YPSYZDPDYWRBGS-AWEZNQCLSA-N 1 0 306.454 2.282 20 10 DECDRO C[C@](CO)([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237635299 648397351 /nfs/dbraw/zinc/39/73/51/648397351.db2.gz UWNPZAZQRMTZCX-QGZVFWFLSA-N 1 0 301.342 2.118 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000824597667 648620477 /nfs/dbraw/zinc/62/04/77/648620477.db2.gz UBTDYAXCWKJTOP-AWEZNQCLSA-N 1 0 310.825 2.261 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824655727 648630442 /nfs/dbraw/zinc/63/04/42/648630442.db2.gz ZLOVCAJHNSPKOG-OAGGEKHMSA-N 1 0 321.417 2.153 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1F ZINC000824653733 648630664 /nfs/dbraw/zinc/63/06/64/648630664.db2.gz GTHGXKUYBXDCAB-DAYGRLMNSA-N 1 0 322.424 2.254 20 10 DECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000824815118 648656250 /nfs/dbraw/zinc/65/62/50/648656250.db2.gz IOHHHIFPDRSERW-MAUKXSAKSA-N 1 0 304.434 2.380 20 10 DECDRO CCOc1ccc(C[N@H+](CCO)C2CCSCC2)c(O)c1 ZINC000825129800 648708273 /nfs/dbraw/zinc/70/82/73/648708273.db2.gz FQRZFXJPKSLUPT-UHFFFAOYSA-N 1 0 311.447 2.481 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1Cl ZINC000825886147 648822414 /nfs/dbraw/zinc/82/24/14/648822414.db2.gz MTXFUXDCGGMIEK-SNVBAGLBSA-N 1 0 317.838 2.409 20 10 DECDRO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934385 648828049 /nfs/dbraw/zinc/82/80/49/648828049.db2.gz IJAOZFWKVGHMRE-GFCCVEGCSA-N 1 0 320.433 2.409 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826846077 648935565 /nfs/dbraw/zinc/93/55/65/648935565.db2.gz PEBNHHZVEASSFE-NSHDSACASA-N 1 0 322.796 2.168 20 10 DECDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000827280541 649007140 /nfs/dbraw/zinc/00/71/40/649007140.db2.gz FYPYWKOSQRUMCQ-QAPCUYQASA-N 1 0 320.408 2.131 20 10 DECDRO Cc1cc(CN2CC[NH+](CCO)CC2)ccc1N1CCCCC1 ZINC000827353683 649021187 /nfs/dbraw/zinc/02/11/87/649021187.db2.gz HFKVHVQOYZVZDC-UHFFFAOYSA-N 1 0 317.477 2.095 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1F ZINC000829038368 649263743 /nfs/dbraw/zinc/26/37/43/649263743.db2.gz FTGIMFZTIYSZML-UHFFFAOYSA-N 1 0 307.413 2.417 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1N1CCCCC1 ZINC000829159799 649279161 /nfs/dbraw/zinc/27/91/61/649279161.db2.gz XVCCCHCONIFAJS-PKOBYXMFSA-N 1 0 318.461 2.160 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000830509291 649454402 /nfs/dbraw/zinc/45/44/02/649454402.db2.gz GNULLLGWZBYFHJ-MRXNPFEDSA-N 1 0 305.422 2.415 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000733324769 649543129 /nfs/dbraw/zinc/54/31/29/649543129.db2.gz XOXTZHRCHAGIMH-UHFFFAOYSA-N 1 0 315.764 2.311 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccn2)cc1F ZINC000733325741 649543440 /nfs/dbraw/zinc/54/34/40/649543440.db2.gz RHJFQQBTKOSYDA-UHFFFAOYSA-N 1 0 316.380 2.405 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000733328877 649543798 /nfs/dbraw/zinc/54/37/98/649543798.db2.gz GDOLRSMKLCJEIR-QGZVFWFLSA-N 1 0 304.434 2.434 20 10 DECDRO NC(=O)c1cccc(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733328676 649544050 /nfs/dbraw/zinc/54/40/50/649544050.db2.gz ZPIOJTYPJFGMJQ-UHFFFAOYSA-N 1 0 304.777 2.477 20 10 DECDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945226577 649631440 /nfs/dbraw/zinc/63/14/40/649631440.db2.gz WCNVCOQXEJUMED-BXUZGUMPSA-N 1 0 317.393 2.309 20 10 DECDRO COc1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c(O)c1 ZINC000832177890 649681794 /nfs/dbraw/zinc/68/17/94/649681794.db2.gz IUPGOTLMKBNLQX-YVEFUNNKSA-N 1 0 314.385 2.353 20 10 DECDRO COc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)c(O)c1 ZINC000832178872 649682165 /nfs/dbraw/zinc/68/21/65/649682165.db2.gz YPMQVOOOOPASGG-INIZCTEOSA-N 1 0 314.385 2.497 20 10 DECDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000832266897 649690432 /nfs/dbraw/zinc/69/04/32/649690432.db2.gz KWVFALRQMVDNGX-CXAGYDPISA-N 1 0 312.417 2.067 20 10 DECDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000832266899 649690702 /nfs/dbraw/zinc/69/07/02/649690702.db2.gz KWVFALRQMVDNGX-DYVFJYSZSA-N 1 0 312.417 2.067 20 10 DECDRO Cc1ccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293341 649693295 /nfs/dbraw/zinc/69/32/95/649693295.db2.gz VGYQIIINHDRLAB-GOSISDBHSA-N 1 0 311.429 2.420 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000844184091 651087780 /nfs/dbraw/zinc/08/77/80/651087780.db2.gz XTLOMLCSBUNKKM-NXHRZFHOSA-N 1 0 313.445 2.290 20 10 DECDRO C[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000844191640 651089368 /nfs/dbraw/zinc/08/93/68/651089368.db2.gz NOMBZHLFGNAGOM-UHFFFAOYSA-N 1 0 324.428 2.202 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000844401455 651123336 /nfs/dbraw/zinc/12/33/36/651123336.db2.gz NQVLDSLIONLYSV-OAHLLOKOSA-N 1 0 321.465 2.319 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845047170 651197767 /nfs/dbraw/zinc/19/77/67/651197767.db2.gz MBANWIHGCQXKDJ-HZMBPMFUSA-N 1 0 323.824 2.328 20 10 DECDRO COc1cc(Cl)cc(CNc2cnn(CC[NH+](C)C)c2)c1O ZINC000846073263 651306307 /nfs/dbraw/zinc/30/63/07/651306307.db2.gz OWUPSUIHYHXZOC-UHFFFAOYSA-N 1 0 324.812 2.424 20 10 DECDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000846109736 651308429 /nfs/dbraw/zinc/30/84/29/651308429.db2.gz VLDWUNRXIQZETI-INIZCTEOSA-N 1 0 310.397 2.487 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846189270 651314355 /nfs/dbraw/zinc/31/43/55/651314355.db2.gz SCXKBANPSIPGQE-UHFFFAOYSA-N 1 0 304.438 2.023 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846672881 651344686 /nfs/dbraw/zinc/34/46/86/651344686.db2.gz MGMJEZFKGRXBJS-ROUUACIJSA-N 1 0 313.445 2.434 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846933361 651362695 /nfs/dbraw/zinc/36/26/95/651362695.db2.gz GUQPHTQPESHUDI-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000848514714 651465557 /nfs/dbraw/zinc/46/55/57/651465557.db2.gz PILKFQVGCTTZPT-HTQZYQBOSA-N 1 0 304.184 2.195 20 10 DECDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000848523996 651467097 /nfs/dbraw/zinc/46/70/97/651467097.db2.gz PKPKZOMPVHVHKZ-AWEZNQCLSA-N 1 0 312.417 2.472 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1F ZINC000848526485 651467244 /nfs/dbraw/zinc/46/72/44/651467244.db2.gz YVECQLNPNDSLAX-MRXNPFEDSA-N 1 0 321.440 2.235 20 10 DECDRO CCc1cccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1O ZINC000848918470 651561469 /nfs/dbraw/zinc/56/14/69/651561469.db2.gz ZXWJILYWZIDHTF-UHFFFAOYSA-N 1 0 311.447 2.259 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4n3CCC4)C2)cc1 ZINC000850346933 651904924 /nfs/dbraw/zinc/90/49/24/651904924.db2.gz LJIGGGJYCLLITH-AWEZNQCLSA-N 1 0 312.417 2.206 20 10 DECDRO COc1cccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000850395852 651919397 /nfs/dbraw/zinc/91/93/97/651919397.db2.gz CISAKWGCIZBOFJ-GFCCVEGCSA-N 1 0 306.406 2.137 20 10 DECDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1F ZINC000850410298 651922471 /nfs/dbraw/zinc/92/24/71/651922471.db2.gz KPTMJLQONZDYKJ-ZDUSSCGKSA-N 1 0 323.295 2.222 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3cnccn3)C2)cc1 ZINC000850486698 651937869 /nfs/dbraw/zinc/93/78/69/651937869.db2.gz JNEBJAOXGTVNQG-HUUCEWRRSA-N 1 0 312.417 2.285 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccnn3C)C2)cc1 ZINC000850489127 651938937 /nfs/dbraw/zinc/93/89/37/651938937.db2.gz QZJZENWEZWTXTD-KBPBESRZSA-N 1 0 300.406 2.358 20 10 DECDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568514 651954798 /nfs/dbraw/zinc/95/47/98/651954798.db2.gz ZNYPQFJSDRXWLV-OAHLLOKOSA-N 1 0 306.450 2.288 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH2+]C)cc1F ZINC000851656547 652199901 /nfs/dbraw/zinc/19/99/01/652199901.db2.gz MYGJFAIRUZJENA-LBPRGKRZSA-N 1 0 310.417 2.079 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCc1ccc(N)cc1 ZINC000851664756 652201761 /nfs/dbraw/zinc/20/17/61/652201761.db2.gz JVSZFXGOXVVRLZ-OAHLLOKOSA-N 1 0 318.465 2.231 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000851678183 652204783 /nfs/dbraw/zinc/20/47/83/652204783.db2.gz QICOGZHMUACYAH-SMDDNHRTSA-N 1 0 309.410 2.134 20 10 DECDRO CSC[C@H](CCO)[NH2+]Cc1c(O)cccc1Br ZINC000858144793 652264907 /nfs/dbraw/zinc/26/49/07/652264907.db2.gz UVIWTZSMNQTEBM-VIFPVBQESA-N 1 0 320.252 2.358 20 10 DECDRO CC1(C[NH2+]Cc2c(O)cccc2Br)OCCCO1 ZINC000858160246 652268474 /nfs/dbraw/zinc/26/84/74/652268474.db2.gz GAXAZJBSEWVMJN-UHFFFAOYSA-N 1 0 316.195 2.397 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCC2(O)CCOCC2)cc1F ZINC000858162636 652269481 /nfs/dbraw/zinc/26/94/81/652269481.db2.gz IXPHYOBDUXLPLM-UHFFFAOYSA-N 1 0 314.376 2.052 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1F ZINC000858165858 652270102 /nfs/dbraw/zinc/27/01/02/652270102.db2.gz PESILCDQRISUQU-LLVKDONJSA-N 1 0 306.360 2.401 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1Cc3ccccc3CO1)OCO2 ZINC000858211436 652280153 /nfs/dbraw/zinc/28/01/53/652280153.db2.gz IJEHIVPRXDTQQD-HNNXBMFYSA-N 1 0 313.353 2.352 20 10 DECDRO C[C@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000851950362 652290895 /nfs/dbraw/zinc/29/08/95/652290895.db2.gz NXYLGQOPOWUFOK-ZDUSSCGKSA-N 1 0 316.453 2.387 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1 ZINC000858326701 652307611 /nfs/dbraw/zinc/30/76/11/652307611.db2.gz BEZSMPKDISTQJY-HIFRSBDPSA-N 1 0 319.361 2.102 20 10 DECDRO Cc1cc(C[NH+]2CCC(O)(CO)CC2)ccc1N1CCCCC1 ZINC000852500599 652411437 /nfs/dbraw/zinc/41/14/37/652411437.db2.gz OYBAYHMLTLPCMU-UHFFFAOYSA-N 1 0 318.461 2.305 20 10 DECDRO Nc1ccc(CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000852926801 652480809 /nfs/dbraw/zinc/48/08/09/652480809.db2.gz GPPXQBPSAREVNP-MRXNPFEDSA-N 1 0 301.434 2.050 20 10 DECDRO COc1cc(Br)cc(C[NH2+]CCOCCF)c1O ZINC000853091241 652499903 /nfs/dbraw/zinc/49/99/03/652499903.db2.gz BQGZLVNVGRWVJE-UHFFFAOYSA-N 1 0 322.174 2.239 20 10 DECDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1 ZINC000853582187 652572939 /nfs/dbraw/zinc/57/29/39/652572939.db2.gz FBSUHCRGFGCAES-HNNXBMFYSA-N 1 0 305.422 2.197 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccon3)CC1)[C@@H](O)CO2 ZINC000853591151 652574921 /nfs/dbraw/zinc/57/49/21/652574921.db2.gz XJUFRTVNUHJNOM-INIZCTEOSA-N 1 0 316.357 2.186 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000853626181 652580201 /nfs/dbraw/zinc/58/02/01/652580201.db2.gz PJXCCOHFUMQIQQ-UHFFFAOYSA-N 1 0 304.390 2.201 20 10 DECDRO CCn1c(C2SC=CC2=O)nnc1N1CCC[N@H+](CC)CC1 ZINC001356278814 1152070226 /nfs/dbraw/zinc/07/02/26/1152070226.db2.gz SPIRCKVIPTUGAD-UHFFFAOYSA-N 1 0 321.450 2.264 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000387798611 685424829 /nfs/dbraw/zinc/42/48/29/685424829.db2.gz NOZURVDJNYMAEQ-GOSISDBHSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858603254 685567005 /nfs/dbraw/zinc/56/70/05/685567005.db2.gz VGZLKCDSLLWAHG-SMDDNHRTSA-N 1 0 304.390 2.205 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1O ZINC000085424803 684009287 /nfs/dbraw/zinc/00/92/87/684009287.db2.gz MONMDUJBEBXZSG-LBPRGKRZSA-N 1 0 323.437 2.176 20 10 DECDRO COC(=O)CC[N@H+](Cc1cc(C)ccc1O)C1CCOCC1 ZINC000093734802 684051395 /nfs/dbraw/zinc/05/13/95/684051395.db2.gz DECMWZXJNVVYGT-UHFFFAOYSA-N 1 0 307.390 2.245 20 10 DECDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000093734556 684051534 /nfs/dbraw/zinc/05/15/34/684051534.db2.gz JNORVZAEZWHROC-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000127251177 684161661 /nfs/dbraw/zinc/16/16/61/684161661.db2.gz VFACPZDVIVQPBJ-GOEBONIOSA-N 1 0 303.450 2.395 20 10 DECDRO COc1cccc(CNC(=O)c2cccc(C[NH+](C)C)c2)c1O ZINC000156156801 684286386 /nfs/dbraw/zinc/28/63/86/684286386.db2.gz ATIAQJFBKHHMOE-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)c1 ZINC000193925182 685051836 /nfs/dbraw/zinc/05/18/36/685051836.db2.gz DRZBCGJGQMJSSH-QWHCGFSZSA-N 1 0 306.406 2.452 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C1(O)CCC1 ZINC000929296738 693932313 /nfs/dbraw/zinc/93/23/13/693932313.db2.gz QZCSACVZBGVMLB-QGZVFWFLSA-N 1 0 306.450 2.239 20 10 DECDRO C[C@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C[NH2+]1 ZINC000861610259 686159146 /nfs/dbraw/zinc/15/91/46/686159146.db2.gz ZLSFUQUBYFJADL-QWRGUYRKSA-N 1 0 314.480 2.065 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1ccc2cccnc2c1O)[NH+](C)C ZINC000862027062 686225534 /nfs/dbraw/zinc/22/55/34/686225534.db2.gz IHWSESNDWBXGBU-HNNXBMFYSA-N 1 0 301.390 2.143 20 10 DECDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c1 ZINC000862432436 686301799 /nfs/dbraw/zinc/30/17/99/686301799.db2.gz CKTVAACOAKDFJB-UHFFFAOYSA-N 1 0 303.362 2.230 20 10 DECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862468402 686307059 /nfs/dbraw/zinc/30/70/59/686307059.db2.gz WRYAKGPBHOJXEP-GFCCVEGCSA-N 1 0 310.344 2.382 20 10 DECDRO COC(=O)[C@@]1(OC)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862475813 686307330 /nfs/dbraw/zinc/30/73/30/686307330.db2.gz YCAZKSIKERRUFB-OOFWQKGWSA-N 1 0 318.417 2.030 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1F ZINC000862528203 686314488 /nfs/dbraw/zinc/31/44/88/686314488.db2.gz WFZQZUGJZYZCPJ-HKZYLEAXSA-N 1 0 310.438 2.377 20 10 DECDRO CC[NH+](CC)CCSCC(=O)NCc1cc(C)ccc1O ZINC000862760059 686370011 /nfs/dbraw/zinc/37/00/11/686370011.db2.gz KLEJLUZDHWTZPW-UHFFFAOYSA-N 1 0 310.463 2.392 20 10 DECDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)n1cncn1 ZINC000865682643 687300366 /nfs/dbraw/zinc/30/03/66/687300366.db2.gz IRLRJKXYLMVBDJ-ZDUSSCGKSA-N 1 0 312.295 2.106 20 10 DECDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccccc1O ZINC000865716274 687310990 /nfs/dbraw/zinc/31/09/90/687310990.db2.gz PHFKWUGTQBNHFR-GOSISDBHSA-N 1 0 301.386 2.484 20 10 DECDRO CC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018604899 688184465 /nfs/dbraw/zinc/18/44/65/688184465.db2.gz JJXWEHVBPGBWCT-JKSUJKDBSA-N 1 0 320.433 2.119 20 10 DECDRO OC1([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930691453 694219625 /nfs/dbraw/zinc/21/96/25/694219625.db2.gz BCJDIZQMOVEDEX-GOSISDBHSA-N 1 0 316.445 2.403 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872126318 688932802 /nfs/dbraw/zinc/93/28/02/688932802.db2.gz KOWMVIAMTYIFSR-UMVBOHGHSA-N 1 0 308.397 2.084 20 10 DECDRO COc1ccc(C[NH2+]CCC2(CO)CC2)cc1Cn1cccn1 ZINC000873129879 689165279 /nfs/dbraw/zinc/16/52/79/689165279.db2.gz SHTPFEBGENCQQC-UHFFFAOYSA-N 1 0 315.417 2.192 20 10 DECDRO CCOc1ccc(O)c(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227135 689188490 /nfs/dbraw/zinc/18/84/90/689188490.db2.gz HJEZFTZFWFHDMF-DGCLKSJQSA-N 1 0 318.339 2.360 20 10 DECDRO CCOc1cccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873228633 689189632 /nfs/dbraw/zinc/18/96/32/689189632.db2.gz VCROOELIMHVLTA-NEPJUHHUSA-N 1 0 318.339 2.360 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)c1O ZINC000930919104 694273341 /nfs/dbraw/zinc/27/33/41/694273341.db2.gz SQJHAFXNIXACHV-GPCCPHFNSA-N 1 0 322.380 2.208 20 10 DECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571770 689861608 /nfs/dbraw/zinc/86/16/08/689861608.db2.gz QAQNZLHUXRBXBH-GCLPIYDQSA-N 1 0 301.346 2.040 20 10 DECDRO Cc1cccc(O)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000876731257 689918913 /nfs/dbraw/zinc/91/89/13/689918913.db2.gz OZBOYYNCSXFQPU-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876749837 689926092 /nfs/dbraw/zinc/92/60/92/689926092.db2.gz NABQMBKMFKIMIJ-YJBOKZPZSA-N 1 0 318.461 2.383 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC000876790245 689937193 /nfs/dbraw/zinc/93/71/93/689937193.db2.gz XCNWWEPCDIHRLE-LJQANCHMSA-N 1 0 316.445 2.260 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)cc2)CC1 ZINC000876790244 689937355 /nfs/dbraw/zinc/93/73/55/689937355.db2.gz XCNWWEPCDIHRLE-IBGZPJMESA-N 1 0 316.445 2.260 20 10 DECDRO CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001034800895 689950917 /nfs/dbraw/zinc/95/09/17/689950917.db2.gz IGZDPAHEXAMCFH-JOCQHMNTSA-N 1 0 317.393 2.500 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCOCC1 ZINC000876988601 689991175 /nfs/dbraw/zinc/99/11/75/689991175.db2.gz IQNKAROSYLMHCE-KRWDZBQOSA-N 1 0 310.413 2.423 20 10 DECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877089249 690016331 /nfs/dbraw/zinc/01/63/31/690016331.db2.gz LPPOMVAXHVKYHD-GOSISDBHSA-N 1 0 306.450 2.288 20 10 DECDRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1O ZINC000877255682 690057748 /nfs/dbraw/zinc/05/77/48/690057748.db2.gz HAGDXMRNCYSKGZ-NOZJJQNGSA-N 1 0 302.296 2.111 20 10 DECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877515361 690137312 /nfs/dbraw/zinc/13/73/12/690137312.db2.gz BXSGWWGVWSOQLG-MAEOIBBWSA-N 1 0 304.434 2.257 20 10 DECDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877572363 690155812 /nfs/dbraw/zinc/15/58/12/690155812.db2.gz DHXJAENFYUAEDT-OAHLLOKOSA-N 1 0 306.450 2.241 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1=CCCOC1 ZINC000877628277 690172493 /nfs/dbraw/zinc/17/24/93/690172493.db2.gz FXIGZVUMZYKUPJ-UHFFFAOYSA-N 1 0 316.445 2.426 20 10 DECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877661219 690181919 /nfs/dbraw/zinc/18/19/19/690181919.db2.gz YGCHVUTWZOWEOA-RHNCMZPLSA-N 1 0 304.434 2.162 20 10 DECDRO CCc1cccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1O ZINC000877672801 690185737 /nfs/dbraw/zinc/18/57/37/690185737.db2.gz AVJMVJFTZALOSZ-LBPRGKRZSA-N 1 0 314.311 2.439 20 10 DECDRO Cc1cccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000877677767 690188010 /nfs/dbraw/zinc/18/80/10/690188010.db2.gz ZXZVPMDIXBBFDB-UHFFFAOYSA-N 1 0 302.378 2.003 20 10 DECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877691520 690192968 /nfs/dbraw/zinc/19/29/68/690192968.db2.gz PKEISWVSCIBENO-SFHVURJKSA-N 1 0 322.424 2.399 20 10 DECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877778107 690224447 /nfs/dbraw/zinc/22/44/47/690224447.db2.gz KBRLQBWTULMKCD-GOEBONIOSA-N 1 0 306.450 2.287 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)ccc1N(C)C ZINC000880524031 690917527 /nfs/dbraw/zinc/91/75/27/690917527.db2.gz OIRQFFCHCOGQOF-WBVHZDCISA-N 1 0 301.434 2.162 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)ccc1N(C)C ZINC000880524030 690917612 /nfs/dbraw/zinc/91/76/12/690917612.db2.gz OIRQFFCHCOGQOF-RDJZCZTQSA-N 1 0 301.434 2.162 20 10 DECDRO CCC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848782 691173469 /nfs/dbraw/zinc/17/34/69/691173469.db2.gz AKXLIJNZVNHCMW-HNNXBMFYSA-N 1 0 303.450 2.491 20 10 DECDRO C/C=C(/CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854032 691174422 /nfs/dbraw/zinc/17/44/22/691174422.db2.gz SHSNXQAKGFSWBZ-XRVIQIRUSA-N 1 0 301.434 2.411 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883256224 691466465 /nfs/dbraw/zinc/46/64/65/691466465.db2.gz QULPQMYRKVHVCL-CQSZACIVSA-N 1 0 321.417 2.466 20 10 DECDRO Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000883283629 691471619 /nfs/dbraw/zinc/47/16/19/691471619.db2.gz MHSNJHVZSCXKFO-UHFFFAOYSA-N 1 0 310.445 2.432 20 10 DECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000883314282 691480292 /nfs/dbraw/zinc/48/02/92/691480292.db2.gz ABAZBLQCNTZQLZ-WOVMCDHWSA-N 1 0 315.417 2.455 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2c1c(F)ccc2O ZINC000883374659 691492213 /nfs/dbraw/zinc/49/22/13/691492213.db2.gz KURDTOAYGIDGKA-DNRKLUKYSA-N 1 0 313.394 2.245 20 10 DECDRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000883581780 691544666 /nfs/dbraw/zinc/54/46/66/691544666.db2.gz GFQWQBMPWZGICC-CJNGLKHVSA-N 1 0 304.438 2.207 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2F)c1O ZINC000886231623 692031895 /nfs/dbraw/zinc/03/18/95/692031895.db2.gz HUIITKONVHCUKD-CQSZACIVSA-N 1 0 305.349 2.233 20 10 DECDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749076 692182054 /nfs/dbraw/zinc/18/20/54/692182054.db2.gz IXPGENYNYCRVRC-CXAGYDPISA-N 1 0 301.434 2.276 20 10 DECDRO CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071358 692542931 /nfs/dbraw/zinc/54/29/31/692542931.db2.gz IDKRKMCPTGKBKE-WCQYABFASA-N 1 0 317.393 2.309 20 10 DECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924758793 693182275 /nfs/dbraw/zinc/18/22/75/693182275.db2.gz BABUCLGTIDCOGM-IEBWSBKVSA-N 1 0 318.461 2.410 20 10 DECDRO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794465 693186275 /nfs/dbraw/zinc/18/62/75/693186275.db2.gz FLTJLAXGGBHRSJ-PBHICJAKSA-N 1 0 320.433 2.325 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC000926597516 693477186 /nfs/dbraw/zinc/47/71/86/693477186.db2.gz YMTBNCGBYZPSAZ-KBPBESRZSA-N 1 0 301.438 2.471 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccnnc1 ZINC000926726288 693500263 /nfs/dbraw/zinc/50/02/63/693500263.db2.gz ZSSCXLZRGZVDFS-AWEZNQCLSA-N 1 0 312.417 2.289 20 10 DECDRO CCOCCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000927090161 693553198 /nfs/dbraw/zinc/55/31/98/693553198.db2.gz NJHLWNSNAJJUHU-MRXNPFEDSA-N 1 0 322.449 2.227 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C)cc1O ZINC000927147579 693561043 /nfs/dbraw/zinc/56/10/43/693561043.db2.gz SVCKAWVTDKZTKF-TZMCWYRMSA-N 1 0 300.406 2.427 20 10 DECDRO COCCOc1ccc(C[NH2+]Cc2cc(OC)ccc2O)o1 ZINC001342948144 1150632766 /nfs/dbraw/zinc/63/27/66/1150632766.db2.gz UYIHEAGIUJRTJY-UHFFFAOYSA-N 1 0 307.346 2.309 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(Cl)c1 ZINC001345076053 1150863546 /nfs/dbraw/zinc/86/35/46/1150863546.db2.gz 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800093636 /nfs/dbraw/zinc/09/36/36/800093636.db2.gz VISGQMNCHQZVIR-HNNXBMFYSA-N 1 0 306.406 2.282 20 10 DECDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c(O)c1 ZINC001203630943 800095906 /nfs/dbraw/zinc/09/59/06/800095906.db2.gz YDHLALVOZUCYBK-HNNXBMFYSA-N 1 0 318.417 2.091 20 10 DECDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001203635617 800096930 /nfs/dbraw/zinc/09/69/30/800096930.db2.gz BDTSUWIAFDQVLH-WCQYABFASA-N 1 0 318.186 2.450 20 10 DECDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)ccc1O ZINC001203648103 800099368 /nfs/dbraw/zinc/09/93/68/800099368.db2.gz DIBLHUMDHJHAIC-STQMWFEESA-N 1 0 311.223 2.433 20 10 DECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203680232 800105545 /nfs/dbraw/zinc/10/55/45/800105545.db2.gz NCNBXQFJNKXKDI-SCRDCRAPSA-N 1 0 305.374 2.174 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc1O ZINC001203878602 800138377 /nfs/dbraw/zinc/13/83/77/800138377.db2.gz HSKJNHNQRFVXAK-QAPCUYQASA-N 1 0 319.401 2.258 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)cc1 ZINC001203931535 800147577 /nfs/dbraw/zinc/14/75/77/800147577.db2.gz IYKAIGDQBIGCOU-UHFFFAOYSA-N 1 0 313.445 2.339 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](CCC(C)(C)O)CC2)cc1 ZINC001203937581 800148963 /nfs/dbraw/zinc/14/89/63/800148963.db2.gz YKZYIGYWPOSHRJ-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c2ccccc21 ZINC001204232444 800191450 /nfs/dbraw/zinc/19/14/50/800191450.db2.gz DHGFSAPWDFVISB-BEFAXECRSA-N 1 0 314.429 2.081 20 10 DECDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204274580 800198406 /nfs/dbraw/zinc/19/84/06/800198406.db2.gz PQYPRGYQBCBMPD-DOTOQJQBSA-N 1 0 307.390 2.258 20 10 DECDRO Oc1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001204282195 800200430 /nfs/dbraw/zinc/20/04/30/800200430.db2.gz OFCXHLYDUBAVGI-HOTGVXAUSA-N 1 0 308.397 2.496 20 10 DECDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204278205 800200803 /nfs/dbraw/zinc/20/08/03/800200803.db2.gz YDMNUNBWQYPKOW-AWEZNQCLSA-N 1 0 316.357 2.155 20 10 DECDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)nc1 ZINC001204280698 800200829 /nfs/dbraw/zinc/20/08/29/800200829.db2.gz BYLVKXHJRDBNBS-OAHLLOKOSA-N 1 0 315.373 2.240 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1CN1CCC[NH2+]CC1 ZINC001204685150 800246419 /nfs/dbraw/zinc/24/64/19/800246419.db2.gz UMVSCSPBSBYLKC-UHFFFAOYSA-N 1 0 304.312 2.129 20 10 DECDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001205197658 800314051 /nfs/dbraw/zinc/31/40/51/800314051.db2.gz YLEKWFRWCDROJS-BXKDBHETSA-N 1 0 304.312 2.255 20 10 DECDRO [NH3+][C@H]1CN(Cc2c(O)cccc2Br)CC(F)(F)C1 ZINC001206131633 800477707 /nfs/dbraw/zinc/47/77/07/800477707.db2.gz HDARTXWOJHJESB-MRVPVSSYSA-N 1 0 321.165 2.323 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H](F)CC2)c(Cl)c1 ZINC001206200719 800488271 /nfs/dbraw/zinc/48/82/71/800488271.db2.gz SSJRGIPQRPYPCG-CHWSQXEVSA-N 1 0 302.777 2.315 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000934941401 800505987 /nfs/dbraw/zinc/50/59/87/800505987.db2.gz XJPPJKVWKXJGAW-IUODEOHRSA-N 1 0 306.406 2.451 20 10 DECDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H](F)C2)c1O ZINC001210609108 801431063 /nfs/dbraw/zinc/43/10/63/801431063.db2.gz CSXBLLKDUOQFIB-LBPRGKRZSA-N 1 0 317.202 2.206 20 10 DECDRO CN(C1C[NH+](Cc2c(O)ccc3ccccc32)C1)[C@H]1CCOC1 ZINC001231589896 801690577 /nfs/dbraw/zinc/69/05/77/801690577.db2.gz UKQRTKQVSLLWIJ-HNNXBMFYSA-N 1 0 312.413 2.450 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)cc1O ZINC001231636568 801699845 /nfs/dbraw/zinc/69/98/45/801699845.db2.gz YHMZRGHPXRYDLK-GFCCVEGCSA-N 1 0 300.358 2.491 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c(O)cc1O ZINC001231633995 801700353 /nfs/dbraw/zinc/70/03/53/801700353.db2.gz FPNGMAZJKZONRM-NSHDSACASA-N 1 0 319.361 2.177 20 10 DECDRO CC[NH+](CC)CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000179293983 801719567 /nfs/dbraw/zinc/71/95/67/801719567.db2.gz GJKANBPLOGUISU-UHFFFAOYSA-N 1 0 305.466 2.297 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1 ZINC001231842498 801736144 /nfs/dbraw/zinc/73/61/44/801736144.db2.gz NLEDBLGITATGII-UHFFFAOYSA-N 1 0 304.434 2.306 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CCC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001231853876 801736853 /nfs/dbraw/zinc/73/68/53/801736853.db2.gz SVXKHXDFTIFRKV-RHSMWYFYSA-N 1 0 303.450 2.287 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001231853140 801737501 /nfs/dbraw/zinc/73/75/01/801737501.db2.gz GMUDDFMNOXANJW-KRWDZBQOSA-N 1 0 303.450 2.431 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@H+](C)CCc1noc(C)n1 ZINC001231852180 801737574 /nfs/dbraw/zinc/73/75/74/801737574.db2.gz RNVGDIVMGDQHQB-UHFFFAOYSA-N 1 0 304.394 2.127 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1Cl ZINC001231868247 801742852 /nfs/dbraw/zinc/74/28/52/801742852.db2.gz SGNSWFJJIKFQTO-ZDUSSCGKSA-N 1 0 311.809 2.470 20 10 DECDRO C[C@@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC001231879937 801743350 /nfs/dbraw/zinc/74/33/50/801743350.db2.gz XMFIPFCHNBVYID-WMZOPIPTSA-N 1 0 301.386 2.111 20 10 DECDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232259804 801831604 /nfs/dbraw/zinc/83/16/04/801831604.db2.gz KFEUWMLRYVAAAO-INIZCTEOSA-N 1 0 324.808 2.338 20 10 DECDRO O=C1COC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232257287 801831794 /nfs/dbraw/zinc/83/17/94/801831794.db2.gz BMYVAHJOKXNUDU-UHFFFAOYSA-N 1 0 311.765 2.075 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835938 801969973 /nfs/dbraw/zinc/96/99/73/801969973.db2.gz IRLNVAOBZWQUTF-UHFFFAOYSA-N 1 0 306.406 2.233 20 10 DECDRO Oc1cc(CN2CCCC[C@H]2C[NH+]2CCCC2)cc(O)c1O ZINC001233012602 802003651 /nfs/dbraw/zinc/00/36/51/802003651.db2.gz LOTYDXSIUNCQTC-AWEZNQCLSA-N 1 0 306.406 2.254 20 10 DECDRO CCOC(=O)c1c(C[N@H+](C)CCOC)c2ccccc2n1C ZINC001233270402 802060016 /nfs/dbraw/zinc/06/00/16/802060016.db2.gz MMKFJSOEJBTTDK-UHFFFAOYSA-N 1 0 304.390 2.433 20 10 DECDRO CN1C[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1=O ZINC001233285314 802064282 /nfs/dbraw/zinc/06/42/82/802064282.db2.gz AZRLXBCUNRPHRT-HIFRSBDPSA-N 1 0 302.418 2.210 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233287132 802064423 /nfs/dbraw/zinc/06/44/23/802064423.db2.gz XVMQTXULHNBBFO-MRXNPFEDSA-N 1 0 306.450 2.452 20 10 DECDRO Oc1c(CN2CCO[C@@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416408 802111946 /nfs/dbraw/zinc/11/19/46/802111946.db2.gz HABLOVALGOVSDP-AWEZNQCLSA-N 1 0 317.307 2.402 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)cc1O ZINC001233483355 802127693 /nfs/dbraw/zinc/12/76/93/802127693.db2.gz WYNGRJBUUHMJMO-UHFFFAOYSA-N 1 0 315.316 2.194 20 10 DECDRO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1O ZINC001233487773 802129187 /nfs/dbraw/zinc/12/91/87/802129187.db2.gz RMMWDYXSAXQJLV-KBPBESRZSA-N 1 0 324.396 2.202 20 10 DECDRO Oc1c(C[NH+]2CCN(CCF)CC2)cccc1OC(F)(F)F ZINC001233760536 802199593 /nfs/dbraw/zinc/19/95/93/802199593.db2.gz GVKZTARDMXXFAP-UHFFFAOYSA-N 1 0 322.302 2.378 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+]3CCc4nncn4CC3)c2c1 ZINC001234525776 802403281 /nfs/dbraw/zinc/40/32/81/802403281.db2.gz JTLAUAHFNMWPCW-UHFFFAOYSA-N 1 0 324.384 2.204 20 10 DECDRO COc1ccc2ccc(O)c(C[N@H+]3CCC(=O)N(C)CC3)c2c1 ZINC001234552650 802413046 /nfs/dbraw/zinc/41/30/46/802413046.db2.gz DORIWSAYCJQSRY-UHFFFAOYSA-N 1 0 314.385 2.218 20 10 DECDRO Cn1c(=O)ccc2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc21 ZINC001222505131 802697852 /nfs/dbraw/zinc/69/78/52/802697852.db2.gz IRDRGGOJBKPUSO-UHFFFAOYSA-N 1 0 322.412 2.498 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)CCOC2CCOCC2)cc1 ZINC001331396725 1149436050 /nfs/dbraw/zinc/43/60/50/1149436050.db2.gz PEEYNSLXHQLLDK-UHFFFAOYSA-N 1 0 322.449 2.259 20 10 DECDRO COC(=O)c1cc(C2CC[NH+](Cc3ccc(N)cc3)CC2)no1 ZINC001335287715 1150393122 /nfs/dbraw/zinc/39/31/22/1150393122.db2.gz ACBJGWSZTHDWLZ-UHFFFAOYSA-N 1 0 315.373 2.423 20 10 DECDRO C[NH2+]CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001335509921 1150438183 /nfs/dbraw/zinc/43/81/83/1150438183.db2.gz OTNGBTIATQCBPW-AWEZNQCLSA-N 1 0 306.454 2.453 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCCCC[NH3+])cc1F ZINC001345140846 1150867295 /nfs/dbraw/zinc/86/72/95/1150867295.db2.gz IHDZUVINQOPCOU-UHFFFAOYSA-N 1 0 310.417 2.210 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)c1 ZINC001346197783 1150950092 /nfs/dbraw/zinc/95/00/92/1150950092.db2.gz YBSKTQQONYDJBQ-NSHDSACASA-N 1 0 319.405 2.057 20 10 DECDRO C[N@H+](CCNC(=O)NCc1ccc(N)cc1)Cc1ccccc1 ZINC001346212672 1150952025 /nfs/dbraw/zinc/95/20/25/1150952025.db2.gz DGFMIAGHXSIZOW-UHFFFAOYSA-N 1 0 312.417 2.200 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C[NH2+]C)cc1F ZINC001328712515 1148826936 /nfs/dbraw/zinc/82/69/36/1148826936.db2.gz BHIGMZNKSVOWOG-CYBMUJFWSA-N 1 0 324.444 2.327 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2c[nH+]cn2c1 ZINC001468835331 1059861478 /nfs/dbraw/zinc/86/14/78/1059861478.db2.gz NCOQBHFHIFCUIL-ZZXKWVIFSA-N 1 0 309.325 2.075 20 10 DECDRO COCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479427002 1061452310 /nfs/dbraw/zinc/45/23/10/1061452310.db2.gz FYDOCYVSDRBSSU-JKSUJKDBSA-N 1 0 320.433 2.025 20 10 DECDRO COCCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001508094213 1063548253 /nfs/dbraw/zinc/54/82/53/1063548253.db2.gz UXQAPJCXJQYTMN-UHFFFAOYSA-N 1 0 320.433 2.119 20 10 DECDRO O=C(NCCCSc1nccs1)C12CCC[NH+]1CCC2 ZINC001616240964 1078129306 /nfs/dbraw/zinc/12/93/06/1078129306.db2.gz ICDHWMJOHSLNTH-UHFFFAOYSA-N 1 0 311.476 2.370 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Cl)cc1O ZINC001621236099 1078171437 /nfs/dbraw/zinc/17/14/37/1078171437.db2.gz WEGIGWGOXYGOPB-CQSZACIVSA-N 1 0 301.770 2.103 20 10 DECDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628126413 1078290644 /nfs/dbraw/zinc/29/06/44/1078290644.db2.gz JALHSYFBVYMVFF-ZIAGYGMSSA-N 1 0 317.393 2.452 20 10 DECDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001630218284 1078334999 /nfs/dbraw/zinc/33/49/99/1078334999.db2.gz WZMWHLZSHUJTLR-AWEZNQCLSA-N 1 0 320.433 2.411 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)COC(C)(C)C)cc1C ZINC001498032938 1066470612 /nfs/dbraw/zinc/47/06/12/1066470612.db2.gz DZHGTFVZYXSJKW-AWEZNQCLSA-N 1 0 322.449 2.413 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881358 1066710905 /nfs/dbraw/zinc/71/09/05/1066710905.db2.gz KRIWUHYGNXPLIV-OWCLPIDISA-N 1 0 317.477 2.218 20 10 DECDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001633955131 1078417083 /nfs/dbraw/zinc/41/70/83/1078417083.db2.gz UDOYTOVPLFASFK-HNNXBMFYSA-N 1 0 318.417 2.117 20 10 DECDRO C[NH2+]C1CC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC001578593359 1067137114 /nfs/dbraw/zinc/13/71/14/1067137114.db2.gz KBQUDTWSDKDMBQ-UHFFFAOYSA-N 1 0 301.434 2.242 20 10 DECDRO COC(=O)c1ccc2c(c1)CCCCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC001578875330 1067187836 /nfs/dbraw/zinc/18/78/36/1067187836.db2.gz ZJIHDPAMBPMWIG-HNNXBMFYSA-N 1 0 314.385 2.190 20 10 DECDRO Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(C[NH3+])n1C ZINC001579524199 1067359567 /nfs/dbraw/zinc/35/95/67/1067359567.db2.gz JEUKSKQKUVDBJD-LBPRGKRZSA-N 1 0 314.433 2.349 20 10 DECDRO O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1cc(Cl)ccc1O ZINC001644590548 1078851116 /nfs/dbraw/zinc/85/11/16/1078851116.db2.gz DRLHJGUCWVMXIZ-LBPRGKRZSA-N 1 0 300.761 2.096 20 10 DECDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1cc(Cl)ccc1O ZINC001644590547 1078851346 /nfs/dbraw/zinc/85/13/46/1078851346.db2.gz DRLHJGUCWVMXIZ-GFCCVEGCSA-N 1 0 300.761 2.096 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)c(O)c1 ZINC001521687199 1069262882 /nfs/dbraw/zinc/26/28/82/1069262882.db2.gz SBBYDCMRPHNSHJ-SRCQZFHVSA-N 1 0 318.417 2.185 20 10 DECDRO CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC001645356176 1078895754 /nfs/dbraw/zinc/89/57/54/1078895754.db2.gz VUDWDEPGEPUHRS-HOCLYGCPSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001542390068 1072457044 /nfs/dbraw/zinc/45/70/44/1072457044.db2.gz YONNKKXWHOXDOX-AWEZNQCLSA-N 1 0 303.450 2.273 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001327373876 1148541141 /nfs/dbraw/zinc/54/11/41/1148541141.db2.gz BGDBQUFMSLPDQV-UHFFFAOYSA-N 1 0 300.406 2.463 20 10 DECDRO C[NH+](C)CCc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001558161278 1075084168 /nfs/dbraw/zinc/08/41/68/1075084168.db2.gz KWWJQDPTHSOHRQ-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2c(O)cccc2O)o1 ZINC001558534537 1075097603 /nfs/dbraw/zinc/09/76/03/1075097603.db2.gz UDDHBFRYPIBMDM-UHFFFAOYSA-N 1 0 318.373 2.463 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1O ZINC001560075088 1075132359 /nfs/dbraw/zinc/13/23/59/1075132359.db2.gz RWOVNONASJOBII-SNVBAGLBSA-N 1 0 315.329 2.250 20 10 DECDRO CCCN1CCC[N@H+](Cc2c(C)cc(OC)cc2O)CC1=O ZINC001560762738 1075145461 /nfs/dbraw/zinc/14/54/61/1075145461.db2.gz SEQPEJZOVIESAI-UHFFFAOYSA-N 1 0 306.406 2.154 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001587223277 1076414319 /nfs/dbraw/zinc/41/43/19/1076414319.db2.gz JGVVTRIOOKAMIO-MFKMUULPSA-N 1 0 303.366 2.062 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC(C)(C)O)cc1C ZINC001267979241 1079661990 /nfs/dbraw/zinc/66/19/90/1079661990.db2.gz KQJZHINUHZFRGU-CYBMUJFWSA-N 1 0 322.449 2.007 20 10 DECDRO CCOCc1cc(C[NH2+]CC2(C(N)=O)CCCC2)ccc1OC ZINC001655609465 1080009305 /nfs/dbraw/zinc/00/93/05/1080009305.db2.gz VQTUPGNDZSHLDX-UHFFFAOYSA-N 1 0 320.433 2.367 20 10 DECDRO C[NH+]1CCN(c2ccc(C[NH2+]CCc3cscn3)cc2)CC1 ZINC001655827273 1080020558 /nfs/dbraw/zinc/02/05/58/1080020558.db2.gz SKDLMFKPPUQZEW-UHFFFAOYSA-N 1 0 316.474 2.227 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)ccc1OC ZINC001656814233 1080126288 /nfs/dbraw/zinc/12/62/88/1080126288.db2.gz MLKBSDWCNITVFY-KDOFPFPSSA-N 1 0 322.449 2.040 20 10 DECDRO COC[C@]1(C(=O)OC)CCCN1Cc1ccc(Cl)cc1O ZINC001658644576 1080213190 /nfs/dbraw/zinc/21/31/90/1080213190.db2.gz AIVNRYMAENYVOO-HNNXBMFYSA-N 1 0 313.781 2.200 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)[C@@H]1CN(C)CCN1C ZINC001660047334 1080259767 /nfs/dbraw/zinc/25/97/67/1080259767.db2.gz IVJOGPATGPGGIX-KDOFPFPSSA-N 1 0 313.445 2.269 20 10 DECDRO CNC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001661150727 1080448105 /nfs/dbraw/zinc/44/81/05/1080448105.db2.gz RTZVALFOEYBGRA-UHFFFAOYSA-N 1 0 307.413 2.286 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)COC(C)C)C2)cc1C ZINC001661572735 1080495126 /nfs/dbraw/zinc/49/51/26/1080495126.db2.gz ISEQRFYOSCHKCW-IYBDPMFKSA-N 1 0 320.433 2.165 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(=O)C(C)(C)C)cc1C ZINC001662184059 1080579339 /nfs/dbraw/zinc/57/93/39/1080579339.db2.gz GBXPIUDRVSFNDM-CYBMUJFWSA-N 1 0 320.433 2.213 20 10 DECDRO Cc1cn(C)nc1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001663422244 1080743928 /nfs/dbraw/zinc/74/39/28/1080743928.db2.gz HCVRMGKHGMGHHK-GOSISDBHSA-N 1 0 315.465 2.187 20 10 DECDRO COc1ccc(C[NH2+][C@H](CNC(=O)C(F)F)C(C)C)cc1C ZINC001667431168 1081251641 /nfs/dbraw/zinc/25/16/41/1081251641.db2.gz NRMFBBQPUQVLTP-CYBMUJFWSA-N 1 0 314.376 2.499 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C2CCN(OC)CC2)c1O ZINC000692134306 1081292095 /nfs/dbraw/zinc/29/20/95/1081292095.db2.gz NIQTXFDVBMMTPK-UHFFFAOYSA-N 1 0 300.786 2.170 20 10 DECDRO CN(C)c1ccc(/C=C/C(=O)N2CCCC3(C[NH+](C)C3)C2)cc1 ZINC001270932159 1081842684 /nfs/dbraw/zinc/84/26/84/1081842684.db2.gz LANDBGCGZUJPJL-JXMROGBWSA-N 1 0 313.445 2.320 20 10 DECDRO CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266926856 1082457300 /nfs/dbraw/zinc/45/73/00/1082457300.db2.gz RFFAGDQTTSGQFN-KBPBESRZSA-N 1 0 308.422 2.023 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2CC(OC)C2)cc1C ZINC001483239193 1083049683 /nfs/dbraw/zinc/04/96/83/1083049683.db2.gz RLFNIXXGQHABTD-JEYLPNPQSA-N 1 0 320.433 2.023 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c(O)c1 ZINC001272765960 1083978533 /nfs/dbraw/zinc/97/85/33/1083978533.db2.gz LWLKAJMTDVXPQK-QGZVFWFLSA-N 1 0 324.371 2.390 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCOC[C@@H]3F)cc2)CC1 ZINC001234661612 1084192047 /nfs/dbraw/zinc/19/20/47/1084192047.db2.gz VVDYVOJAVKZQCJ-DLBZAZTESA-N 1 0 308.397 2.334 20 10 DECDRO OC[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1O ZINC001235002349 1084268320 /nfs/dbraw/zinc/26/83/20/1084268320.db2.gz PQHFNJMOJJZOLS-WMZOPIPTSA-N 1 0 313.397 2.234 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)c(OC)c1 ZINC001235189214 1084337877 /nfs/dbraw/zinc/33/78/77/1084337877.db2.gz XUXIFPUTQUWLDQ-WMLDXEAASA-N 1 0 303.450 2.335 20 10 DECDRO O=C([O-])c1ccc(O)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235238644 1084356982 /nfs/dbraw/zinc/35/69/82/1084356982.db2.gz GHKTYOITFDNGLI-MRXNPFEDSA-N 1 0 318.417 2.445 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001235450724 1084434000 /nfs/dbraw/zinc/43/40/00/1084434000.db2.gz VMZSOOQPAHNUGC-UONOGXRCSA-N 1 0 323.868 2.359 20 10 DECDRO CC(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902357 1084453360 /nfs/dbraw/zinc/45/33/60/1084453360.db2.gz CROTYVSYBVRIHK-SFHVURJKSA-N 1 0 318.417 2.178 20 10 DECDRO Oc1cccc(Br)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236094968 1084611863 /nfs/dbraw/zinc/61/18/63/1084611863.db2.gz JLMYSSUVZVPFJD-PHIMTYICSA-N 1 0 311.223 2.481 20 10 DECDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C(F)F)C2)cc1C ZINC000961456187 1085738368 /nfs/dbraw/zinc/73/83/68/1085738368.db2.gz SGKPBJBSKFRIQG-UHFFFAOYSA-N 1 0 312.360 2.253 20 10 DECDRO Cc1cc(C)c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276366081 1085961948 /nfs/dbraw/zinc/96/19/48/1085961948.db2.gz YVSYZYKGLACYJP-UHFFFAOYSA-N 1 0 312.417 2.050 20 10 DECDRO COC[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490877485 1088085412 /nfs/dbraw/zinc/08/54/12/1088085412.db2.gz SHSURIFDDZGCJD-FVQBIDKESA-N 1 0 320.433 2.023 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001273206165 1090033179 /nfs/dbraw/zinc/03/31/79/1090033179.db2.gz IXMCPKULTLMEQU-INIZCTEOSA-N 1 0 315.461 2.409 20 10 DECDRO CCC[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001273211732 1090175353 /nfs/dbraw/zinc/17/53/53/1090175353.db2.gz BRTCSHLHHQBMNN-NSHDSACASA-N 1 0 305.382 2.357 20 10 DECDRO COc1cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091003 1091535789 /nfs/dbraw/zinc/53/57/89/1091535789.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 1 0 320.433 2.414 20 10 DECDRO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1 ZINC001276168823 1091628295 /nfs/dbraw/zinc/62/82/95/1091628295.db2.gz ISZFVOQMFUXIST-HOTGVXAUSA-N 1 0 317.433 2.467 20 10 DECDRO COc1cc(CN2CC3(C2)C[NH+](C2CCCC2)C3)cc(O)c1O ZINC001275962794 1092387282 /nfs/dbraw/zinc/38/72/82/1092387282.db2.gz KHODNFINGSBYPX-UHFFFAOYSA-N 1 0 318.417 2.167 20 10 DECDRO C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3O)CC2)C1 ZINC001276009415 1092502867 /nfs/dbraw/zinc/50/28/67/1092502867.db2.gz SCHYETJXJZKMAJ-UHFFFAOYSA-N 1 0 318.417 2.398 20 10 DECDRO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C(=O)[O-])cc3O)(C1)CCC2 ZINC001276009603 1092504287 /nfs/dbraw/zinc/50/42/87/1092504287.db2.gz ZXCHKALXOKPQBO-DLBZAZTESA-N 1 0 304.390 2.245 20 10 DECDRO CCOC(=O)CN(CCC[NH3+])Cc1cc(C(C)(C)C)ccc1O ZINC001236303796 1138348941 /nfs/dbraw/zinc/34/89/41/1138348941.db2.gz PFNWKYNQYQUWFL-UHFFFAOYSA-N 1 0 322.449 2.404 20 10 DECDRO Cc1cc(Br)cc(CN2C[C@@H]3CC[C@H]2C[NH2+]3)c1O ZINC001236428411 1138361050 /nfs/dbraw/zinc/36/10/50/1138361050.db2.gz TVNKBWCLBPRXJS-STQMWFEESA-N 1 0 311.223 2.399 20 10 DECDRO CN(C)C(=O)C1CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795480 1138430553 /nfs/dbraw/zinc/43/05/53/1138430553.db2.gz FFGYGKWUKBPZJX-UHFFFAOYSA-N 1 0 303.189 2.219 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c(O)c1 ZINC001236810344 1138435379 /nfs/dbraw/zinc/43/53/79/1138435379.db2.gz WKQQUANIOXDBHH-GOSISDBHSA-N 1 0 318.417 2.296 20 10 DECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236810871 1138436329 /nfs/dbraw/zinc/43/63/29/1138436329.db2.gz KOQOMOUKZHLOOF-CYBMUJFWSA-N 1 0 307.390 2.484 20 10 DECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812031 1138437314 /nfs/dbraw/zinc/43/73/14/1138437314.db2.gz YFCCNNOOVVVYOD-YPMHNXCESA-N 1 0 307.390 2.340 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1O ZINC001236925352 1138457381 /nfs/dbraw/zinc/45/73/81/1138457381.db2.gz UGUYCMMBRZKIAH-CXAGYDPISA-N 1 0 324.852 2.379 20 10 DECDRO C[NH+](C)C1(C)CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928012 1138458496 /nfs/dbraw/zinc/45/84/96/1138458496.db2.gz UAUVBZNATKGBHN-UHFFFAOYSA-N 1 0 323.868 2.313 20 10 DECDRO CN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051234 1138488784 /nfs/dbraw/zinc/48/87/84/1138488784.db2.gz IXIDADZMAXXRRS-UHFFFAOYSA-N 1 0 304.312 2.081 20 10 DECDRO CC(C)c1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(O)c1 ZINC001237049713 1138490057 /nfs/dbraw/zinc/49/00/57/1138490057.db2.gz RYTSFCDURXVTOY-UHFFFAOYSA-N 1 0 315.373 2.275 20 10 DECDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237115678 1138507072 /nfs/dbraw/zinc/50/70/72/1138507072.db2.gz HJIBKOKXIUDBTD-AOOOYVTPSA-N 1 0 303.280 2.369 20 10 DECDRO CN(Cc1c(O)cccc1OC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC001237123771 1138507859 /nfs/dbraw/zinc/50/78/59/1138507859.db2.gz SFIKZJVMNGCJOB-JTQLQIEISA-N 1 0 304.312 2.427 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CCC1 ZINC001237208440 1138531593 /nfs/dbraw/zinc/53/15/93/1138531593.db2.gz BTGUPJGYAZCBAN-UHFFFAOYSA-N 1 0 322.474 2.153 20 10 DECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2O)[C@@H]1C ZINC001237678428 1138753707 /nfs/dbraw/zinc/75/37/07/1138753707.db2.gz OCCMVWZEHOSEDQ-RISCZKNCSA-N 1 0 323.389 2.183 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC001238065784 1138819697 /nfs/dbraw/zinc/81/96/97/1138819697.db2.gz AYEKVHOESYRLNI-UHFFFAOYSA-N 1 0 308.353 2.304 20 10 DECDRO O=c1cc(-c2cnn(C3C[NH2+]C3)c2)ccn1Cc1ccccc1F ZINC001241614207 1139835230 /nfs/dbraw/zinc/83/52/30/1139835230.db2.gz LNIWVFCJNOQQFG-UHFFFAOYSA-N 1 0 324.359 2.044 20 10 DECDRO C[NH+]1CCC(n2cc(-c3ccn(CC4CC4)c(=O)c3)cn2)CC1 ZINC001242729921 1140024368 /nfs/dbraw/zinc/02/43/68/1140024368.db2.gz BLJVRIBJZFDXON-UHFFFAOYSA-N 1 0 312.417 2.389 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC001321242062 1141096257 /nfs/dbraw/zinc/09/62/57/1141096257.db2.gz VHUSZMRFLCFSFT-KBXIAJHMSA-N 1 0 305.418 2.484 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC001321242059 1141096557 /nfs/dbraw/zinc/09/65/57/1141096557.db2.gz VHUSZMRFLCFSFT-BARDWOONSA-N 1 0 305.418 2.484 20 10 DECDRO CCOc1ccc(N2CCN([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246949689 1141172466 /nfs/dbraw/zinc/17/24/66/1141172466.db2.gz PMORHKGJMQSBSU-NVXWUHKLSA-N 1 0 303.450 2.348 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN(C)C(N)=[NH2+])n2)cc1 ZINC001247535136 1141376262 /nfs/dbraw/zinc/37/62/62/1141376262.db2.gz VTVPBTCRGAFZTQ-UHFFFAOYSA-N 1 0 324.388 2.469 20 10 DECDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001322264385 1141497131 /nfs/dbraw/zinc/49/71/31/1141497131.db2.gz SUOFEVUTMIVKFF-GXTWGEPZSA-N 1 0 309.337 2.165 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001249171490 1141856399 /nfs/dbraw/zinc/85/63/99/1141856399.db2.gz CMGONZLMXHFXFM-DOTOQJQBSA-N 1 0 319.401 2.109 20 10 DECDRO COc1ccc(C[NH2+]C2(C3CC3)CCOCC2)c(O)c1OC ZINC001336750491 1142557283 /nfs/dbraw/zinc/55/72/83/1142557283.db2.gz HWDGPIMSNGXEOO-UHFFFAOYSA-N 1 0 307.390 2.458 20 10 DECDRO Nc1ccc(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001336946593 1142638210 /nfs/dbraw/zinc/63/82/10/1142638210.db2.gz KUHYOMHAJAJXLB-QGZVFWFLSA-N 1 0 312.417 2.028 20 10 DECDRO Oc1ccc(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1O ZINC001253373491 1142866296 /nfs/dbraw/zinc/86/62/96/1142866296.db2.gz YEJORNSNIAWYLF-INIZCTEOSA-N 1 0 309.312 2.242 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncoc2C2CC2)cc1 ZINC001339708873 1143084992 /nfs/dbraw/zinc/08/49/92/1143084992.db2.gz ISWUWMCWIVMLBA-AWEZNQCLSA-N 1 0 314.389 2.048 20 10 DECDRO CCOC(=O)CN1CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001254397550 1143101728 /nfs/dbraw/zinc/10/17/28/1143101728.db2.gz QYTQWAGSGACAAS-UHFFFAOYSA-N 1 0 320.433 2.126 20 10 DECDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001254580292 1143265198 /nfs/dbraw/zinc/26/51/98/1143265198.db2.gz DKBYSVIPRZESKN-ZDUSSCGKSA-N 1 0 300.314 2.263 20 10 DECDRO C[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]1 ZINC001340231431 1143305188 /nfs/dbraw/zinc/30/51/88/1143305188.db2.gz COOHJCZFHWNDTK-TZMCWYRMSA-N 1 0 302.418 2.275 20 10 DECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001340605564 1143380722 /nfs/dbraw/zinc/38/07/22/1143380722.db2.gz JCWBFFNTBIAERW-QZTJIDSGSA-N 1 0 324.424 2.429 20 10 DECDRO O=C(Cc1cccc2c1CC[NH2+]C2)NCc1c(O)cccc1F ZINC001341011769 1143522871 /nfs/dbraw/zinc/52/28/71/1143522871.db2.gz NOXAZADXHHQLJU-UHFFFAOYSA-N 1 0 314.360 2.036 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)c(O)c1 ZINC001341082111 1143537161 /nfs/dbraw/zinc/53/71/61/1143537161.db2.gz YJEDZTWYJHZBJZ-MAZHCROVSA-N 1 0 318.417 2.328 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCCN(C3CCCC3)C2)cc1O ZINC001256893933 1143873083 /nfs/dbraw/zinc/87/30/83/1143873083.db2.gz BPHUSEZVUSEQBF-KSSFIOAISA-N 1 0 320.433 2.128 20 10 DECDRO Nc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001262603233 1144322511 /nfs/dbraw/zinc/32/25/11/1144322511.db2.gz BLFIXDQASWMFJZ-INIZCTEOSA-N 1 0 302.422 2.039 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(F)F)cc1C ZINC001282085995 1144965818 /nfs/dbraw/zinc/96/58/18/1144965818.db2.gz YEJGSDURSNTECB-WDEREUQCSA-N 1 0 300.349 2.252 20 10 DECDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001290777375 1146842480 /nfs/dbraw/zinc/84/24/80/1146842480.db2.gz FZMIDKNJRCPXFF-OAHLLOKOSA-N 1 0 303.450 2.491 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c1 ZINC001308613583 1147481478 /nfs/dbraw/zinc/48/14/78/1147481478.db2.gz LOOOQLUBBQSPRS-CYBMUJFWSA-N 1 0 306.406 2.187 20 10 DECDRO COc1cccc([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001326534471 1148134490 /nfs/dbraw/zinc/13/44/90/1148134490.db2.gz LVDAQWTVAQUJGQ-NSHDSACASA-N 1 0 303.362 2.364 20 10 DECDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000078969494 185137538 /nfs/dbraw/zinc/13/75/38/185137538.db2.gz QHUMTVXOFJYGAZ-KRWDZBQOSA-N 1 0 317.477 2.487 20 10 DECDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(N2CCCCC2)cc1 ZINC000090642947 185308037 /nfs/dbraw/zinc/30/80/37/185308037.db2.gz ZJUNHHBPPKGAQY-OAHLLOKOSA-N 1 0 304.434 2.336 20 10 DECDRO COC(=O)N1CCC(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834798436 649848037 /nfs/dbraw/zinc/84/80/37/649848037.db2.gz FOWQOEZAVKUTAM-AWEZNQCLSA-N 1 0 304.390 2.448 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000072930035 191251593 /nfs/dbraw/zinc/25/15/93/191251593.db2.gz FIEHGHFSBINPTG-DLBZAZTESA-N 1 0 316.449 2.131 20 10 DECDRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465487 354403469 /nfs/dbraw/zinc/40/34/69/354403469.db2.gz IQSPLQGXUORYER-UHFFFAOYSA-N 1 0 319.449 2.076 20 10 DECDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090849013 355568178 /nfs/dbraw/zinc/56/81/78/355568178.db2.gz SSLYTDYUIZDPAV-QAPCUYQASA-N 1 0 304.434 2.479 20 10 DECDRO CCCOc1ccc(CN2CC[NH+]([C@@H](CC)CO)CC2)c(O)c1 ZINC000093740231 355686135 /nfs/dbraw/zinc/68/61/35/355686135.db2.gz WSCXMYGLOHJIFA-INIZCTEOSA-N 1 0 322.449 2.070 20 10 DECDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)C)cc2F)CC1 ZINC000106702121 194244525 /nfs/dbraw/zinc/24/45/25/194244525.db2.gz VKVDSRQMGPGQMQ-UHFFFAOYSA-N 1 0 307.413 2.240 20 10 DECDRO Oc1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCCC1)OCO2 ZINC000172485445 285382038 /nfs/dbraw/zinc/38/20/38/285382038.db2.gz JIUXOWIWDQSZQU-CQSZACIVSA-N 1 0 304.390 2.181 20 10 DECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc(OC)c1O)C2 ZINC000378634889 533638361 /nfs/dbraw/zinc/63/83/61/533638361.db2.gz SFVBUCZXGFXJRK-GUYCJALGSA-N 1 0 305.374 2.176 20 10 DECDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000272298008 130016928 /nfs/dbraw/zinc/01/69/28/130016928.db2.gz IERQRBIYZRYQRZ-CQSZACIVSA-N 1 0 304.390 2.121 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000273174755 130094723 /nfs/dbraw/zinc/09/47/23/130094723.db2.gz WTJYYWLZXZYPBE-INIZCTEOSA-N 1 0 301.386 2.484 20 10 DECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000273566786 130138113 /nfs/dbraw/zinc/13/81/13/130138113.db2.gz JSBHTBPSOLXWPD-SCZZXKLOSA-N 1 0 313.195 2.036 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1O ZINC000275715145 130369332 /nfs/dbraw/zinc/36/93/32/130369332.db2.gz YOOJROIFSUMALV-BBRMVZONSA-N 1 0 317.389 2.144 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c(O)c1 ZINC000285407187 131164976 /nfs/dbraw/zinc/16/49/76/131164976.db2.gz XMQZZHGPAKSATD-HNNXBMFYSA-N 1 0 323.433 2.218 20 10 DECDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000285420328 131166771 /nfs/dbraw/zinc/16/67/71/131166771.db2.gz GPLQKLAROFSPNL-OAHLLOKOSA-N 1 0 303.406 2.162 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000288427561 131325389 /nfs/dbraw/zinc/32/53/89/131325389.db2.gz BMRIVGQDBPDPHO-KSSFIOAISA-N 1 0 315.369 2.375 20 10 DECDRO O=C(NCc1ccccc1O)NC1CC[NH+](CC2CC2)CC1 ZINC000299479377 132107594 /nfs/dbraw/zinc/10/75/94/132107594.db2.gz GIWVBSJPXOFADL-UHFFFAOYSA-N 1 0 303.406 2.066 20 10 DECDRO CCOC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000126975629 401715278 /nfs/dbraw/zinc/71/52/78/401715278.db2.gz QVROALCQDDZDES-UHFFFAOYSA-N 1 0 304.390 2.332 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000092756629 402008557 /nfs/dbraw/zinc/00/85/57/402008557.db2.gz KBOJTOZNQQHHPC-IBGZPJMESA-N 1 0 315.461 2.193 20 10 DECDRO C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122392591 402076551 /nfs/dbraw/zinc/07/65/51/402076551.db2.gz LIVHKYIIQBXOFA-UPJWGTAASA-N 1 0 306.406 2.018 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000102827312 402172782 /nfs/dbraw/zinc/17/27/82/402172782.db2.gz KCGXGZYUXOJSIB-HNNXBMFYSA-N 1 0 306.381 2.404 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000184680425 402290996 /nfs/dbraw/zinc/29/09/96/402290996.db2.gz LUVGHXUYBRBLRW-UHFFFAOYSA-N 1 0 312.797 2.142 20 10 DECDRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185343844 402345437 /nfs/dbraw/zinc/34/54/37/402345437.db2.gz YJCKBEWUQORPNW-UONOGXRCSA-N 1 0 309.429 2.065 20 10 DECDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000162694980 402429192 /nfs/dbraw/zinc/42/91/92/402429192.db2.gz VHCOXJJDNUKSJA-CYBMUJFWSA-N 1 0 315.373 2.364 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc21 ZINC000166473958 402484974 /nfs/dbraw/zinc/48/49/74/402484974.db2.gz OXOJUHUXKSMMDZ-SFHVURJKSA-N 1 0 323.440 2.255 20 10 DECDRO O=C1OCC[C@@H]1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246294911 402523662 /nfs/dbraw/zinc/52/36/62/402523662.db2.gz AQBXFLOIKJPVES-GOEBONIOSA-N 1 0 319.401 2.326 20 10 DECDRO Cc1nc(CN2CC[NH+](Cc3ccccc3O)CC2)oc1C ZINC000179569854 402595076 /nfs/dbraw/zinc/59/50/76/402595076.db2.gz KIKNPAIPILNSJQ-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO COc1ccc(O)c(C[N@H+](CCO)Cc2ccccc2OC)c1 ZINC000179752314 402599703 /nfs/dbraw/zinc/59/97/03/402599703.db2.gz ABVBBXHGDIBOAO-UHFFFAOYSA-N 1 0 317.385 2.404 20 10 DECDRO COc1cccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1O ZINC000173386637 402695519 /nfs/dbraw/zinc/69/55/19/402695519.db2.gz XVEMOMMXFGNOLV-UHFFFAOYSA-N 1 0 321.421 2.073 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccn1 ZINC000262629610 402728424 /nfs/dbraw/zinc/72/84/24/402728424.db2.gz LZEPEHFLNNHXSS-CVEARBPZSA-N 1 0 324.428 2.456 20 10 DECDRO COc1cccc(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)c1O ZINC000263668135 402788840 /nfs/dbraw/zinc/78/88/40/402788840.db2.gz JEOSJPJXPHUYKG-UHFFFAOYSA-N 1 0 319.357 2.413 20 10 DECDRO Cc1ccc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278785270 402870417 /nfs/dbraw/zinc/87/04/17/402870417.db2.gz VLEPWQZBNIRSKN-HNNXBMFYSA-N 1 0 304.434 2.386 20 10 DECDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)C(F)(F)F ZINC000271795482 402884297 /nfs/dbraw/zinc/88/42/97/402884297.db2.gz HSYJXJGMMFHWFB-TVQRCGJNSA-N 1 0 323.311 2.201 20 10 DECDRO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000271878171 402884996 /nfs/dbraw/zinc/88/49/96/402884996.db2.gz UHVIRGBZMYAKHR-WBVHZDCISA-N 1 0 315.417 2.380 20 10 DECDRO C[C@H]1OCC[C@]12CN(Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC000279625928 402960683 /nfs/dbraw/zinc/96/06/83/402960683.db2.gz HLAGEDOLOPQMEY-DYVFJYSZSA-N 1 0 308.397 2.272 20 10 DECDRO C[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]1 ZINC000279866383 402965347 /nfs/dbraw/zinc/96/53/47/402965347.db2.gz COOHJCZFHWNDTK-JSGCOSHPSA-N 1 0 302.418 2.275 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280565717 403013610 /nfs/dbraw/zinc/01/36/10/403013610.db2.gz VIZFMDFZFYYISG-DCGLDWPTSA-N 1 0 307.390 2.169 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000280972437 403055962 /nfs/dbraw/zinc/05/59/62/403055962.db2.gz LKTWJYROWQMOCZ-GXTWGEPZSA-N 1 0 306.406 2.310 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c(O)c1 ZINC000281489481 403069721 /nfs/dbraw/zinc/06/97/21/403069721.db2.gz VYTHVWSQSWSLQR-ZDUSSCGKSA-N 1 0 306.406 2.282 20 10 DECDRO CS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000281764768 403089629 /nfs/dbraw/zinc/08/96/29/403089629.db2.gz CVYNNIJZZKBDLB-ZDUSSCGKSA-N 1 0 305.399 2.164 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)cc1 ZINC000268925997 403121526 /nfs/dbraw/zinc/12/15/26/403121526.db2.gz WAMHFEVACCZEDX-CXAGYDPISA-N 1 0 302.422 2.260 20 10 DECDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000277256742 403198487 /nfs/dbraw/zinc/19/84/87/403198487.db2.gz KWKGVVAZMZESGJ-IZPAUZPXSA-N 1 0 304.390 2.054 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000271099523 403264028 /nfs/dbraw/zinc/26/40/28/403264028.db2.gz JVCRUAUSKRCCOR-HNNXBMFYSA-N 1 0 320.433 2.099 20 10 DECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294887505 403736796 /nfs/dbraw/zinc/73/67/96/403736796.db2.gz ILNLGKSCHYPSMX-LLVKDONJSA-N 1 0 310.369 2.041 20 10 DECDRO C[C@@H]([NH2+]C1CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294978933 403738780 /nfs/dbraw/zinc/73/87/80/403738780.db2.gz GTROANAIMXDIRC-CJNGLKHVSA-N 1 0 318.417 2.040 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289832410 404002414 /nfs/dbraw/zinc/00/24/14/404002414.db2.gz UJBXQJXMEPJZRC-YPMHNXCESA-N 1 0 319.323 2.394 20 10 DECDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Cl ZINC000289846052 404003877 /nfs/dbraw/zinc/00/38/77/404003877.db2.gz UUMQXFSYURVDTN-STQMWFEESA-N 1 0 310.825 2.341 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000296021112 404053828 /nfs/dbraw/zinc/05/38/28/404053828.db2.gz MJFCDUMEAPOTNY-HIFRSBDPSA-N 1 0 307.413 2.416 20 10 DECDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000291367812 404383477 /nfs/dbraw/zinc/38/34/77/404383477.db2.gz ZAWVHWIJYOTMBJ-UHFFFAOYSA-N 1 0 323.412 2.124 20 10 DECDRO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)NCCc1ccccc1 ZINC000296967026 404393301 /nfs/dbraw/zinc/39/33/01/404393301.db2.gz RJJCGZKJQWHKAL-INIZCTEOSA-N 1 0 310.397 2.328 20 10 DECDRO COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000367228546 404975048 /nfs/dbraw/zinc/97/50/48/404975048.db2.gz KPCCJPYILNNCQV-AWEZNQCLSA-N 1 0 306.406 2.080 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](C)CC1 ZINC000349121543 226658580 /nfs/dbraw/zinc/65/85/80/226658580.db2.gz FBPQGQYCQUGPIS-UHFFFAOYSA-N 1 0 314.433 2.380 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377241278 227184594 /nfs/dbraw/zinc/18/45/94/227184594.db2.gz QDXVZKMJPWIXNB-QZTJIDSGSA-N 1 0 316.445 2.382 20 10 DECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000377721191 227197780 /nfs/dbraw/zinc/19/77/80/227197780.db2.gz SRRGRMLUELJSBX-IUODEOHRSA-N 1 0 310.825 2.341 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000834849987 649854205 /nfs/dbraw/zinc/85/42/05/649854205.db2.gz HXZUZOZIZKXXPW-YJBOKZPZSA-N 1 0 305.466 2.250 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000834862724 649855700 /nfs/dbraw/zinc/85/57/00/649855700.db2.gz XMNHXDSTOVEVNU-LSDHHAIUSA-N 1 0 312.417 2.346 20 10 DECDRO COCC(COC)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000834893085 649858275 /nfs/dbraw/zinc/85/82/75/649858275.db2.gz STXPYGQYARXWSO-VIFPVBQESA-N 1 0 318.211 2.467 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1F ZINC000288471943 273821308 /nfs/dbraw/zinc/82/13/08/273821308.db2.gz FUVVCYLADFEAJI-YJBOKZPZSA-N 1 0 316.376 2.476 20 10 DECDRO COc1cccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000093741712 274145302 /nfs/dbraw/zinc/14/53/02/274145302.db2.gz IWHSQCCKQDSUHK-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@]1(O)CCc3ccccc31)OCO2 ZINC000132223350 275060820 /nfs/dbraw/zinc/06/08/20/275060820.db2.gz LCASPYUWXCCJFS-GOSISDBHSA-N 1 0 313.353 2.045 20 10 DECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000372045441 533990046 /nfs/dbraw/zinc/99/00/46/533990046.db2.gz CLGIFZANNKSGIO-GOEBONIOSA-N 1 0 313.449 2.416 20 10 DECDRO COc1ccc(N2CCC[N@H+](CC[C@H]3CCOC3=O)CC2)cc1 ZINC000247013080 534001627 /nfs/dbraw/zinc/00/16/27/534001627.db2.gz SCJPSMBHZHQLNR-HNNXBMFYSA-N 1 0 318.417 2.161 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373642284 534200852 /nfs/dbraw/zinc/20/08/52/534200852.db2.gz ULWBCQWTIIGDPK-GUYCJALGSA-N 1 0 307.390 2.171 20 10 DECDRO CC[C@H](CO)[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835029259 649869215 /nfs/dbraw/zinc/86/92/15/649869215.db2.gz RWODLWNBRZDIOP-DUMMIQTOSA-N 1 0 317.477 2.154 20 10 DECDRO C[C@@H](CN1CCCC1=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036089 649869841 /nfs/dbraw/zinc/86/98/41/649869841.db2.gz OFUNXIVVJIGGAK-DRDHIDPGSA-N 1 0 301.434 2.366 20 10 DECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181186050 519730634 /nfs/dbraw/zinc/73/06/34/519730634.db2.gz BWFBRBAQVFSKHF-DRDHIDPGSA-N 1 0 318.417 2.205 20 10 DECDRO CCCOc1ccc(C[N@H+](CCC)CC(=O)N(C)C)c(O)c1 ZINC000156005576 520346213 /nfs/dbraw/zinc/34/62/13/520346213.db2.gz URTOJLBZQWPYDQ-UHFFFAOYSA-N 1 0 308.422 2.481 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC000180411302 520379895 /nfs/dbraw/zinc/37/98/95/520379895.db2.gz UEZDZKQQWOFPTH-IAGOWNOFSA-N 1 0 321.417 2.153 20 10 DECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC000093614180 520554271 /nfs/dbraw/zinc/55/42/71/520554271.db2.gz XNVYBQKWQBSTBW-SJORKVTESA-N 1 0 305.418 2.453 20 10 DECDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182525261 520725023 /nfs/dbraw/zinc/72/50/23/520725023.db2.gz HYIZONGMVOAXMK-ZDUSSCGKSA-N 1 0 306.406 2.210 20 10 DECDRO CCOc1cccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1O ZINC000188740963 521341467 /nfs/dbraw/zinc/34/14/67/521341467.db2.gz WOOCXHLELVOOTG-AWEZNQCLSA-N 1 0 322.449 2.068 20 10 DECDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181171649 521721899 /nfs/dbraw/zinc/72/18/99/521721899.db2.gz UXHWDWNGHRAMPV-JGNQBTRVSA-N 1 0 316.401 2.196 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265879561 522210777 /nfs/dbraw/zinc/21/07/77/522210777.db2.gz OEHDBGXDVINKJZ-GDBMZVCRSA-N 1 0 310.463 2.198 20 10 DECDRO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccccc1O ZINC000156764963 522561136 /nfs/dbraw/zinc/56/11/36/522561136.db2.gz ZBELJKICROPZQU-INIZCTEOSA-N 1 0 320.433 2.460 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1C ZINC000237256311 524074139 /nfs/dbraw/zinc/07/41/39/524074139.db2.gz XELIVWNLWUEUEU-ZDUSSCGKSA-N 1 0 302.374 2.391 20 10 DECDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000237765217 524137527 /nfs/dbraw/zinc/13/75/27/524137527.db2.gz CTYHVYOTAWQFIK-SFHVURJKSA-N 1 0 312.417 2.346 20 10 DECDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C[NH+]1CCCCC1 ZINC000180682407 524367496 /nfs/dbraw/zinc/36/74/96/524367496.db2.gz YSUZXBRFVWYQIG-IZPAUZPXSA-N 1 0 318.417 2.349 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1 ZINC000182390648 524764166 /nfs/dbraw/zinc/76/41/66/524764166.db2.gz JRYIGDGTSLGGDK-GFCCVEGCSA-N 1 0 306.406 2.310 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000363870437 524774441 /nfs/dbraw/zinc/77/44/41/524774441.db2.gz VKXAVYVRBSWONX-STQMWFEESA-N 1 0 316.405 2.064 20 10 DECDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155668856 525469559 /nfs/dbraw/zinc/46/95/59/525469559.db2.gz VPLPPFVAIORTBQ-CQSZACIVSA-N 1 0 318.396 2.210 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(=O)NC2CCCC2)cc1 ZINC000835035377 649870051 /nfs/dbraw/zinc/87/00/51/649870051.db2.gz CEZDZVFXXIYOIE-AATRIKPKSA-N 1 0 301.434 2.414 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1F ZINC000377847230 528298733 /nfs/dbraw/zinc/29/87/33/528298733.db2.gz KPSVOOTZRPQDSU-CQSZACIVSA-N 1 0 307.413 2.369 20 10 DECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1C ZINC000289377924 536318277 /nfs/dbraw/zinc/31/82/77/536318277.db2.gz CALSCTQBRTZYGY-MBNYWOFBSA-N 1 0 307.390 2.468 20 10 DECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041542 649870371 /nfs/dbraw/zinc/87/03/71/649870371.db2.gz MVANPLDIZPTSGI-WBXGCANISA-N 1 0 301.434 2.270 20 10 DECDRO COC1CCN(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835044004 649870765 /nfs/dbraw/zinc/87/07/65/649870765.db2.gz FSKYRQGLYCTFRH-SNAWJCMRSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000835043341 649870802 /nfs/dbraw/zinc/87/08/02/649870802.db2.gz PEICIXVVISYUJV-OAJJDEHYSA-N 1 0 304.434 2.145 20 10 DECDRO COC(=O)C[C@@]1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835046611 649871288 /nfs/dbraw/zinc/87/12/88/649871288.db2.gz LGQBHARIWGGXRZ-WRFKIARRSA-N 1 0 318.417 2.078 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000835055813 649873023 /nfs/dbraw/zinc/87/30/23/649873023.db2.gz ZMJMRGDWKJYXTA-ORUDLHBZSA-N 1 0 317.477 2.202 20 10 DECDRO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](CO)O1 ZINC001327572889 1148589490 /nfs/dbraw/zinc/58/94/90/1148589490.db2.gz JELDCNAUYUHWQL-KRWDZBQOSA-N 1 0 304.434 2.259 20 10 DECDRO O=[S@](CC[NH2+]Cc1ccc(Cl)cc1O)CC(F)(F)F ZINC001474626096 1152558176 /nfs/dbraw/zinc/55/81/76/1152558176.db2.gz SNLHGKOGCSCIQE-LJQANCHMSA-N 1 0 315.744 2.446 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2F)CC1 ZINC001330534306 1149181107 /nfs/dbraw/zinc/18/11/07/1149181107.db2.gz XUKQUHYOQQYSCI-KRWDZBQOSA-N 1 0 321.440 2.235 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000169091507 625345766 /nfs/dbraw/zinc/34/57/66/625345766.db2.gz DYXREEIKHZXJQN-AYLIAGHASA-N 1 0 305.827 2.301 20 10 DECDRO CCC(CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740616 623198623 /nfs/dbraw/zinc/19/86/23/623198623.db2.gz JOYQFHZOFZZDCS-UHFFFAOYSA-N 1 0 303.450 2.491 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000840831871 623242109 /nfs/dbraw/zinc/24/21/09/623242109.db2.gz JJBOCZGRNUPMMY-LSDHHAIUSA-N 1 0 301.434 2.464 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891250506 623795843 /nfs/dbraw/zinc/79/58/43/623795843.db2.gz APGYUMDZBABRQE-HOCLYGCPSA-N 1 0 321.490 2.225 20 10 DECDRO Cc1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891250742 623796769 /nfs/dbraw/zinc/79/67/69/623796769.db2.gz ZPCPENFEDLORMV-OAHLLOKOSA-N 1 0 316.405 2.082 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccn2C)[NH+](C)C)cc1 ZINC000891255661 623805444 /nfs/dbraw/zinc/80/54/44/623805444.db2.gz QWBDYWWZCGLATJ-QGZVFWFLSA-N 1 0 314.433 2.124 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000891534822 624471353 /nfs/dbraw/zinc/47/13/53/624471353.db2.gz QMEZLFLZWIVTQM-JSGCOSHPSA-N 1 0 322.428 2.303 20 10 DECDRO COc1ccc(C[NH2+]CCN2CCC(C)CC2)c(O)c1OC ZINC000892577046 625164153 /nfs/dbraw/zinc/16/41/53/625164153.db2.gz NETRERILGRBUEU-UHFFFAOYSA-N 1 0 308.422 2.231 20 10 DECDRO CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465481 625185921 /nfs/dbraw/zinc/18/59/21/625185921.db2.gz OIMFYJBBKVARGS-OAHLLOKOSA-N 1 0 319.449 2.122 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)c2c1c(F)ccc2O ZINC000840884603 625192075 /nfs/dbraw/zinc/19/20/75/625192075.db2.gz RWDDMPYLTDKYEQ-BXKDBHETSA-N 1 0 313.394 2.246 20 10 DECDRO COCCCNC(=O)C[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000122487889 625766151 /nfs/dbraw/zinc/76/61/51/625766151.db2.gz XWIGYESRYIXBDJ-UHFFFAOYSA-N 1 0 322.449 2.409 20 10 DECDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000892486127 625875043 /nfs/dbraw/zinc/87/50/43/625875043.db2.gz RROFNVRWHQVFNJ-ZDUSSCGKSA-N 1 0 322.428 2.175 20 10 DECDRO COCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093103591 633509783 /nfs/dbraw/zinc/50/97/83/633509783.db2.gz RFIUXJIYFIVAIP-UHFFFAOYSA-N 1 0 304.434 2.382 20 10 DECDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000188645448 633784555 /nfs/dbraw/zinc/78/45/55/633784555.db2.gz BCQRNURBIGLJDE-GFCCVEGCSA-N 1 0 322.405 2.357 20 10 DECDRO CC[N@@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000977663565 634091337 /nfs/dbraw/zinc/09/13/37/634091337.db2.gz SKVZCCWGUHZYFW-ZDUSSCGKSA-N 1 0 317.393 2.309 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000840941078 634960951 /nfs/dbraw/zinc/96/09/51/634960951.db2.gz QVCGIKJWFULCFE-QGZVFWFLSA-N 1 0 324.490 2.460 20 10 DECDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]C(C)C)C2)cc(OC)n1 ZINC000981198947 635362543 /nfs/dbraw/zinc/36/25/43/635362543.db2.gz METILCROGVPRPK-KGLIPLIRSA-N 1 0 321.421 2.138 20 10 DECDRO CCOc1ccc(O)c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000840975385 635995417 /nfs/dbraw/zinc/99/54/17/635995417.db2.gz GPVKCLNCABVPFT-CQSZACIVSA-N 1 0 306.406 2.280 20 10 DECDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2[O-])CN1 ZINC000894095822 636111386 /nfs/dbraw/zinc/11/13/86/636111386.db2.gz SNWYWWLEGZNEKK-YGRLFVJLSA-N 1 0 310.344 2.161 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000922419882 636164885 /nfs/dbraw/zinc/16/48/85/636164885.db2.gz SRHMLBVANSCTEG-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCO2 ZINC000922464571 636188468 /nfs/dbraw/zinc/18/84/68/636188468.db2.gz VWPRBKLIJCLWIN-ZANVPECISA-N 1 0 319.279 2.320 20 10 DECDRO CCOc1cccc(CNc2cnn(CC[NH+](C)C)c2)c1O ZINC000236968274 636193979 /nfs/dbraw/zinc/19/39/79/636193979.db2.gz VWRCXKMSPKYZFW-UHFFFAOYSA-N 1 0 304.394 2.161 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1O ZINC000922525048 636218527 /nfs/dbraw/zinc/21/85/27/636218527.db2.gz ODNMRNZVDYYEGP-LSDHHAIUSA-N 1 0 322.474 2.460 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1O ZINC000922612122 636281472 /nfs/dbraw/zinc/28/14/72/636281472.db2.gz WRPACCMHXMMTGJ-KRWDZBQOSA-N 1 0 309.406 2.465 20 10 DECDRO COC[C@@H](C)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894207974 636435211 /nfs/dbraw/zinc/43/52/11/636435211.db2.gz BXHFPNKZXLIVRF-NSHDSACASA-N 1 0 322.380 2.476 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000894285121 636688159 /nfs/dbraw/zinc/68/81/59/636688159.db2.gz JGRRVNKVDIQECD-LXZKKBNFSA-N 1 0 316.449 2.159 20 10 DECDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCCSc2nccs2)C1(F)F ZINC000894303052 636755919 /nfs/dbraw/zinc/75/59/19/636755919.db2.gz GDRWZUGWPAJTBL-IUCAKERBSA-N 1 0 322.402 2.269 20 10 DECDRO CCOCCOCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922945980 636877531 /nfs/dbraw/zinc/87/75/31/636877531.db2.gz YQRJTGUJVMVHEO-UHFFFAOYSA-N 1 0 302.365 2.174 20 10 DECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951723 636879970 /nfs/dbraw/zinc/87/99/70/636879970.db2.gz ZQXGDPKSQNZARU-CYBMUJFWSA-N 1 0 310.825 2.389 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1F ZINC000922950924 636880294 /nfs/dbraw/zinc/88/02/94/636880294.db2.gz RILRRSVGUMNWGQ-MRXNPFEDSA-N 1 0 321.440 2.235 20 10 DECDRO c1cc2c(cc1C[NH2+]C[C@@H]1CCN1C1CCOCC1)CCCO2 ZINC000922956513 636884121 /nfs/dbraw/zinc/88/41/21/636884121.db2.gz UZOYFUKHLLVSOM-SFHVURJKSA-N 1 0 316.445 2.355 20 10 DECDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756578061 636902770 /nfs/dbraw/zinc/90/27/70/636902770.db2.gz WJNZKKNXUVQGDH-RNCFNFMXSA-N 1 0 318.211 2.203 20 10 DECDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCOCC2 ZINC000923019005 636918146 /nfs/dbraw/zinc/91/81/46/636918146.db2.gz LQIOEYODBUNCSF-DLBZAZTESA-N 1 0 303.402 2.031 20 10 DECDRO C[C@]1(C[NH3+])CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841858468 636988981 /nfs/dbraw/zinc/98/89/81/636988981.db2.gz ZIFUAFBLKNDOAH-CYBMUJFWSA-N 1 0 314.480 2.006 20 10 DECDRO COc1ccc(C[N@H+](CCN(C)C)CC(C)C)c(O)c1OC ZINC000894450061 637041013 /nfs/dbraw/zinc/04/10/13/637041013.db2.gz QVBNDJZXMFOQEC-UHFFFAOYSA-N 1 0 310.438 2.429 20 10 DECDRO COc1cc(Br)cc(C[N@H+](CCO)C2CC2)c1O ZINC000305724168 637260297 /nfs/dbraw/zinc/26/02/97/637260297.db2.gz FMVSDAMOKPMYIB-UHFFFAOYSA-N 1 0 316.195 2.120 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000894939674 637340321 /nfs/dbraw/zinc/34/03/21/637340321.db2.gz NTFLSICXSNHIMS-KTAKPFMOSA-N 1 0 324.490 2.157 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H]3COC(C)(C)O3)C2)cc1 ZINC000895006158 637368309 /nfs/dbraw/zinc/36/83/09/637368309.db2.gz NMFSKMXJLJHXPN-PBHICJAKSA-N 1 0 320.433 2.263 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)OCO2 ZINC000738158156 637396202 /nfs/dbraw/zinc/39/62/02/637396202.db2.gz KYFCVGUCIPBLJT-CYBMUJFWSA-N 1 0 301.346 2.155 20 10 DECDRO CN(C)c1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727073520 637674171 /nfs/dbraw/zinc/67/41/71/637674171.db2.gz YTIZQOMERQMYOB-UHFFFAOYSA-N 1 0 322.522 2.305 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1O ZINC000895238096 637828356 /nfs/dbraw/zinc/82/83/56/637828356.db2.gz VLALWODVBQRYBE-FVQBIDKESA-N 1 0 323.433 2.365 20 10 DECDRO CO[C@H](C)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000839496079 637893117 /nfs/dbraw/zinc/89/31/17/637893117.db2.gz WYZQILFETKYOBW-OAHLLOKOSA-N 1 0 321.465 2.114 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1 ZINC000895343485 637949570 /nfs/dbraw/zinc/94/95/70/637949570.db2.gz SCFSUEMYUDKKGE-KRWDZBQOSA-N 1 0 316.449 2.132 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000840914475 650379764 /nfs/dbraw/zinc/37/97/64/650379764.db2.gz UJFMYBIUYYBGEL-CVEARBPZSA-N 1 0 324.852 2.385 20 10 DECDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000840917271 650379869 /nfs/dbraw/zinc/37/98/69/650379869.db2.gz PMBPVRCEBPLHOW-KRWDZBQOSA-N 1 0 317.477 2.215 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000840937803 650390475 /nfs/dbraw/zinc/39/04/75/650390475.db2.gz YAJVYRQUTHQUJP-FUHWJXTLSA-N 1 0 304.434 2.489 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000840939563 650390531 /nfs/dbraw/zinc/39/05/31/650390531.db2.gz NUGWKTIRCCNDQO-SFHVURJKSA-N 1 0 322.449 2.243 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000895586360 638097298 /nfs/dbraw/zinc/09/72/98/638097298.db2.gz UFMADJXITWOFAJ-CQSZACIVSA-N 1 0 305.374 2.243 20 10 DECDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000742807749 638097899 /nfs/dbraw/zinc/09/78/99/638097899.db2.gz PQWZNXUBJAFXPG-UHFFFAOYSA-N 1 0 321.490 2.196 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1OC ZINC000840963357 650395547 /nfs/dbraw/zinc/39/55/47/650395547.db2.gz RDAWTJRDOUQQGM-NVXWUHKLSA-N 1 0 323.433 2.109 20 10 DECDRO OC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1O ZINC000840976387 650399064 /nfs/dbraw/zinc/39/90/64/650399064.db2.gz VOCDKUVKEPFFRW-PKOBYXMFSA-N 1 0 313.397 2.234 20 10 DECDRO CCOc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(O)c1 ZINC000841893466 638215639 /nfs/dbraw/zinc/21/56/39/638215639.db2.gz FQTACOAHMMBZSP-LBPRGKRZSA-N 1 0 300.349 2.220 20 10 DECDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895859655 638237354 /nfs/dbraw/zinc/23/73/54/638237354.db2.gz UZZGEEQKFYJYCA-UKRRQHHQSA-N 1 0 309.406 2.240 20 10 DECDRO Nc1ccc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000841034539 650410028 /nfs/dbraw/zinc/41/00/28/650410028.db2.gz HIFMMVLIBVOJNM-UHFFFAOYSA-N 1 0 301.356 2.428 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(O)c1OC ZINC000896060544 638332276 /nfs/dbraw/zinc/33/22/76/638332276.db2.gz KNXXWVNFPQOYER-TZMCWYRMSA-N 1 0 307.390 2.410 20 10 DECDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896113142 638359741 /nfs/dbraw/zinc/35/97/41/638359741.db2.gz ZWXYYQYFMUYNHJ-NSHDSACASA-N 1 0 320.414 2.479 20 10 DECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000896125330 638369262 /nfs/dbraw/zinc/36/92/62/638369262.db2.gz PVZNSEGHSGKZQG-SKDRFNHKSA-N 1 0 313.781 2.486 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@H]3CNCC[C@@H]3C)CC2)cc1 ZINC000841057651 650417010 /nfs/dbraw/zinc/41/70/10/650417010.db2.gz BUPKPDWWPBHULE-KSSFIOAISA-N 1 0 303.450 2.252 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1cn(C)nc1Br ZINC000896280723 638447907 /nfs/dbraw/zinc/44/79/07/638447907.db2.gz BKXHVYRLBXKNDM-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1 ZINC000896433392 638512397 /nfs/dbraw/zinc/51/23/97/638512397.db2.gz XBDMCSKLYSYOEM-LSDHHAIUSA-N 1 0 308.447 2.070 20 10 DECDRO COc1cccc(O)c1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000841104718 650432020 /nfs/dbraw/zinc/43/20/20/650432020.db2.gz YKGKXJWKHCZKEJ-XJKSGUPXSA-N 1 0 316.376 2.467 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1C ZINC000897013871 639125704 /nfs/dbraw/zinc/12/57/04/639125704.db2.gz NPYYVVHCFQRTAW-UHFFFAOYSA-N 1 0 304.390 2.474 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000897176201 639224883 /nfs/dbraw/zinc/22/48/83/639224883.db2.gz PREKZGUAOXJOFS-MRXNPFEDSA-N 1 0 305.418 2.454 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H]3C[C@@H]3C)CC2)cc1 ZINC000754131291 639392413 /nfs/dbraw/zinc/39/24/13/639392413.db2.gz VAXKKNVBLFPPTM-DLBZAZTESA-N 1 0 317.477 2.453 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000754732460 639465906 /nfs/dbraw/zinc/46/59/06/639465906.db2.gz NSPLXWSFXUQPDW-AWEZNQCLSA-N 1 0 307.390 2.437 20 10 DECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000897341412 639513589 /nfs/dbraw/zinc/51/35/89/639513589.db2.gz DBUSHWBSHJFJFM-INIZCTEOSA-N 1 0 302.418 2.406 20 10 DECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000897341767 639515141 /nfs/dbraw/zinc/51/51/41/639515141.db2.gz LFEPQPAXFPVMDM-OAHLLOKOSA-N 1 0 306.406 2.104 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC2(CC)CC)c(O)c1 ZINC000897344421 639522569 /nfs/dbraw/zinc/52/25/69/639522569.db2.gz BYORAELKQWOFJA-OAHLLOKOSA-N 1 0 306.406 2.185 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000756398151 639658306 /nfs/dbraw/zinc/65/83/06/639658306.db2.gz CEFWYWPWWBGTBF-HZSPNIEDSA-N 1 0 308.422 2.161 20 10 DECDRO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000756408220 639660008 /nfs/dbraw/zinc/66/00/08/639660008.db2.gz LGPNSSWFLXDMGE-AWEZNQCLSA-N 1 0 309.429 2.210 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2c1c(F)ccc2O ZINC000756474964 639665088 /nfs/dbraw/zinc/66/50/88/639665088.db2.gz FHTINGHRXIPVGR-APPZFPTMSA-N 1 0 320.286 2.348 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]CCN2CCOC[C@H]2C)c2c1c(F)ccc2O ZINC000756536839 639670374 /nfs/dbraw/zinc/67/03/74/639670374.db2.gz VZJQQAISWNVENH-BZPMIXESSA-N 1 0 308.397 2.390 20 10 DECDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756592944 639678238 /nfs/dbraw/zinc/67/82/38/639678238.db2.gz KFHIRWXMUBMDQJ-KOLCDFICSA-N 1 0 318.211 2.203 20 10 DECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1C ZINC000756786023 639694900 /nfs/dbraw/zinc/69/49/00/639694900.db2.gz HYBBEVRSRCCQRY-OFQRWUPVSA-N 1 0 320.433 2.295 20 10 DECDRO CC(C)[NH+](CCNC(=O)NCCc1ccc(N)cc1)C(C)C ZINC000841618857 650524445 /nfs/dbraw/zinc/52/44/45/650524445.db2.gz IMVLOEFEAYUQLO-UHFFFAOYSA-N 1 0 306.454 2.229 20 10 DECDRO COCC1(O)CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000758370233 639952154 /nfs/dbraw/zinc/95/21/54/639952154.db2.gz GQNVNHRQROIPLT-UHFFFAOYSA-N 1 0 323.433 2.369 20 10 DECDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841793515 650565681 /nfs/dbraw/zinc/56/56/81/650565681.db2.gz MAGMGTPANMAWQU-MRXNPFEDSA-N 1 0 318.465 2.459 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841793055 650565437 /nfs/dbraw/zinc/56/54/37/650565437.db2.gz IRFGVGIUIYIDDB-MRXNPFEDSA-N 1 0 316.449 2.084 20 10 DECDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000841792761 650565562 /nfs/dbraw/zinc/56/55/62/650565562.db2.gz FCQICXRFWVHPAS-HNNXBMFYSA-N 1 0 318.465 2.317 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000841826297 650572179 /nfs/dbraw/zinc/57/21/79/650572179.db2.gz GVMZROKOCAAHQU-RHSMWYFYSA-N 1 0 318.465 2.472 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[NH3+])cc1F ZINC000841799640 650567582 /nfs/dbraw/zinc/56/75/82/650567582.db2.gz ZCJDZNJYPUXAIS-LBPRGKRZSA-N 1 0 310.417 2.208 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1O ZINC000762788782 640459819 /nfs/dbraw/zinc/45/98/19/640459819.db2.gz XKOXZZDMHFSKCQ-UHFFFAOYSA-N 1 0 305.827 2.267 20 10 DECDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787915 640459947 /nfs/dbraw/zinc/45/99/47/640459947.db2.gz OADRMJVFLFQBCG-QFBILLFUSA-N 1 0 317.477 2.394 20 10 DECDRO C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841880975 650591155 /nfs/dbraw/zinc/59/11/55/650591155.db2.gz LJGSNUFKDVJWIA-ZDUSSCGKSA-N 1 0 304.438 2.255 20 10 DECDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882954 650592153 /nfs/dbraw/zinc/59/21/53/650592153.db2.gz PYPBNISGGNGGQX-KBPBESRZSA-N 1 0 304.438 2.194 20 10 DECDRO C[C@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841881951 650592366 /nfs/dbraw/zinc/59/23/66/650592366.db2.gz FOFDHSGOXQJPMR-ZDUSSCGKSA-N 1 0 304.438 2.194 20 10 DECDRO Cc1cc(Cl)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841890581 650594403 /nfs/dbraw/zinc/59/44/03/650594403.db2.gz CUVBUOXYDAWTHC-OLZOCXBDSA-N 1 0 312.841 2.241 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000841919490 650602680 /nfs/dbraw/zinc/60/26/80/650602680.db2.gz ALKRPKZUDFVFBT-OAHLLOKOSA-N 1 0 304.438 2.036 20 10 DECDRO COc1cccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)c1O ZINC000841939700 650607341 /nfs/dbraw/zinc/60/73/41/650607341.db2.gz UTLAPFQQOOCWPG-CQSZACIVSA-N 1 0 321.421 2.108 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000841949374 650609780 /nfs/dbraw/zinc/60/97/80/650609780.db2.gz CUKZHLFQPBAXRE-UHFFFAOYSA-N 1 0 306.454 2.412 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841953033 650610311 /nfs/dbraw/zinc/61/03/11/650610311.db2.gz BLFGUBONZGJRLI-OAHLLOKOSA-N 1 0 306.454 2.267 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000729921675 640856415 /nfs/dbraw/zinc/85/64/15/640856415.db2.gz RMJRMTXKWFOUPL-INIZCTEOSA-N 1 0 303.450 2.441 20 10 DECDRO N[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000841034975 640889237 /nfs/dbraw/zinc/88/92/37/640889237.db2.gz FSQLYBFUDWRQEX-LJQANCHMSA-N 1 0 311.429 2.313 20 10 DECDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841988357 650620166 /nfs/dbraw/zinc/62/01/66/650620166.db2.gz UUDGQUJKJHDCDK-LRDDRELGSA-N 1 0 317.433 2.068 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000766663498 640902695 /nfs/dbraw/zinc/90/26/95/640902695.db2.gz GVMZTEAAZMONGL-OAHLLOKOSA-N 1 0 311.447 2.408 20 10 DECDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)ccc1OC ZINC000897823026 640945684 /nfs/dbraw/zinc/94/56/84/640945684.db2.gz QQNWKXNTPGDIKI-DZXRDFMUSA-N 1 0 303.402 2.497 20 10 DECDRO CCc1cccc(C[NH+]2CC(c3cc(C(=O)OC)n[nH]3)C2)c1O ZINC000898001593 640989790 /nfs/dbraw/zinc/98/97/90/640989790.db2.gz HABLHFLIFSNZIF-UHFFFAOYSA-N 1 0 315.373 2.064 20 10 DECDRO c1cc2c(cc1C[NH2+][C@@H]1CCOC13CCOCC3)CCCO2 ZINC000898112122 641024255 /nfs/dbraw/zinc/02/42/55/641024255.db2.gz KMNQSTNVMIKNIN-QGZVFWFLSA-N 1 0 303.402 2.439 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842009487 650627524 /nfs/dbraw/zinc/62/75/24/650627524.db2.gz BMMQIVZAYSOCCF-HIFRSBDPSA-N 1 0 305.422 2.441 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000768347852 641070295 /nfs/dbraw/zinc/07/02/95/641070295.db2.gz VYNGWWZFKNKKEW-AWEZNQCLSA-N 1 0 318.417 2.139 20 10 DECDRO CCn1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cn1 ZINC000768444381 641081953 /nfs/dbraw/zinc/08/19/53/641081953.db2.gz AOHDKJKRGMABAW-UHFFFAOYSA-N 1 0 305.378 2.258 20 10 DECDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1(C)C ZINC000768465779 641084519 /nfs/dbraw/zinc/08/45/19/641084519.db2.gz LDXJKVSHYBJCAR-QGPMSJSTSA-N 1 0 321.417 2.453 20 10 DECDRO COc1ccc(CN(C)CC(C)(C)C[NH+](C)C)c(O)c1OC ZINC000898306044 641096459 /nfs/dbraw/zinc/09/64/59/641096459.db2.gz CNTNNRKKACVNHV-UHFFFAOYSA-N 1 0 310.438 2.429 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000768841593 641132128 /nfs/dbraw/zinc/13/21/28/641132128.db2.gz KZQQJDLPYXGBDL-ZDUSSCGKSA-N 1 0 305.374 2.325 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000769207244 641194621 /nfs/dbraw/zinc/19/46/21/641194621.db2.gz QKTLYXQHEAZKLE-CQSZACIVSA-N 1 0 320.433 2.385 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1F ZINC000769420754 641237577 /nfs/dbraw/zinc/23/75/77/641237577.db2.gz UKDBWYXFCQOWMV-AWEZNQCLSA-N 1 0 306.381 2.426 20 10 DECDRO CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000989838754 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DECDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccn2C)N(C)C)cc1 ZINC000898452208 641666541 /nfs/dbraw/zinc/66/65/41/641666541.db2.gz VNGYQUHSLYXTLE-GOSISDBHSA-N 1 0 300.450 2.484 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000898481716 641671996 /nfs/dbraw/zinc/67/19/96/641671996.db2.gz UFCWFXYVRRQKCW-YPMHNXCESA-N 1 0 323.389 2.231 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000773734290 641817588 /nfs/dbraw/zinc/81/75/88/641817588.db2.gz OROOMYMOIQGPOY-LJQANCHMSA-N 1 0 317.477 2.439 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000773843581 641830129 /nfs/dbraw/zinc/83/01/29/641830129.db2.gz DIQCGLPMWAAFOG-INIZCTEOSA-N 1 0 316.449 2.179 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC23CC3)[NH+](C)C)cc1 ZINC000899097677 641931057 /nfs/dbraw/zinc/93/10/57/641931057.db2.gz DYTYQTCOTLMLNP-CVEARBPZSA-N 1 0 316.449 2.207 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@@H]3C2)[NH+](C)C)cc1 ZINC000899098619 641940402 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319.493 2.421 20 10 DECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784640501 643160068 /nfs/dbraw/zinc/16/00/68/643160068.db2.gz PNVOVFVNDMQQOX-CXAGYDPISA-N 1 0 308.397 2.319 20 10 DECDRO Oc1cccc2c1[C@H]([NH2+]CC1(C3(O)CCOCC3)CC1)CC2 ZINC000903347478 643322442 /nfs/dbraw/zinc/32/24/42/643322442.db2.gz OQCGCOWSPBPYJQ-CQSZACIVSA-N 1 0 303.402 2.291 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3CC[C@@]32C[NH3+])c1O ZINC000903796073 643465603 /nfs/dbraw/zinc/46/56/03/643465603.db2.gz RYRJEPUCPZDXBO-SUMWQHHRSA-N 1 0 306.381 2.437 20 10 DECDRO CCOCCOCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000787237186 643470209 /nfs/dbraw/zinc/47/02/09/643470209.db2.gz PJGACVTVFRRMIK-UHFFFAOYSA-N 1 0 304.390 2.425 20 10 DECDRO COC(=O)[C@@H]1[C@H](C[N@H+](C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769362 643540220 /nfs/dbraw/zinc/54/02/20/643540220.db2.gz DWEVJHFILMCEHT-KBPBESRZSA-N 1 0 312.360 2.239 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCc3cncn3C)CC2)cc1 ZINC000788254186 643583471 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OC[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793321828 644234369 /nfs/dbraw/zinc/23/43/69/644234369.db2.gz KLWGSJDYEZKOHY-MRXNPFEDSA-N 1 0 322.424 2.303 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000793366786 644240745 /nfs/dbraw/zinc/24/07/45/644240745.db2.gz TXDDPKJNSOHVAF-KRWDZBQOSA-N 1 0 307.390 2.171 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2O)[C@@H]1C ZINC000793387277 644243661 /nfs/dbraw/zinc/24/36/61/644243661.db2.gz BQSMKGCTXBYOJM-XUJVJEKNSA-N 1 0 307.390 2.468 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000794660568 644455087 /nfs/dbraw/zinc/45/50/87/644455087.db2.gz GQPCWDWDVQQNJA-GUYCJALGSA-N 1 0 307.390 2.089 20 10 DECDRO COC(=O)[C@]12C[N@H+](Cc3cc(C)cc(C)c3O)C[C@H]1COCC2 ZINC000794684369 644460285 /nfs/dbraw/zinc/46/02/85/644460285.db2.gz WJBOXNQZIGNYNT-MAUKXSAKSA-N 1 0 319.401 2.021 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@]2(CCOC2)O1 ZINC000794694281 644461304 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Cc1ccc(/C=C/C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000843299503 650944729 /nfs/dbraw/zinc/94/47/29/650944729.db2.gz WUXHDVVIQISVHE-PMQIGOLDSA-N 1 0 324.428 2.285 20 10 DECDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796496820 644745715 /nfs/dbraw/zinc/74/57/15/644745715.db2.gz CVWRNVYMGAJIOF-NVXWUHKLSA-N 1 0 304.434 2.285 20 10 DECDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000797068848 644832914 /nfs/dbraw/zinc/83/29/14/644832914.db2.gz HCOFKLDTKUJNMX-CHWSQXEVSA-N 1 0 310.463 2.369 20 10 DECDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000797071367 644834225 /nfs/dbraw/zinc/83/42/25/644834225.db2.gz RWKPXWRTJGPOKN-NXEZZACHSA-N 1 0 301.383 2.148 20 10 DECDRO CON(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000799113505 645126710 /nfs/dbraw/zinc/12/67/10/645126710.db2.gz HQWJZZPFHWZONG-UHFFFAOYSA-N 1 0 307.438 2.373 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000843489268 650983368 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Oc1c(C[NH2+]CC2(N3CCOCC3)CC2)ccc2ccccc21 ZINC000816592960 647157084 /nfs/dbraw/zinc/15/70/84/647157084.db2.gz ZTXVSCZYISHPPK-UHFFFAOYSA-N 1 0 312.413 2.500 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816666081 647165502 /nfs/dbraw/zinc/16/55/02/647165502.db2.gz DGCXDKNGXSGKTQ-KRWDZBQOSA-N 1 0 304.434 2.118 20 10 DECDRO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000914180839 647206901 /nfs/dbraw/zinc/20/69/01/647206901.db2.gz XWLNGXIKJAKKJF-WMLDXEAASA-N 1 0 316.449 2.179 20 10 DECDRO COc1c([O-])c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865070 647368690 /nfs/dbraw/zinc/36/86/90/647368690.db2.gz NWEWEIXIIKHAIE-WZRBSPASSA-N 1 0 323.393 2.114 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C)cn3)C2)cc1 ZINC000818220627 647435911 /nfs/dbraw/zinc/43/59/11/647435911.db2.gz HRQWZSHZMXENBP-CQSZACIVSA-N 1 0 300.406 2.045 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(CNC(C)=O)CC2)c1O ZINC000754722439 647503534 /nfs/dbraw/zinc/50/35/34/647503534.db2.gz HQBDDKMWJVYUBE-UHFFFAOYSA-N 1 0 306.406 2.057 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000819039421 647570120 /nfs/dbraw/zinc/57/01/20/647570120.db2.gz QEJKYDFTDMHWOS-HNNXBMFYSA-N 1 0 324.490 2.446 20 10 DECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000917481387 648004628 /nfs/dbraw/zinc/00/46/28/648004628.db2.gz YWLFEEZXRRKDIZ-NSHDSACASA-N 1 0 307.390 2.390 20 10 DECDRO CN1C(=O)NCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000822530270 648226488 /nfs/dbraw/zinc/22/64/88/648226488.db2.gz WBEOHSBQMJXIJF-UHFFFAOYSA-N 1 0 309.797 2.035 20 10 DECDRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccccc1O ZINC000179891189 648430770 /nfs/dbraw/zinc/43/07/70/648430770.db2.gz WBEVQWOYNNNPIC-GFCCVEGCSA-N 1 0 300.358 2.107 20 10 DECDRO CCOC(=O)CN(CCc1cscn1)Cc1ccccc1O ZINC000823575949 648445277 /nfs/dbraw/zinc/44/52/77/648445277.db2.gz FGRVIARZQQQPGI-UHFFFAOYSA-N 1 0 320.414 2.457 20 10 DECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000824153723 648535786 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Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000825045075 648691598 /nfs/dbraw/zinc/69/15/98/648691598.db2.gz BLZWPMPCTWRPEC-PBHICJAKSA-N 1 0 301.390 2.444 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000825125410 648707565 /nfs/dbraw/zinc/70/75/65/648707565.db2.gz JTRWWWSZOUTZTA-YJBOKZPZSA-N 1 0 320.408 2.319 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCCN2CCC(O)CC2)cc1Cl ZINC000825130509 648708244 /nfs/dbraw/zinc/70/82/44/648708244.db2.gz BEVMEVONOMBAMK-UHFFFAOYSA-N 1 0 312.841 2.290 20 10 DECDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000825158637 648714505 /nfs/dbraw/zinc/71/45/05/648714505.db2.gz UATYNUZMDZEEKH-SFHVURJKSA-N 1 0 301.386 2.376 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000825563365 648781238 /nfs/dbraw/zinc/78/12/38/648781238.db2.gz WIEIGAZOKLNNSZ-LBPRGKRZSA-N 1 0 322.206 2.456 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1O ZINC000825567997 648782101 /nfs/dbraw/zinc/78/21/01/648782101.db2.gz QFDLLTBMRYOEAF-SKDRFNHKSA-N 1 0 300.196 2.357 20 10 DECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000825763692 648809805 /nfs/dbraw/zinc/80/98/05/648809805.db2.gz BNNJXKGMBJJJRI-GHMZBOCLSA-N 1 0 310.369 2.230 20 10 DECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000826131391 648853980 /nfs/dbraw/zinc/85/39/80/648853980.db2.gz SDESJWIDPADYCZ-SKDRFNHKSA-N 1 0 300.196 2.500 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1F ZINC000826780362 648925983 /nfs/dbraw/zinc/92/59/83/648925983.db2.gz KANABAGYSIDBEN-UHFFFAOYSA-N 1 0 303.381 2.262 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000827164757 648984379 /nfs/dbraw/zinc/98/43/79/648984379.db2.gz MMIMEBHTVSBTHD-ZFWWWQNUSA-N 1 0 310.463 2.116 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827580120 649053415 /nfs/dbraw/zinc/05/34/15/649053415.db2.gz PTONQJNFERPYDT-QMMMGPOBSA-N 1 0 316.195 2.166 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1F ZINC000827634076 649060057 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CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761075 649641871 /nfs/dbraw/zinc/64/18/71/649641871.db2.gz PLCFIZNMIHJKRI-RYUDHWBXSA-N 1 0 314.376 2.314 20 10 DECDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000832266902 649690369 /nfs/dbraw/zinc/69/03/69/649690369.db2.gz KWVFALRQMVDNGX-SUMWQHHRSA-N 1 0 312.417 2.067 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC(F)(F)F)cc1 ZINC000832267627 649690616 /nfs/dbraw/zinc/69/06/16/649690616.db2.gz XYRLEPUGVLGBCY-LBPRGKRZSA-N 1 0 303.328 2.211 20 10 DECDRO CCc1ccnc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832267179 649690627 /nfs/dbraw/zinc/69/06/27/649690627.db2.gz NUJCADGGHHNTNJ-INIZCTEOSA-N 1 0 312.417 2.140 20 10 DECDRO CC(C)c1ocnc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274758 649691534 /nfs/dbraw/zinc/69/15/34/649691534.db2.gz XSPTXHVMXCHQOV-CQSZACIVSA-N 1 0 316.405 2.294 20 10 DECDRO CCc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832279372 649691883 /nfs/dbraw/zinc/69/18/83/649691883.db2.gz JFBTUQZVSSAOKE-CYBMUJFWSA-N 1 0 318.446 2.201 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1C1CC1 ZINC000844761447 651167096 /nfs/dbraw/zinc/16/70/96/651167096.db2.gz JUGSUGFIAUPYLA-LSDHHAIUSA-N 1 0 319.401 2.340 20 10 DECDRO CCOCc1cc(C[NH2+]CC[C@]2(O)CCCOC2)ccc1OC ZINC000846110355 651308288 /nfs/dbraw/zinc/30/82/88/651308288.db2.gz LVYRHIVGSKUMKC-GOSISDBHSA-N 1 0 323.433 2.253 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CCN2CCC(OC)CC2)c1O ZINC000846148484 651310962 /nfs/dbraw/zinc/31/09/62/651310962.db2.gz FEHYJVBNDXCMEJ-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000846160166 651312067 /nfs/dbraw/zinc/31/20/67/651312067.db2.gz UATZVWUPNJBRHA-DCGLDWPTSA-N 1 0 307.390 2.390 20 10 DECDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cccc(OC)c2O)CCC1 ZINC000846165052 651312304 /nfs/dbraw/zinc/31/23/04/651312304.db2.gz KMYKXWPDVCQAIR-GFCCVEGCSA-N 1 0 306.406 2.358 20 10 DECDRO CCC[C@](C)([NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697156 651346633 /nfs/dbraw/zinc/34/66/33/651346633.db2.gz LPVVKSLWVYMERV-KRWDZBQOSA-N 1 0 307.438 2.107 20 10 DECDRO CCC[C@@](C)([NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697158 651346749 /nfs/dbraw/zinc/34/67/49/651346749.db2.gz LPVVKSLWVYMERV-QGZVFWFLSA-N 1 0 307.438 2.107 20 10 DECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCO)c1O ZINC000848514007 651465443 /nfs/dbraw/zinc/46/54/43/651465443.db2.gz KIANBPVLLDDSQR-MRVPVSSYSA-N 1 0 304.184 2.196 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Cl)ccc1O ZINC000848565511 651471905 /nfs/dbraw/zinc/47/19/05/651471905.db2.gz XWVCPCLIOULSFK-MWLCHTKSSA-N 1 0 306.797 2.382 20 10 DECDRO CCc1cccc(C[NH2+]C2(CC(=O)OC)CCOCC2)c1O ZINC000848900062 651551133 /nfs/dbraw/zinc/55/11/33/651551133.db2.gz AKUZUBSOLFMYGP-UHFFFAOYSA-N 1 0 307.390 2.157 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 ZINC000848918599 651561072 /nfs/dbraw/zinc/56/10/72/651561072.db2.gz FHISOPDDLZHAIK-MRXNPFEDSA-N 1 0 302.418 2.437 20 10 DECDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc3ccccc3c1O)C2 ZINC000848926366 651564235 /nfs/dbraw/zinc/56/42/35/651564235.db2.gz PRLSXZOJPRERGR-CQSZACIVSA-N 1 0 308.385 2.321 20 10 DECDRO C[C@@H]1CN(C(=[NH2+])NCc2c(O)ccc3c2CCCC3)CCO1 ZINC000849011086 651581720 /nfs/dbraw/zinc/58/17/20/651581720.db2.gz ORGSIBJMIPNHKT-GFCCVEGCSA-N 1 0 303.406 2.016 20 10 DECDRO CCCCNC(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849043861 651593788 /nfs/dbraw/zinc/59/37/88/651593788.db2.gz KNVPOABFVNWCQB-AWEZNQCLSA-N 1 0 304.438 2.436 20 10 DECDRO CCCN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850395016 651919292 /nfs/dbraw/zinc/91/92/92/651919292.db2.gz LRNFOHHKXIUJJW-INIZCTEOSA-N 1 0 321.440 2.236 20 10 DECDRO CCS(=O)(=O)C1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000850397826 651920252 /nfs/dbraw/zinc/92/02/52/651920252.db2.gz LJJJCUPLICPCND-WAYWQWQTSA-N 1 0 322.474 2.323 20 10 DECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406436 651922893 /nfs/dbraw/zinc/92/28/93/651922893.db2.gz GSWJQEZEZVOUHC-YJBOKZPZSA-N 1 0 304.434 2.305 20 10 DECDRO C=Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406799 651923111 /nfs/dbraw/zinc/92/31/11/651923111.db2.gz UNWKQZOEBRLOOY-UHFFFAOYSA-N 1 0 312.417 2.235 20 10 DECDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850424406 651926169 /nfs/dbraw/zinc/92/61/69/651926169.db2.gz JURRGFUSHJERBI-AWEZNQCLSA-N 1 0 317.462 2.010 20 10 DECDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850487777 651938077 /nfs/dbraw/zinc/93/80/77/651938077.db2.gz JVSJLVIWAIQNJN-CXAGYDPISA-N 1 0 322.424 2.474 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000850489390 651938804 /nfs/dbraw/zinc/93/88/04/651938804.db2.gz SUOBTOBZMIVTBH-DZGCQCFKSA-N 1 0 300.406 2.358 20 10 DECDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000850494867 651939521 /nfs/dbraw/zinc/93/95/21/651939521.db2.gz YNYNEDHVRUQXNL-LRDDRELGSA-N 1 0 309.406 2.493 20 10 DECDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(N2CCOCC2)cc1Cl ZINC000850509007 651941893 /nfs/dbraw/zinc/94/18/93/651941893.db2.gz OFMRGGRCLJHLSV-YWVDXFKGSA-N 1 0 310.825 2.376 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)[NH3+])cc1 ZINC000857113960 652054731 /nfs/dbraw/zinc/05/47/31/652054731.db2.gz KVVBYZSTSJCNIP-AWEZNQCLSA-N 1 0 306.454 2.412 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000851656168 652200297 /nfs/dbraw/zinc/20/02/97/652200297.db2.gz FPFKDVFVDNUCGR-QGZVFWFLSA-N 1 0 316.449 2.235 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000115825112 652246412 /nfs/dbraw/zinc/24/64/12/652246412.db2.gz RYAMFTVYHKSJRF-HNNXBMFYSA-N 1 0 318.465 2.202 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1F ZINC000858179924 652273283 /nfs/dbraw/zinc/27/32/83/652273283.db2.gz XENQLTPZPAJWKE-NSHDSACASA-N 1 0 319.346 2.460 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000858289858 652297428 /nfs/dbraw/zinc/29/74/28/652297428.db2.gz QVAXORUNGVYPCX-CYBMUJFWSA-N 1 0 307.438 2.476 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000858327000 652307294 /nfs/dbraw/zinc/30/72/94/652307294.db2.gz JQOHKVMNASJLLE-DOMZBBRYSA-N 1 0 319.361 2.102 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858342657 652312905 /nfs/dbraw/zinc/31/29/05/652312905.db2.gz OVJNKTGUVKPYSO-CQSZACIVSA-N 1 0 304.390 2.034 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000852775173 652454561 /nfs/dbraw/zinc/45/45/61/652454561.db2.gz PAUCKWQKBAJQDG-UHFFFAOYSA-N 1 0 315.442 2.390 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000852838960 652466837 /nfs/dbraw/zinc/46/68/37/652466837.db2.gz SVTMDOLQGFKJIX-MRXNPFEDSA-N 1 0 301.434 2.050 20 10 DECDRO C[C@@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000853412373 652545727 /nfs/dbraw/zinc/54/57/27/652545727.db2.gz ZOBFRPFIKCVSTR-HNNXBMFYSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000853748245 652598166 /nfs/dbraw/zinc/59/81/66/652598166.db2.gz BWDSBXGCTRGNML-KRWDZBQOSA-N 1 0 318.465 2.297 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000854245067 652664813 /nfs/dbraw/zinc/66/48/13/652664813.db2.gz BGBAHNBZZUWUCE-AWEZNQCLSA-N 1 0 305.422 2.406 20 10 DECDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305167716 685280370 /nfs/dbraw/zinc/28/03/70/685280370.db2.gz SVEVSPUIUQJAJD-ZFWWWQNUSA-N 1 0 310.413 2.474 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000858589975 685564010 /nfs/dbraw/zinc/56/40/10/685564010.db2.gz FHSFRTMDTVQYDT-UAKXVISKSA-N 1 0 319.361 2.273 20 10 DECDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)C1CC1 ZINC000042096316 683893719 /nfs/dbraw/zinc/89/37/19/683893719.db2.gz WBVDEISQJJQSCZ-UHFFFAOYSA-N 1 0 314.429 2.372 20 10 DECDRO CC(C)[C@@H](C(=O)NCCCSc1nccs1)[NH+](C)C ZINC000114374808 684062594 /nfs/dbraw/zinc/06/25/94/684062594.db2.gz AEYYKTCOVXCAIE-NSHDSACASA-N 1 0 301.481 2.328 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1F ZINC000122700586 684117982 /nfs/dbraw/zinc/11/79/82/684117982.db2.gz ICQRAYVCOLKPDB-CYBMUJFWSA-N 1 0 307.413 2.369 20 10 DECDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000125503256 684146229 /nfs/dbraw/zinc/14/62/29/684146229.db2.gz VYQCTEXWTLPXOT-INIZCTEOSA-N 1 0 321.440 2.046 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130026715 684184193 /nfs/dbraw/zinc/18/41/93/684184193.db2.gz JJUQYHHUENPWKW-HNNXBMFYSA-N 1 0 318.465 2.154 20 10 DECDRO CCOc1ccc(N(C)CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000157306138 684293905 /nfs/dbraw/zinc/29/39/05/684293905.db2.gz OKJCYPHSGRAGFY-UHFFFAOYSA-N 1 0 319.449 2.122 20 10 DECDRO CCOC(=O)C1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000159466434 684315119 /nfs/dbraw/zinc/31/51/19/684315119.db2.gz RGLYUAWHCZJSPI-UHFFFAOYSA-N 1 0 307.390 2.484 20 10 DECDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160043778 684325143 /nfs/dbraw/zinc/32/51/43/684325143.db2.gz NBPIMGIWISKAJD-UHFFFAOYSA-N 1 0 318.396 2.169 20 10 DECDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000160106173 684326058 /nfs/dbraw/zinc/32/60/58/684326058.db2.gz PYJTUPQNFFNOAD-GFCCVEGCSA-N 1 0 307.390 2.483 20 10 DECDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@H](O)C(F)(F)F ZINC000189864368 684390707 /nfs/dbraw/zinc/39/07/07/684390707.db2.gz VOOWNWYPXJLMGY-ZDUSSCGKSA-N 1 0 323.311 2.155 20 10 DECDRO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000929185013 693913026 /nfs/dbraw/zinc/91/30/26/693913026.db2.gz KUGNHYHGGHBUQM-UHFFFAOYSA-N 1 0 314.433 2.495 20 10 DECDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CC2(O)CCC2)C2CC2)cc1 ZINC000859082346 685651585 /nfs/dbraw/zinc/65/15/85/685651585.db2.gz WLWQWKPDCKTWLP-GOSISDBHSA-N 1 0 318.461 2.383 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000861662908 686165758 /nfs/dbraw/zinc/16/57/58/686165758.db2.gz KZIQVJUKKDVHBP-INIZCTEOSA-N 1 0 316.449 2.179 20 10 DECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028002 686225463 /nfs/dbraw/zinc/22/54/63/686225463.db2.gz MTAQKGPMFIXTND-CHWSQXEVSA-N 1 0 313.401 2.429 20 10 DECDRO CCON(CC)C(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000862455107 686304812 /nfs/dbraw/zinc/30/48/12/686304812.db2.gz ZFXHMJCBJJUCML-UHFFFAOYSA-N 1 0 302.374 2.435 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccccc1O ZINC000865269106 687163563 /nfs/dbraw/zinc/16/35/63/687163563.db2.gz AELBUUHWAHSGBK-OLZOCXBDSA-N 1 0 307.463 2.402 20 10 DECDRO C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccccc1O ZINC000865269602 687164363 /nfs/dbraw/zinc/16/43/63/687164363.db2.gz SHQKNKPGZNOXQD-GFCCVEGCSA-N 1 0 307.463 2.259 20 10 DECDRO O=c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c[nH]1 ZINC000865632390 687284712 /nfs/dbraw/zinc/28/47/12/687284712.db2.gz PHCKOCRRFUXQCU-UHFFFAOYSA-N 1 0 313.401 2.038 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000865737035 687317324 /nfs/dbraw/zinc/31/73/24/687317324.db2.gz ZTTDBKSDYUANPU-QWRGUYRKSA-N 1 0 316.195 2.166 20 10 DECDRO C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1O ZINC000868167434 687932646 /nfs/dbraw/zinc/93/26/46/687932646.db2.gz QIMDUZVDAMJJCR-LDYMZIIASA-N 1 0 305.300 2.032 20 10 DECDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1O ZINC000868357818 687989543 /nfs/dbraw/zinc/98/95/43/687989543.db2.gz HKJLIGSTHQSUCS-UONOGXRCSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)C[NH+]1CCCC1 ZINC000868357816 687989709 /nfs/dbraw/zinc/98/97/09/687989709.db2.gz HKJLIGSTHQSUCS-KBPBESRZSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001019428911 688354160 /nfs/dbraw/zinc/35/41/60/688354160.db2.gz GISGTXBPQMMPCY-JKSUJKDBSA-N 1 0 314.429 2.494 20 10 DECDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014427 688550186 /nfs/dbraw/zinc/55/01/86/688550186.db2.gz ZGTGERICTBLDDP-LBPRGKRZSA-N 1 0 317.393 2.309 20 10 DECDRO O=C1CC[N@H+](Cc2cc3c(cc2O)OCO3)CCCCCCN1 ZINC000872663286 689058878 /nfs/dbraw/zinc/05/88/78/689058878.db2.gz IRZIMAXSROHKIR-UHFFFAOYSA-N 1 0 320.389 2.003 20 10 DECDRO COc1ccc(C[NH2+]Cc2c[nH]nc2C)cc1Cn1cccn1 ZINC000873013244 689140485 /nfs/dbraw/zinc/14/04/85/689140485.db2.gz XTXAAINQERPGGO-UHFFFAOYSA-N 1 0 311.389 2.261 20 10 DECDRO CC[C@@H]1COCCN1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000873189083 689178856 /nfs/dbraw/zinc/17/88/56/689178856.db2.gz NTGAIPJYMDVFPP-OOFWQKGWSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000874457649 689418052 /nfs/dbraw/zinc/41/80/52/689418052.db2.gz QTLBTGCOZUPVPC-AWEZNQCLSA-N 1 0 315.377 2.158 20 10 DECDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931039304 694299866 /nfs/dbraw/zinc/29/98/66/694299866.db2.gz QGUZHUYTFBVRCJ-CRAIPNDOSA-N 1 0 303.450 2.048 20 10 DECDRO C[NH+](C)C1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875676602 689673049 /nfs/dbraw/zinc/67/30/49/689673049.db2.gz IORXWLKGMWXOHT-UHFFFAOYSA-N 1 0 303.406 2.290 20 10 DECDRO CC(C)c1nocc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506154 689841941 /nfs/dbraw/zinc/84/19/41/689841941.db2.gz GEKPRBDWCWZIPM-HNNXBMFYSA-N 1 0 316.405 2.294 20 10 DECDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728503 689918666 /nfs/dbraw/zinc/91/86/66/689918666.db2.gz OHHWIRFPJJSIBV-HZPDHXFCSA-N 1 0 301.434 2.276 20 10 DECDRO Cc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)c(O)c1 ZINC000876731834 689919341 /nfs/dbraw/zinc/91/93/41/689919341.db2.gz VPMJYMUOCYVCLT-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000876735206 689920716 /nfs/dbraw/zinc/92/07/16/689920716.db2.gz MAFPLYHCURGZGE-LBPRGKRZSA-N 1 0 316.323 2.296 20 10 DECDRO Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000876767223 689930986 /nfs/dbraw/zinc/93/09/86/689930986.db2.gz DNCNDQGSSPTOBU-UHFFFAOYSA-N 1 0 301.390 2.351 20 10 DECDRO Cc1ccc(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c(O)c1 ZINC000876769789 689932101 /nfs/dbraw/zinc/93/21/01/689932101.db2.gz ZVQDUKZCYVKSJH-CYBMUJFWSA-N 1 0 305.447 2.310 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876778967 689935027 /nfs/dbraw/zinc/93/50/27/689935027.db2.gz SZGVYUISGDDBGR-BMWLXYDHSA-N 1 0 315.417 2.034 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876875746 689960959 /nfs/dbraw/zinc/96/09/59/689960959.db2.gz YYYHBEKRUIMLLK-RDJZCZTQSA-N 1 0 321.440 2.437 20 10 DECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876875747 689961460 /nfs/dbraw/zinc/96/14/60/689961460.db2.gz YYYHBEKRUIMLLK-WBVHZDCISA-N 1 0 321.440 2.437 20 10 DECDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876881998 689963146 /nfs/dbraw/zinc/96/31/46/689963146.db2.gz WGAVEPJZTZECOT-SFHVURJKSA-N 1 0 317.477 2.222 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCC[C@H]3CCO3)cc2F)CC1 ZINC000876965184 689984970 /nfs/dbraw/zinc/98/49/70/689984970.db2.gz DMFCCFSJNBQLQJ-INIZCTEOSA-N 1 0 322.424 2.446 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(C)n1-c1ccccn1 ZINC000877052846 690008360 /nfs/dbraw/zinc/00/83/60/690008360.db2.gz XKFXGVJSIBSAKE-SWLSCSKDSA-N 1 0 312.417 2.359 20 10 DECDRO CC[C@H](CCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111949 690020452 /nfs/dbraw/zinc/02/04/52/690020452.db2.gz PEWMAJKGWMJMAT-OAHLLOKOSA-N 1 0 306.450 2.146 20 10 DECDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(C)cccc1O ZINC000877422216 690107789 /nfs/dbraw/zinc/10/77/89/690107789.db2.gz SJRCGVMQRBAXBW-UONOGXRCSA-N 1 0 307.390 2.243 20 10 DECDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877519529 690139046 /nfs/dbraw/zinc/13/90/46/690139046.db2.gz KVWIJGXYUGEQDK-NVXWUHKLSA-N 1 0 318.461 2.410 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)O ZINC000877552565 690149742 /nfs/dbraw/zinc/14/97/42/690149742.db2.gz QLVAANXATGSHAO-KRWDZBQOSA-N 1 0 306.450 2.287 20 10 DECDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877554946 690150356 /nfs/dbraw/zinc/15/03/56/690150356.db2.gz OGKSTVWPUAJEGN-KRWDZBQOSA-N 1 0 318.461 2.242 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000877585491 690159015 /nfs/dbraw/zinc/15/90/15/690159015.db2.gz ILZANQOPQQVJBD-APWZRJJASA-N 1 0 316.445 2.259 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000877693387 690193095 /nfs/dbraw/zinc/19/30/95/690193095.db2.gz VQQDXFLXUBDGHS-GXTWGEPZSA-N 1 0 302.340 2.355 20 10 DECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877692510 690193407 /nfs/dbraw/zinc/19/34/07/690193407.db2.gz GCUOBIURDRLJKQ-GOSISDBHSA-N 1 0 304.434 2.260 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000877708332 690198825 /nfs/dbraw/zinc/19/88/25/690198825.db2.gz IRCSCHHXQJWIOM-OAHLLOKOSA-N 1 0 320.433 2.252 20 10 DECDRO Cc1cccc(C[N@H+](C)CCN2CC3(C2)CCOCC3)c1O ZINC000877765741 690218711 /nfs/dbraw/zinc/21/87/11/690218711.db2.gz GZVUIHCHBXCAMW-UHFFFAOYSA-N 1 0 304.434 2.245 20 10 DECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877778109 690224443 /nfs/dbraw/zinc/22/44/43/690224443.db2.gz KBRLQBWTULMKCD-ZBFHGGJFSA-N 1 0 306.450 2.287 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC000879045209 690556346 /nfs/dbraw/zinc/55/63/46/690556346.db2.gz WWXWPDRTSJZAOA-MRXNPFEDSA-N 1 0 307.413 2.178 20 10 DECDRO C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000879649417 690699108 /nfs/dbraw/zinc/69/91/08/690699108.db2.gz RVXXLNFUDWIWKX-CHWSQXEVSA-N 1 0 324.421 2.319 20 10 DECDRO C[C@H]([NH2+]Cc1ccncc1N)c1ccc(N2CCOCC2)cc1 ZINC000882924018 691388189 /nfs/dbraw/zinc/38/81/89/691388189.db2.gz SXRZVIBEVPCQII-AWEZNQCLSA-N 1 0 312.417 2.351 20 10 DECDRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000883161430 691444259 /nfs/dbraw/zinc/44/42/59/691444259.db2.gz RSHIXXVAPFLLKG-SDDRHHMPSA-N 1 0 314.376 2.258 20 10 DECDRO CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1 ZINC000883269462 691469249 /nfs/dbraw/zinc/46/92/49/691469249.db2.gz LCRCMZNDRIDILB-CQSZACIVSA-N 1 0 305.374 2.325 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883275205 691470396 /nfs/dbraw/zinc/47/03/96/691470396.db2.gz JVPDBSUNIORHNV-GXTWGEPZSA-N 1 0 305.374 2.496 20 10 DECDRO CCc1nocc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283701 691471814 /nfs/dbraw/zinc/47/18/14/691471814.db2.gz PFIPJJYTICAXMJ-UHFFFAOYSA-N 1 0 314.433 2.279 20 10 DECDRO COc1cccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1O ZINC000883366479 691490364 /nfs/dbraw/zinc/49/03/64/691490364.db2.gz UHFQXTTUUPFNEG-VIFPVBQESA-N 1 0 315.238 2.049 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000883374380 691492515 /nfs/dbraw/zinc/49/25/15/691492515.db2.gz AGUKMUBWMJKYEZ-CQDKDKBSSA-N 1 0 323.458 2.497 20 10 DECDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000883581781 691544575 /nfs/dbraw/zinc/54/45/75/691544575.db2.gz GFQWQBMPWZGICC-CZUORRHYSA-N 1 0 304.438 2.207 20 10 DECDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000886109432 692005270 /nfs/dbraw/zinc/00/52/70/692005270.db2.gz KFFATOUUQKABLP-MLGOLLRUSA-N 1 0 314.376 2.190 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3[nH]nc(C)c3C)C2)cc1 ZINC000886157584 692014865 /nfs/dbraw/zinc/01/48/65/692014865.db2.gz FRBMFMWLPVYINO-CQSZACIVSA-N 1 0 300.406 2.404 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000886520547 692100141 /nfs/dbraw/zinc/10/01/41/692100141.db2.gz HFYXCGJQIALXKW-GFCCVEGCSA-N 1 0 301.346 2.000 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1 ZINC000932019973 694529143 /nfs/dbraw/zinc/52/91/43/694529143.db2.gz KUWYQQZLOGAJNE-QAPCUYQASA-N 1 0 317.433 2.463 20 10 DECDRO CCCN(C[C@@H]1[C@@H](C(=O)OC)C1(F)F)c1ccc(C[NH3+])cc1 ZINC000894569894 692986848 /nfs/dbraw/zinc/98/68/48/692986848.db2.gz NPMXJVJPISDHOH-KGLIPLIRSA-N 1 0 312.360 2.416 20 10 DECDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000895328478 692995630 /nfs/dbraw/zinc/99/56/30/692995630.db2.gz GKPFGPYTHOJNIX-PKOBYXMFSA-N 1 0 313.397 2.377 20 10 DECDRO COc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791633 693342547 /nfs/dbraw/zinc/34/25/47/693342547.db2.gz MKQHDWRZSRZDRE-KGLIPLIRSA-N 1 0 320.433 2.210 20 10 DECDRO COc1ccc(O)c([C@H](C)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791634 693343050 /nfs/dbraw/zinc/34/30/50/693343050.db2.gz MKQHDWRZSRZDRE-UONOGXRCSA-N 1 0 320.433 2.210 20 10 DECDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966958 693658043 /nfs/dbraw/zinc/65/80/43/693658043.db2.gz YNMZGEZMWHYQJJ-ZDUSSCGKSA-N 1 0 317.393 2.453 20 10 DECDRO Cc1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cn1 ZINC001334344356 1150276886 /nfs/dbraw/zinc/27/68/86/1150276886.db2.gz FAUDVQMIVUNLAG-GOSISDBHSA-N 1 0 313.449 2.244 20 10 DECDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001335287709 1150392998 /nfs/dbraw/zinc/39/29/98/1150392998.db2.gz AALGJZLYXVTIBN-QGZVFWFLSA-N 1 0 306.406 2.061 20 10 DECDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001335489727 1150431721 /nfs/dbraw/zinc/43/17/21/1150431721.db2.gz DZTZWDXBSZMGKW-MRXNPFEDSA-N 1 0 318.465 2.436 20 10 DECDRO C[NH2+]CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001335509922 1150438549 /nfs/dbraw/zinc/43/85/49/1150438549.db2.gz OTNGBTIATQCBPW-CQSZACIVSA-N 1 0 306.454 2.453 20 10 DECDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC001343096507 1150680224 /nfs/dbraw/zinc/68/02/24/1150680224.db2.gz BRGGRAZXOXLPPZ-LLVKDONJSA-N 1 0 311.813 2.187 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001343430491 1150741431 /nfs/dbraw/zinc/74/14/31/1150741431.db2.gz IFIVYGTXQBAGRU-KRWDZBQOSA-N 1 0 315.461 2.457 20 10 DECDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001345159975 1150869806 /nfs/dbraw/zinc/86/98/06/1150869806.db2.gz PGLCBNOANKPPTK-IRXDYDNUSA-N 1 0 316.493 2.259 20 10 DECDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C)OC)C2CC2)cc1C ZINC001480006623 1151369373 /nfs/dbraw/zinc/36/93/73/1151369373.db2.gz ONFRHLWLAZPRSE-XJKSGUPXSA-N 1 0 320.433 2.023 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@@H]3COC(C)(C)C3)cc2F)CC1 ZINC001352736455 1151769937 /nfs/dbraw/zinc/76/99/37/1151769937.db2.gz BCHRRWRHZDNULM-HNNXBMFYSA-N 1 0 321.440 2.235 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001358168382 1152368438 /nfs/dbraw/zinc/36/84/38/1152368438.db2.gz QZWBUWFVBPXBIV-SFHVURJKSA-N 1 0 314.360 2.079 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)c1ccnn1C ZINC001332440170 1149860415 /nfs/dbraw/zinc/86/04/15/1149860415.db2.gz HJFVUIPKXUTKQO-LALPHHSUSA-N 1 0 301.390 2.306 20 10 DECDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406145 777961742 /nfs/dbraw/zinc/96/17/42/777961742.db2.gz PXSHLORMOZNSBM-JFDUVMPXSA-N 1 0 318.417 2.348 20 10 DECDRO [NH3+]C1(c2ccc(NCCc3cc(O)c(O)cc3O)cc2)CC1 ZINC001168006037 779273859 /nfs/dbraw/zinc/27/38/59/779273859.db2.gz QSWZMDCBMFSYSH-UHFFFAOYSA-N 1 0 300.358 2.406 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(C)(F)F)CC2)cc1 ZINC001333622544 1150071394 /nfs/dbraw/zinc/07/13/94/1150071394.db2.gz PLQMDLDOLDXPIB-CYBMUJFWSA-N 1 0 311.376 2.304 20 10 DECDRO COc1cc2c(cc1OC)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144520698 790939148 /nfs/dbraw/zinc/93/91/48/790939148.db2.gz ZESRDPSETMYDMH-UHFFFAOYSA-N 1 0 317.341 2.336 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c(O)c1 ZINC001144516046 790943839 /nfs/dbraw/zinc/94/38/39/790943839.db2.gz NHPMPYZSWMKFDA-UHFFFAOYSA-N 1 0 313.357 2.029 20 10 DECDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138498780 783514129 /nfs/dbraw/zinc/51/41/29/783514129.db2.gz FWNWTOPYCPLMEW-SFHVURJKSA-N 1 0 304.434 2.380 20 10 DECDRO CCOC(=O)N1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001169651249 785283540 /nfs/dbraw/zinc/28/35/40/785283540.db2.gz FEEPDSKURSFPIH-CQSZACIVSA-N 1 0 322.405 2.241 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001130092536 787285504 /nfs/dbraw/zinc/28/55/04/787285504.db2.gz XQXHIASDJHXLRS-CYBMUJFWSA-N 1 0 312.360 2.255 20 10 DECDRO C[C@H](NC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1O ZINC001171730906 793185766 /nfs/dbraw/zinc/18/57/66/793185766.db2.gz RAMHJOWZDHGAQW-LBPRGKRZSA-N 1 0 308.341 2.464 20 10 DECDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172746284 793488552 /nfs/dbraw/zinc/48/85/52/793488552.db2.gz ODDGAFMGGDGKOO-LLVKDONJSA-N 1 0 311.378 2.056 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+]C2Cc3cc(F)c(F)cc3C2)cc1O ZINC001173472913 793733361 /nfs/dbraw/zinc/73/33/61/793733361.db2.gz PZSUXJWXVGWVLO-QGZVFWFLSA-N 1 0 321.323 2.166 20 10 DECDRO OC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCOC1 ZINC001117948177 795130322 /nfs/dbraw/zinc/13/03/22/795130322.db2.gz NYYITIMNZGMUBJ-FUHWJXTLSA-N 1 0 304.434 2.164 20 10 DECDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(Cl)ccc2O)[nH]n1 ZINC001118248380 795169914 /nfs/dbraw/zinc/16/99/14/795169914.db2.gz SUCNRVQMYZJNGP-UHFFFAOYSA-N 1 0 309.753 2.235 20 10 DECDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278585 795362112 /nfs/dbraw/zinc/36/21/12/795362112.db2.gz GAYRJWWXGVNVLR-INIZCTEOSA-N 1 0 320.433 2.173 20 10 DECDRO Cc1cc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Br ZINC001206444139 795426839 /nfs/dbraw/zinc/42/68/39/795426839.db2.gz DXVFEBACNONYEC-WDEREUQCSA-N 1 0 317.202 2.334 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001120572132 795487693 /nfs/dbraw/zinc/48/76/93/795487693.db2.gz ZMIBYPUJIGUPSJ-UHFFFAOYSA-N 1 0 304.438 2.333 20 10 DECDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001120676929 795511661 /nfs/dbraw/zinc/51/16/61/795511661.db2.gz GSWIEBNZTBCPAJ-ZDUSSCGKSA-N 1 0 304.438 2.141 20 10 DECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182155825 795615169 /nfs/dbraw/zinc/61/51/69/795615169.db2.gz RGYKKRXJKZAJJT-CQSZACIVSA-N 1 0 320.433 2.267 20 10 DECDRO C[C@H](CC(F)(F)F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001121809489 795690316 /nfs/dbraw/zinc/69/03/16/795690316.db2.gz FFNQKBJTPARHGI-MFKMUULPSA-N 1 0 317.355 2.457 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)OCC(C)C)cc1C ZINC001124330188 796056401 /nfs/dbraw/zinc/05/64/01/796056401.db2.gz BXLOCCNAKVCYMY-HNNXBMFYSA-N 1 0 322.449 2.271 20 10 DECDRO CCO[C@@H](CC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124392658 796063949 /nfs/dbraw/zinc/06/39/49/796063949.db2.gz OMEWKRZVDOUGCD-HNNXBMFYSA-N 1 0 308.422 2.025 20 10 DECDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139670576 796107838 /nfs/dbraw/zinc/10/78/38/796107838.db2.gz CXENHHDAEJQAKI-PKOBYXMFSA-N 1 0 317.477 2.214 20 10 DECDRO CC[N@H+](CCN1CCOCC1)Cc1ccc2c(c1)CCCN2C ZINC001138357028 796203920 /nfs/dbraw/zinc/20/39/20/796203920.db2.gz ZIVXRCHCQZEVHB-UHFFFAOYSA-N 1 0 317.477 2.223 20 10 DECDRO CCN(CC)c1ccc(CN2CCCC[C@@H]2C(N)=O)c(OC)c1 ZINC001138388900 796210168 /nfs/dbraw/zinc/21/01/68/796210168.db2.gz IHEHFPSBWZHIRW-MRXNPFEDSA-N 1 0 319.449 2.381 20 10 DECDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC001138498774 796227371 /nfs/dbraw/zinc/22/73/71/796227371.db2.gz DZXOFLFOSOHDID-MJGOQNOKSA-N 1 0 315.461 2.049 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CC([NH+]2CCCCC2)C1 ZINC001138498873 796227553 /nfs/dbraw/zinc/22/75/53/796227553.db2.gz KLIXAZBVEMRHSW-UHFFFAOYSA-N 1 0 315.461 2.193 20 10 DECDRO C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1csnn1 ZINC001202859712 796264857 /nfs/dbraw/zinc/26/48/57/796264857.db2.gz JXMKDKZVKTVISB-NSHDSACASA-N 1 0 322.409 2.365 20 10 DECDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC001203630384 796329861 /nfs/dbraw/zinc/32/98/61/796329861.db2.gz RIKABAMTZVGASP-OAHLLOKOSA-N 1 0 318.417 2.235 20 10 DECDRO COc1cc(CN2CCCC[C@@H]2C(C)=O)cc(C[NH+](C)C)c1O ZINC001139259360 796351715 /nfs/dbraw/zinc/35/17/15/796351715.db2.gz SPRZYOCSHNYSAB-MRXNPFEDSA-N 1 0 320.433 2.406 20 10 DECDRO C[NH+]1CCN(c2ccc(CN3CC4(C3)CCCCO4)cc2)CC1 ZINC001139409021 796373095 /nfs/dbraw/zinc/37/30/95/796373095.db2.gz SBBPRYBGTMHHHR-UHFFFAOYSA-N 1 0 315.461 2.193 20 10 DECDRO Cc1cncnc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140056071 796471502 /nfs/dbraw/zinc/47/15/02/796471502.db2.gz GUFOZKDJNSTMSN-AWEZNQCLSA-N 1 0 303.337 2.283 20 10 DECDRO CCC1=NC2(CC[NH+](Cc3cc(F)ccc3O)CC2)C(=O)N1C ZINC001140059967 796471968 /nfs/dbraw/zinc/47/19/68/796471968.db2.gz DEIHUFQWDVMRTK-UHFFFAOYSA-N 1 0 319.380 2.146 20 10 DECDRO Oc1cccc(Br)c1CN1CC([NH+]2CCCC2)C1 ZINC001140101405 796477614 /nfs/dbraw/zinc/47/76/14/796477614.db2.gz RQJJQGMYYNUNOW-UHFFFAOYSA-N 1 0 311.223 2.435 20 10 DECDRO CC[NH+]1CCN(c2ccc(C[NH+]3CC([C@H](C)OC)C3)cc2)CC1 ZINC001140309796 796504502 /nfs/dbraw/zinc/50/45/02/796504502.db2.gz UYEMFWWYXWCNBO-INIZCTEOSA-N 1 0 317.477 2.295 20 10 DECDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2C)C1=O ZINC001140621106 796546944 /nfs/dbraw/zinc/54/69/44/796546944.db2.gz HELAZHQVIAZMKR-KSSFIOAISA-N 1 0 302.418 2.391 20 10 DECDRO Cc1ccc(O)c(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001140622051 796547179 /nfs/dbraw/zinc/54/71/79/796547179.db2.gz WDNXKDXOCBJJLE-HNNXBMFYSA-N 1 0 314.433 2.091 20 10 DECDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140659963 796551481 /nfs/dbraw/zinc/55/14/81/796551481.db2.gz ARCCMNONWGBDNS-JLJPHGGASA-N 1 0 308.372 2.452 20 10 DECDRO CCN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1F ZINC001140664605 796553329 /nfs/dbraw/zinc/55/33/29/796553329.db2.gz NDPUZYFZUDFBSY-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140744633 796566774 /nfs/dbraw/zinc/56/67/74/796566774.db2.gz FGQPNNAOSKPSAU-UHFFFAOYSA-N 1 0 318.417 2.383 20 10 DECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140747986 796567684 /nfs/dbraw/zinc/56/76/84/796567684.db2.gz QERRHNUDWFCQSZ-UBHSHLNASA-N 1 0 305.374 2.180 20 10 DECDRO Cc1c(O)ccc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c1O ZINC001140749129 796567801 /nfs/dbraw/zinc/56/78/01/796567801.db2.gz YCGGRBCJWFDTBT-UHFFFAOYSA-N 1 0 319.405 2.036 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001140850414 796583063 /nfs/dbraw/zinc/58/30/63/796583063.db2.gz KTKWATIUJQKESL-DZGCQCFKSA-N 1 0 310.413 2.391 20 10 DECDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(OC)c1 ZINC001141028584 796620378 /nfs/dbraw/zinc/62/03/78/796620378.db2.gz VTXUPRVWPIQNOD-AWEZNQCLSA-N 1 0 320.433 2.470 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(OC)c1 ZINC001141029116 796621339 /nfs/dbraw/zinc/62/13/39/796621339.db2.gz IYHXMBBIVGVWFZ-QGZVFWFLSA-N 1 0 307.390 2.412 20 10 DECDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074638 796632243 /nfs/dbraw/zinc/63/22/43/796632243.db2.gz PEAUKGGURUPOFI-IRXDYDNUSA-N 1 0 304.409 2.290 20 10 DECDRO COC(=O)C1(C)CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143074 796638998 /nfs/dbraw/zinc/63/89/98/796638998.db2.gz MFOOJTWADGXYIH-UHFFFAOYSA-N 1 0 318.417 2.290 20 10 DECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143506 796639046 /nfs/dbraw/zinc/63/90/46/796639046.db2.gz BQKHPDUMPHFUNV-DZGCQCFKSA-N 1 0 318.417 2.146 20 10 DECDRO COC[C@@H]1COCCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141158780 796641849 /nfs/dbraw/zinc/64/18/49/796641849.db2.gz NCRNXADQRNFIIP-OAHLLOKOSA-N 1 0 321.417 2.363 20 10 DECDRO COCCN1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143105204 796802421 /nfs/dbraw/zinc/80/24/21/796802421.db2.gz MMQJZGUGVAXZAG-UHFFFAOYSA-N 1 0 306.450 2.454 20 10 DECDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237179750 796973020 /nfs/dbraw/zinc/97/30/20/796973020.db2.gz MIPSQMCHJVOXCS-LBPRGKRZSA-N 1 0 300.406 2.074 20 10 DECDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(O)c(O)c1Cl ZINC001193224785 797521819 /nfs/dbraw/zinc/52/18/19/797521819.db2.gz AXPHXPIJMMKBOV-UHFFFAOYSA-N 1 0 312.797 2.165 20 10 DECDRO O=C(c1ccc(Nc2ccc3c(c2)CCN3)cc1)N1CC[NH2+]CC1 ZINC001159523401 798577499 /nfs/dbraw/zinc/57/74/99/798577499.db2.gz ZRPNKZBHRHXUMI-UHFFFAOYSA-N 1 0 322.412 2.444 20 10 DECDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925329 798763451 /nfs/dbraw/zinc/76/34/51/798763451.db2.gz XEJMBIPDCVOEAO-AWEZNQCLSA-N 1 0 306.406 2.007 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000123728665 799143264 /nfs/dbraw/zinc/14/32/64/799143264.db2.gz OPJRBEZSVUHLGX-GWCFXTLKSA-N 1 0 305.296 2.288 20 10 DECDRO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2O)N1Cc1cccnc1 ZINC001203551908 800078283 /nfs/dbraw/zinc/07/82/83/800078283.db2.gz SIRPMZIWQKZOJE-IAGOWNOFSA-N 1 0 323.396 2.163 20 10 DECDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC001203558731 800081180 /nfs/dbraw/zinc/08/11/80/800081180.db2.gz ZBEBQCBDIIPFFF-OAHLLOKOSA-N 1 0 320.433 2.288 20 10 DECDRO CCOc1cccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c1O ZINC001203617159 800091735 /nfs/dbraw/zinc/09/17/35/800091735.db2.gz KIXUAOFERAXVBQ-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203880915 800139215 /nfs/dbraw/zinc/13/92/15/800139215.db2.gz JVWORAGPMVFSBI-UHFFFAOYSA-N 1 0 306.406 2.319 20 10 DECDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882908 800139478 /nfs/dbraw/zinc/13/94/78/800139478.db2.gz WWBRMXJQINWYAT-MRXNPFEDSA-N 1 0 320.433 2.173 20 10 DECDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882907 800139879 /nfs/dbraw/zinc/13/98/79/800139879.db2.gz WWBRMXJQINWYAT-INIZCTEOSA-N 1 0 320.433 2.173 20 10 DECDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@@H]21 ZINC001204274089 800198425 /nfs/dbraw/zinc/19/84/25/800198425.db2.gz IAKALGLYZLIWIQ-CJNGLKHVSA-N 1 0 318.417 2.177 20 10 DECDRO CNC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320404 800204434 /nfs/dbraw/zinc/20/44/34/800204434.db2.gz XLUQJRUDNMPQLS-UHFFFAOYSA-N 1 0 301.434 2.245 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(N)CC[NH2+]C3)n2)cc1 ZINC001204874315 800269168 /nfs/dbraw/zinc/26/91/68/800269168.db2.gz OJSQSOBFOUZQNA-SFHVURJKSA-N 1 0 323.400 2.291 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001206322018 800508845 /nfs/dbraw/zinc/50/88/45/800508845.db2.gz ZUCLLZJQZDGPIT-KRWDZBQOSA-N 1 0 307.390 2.484 20 10 DECDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001206361007 800518063 /nfs/dbraw/zinc/51/80/63/800518063.db2.gz CUENAQXWNLOOIF-CQSZACIVSA-N 1 0 302.777 2.404 20 10 DECDRO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000935310789 800623153 /nfs/dbraw/zinc/62/31/53/800623153.db2.gz MGMCPMBVYBCJMY-JSGCOSHPSA-N 1 0 306.406 2.018 20 10 DECDRO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000935310791 800623271 /nfs/dbraw/zinc/62/32/71/800623271.db2.gz MGMCPMBVYBCJMY-TZMCWYRMSA-N 1 0 306.406 2.018 20 10 DECDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC001207130083 800689827 /nfs/dbraw/zinc/68/98/27/800689827.db2.gz WNDDRKLEQBCWRH-OAHLLOKOSA-N 1 0 300.333 2.448 20 10 DECDRO COc1ccc(N2CC[NH+](CCCn3cccn3)CC2)c(C)c1 ZINC001208084179 800910131 /nfs/dbraw/zinc/91/01/31/800910131.db2.gz OPSCEOMTIYUAOX-UHFFFAOYSA-N 1 0 314.433 2.412 20 10 DECDRO CCOc1ccc(N2CC[NH+](C[C@@H](C)C(=O)OC)CC2)cc1 ZINC001208726659 801056404 /nfs/dbraw/zinc/05/64/04/801056404.db2.gz QNQIUQCKWMLOBQ-CQSZACIVSA-N 1 0 306.406 2.016 20 10 DECDRO CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001208977408 801106485 /nfs/dbraw/zinc/10/64/85/801106485.db2.gz VVZTYXUHTIHRSD-KRWDZBQOSA-N 1 0 303.450 2.443 20 10 DECDRO CCOC(=O)c1c(CN2CC(C[NH2+]C)C2)c2ccccc2n1C ZINC001210561503 801424311 /nfs/dbraw/zinc/42/43/11/801424311.db2.gz NOCWBRVTUKDDQU-UHFFFAOYSA-N 1 0 315.417 2.006 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(O)cc1O ZINC001231639618 801702450 /nfs/dbraw/zinc/70/24/50/801702450.db2.gz XHPCGJGXRVMWLA-ZDUSSCGKSA-N 1 0 316.357 2.155 20 10 DECDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(O)c1 ZINC001231843633 801736121 /nfs/dbraw/zinc/73/61/21/801736121.db2.gz CCBKPBNFHOKVIE-RDJZCZTQSA-N 1 0 314.429 2.309 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001231851042 801737336 /nfs/dbraw/zinc/73/73/36/801737336.db2.gz YCFFGYDPHNBFKK-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO Cc1cc(C)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c1 ZINC001231850035 801737450 /nfs/dbraw/zinc/73/74/50/801737450.db2.gz ZFPQJPMPLCPMDZ-UHFFFAOYSA-N 1 0 302.418 2.453 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001231858054 801738298 /nfs/dbraw/zinc/73/82/98/801738298.db2.gz QRJKXSCKHKMQAU-SFHVURJKSA-N 1 0 318.417 2.433 20 10 DECDRO Cc1cc(O)c(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)cc1Cl ZINC001231870523 801742417 /nfs/dbraw/zinc/74/24/17/801742417.db2.gz HSPZQVMSFPUTFS-CYBMUJFWSA-N 1 0 310.825 2.259 20 10 DECDRO CN(Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC001232203290 801816562 /nfs/dbraw/zinc/81/65/62/801816562.db2.gz SHODONNNOIGHLA-OAHLLOKOSA-N 1 0 323.868 2.313 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1Cl ZINC001232262306 801832012 /nfs/dbraw/zinc/83/20/12/801832012.db2.gz BPBYQIZUZLKGCK-LLVKDONJSA-N 1 0 308.769 2.180 20 10 DECDRO CN(C)c1ccc(CN2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001232840295 801969201 /nfs/dbraw/zinc/96/92/01/801969201.db2.gz RTUXSONVOLMXQZ-ZDUSSCGKSA-N 1 0 304.312 2.221 20 10 DECDRO Oc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cc(O)c1O ZINC001233011527 802002179 /nfs/dbraw/zinc/00/21/79/802002179.db2.gz CFJZFQSGJHCFQM-CQSZACIVSA-N 1 0 300.358 2.406 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1 ZINC001233284001 802063848 /nfs/dbraw/zinc/06/38/48/802063848.db2.gz DLQOSDQHHARNFC-FUHWJXTLSA-N 1 0 307.434 2.255 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1O ZINC001233288421 802064818 /nfs/dbraw/zinc/06/48/18/802064818.db2.gz KJPUVNAFLMIOCG-MRXNPFEDSA-N 1 0 324.808 2.156 20 10 DECDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC3(CNC(=O)N3)CC2)c1 ZINC001233286700 802064847 /nfs/dbraw/zinc/06/48/47/802064847.db2.gz FXOGXDJARSGQEL-UHFFFAOYSA-N 1 0 317.433 2.337 20 10 DECDRO COC(=O)[C@@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451869 802120535 /nfs/dbraw/zinc/12/05/35/802120535.db2.gz CEPRMHHPQXFKMC-CYBMUJFWSA-N 1 0 321.270 2.498 20 10 DECDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)CCN12 ZINC001233454974 802121015 /nfs/dbraw/zinc/12/10/15/802121015.db2.gz QUVOLCVHUHRFMP-GFCCVEGCSA-N 1 0 314.307 2.218 20 10 DECDRO Oc1cc(C(F)(F)F)ccc1CN1CC(N2CC(F)C2)C1 ZINC001233451671 802121498 /nfs/dbraw/zinc/12/14/98/802121498.db2.gz UWLBERGNLDHZND-UHFFFAOYSA-N 1 0 304.287 2.249 20 10 DECDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233454075 802121691 /nfs/dbraw/zinc/12/16/91/802121691.db2.gz GBXHUYGAHSUNJB-LLVKDONJSA-N 1 0 302.296 2.251 20 10 DECDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487160 802127544 /nfs/dbraw/zinc/12/75/44/802127544.db2.gz SJQRKTJNCICJLV-UHFFFAOYSA-N 1 0 322.405 2.025 20 10 DECDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3C[NH2+]C[C@@H]3F)ccc21 ZINC001217999409 802130226 /nfs/dbraw/zinc/13/02/26/802130226.db2.gz FLTIIRHKLWXCIT-JKSUJKDBSA-N 1 0 311.312 2.151 20 10 DECDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C=CC[NH2+]C3)ccc(O)c21 ZINC001218330551 802168685 /nfs/dbraw/zinc/16/86/85/802168685.db2.gz GTALANNCUOGOML-NSHDSACASA-N 1 0 321.332 2.074 20 10 DECDRO OC[C@@H]1C[C@H](F)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727979 802190681 /nfs/dbraw/zinc/19/06/81/802190681.db2.gz SMDBXYHYTDYJJB-KOLCDFICSA-N 1 0 323.286 2.443 20 10 DECDRO Oc1c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727760 802191370 /nfs/dbraw/zinc/19/13/70/802191370.db2.gz PHDWTIBLGQBANL-UWVGGRQHSA-N 1 0 309.259 2.196 20 10 DECDRO O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccc(O)c(O)c1Cl ZINC001219782779 802377402 /nfs/dbraw/zinc/37/74/02/802377402.db2.gz DTMMQXBNXGEVIX-UHFFFAOYSA-N 1 0 310.781 2.013 20 10 DECDRO O=c1cc(-c2cnn(CC[NH+]3CCCC3)c2)ccn1CC1CC1 ZINC001222499365 802695950 /nfs/dbraw/zinc/69/59/50/802695950.db2.gz CQQQSQMYLZOABI-UHFFFAOYSA-N 1 0 312.417 2.218 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC001222634316 802719098 /nfs/dbraw/zinc/71/90/98/802719098.db2.gz AEXOISUXRWYHPQ-RTBURBONSA-N 1 0 311.429 2.267 20 10 DECDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(N)cc3)cn2)CCO1 ZINC001334753465 1150339130 /nfs/dbraw/zinc/33/91/30/1150339130.db2.gz DSLWMCMIFLCLFY-AWEZNQCLSA-N 1 0 312.417 2.179 20 10 DECDRO C/C(=C/C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)c1cnccn1 ZINC001574971468 1069314802 /nfs/dbraw/zinc/31/48/02/1069314802.db2.gz DIUCIRMTUIRLOF-YLHGKKIISA-N 1 0 308.385 2.044 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1O ZINC001346660514 1151012428 /nfs/dbraw/zinc/01/24/28/1151012428.db2.gz OPGJECSRYNGTLL-NZBPQXDJSA-N 1 0 303.406 2.093 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C[NH2+]C)cc1F ZINC001328712516 1148826805 /nfs/dbraw/zinc/82/68/05/1148826805.db2.gz BHIGMZNKSVOWOG-ZDUSSCGKSA-N 1 0 324.444 2.327 20 10 DECDRO C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1)c1ccccc1O ZINC001471195914 1060193446 /nfs/dbraw/zinc/19/34/46/1060193446.db2.gz RAMHJOWZDHGAQW-GFCCVEGCSA-N 1 0 308.341 2.464 20 10 DECDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC001472331244 1060476345 /nfs/dbraw/zinc/47/63/45/1060476345.db2.gz PQOGAGPUOONKIH-ZFWWWQNUSA-N 1 0 318.417 2.433 20 10 DECDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1 ZINC001474602115 1060904169 /nfs/dbraw/zinc/90/41/69/1060904169.db2.gz KKGFQJWHZTZDBZ-CQSZACIVSA-N 1 0 300.406 2.291 20 10 DECDRO CC[C@H](OC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480131925 1062364768 /nfs/dbraw/zinc/36/47/68/1062364768.db2.gz ZQVCZTZOAIJADQ-JYJNAYRXSA-N 1 0 320.433 2.165 20 10 DECDRO CCOC(=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001615220026 1078127184 /nfs/dbraw/zinc/12/71/84/1078127184.db2.gz WWQDKEYXPJNGDI-UHFFFAOYSA-N 1 0 320.433 2.297 20 10 DECDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001633183165 1078400135 /nfs/dbraw/zinc/40/01/35/1078400135.db2.gz HZOZUGRNGNDILF-UHFFFAOYSA-N 1 0 320.433 2.365 20 10 DECDRO COc1cc(CN2CC3(C2)CC[NH2+]C3)c(O)c(C(C)(C)C)c1 ZINC001579150422 1067243987 /nfs/dbraw/zinc/24/39/87/1067243987.db2.gz JTEHWOPVZDVQAB-UHFFFAOYSA-N 1 0 304.434 2.494 20 10 DECDRO Cc1cc(C(=O)NC2([C@@H]3CC[NH2+]C3)CC2)c(C)n1-c1ccccn1 ZINC001579560463 1067370510 /nfs/dbraw/zinc/37/05/10/1067370510.db2.gz ZLYAWTSNWFPADC-OAHLLOKOSA-N 1 0 324.428 2.361 20 10 DECDRO [NH3+]Cc1nccnc1N(Cc1ccco1)Cc1ccccc1O ZINC001639706911 1078625307 /nfs/dbraw/zinc/62/53/07/1078625307.db2.gz FDLSIYJNFUYPAH-UHFFFAOYSA-N 1 0 310.357 2.441 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC2(F)F)cc1C ZINC001267370794 1078799835 /nfs/dbraw/zinc/79/98/35/1078799835.db2.gz QZBVRDCXNWWNDB-CYBMUJFWSA-N 1 0 312.360 2.207 20 10 DECDRO CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](CC)C[NH2+]1 ZINC001573717707 1069077398 /nfs/dbraw/zinc/07/73/98/1069077398.db2.gz HAPJPLOAAQVHHJ-RTIZMKJZSA-N 1 0 304.390 2.100 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)c(O)c1 ZINC001520145098 1069102464 /nfs/dbraw/zinc/10/24/64/1069102464.db2.gz CWGOVPRGCFOJAG-BPLDGKMQSA-N 1 0 318.417 2.137 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccc[nH]2)cc1C ZINC001267471632 1078889871 /nfs/dbraw/zinc/88/98/71/1078889871.db2.gz NHQUZTZGCIGISB-UHFFFAOYSA-N 1 0 315.417 2.122 20 10 DECDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(O)ccc2O)o1 ZINC001558174122 1075084468 /nfs/dbraw/zinc/08/44/68/1075084468.db2.gz FARMVUPRJSHFFK-UHFFFAOYSA-N 1 0 318.373 2.463 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC001560385217 1075139143 /nfs/dbraw/zinc/13/91/43/1075139143.db2.gz QQOZFOAIDUKDQI-KSSFIOAISA-N 1 0 301.434 2.295 20 10 DECDRO CC(C)(CC[NH2+]Cc1ccc(Cl)cc1O)S(C)(=O)=O ZINC001560888632 1075147745 /nfs/dbraw/zinc/14/77/45/1075147745.db2.gz CDSQOGYTLHUSDO-UHFFFAOYSA-N 1 0 305.827 2.349 20 10 DECDRO O=C(CCCCC1CC[NH2+]CC1)NCc1c(O)cccc1O ZINC001580528470 1075944915 /nfs/dbraw/zinc/94/49/15/1075944915.db2.gz KNJAMNNLDPRWGQ-UHFFFAOYSA-N 1 0 306.406 2.274 20 10 DECDRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001580713569 1075981466 /nfs/dbraw/zinc/98/14/66/1075981466.db2.gz CJKKMIJQCZKCIX-NVXWUHKLSA-N 1 0 319.424 2.241 20 10 DECDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817630 1076255578 /nfs/dbraw/zinc/25/55/78/1076255578.db2.gz CDHZJSBJGIHQFZ-KYJSFNMBSA-N 1 0 313.445 2.386 20 10 DECDRO C[C@@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001589972342 1076540649 /nfs/dbraw/zinc/54/06/49/1076540649.db2.gz BDBMOWBXVMYORX-GFCCVEGCSA-N 1 0 323.404 2.179 20 10 DECDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001597056378 1077088007 /nfs/dbraw/zinc/08/80/07/1077088007.db2.gz DOGZXHLWWOOUSQ-ZDUSSCGKSA-N 1 0 308.422 2.267 20 10 DECDRO C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001609778754 1077921871 /nfs/dbraw/zinc/92/18/71/1077921871.db2.gz JKDLJTOGZCRDHZ-GFCCVEGCSA-N 1 0 306.406 2.473 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001651240429 1079798031 /nfs/dbraw/zinc/79/80/31/1079798031.db2.gz XHHMHSGKBGRGAB-LBPRGKRZSA-N 1 0 315.348 2.069 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC3(C2)OCCO3)c1O ZINC001652022652 1079846540 /nfs/dbraw/zinc/84/65/40/1079846540.db2.gz WZWDDJBCBLNDOA-LBPRGKRZSA-N 1 0 313.781 2.439 20 10 DECDRO NC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(F)cc1 ZINC001652025490 1079846681 /nfs/dbraw/zinc/84/66/81/1079846681.db2.gz RWERONNAGQBGJN-CYBMUJFWSA-N 1 0 320.339 2.104 20 10 DECDRO COC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001655657050 1080009785 /nfs/dbraw/zinc/00/97/85/1080009785.db2.gz FMYFXMLBNFUOMV-KRWDZBQOSA-N 1 0 323.456 2.338 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC001656035086 1080031202 /nfs/dbraw/zinc/03/12/02/1080031202.db2.gz QDRVCZDDMLERIN-QGZVFWFLSA-N 1 0 302.422 2.090 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)ccc1OC ZINC001656814235 1080125690 /nfs/dbraw/zinc/12/56/90/1080125690.db2.gz MLKBSDWCNITVFY-RDTXWAMCSA-N 1 0 322.449 2.040 20 10 DECDRO CC[C@H](CCO)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657413946 1080172968 /nfs/dbraw/zinc/17/29/68/1080172968.db2.gz DADSBYQGCKWKHI-OAHLLOKOSA-N 1 0 323.456 2.076 20 10 DECDRO Oc1ccc(F)cc1C[NH2+]Cc1cnc(Br)cn1 ZINC001658726722 1080217342 /nfs/dbraw/zinc/21/73/42/1080217342.db2.gz LFBQISPLXGNQOY-UHFFFAOYSA-N 1 0 312.142 2.374 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](OC)C2CC2)cc1C ZINC001662207996 1080584437 /nfs/dbraw/zinc/58/44/37/1080584437.db2.gz UEEMMKHOOFAHKS-SUMWQHHRSA-N 1 0 320.433 2.023 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@@H]([S@@](C)=O)C2)cc1F ZINC001663405856 1080742357 /nfs/dbraw/zinc/74/23/57/1080742357.db2.gz UMIHHZAGCVTPTB-JWCBKOKGSA-N 1 0 316.417 2.420 20 10 DECDRO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001665577195 1081041864 /nfs/dbraw/zinc/04/18/64/1081041864.db2.gz UKBRYKNFKBRIBG-ZDUSSCGKSA-N 1 0 300.761 2.081 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001674632385 1081895435 /nfs/dbraw/zinc/89/54/35/1081895435.db2.gz AKDVJQQMNCXZPO-QWHCGFSZSA-N 1 0 316.405 2.023 20 10 DECDRO CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266669991 1082265871 /nfs/dbraw/zinc/26/58/71/1082265871.db2.gz MTEHPIHDMOSHOV-CWRNSKLLSA-N 1 0 320.433 2.165 20 10 DECDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706883269 1082292108 /nfs/dbraw/zinc/29/21/08/1082292108.db2.gz LCKBAWXBCARSNV-ZKANADHPSA-N 1 0 306.225 2.011 20 10 DECDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001276529648 1083482123 /nfs/dbraw/zinc/48/21/23/1083482123.db2.gz IOMPDQSCXHITND-PWSUYJOCSA-N 1 0 316.323 2.427 20 10 DECDRO C[N@@H+]1CCC12CN(Cc1ccc(N3CCOCC3)c(Cl)c1)C2 ZINC001276593604 1083505403 /nfs/dbraw/zinc/50/54/03/1083505403.db2.gz KUKOHQRKGHOEDQ-UHFFFAOYSA-N 1 0 321.852 2.067 20 10 DECDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)cc1 ZINC001277207357 1083846877 /nfs/dbraw/zinc/84/68/77/1083846877.db2.gz STYFXXHFZAEJFP-QGZVFWFLSA-N 1 0 309.413 2.401 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NCC(F)F)c(O)c1 ZINC001277567999 1084039974 /nfs/dbraw/zinc/03/99/74/1084039974.db2.gz JWNOKKSOBZJBHF-WBMJQRKESA-N 1 0 310.344 2.046 20 10 DECDRO Cc1ccc(C)n1-c1ccc(CN2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC001234977061 1084256633 /nfs/dbraw/zinc/25/66/33/1084256633.db2.gz YTKATWGHTQBEFM-HXUWFJFHSA-N 1 0 324.472 2.184 20 10 DECDRO Cc1cc(O)c(CN2CC3(C2)CCC[NH2+]3)cc1Br ZINC001235206145 1084344871 /nfs/dbraw/zinc/34/48/71/1084344871.db2.gz SEBRBWGGFLEKBL-UHFFFAOYSA-N 1 0 311.223 2.401 20 10 DECDRO COC(=O)C[C@@H]1C[NH2+]CCN1Cc1cccc(C(C)(C)C)c1O ZINC001235847287 1084546228 /nfs/dbraw/zinc/54/62/28/1084546228.db2.gz SOUFRZDCLFTTCE-CQSZACIVSA-N 1 0 320.433 2.027 20 10 DECDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(N3CCOCC3)cc1Cl)C2 ZINC001235984586 1084581243 /nfs/dbraw/zinc/58/12/43/1084581243.db2.gz BWVLPHQDNHEIQO-WMLDXEAASA-N 1 0 321.852 2.100 20 10 DECDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)cc1OC ZINC001276368536 1085838478 /nfs/dbraw/zinc/83/84/78/1085838478.db2.gz NPXBNRYAXZXTBQ-ZXFUBFMLSA-N 1 0 303.450 2.476 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC001626080149 1085987556 /nfs/dbraw/zinc/98/75/56/1085987556.db2.gz YAYIRZZDKCSWNG-GXTWGEPZSA-N 1 0 306.406 2.137 20 10 DECDRO CCOC[C@@H]1Cn2nccc2CN(Cc2c(O)cccc2F)C1 ZINC001137836258 1086587598 /nfs/dbraw/zinc/58/75/98/1086587598.db2.gz XJGSHVHWAZZJBS-ZDUSSCGKSA-N 1 0 319.380 2.396 20 10 DECDRO CN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001273284056 1090707911 /nfs/dbraw/zinc/70/79/11/1090707911.db2.gz DCBNOKFREBSGFV-QGZVFWFLSA-N 1 0 306.381 2.366 20 10 DECDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c1O ZINC001276080250 1091514809 /nfs/dbraw/zinc/51/48/09/1091514809.db2.gz LZHJLGHXIWLPHX-IYBDPMFKSA-N 1 0 317.433 2.467 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c(O)c1 ZINC001276169607 1091630067 /nfs/dbraw/zinc/63/00/67/1091630067.db2.gz SWUJIOXOISYEQB-DOTOQJQBSA-N 1 0 312.417 2.130 20 10 DECDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(O)c1 ZINC001276169725 1091630614 /nfs/dbraw/zinc/63/06/14/1091630614.db2.gz VGMNUPBSCVSGBR-IYBDPMFKSA-N 1 0 317.433 2.467 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001275270876 1091646710 /nfs/dbraw/zinc/64/67/10/1091646710.db2.gz NQGLVYMSBPVUTO-SFHVURJKSA-N 1 0 320.433 2.088 20 10 DECDRO [NH3+]C[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236250690 1138344070 /nfs/dbraw/zinc/34/40/70/1138344070.db2.gz JVAMJFURVXPGFL-OAHLLOKOSA-N 1 0 309.841 2.100 20 10 DECDRO CCOc1ccc(N2CCN(C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236434963 1138362677 /nfs/dbraw/zinc/36/26/77/1138362677.db2.gz ZLYJQWWEMQXNSJ-INIZCTEOSA-N 1 0 303.450 2.349 20 10 DECDRO COc1cc(C[N@H+]2CC[C@H](OC)C2)c(O)cc1Br ZINC001236749159 1138406021 /nfs/dbraw/zinc/40/60/21/1138406021.db2.gz YZBSBVROAZCEMH-JTQLQIEISA-N 1 0 316.195 2.384 20 10 DECDRO CCc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(O)c1 ZINC001236788795 1138428307 /nfs/dbraw/zinc/42/83/07/1138428307.db2.gz QLOOAZMOTIAHGX-ZIAGYGMSSA-N 1 0 304.434 2.248 20 10 DECDRO CCc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c1 ZINC001236792993 1138429307 /nfs/dbraw/zinc/42/93/07/1138429307.db2.gz VBVQJBYMNRTDFV-UHFFFAOYSA-N 1 0 302.418 2.399 20 10 DECDRO COc1cc(C)c(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001236812563 1138436542 /nfs/dbraw/zinc/43/65/42/1138436542.db2.gz BHKCSJJPDJUISB-OKILXGFUSA-N 1 0 320.433 2.003 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(O)c1 ZINC001236817007 1138438977 /nfs/dbraw/zinc/43/89/77/1138438977.db2.gz AGRGHLRVELHMRV-GFCCVEGCSA-N 1 0 303.362 2.390 20 10 DECDRO Oc1cc2ccccc2cc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001236826086 1138440759 /nfs/dbraw/zinc/44/07/59/1138440759.db2.gz GKBJUXJXUWFEAR-SFHVURJKSA-N 1 0 312.413 2.452 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001237048800 1138488935 /nfs/dbraw/zinc/48/89/35/1138488935.db2.gz WMKPODFCIMGOHD-XJKSGUPXSA-N 1 0 318.417 2.234 20 10 DECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C2)c(Br)c1 ZINC001237058765 1138493065 /nfs/dbraw/zinc/49/30/65/1138493065.db2.gz AHPRNUKLHMKHLY-SECBINFHSA-N 1 0 316.195 2.384 20 10 DECDRO C[N@H+](CCC1OCCO1)Cc1c(O)cccc1OC(F)(F)F ZINC001237121883 1138508154 /nfs/dbraw/zinc/50/81/54/1138508154.db2.gz BQBRAGNPMITKMW-UHFFFAOYSA-N 1 0 321.295 2.486 20 10 DECDRO CC[C@@H]([NH3+])CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237206424 1138533570 /nfs/dbraw/zinc/53/35/70/1138533570.db2.gz VGUGVRXEQYNILF-GFCCVEGCSA-N 1 0 317.355 2.445 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(C)cccc2O)CC1 ZINC001237490627 1138656238 /nfs/dbraw/zinc/65/62/38/1138656238.db2.gz YAAJJSYOTOFIQJ-ZDUSSCGKSA-N 1 0 305.374 2.045 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237679012 1138753606 /nfs/dbraw/zinc/75/36/06/1138753606.db2.gz SOPIOJVFIWBSNM-KRWDZBQOSA-N 1 0 323.389 2.185 20 10 DECDRO COc1cc(C[NH+]2CCC(n3cccn3)CC2)c(O)c(OC)c1 ZINC001237681188 1138756356 /nfs/dbraw/zinc/75/63/56/1138756356.db2.gz PXTZSCJHMMQICV-UHFFFAOYSA-N 1 0 317.389 2.443 20 10 DECDRO COC[C@H]1CN(Cc2cc(F)cc(C)c2O)Cc2ncn(C)c21 ZINC001238060798 1138819440 /nfs/dbraw/zinc/81/94/40/1138819440.db2.gz JFJMCNBJKXFCHY-CYBMUJFWSA-N 1 0 319.380 2.319 20 10 DECDRO NC(=O)[C@H]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001278254781 1138860272 /nfs/dbraw/zinc/86/02/72/1138860272.db2.gz HXIDLTRQFQASNL-LBPRGKRZSA-N 1 0 306.381 2.399 20 10 DECDRO O=C(N1CCCCO1)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001278257469 1138861384 /nfs/dbraw/zinc/86/13/84/1138861384.db2.gz XGYJSSGRTBVZLL-UHFFFAOYSA-N 1 0 320.364 2.098 20 10 DECDRO Cn1c(=O)cnc2ccc(-c3cnn(C4CC[NH+](C)CC4)c3)cc21 ZINC001242728434 1140023627 /nfs/dbraw/zinc/02/36/27/1140023627.db2.gz QIRGMHVFFIPYFF-UHFFFAOYSA-N 1 0 323.400 2.064 20 10 DECDRO CCCOC[C@@H](O)CNc1ccccc1OCC1CC[NH2+]CC1 ZINC001245973610 1140839945 /nfs/dbraw/zinc/83/99/45/1140839945.db2.gz RQZSSBGVKBNXFJ-INIZCTEOSA-N 1 0 322.449 2.264 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC1CS(=O)(=O)C1 ZINC001320750278 1140908649 /nfs/dbraw/zinc/90/86/49/1140908649.db2.gz IWIVITORSLURQA-YPMHNXCESA-N 1 0 309.431 2.273 20 10 DECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320968394 1141011434 /nfs/dbraw/zinc/01/14/34/1141011434.db2.gz ZDXDKQYHSXOIBD-KDOFPFPSSA-N 1 0 321.440 2.235 20 10 DECDRO CC[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(C)cc1O ZINC001321072419 1141047479 /nfs/dbraw/zinc/04/74/79/1141047479.db2.gz IXIQUTWUTBBLCO-KRWDZBQOSA-N 1 0 306.450 2.446 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001321813777 1141348512 /nfs/dbraw/zinc/34/85/12/1141348512.db2.gz JQXYYPRPSAJQOX-ZDUSSCGKSA-N 1 0 320.433 2.213 20 10 DECDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC001322264389 1141498324 /nfs/dbraw/zinc/49/83/24/1141498324.db2.gz SUOFEVUTMIVKFF-TZMCWYRMSA-N 1 0 309.337 2.165 20 10 DECDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001249178454 1141857061 /nfs/dbraw/zinc/85/70/61/1141857061.db2.gz RQTXQGNXTUOXTG-ZBFHGGJFSA-N 1 0 313.344 2.380 20 10 DECDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cncs2)c(O)c1 ZINC001249213929 1141860113 /nfs/dbraw/zinc/86/01/13/1141860113.db2.gz CUNRWRZSKGTZDV-UHFFFAOYSA-N 1 0 306.387 2.196 20 10 DECDRO COC(=O)Cc1ccc(C[NH+]2CC(c3cccnc3)C2)c(O)c1 ZINC001249208167 1141860237 /nfs/dbraw/zinc/86/02/37/1141860237.db2.gz ODBMQVDEOGURFA-UHFFFAOYSA-N 1 0 312.369 2.102 20 10 DECDRO CC(C)OC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC001252695255 1142808530 /nfs/dbraw/zinc/80/85/30/1142808530.db2.gz SUKLHJHXPZBGKA-LBPRGKRZSA-N 1 0 318.211 2.030 20 10 DECDRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2O)c1 ZINC001253957519 1143011329 /nfs/dbraw/zinc/01/13/29/1143011329.db2.gz IJXGSCFDUNYHFP-HNNXBMFYSA-N 1 0 317.385 2.273 20 10 DECDRO COc1ccc(N2CCN([C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254852227 1143336747 /nfs/dbraw/zinc/33/67/47/1143336747.db2.gz FLPGWIFGXAUODA-SFHVURJKSA-N 1 0 315.461 2.302 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC001254961963 1143374017 /nfs/dbraw/zinc/37/40/17/1143374017.db2.gz BREAZXHQUOYCLA-SFHVURJKSA-N 1 0 318.417 2.099 20 10 DECDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001341351572 1143588316 /nfs/dbraw/zinc/58/83/16/1143588316.db2.gz SZIKNGCTMLIBHK-VBQJREDUSA-N 1 0 319.449 2.154 20 10 DECDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC001342333686 1143811919 /nfs/dbraw/zinc/81/19/19/1143811919.db2.gz QWYCFOOCYFJFRG-SFHVURJKSA-N 1 0 311.385 2.041 20 10 DECDRO CCOC(=O)N1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256245660 1143838579 /nfs/dbraw/zinc/83/85/79/1143838579.db2.gz NDQFVASVUKTHRJ-UHFFFAOYSA-N 1 0 304.390 2.371 20 10 DECDRO CC[C@@H](OC)C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265756806 1144737852 /nfs/dbraw/zinc/73/78/52/1144737852.db2.gz LMQBHHJSHOMDIV-DZGCQCFKSA-N 1 0 308.422 2.023 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCOC2)cc1F ZINC001308353990 1147468323 /nfs/dbraw/zinc/46/83/23/1147468323.db2.gz KGZSOXQYOYMBPO-HOCLYGCPSA-N 1 0 310.413 2.159 20 10 DECDRO COC1(OC)CCOC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001308508201 1147477333 /nfs/dbraw/zinc/47/73/33/1147477333.db2.gz UWXPKHUVBWHKAY-RTRPANQVSA-N 1 0 320.433 2.133 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C1(S(C)(=O)=O)CC1 ZINC001308755674 1147485337 /nfs/dbraw/zinc/48/53/37/1147485337.db2.gz LLNNWMANXDWLOU-SECBINFHSA-N 1 0 303.811 2.101 20 10 DECDRO CC[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]C1 ZINC001326053132 1148035470 /nfs/dbraw/zinc/03/54/70/1148035470.db2.gz ZJKNBSRULCIMSK-SFHVURJKSA-N 1 0 302.418 2.277 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001326483117 1148112573 /nfs/dbraw/zinc/11/25/73/1148112573.db2.gz BUHVZLQHFKMETQ-DZGCQCFKSA-N 1 0 323.433 2.477 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000092706403 185334501 /nfs/dbraw/zinc/33/45/01/185334501.db2.gz JVNNZSOVOLTZRD-AWEZNQCLSA-N 1 0 320.433 2.385 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000375690410 529780543 /nfs/dbraw/zinc/78/05/43/529780543.db2.gz HDJWQZLHWNHECB-QGZVFWFLSA-N 1 0 314.433 2.421 20 10 DECDRO CN(C)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1F ZINC000266187488 282290052 /nfs/dbraw/zinc/29/00/52/282290052.db2.gz XJISIMXMKPLZPC-UHFFFAOYSA-N 1 0 316.442 2.195 20 10 DECDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418096061 529983071 /nfs/dbraw/zinc/98/30/71/529983071.db2.gz HRZSSKBBNMSOHD-GFCCVEGCSA-N 1 0 302.422 2.141 20 10 DECDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000093866104 355689199 /nfs/dbraw/zinc/68/91/99/355689199.db2.gz YTRQUJQFJLLRPL-OAHLLOKOSA-N 1 0 300.358 2.449 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000091856008 193118211 /nfs/dbraw/zinc/11/82/11/193118211.db2.gz RQBYOMYYADUSMV-ZFWWWQNUSA-N 1 0 309.431 2.497 20 10 DECDRO Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(O)c1O ZINC000273053149 130086326 /nfs/dbraw/zinc/08/63/26/130086326.db2.gz XBONFXGUWQETFG-LBPRGKRZSA-N 1 0 306.406 2.209 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc2c(cc1O)CCCC2 ZINC000273592793 130142509 /nfs/dbraw/zinc/14/25/09/130142509.db2.gz PQUNOARZOKNHJA-PBHICJAKSA-N 1 0 317.477 2.167 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CC[C@H](O)c1ccccc1)OCO2 ZINC000289393760 131382685 /nfs/dbraw/zinc/38/26/85/131382685.db2.gz FINYLPXVZVVVFP-AWEZNQCLSA-N 1 0 301.342 2.334 20 10 DECDRO CN(Cc1ccccc1O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297427605 132015018 /nfs/dbraw/zinc/01/50/18/132015018.db2.gz HZRJIEDGLKRVOR-GOOCMWNKSA-N 1 0 303.406 2.159 20 10 DECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000111884023 401727332 /nfs/dbraw/zinc/72/73/32/401727332.db2.gz USLPLEPKBRCOAH-HNNXBMFYSA-N 1 0 305.422 2.408 20 10 DECDRO CCOc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1O ZINC000074336685 401735923 /nfs/dbraw/zinc/73/59/23/401735923.db2.gz XQLOYOVTVJIWJL-HNNXBMFYSA-N 1 0 309.406 2.466 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1C ZINC000093669054 402018936 /nfs/dbraw/zinc/01/89/36/402018936.db2.gz IMNNENDJKCUUKJ-UHFFFAOYSA-N 1 0 317.433 2.389 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000122722259 402092178 /nfs/dbraw/zinc/09/21/78/402092178.db2.gz DYROUNSOHCKNDJ-OAHLLOKOSA-N 1 0 306.406 2.234 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153186198 402131398 /nfs/dbraw/zinc/13/13/98/402131398.db2.gz LQCBANHGXZREJJ-KGLIPLIRSA-N 1 0 308.397 2.349 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153186088 402131868 /nfs/dbraw/zinc/13/18/68/402131868.db2.gz LQCBANHGXZREJJ-KBPBESRZSA-N 1 0 308.397 2.349 20 10 DECDRO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000154934055 402238981 /nfs/dbraw/zinc/23/89/81/402238981.db2.gz HSWIBRGTVBXXMY-OAHLLOKOSA-N 1 0 305.399 2.268 20 10 DECDRO CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000069009954 402211616 /nfs/dbraw/zinc/21/16/16/402211616.db2.gz XKDLCXJMOLVCNQ-UHFFFAOYSA-N 1 0 321.421 2.229 20 10 DECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184682046 402291568 /nfs/dbraw/zinc/29/15/68/402291568.db2.gz ULKYNBFKARXSOF-VIFPVBQESA-N 1 0 301.770 2.295 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176557219 402319502 /nfs/dbraw/zinc/31/95/02/402319502.db2.gz OCUJWYXOIOTPKR-CABCVRRESA-N 1 0 305.422 2.406 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(O)c1O ZINC000177677213 402425615 /nfs/dbraw/zinc/42/56/15/402425615.db2.gz DQJAJYYIBIQMHU-ZDUSSCGKSA-N 1 0 306.406 2.256 20 10 DECDRO COc1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186488923 402435553 /nfs/dbraw/zinc/43/55/53/402435553.db2.gz FEKCRGSDXMVFDH-UHFFFAOYSA-N 1 0 309.431 2.499 20 10 DECDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC000165070760 402472698 /nfs/dbraw/zinc/47/26/98/402472698.db2.gz YGQDFCKKYATBSK-PBHICJAKSA-N 1 0 319.449 2.041 20 10 DECDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1O ZINC000179564105 402594392 /nfs/dbraw/zinc/59/43/92/402594392.db2.gz CXBNIPIOERCVKF-GFCCVEGCSA-N 1 0 320.414 2.233 20 10 DECDRO CCc1nsc(N2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000179579678 402595409 /nfs/dbraw/zinc/59/54/09/402595409.db2.gz JFWXDZICJCQYEF-UHFFFAOYSA-N 1 0 304.419 2.128 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000192910526 402756479 /nfs/dbraw/zinc/75/64/79/402756479.db2.gz ARGSRUDTRFHDQC-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(O)c1O ZINC000193127442 402766251 /nfs/dbraw/zinc/76/62/51/402766251.db2.gz LRPYRPVCMWEMFQ-UHFFFAOYSA-N 1 0 304.390 2.235 20 10 DECDRO CS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263643176 402785273 /nfs/dbraw/zinc/78/52/73/402785273.db2.gz ALTJKOQOUCZGQO-UHFFFAOYSA-N 1 0 305.399 2.193 20 10 DECDRO COc1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1O ZINC000183668600 402787122 /nfs/dbraw/zinc/78/71/22/402787122.db2.gz MIVHEJYDQOCAJE-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO COc1c(O)c(C[N@H+](C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278238652 402862028 /nfs/dbraw/zinc/86/20/28/402862028.db2.gz NOWWSKNBQMSDQK-LBPRGKRZSA-N 1 0 310.350 2.310 20 10 DECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N(C)C)cc1 ZINC000278878472 402881189 /nfs/dbraw/zinc/88/11/89/402881189.db2.gz OYEBYOOYPHTZAD-INIZCTEOSA-N 1 0 317.477 2.438 20 10 DECDRO CCN(CC)C(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000271734241 402883277 /nfs/dbraw/zinc/88/32/77/402883277.db2.gz NYMCWORSRCVBHA-UHFFFAOYSA-N 1 0 305.422 2.280 20 10 DECDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000264599259 402890500 /nfs/dbraw/zinc/89/05/00/402890500.db2.gz NBWJCKAJQQXUTD-KRWDZBQOSA-N 1 0 303.450 2.097 20 10 DECDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279666405 402960386 /nfs/dbraw/zinc/96/03/86/402960386.db2.gz OHKAFXBABNVLIY-UHFFFAOYSA-N 1 0 317.355 2.467 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000279954726 402965880 /nfs/dbraw/zinc/96/58/80/402965880.db2.gz ZTJVGPXTPNBKSU-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NCC(F)F)cc1F ZINC000280276582 402982770 /nfs/dbraw/zinc/98/27/70/402982770.db2.gz LGRBXTKZFPYWNX-UHFFFAOYSA-N 1 0 317.355 2.143 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CCOCCO)c(C(F)(F)F)c1 ZINC000282266726 403138185 /nfs/dbraw/zinc/13/81/85/403138185.db2.gz CGOUWEXHXRHKPF-UHFFFAOYSA-N 1 0 320.355 2.212 20 10 DECDRO CCCC[N@H+](CC(=O)NC(=O)NCCC)Cc1ccccc1O ZINC000282567620 403156620 /nfs/dbraw/zinc/15/66/20/403156620.db2.gz ZETHUGSRYMFLGV-UHFFFAOYSA-N 1 0 321.421 2.230 20 10 DECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000276578979 403188291 /nfs/dbraw/zinc/18/82/91/403188291.db2.gz LIXDMZBFZIZKHG-LLVKDONJSA-N 1 0 310.369 2.231 20 10 DECDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000277256745 403198575 /nfs/dbraw/zinc/19/85/75/403198575.db2.gz KWKGVVAZMZESGJ-OWNNVSBGSA-N 1 0 304.390 2.054 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1OC ZINC000271090722 403263082 /nfs/dbraw/zinc/26/30/82/403263082.db2.gz KVQHAXJBIVAFAO-OAHLLOKOSA-N 1 0 320.433 2.470 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(CNC(C)=O)CC2)c1 ZINC000271126374 403266763 /nfs/dbraw/zinc/26/67/63/403266763.db2.gz HKCPYXHBDPNGSH-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO Cc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(O)c1O ZINC000293744157 403553258 /nfs/dbraw/zinc/55/32/58/403553258.db2.gz RQLCIDPLXHOFPV-GFCCVEGCSA-N 1 0 318.417 2.353 20 10 DECDRO Cc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)ccc1N(C)C ZINC000294230191 403678498 /nfs/dbraw/zinc/67/84/98/403678498.db2.gz SSRRUMIYEBKEBD-MAUKXSAKSA-N 1 0 304.434 2.441 20 10 DECDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)C3)cc2)CC1 ZINC000295121087 403767025 /nfs/dbraw/zinc/76/70/25/403767025.db2.gz WUBUBODREPTJTR-INIZCTEOSA-N 1 0 304.434 2.116 20 10 DECDRO CNC(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294752000 403727873 /nfs/dbraw/zinc/72/78/73/403727873.db2.gz KXFGXIQCNNONTP-UHFFFAOYSA-N 1 0 303.431 2.220 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccsc1 ZINC000294766035 403732925 /nfs/dbraw/zinc/73/29/25/403732925.db2.gz FMNPZGHIYQKNLK-NSHDSACASA-N 1 0 324.377 2.331 20 10 DECDRO COCCOC1(C[NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000294823951 403735334 /nfs/dbraw/zinc/73/53/34/403735334.db2.gz PFCBBFRJCJXWBM-UHFFFAOYSA-N 1 0 309.406 2.002 20 10 DECDRO O=C(NCCCCC[NH+]1CCCC1)c1c(F)ccc(O)c1O ZINC000295651161 404003998 /nfs/dbraw/zinc/00/39/98/404003998.db2.gz RRUBAPULHGEMFG-UHFFFAOYSA-N 1 0 310.369 2.233 20 10 DECDRO Cc1cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)ccc1N(C)C ZINC000296534376 404294875 /nfs/dbraw/zinc/29/48/75/404294875.db2.gz BCVRGZYMAKCRSD-OAHLLOKOSA-N 1 0 305.422 2.334 20 10 DECDRO COCC[C@@H]1COCCN1Cc1cc(Cl)cc(OC)c1O ZINC000365849938 404732748 /nfs/dbraw/zinc/73/27/48/404732748.db2.gz SYWVORJEHZFKPE-CYBMUJFWSA-N 1 0 315.797 2.292 20 10 DECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000575048590 406788813 /nfs/dbraw/zinc/78/88/13/406788813.db2.gz YZAZIJJCSCVRBB-MRXNPFEDSA-N 1 0 317.433 2.352 20 10 DECDRO COC1CCN(c2ccc(C[N@H+](CCO)C3CC3)cc2)CC1 ZINC000295606074 225041604 /nfs/dbraw/zinc/04/16/04/225041604.db2.gz UYSOJGJTZVWIJI-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO O=C(c1cccc(O)c1O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000193081895 225152051 /nfs/dbraw/zinc/15/20/51/225152051.db2.gz MYSZWZQDPDJKHD-ZDUSSCGKSA-N 1 0 304.390 2.188 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000373639897 227116146 /nfs/dbraw/zinc/11/61/46/227116146.db2.gz OTEKNUNEPZCXOY-OAHLLOKOSA-N 1 0 310.781 2.428 20 10 DECDRO COC(=O)c1ccc(O)c([C@H](C)NCc2nn(C)cc2Cl)c1 ZINC000834883890 649857343 /nfs/dbraw/zinc/85/73/43/649857343.db2.gz UPAPHNYKKSCJRQ-VIFPVBQESA-N 1 0 323.780 2.417 20 10 DECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000279938428 275453555 /nfs/dbraw/zinc/45/35/55/275453555.db2.gz YPWRBRFHQXZHRA-HNNXBMFYSA-N 1 0 307.413 2.240 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(C(N)=O)C(C)C)c1O ZINC000297780252 275501946 /nfs/dbraw/zinc/50/19/46/275501946.db2.gz WCJZJCLHKPWTJE-HNNXBMFYSA-N 1 0 312.797 2.238 20 10 DECDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1O)C(=O)N1CCOCC1 ZINC000279966134 280196654 /nfs/dbraw/zinc/19/66/54/280196654.db2.gz CQHAQTPOUSPBRC-HZPDHXFCSA-N 1 0 320.433 2.379 20 10 DECDRO Cc1cccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000294225948 281218436 /nfs/dbraw/zinc/21/84/36/281218436.db2.gz ZBRCGWTURQBUSD-QGZVFWFLSA-N 1 0 305.418 2.358 20 10 DECDRO C[NH+](C)CCN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1 ZINC000181940038 333147016 /nfs/dbraw/zinc/14/70/16/333147016.db2.gz NRYZYJFZRZRHCY-CMDGGOBGSA-N 1 0 311.385 2.395 20 10 DECDRO C[NH2+]CCN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000565152183 341518395 /nfs/dbraw/zinc/51/83/95/341518395.db2.gz XYADYKRYYSMRBK-UHFFFAOYSA-N 1 0 317.433 2.196 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)CCSCCC[NH3+])cc1 ZINC001357484266 1152302854 /nfs/dbraw/zinc/30/28/54/1152302854.db2.gz CIKYXMXMYXUDPL-UHFFFAOYSA-N 1 0 309.479 2.183 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCc3ccnn3C)CC2)cc1 ZINC000376560217 534003899 /nfs/dbraw/zinc/00/38/99/534003899.db2.gz DBYUFJNDDMQKMU-UHFFFAOYSA-N 1 0 314.433 2.184 20 10 DECDRO CC(=O)NC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835029696 649868969 /nfs/dbraw/zinc/86/89/69/649868969.db2.gz YVEVJGJJMGMOSO-SNAWJCMRSA-N 1 0 301.434 2.366 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000835037838 649869796 /nfs/dbraw/zinc/86/97/96/649869796.db2.gz XRELANRMUGUPMY-HYXAFXHYSA-N 1 0 317.477 2.202 20 10 DECDRO COCCN1CCC[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036103 649869998 /nfs/dbraw/zinc/86/99/98/649869998.db2.gz HSSZLNOKHVLBMT-GJEJWFRCSA-N 1 0 317.477 2.466 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000271202643 522180396 /nfs/dbraw/zinc/18/03/96/522180396.db2.gz XZPPUQYMNHYPDD-MRXNPFEDSA-N 1 0 321.440 2.046 20 10 DECDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268953297 524509107 /nfs/dbraw/zinc/50/91/07/524509107.db2.gz SYZRAEFYLMWVGC-KBPBESRZSA-N 1 0 310.413 2.331 20 10 DECDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178269569 525298651 /nfs/dbraw/zinc/29/86/51/525298651.db2.gz TVSRHRFGYQRPKW-ZDUSSCGKSA-N 1 0 308.397 2.492 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(O)c1 ZINC000363870651 525750590 /nfs/dbraw/zinc/75/05/90/525750590.db2.gz WMTMKUYGHHLJCH-KGLIPLIRSA-N 1 0 300.406 2.364 20 10 DECDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(O)c1O ZINC000182596361 526177754 /nfs/dbraw/zinc/17/77/54/526177754.db2.gz XZDGOTHBUZPAPY-ZDUSSCGKSA-N 1 0 306.406 2.114 20 10 DECDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000161704782 527399566 /nfs/dbraw/zinc/39/95/66/527399566.db2.gz YONKZMVUINDVNF-UHFFFAOYSA-N 1 0 303.381 2.291 20 10 DECDRO Nc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000237888931 527475846 /nfs/dbraw/zinc/47/58/46/527475846.db2.gz LKCJWIHTLAEMKX-KRWDZBQOSA-N 1 0 301.434 2.288 20 10 DECDRO CCCOc1ccc(C[NH+]2CCC(O)(COC)CC2)c(O)c1 ZINC000271162139 528663424 /nfs/dbraw/zinc/66/34/24/528663424.db2.gz DSPYPSVCMJDPQZ-UHFFFAOYSA-N 1 0 309.406 2.154 20 10 DECDRO CCNC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835042097 649870670 /nfs/dbraw/zinc/87/06/70/649870670.db2.gz GUSMCKMUWNTGBJ-OGZRUICASA-N 1 0 316.449 2.159 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCOCC2(C)C)cc1 ZINC000835043309 649870683 /nfs/dbraw/zinc/87/06/83/649870683.db2.gz SFROHVKSRHUJGY-WAYWQWQTSA-N 1 0 317.477 2.466 20 10 DECDRO CCNC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835042096 649870789 /nfs/dbraw/zinc/87/07/89/649870789.db2.gz GUSMCKMUWNTGBJ-KJPDOMRESA-N 1 0 316.449 2.159 20 10 DECDRO CCN1CCCN(C/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835049166 649871726 /nfs/dbraw/zinc/87/17/26/649871726.db2.gz CBTFRHBMSRIDSY-FNORWQNLSA-N 1 0 301.434 2.320 20 10 DECDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000835052491 649872323 /nfs/dbraw/zinc/87/23/23/649872323.db2.gz DOFOWQJFWRHJIF-GEXIGZQTSA-N 1 0 322.474 2.321 20 10 DECDRO CCC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825323092 607507619 /nfs/dbraw/zinc/50/76/19/607507619.db2.gz ODXKWCNXDKDNBA-UHFFFAOYSA-N 1 0 324.388 2.380 20 10 DECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(OC)c2O)C1(C)C ZINC000186588304 625402158 /nfs/dbraw/zinc/40/21/58/625402158.db2.gz DYWHRJDJWIAINY-RHSMWYFYSA-N 1 0 309.406 2.057 20 10 DECDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892728365 625495990 /nfs/dbraw/zinc/49/59/90/625495990.db2.gz AYMUBZSJMOMOJO-UONOGXRCSA-N 1 0 306.406 2.125 20 10 DECDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000892788302 625608644 /nfs/dbraw/zinc/60/86/44/625608644.db2.gz BQTZMAYTZURWMA-INIZCTEOSA-N 1 0 323.396 2.132 20 10 DECDRO Oc1ccc(Br)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000306076735 623110229 /nfs/dbraw/zinc/11/02/29/623110229.db2.gz GNVZBSPXJRJEDF-AWEZNQCLSA-N 1 0 311.223 2.340 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)[NH3+] ZINC000892860492 625668574 /nfs/dbraw/zinc/66/85/74/625668574.db2.gz MLCUPSRMKJOENG-UHFFFAOYSA-N 1 0 306.454 2.412 20 10 DECDRO CSC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891249752 623794557 /nfs/dbraw/zinc/79/45/57/623794557.db2.gz WKYWKAXBRUDSRN-HNNXBMFYSA-N 1 0 321.490 2.367 20 10 DECDRO COC(C)(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249007 623795707 /nfs/dbraw/zinc/79/57/07/623795707.db2.gz OXSDETQGESQKIW-INIZCTEOSA-N 1 0 321.465 2.287 20 10 DECDRO CCO[C@H](CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251154 623797275 /nfs/dbraw/zinc/79/72/75/623797275.db2.gz AENUGBGCUTXDOJ-IAGOWNOFSA-N 1 0 321.465 2.287 20 10 DECDRO COC[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253038 623798536 /nfs/dbraw/zinc/79/85/36/623798536.db2.gz PLNCQWUDGJJXNC-PBHICJAKSA-N 1 0 321.465 2.144 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/C2CC2)[NH+](C)C)cc1 ZINC000891254534 623800686 /nfs/dbraw/zinc/80/06/86/623800686.db2.gz ZGCNEFYRNVUNRR-SNQZOLJRSA-N 1 0 301.434 2.438 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000892451859 625681622 /nfs/dbraw/zinc/68/16/22/625681622.db2.gz FBAUHHXSICSYJF-KOMQPUFPSA-N 1 0 318.465 2.412 20 10 DECDRO CC[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891409724 624153664 /nfs/dbraw/zinc/15/36/64/624153664.db2.gz IHANAISUYJBLCW-CZUORRHYSA-N 1 0 306.454 2.453 20 10 DECDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000891457349 624206603 /nfs/dbraw/zinc/20/66/03/624206603.db2.gz ZCYYRZYXBOCQSE-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO COc1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c(O)c1OC ZINC000891821337 624615748 /nfs/dbraw/zinc/61/57/48/624615748.db2.gz APYXNRLMMMNBRH-HNNXBMFYSA-N 1 0 320.433 2.470 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891984021 624717770 /nfs/dbraw/zinc/71/77/70/624717770.db2.gz ODRIWLRVNMEFMA-NSHDSACASA-N 1 0 323.824 2.329 20 10 DECDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(OC)c1O ZINC000892216380 624848621 /nfs/dbraw/zinc/84/86/21/624848621.db2.gz QVNWYSGBGGLCDH-CABCVRRESA-N 1 0 320.433 2.468 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)c(O)c1OC ZINC000893038314 625067429 /nfs/dbraw/zinc/06/74/29/625067429.db2.gz SESKTLHRWDJUAQ-LBPRGKRZSA-N 1 0 307.346 2.134 20 10 DECDRO CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000188067181 625104143 /nfs/dbraw/zinc/10/41/43/625104143.db2.gz NTKKIKJWDCTLHR-UHFFFAOYSA-N 1 0 314.385 2.278 20 10 DECDRO CSCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892655500 625230412 /nfs/dbraw/zinc/23/04/12/625230412.db2.gz RYZATJFZUIZFKY-HNNXBMFYSA-N 1 0 324.494 2.018 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000725841953 625861656 /nfs/dbraw/zinc/86/16/56/625861656.db2.gz SWXPHBMASOCPMH-UHFFFAOYSA-N 1 0 322.311 2.407 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000840934629 634783090 /nfs/dbraw/zinc/78/30/90/634783090.db2.gz SWSYBEMXWSOTML-YSVLISHTSA-N 1 0 301.434 2.160 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000734164440 633341537 /nfs/dbraw/zinc/34/15/37/633341537.db2.gz LXAVNOJTUUXYQU-NSHDSACASA-N 1 0 316.195 2.024 20 10 DECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000894044325 636098202 /nfs/dbraw/zinc/09/82/02/636098202.db2.gz AIJSDDNQZSNIIB-UKRRQHHQSA-N 1 0 310.463 2.185 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000073416973 633844116 /nfs/dbraw/zinc/84/41/16/633844116.db2.gz FINRFNXDUSNNOK-UHFFFAOYSA-N 1 0 319.449 2.412 20 10 DECDRO COc1ccc(CNc2cc(N(C)C)cc[nH+]2)c(O)c1OC ZINC000893520545 634104538 /nfs/dbraw/zinc/10/45/38/634104538.db2.gz IYOPRBCDQJLPAF-UHFFFAOYSA-N 1 0 303.362 2.483 20 10 DECDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000893609628 635036682 /nfs/dbraw/zinc/03/66/82/635036682.db2.gz UFZOGAWUJWQMCT-SFHVURJKSA-N 1 0 321.417 2.194 20 10 DECDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000893626722 635289182 /nfs/dbraw/zinc/28/91/82/635289182.db2.gz UXJRRRDYCDYBMT-IINYFYTJSA-N 1 0 323.824 2.328 20 10 DECDRO CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981541312 635522990 /nfs/dbraw/zinc/52/29/90/635522990.db2.gz JXCHSYKTCGLDPU-KGLIPLIRSA-N 1 0 317.393 2.500 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000840956965 635697184 /nfs/dbraw/zinc/69/71/84/635697184.db2.gz BPQCJZZSUGFERM-MRXNPFEDSA-N 1 0 303.450 2.443 20 10 DECDRO COC(=O)C[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCCOC1 ZINC000893662546 635740877 /nfs/dbraw/zinc/74/08/77/635740877.db2.gz XPEQSJJOTWCZPH-SFHVURJKSA-N 1 0 319.401 2.214 20 10 DECDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CS1(=O)=O ZINC000922244500 636029499 /nfs/dbraw/zinc/02/94/99/636029499.db2.gz NMOXTUWOJCPCJD-SWLSCSKDSA-N 1 0 309.431 2.067 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1 ZINC000922525061 636218228 /nfs/dbraw/zinc/21/82/28/636218228.db2.gz OEWQGYZBLDXDRC-JKSUJKDBSA-N 1 0 322.474 2.460 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1Cn1cccn1 ZINC000922556450 636238414 /nfs/dbraw/zinc/23/84/14/636238414.db2.gz UKXGOLAPQJDIBV-WMLDXEAASA-N 1 0 314.433 2.122 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922592300 636267982 /nfs/dbraw/zinc/26/79/82/636267982.db2.gz FAZVXWJXXSLXRE-KRWDZBQOSA-N 1 0 304.434 2.212 20 10 DECDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(O)c1O ZINC000251437145 636269077 /nfs/dbraw/zinc/26/90/77/636269077.db2.gz CKSIZCLUUGPIII-XQQFMLRXSA-N 1 0 306.406 2.194 20 10 DECDRO COc1cccc(O)c1C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922752120 636371440 /nfs/dbraw/zinc/37/14/40/636371440.db2.gz LZNJLUDTTFHROO-ZDUSSCGKSA-N 1 0 306.328 2.373 20 10 DECDRO CCO[C@H](CNCc1cc(F)c(N(C)C)cc1F)C[NH+](C)C ZINC000922755602 636377824 /nfs/dbraw/zinc/37/78/24/636377824.db2.gz FWRUXLBWLAUOHX-CYBMUJFWSA-N 1 0 315.408 2.087 20 10 DECDRO COc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)c(O)c1 ZINC000894185276 636398555 /nfs/dbraw/zinc/39/85/55/636398555.db2.gz LWTWFIALAZUXHZ-UHFFFAOYSA-N 1 0 312.167 2.176 20 10 DECDRO COc1ccc(N2CCCN(Cc3nncs3)CC2)cc1 ZINC000929316958 636413401 /nfs/dbraw/zinc/41/34/01/636413401.db2.gz SYQBKDSPTSSMSY-UHFFFAOYSA-N 1 0 304.419 2.259 20 10 DECDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(O)c1O ZINC000187014425 636670173 /nfs/dbraw/zinc/67/01/73/636670173.db2.gz CKSIZCLUUGPIII-FRRDWIJNSA-N 1 0 306.406 2.194 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000922950721 636879934 /nfs/dbraw/zinc/87/99/34/636879934.db2.gz ORTRSVZVMNVFSI-MRXNPFEDSA-N 1 0 320.433 2.134 20 10 DECDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000841857762 636968487 /nfs/dbraw/zinc/96/84/87/636968487.db2.gz RCTIAPUUAYTGER-WDEREUQCSA-N 1 0 314.480 2.194 20 10 DECDRO O=C(NCc1c(O)cccc1F)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000923128975 636984468 /nfs/dbraw/zinc/98/44/68/636984468.db2.gz OTFQUWPWUAFSQW-GJZGRUSLSA-N 1 0 321.396 2.347 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC000923170483 637011734 /nfs/dbraw/zinc/01/17/34/637011734.db2.gz JYIUKXRQILDFNG-LLVKDONJSA-N 1 0 309.385 2.203 20 10 DECDRO CC(=O)OC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000894433029 637036738 /nfs/dbraw/zinc/03/67/38/637036738.db2.gz ZIELOZHRLRIDDL-QMMMGPOBSA-N 1 0 302.168 2.196 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000923536210 637234869 /nfs/dbraw/zinc/23/48/69/637234869.db2.gz JBGZVKKHCRGKFT-KRWDZBQOSA-N 1 0 306.381 2.452 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 ZINC000895000302 637371821 /nfs/dbraw/zinc/37/18/21/637371821.db2.gz JHTSEAWMMGZNRA-IBGZPJMESA-N 1 0 310.397 2.330 20 10 DECDRO Cc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788269025 637541751 /nfs/dbraw/zinc/54/17/51/637541751.db2.gz KEBOJWKRICFRFA-BXKDBHETSA-N 1 0 300.196 2.418 20 10 DECDRO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCN(C)C1 ZINC000895100402 637558842 /nfs/dbraw/zinc/55/88/42/637558842.db2.gz CFTXVASCPLDDBN-CQSZACIVSA-N 1 0 308.422 2.326 20 10 DECDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000160106319 637588170 /nfs/dbraw/zinc/58/81/70/637588170.db2.gz PYJTUPQNFFNOAD-LBPRGKRZSA-N 1 0 307.390 2.483 20 10 DECDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146448 637788588 /nfs/dbraw/zinc/78/85/88/637788588.db2.gz HTPXUMMTPVEYGP-XHDPSFHLSA-N 1 0 312.360 2.068 20 10 DECDRO Cn1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146485 637789263 /nfs/dbraw/zinc/78/92/63/637789263.db2.gz JRPVAQCJRFCBJK-UHFFFAOYSA-N 1 0 321.371 2.430 20 10 DECDRO CC[C@@H](COC)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839143988 637805319 /nfs/dbraw/zinc/80/53/19/637805319.db2.gz DNVZSCADZXCRBW-ZDUSSCGKSA-N 1 0 314.376 2.316 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)c2ccnn2C)cc1 ZINC000839178930 637811332 /nfs/dbraw/zinc/81/13/32/637811332.db2.gz JDNDQJQUKTXXQS-MRXNPFEDSA-N 1 0 302.422 2.090 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CN2CCOCC2)c(Cl)c1 ZINC000840901049 650374405 /nfs/dbraw/zinc/37/44/05/650374405.db2.gz XHPIELAUVYWKCJ-ZDUSSCGKSA-N 1 0 312.841 2.412 20 10 DECDRO C[C@H](CCNCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000895296818 637900701 /nfs/dbraw/zinc/90/07/01/637900701.db2.gz FGVAVVDEICUCOY-CQSZACIVSA-N 1 0 309.429 2.092 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=NO2)cc1Cn1cccn1 ZINC000895302468 637909173 /nfs/dbraw/zinc/90/91/73/637909173.db2.gz RLSCCLGWZWSQNR-INIZCTEOSA-N 1 0 314.389 2.194 20 10 DECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1O ZINC000895337530 637941512 /nfs/dbraw/zinc/94/15/12/637941512.db2.gz XHYYMDMCXMZTIC-GOSISDBHSA-N 1 0 323.433 2.367 20 10 DECDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)CC1 ZINC000841297129 638018069 /nfs/dbraw/zinc/01/80/69/638018069.db2.gz AMEOGPYEVWSLJP-CQSZACIVSA-N 1 0 302.422 2.464 20 10 DECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1O ZINC000895458891 638034529 /nfs/dbraw/zinc/03/45/29/638034529.db2.gz UFVKOKZBFVBROG-HNNXBMFYSA-N 1 0 321.417 2.385 20 10 DECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840939424 650390402 /nfs/dbraw/zinc/39/04/02/650390402.db2.gz MQPCPRBJLLCBRC-QGZVFWFLSA-N 1 0 308.422 2.119 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000840941363 650391611 /nfs/dbraw/zinc/39/16/11/650391611.db2.gz VKLMOFKXVHFSSF-UHFFFAOYSA-N 1 0 303.811 2.021 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2cccc(C)c2O)n(C)c1C ZINC000895646027 638131625 /nfs/dbraw/zinc/13/16/25/638131625.db2.gz GDODXMQGGHGEJA-UHFFFAOYSA-N 1 0 302.374 2.424 20 10 DECDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1csnn1 ZINC000840970717 650396901 /nfs/dbraw/zinc/39/69/01/650396901.db2.gz VVKBRAUTZKRZGG-ZDUSSCGKSA-N 1 0 317.462 2.141 20 10 DECDRO COc1cc(C)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)c1O ZINC000895918876 638266399 /nfs/dbraw/zinc/26/63/99/638266399.db2.gz CDIHYTIASHUNHH-RWMBFGLXSA-N 1 0 306.406 2.149 20 10 DECDRO COc1c(O)c(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895927078 638270105 /nfs/dbraw/zinc/27/01/05/638270105.db2.gz LVJSQGABOUWFLF-CMPLNLGQSA-N 1 0 310.350 2.308 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000895927679 638271037 /nfs/dbraw/zinc/27/10/37/638271037.db2.gz VOPAAVNRFKAZIN-UHFFFAOYSA-N 1 0 301.434 2.306 20 10 DECDRO COc1cc(Br)cc(CNC[C@@H]([NH3+])C(C)C)c1O ZINC000841031236 650409673 /nfs/dbraw/zinc/40/96/73/650409673.db2.gz ZISHVVGDLUQMRK-LLVKDONJSA-N 1 0 317.227 2.236 20 10 DECDRO CC(C)OC1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895956890 638284776 /nfs/dbraw/zinc/28/47/76/638284776.db2.gz YEJWEVJBBSJXEJ-UHFFFAOYSA-N 1 0 304.434 2.257 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)ccc21 ZINC000895979780 638294993 /nfs/dbraw/zinc/29/49/93/638294993.db2.gz BSXPCKRLILGNEK-IBGZPJMESA-N 1 0 313.445 2.171 20 10 DECDRO Cc1cccc2ncc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)n21 ZINC000841045155 650413647 /nfs/dbraw/zinc/41/36/47/650413647.db2.gz IYHPQFUEQRJRFJ-GOSISDBHSA-N 1 0 323.444 2.498 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC000896241109 638431532 /nfs/dbraw/zinc/43/15/32/638431532.db2.gz VJQJQQZUVDLZJA-ZDUSSCGKSA-N 1 0 303.362 2.472 20 10 DECDRO COC[C@]1(CNC/C=C\c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841067913 650420928 /nfs/dbraw/zinc/42/09/28/650420928.db2.gz QMCBIMPSDNJPEN-WLPBJKJWSA-N 1 0 303.450 2.124 20 10 DECDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2Br)c(O)c1 ZINC000896282806 638449223 /nfs/dbraw/zinc/44/92/23/638449223.db2.gz WBHAMLCKEHFGGP-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1cccc(F)c1 ZINC000749120819 638616937 /nfs/dbraw/zinc/61/69/37/638616937.db2.gz XFSMCNLTFVJADD-BTDLBPIBSA-N 1 0 319.332 2.472 20 10 DECDRO CCO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)CN(C)C ZINC000896876221 638748462 /nfs/dbraw/zinc/74/84/62/638748462.db2.gz CFQLWAYPCULQTN-CYBMUJFWSA-N 1 0 300.830 2.410 20 10 DECDRO CCOc1ccc(CN2CCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000728300116 639076693 /nfs/dbraw/zinc/07/66/93/639076693.db2.gz XQTROWXCRHXIPK-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(C)cc2O)s1 ZINC000896930057 639085596 /nfs/dbraw/zinc/08/55/96/639085596.db2.gz KJSQQNBBLCQMFN-UHFFFAOYSA-N 1 0 306.387 2.276 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000753597657 639319083 /nfs/dbraw/zinc/31/90/83/639319083.db2.gz ZDLJSFCLUDQILD-ZDUSSCGKSA-N 1 0 307.390 2.376 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Cl)ccc1O ZINC000756639628 639680788 /nfs/dbraw/zinc/68/07/88/639680788.db2.gz BDHSPLUJWDUVHR-SECBINFHSA-N 1 0 305.765 2.390 20 10 DECDRO CC1(C)CC(NC(=O)NCCc2ccc(N)cc2)CC(C)(C)[NH2+]1 ZINC000841609733 650523597 /nfs/dbraw/zinc/52/35/97/650523597.db2.gz CDTUEDHOUFOSCH-UHFFFAOYSA-N 1 0 318.465 2.420 20 10 DECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000839636240 639777474 /nfs/dbraw/zinc/77/74/74/639777474.db2.gz PIYQDJWILAHPNM-LLVKDONJSA-N 1 0 324.808 2.158 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000841651873 650530187 /nfs/dbraw/zinc/53/01/87/650530187.db2.gz BXEDDHGBGXPWSI-GOSISDBHSA-N 1 0 316.449 2.038 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000841654641 650530291 /nfs/dbraw/zinc/53/02/91/650530291.db2.gz ORTKWLDDEAXCNO-USXIJHARSA-N 1 0 316.449 2.021 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000841716606 650549499 /nfs/dbraw/zinc/54/94/99/650549499.db2.gz BGCXTZLUHXJJNM-INIZCTEOSA-N 1 0 318.465 2.474 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000841716919 650549522 /nfs/dbraw/zinc/54/95/22/650549522.db2.gz FXXSAVMFHFNKQE-CQSZACIVSA-N 1 0 306.454 2.459 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000841719116 650551266 /nfs/dbraw/zinc/55/12/66/650551266.db2.gz DWUVCTVNWWEJDA-MRXNPFEDSA-N 1 0 318.465 2.332 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000841719699 650551302 /nfs/dbraw/zinc/55/13/02/650551302.db2.gz OVIDSVFHESXBSS-CABCVRRESA-N 1 0 318.465 2.425 20 10 DECDRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709990 650546921 /nfs/dbraw/zinc/54/69/21/650546921.db2.gz QZEVMCRCZXDQFC-CQSZACIVSA-N 1 0 304.438 2.213 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709426 650546971 /nfs/dbraw/zinc/54/69/71/650546971.db2.gz FSPSFXBUFCZNBI-HZPDHXFCSA-N 1 0 316.449 2.356 20 10 DECDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841710177 650547044 /nfs/dbraw/zinc/54/70/44/650547044.db2.gz UHJKVXXDCLIZRZ-MRXNPFEDSA-N 1 0 316.449 2.180 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000841761325 650558608 /nfs/dbraw/zinc/55/86/08/650558608.db2.gz OVJUFSNXVOYJDE-ZDUSSCGKSA-N 1 0 322.428 2.162 20 10 DECDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761209 650558632 /nfs/dbraw/zinc/55/86/32/650558632.db2.gz NYQLTXOFELOXHC-HNNXBMFYSA-N 1 0 324.444 2.407 20 10 DECDRO CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000987585249 640229258 /nfs/dbraw/zinc/22/92/58/640229258.db2.gz NURVHUOFZZTRMC-SMDDNHRTSA-N 1 0 317.393 2.452 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C3CC3)C2)cc1C ZINC000987713643 640266614 /nfs/dbraw/zinc/26/66/14/640266614.db2.gz KDAUORMDJUAHSH-BBRMVZONSA-N 1 0 302.418 2.493 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000761201629 640284415 /nfs/dbraw/zinc/28/44/15/640284415.db2.gz CHNQKZQFEKZWJZ-GFCCVEGCSA-N 1 0 317.838 2.354 20 10 DECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841795730 650566139 /nfs/dbraw/zinc/56/61/39/650566139.db2.gz WJDBIIMLYULVDC-HUUCEWRRSA-N 1 0 318.465 2.373 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1F ZINC000841798430 650566965 /nfs/dbraw/zinc/56/69/65/650566965.db2.gz IWSGIPNDNAXIRO-UHFFFAOYSA-N 1 0 322.428 2.223 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841827055 650572998 /nfs/dbraw/zinc/57/29/98/650572998.db2.gz KCGJQQBPESHSRC-GOEBONIOSA-N 1 0 318.465 2.248 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000841829194 650573835 /nfs/dbraw/zinc/57/38/35/650573835.db2.gz YIISPZCPHDHCAR-UHFFFAOYSA-N 1 0 318.465 2.250 20 10 DECDRO CN1CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000762555397 640438548 /nfs/dbraw/zinc/43/85/48/640438548.db2.gz 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640788267 /nfs/dbraw/zinc/78/82/67/640788267.db2.gz BIGWBPMAHHIQNF-INIZCTEOSA-N 1 0 301.434 2.245 20 10 DECDRO CCC([NH3+])(CC)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031615 640854480 /nfs/dbraw/zinc/85/44/80/640854480.db2.gz YGTKNMHJRMBFIS-UHFFFAOYSA-N 1 0 309.429 2.269 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000841970320 650616324 /nfs/dbraw/zinc/61/63/24/650616324.db2.gz UQSZCYABCXYQFL-LBPRGKRZSA-N 1 0 321.421 2.151 20 10 DECDRO COc1ccc(C[NH2+][C@H](CCO)C2CCCC2)c(O)c1OC ZINC000897882219 640961984 /nfs/dbraw/zinc/96/19/84/640961984.db2.gz GYESWFBGRTWQRA-CQSZACIVSA-N 1 0 309.406 2.440 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CCC[NH3+] ZINC000842000694 650624051 /nfs/dbraw/zinc/62/40/51/650624051.db2.gz ZMKJJWWRSOVWHO-CQSZACIVSA-N 1 0 306.454 2.412 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000898114245 641024985 /nfs/dbraw/zinc/02/49/85/641024985.db2.gz BDCHNKIWVDIJNG-MLGOLLRUSA-N 1 0 307.390 2.390 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC[C@@H](O)C3CC3)CC2)cc1 ZINC000898203755 641046079 /nfs/dbraw/zinc/04/60/79/641046079.db2.gz IICPWHPVWPTSQW-GOSISDBHSA-N 1 0 304.434 2.415 20 10 DECDRO COc1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1Cn1cccn1 ZINC000898195045 641056579 /nfs/dbraw/zinc/05/65/79/641056579.db2.gz SRTRSOKMQLQGHQ-QGZVFWFLSA-N 1 0 315.417 2.191 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c(O)c1 ZINC000768193745 641058384 /nfs/dbraw/zinc/05/83/84/641058384.db2.gz LOQFJWKPINOGID-UHFFFAOYSA-N 1 0 306.406 2.091 20 10 DECDRO Cc1cc(O)c(C[N@H+](C)CC(=O)NCc2ccco2)cc1C ZINC000768194104 641058731 /nfs/dbraw/zinc/05/87/31/641058731.db2.gz OKKNFIXFBOTZRL-UHFFFAOYSA-N 1 0 302.374 2.350 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000768215905 641060000 /nfs/dbraw/zinc/06/00/00/641060000.db2.gz OZRUTWDCXJPDNF-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO COc1cccc(O)c1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000768215056 641060350 /nfs/dbraw/zinc/06/03/50/641060350.db2.gz VXUWISKWRANFOI-UHFFFAOYSA-N 1 0 314.385 2.278 20 10 DECDRO Cc1cc(O)c(C[NH2+]Cc2cnc3n2CCOC3)cc1Cl ZINC000898266345 641076037 /nfs/dbraw/zinc/07/60/37/641076037.db2.gz MVHPGFASELSQFF-UHFFFAOYSA-N 1 0 307.781 2.371 20 10 DECDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1(C)C ZINC000768444548 641081968 /nfs/dbraw/zinc/08/19/68/641081968.db2.gz AIZKMIJTQDGLNL-HYVNUMGLSA-N 1 0 321.417 2.453 20 10 DECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(C)cc1O)CC2 ZINC000768444477 641082532 /nfs/dbraw/zinc/08/25/32/641082532.db2.gz BSEUYWNGHGQRJL-AWEZNQCLSA-N 1 0 319.401 2.484 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(O)cc1C ZINC000768446293 641082617 /nfs/dbraw/zinc/08/26/17/641082617.db2.gz MFVQVBGZHTXNGD-CYBMUJFWSA-N 1 0 307.390 2.294 20 10 DECDRO CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768449622 641083707 /nfs/dbraw/zinc/08/37/07/641083707.db2.gz WXAXSRZFGMSWTQ-WBMJQRKESA-N 1 0 307.390 2.067 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCOC3)CC2)cc1F ZINC000768530187 641093703 /nfs/dbraw/zinc/09/37/03/641093703.db2.gz IEQBMGMDTWYEJH-CQSZACIVSA-N 1 0 308.397 2.383 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000769398946 641233438 /nfs/dbraw/zinc/23/34/38/641233438.db2.gz OPLNCCXWYYNNDM-UHFFFAOYSA-N 1 0 307.390 2.376 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000769413592 641236447 /nfs/dbraw/zinc/23/64/47/641236447.db2.gz DIKVMLJDQXJQNF-AWEZNQCLSA-N 1 0 307.390 2.219 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000769458742 641243396 /nfs/dbraw/zinc/24/33/96/641243396.db2.gz ZQECRCLEKREIRD-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769467414 641244853 /nfs/dbraw/zinc/24/48/53/641244853.db2.gz TWGGROCPEPMSHP-SJORKVTESA-N 1 0 317.477 2.438 20 10 DECDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000769485260 641248713 /nfs/dbraw/zinc/24/87/13/641248713.db2.gz ZVKKAMSQFTYEHB-MSOLQXFVSA-N 1 0 303.450 2.048 20 10 DECDRO COc1cccc(O)c1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000770380418 641363007 /nfs/dbraw/zinc/36/30/07/641363007.db2.gz HNFSXCUMCRPFFS-SUYBPPKGSA-N 1 0 307.390 2.169 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898388413 641644423 /nfs/dbraw/zinc/64/44/23/641644423.db2.gz SXANNHSMVCLUAY-ZWKOTPCHSA-N 1 0 302.418 2.038 20 10 DECDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898451341 641663327 /nfs/dbraw/zinc/66/33/27/641663327.db2.gz XYWAKDSUXAHMAR-JLSDUUJJSA-N 1 0 305.466 2.370 20 10 DECDRO CCn1cncc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898446961 641665514 /nfs/dbraw/zinc/66/55/14/641665514.db2.gz CPMSEAGSLFVQOW-GOSISDBHSA-N 1 0 315.465 2.362 20 10 DECDRO Cc1n[nH]c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1C ZINC000898448031 641666563 /nfs/dbraw/zinc/66/65/63/641666563.db2.gz OKWXBEHJHKTBGN-SFHVURJKSA-N 1 0 315.465 2.485 20 10 DECDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773370056 641765111 /nfs/dbraw/zinc/76/51/11/641765111.db2.gz YKLGIVHVPDVXMN-UKRRQHHQSA-N 1 0 304.438 2.207 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000773728514 641816518 /nfs/dbraw/zinc/81/65/18/641816518.db2.gz CVRRLVAUVMEYGQ-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO C[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899101669 641935324 /nfs/dbraw/zinc/93/53/24/641935324.db2.gz KJKMBIQSJHPEMX-WMLDXEAASA-N 1 0 318.465 2.407 20 10 DECDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n(C)n1 ZINC000775835783 642104061 /nfs/dbraw/zinc/10/40/61/642104061.db2.gz JHQJRXAIXJTWSN-ZDUSSCGKSA-N 1 0 315.421 2.084 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000776042875 642126545 /nfs/dbraw/zinc/12/65/45/642126545.db2.gz BSZGICHHWBIOKN-UHFFFAOYSA-N 1 0 316.449 2.122 20 10 DECDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[NH+](C)C)cc1 ZINC000776429796 642172720 /nfs/dbraw/zinc/17/27/20/642172720.db2.gz HBAAGNPDSDPKEW-UHFFFAOYSA-N 1 0 317.355 2.205 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000779196093 642471017 /nfs/dbraw/zinc/47/10/17/642471017.db2.gz KKNOGIFLMYDXEL-LBPRGKRZSA-N 1 0 317.364 2.457 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c(O)c1 ZINC000779208607 642473100 /nfs/dbraw/zinc/47/31/00/642473100.db2.gz LOPGOALSSGWRNP-UHFFFAOYSA-N 1 0 301.333 2.383 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C ZINC000779517933 642507361 /nfs/dbraw/zinc/50/73/61/642507361.db2.gz AILPMKOERRCBDJ-HAANDJBQSA-N 1 0 318.417 2.442 20 10 DECDRO Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c1O ZINC000780957016 642694910 /nfs/dbraw/zinc/69/49/10/642694910.db2.gz UZYHSZFLXSSDBX-CQSZACIVSA-N 1 0 318.417 2.210 20 10 DECDRO C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1O)OC[C@H]3O)CCOCC2 ZINC000842637742 650791888 /nfs/dbraw/zinc/79/18/88/650791888.db2.gz DQTPEABOKGXTLB-MLGOLLRUSA-N 1 0 319.401 2.209 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000782388119 642875232 /nfs/dbraw/zinc/87/52/32/642875232.db2.gz WZZSWEYIICZUPP-SFHVURJKSA-N 1 0 306.450 2.410 20 10 DECDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]3C)CC2)cc1 ZINC000783227082 642983723 /nfs/dbraw/zinc/98/37/23/642983723.db2.gz SRCSANBZZUMGEF-MAUKXSAKSA-N 1 0 303.450 2.205 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000783534692 643015454 /nfs/dbraw/zinc/01/54/54/643015454.db2.gz GNLKAEFGPPJIKT-MELADBBJSA-N 1 0 310.413 2.472 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000783694707 643038646 /nfs/dbraw/zinc/03/86/46/643038646.db2.gz CGOJAOAUWJLRKP-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000842753022 650817285 /nfs/dbraw/zinc/81/72/85/650817285.db2.gz BGLCNIDGQFIDSJ-DOTOQJQBSA-N 1 0 306.450 2.410 20 10 DECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC000903396003 643332231 /nfs/dbraw/zinc/33/22/31/643332231.db2.gz KYENFOKYNZJBFG-CHWSQXEVSA-N 1 0 314.389 2.126 20 10 DECDRO COc1ccc(N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c(OC)c1 ZINC000903752952 643446659 /nfs/dbraw/zinc/44/66/59/643446659.db2.gz QMWZUYQYQRJPQC-HNNXBMFYSA-N 1 0 320.433 2.299 20 10 DECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)s1 ZINC000787424102 643493648 /nfs/dbraw/zinc/49/36/48/643493648.db2.gz HEFYVYZIFDUAKI-UHFFFAOYSA-N 1 0 315.391 2.286 20 10 DECDRO COc1ccc(N(C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1F ZINC000903902256 643502134 /nfs/dbraw/zinc/50/21/34/643502134.db2.gz FHZIEMWKFLDFRY-CYBMUJFWSA-N 1 0 320.412 2.130 20 10 DECDRO COc1ccc(N(C)CCN(C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931359 643513162 /nfs/dbraw/zinc/51/31/62/643513162.db2.gz BSLOUDJRIVCOGP-LBPRGKRZSA-N 1 0 301.381 2.046 20 10 DECDRO CCOc1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c(O)c1 ZINC000903973206 643531072 /nfs/dbraw/zinc/53/10/72/643531072.db2.gz BGERSWRQKHGXKL-OAHLLOKOSA-N 1 0 320.433 2.039 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000842918196 650852264 /nfs/dbraw/zinc/85/22/64/650852264.db2.gz DKOAIQFBKYBDFM-PXAZEXFGSA-N 1 0 309.406 2.229 20 10 DECDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788784126 643645380 /nfs/dbraw/zinc/64/53/80/643645380.db2.gz OYQDGRZISPUHIW-CABCVRRESA-N 1 0 311.422 2.074 20 10 DECDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789557536 643749239 /nfs/dbraw/zinc/74/92/39/643749239.db2.gz JYVSALASKUTSRZ-KRWDZBQOSA-N 1 0 308.397 2.009 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843046481 650876262 /nfs/dbraw/zinc/87/62/62/650876262.db2.gz WVXFCBGKABDRNM-YOEHRIQHSA-N 1 0 321.440 2.364 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790932339 643910605 /nfs/dbraw/zinc/91/06/05/643910605.db2.gz NTNOEKDGGWOYCP-GDZNZVCISA-N 1 0 307.390 2.169 20 10 DECDRO C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000843050853 650877924 /nfs/dbraw/zinc/87/79/24/650877924.db2.gz AIDWSQGBJYEVEG-QAPCUYQASA-N 1 0 303.450 2.082 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)cc1OC ZINC000905683941 644005801 /nfs/dbraw/zinc/00/58/01/644005801.db2.gz XLLJGCNAHDUJGJ-LLVKDONJSA-N 1 0 319.361 2.090 20 10 DECDRO C[NH+]1CCN(c2ccc(CNCC(F)(F)C(F)F)cc2)CC1 ZINC000792193500 644087662 /nfs/dbraw/zinc/08/76/62/644087662.db2.gz XMZUFPZRMVFOIE-UHFFFAOYSA-N 1 0 319.346 2.428 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000793029272 644181912 /nfs/dbraw/zinc/18/19/12/644181912.db2.gz ZVFXCQZDEWCDEF-UHFFFAOYSA-N 1 0 316.449 2.122 20 10 DECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(Br)ccc1O ZINC000843121335 650900406 /nfs/dbraw/zinc/90/04/06/650900406.db2.gz DTYFAPVCUWJOHH-RYUDHWBXSA-N 1 0 317.202 2.287 20 10 DECDRO CSC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000793794793 644304607 /nfs/dbraw/zinc/30/46/07/644304607.db2.gz DEJIDKMVWDLMGX-XHDPSFHLSA-N 1 0 309.431 2.393 20 10 DECDRO COc1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c(O)c1 ZINC000794378512 644405227 /nfs/dbraw/zinc/40/52/27/644405227.db2.gz WVRWDDIIKZBHSH-UPJWGTAASA-N 1 0 306.406 2.278 20 10 DECDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000794693705 644461640 /nfs/dbraw/zinc/46/16/40/644461640.db2.gz KIHOYQAFPZXMMG-CRAIPNDOSA-N 1 0 321.417 2.479 20 10 DECDRO CNC(=O)C[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccccc1 ZINC000795599741 644604267 /nfs/dbraw/zinc/60/42/67/644604267.db2.gz BICULPODKSDRSB-OAHLLOKOSA-N 1 0 314.385 2.368 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSC(F)(F)F)cc1 ZINC000843299794 650944681 /nfs/dbraw/zinc/94/46/81/650944681.db2.gz WORLBEMQKBEYOT-NSHDSACASA-N 1 0 321.368 2.122 20 10 DECDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC1CCCC1 ZINC000798503729 645027984 /nfs/dbraw/zinc/02/79/84/645027984.db2.gz MQHDAVYNUNDIDT-CYBMUJFWSA-N 1 0 307.390 2.399 20 10 DECDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000843428197 650973085 /nfs/dbraw/zinc/97/30/85/650973085.db2.gz RXZPHYCEPUBFDT-ZIAGYGMSSA-N 1 0 318.339 2.275 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799350715 645163140 /nfs/dbraw/zinc/16/31/40/645163140.db2.gz XJJONHAVAJEXKF-OAHLLOKOSA-N 1 0 301.386 2.484 20 10 DECDRO CC[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[NH+](C)C ZINC000839918953 645298872 /nfs/dbraw/zinc/29/88/72/645298872.db2.gz DUPMJUZIWPLBGI-WMLDXEAASA-N 1 0 305.466 2.448 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000911667706 645769751 /nfs/dbraw/zinc/76/97/51/645769751.db2.gz QTDFAYVEJHDIQS-RBQNZQIVSA-N 1 0 313.445 2.161 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000911761192 645826719 /nfs/dbraw/zinc/82/67/19/645826719.db2.gz MFOZTWWXTIJFQJ-MRXNPFEDSA-N 1 0 304.438 2.036 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000912402255 646056418 /nfs/dbraw/zinc/05/64/18/646056418.db2.gz ZXAJUBFLNOLONK-CQSZACIVSA-N 1 0 322.428 2.175 20 10 DECDRO O=C1NCCN1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000808727516 646133756 /nfs/dbraw/zinc/13/37/56/646133756.db2.gz IMWWGYLOTVWPCV-UHFFFAOYSA-N 1 0 303.406 2.162 20 10 DECDRO Cn1cncc1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000809575925 646239400 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CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(N(C)C)c(C)c3)[C@H]2C1 ZINC000815139514 646977509 /nfs/dbraw/zinc/97/75/09/646977509.db2.gz INKHZSKWHGOCQY-RBUKOAKNSA-N 1 0 317.477 2.356 20 10 DECDRO CN(C)C(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816486119 647140007 /nfs/dbraw/zinc/14/00/07/647140007.db2.gz PGVBJLUXHBYCII-UHFFFAOYSA-N 1 0 313.401 2.345 20 10 DECDRO Oc1c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)ccc2ccccc21 ZINC000816548476 647150729 /nfs/dbraw/zinc/15/07/29/647150729.db2.gz JGEQCWVDZOVVJL-DLBZAZTESA-N 1 0 312.413 2.498 20 10 DECDRO Oc1c(C[NH2+]C[C@@H](O)C2CCOCC2)ccc2ccccc21 ZINC000816551896 647150758 /nfs/dbraw/zinc/15/07/58/647150758.db2.gz SRFUCISNZQILHK-QGZVFWFLSA-N 1 0 301.386 2.423 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1 ZINC000816653485 647163777 /nfs/dbraw/zinc/16/37/77/647163777.db2.gz UUGIPJHQZHXEJK-HNNXBMFYSA-N 1 0 300.358 2.107 20 10 DECDRO CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816666646 647165660 /nfs/dbraw/zinc/16/56/60/647165660.db2.gz SIUZAKHCJFUIKI-ZWKOTPCHSA-N 1 0 321.417 2.201 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000817410828 647288358 /nfs/dbraw/zinc/28/83/58/647288358.db2.gz HUFULHJOAIEIBD-JHJVBQTASA-N 1 0 306.406 2.343 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)CC2)cc1OC ZINC000817419281 647291287 /nfs/dbraw/zinc/29/12/87/647291287.db2.gz SPPMNVSNOHGDGF-ZDUSSCGKSA-N 1 0 309.406 2.394 20 10 DECDRO CC(C)[N@H+](C)CCNC(=O)NCCCSc1nccs1 ZINC000153080222 647348735 /nfs/dbraw/zinc/34/87/35/647348735.db2.gz SLOUXSQLHUKXCN-UHFFFAOYSA-N 1 0 316.496 2.265 20 10 DECDRO C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817893082 647373961 /nfs/dbraw/zinc/37/39/61/647373961.db2.gz DNICTRBYGNIUFI-CXAGYDPISA-N 1 0 321.440 2.017 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C)CC3)C2)cc1 ZINC000818222267 647435737 /nfs/dbraw/zinc/43/57/37/647435737.db2.gz WAFXOMNXTIEKPI-HNNXBMFYSA-N 1 0 303.450 2.205 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCN2CCOC2=O)cc1 ZINC000731104092 647447008 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CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000822525395 648225832 /nfs/dbraw/zinc/22/58/32/648225832.db2.gz GHGVYJFTXPPVTF-QGZVFWFLSA-N 1 0 310.397 2.455 20 10 DECDRO CCOC(=O)CN(CCOC1CCC1)Cc1ccccc1O ZINC000823576009 648445556 /nfs/dbraw/zinc/44/55/56/648445556.db2.gz GRJXMQULBXWAIH-UHFFFAOYSA-N 1 0 307.390 2.326 20 10 DECDRO CC[N@H+](CC(=O)NC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824560199 648610352 /nfs/dbraw/zinc/61/03/52/648610352.db2.gz CHEGDPHCTXCQJU-UHFFFAOYSA-N 1 0 308.422 2.266 20 10 DECDRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000824559177 648610791 /nfs/dbraw/zinc/61/07/91/648610791.db2.gz JGFODAAPLWTJQM-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO Oc1ccc(F)cc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805888 648655712 /nfs/dbraw/zinc/65/57/12/648655712.db2.gz RASSDTFYWCDZBK-UHFFFAOYSA-N 1 0 305.328 2.388 20 10 DECDRO COCCCOCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000181521913 648683867 /nfs/dbraw/zinc/68/38/67/648683867.db2.gz ZMKOTAVDSPADEA-UHFFFAOYSA-N 1 0 322.449 2.008 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124593 648707049 /nfs/dbraw/zinc/70/70/49/648707049.db2.gz SZDWWJDMVNFVLW-NOZJJQNGSA-N 1 0 305.296 2.146 20 10 DECDRO CSC[C@H](CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000825291786 648737001 /nfs/dbraw/zinc/73/70/01/648737001.db2.gz PPLXCZQPAGHJCE-NSHDSACASA-N 1 0 320.252 2.358 20 10 DECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825468084 648767295 /nfs/dbraw/zinc/76/72/95/648767295.db2.gz FDFDOGYFONZUOZ-NXEZZACHSA-N 1 0 300.196 2.357 20 10 DECDRO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825530508 648776710 /nfs/dbraw/zinc/77/67/10/648776710.db2.gz NPZFOPXGHKRYNR-OAHLLOKOSA-N 1 0 313.781 2.166 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000825935447 648827909 /nfs/dbraw/zinc/82/79/09/648827909.db2.gz UNZGIWNSYGKDSB-LLVKDONJSA-N 1 0 317.838 2.268 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2CCO)cc1Cl ZINC000826036793 648841326 /nfs/dbraw/zinc/84/13/26/648841326.db2.gz OWLQMQUTBISGEI-AWEZNQCLSA-N 1 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000832266287 649690623 /nfs/dbraw/zinc/69/06/23/649690623.db2.gz DOINGVHXLMFTIN-QSJFSLAZSA-N 1 0 301.434 2.305 20 10 DECDRO CCc1cccnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266140 649690687 /nfs/dbraw/zinc/69/06/87/649690687.db2.gz CXYMWBQSMIMJOK-INIZCTEOSA-N 1 0 312.417 2.140 20 10 DECDRO CN1CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000844307895 651108528 /nfs/dbraw/zinc/10/85/28/651108528.db2.gz VRRNNSUYQFKBJK-SJORKVTESA-N 1 0 304.434 2.467 20 10 DECDRO COc1ccc(N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000844352849 651116321 /nfs/dbraw/zinc/11/63/21/651116321.db2.gz AHEHJMKUZIVIBM-UHFFFAOYSA-N 1 0 319.449 2.120 20 10 DECDRO C[NH+]1CCC(NC(=S)NCc2cc(Cl)ccc2O)CC1 ZINC000844583910 651145399 /nfs/dbraw/zinc/14/53/99/651145399.db2.gz JFAUVRUSGDFUHP-UHFFFAOYSA-N 1 0 313.854 2.104 20 10 DECDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000844887405 651179867 /nfs/dbraw/zinc/17/98/67/651179867.db2.gz VMRJDAJXPLGBNZ-KBPBESRZSA-N 1 0 323.824 2.472 20 10 DECDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846015046 651301696 /nfs/dbraw/zinc/30/16/96/651301696.db2.gz BBTDTTWSHHFNHE-QAPCUYQASA-N 1 0 306.450 2.410 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)ccc21 ZINC000846672724 651344696 /nfs/dbraw/zinc/34/46/96/651344696.db2.gz JNVLBLNSAWCSCX-SJORKVTESA-N 1 0 313.445 2.216 20 10 DECDRO CCC(CC)(C[NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697930 651346746 /nfs/dbraw/zinc/34/67/46/651346746.db2.gz YYGONGCDYXQONZ-UHFFFAOYSA-N 1 0 321.465 2.355 20 10 DECDRO CC(C)[N@H+](CC[C@H]1CCNC1=O)Cc1ccc(N(C)C)cc1 ZINC000846775780 651350989 /nfs/dbraw/zinc/35/09/89/651350989.db2.gz CBGKBINUFAEELH-MRXNPFEDSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000847405176 651394142 /nfs/dbraw/zinc/39/41/42/651394142.db2.gz ASJKAYIZVPLBER-NSHDSACASA-N 1 0 304.369 2.110 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848530994 651467815 /nfs/dbraw/zinc/46/78/15/651467815.db2.gz MAAVARJGDIDFFF-IBGZPJMESA-N 1 0 317.477 2.404 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c(Cl)c1 ZINC000848565973 651472266 /nfs/dbraw/zinc/47/22/66/651472266.db2.gz OMFNBRKJNJIHBU-JTQLQIEISA-N 1 0 306.797 2.130 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848570924 651472414 /nfs/dbraw/zinc/47/24/14/651472414.db2.gz CQUJKDKATXTBLQ-CMPLNLGQSA-N 1 0 306.362 2.035 20 10 DECDRO CCOCc1cc(CN[C@H](C[NH3+])C(F)(F)F)ccc1OC ZINC000848715607 651495925 /nfs/dbraw/zinc/49/59/25/651495925.db2.gz GQIIJRPUSNGPBI-CYBMUJFWSA-N 1 0 306.328 2.211 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000848909128 651555975 /nfs/dbraw/zinc/55/59/75/651555975.db2.gz LQYIRNBUNWHMFP-MRXNPFEDSA-N 1 0 318.461 2.499 20 10 DECDRO COc1ccc(O)c(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000849009071 651580715 /nfs/dbraw/zinc/58/07/15/651580715.db2.gz YSZPNTMAIBJESV-UHFFFAOYSA-N 1 0 305.403 2.319 20 10 DECDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044087 651593506 /nfs/dbraw/zinc/59/35/06/651593506.db2.gz SVYMPXMTXVFDRT-KGLIPLIRSA-N 1 0 304.438 2.434 20 10 DECDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044088 651593719 /nfs/dbraw/zinc/59/37/19/651593719.db2.gz SVYMPXMTXVFDRT-UONOGXRCSA-N 1 0 304.438 2.434 20 10 DECDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC(=O)CS1 ZINC000855200956 651645268 /nfs/dbraw/zinc/64/52/68/651645268.db2.gz LQRHXJSIOJQIKC-UHFFFAOYSA-N 1 0 324.446 2.075 20 10 DECDRO COC[C@H](O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850230981 651869774 /nfs/dbraw/zinc/86/97/74/651869774.db2.gz GYQRBMUUDVDASC-CYBMUJFWSA-N 1 0 311.422 2.185 20 10 DECDRO CCON(C)C(=O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850338567 651902559 /nfs/dbraw/zinc/90/25/59/651902559.db2.gz JBZJOJHOQZVWOO-UHFFFAOYSA-N 1 0 324.421 2.198 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)ccc1OC ZINC000850344819 651905089 /nfs/dbraw/zinc/90/50/89/651905089.db2.gz XNXHOKTWXQMQMJ-MAUKXSAKSA-N 1 0 323.433 2.373 20 10 DECDRO Fc1cc(C[NH2+][C@@H]2COC3(CCC3)C2)ccc1N1CCOCC1 ZINC000850367516 651912463 /nfs/dbraw/zinc/91/24/63/651912463.db2.gz LUBYUJONTKMAPB-HNNXBMFYSA-N 1 0 320.408 2.464 20 10 DECDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000850388362 651917485 /nfs/dbraw/zinc/91/74/85/651917485.db2.gz LPNNGHZGIGSPBN-MRXNPFEDSA-N 1 0 322.424 2.161 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)O1 ZINC000850406826 651922800 /nfs/dbraw/zinc/92/28/00/651922800.db2.gz VKMOBYFCAHCSDY-LBTNJELSSA-N 1 0 304.434 2.303 20 10 DECDRO CCN1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850488431 651938079 /nfs/dbraw/zinc/93/80/79/651938079.db2.gz MRSZFKSYQDUITP-MRXNPFEDSA-N 1 0 303.450 2.348 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccnn3C)C2)cc1 ZINC000850489129 651938571 /nfs/dbraw/zinc/93/85/71/651938571.db2.gz QZJZENWEZWTXTD-UONOGXRCSA-N 1 0 300.406 2.358 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000850554956 651952719 /nfs/dbraw/zinc/95/27/19/651952719.db2.gz FTCUWMICSSTDJI-UKRRQHHQSA-N 1 0 320.433 2.305 20 10 DECDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC000857226743 652083902 /nfs/dbraw/zinc/08/39/02/652083902.db2.gz YMMNPZPCQAAWCU-BXUZGUMPSA-N 1 0 311.223 2.468 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCCSc1nccs1 ZINC000851657911 652200225 /nfs/dbraw/zinc/20/02/25/652200225.db2.gz QJQUWOJETGTRAZ-LLVKDONJSA-N 1 0 316.496 2.298 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851658397 652200911 /nfs/dbraw/zinc/20/09/11/652200911.db2.gz BNWTXLSPGVQBCI-XJKSGUPXSA-N 1 0 306.454 2.486 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676116 652204807 /nfs/dbraw/zinc/20/48/07/652204807.db2.gz DQUXNKIWFPWSQX-UHFFFAOYSA-N 1 0 317.433 2.456 20 10 DECDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000851678058 652205017 /nfs/dbraw/zinc/20/50/17/652205017.db2.gz NQRJSLCLNKBVST-MRXNPFEDSA-N 1 0 319.449 2.444 20 10 DECDRO COc1ccc(N2CC[NH+](CC[C@@H]3COC(C)(C)O3)CC2)cc1 ZINC000851714019 652213323 /nfs/dbraw/zinc/21/33/23/652213323.db2.gz KTGHAHSFWPJNMW-QGZVFWFLSA-N 1 0 320.433 2.359 20 10 DECDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115781269 652236451 /nfs/dbraw/zinc/23/64/51/652236451.db2.gz MQWKOGWZCRARMD-UHFFFAOYSA-N 1 0 306.454 2.202 20 10 DECDRO CC(C)N1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC000858140718 652263946 /nfs/dbraw/zinc/26/39/46/652263946.db2.gz DHDRWWSEWBYFEG-LBPRGKRZSA-N 1 0 311.376 2.130 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858205892 652278158 /nfs/dbraw/zinc/27/81/58/652278158.db2.gz IQUVSZDLUPCCBW-KRWDZBQOSA-N 1 0 304.434 2.430 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000858277514 652295006 /nfs/dbraw/zinc/29/50/06/652295006.db2.gz HZSFUQUCDRKFAG-CQSZACIVSA-N 1 0 305.422 2.232 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000858276182 652295021 /nfs/dbraw/zinc/29/50/21/652295021.db2.gz RGHDCIKOSGZATO-AWEZNQCLSA-N 1 0 305.422 2.374 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000858289414 652297531 /nfs/dbraw/zinc/29/75/31/652297531.db2.gz LELCGRZUDRFGIG-AEFFLSMTSA-N 1 0 313.401 2.473 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000858294602 652298662 /nfs/dbraw/zinc/29/86/62/652298662.db2.gz JYTWKARFYOWGQC-OAHLLOKOSA-N 1 0 319.449 2.478 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000852412588 652397614 /nfs/dbraw/zinc/39/76/14/652397614.db2.gz WKILMWDNILZGFJ-INIZCTEOSA-N 1 0 318.465 2.425 20 10 DECDRO COc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1O ZINC000854246318 652664496 /nfs/dbraw/zinc/66/44/96/652664496.db2.gz OTKWUGCSRJLBNK-ZDUSSCGKSA-N 1 0 321.421 2.073 20 10 DECDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000305167711 685280513 /nfs/dbraw/zinc/28/05/13/685280513.db2.gz SVEVSPUIUQJAJD-HIFRSBDPSA-N 1 0 310.413 2.474 20 10 DECDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000391475399 685446611 /nfs/dbraw/zinc/44/66/11/685446611.db2.gz LCGCJDNPSKNUQR-UHFFFAOYSA-N 1 0 311.429 2.445 20 10 DECDRO Cn1nccc1C([NH2+][C@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000858586640 685563016 /nfs/dbraw/zinc/56/30/16/685563016.db2.gz VUSMUZMZZCESSD-ZDUSSCGKSA-N 1 0 323.400 2.226 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858602979 685567116 /nfs/dbraw/zinc/56/71/16/685567116.db2.gz OISDFZPOIKALBD-NHYWBVRUSA-N 1 0 304.390 2.205 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)CCN2CCOCC2)cc1F ZINC000092974768 684047178 /nfs/dbraw/zinc/04/71/78/684047178.db2.gz AROOFCIMFZTNPI-UHFFFAOYSA-N 1 0 323.456 2.436 20 10 DECDRO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000093460514 684049809 /nfs/dbraw/zinc/04/98/09/684049809.db2.gz XYWAEYBNAYIKMG-KRWDZBQOSA-N 1 0 320.433 2.297 20 10 DECDRO CCOCCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000119567230 684083752 /nfs/dbraw/zinc/08/37/52/684083752.db2.gz PGUFAYASDWDPIA-UHFFFAOYSA-N 1 0 315.797 2.447 20 10 DECDRO CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000125560017 684146782 /nfs/dbraw/zinc/14/67/82/684146782.db2.gz HJLGMPHWTRNVLI-OAHLLOKOSA-N 1 0 308.397 2.273 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000282605041 685219538 /nfs/dbraw/zinc/21/95/38/685219538.db2.gz YKVFQGQSHNXOMV-UHFFFAOYSA-N 1 0 321.428 2.341 20 10 DECDRO Cc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)ccc1N(C)C ZINC000292900819 685224292 /nfs/dbraw/zinc/22/42/92/685224292.db2.gz WBBFMFOWAAERGG-UHFFFAOYSA-N 1 0 301.434 2.163 20 10 DECDRO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C[NH2+]1 ZINC000861556659 686145125 /nfs/dbraw/zinc/14/51/25/686145125.db2.gz DQEDDLZUQPNYAA-ZBFHGGJFSA-N 1 0 316.449 2.227 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000861562440 686145607 /nfs/dbraw/zinc/14/56/07/686145607.db2.gz XRBLSZQCDLTKIB-GDBMZVCRSA-N 1 0 318.465 2.473 20 10 DECDRO C[C@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C[NH2+]1 ZINC000861568023 686146331 /nfs/dbraw/zinc/14/63/31/686146331.db2.gz NILQMDOGKSJCDA-BBRMVZONSA-N 1 0 316.449 2.009 20 10 DECDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862225275 686259141 /nfs/dbraw/zinc/25/91/41/686259141.db2.gz QCQAYWHBLNZIMY-WDEREUQCSA-N 1 0 311.376 2.117 20 10 DECDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000863337615 686480744 /nfs/dbraw/zinc/48/07/44/686480744.db2.gz FECPFQDAGYRRHA-DGCLKSJQSA-N 1 0 305.374 2.000 20 10 DECDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000863540209 686517517 /nfs/dbraw/zinc/51/75/17/686517517.db2.gz CITGBLJWXLXWKX-MAUKXSAKSA-N 1 0 315.461 2.458 20 10 DECDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C(F)(F)F)cc1O ZINC000866420017 687567421 /nfs/dbraw/zinc/56/74/21/687567421.db2.gz LXMCZFJOPJQHRA-LOWVWBTDSA-N 1 0 305.296 2.211 20 10 DECDRO COc1ccc(N(CC2CC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000866673058 687648836 /nfs/dbraw/zinc/64/88/36/687648836.db2.gz VYVLHAJRHWUDDV-KRWDZBQOSA-N 1 0 302.418 2.433 20 10 DECDRO CC[C@H](F)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019247161 688307942 /nfs/dbraw/zinc/30/79/42/688307942.db2.gz ZMAATHFYASGPIB-GJZGRUSLSA-N 1 0 308.397 2.442 20 10 DECDRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000930726701 694227855 /nfs/dbraw/zinc/22/78/55/694227855.db2.gz OJZHNVFIDKJONH-ZIFCJYIRSA-N 1 0 316.445 2.116 20 10 DECDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(C)C ZINC000871154120 688736851 /nfs/dbraw/zinc/73/68/51/688736851.db2.gz CMACIZNFVXKUOC-FNORWQNLSA-N 1 0 304.390 2.054 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1OC ZINC000872257860 688966114 /nfs/dbraw/zinc/96/61/14/688966114.db2.gz ZLXHWDDMTMSTBO-LBPRGKRZSA-N 1 0 317.332 2.265 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000873007980 689139840 /nfs/dbraw/zinc/13/98/40/689139840.db2.gz BMPJFKZMECEEGL-HNNXBMFYSA-N 1 0 311.447 2.308 20 10 DECDRO COc1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1Cn1cccn1 ZINC000873051788 689149161 /nfs/dbraw/zinc/14/91/61/689149161.db2.gz OXZYUVMBPWAQJA-SFHVURJKSA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1Cn1cccn1 ZINC000873104622 689159123 /nfs/dbraw/zinc/15/91/23/689159123.db2.gz OMGUTJBKTUEMFV-HNNXBMFYSA-N 1 0 315.417 2.456 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3ccc(C)cc3O)CC2)no1 ZINC000876548646 689853416 /nfs/dbraw/zinc/85/34/16/689853416.db2.gz OYYOXDUTRDATOO-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(=O)[nH]c1 ZINC000876551848 689854107 /nfs/dbraw/zinc/85/41/07/689854107.db2.gz YTWIRPQRSBBDAQ-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO COC(=O)CC[N@@H+](Cc1c(C)cccc1O)C[C@@H]1CCCO1 ZINC000876745103 689924407 /nfs/dbraw/zinc/92/44/07/689924407.db2.gz ZZRCZPHFOGVWCE-AWEZNQCLSA-N 1 0 307.390 2.245 20 10 DECDRO Cc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c(O)c1 ZINC000876810321 689944097 /nfs/dbraw/zinc/94/40/97/689944097.db2.gz RLUATJPWDFOAHM-RDJZCZTQSA-N 1 0 315.417 2.380 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931146279 694327222 /nfs/dbraw/zinc/32/72/22/694327222.db2.gz BXGAMNCCUQSICJ-INIZCTEOSA-N 1 0 307.413 2.381 20 10 DECDRO Cc1cccc(O)c1CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000876954510 689982233 /nfs/dbraw/zinc/98/22/33/689982233.db2.gz JMFGLLDOZSCAHH-UHFFFAOYSA-N 1 0 312.417 2.460 20 10 DECDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876974296 689987439 /nfs/dbraw/zinc/98/74/39/689987439.db2.gz CDACURYUWUHSDD-MSOLQXFVSA-N 1 0 304.434 2.305 20 10 DECDRO CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)c1ccc(N)cc1 ZINC000877076431 690013876 /nfs/dbraw/zinc/01/38/76/690013876.db2.gz MLJMQBISEZHUFZ-UHFFFAOYSA-N 1 0 316.430 2.469 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H](C)[NH3+])ccc21 ZINC000877106737 690019699 /nfs/dbraw/zinc/01/96/99/690019699.db2.gz ZEDXHXCYADTPLD-LBPRGKRZSA-N 1 0 317.433 2.324 20 10 DECDRO Cc1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000877117102 690021755 /nfs/dbraw/zinc/02/17/55/690021755.db2.gz INVCPSNNEMGVGY-LBPRGKRZSA-N 1 0 316.323 2.344 20 10 DECDRO CO[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000877342904 690082127 /nfs/dbraw/zinc/08/21/27/690082127.db2.gz RLDSBTDCMNTXPK-YJBOKZPZSA-N 1 0 322.449 2.115 20 10 DECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000877502991 690133649 /nfs/dbraw/zinc/13/36/49/690133649.db2.gz YAUVDOHCOXBMHC-MRXNPFEDSA-N 1 0 304.434 2.245 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000877505812 690134174 /nfs/dbraw/zinc/13/41/74/690134174.db2.gz ZOLDGGWBVGWIHY-PBHICJAKSA-N 1 0 305.418 2.358 20 10 DECDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877530967 690143148 /nfs/dbraw/zinc/14/31/48/690143148.db2.gz GZPQUHPIPGQKIL-GOSISDBHSA-N 1 0 320.477 2.487 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000877536182 690143822 /nfs/dbraw/zinc/14/38/22/690143822.db2.gz KJXSBDCBWUBGMB-BBWFWOEESA-N 1 0 302.418 2.437 20 10 DECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877553487 690149597 /nfs/dbraw/zinc/14/95/97/690149597.db2.gz TYSAYSMZTIWYFP-KXBFYZLASA-N 1 0 318.461 2.288 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000877646836 690178754 /nfs/dbraw/zinc/17/87/54/690178754.db2.gz LTQYNEHJMRMBIB-SFHVURJKSA-N 1 0 315.417 2.380 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(CCO)(CCO)CC2)c1O ZINC000877690775 690192197 /nfs/dbraw/zinc/19/21/97/690192197.db2.gz HGBVNSNVOWEOOU-UHFFFAOYSA-N 1 0 323.433 2.138 20 10 DECDRO CCOC(=O)[C@]1(C[NH2+]Cc2cc(C)ccc2O)CCCOC1 ZINC000877698940 690195622 /nfs/dbraw/zinc/19/56/22/690195622.db2.gz ROGYGGPGNCIGMO-KRWDZBQOSA-N 1 0 307.390 2.150 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CCNC3=O)CC2)c(Cl)c1 ZINC000877782344 690227023 /nfs/dbraw/zinc/22/70/23/690227023.db2.gz UATDMWANBOWDOE-UHFFFAOYSA-N 1 0 308.809 2.456 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1OC ZINC000877796308 690233911 /nfs/dbraw/zinc/23/39/11/690233911.db2.gz CLEHIZCYEZNAJI-CYBMUJFWSA-N 1 0 309.406 2.392 20 10 DECDRO COc1ccc(N2CCC[N@H+](CCc3cnccn3)CC2)cc1 ZINC000877982756 690278216 /nfs/dbraw/zinc/27/82/16/690278216.db2.gz AHIVDSVQITXKDJ-UHFFFAOYSA-N 1 0 312.417 2.240 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC000878728266 690487291 /nfs/dbraw/zinc/48/72/91/690487291.db2.gz LAHKXVYMOZPOPE-KBPBESRZSA-N 1 0 307.390 2.182 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC000879045208 690556238 /nfs/dbraw/zinc/55/62/38/690556238.db2.gz WWXWPDRTSJZAOA-INIZCTEOSA-N 1 0 307.413 2.178 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000879463815 690647023 /nfs/dbraw/zinc/64/70/23/690647023.db2.gz QZMMQRIJBLFZNC-HNNXBMFYSA-N 1 0 306.406 2.005 20 10 DECDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879650019 690699124 /nfs/dbraw/zinc/69/91/24/690699124.db2.gz XYKDVKMYWJPRJR-ZYHUDNBSSA-N 1 0 316.405 2.420 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000879649531 690699358 /nfs/dbraw/zinc/69/93/58/690699358.db2.gz VPJPFMPDRYAASL-CHWSQXEVSA-N 1 0 324.421 2.271 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880291782 690860722 /nfs/dbraw/zinc/86/07/22/690860722.db2.gz IYFCRELWTRTMSU-HNNXBMFYSA-N 1 0 307.413 2.002 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCCF)cc1 ZINC001039060852 691006173 /nfs/dbraw/zinc/00/61/73/691006173.db2.gz NFHLUGLCRZVFOI-CYBMUJFWSA-N 1 0 321.356 2.013 20 10 DECDRO Cc1[nH]ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850829 691173915 /nfs/dbraw/zinc/17/39/15/691173915.db2.gz HMHSJWGVPDKECQ-UHFFFAOYSA-N 1 0 312.417 2.005 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccncc3N)C2)cc1 ZINC000883149650 691441286 /nfs/dbraw/zinc/44/12/86/691441286.db2.gz GWQFDQJVVQEMRP-AWEZNQCLSA-N 1 0 312.417 2.289 20 10 DECDRO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000883190570 691453687 /nfs/dbraw/zinc/45/36/87/691453687.db2.gz HJEUJRLAEFTUPL-UHFFFAOYSA-N 1 0 312.360 2.409 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1OC ZINC000884481604 691748703 /nfs/dbraw/zinc/74/87/03/691748703.db2.gz NPOIIGKYFHPXEC-SWLSCSKDSA-N 1 0 307.390 2.410 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2)CC1 ZINC000886325109 692056557 /nfs/dbraw/zinc/05/65/57/692056557.db2.gz UTVUJCJWOCDZQV-UHFFFAOYSA-N 1 0 312.417 2.006 20 10 DECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886333387 692058919 /nfs/dbraw/zinc/05/89/19/692058919.db2.gz HXFLDUABJXCNLP-GDZNZVCISA-N 1 0 307.390 2.217 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O ZINC000886341027 692061655 /nfs/dbraw/zinc/06/16/55/692061655.db2.gz OMRWFTALVTTWPQ-SCGCMHLBSA-N 1 0 321.417 2.463 20 10 DECDRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000886740791 692180562 /nfs/dbraw/zinc/18/05/62/692180562.db2.gz JAAHBQUAKGWPFB-HNNXBMFYSA-N 1 0 316.449 2.353 20 10 DECDRO [NH2+]=C(NCc1cc(Br)ccc1O)NCC(F)F ZINC000887359311 692344696 /nfs/dbraw/zinc/34/46/96/692344696.db2.gz OGHRNBKGKUDMEQ-UHFFFAOYSA-N 1 0 308.126 2.034 20 10 DECDRO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000924794466 693186082 /nfs/dbraw/zinc/18/60/82/693186082.db2.gz FLTJLAXGGBHRSJ-RHSMWYFYSA-N 1 0 320.433 2.325 20 10 DECDRO Oc1cccc2c1[C@@H](N[C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925796123 693343909 /nfs/dbraw/zinc/34/39/09/693343909.db2.gz KSPOMKKTLAEJSC-GJZGRUSLSA-N 1 0 302.418 2.128 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H](C)n4ncnc43)C2)cc1 ZINC000926680222 693490925 /nfs/dbraw/zinc/49/09/25/693490925.db2.gz KZXTWLWZEUHLQQ-XEZPLFJOSA-N 1 0 313.405 2.161 20 10 DECDRO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc2c(cc1O)CCCC2 ZINC000927136697 693559554 /nfs/dbraw/zinc/55/95/54/693559554.db2.gz RVSVVVBEWSMSDG-KPZWWZAWSA-N 1 0 315.417 2.389 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001333308789 1150030278 /nfs/dbraw/zinc/03/02/78/1150030278.db2.gz ZGWODQVDTYTAMB-SJLPKXTDSA-N 1 0 304.434 2.428 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(OC)n1 ZINC001333717248 1150083062 /nfs/dbraw/zinc/08/30/62/1150083062.db2.gz ALCFRPFBYAFQHJ-UHFFFAOYSA-N 1 0 318.373 2.411 20 10 DECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@@H]1C ZINC001335724075 1150511584 /nfs/dbraw/zinc/51/15/84/1150511584.db2.gz FUBWBHOVBSYEHD-BBRMVZONSA-N 1 0 304.438 2.283 20 10 DECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001348822656 1151199915 /nfs/dbraw/zinc/19/99/15/1151199915.db2.gz YCBKWVCDQBYHPI-RYQLBKOJSA-N 1 0 313.445 2.243 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)c1O ZINC001349328916 1151241964 /nfs/dbraw/zinc/24/19/64/1151241964.db2.gz ASKLFZBMADDMSU-CFVMTHIKSA-N 1 0 318.417 2.137 20 10 DECDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406762 777082507 /nfs/dbraw/zinc/08/25/07/777082507.db2.gz SBZRBUNVZXIMRH-VURMDHGXSA-N 1 0 306.406 2.157 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)COC(C)(C)C)cc1C ZINC001125972630 778473171 /nfs/dbraw/zinc/47/31/71/778473171.db2.gz QTKFKNRVYROZSD-UHFFFAOYSA-N 1 0 308.422 2.025 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)cn1 ZINC001144259385 790824386 /nfs/dbraw/zinc/82/43/86/790824386.db2.gz QGXBUDUQQQVXTK-UHFFFAOYSA-N 1 0 313.401 2.256 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc3C2)cc1O ZINC001168399134 781793003 /nfs/dbraw/zinc/79/30/03/781793003.db2.gz XQRWSYPMVBREKV-CRAIPNDOSA-N 1 0 317.360 2.417 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c1 ZINC001144509156 790940586 /nfs/dbraw/zinc/94/05/86/790940586.db2.gz MZMQELMEIPBHIA-UHFFFAOYSA-N 1 0 318.348 2.265 20 10 DECDRO COC(=O)CC[N@H+](Cc1c(O)cc(O)cc1O)C1CCCC1 ZINC001144509292 790940776 /nfs/dbraw/zinc/94/07/76/790940776.db2.gz SBBILXHSZWYCCM-UHFFFAOYSA-N 1 0 309.362 2.111 20 10 DECDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c1 ZINC001144508837 790941326 /nfs/dbraw/zinc/94/13/26/790941326.db2.gz AATHHJRGNDRVIE-UHFFFAOYSA-N 1 0 316.357 2.242 20 10 DECDRO COc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1O ZINC000824798181 783607552 /nfs/dbraw/zinc/60/75/52/783607552.db2.gz IAAVXLZAMNGSST-KBPBESRZSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1O ZINC000826848718 783661469 /nfs/dbraw/zinc/66/14/69/783661469.db2.gz OROHRGUDNFUBGD-SJORKVTESA-N 1 0 310.397 2.402 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC001333685371 1150079241 /nfs/dbraw/zinc/07/92/41/1150079241.db2.gz PZYGYSOXVUAHOV-KBPBESRZSA-N 1 0 311.353 2.124 20 10 DECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065244 /nfs/dbraw/zinc/06/52/44/785065244.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 1 0 302.418 2.471 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CC)Cc2ccccc2O)CO1 ZINC001169411378 785183550 /nfs/dbraw/zinc/18/35/50/785183550.db2.gz SFQVMOHTXIMRPM-ZBFHGGJFSA-N 1 0 307.390 2.325 20 10 DECDRO COC[C@@H](C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001169791373 785371236 /nfs/dbraw/zinc/37/12/36/785371236.db2.gz TVUQBSXTAYTCIU-AWEZNQCLSA-N 1 0 322.449 2.272 20 10 DECDRO C[C@@H](CC[NH2+]Cc1ccc(Br)cc1O)[S@](C)=O ZINC000691440285 785539637 /nfs/dbraw/zinc/53/96/37/785539637.db2.gz POEPBEQDZULWSS-XYZCENFISA-N 1 0 320.252 2.401 20 10 DECDRO Cc1ncc(C[NH2+]Cc2cc(Br)ccc2O)n1C ZINC000689201093 787606402 /nfs/dbraw/zinc/60/64/02/787606402.db2.gz OTINHKJZFKQNAF-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170564031 787638205 /nfs/dbraw/zinc/63/82/05/787638205.db2.gz OHHUDRDPLYGMHS-TZMCWYRMSA-N 1 0 305.374 2.188 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCO[C@H]2C)cc1C ZINC001131693822 787691709 /nfs/dbraw/zinc/69/17/09/787691709.db2.gz SWTJGYCRXDVSNL-KBXCAEBGSA-N 1 0 320.433 2.025 20 10 DECDRO CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133596496 788515678 /nfs/dbraw/zinc/51/56/78/788515678.db2.gz XJZWLUIPCSQPFU-HUUCEWRRSA-N 1 0 322.449 2.413 20 10 DECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001135625172 789426376 /nfs/dbraw/zinc/42/63/76/789426376.db2.gz WWXAHJNVHZGTSG-GFCCVEGCSA-N 1 0 320.414 2.121 20 10 DECDRO COc1cc(Cl)cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206138304 792645394 /nfs/dbraw/zinc/64/53/94/792645394.db2.gz APJONFAYURFQJX-SNVBAGLBSA-N 1 0 306.740 2.223 20 10 DECDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CSc3ccccc3C2)cc1O ZINC001172193692 793375741 /nfs/dbraw/zinc/37/57/41/793375741.db2.gz NLYWWZRIUPGSNM-CZUORRHYSA-N 1 0 317.410 2.438 20 10 DECDRO C[NH+](C)Cc1ccccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001173931048 793872195 /nfs/dbraw/zinc/87/21/95/793872195.db2.gz FHGNVHYPQLJICK-UHFFFAOYSA-N 1 0 319.430 2.428 20 10 DECDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691439481 794451510 /nfs/dbraw/zinc/45/15/10/794451510.db2.gz GAOYBUPYTGZENC-VVVCHXIZSA-N 1 0 320.252 2.401 20 10 DECDRO CS(=O)(=O)CC1(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000692827045 794487246 /nfs/dbraw/zinc/48/72/46/794487246.db2.gz IYYUFULGICGTPA-UHFFFAOYSA-N 1 0 317.838 2.350 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1C ZINC001116092638 794938499 /nfs/dbraw/zinc/93/84/99/794938499.db2.gz QVYONCAMHWVZLS-OAHLLOKOSA-N 1 0 300.406 2.106 20 10 DECDRO CN1CCN(c2ccc(C[NH2+][C@]3(C)CCCOC3)cc2F)CC1 ZINC001116496838 794960968 /nfs/dbraw/zinc/96/09/68/794960968.db2.gz VLQNZTSMGOIQGR-GOSISDBHSA-N 1 0 321.440 2.236 20 10 DECDRO COC[C@](C)(CCO)[NH2+]Cc1c(O)cccc1Br ZINC001118855543 795232811 /nfs/dbraw/zinc/23/28/11/795232811.db2.gz IXBLRIYDWGDRDV-ZDUSSCGKSA-N 1 0 318.211 2.032 20 10 DECDRO CCN(C)c1ccc(C[NH2+][C@H]2COCCC2(OC)OC)cc1 ZINC001119826693 795361138 /nfs/dbraw/zinc/36/11/38/795361138.db2.gz RBKNLXKKQOECIT-INIZCTEOSA-N 1 0 308.422 2.010 20 10 DECDRO CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC(C)(C)[NH2+]1 ZINC001181430472 795470350 /nfs/dbraw/zinc/47/03/50/795470350.db2.gz NMJLHJPZNBNKKY-UHFFFAOYSA-N 1 0 306.406 2.019 20 10 DECDRO Cc1cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)cc1Br ZINC001206454402 795482208 /nfs/dbraw/zinc/48/22/08/795482208.db2.gz DPVXIINBNYKURL-QWRGUYRKSA-N 1 0 317.202 2.334 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001120598866 795495607 /nfs/dbraw/zinc/49/56/07/795495607.db2.gz GMZKOOXEBWRJGL-CABCVRRESA-N 1 0 318.465 2.187 20 10 DECDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC001120677064 795511537 /nfs/dbraw/zinc/51/15/37/795511537.db2.gz IJNYILMGXGDZIT-UHFFFAOYSA-N 1 0 304.438 2.286 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)C(F)(F)F)cc1 ZINC001121893209 795699776 /nfs/dbraw/zinc/69/97/76/795699776.db2.gz VYXBNOZCEMOHMV-LBPRGKRZSA-N 1 0 317.355 2.457 20 10 DECDRO CN(C(=O)c1ncoc1C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC001122093532 795725572 /nfs/dbraw/zinc/72/55/72/795725572.db2.gz ALIRUTBAABRCMR-UHFFFAOYSA-N 1 0 300.362 2.000 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)CCc2ccco2)cc1C ZINC001123427838 795912250 /nfs/dbraw/zinc/91/22/50/795912250.db2.gz ISLQMWWBUAOFQT-UHFFFAOYSA-N 1 0 316.401 2.435 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)OCC2CC2)cc1C ZINC001124479286 796069462 /nfs/dbraw/zinc/06/94/62/796069462.db2.gz KFKOUWXQDOLZAC-CQSZACIVSA-N 1 0 320.433 2.025 20 10 DECDRO CN1CCC2(C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC001138222366 796185078 /nfs/dbraw/zinc/18/50/78/796185078.db2.gz UINFTLJUELOWOG-UHFFFAOYSA-N 1 0 313.445 2.341 20 10 DECDRO COc1cc(CN2CCCC(=O)CC2)cc(C[NH+](C)C)c1O ZINC001139256312 796350493 /nfs/dbraw/zinc/35/04/93/796350493.db2.gz YMUWFVMATVCDHB-UHFFFAOYSA-N 1 0 306.406 2.017 20 10 DECDRO COc1cc(CN2Cc3ncsc3C2)cc(C[NH+](C)C)c1O ZINC001139259590 796351704 /nfs/dbraw/zinc/35/17/04/796351704.db2.gz XJZKBDIHMINFNH-UHFFFAOYSA-N 1 0 319.430 2.435 20 10 DECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001140055550 796471075 /nfs/dbraw/zinc/47/10/75/796471075.db2.gz KLMPSWSMDNJTLO-ZMSDIMECSA-N 1 0 307.365 2.157 20 10 DECDRO COC[C@H]1CN(Cc2cc(F)ccc2O)Cc2ncn(C)c21 ZINC001140054298 796471092 /nfs/dbraw/zinc/47/10/92/796471092.db2.gz PADSACVDRDXLMQ-GFCCVEGCSA-N 1 0 305.353 2.011 20 10 DECDRO Cc1ccc(C)c(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1O ZINC001140185164 796487842 /nfs/dbraw/zinc/48/78/42/796487842.db2.gz QQAHNMYEARPTLB-GASCZTMLSA-N 1 0 304.434 2.302 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@H](C)C3)cc2)CC1 ZINC001140301949 796504087 /nfs/dbraw/zinc/50/40/87/796504087.db2.gz FFVTYPCWFSVXPZ-MRXNPFEDSA-N 1 0 303.450 2.049 20 10 DECDRO CC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663764 796553057 /nfs/dbraw/zinc/55/30/57/796553057.db2.gz OTCVWAYAAYAFJV-UHFFFAOYSA-N 1 0 320.408 2.463 20 10 DECDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]12 ZINC001140664361 796553115 /nfs/dbraw/zinc/55/31/15/796553115.db2.gz HAWITNRQPHJVGB-MZMPZRCHSA-N 1 0 320.408 2.129 20 10 DECDRO CC[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140663568 796553473 /nfs/dbraw/zinc/55/34/73/796553473.db2.gz JGYCDFCYXVUITN-HNNXBMFYSA-N 1 0 308.397 2.273 20 10 DECDRO Cc1ccc(C[N@@H+]2CCc3onc(Cn4ccnc4)c3C2)c(O)c1 ZINC001140952566 796606418 /nfs/dbraw/zinc/60/64/18/796606418.db2.gz XPSTUGGJBVPRQZ-UHFFFAOYSA-N 1 0 324.384 2.492 20 10 DECDRO CN1CCOc2cc(C[NH+]3CCC4(CCOC4=O)CC3)ccc21 ZINC001141145000 796638992 /nfs/dbraw/zinc/63/89/92/796638992.db2.gz OBCCYWBLSHAHFE-UHFFFAOYSA-N 1 0 316.401 2.044 20 10 DECDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156220 796641292 /nfs/dbraw/zinc/64/12/92/796641292.db2.gz HMUWSNGDECMMKF-VXGBXAGGSA-N 1 0 305.296 2.233 20 10 DECDRO O=C([C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1O)N1CCCC1 ZINC001141159828 796642360 /nfs/dbraw/zinc/64/23/60/796642360.db2.gz LYLDLTLMNDIQAX-HNNXBMFYSA-N 1 0 304.390 2.075 20 10 DECDRO Oc1ccc(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC001141161159 796643181 /nfs/dbraw/zinc/64/31/81/796643181.db2.gz NDCSUUGSMDDHGO-UHFFFAOYSA-N 1 0 319.792 2.468 20 10 DECDRO CCc1nnc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)o1 ZINC001141160915 796643252 /nfs/dbraw/zinc/64/32/52/796643252.db2.gz JKPQTFOEOXQOJA-UHFFFAOYSA-N 1 0 303.362 2.423 20 10 DECDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193236725 797528606 /nfs/dbraw/zinc/52/86/06/797528606.db2.gz OWPWYAVEZGCBPA-JTQLQIEISA-N 1 0 312.797 2.213 20 10 DECDRO CCc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156650825 798053871 /nfs/dbraw/zinc/05/38/71/798053871.db2.gz DGGHNAQXJVAWNU-UHFFFAOYSA-N 1 0 311.433 2.403 20 10 DECDRO Fc1cc(C[NH2+]Cc2cncs2)ccc1N1CCOCC1 ZINC001199412381 798483742 /nfs/dbraw/zinc/48/37/42/798483742.db2.gz GWKCRVROJUCNQW-UHFFFAOYSA-N 1 0 307.394 2.409 20 10 DECDRO CN(C)c1ccc(CNC(=S)NCC[NH+]2CCCCC2)cc1 ZINC001200439482 798628243 /nfs/dbraw/zinc/62/82/43/798628243.db2.gz BWFSLCWQKLAOIZ-UHFFFAOYSA-N 1 0 320.506 2.203 20 10 DECDRO CC(C)C[C@@](C)([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924087 798763090 /nfs/dbraw/zinc/76/30/90/798763090.db2.gz BTULZSXLTBKJRE-QGZVFWFLSA-N 1 0 306.406 2.136 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)CCSC)cc1C ZINC001154443582 799510334 /nfs/dbraw/zinc/51/03/34/799510334.db2.gz UQDLYRGASKCBES-UHFFFAOYSA-N 1 0 310.463 2.353 20 10 DECDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551784 800079698 /nfs/dbraw/zinc/07/96/98/800079698.db2.gz NYARPYHSFAXYPD-HNNXBMFYSA-N 1 0 301.390 2.262 20 10 DECDRO CCOc1cccc(C[N@H+](CCOC)C2CCN(C)CC2)c1O ZINC001203609233 800089169 /nfs/dbraw/zinc/08/91/69/800089169.db2.gz CXBWUTHTKIURBG-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO COc1ccc(C[NH+]2CCN(c3ncc(C)s3)CC2)c(O)c1 ZINC001203627930 800093483 /nfs/dbraw/zinc/09/34/83/800093483.db2.gz SDFFPUPVRAXUMB-UHFFFAOYSA-N 1 0 319.430 2.488 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001203675237 800104013 /nfs/dbraw/zinc/10/40/13/800104013.db2.gz QVTGOQYURNKHNC-UHFFFAOYSA-N 1 0 318.417 2.235 20 10 DECDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673318 800104365 /nfs/dbraw/zinc/10/43/65/800104365.db2.gz UYRIQLGUNCQMHY-ZWKOTPCHSA-N 1 0 321.417 2.418 20 10 DECDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878056 800138524 /nfs/dbraw/zinc/13/85/24/800138524.db2.gz AAHJBIVXAPMPIO-OAHLLOKOSA-N 1 0 321.417 2.363 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c2ccccc21 ZINC001204235201 800192950 /nfs/dbraw/zinc/19/29/50/800192950.db2.gz JROXPDMQJPFNPN-IBGZPJMESA-N 1 0 314.429 2.489 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001204276325 800199379 /nfs/dbraw/zinc/19/93/79/800199379.db2.gz KOFDGLHQOWIUKP-NOZJJQNGSA-N 1 0 305.296 2.233 20 10 DECDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347690 800206771 /nfs/dbraw/zinc/20/67/71/800206771.db2.gz AZBCRJKZCJBWMS-DYVFJYSZSA-N 1 0 307.390 2.355 20 10 DECDRO COc1cc(C[NH+]2CCC(c3ncccn3)CC2)cc(O)c1O ZINC001204345511 800207019 /nfs/dbraw/zinc/20/70/19/800207019.db2.gz UCQUHLXSFCKKPL-UHFFFAOYSA-N 1 0 315.373 2.276 20 10 DECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C2OCCO2)c1O ZINC000933905892 800210651 /nfs/dbraw/zinc/21/06/51/800210651.db2.gz VBXMIFPSYKEUSE-AWEZNQCLSA-N 1 0 309.337 2.071 20 10 DECDRO [NH3+][C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1F ZINC001204830394 800263818 /nfs/dbraw/zinc/26/38/18/800263818.db2.gz SXNNBZOOYZBTNH-SJORKVTESA-N 1 0 316.376 2.452 20 10 DECDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)c(Br)c1 ZINC001205197174 800313471 /nfs/dbraw/zinc/31/34/71/800313471.db2.gz JIULLLSELGIOOP-PRHODGIISA-N 1 0 315.211 2.085 20 10 DECDRO COc1cc(C)c(C[N@H+](CCCO)Cc2ccccn2)c(O)c1 ZINC001205685081 800401804 /nfs/dbraw/zinc/40/18/04/800401804.db2.gz QESZWEHAWCMAPP-UHFFFAOYSA-N 1 0 316.401 2.489 20 10 DECDRO COc1ccc(Br)c(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC001231549493 801686555 /nfs/dbraw/zinc/68/65/55/801686555.db2.gz BVPKNHPCKPNSIS-ZDUSSCGKSA-N 1 0 316.195 2.120 20 10 DECDRO C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231565722 801688267 /nfs/dbraw/zinc/68/82/67/801688267.db2.gz AWJXCUOMYMSKLR-UHFFFAOYSA-N 1 0 318.417 2.398 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001231587193 801690346 /nfs/dbraw/zinc/69/03/46/801690346.db2.gz QVAKSSURISHGMY-QZTJIDSGSA-N 1 0 301.386 2.111 20 10 DECDRO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001231595546 801692167 /nfs/dbraw/zinc/69/21/67/801692167.db2.gz ZBMOJZRKTQCUND-CQSZACIVSA-N 1 0 303.337 2.283 20 10 DECDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cccc(C)c2O)CC1 ZINC001231593103 801692327 /nfs/dbraw/zinc/69/23/27/801692327.db2.gz NAMHYCIKHGZZPV-AWEZNQCLSA-N 1 0 305.374 2.045 20 10 DECDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231633882 801700164 /nfs/dbraw/zinc/70/01/64/801700164.db2.gz BVAXOICGNDLZHP-LBPRGKRZSA-N 1 0 323.389 2.272 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635787 801700639 /nfs/dbraw/zinc/70/06/39/801700639.db2.gz LPFXRGNCQNHBFM-NSHDSACASA-N 1 0 323.389 2.270 20 10 DECDRO COc1cc(N(C)C)ccc1CN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001231857691 801738484 /nfs/dbraw/zinc/73/84/84/801738484.db2.gz NACNSSGGBGMXQO-QGZVFWFLSA-N 1 0 303.450 2.430 20 10 DECDRO COc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001231857378 801738910 /nfs/dbraw/zinc/73/89/10/801738910.db2.gz IBXKCEUZAPEGRB-MRXNPFEDSA-N 1 0 320.433 2.489 20 10 DECDRO C[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC001231879935 801743779 /nfs/dbraw/zinc/74/37/79/801743779.db2.gz XMFIPFCHNBVYID-FUHWJXTLSA-N 1 0 301.386 2.111 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1O ZINC001232195703 801813927 /nfs/dbraw/zinc/81/39/27/801813927.db2.gz XWGAVWYCGAYUHQ-GUYCJALGSA-N 1 0 324.852 2.379 20 10 DECDRO O=C(NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)C1CC1 ZINC001232268492 801834157 /nfs/dbraw/zinc/83/41/57/801834157.db2.gz PPUPRWIJMQDXBY-UHFFFAOYSA-N 1 0 324.808 2.242 20 10 DECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232839839 801969499 /nfs/dbraw/zinc/96/94/99/801969499.db2.gz XBZICBVRGVZUJB-CQSZACIVSA-N 1 0 306.406 2.233 20 10 DECDRO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233013218 802003339 /nfs/dbraw/zinc/00/33/39/802003339.db2.gz VBCQLDYPLCRJCQ-DYVFJYSZSA-N 1 0 307.390 2.442 20 10 DECDRO Oc1cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc(O)c1O ZINC001233012603 802003693 /nfs/dbraw/zinc/00/36/93/802003693.db2.gz LOTYDXSIUNCQTC-CQSZACIVSA-N 1 0 306.406 2.254 20 10 DECDRO CCN(Cc1cc(Br)c(OC)cc1O)C1COC1 ZINC001233140762 802034417 /nfs/dbraw/zinc/03/44/17/802034417.db2.gz TWFFCTSMRVVMNQ-UHFFFAOYSA-N 1 0 316.195 2.384 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1Br ZINC001233135558 802034877 /nfs/dbraw/zinc/03/48/77/802034877.db2.gz VELFJOILFPJPPP-PSASIEDQSA-N 1 0 316.195 2.118 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1O ZINC001233289563 802063897 /nfs/dbraw/zinc/06/38/97/802063897.db2.gz ZSYPSJDCOPQBLE-CHWSQXEVSA-N 1 0 324.808 2.249 20 10 DECDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455753 802121088 /nfs/dbraw/zinc/12/10/88/802121088.db2.gz XEUUEYJDKJNDHT-ZDUSSCGKSA-N 1 0 316.323 2.464 20 10 DECDRO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233483399 802127380 /nfs/dbraw/zinc/12/73/80/802127380.db2.gz YGIWEGJRBLTSRN-KBPBESRZSA-N 1 0 311.337 2.215 20 10 DECDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218034053 802134123 /nfs/dbraw/zinc/13/41/23/802134123.db2.gz KKLHZRRHUYFOBS-MEBBXXQBSA-N 1 0 323.348 2.154 20 10 DECDRO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727980 802190831 /nfs/dbraw/zinc/19/08/31/802190831.db2.gz SMDBXYHYTDYJJB-MWLCHTKSSA-N 1 0 323.286 2.443 20 10 DECDRO COC(=O)CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233768522 802204195 /nfs/dbraw/zinc/20/41/95/802204195.db2.gz SPPLUSSINHETEP-UHFFFAOYSA-N 1 0 307.268 2.286 20 10 DECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc[nH]c3cc(=O)c(O)cc1-3)C2 ZINC001233949563 802250753 /nfs/dbraw/zinc/25/07/53/802250753.db2.gz KPPBDUKBPNYOOO-URLYPYJESA-N 1 0 301.346 2.045 20 10 DECDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H](N)C[NH3+])cc2)cc1 ZINC001219203635 802297805 /nfs/dbraw/zinc/29/78/05/802297805.db2.gz KYNLIYQMZJEEQV-WHLIDYPQSA-N 1 0 324.428 2.148 20 10 DECDRO Cc1cc(C)c(CNC(=O)[C@H]([NH3+])Cc2ccccc2F)c(O)c1 ZINC001220826054 802502325 /nfs/dbraw/zinc/50/23/25/802502325.db2.gz ZACDCSNDDXPSKH-MRXNPFEDSA-N 1 0 316.376 2.334 20 10 DECDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(N)cc2)cn1 ZINC001335290105 1150393653 /nfs/dbraw/zinc/39/36/53/1150393653.db2.gz SDCPGPSQLWSJSJ-DLBZAZTESA-N 1 0 300.406 2.090 20 10 DECDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CCC[NH3+] ZINC001346738772 1151019569 /nfs/dbraw/zinc/01/95/69/1151019569.db2.gz KOUHEROFXJOKFL-CZUORRHYSA-N 1 0 304.438 2.318 20 10 DECDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001542390069 1072457191 /nfs/dbraw/zinc/45/71/91/1072457191.db2.gz YONNKKXWHOXDOX-CQSZACIVSA-N 1 0 303.450 2.273 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CCOC1=O ZINC001461139734 1058590991 /nfs/dbraw/zinc/59/09/91/1058590991.db2.gz KECHUZJUVPCGKK-UHFFFAOYSA-N 1 0 301.390 2.419 20 10 DECDRO CN1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001329065982 1148862263 /nfs/dbraw/zinc/86/22/63/1148862263.db2.gz CLJLRKOJNQWEGB-KRWDZBQOSA-N 1 0 301.434 2.339 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2conc2C)cc1C ZINC001480528307 1062990786 /nfs/dbraw/zinc/99/07/86/1062990786.db2.gz FELIWZVAGKNGGW-LBPRGKRZSA-N 1 0 317.389 2.208 20 10 DECDRO C[C@H](C[N@H+](C)CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569153041 1065323189 /nfs/dbraw/zinc/32/31/89/1065323189.db2.gz OHPYDYSJHNVXAI-LLVKDONJSA-N 1 0 317.393 2.309 20 10 DECDRO C[NH+](C)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001628224628 1078293836 /nfs/dbraw/zinc/29/38/36/1078293836.db2.gz XXYQTBHPUXXRGJ-UHFFFAOYSA-N 1 0 306.406 2.021 20 10 DECDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001620780670 1066674164 /nfs/dbraw/zinc/67/41/64/1066674164.db2.gz VZHLLMHTVDOBGY-MRXNPFEDSA-N 1 0 303.450 2.097 20 10 DECDRO CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266996389 1078487476 /nfs/dbraw/zinc/48/74/76/1078487476.db2.gz OXYBUNKWYZISMJ-CMPLNLGQSA-N 1 0 323.372 2.305 20 10 DECDRO CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267026445 1078512435 /nfs/dbraw/zinc/51/24/35/1078512435.db2.gz NWFYRIXYEQOPTM-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001580096326 1067494962 /nfs/dbraw/zinc/49/49/62/1067494962.db2.gz GVCZUHGDYGASBR-UHFFFAOYSA-N 1 0 323.356 2.382 20 10 DECDRO O=C(NCc1cccc(O)c1O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001520508633 1069147476 /nfs/dbraw/zinc/14/74/76/1069147476.db2.gz IADDYZWRWPCUBY-AWEZNQCLSA-N 1 0 318.417 2.369 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC001521489332 1069245556 /nfs/dbraw/zinc/24/55/56/1069245556.db2.gz LEUZVWSPQZRVTE-UHFFFAOYSA-N 1 0 324.428 2.032 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)cc1F ZINC001647039917 1074772775 /nfs/dbraw/zinc/77/27/75/1074772775.db2.gz INPUNBSWUKUGEZ-MRXNPFEDSA-N 1 0 311.470 2.419 20 10 DECDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001648780005 1075009338 /nfs/dbraw/zinc/00/93/38/1075009338.db2.gz RNKNYRDZPRSBCI-CQSZACIVSA-N 1 0 318.396 2.037 20 10 DECDRO Cc1cnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC001559709704 1075127921 /nfs/dbraw/zinc/12/79/21/1075127921.db2.gz OBJCVHQFFIUADL-OAHLLOKOSA-N 1 0 312.417 2.472 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001560274647 1075135863 /nfs/dbraw/zinc/13/58/63/1075135863.db2.gz MKNCQGLEXUXXHJ-DZGCQCFKSA-N 1 0 308.397 2.319 20 10 DECDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560618331 1075143096 /nfs/dbraw/zinc/14/30/96/1075143096.db2.gz PZFPAFFESYVFRN-MRXNPFEDSA-N 1 0 315.417 2.185 20 10 DECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1c(C)cc(OC)cc1O)C2 ZINC001560972561 1075148708 /nfs/dbraw/zinc/14/87/08/1075148708.db2.gz QXZNEQJYRUFHNC-PEBVRCNWSA-N 1 0 305.374 2.141 20 10 DECDRO O=C(NCc1cc(O)ccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001580711587 1075980681 /nfs/dbraw/zinc/98/06/81/1075980681.db2.gz OWFPSXUMKGFLNO-UGFHNGPFSA-N 1 0 304.390 2.025 20 10 DECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001580886131 1076014530 /nfs/dbraw/zinc/01/45/30/1076014530.db2.gz ZXDHCLMBYJBEPJ-CYBMUJFWSA-N 1 0 310.825 2.294 20 10 DECDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001620817631 1076255690 /nfs/dbraw/zinc/25/56/90/1076255690.db2.gz CDHZJSBJGIHQFZ-QGPMSJSTSA-N 1 0 313.445 2.386 20 10 DECDRO COCCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001484621392 1079691251 /nfs/dbraw/zinc/69/12/51/1079691251.db2.gz YHTOIOGYDCBMKY-UHFFFAOYSA-N 1 0 320.433 2.169 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](C)N1CCOCC1 ZINC001657161337 1080161705 /nfs/dbraw/zinc/16/17/05/1080161705.db2.gz VGHMTKYDPVTXBW-SJORKVTESA-N 1 0 317.477 2.486 20 10 DECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC001658123378 1080197486 /nfs/dbraw/zinc/19/74/86/1080197486.db2.gz URUULCFCRWUPJI-ZBFHGGJFSA-N 1 0 302.418 2.364 20 10 DECDRO O=C(C[NH2+]Cc1cc(F)ccc1O)N1CCc2ccccc21 ZINC001658823650 1080217770 /nfs/dbraw/zinc/21/77/70/1080217770.db2.gz OJXRMKLVOIPKKT-UHFFFAOYSA-N 1 0 300.333 2.210 20 10 DECDRO COC(=O)N1CC(C)([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001658848841 1080220495 /nfs/dbraw/zinc/22/04/95/1080220495.db2.gz LHWYMDZEDSCWKA-AATRIKPKSA-N 1 0 303.406 2.196 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001660140866 1080276660 /nfs/dbraw/zinc/27/66/60/1080276660.db2.gz UAAIPNGJXDXSSR-KFWWJZLASA-N 1 0 322.449 2.297 20 10 DECDRO CCN1CCC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001660178916 1080282739 /nfs/dbraw/zinc/28/27/39/1080282739.db2.gz YNGAKXPLQNSZRP-PKOBYXMFSA-N 1 0 318.509 2.429 20 10 DECDRO O=C1OCCN1CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001661273203 1080465738 /nfs/dbraw/zinc/46/57/38/1080465738.db2.gz NDDHUYOZMOJMSG-UHFFFAOYSA-N 1 0 303.406 2.219 20 10 DECDRO Cc1cn(C)nc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001663422245 1080744150 /nfs/dbraw/zinc/74/41/50/1080744150.db2.gz HCVRMGKHGMGHHK-SFHVURJKSA-N 1 0 315.465 2.187 20 10 DECDRO CC[C@H](CNC(=O)C(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269361074 1081227894 /nfs/dbraw/zinc/22/78/94/1081227894.db2.gz PNMOYROGZKAUQH-GFCCVEGCSA-N 1 0 300.349 2.253 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276806177 1083622887 /nfs/dbraw/zinc/62/28/87/1083622887.db2.gz JZKAOLUBZVNYAS-GOSISDBHSA-N 1 0 320.433 2.006 20 10 DECDRO CCN(C(=O)C12CC([NH2+]Cc3ccc(O)c(O)c3)(C1)C2)C(C)C ZINC001276914778 1083677587 /nfs/dbraw/zinc/67/75/87/1083677587.db2.gz VADUBFHJQLMDTN-UHFFFAOYSA-N 1 0 318.417 2.367 20 10 DECDRO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277211400 1083848338 /nfs/dbraw/zinc/84/83/38/1083848338.db2.gz JTKHFBPXRJWDBE-QFBILLFUSA-N 1 0 313.445 2.339 20 10 DECDRO COc1ccc(O)c(C[NH2+]C23CC(C(=O)NC(C)(C)C)(C2)C3)c1 ZINC001277464415 1083984229 /nfs/dbraw/zinc/98/42/29/1083984229.db2.gz VHCAWIVOCOAZHW-UHFFFAOYSA-N 1 0 318.417 2.328 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC3(CC[C@H](C(N)=O)C3)CC2)c1 ZINC001277463527 1083985277 /nfs/dbraw/zinc/98/52/77/1083985277.db2.gz LOXWODMTEZKMNK-ZDUSSCGKSA-N 1 0 318.417 2.268 20 10 DECDRO Cc1cc(F)cc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c1O ZINC001277519276 1084013779 /nfs/dbraw/zinc/01/37/79/1084013779.db2.gz RDJIGDIIDPKEQE-UHFFFAOYSA-N 1 0 315.392 2.486 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277656493 1084078375 /nfs/dbraw/zinc/07/83/75/1084078375.db2.gz DSCUMNLSPRESCL-MAUKXSAKSA-N 1 0 318.417 2.178 20 10 DECDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC001203552257 1084090421 /nfs/dbraw/zinc/09/04/21/1084090421.db2.gz GTORJVNGHXXZMC-GOEBONIOSA-N 1 0 302.418 2.471 20 10 DECDRO CC[NH+]1CCN(c2ccc(OC3CC(C(=O)OC)C3)cc2)CC1 ZINC001234657436 1084189121 /nfs/dbraw/zinc/18/91/21/1084189121.db2.gz DBTWNVVRPOOPQZ-UHFFFAOYSA-N 1 0 318.417 2.159 20 10 DECDRO Oc1c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235062106 1084294390 /nfs/dbraw/zinc/29/43/90/1084294390.db2.gz OCCKBKITZYKJQS-HXUWFJFHSA-N 1 0 323.440 2.197 20 10 DECDRO Cc1cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)cc1Br ZINC001235171278 1084334276 /nfs/dbraw/zinc/33/42/76/1084334276.db2.gz IPRPDDLDLFBARQ-SMDDNHRTSA-N 1 0 311.223 2.386 20 10 DECDRO CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@H]2CO)cc1Cl ZINC001235440640 1084431413 /nfs/dbraw/zinc/43/14/13/1084431413.db2.gz CPMNRPFWNFWRSQ-LBPRGKRZSA-N 1 0 312.841 2.109 20 10 DECDRO CCCCN1CC[C@]2(CCCN2Cc2ccc(O)c(O)c2)C1=O ZINC001272902870 1084455166 /nfs/dbraw/zinc/45/51/66/1084455166.db2.gz IPDNEGYIFXBPBG-GOSISDBHSA-N 1 0 318.417 2.465 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001235674954 1084496034 /nfs/dbraw/zinc/49/60/34/1084496034.db2.gz JSXXCRFUMJKKLK-FUHWJXTLSA-N 1 0 307.434 2.255 20 10 DECDRO COC(=O)[C@H]1C[C@H]([NH3+])CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001235769844 1084520833 /nfs/dbraw/zinc/52/08/33/1084520833.db2.gz HXTPXFNIVGXUOK-KBPBESRZSA-N 1 0 320.433 2.012 20 10 DECDRO Cc1cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)cc1Br ZINC001235998641 1084586513 /nfs/dbraw/zinc/58/65/13/1084586513.db2.gz YIJQMNVLJRIDOK-BXUZGUMPSA-N 1 0 311.223 2.386 20 10 DECDRO Cc1cc(CN2CC[NH2+][C@@H](CCO)C2)c(C)n1-c1ccccc1 ZINC001236085749 1084609713 /nfs/dbraw/zinc/60/97/13/1084609713.db2.gz BMCQSOHYSZJRKL-SFHVURJKSA-N 1 0 313.445 2.250 20 10 DECDRO [NH3+][C@H](Cc1ccccc1)CN1CCCc2cc(O)c(O)cc2C1 ZINC001236101541 1084612848 /nfs/dbraw/zinc/61/28/48/1084612848.db2.gz VDWKXVFCMWOQKF-QGZVFWFLSA-N 1 0 312.413 2.416 20 10 DECDRO Cn1cc(CC[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000706809939 1086652483 /nfs/dbraw/zinc/65/24/83/1086652483.db2.gz SLGYHKARWDTHNL-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO CCC[NH2+]CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001273211730 1090175123 /nfs/dbraw/zinc/17/51/23/1090175123.db2.gz BRTCSHLHHQBMNN-LLVKDONJSA-N 1 0 305.382 2.357 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC23CC[NH+](C)CC3)cc1 ZINC001273527130 1091903457 /nfs/dbraw/zinc/90/34/57/1091903457.db2.gz QXSRPOXQDILOOU-MRXNPFEDSA-N 1 0 301.434 2.101 20 10 DECDRO Oc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)c(O)c1 ZINC001275952993 1092372085 /nfs/dbraw/zinc/37/20/85/1092372085.db2.gz RFIIPSZBSLBXFE-UHFFFAOYSA-N 1 0 313.401 2.134 20 10 DECDRO COc1cc(CN2CC3(CC[N@@H+]3C3CCCC3)C2)cc(O)c1O ZINC001275962472 1092379748 /nfs/dbraw/zinc/37/97/48/1092379748.db2.gz HAGUQIVUMRTKGJ-UHFFFAOYSA-N 1 0 318.417 2.309 20 10 DECDRO COCCN(Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001236326549 1138352996 /nfs/dbraw/zinc/35/29/96/1138352996.db2.gz BNRJMYALYXUWOK-GOSISDBHSA-N 1 0 317.477 2.269 20 10 DECDRO COCCN(Cc1c2ccccc2n(C)c1C)[C@@H]1CC[NH2+]C1 ZINC001236336488 1138354087 /nfs/dbraw/zinc/35/40/87/1138354087.db2.gz YDPKAOQRAGUYHR-OAHLLOKOSA-N 1 0 301.434 2.297 20 10 DECDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC001236425458 1138360725 /nfs/dbraw/zinc/36/07/25/1138360725.db2.gz WLMHJSALIDSOIN-KBPBESRZSA-N 1 0 323.868 2.359 20 10 DECDRO COCC[N@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236745061 1138406530 /nfs/dbraw/zinc/40/65/30/1138406530.db2.gz MCVRBJONYWIUNU-UHFFFAOYSA-N 1 0 304.184 2.242 20 10 DECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236750327 1138407705 /nfs/dbraw/zinc/40/77/05/1138407705.db2.gz RDNCIAWHOHYIBT-VXGBXAGGSA-N 1 0 323.389 2.183 20 10 DECDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236751818 1138407718 /nfs/dbraw/zinc/40/77/18/1138407718.db2.gz JTYQKBWTIRPTBZ-LBPRGKRZSA-N 1 0 323.389 2.185 20 10 DECDRO Oc1cc(CN2CC[C@]23CCOC3)c(O)cc1Br ZINC001236765610 1138417394 /nfs/dbraw/zinc/41/73/94/1138417394.db2.gz QDMVOJCHWCPOGM-CYBMUJFWSA-N 1 0 314.179 2.225 20 10 DECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236803978 1138433941 /nfs/dbraw/zinc/43/39/41/1138433941.db2.gz RXFIXTUZHLSTGM-JTQLQIEISA-N 1 0 313.781 2.439 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001236813041 1138437468 /nfs/dbraw/zinc/43/74/68/1138437468.db2.gz FPULYFSYQDORRR-CYBMUJFWSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001236822057 1138440263 /nfs/dbraw/zinc/44/02/63/1138440263.db2.gz XPJWYUACVSIAFD-KRWDZBQOSA-N 1 0 305.374 2.381 20 10 DECDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc2ccccc2cc1O ZINC001236836573 1138441733 /nfs/dbraw/zinc/44/17/33/1138441733.db2.gz KQNGAXKBLRNYRJ-QGZVFWFLSA-N 1 0 300.402 2.308 20 10 DECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1O ZINC001236921031 1138456782 /nfs/dbraw/zinc/45/67/82/1138456782.db2.gz CAOVPNWBRFYEFR-CXAGYDPISA-N 1 0 324.852 2.379 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001237048751 1138489943 /nfs/dbraw/zinc/48/99/43/1138489943.db2.gz WMKPODFCIMGOHD-BBRMVZONSA-N 1 0 318.417 2.234 20 10 DECDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237053372 1138490617 /nfs/dbraw/zinc/49/06/17/1138490617.db2.gz KSPVJWTXLCGOCL-DGCLKSJQSA-N 1 0 323.286 2.238 20 10 DECDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1c(O)ccc(F)c1Cl ZINC001237124126 1138508842 /nfs/dbraw/zinc/50/88/42/1138508842.db2.gz JOSCXVONMJRAQU-UHFFFAOYSA-N 1 0 317.836 2.110 20 10 DECDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C3(COC3)C2)c2ccccc21 ZINC001237176694 1138515245 /nfs/dbraw/zinc/51/52/45/1138515245.db2.gz SNNDKZLUKBWSGG-SFHVURJKSA-N 1 0 311.429 2.065 20 10 DECDRO Cc1cccc(O)c1C[NH+]1CCN(CCc2ccccn2)CC1 ZINC001237490649 1138656305 /nfs/dbraw/zinc/65/63/05/1138656305.db2.gz YPEGCRCHQREAQQ-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO CCc1n[nH]cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001237651837 1138739049 /nfs/dbraw/zinc/73/90/49/1138739049.db2.gz ZDUQZAAKKGIBMD-UHFFFAOYSA-N 1 0 314.433 2.441 20 10 DECDRO COC(=O)CC1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237668892 1138745669 /nfs/dbraw/zinc/74/56/69/1138745669.db2.gz HRXRLDCHLZUTCW-UHFFFAOYSA-N 1 0 323.389 2.185 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CO)cc1Br ZINC001237678200 1138751355 /nfs/dbraw/zinc/75/13/55/1138751355.db2.gz WVMZJSQHNCOREK-NSHDSACASA-N 1 0 300.196 2.420 20 10 DECDRO COCC1(O)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319711306 1140680051 /nfs/dbraw/zinc/68/00/51/1140680051.db2.gz IJFSTGKTJBGRLV-UHFFFAOYSA-N 1 0 304.434 2.260 20 10 DECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C(N)=O)C1 ZINC001320486234 1140870740 /nfs/dbraw/zinc/87/07/40/1140870740.db2.gz KNSPYMWIWHQUDY-YOEHRIQHSA-N 1 0 301.434 2.373 20 10 DECDRO CCOc1ccc(N2CCN([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246948791 1141168715 /nfs/dbraw/zinc/16/87/15/1141168715.db2.gz MBMAZAXSPZIYJP-QGZVFWFLSA-N 1 0 303.450 2.349 20 10 DECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC001247714479 1141453162 /nfs/dbraw/zinc/45/31/62/1141453162.db2.gz HIFZJQXTMLHGGX-CVEARBPZSA-N 1 0 324.384 2.192 20 10 DECDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ccc(O)c(O)c4)nc32)CC1 ZINC001250464843 1142214042 /nfs/dbraw/zinc/21/40/42/1142214042.db2.gz OALNRDLZSFUITG-UHFFFAOYSA-N 1 0 324.384 2.393 20 10 DECDRO Oc1ccccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1F ZINC001250873067 1142341334 /nfs/dbraw/zinc/34/13/34/1142341334.db2.gz USWUWGSRDZKMFP-ZDUSSCGKSA-N 1 0 309.312 2.200 20 10 DECDRO Nc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001336141017 1142364442 /nfs/dbraw/zinc/36/44/42/1142364442.db2.gz JRMCOJTVVCJTEV-HOTGVXAUSA-N 1 0 302.422 2.085 20 10 DECDRO CCCC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001252095705 1142638298 /nfs/dbraw/zinc/63/82/98/1142638298.db2.gz DWSPAAOTVSYXML-HNNXBMFYSA-N 1 0 322.449 2.377 20 10 DECDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337019007 1142660698 /nfs/dbraw/zinc/66/06/98/1142660698.db2.gz OUHXIOCEVKOTOH-INIZCTEOSA-N 1 0 316.449 2.142 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC001337204353 1142709328 /nfs/dbraw/zinc/70/93/28/1142709328.db2.gz FIAGHZCSPICAKI-UHFFFAOYSA-N 1 0 307.390 2.091 20 10 DECDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N)cc2)C[C@H](C)O1 ZINC001337833580 1142804204 /nfs/dbraw/zinc/80/42/04/1142804204.db2.gz CIBARZMOTAJGBQ-RVKKMQEKSA-N 1 0 303.450 2.342 20 10 DECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC001254721292 1143315136 /nfs/dbraw/zinc/31/51/36/1143315136.db2.gz OWGFEHBJEAERGF-OSAQELSMSA-N 1 0 301.390 2.306 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001340790903 1143441521 /nfs/dbraw/zinc/44/15/21/1143441521.db2.gz QLZRGSSIJLKMHS-SQNIBIBYSA-N 1 0 315.461 2.347 20 10 DECDRO CCOc1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001255495044 1143714360 /nfs/dbraw/zinc/71/43/60/1143714360.db2.gz MMAKWCZREPGLPL-QGZVFWFLSA-N 1 0 303.450 2.302 20 10 DECDRO CC[NH+](CC)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001341979559 1143758999 /nfs/dbraw/zinc/75/89/99/1143758999.db2.gz GEDZCPVCPMTRMS-VURMDHGXSA-N 1 0 318.417 2.444 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC001261763695 1144275371 /nfs/dbraw/zinc/27/53/71/1144275371.db2.gz KQIYTXRUKQJKJD-CHWSQXEVSA-N 1 0 306.406 2.358 20 10 DECDRO C[C@@H]1CCC[C@](CNC(=O)Cc2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC001291949796 1146848829 /nfs/dbraw/zinc/84/88/29/1146848829.db2.gz ZPXBIJGVNMFDEM-ACJLOTCBSA-N 1 0 320.433 2.267 20 10 DECDRO COC1(OC)CCOC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001308508199 1147476468 /nfs/dbraw/zinc/47/64/68/1147476468.db2.gz UWXPKHUVBWHKAY-OSJSJHBBSA-N 1 0 320.433 2.133 20 10 DECDRO COc1cc(C)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(O)c1 ZINC001308875789 1147488637 /nfs/dbraw/zinc/48/86/37/1147488637.db2.gz HEMWFHSWKZCTJH-SFHVURJKSA-N 1 0 323.433 2.367 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCc3cn[nH]c3)CC2)cc1 ZINC001325013378 1147866633 /nfs/dbraw/zinc/86/66/33/1147866633.db2.gz NNYFKQNEXRGVQN-UHFFFAOYSA-N 1 0 300.406 2.173 20 10 DECDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327200469 1148346795 /nfs/dbraw/zinc/34/67/95/1148346795.db2.gz PWIKOHYYVHGMGH-MRXNPFEDSA-N 1 0 323.456 2.074 20 10 DECDRO CN(Cc1ccccc1O)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000320572687 530003687 /nfs/dbraw/zinc/00/36/87/530003687.db2.gz WFBATXQTNLPHIS-UHFFFAOYSA-N 1 0 313.401 2.390 20 10 DECDRO Cc1cccc2c1N(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)CC2 ZINC000592561631 357901977 /nfs/dbraw/zinc/90/19/77/357901977.db2.gz GQTZAXZBQOMWNV-AWEZNQCLSA-N 1 0 310.401 2.231 20 10 DECDRO CCOc1ccc(O)c(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000091795589 193109704 /nfs/dbraw/zinc/10/97/04/193109704.db2.gz LVVHKLUEWKXYEY-UHFFFAOYSA-N 1 0 316.405 2.299 20 10 DECDRO Oc1cc2c(cc1CN1CC[C@H]([NH+]3CCCCC3)C1)OCO2 ZINC000264660888 285382026 /nfs/dbraw/zinc/38/20/26/285382026.db2.gz YQWPMJUETJJDFS-AWEZNQCLSA-N 1 0 304.390 2.181 20 10 DECDRO Cc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)ccc1N(C)C ZINC000293671191 533594260 /nfs/dbraw/zinc/59/42/60/533594260.db2.gz ZKIPCMBIVLSMQB-UHFFFAOYSA-N 1 0 316.449 2.051 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc2c(cc1O)CCCC2 ZINC000273592799 130141311 /nfs/dbraw/zinc/14/13/11/130141311.db2.gz PQUNOARZOKNHJA-WMLDXEAASA-N 1 0 317.477 2.167 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)c1 ZINC000273598760 130142454 /nfs/dbraw/zinc/14/24/54/130142454.db2.gz ROVAIKPSJGADPG-MLGOLLRUSA-N 1 0 310.463 2.489 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1F ZINC000275122531 130293463 /nfs/dbraw/zinc/29/34/63/130293463.db2.gz HSFGQOJCVDGWFT-UHFFFAOYSA-N 1 0 317.412 2.395 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000285477122 131172482 /nfs/dbraw/zinc/17/24/82/131172482.db2.gz LDURODZQZCCSNC-UHFFFAOYSA-N 1 0 317.838 2.493 20 10 DECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000289079347 131356865 /nfs/dbraw/zinc/35/68/65/131356865.db2.gz OAHQUZALSWOWCS-JSGCOSHPSA-N 1 0 304.390 2.180 20 10 DECDRO C[N@H+](Cc1ccccc1O)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351824 131376795 /nfs/dbraw/zinc/37/67/95/131376795.db2.gz LCLZOAHSFYLASM-QGZVFWFLSA-N 1 0 324.421 2.100 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(OC)n1 ZINC000289465963 131389166 /nfs/dbraw/zinc/38/91/66/131389166.db2.gz CXPNTRAIHFWNLN-UHFFFAOYSA-N 1 0 300.358 2.324 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1cccc(C)c1 ZINC000295154530 131887274 /nfs/dbraw/zinc/88/72/74/131887274.db2.gz CYPFASSTVVGXGY-PIIMJCKOSA-N 1 0 309.413 2.350 20 10 DECDRO C[C@H]1SCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000299392012 132103495 /nfs/dbraw/zinc/10/34/95/132103495.db2.gz UGSDBNAMSZEEJJ-UONOGXRCSA-N 1 0 321.490 2.195 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NCc1ccco1 ZINC000113341283 401776844 /nfs/dbraw/zinc/77/68/44/401776844.db2.gz MJCVJXSZBOUJBZ-GFCCVEGCSA-N 1 0 319.380 2.279 20 10 DECDRO CCC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC000076074332 401781259 /nfs/dbraw/zinc/78/12/59/401781259.db2.gz TXUVHOCGXWUIAC-HUUCEWRRSA-N 1 0 320.433 2.240 20 10 DECDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551031 401824167 /nfs/dbraw/zinc/82/41/67/401824167.db2.gz KDBVEZHTCSOXNT-DZGCQCFKSA-N 1 0 308.397 2.492 20 10 DECDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000078640216 401859891 /nfs/dbraw/zinc/85/98/91/401859891.db2.gz ZOXQQJGIMCLBHR-CQSZACIVSA-N 1 0 310.463 2.200 20 10 DECDRO Cc1ccc(O)c(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000093837872 402020997 /nfs/dbraw/zinc/02/09/97/402020997.db2.gz MRILLXOQCVYFBG-UHFFFAOYSA-N 1 0 324.380 2.429 20 10 DECDRO CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1ccccc1O ZINC000155166117 402247394 /nfs/dbraw/zinc/24/73/94/402247394.db2.gz YHVBNEMFFXYJSZ-CQSZACIVSA-N 1 0 314.451 2.105 20 10 DECDRO Cc1noc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000068966713 402210151 /nfs/dbraw/zinc/21/01/51/402210151.db2.gz ABHVXYHNBYNQIN-UHFFFAOYSA-N 1 0 317.345 2.192 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1F ZINC000109022430 402266714 /nfs/dbraw/zinc/26/67/14/402266714.db2.gz WQJXTPUOFJRIBP-INIZCTEOSA-N 1 0 307.413 2.382 20 10 DECDRO CC(C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N1CCCC1 ZINC000236688754 402374311 /nfs/dbraw/zinc/37/43/11/402374311.db2.gz ATEWFJJLPAHYAW-AWEZNQCLSA-N 1 0 306.406 2.331 20 10 DECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000185785583 402377039 /nfs/dbraw/zinc/37/70/39/402377039.db2.gz LQJCDAACNPNLFA-CYBMUJFWSA-N 1 0 308.378 2.111 20 10 DECDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000166063892 402481114 /nfs/dbraw/zinc/48/11/14/402481114.db2.gz XOPFCHDYZKATMY-AWEZNQCLSA-N 1 0 303.450 2.438 20 10 DECDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710576 402529154 /nfs/dbraw/zinc/52/91/54/402529154.db2.gz DCSIHYQNVVVFKZ-IBGZPJMESA-N 1 0 323.440 2.473 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179343877 402586410 /nfs/dbraw/zinc/58/64/10/402586410.db2.gz BOQOSHFDKDLMBS-OAHLLOKOSA-N 1 0 302.418 2.439 20 10 DECDRO CCCC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179567628 402595425 /nfs/dbraw/zinc/59/54/25/402595425.db2.gz AHKVRRTZLNFRAH-OAHLLOKOSA-N 1 0 311.447 2.490 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCOCC1 ZINC000171859153 402629336 /nfs/dbraw/zinc/62/93/36/402629336.db2.gz SEQAAAJZELQBPG-UHFFFAOYSA-N 1 0 304.434 2.382 20 10 DECDRO COc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1O ZINC000263944111 402823242 /nfs/dbraw/zinc/82/32/42/402823242.db2.gz SSYGITFSJBSBDD-UHFFFAOYSA-N 1 0 315.295 2.449 20 10 DECDRO CC[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000184156099 402823307 /nfs/dbraw/zinc/82/33/07/402823307.db2.gz FYCOIWWQEBPJFE-SFHVURJKSA-N 1 0 301.434 2.435 20 10 DECDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278183052 402861895 /nfs/dbraw/zinc/86/18/95/402861895.db2.gz BPFBOIPOEQPBFY-KBPBESRZSA-N 1 0 300.406 2.445 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1F ZINC000278508581 402867122 /nfs/dbraw/zinc/86/71/22/402867122.db2.gz PJBICTHGTSZVNK-KRWDZBQOSA-N 1 0 310.413 2.303 20 10 DECDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C)cc1O ZINC000280089868 402967161 /nfs/dbraw/zinc/96/71/61/402967161.db2.gz MHKVRCVOHCFWMN-CQSZACIVSA-N 1 0 306.406 2.023 20 10 DECDRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280860299 403044163 /nfs/dbraw/zinc/04/41/63/403044163.db2.gz NFKCOECIJNHTLT-NUJGCVRESA-N 1 0 306.450 2.438 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000268232438 403064797 /nfs/dbraw/zinc/06/47/97/403064797.db2.gz LTXPZNHWNDBXIW-CQSZACIVSA-N 1 0 305.422 2.169 20 10 DECDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268858136 403120143 /nfs/dbraw/zinc/12/01/43/403120143.db2.gz RJGHXROXSSEKNY-HNNXBMFYSA-N 1 0 305.466 2.250 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282659632 403157887 /nfs/dbraw/zinc/15/78/87/403157887.db2.gz IOMUAPUNQSTFDH-YOEHRIQHSA-N 1 0 305.418 2.358 20 10 DECDRO CC(=O)NCC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292947564 403383962 /nfs/dbraw/zinc/38/39/62/403383962.db2.gz BIJCJXJADRKXNV-UHFFFAOYSA-N 1 0 303.450 2.409 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000292956970 403384120 /nfs/dbraw/zinc/38/41/20/403384120.db2.gz JCBXSDZNDGACKQ-OAHLLOKOSA-N 1 0 314.385 2.497 20 10 DECDRO COCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCOCC1 ZINC000293707360 403542833 /nfs/dbraw/zinc/54/28/33/403542833.db2.gz OTNSWFWLWHTUCV-ZDUSSCGKSA-N 1 0 309.406 2.495 20 10 DECDRO COCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCOCC1 ZINC000293707345 403542922 /nfs/dbraw/zinc/54/29/22/403542922.db2.gz OTNSWFWLWHTUCV-CYBMUJFWSA-N 1 0 309.406 2.495 20 10 DECDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294076026 403641692 /nfs/dbraw/zinc/64/16/92/403641692.db2.gz LIYGYDGXDRNPKQ-NVXWUHKLSA-N 1 0 301.434 2.278 20 10 DECDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000294754844 403729406 /nfs/dbraw/zinc/72/94/06/403729406.db2.gz IOBCPHGVMQPYQR-HNNXBMFYSA-N 1 0 315.369 2.468 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000294853339 403736259 /nfs/dbraw/zinc/73/62/59/403736259.db2.gz SHKMXGYAFYMFBR-CQSZACIVSA-N 1 0 308.378 2.063 20 10 DECDRO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C)c1O ZINC000362037447 403919554 /nfs/dbraw/zinc/91/95/54/403919554.db2.gz IGDRNEKJLBANOF-KRWDZBQOSA-N 1 0 310.397 2.374 20 10 DECDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000295864831 404017271 /nfs/dbraw/zinc/01/72/71/404017271.db2.gz OPONDVWQCGIYLS-GFCCVEGCSA-N 1 0 322.380 2.327 20 10 DECDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000296164554 404123411 /nfs/dbraw/zinc/12/34/11/404123411.db2.gz XKJMEBRMVJWYEF-IIAWOOMASA-N 1 0 304.434 2.468 20 10 DECDRO COc1cc(O)c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1OC ZINC000296214993 404148211 /nfs/dbraw/zinc/14/82/11/404148211.db2.gz ZZESFQGHKYNSRN-CYBMUJFWSA-N 1 0 320.433 2.326 20 10 DECDRO Cc1cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)ccc1N(C)C ZINC000296534372 404294094 /nfs/dbraw/zinc/29/40/94/404294094.db2.gz BCVRGZYMAKCRSD-HNNXBMFYSA-N 1 0 305.422 2.334 20 10 DECDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296862091 404346312 /nfs/dbraw/zinc/34/63/12/404346312.db2.gz NPNRKHBEIBZPCC-JZXOWHBKSA-N 1 0 313.397 2.454 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCOC[C@H]2CCOC)c(O)c1 ZINC000291146248 404375930 /nfs/dbraw/zinc/37/59/30/404375930.db2.gz YWAVHERWSMISMT-OAHLLOKOSA-N 1 0 309.406 2.418 20 10 DECDRO CC(C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](C)[NH3+] ZINC000567052037 406093171 /nfs/dbraw/zinc/09/31/71/406093171.db2.gz KRONGJODHGSEMA-LRDDRELGSA-N 1 0 305.422 2.097 20 10 DECDRO COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C[NH3+])ccc21 ZINC000653049068 425388645 /nfs/dbraw/zinc/38/86/45/425388645.db2.gz QKHVBNJYDPBMSK-UHFFFAOYSA-N 1 0 317.433 2.372 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289224626 276380177 /nfs/dbraw/zinc/38/01/77/276380177.db2.gz CSJPAKMEABKPIC-GDBMZVCRSA-N 1 0 320.433 2.086 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001357427098 1152297053 /nfs/dbraw/zinc/29/70/53/1152297053.db2.gz ARTQXAWRNGPCAF-HNNXBMFYSA-N 1 0 305.422 2.242 20 10 DECDRO [NH3+]C1CC(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC001357486250 1152302947 /nfs/dbraw/zinc/30/29/47/1152302947.db2.gz LCYMWHCKMCNNMA-BCLQGDPASA-N 1 0 318.417 2.027 20 10 DECDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000181007204 519708567 /nfs/dbraw/zinc/70/85/67/519708567.db2.gz BEQDIWXPAUOKJL-VIFPVBQESA-N 1 0 315.211 2.330 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180329454 521337935 /nfs/dbraw/zinc/33/79/35/521337935.db2.gz RDBZQEXZUZURBX-UHFFFAOYSA-N 1 0 320.433 2.481 20 10 DECDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(F)ccc2O)n1 ZINC000191512468 521589545 /nfs/dbraw/zinc/58/95/45/521589545.db2.gz MGGXRKCWRNFZQH-UHFFFAOYSA-N 1 0 324.377 2.497 20 10 DECDRO COc1cc(O)c(C[N@H+](C)CCCn2ccnc2)cc1OC ZINC000160447792 522771059 /nfs/dbraw/zinc/77/10/59/522771059.db2.gz RJGGKXOHLQOAGM-UHFFFAOYSA-N 1 0 305.378 2.128 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1OC ZINC000182405063 522782862 /nfs/dbraw/zinc/78/28/62/522782862.db2.gz VAFLHKVWCWGEBB-MRXNPFEDSA-N 1 0 323.414 2.468 20 10 DECDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000157912412 524129822 /nfs/dbraw/zinc/12/98/22/524129822.db2.gz UMLXENBMPBJYDR-GOEBONIOSA-N 1 0 312.417 2.346 20 10 DECDRO Cc1cccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1O ZINC000180548106 524374558 /nfs/dbraw/zinc/37/45/58/524374558.db2.gz LLHIEPYMOQBFOY-UHFFFAOYSA-N 1 0 306.450 2.491 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1O ZINC000271164256 526036442 /nfs/dbraw/zinc/03/64/42/526036442.db2.gz AXGOLQYCJAACIY-HNNXBMFYSA-N 1 0 305.349 2.233 20 10 DECDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181113503 527613992 /nfs/dbraw/zinc/61/39/92/527613992.db2.gz FCXKATVGRGOFHC-DRDHIDPGSA-N 1 0 316.401 2.055 20 10 DECDRO CC[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000262446045 528419546 /nfs/dbraw/zinc/41/95/46/528419546.db2.gz IQWBXTJDZFWQRM-GFCCVEGCSA-N 1 0 300.406 2.217 20 10 DECDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(O)c(O)c1 ZINC000272360207 536052854 /nfs/dbraw/zinc/05/28/54/536052854.db2.gz SAFLZZBGIMFECF-UHFFFAOYSA-N 1 0 306.387 2.151 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)C2CCOCC2)cc1 ZINC000835044649 649870805 /nfs/dbraw/zinc/87/08/05/649870805.db2.gz CXSJWKDVDITZAH-ONEGZZNKSA-N 1 0 304.434 2.239 20 10 DECDRO c1cn(C[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001327803909 1148648757 /nfs/dbraw/zinc/64/87/57/1148648757.db2.gz MJZVDKUOCDVTJO-QGZVFWFLSA-N 1 0 311.433 2.400 20 10 DECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330534156 1149181608 /nfs/dbraw/zinc/18/16/08/1149181608.db2.gz VXHBOAIIJLCEKL-WMZOPIPTSA-N 1 0 304.434 2.428 20 10 DECDRO CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001024282644 625687380 /nfs/dbraw/zinc/68/73/80/625687380.db2.gz QIPOGIYSNNQNPL-LBPRGKRZSA-N 1 0 317.393 2.311 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1OC ZINC000892919373 625715679 /nfs/dbraw/zinc/71/56/79/625715679.db2.gz LTRHFXLJVGDFIF-OAHLLOKOSA-N 1 0 317.385 2.103 20 10 DECDRO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1OC ZINC000892100869 624782391 /nfs/dbraw/zinc/78/23/91/624782391.db2.gz JTBDXEFTSWSOGS-KGLIPLIRSA-N 1 0 306.406 2.078 20 10 DECDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C[C@H]1C ZINC000947497064 624863600 /nfs/dbraw/zinc/86/36/00/624863600.db2.gz GNEVAPLEYOKTKJ-TZMCWYRMSA-N 1 0 321.421 2.092 20 10 DECDRO C[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000893044079 625074570 /nfs/dbraw/zinc/07/45/70/625074570.db2.gz CWUYQCMLRNWSFG-WDEREUQCSA-N 1 0 320.505 2.038 20 10 DECDRO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1O ZINC000892585674 625171110 /nfs/dbraw/zinc/17/11/10/625171110.db2.gz YWGRUVCJSSWOIW-FQUUOJAGSA-N 1 0 303.406 2.283 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840878676 625801624 /nfs/dbraw/zinc/80/16/24/625801624.db2.gz IYIDODIJGGNUCM-CYBMUJFWSA-N 1 0 310.463 2.371 20 10 DECDRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(F)cc2)c1O ZINC000725846444 632930345 /nfs/dbraw/zinc/93/03/45/632930345.db2.gz IQCYXZINSSTEGV-UHFFFAOYSA-N 1 0 318.348 2.060 20 10 DECDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c(O)c1OC ZINC000893409494 633510640 /nfs/dbraw/zinc/51/06/40/633510640.db2.gz RSPREDCOVPJCRF-GXTWGEPZSA-N 1 0 309.406 2.392 20 10 DECDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000893421725 633537790 /nfs/dbraw/zinc/53/77/90/633537790.db2.gz UUVURNVYUUJGMB-NSHDSACASA-N 1 0 323.389 2.183 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CSC)C2)cc1C ZINC000998469921 634284348 /nfs/dbraw/zinc/28/43/48/634284348.db2.gz LLTLJZOKDUFXPA-HNNXBMFYSA-N 1 0 322.474 2.447 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)OC)C2)cc1C ZINC000998678876 634373008 /nfs/dbraw/zinc/37/30/08/634373008.db2.gz RSAPRPFKFYOZLN-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C4CC4)CC3)cc2)CC1 ZINC000893607620 635030238 /nfs/dbraw/zinc/03/02/38/635030238.db2.gz IOLRJFWZXRTNHO-UHFFFAOYSA-N 1 0 313.445 2.245 20 10 DECDRO CC[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980819030 635165822 /nfs/dbraw/zinc/16/58/22/635165822.db2.gz OFUNFJDJXBGKCU-NEPJUHHUSA-N 1 0 317.393 2.309 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000893626731 635289422 /nfs/dbraw/zinc/28/94/22/635289422.db2.gz UXJRRRDYCDYBMT-YGRLFVJLSA-N 1 0 323.824 2.328 20 10 DECDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc2ccccc2c1O ZINC000186511201 635845864 /nfs/dbraw/zinc/84/58/64/635845864.db2.gz UHLQKIRJEMDLER-LBPRGKRZSA-N 1 0 324.384 2.349 20 10 DECDRO COc1ccc(CN(C)CC2([NH+](C)C)CCC2)c(O)c1OC ZINC000893890729 636061309 /nfs/dbraw/zinc/06/13/09/636061309.db2.gz NRCOYMPCUPVTBN-UHFFFAOYSA-N 1 0 308.422 2.326 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340240 636139902 /nfs/dbraw/zinc/13/99/02/636139902.db2.gz MHWQFJQAKRNGDU-ZDUSSCGKSA-N 1 0 303.366 2.063 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000922523883 636217309 /nfs/dbraw/zinc/21/73/09/636217309.db2.gz GJZJXQUHMFOYGJ-IAGOWNOFSA-N 1 0 305.491 2.422 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000922523884 636217694 /nfs/dbraw/zinc/21/76/94/636217694.db2.gz GJZJXQUHMFOYGJ-IRXDYDNUSA-N 1 0 305.491 2.422 20 10 DECDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(F)c1 ZINC000922563625 636240809 /nfs/dbraw/zinc/24/08/09/636240809.db2.gz JFNZCRNYBVFFTQ-KRWDZBQOSA-N 1 0 319.332 2.257 20 10 DECDRO CCO[C@@H](CNCc1c(O)cc(C)cc1Cl)C[NH+](C)C ZINC000922756950 636379558 /nfs/dbraw/zinc/37/95/58/636379558.db2.gz VJCKMVVWZIEAGF-LBPRGKRZSA-N 1 0 300.830 2.410 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC[C@H]1O)OCO2 ZINC000922987046 636898832 /nfs/dbraw/zinc/89/88/32/636898832.db2.gz AYSYXQITRSBDDM-KDOFPFPSSA-N 1 0 313.353 2.259 20 10 DECDRO COc1cc(C)cc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000894741509 637191545 /nfs/dbraw/zinc/19/15/45/637191545.db2.gz UWHBDUOEDWPOPQ-AWEZNQCLSA-N 1 0 304.394 2.325 20 10 DECDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1(F)F ZINC000894782149 637209489 /nfs/dbraw/zinc/20/94/89/637209489.db2.gz JPBDJEMSDBHUQY-WLTAIBSBSA-N 1 0 315.316 2.106 20 10 DECDRO Cn1nccc1[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000839179030 637811746 /nfs/dbraw/zinc/81/17/46/637811746.db2.gz 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638211931 /nfs/dbraw/zinc/21/19/31/638211931.db2.gz SSSYRSRSUVUYLA-XJKSGUPXSA-N 1 0 301.434 2.134 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1 ZINC000895818029 638214805 /nfs/dbraw/zinc/21/48/05/638214805.db2.gz AUMVWORYYLCXMZ-ISTRZQFTSA-N 1 0 307.390 2.217 20 10 DECDRO Oc1cc2c(cc1C[NH2+]CC1(C3(O)CCC3)CCC1)OCO2 ZINC000895870731 638237963 /nfs/dbraw/zinc/23/79/63/638237963.db2.gz UDVLZBWYFMEEGP-UHFFFAOYSA-N 1 0 305.374 2.296 20 10 DECDRO Cc1cn(C(C)(C)C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000895980174 638294793 /nfs/dbraw/zinc/29/47/93/638294793.db2.gz DDYFVBNFDKQTER-UHFFFAOYSA-N 1 0 318.396 2.448 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000895980184 638294876 /nfs/dbraw/zinc/29/48/76/638294876.db2.gz DHQJCZIPCSIYMZ-OAHLLOKOSA-N 1 0 307.413 2.381 20 10 DECDRO CCCCNC(=O)NC(=O)C[N@H+](CCC)Cc1ccccc1O ZINC000727831045 638407162 /nfs/dbraw/zinc/40/71/62/638407162.db2.gz DZFMCAGXDGHIRE-UHFFFAOYSA-N 1 0 321.421 2.230 20 10 DECDRO 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Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000237518268 642732651 /nfs/dbraw/zinc/73/26/51/642732651.db2.gz XTCSCERBRMAMKV-WFASDCNBSA-N 1 0 312.417 2.441 20 10 DECDRO CCn1cnc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000902092581 642915136 /nfs/dbraw/zinc/91/51/36/642915136.db2.gz GUHNMJOGPJGZPM-UHFFFAOYSA-N 1 0 300.406 2.029 20 10 DECDRO COc1ccc2c(c1)CCCN2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718326 643437707 /nfs/dbraw/zinc/43/77/07/643437707.db2.gz KSAUBHROQLNDIQ-FUHWJXTLSA-N 1 0 302.418 2.216 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1F ZINC000788534679 643621617 /nfs/dbraw/zinc/62/16/17/643621617.db2.gz IBZWWDHGVGSNMA-GUYCJALGSA-N 1 0 310.413 2.301 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@H](O)C(F)(F)F)ccc1OC ZINC000788974580 643667541 /nfs/dbraw/zinc/66/75/41/643667541.db2.gz HTIYTIYBQMYZPP-ZDUSSCGKSA-N 1 0 307.312 2.245 20 10 DECDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(F)F ZINC000905051379 643771915 /nfs/dbraw/zinc/77/19/15/643771915.db2.gz CEKJYIPDIQANQM-OAHLLOKOSA-N 1 0 316.417 2.346 20 10 DECDRO CCC[C@@](C)([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000789898724 643787233 /nfs/dbraw/zinc/78/72/33/643787233.db2.gz ZBGXIEMBOHSAKN-GOSISDBHSA-N 1 0 319.449 2.171 20 10 DECDRO COc1c(O)c(CN2CCCC[C@@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843045062 650875771 /nfs/dbraw/zinc/87/57/71/650875771.db2.gz HHGTUXKWSPHEMJ-CMPLNLGQSA-N 1 0 309.366 2.011 20 10 DECDRO CCn1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000790450983 643854444 /nfs/dbraw/zinc/85/44/44/643854444.db2.gz LFOXOHFZMZAJFC-INIZCTEOSA-N 1 0 302.374 2.271 20 10 DECDRO COCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000790651379 643878978 /nfs/dbraw/zinc/87/89/78/643878978.db2.gz ALYQVKVVIKDJPP-UHFFFAOYSA-N 1 0 308.397 2.321 20 10 DECDRO CN(Cc1ccc(N)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000843071115 650884612 /nfs/dbraw/zinc/88/46/12/650884612.db2.gz YXXJGFFIHFFLFM-UHFFFAOYSA-N 1 0 300.406 2.241 20 10 DECDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)c(O)c1 ZINC000843120619 650900411 /nfs/dbraw/zinc/90/04/11/650900411.db2.gz RRQCCFDECLATBA-KRWDZBQOSA-N 1 0 313.401 2.332 20 10 DECDRO CS(=O)(=O)CC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000793724355 644292407 /nfs/dbraw/zinc/29/24/07/644292407.db2.gz CNGMOUOBIUVTFZ-UHFFFAOYSA-N 1 0 323.458 2.138 20 10 DECDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(O)c1 ZINC000794377772 644405778 /nfs/dbraw/zinc/40/57/78/644405778.db2.gz KDYOFONNWKDYMP-MRXNPFEDSA-N 1 0 318.417 2.424 20 10 DECDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000794658637 644455367 /nfs/dbraw/zinc/45/53/67/644455367.db2.gz CKRHVYJMWDHGNY-UGSOOPFHSA-N 1 0 314.385 2.320 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000794710595 644464607 /nfs/dbraw/zinc/46/46/07/644464607.db2.gz ZBTHTZREMLDGPI-DYVFJYSZSA-N 1 0 307.390 2.089 20 10 DECDRO C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000794830314 644481664 /nfs/dbraw/zinc/48/16/64/644481664.db2.gz WQBKWPHSQVBPIE-GXSJLCMTSA-N 1 0 313.394 2.246 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(O)cc1C ZINC000795638927 644609470 /nfs/dbraw/zinc/60/94/70/644609470.db2.gz PTVMYMAVSBRMNR-QGZVFWFLSA-N 1 0 307.390 2.091 20 10 DECDRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)ccc1O ZINC000795844939 644646281 /nfs/dbraw/zinc/64/62/81/644646281.db2.gz MVPVZVDDZVRVRK-JTQLQIEISA-N 1 0 306.740 2.468 20 10 DECDRO COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c(O)c1 ZINC000907924914 644690993 /nfs/dbraw/zinc/69/09/93/644690993.db2.gz AVYOXEAOJJIVMB-HIFRSBDPSA-N 1 0 304.390 2.034 20 10 DECDRO Cc1cccnc1/C=C\C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298032 650944529 /nfs/dbraw/zinc/94/45/29/650944529.db2.gz LNQIGLYUBJRXTN-QXPKXGMISA-N 1 0 324.428 2.285 20 10 DECDRO C[C@@H](C(=O)NC1CCCC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350437 650954793 /nfs/dbraw/zinc/95/47/93/650954793.db2.gz QYEAJBNLFDTNIH-ZDUSSCGKSA-N 1 0 301.434 2.345 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000797068850 644832834 /nfs/dbraw/zinc/83/28/34/644832834.db2.gz HCOFKLDTKUJNMX-QWHCGFSZSA-N 1 0 310.463 2.369 20 10 DECDRO CCCC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccccc1O ZINC000801595139 645421161 /nfs/dbraw/zinc/42/11/61/645421161.db2.gz WCSCYGZFLFYZDR-OAHLLOKOSA-N 1 0 320.433 2.242 20 10 DECDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(O)cc2O)o1 ZINC000910953789 645593543 /nfs/dbraw/zinc/59/35/43/645593543.db2.gz DXJVFSZQPWILFG-UHFFFAOYSA-N 1 0 318.373 2.463 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000808430266 646084100 /nfs/dbraw/zinc/08/41/00/646084100.db2.gz DTSJFRBCLRHNRO-HNNXBMFYSA-N 1 0 302.374 2.052 20 10 DECDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840178258 646230385 /nfs/dbraw/zinc/23/03/85/646230385.db2.gz NRPXTZBDUXRDJA-GFCCVEGCSA-N 1 0 320.433 2.305 20 10 DECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000840185845 646288694 /nfs/dbraw/zinc/28/86/94/646288694.db2.gz IMJYRBYIHPVCTF-AWEZNQCLSA-N 1 0 309.431 2.347 20 10 DECDRO COCCN1[C@H](C)C[N@@H+](Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000164600144 646453034 /nfs/dbraw/zinc/45/30/34/646453034.db2.gz GCNXARHHJXSRCJ-GASCZTMLSA-N 1 0 322.449 2.250 20 10 DECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000227681087 646605039 /nfs/dbraw/zinc/60/50/39/646605039.db2.gz INDFBEGJXICYAZ-SNVBAGLBSA-N 1 0 324.377 2.124 20 10 DECDRO COc1cccc(C[NH2+]CCN(C)C(=O)OC(C)(C)C)c1O ZINC000227760425 646606318 /nfs/dbraw/zinc/60/63/18/646606318.db2.gz WFBWUTRHVAWIPG-UHFFFAOYSA-N 1 0 310.394 2.357 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000753568413 646627653 /nfs/dbraw/zinc/62/76/53/646627653.db2.gz PWEMFGXSASLZNH-ZDUSSCGKSA-N 1 0 317.838 2.411 20 10 DECDRO COc1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)c(O)c1 ZINC000814298389 646870631 /nfs/dbraw/zinc/87/06/31/646870631.db2.gz SOPKTICHKJKAEU-UHFFFAOYSA-N 1 0 310.357 2.271 20 10 DECDRO Cc1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1N(C)C ZINC000815037897 646958567 /nfs/dbraw/zinc/95/85/67/646958567.db2.gz YUOPLAZQXIKCSY-RBUKOAKNSA-N 1 0 317.477 2.092 20 10 DECDRO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)c(C)n1-c1ccccn1 ZINC000913627492 646979636 /nfs/dbraw/zinc/97/96/36/646979636.db2.gz MUBKPMDYEXCKCH-UHFFFAOYSA-N 1 0 310.401 2.067 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1n1cccn1 ZINC000815167184 646982627 /nfs/dbraw/zinc/98/26/27/646982627.db2.gz TYZLNDHIWURDKY-FVQBIDKESA-N 1 0 317.389 2.106 20 10 DECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1 ZINC000815601573 647034679 /nfs/dbraw/zinc/03/46/79/647034679.db2.gz ZDFQAKRIQZPFJE-DZKIICNBSA-N 1 0 320.433 2.295 20 10 DECDRO CC(C)C[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000913990244 647120614 /nfs/dbraw/zinc/12/06/14/647120614.db2.gz DMKATMUJXBRJEA-UHFFFAOYSA-N 1 0 323.412 2.451 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000152377426 647147729 /nfs/dbraw/zinc/14/77/29/647147729.db2.gz FTRDRGIWIOAOJY-NWDGAFQWSA-N 1 0 324.446 2.015 20 10 DECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816595367 647157288 /nfs/dbraw/zinc/15/72/88/647157288.db2.gz LGABICOARPXKPH-UHFFFAOYSA-N 1 0 305.399 2.212 20 10 DECDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1O ZINC000816610692 647157864 /nfs/dbraw/zinc/15/78/64/647157864.db2.gz UWIVUEAADUSDNJ-UHFFFAOYSA-N 1 0 314.341 2.136 20 10 DECDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C12CCCC2 ZINC000816630790 647161152 /nfs/dbraw/zinc/16/11/52/647161152.db2.gz RUBZQASBDIFNCX-SFHVURJKSA-N 1 0 316.445 2.403 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000816656855 647163487 /nfs/dbraw/zinc/16/34/87/647163487.db2.gz FLEKXBRXSAFMCZ-GOSISDBHSA-N 1 0 318.461 2.410 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000816667607 647166244 /nfs/dbraw/zinc/16/62/44/647166244.db2.gz RHCCPARQVMSYIR-MSOLQXFVSA-N 1 0 322.424 2.301 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1n1cccn1 ZINC000816673040 647167092 /nfs/dbraw/zinc/16/70/92/647167092.db2.gz QDICTEXSAOYTHF-DJIMGWMZSA-N 1 0 317.389 2.106 20 10 DECDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1c(O)cccc1F ZINC000914182825 647207724 /nfs/dbraw/zinc/20/77/24/647207724.db2.gz CHLBHUUAWRYNOD-GFCCVEGCSA-N 1 0 311.401 2.307 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817778978 647360131 /nfs/dbraw/zinc/36/01/31/647360131.db2.gz XDJVOWSGERYVRK-KRWDZBQOSA-N 1 0 318.465 2.297 20 10 DECDRO [O-]c1c(Br)cccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865080 647368312 /nfs/dbraw/zinc/36/83/12/647368312.db2.gz GFVGMLZKVDLQLX-UHFFFAOYSA-N 1 0 311.223 2.483 20 10 DECDRO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000817892837 647373848 /nfs/dbraw/zinc/37/38/48/647373848.db2.gz WERZZUVMYDRIFX-IIDMSEBBSA-N 1 0 303.450 2.314 20 10 DECDRO C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817895830 647375091 /nfs/dbraw/zinc/37/50/91/647375091.db2.gz WTUVTEMEOXWDNJ-DNVCBOLYSA-N 1 0 317.477 2.125 20 10 DECDRO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817944448 647389910 /nfs/dbraw/zinc/38/99/10/647389910.db2.gz CMFRWHDYHYPHPS-JTQLQIEISA-N 1 0 318.248 2.255 20 10 DECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817959184 647393337 /nfs/dbraw/zinc/39/33/37/647393337.db2.gz COXGWTBXOXLETI-WHOFXGATSA-N 1 0 306.406 2.347 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC(O)CC3)C2)cc1 ZINC000818341612 647456912 /nfs/dbraw/zinc/45/69/12/647456912.db2.gz BRUCLTAQMOWANE-UQPPLGOBSA-N 1 0 304.434 2.415 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)ccc1O ZINC000818360554 647458253 /nfs/dbraw/zinc/45/82/53/647458253.db2.gz AWHFMLKSRPEWPU-NEPJUHHUSA-N 1 0 310.781 2.234 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC000818941758 647545365 /nfs/dbraw/zinc/54/53/65/647545365.db2.gz QCYYFOMTFKGENU-MRXNPFEDSA-N 1 0 318.392 2.421 20 10 DECDRO CC(C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732229503 647552185 /nfs/dbraw/zinc/55/21/85/647552185.db2.gz BXZCKUZTZMCYEL-UHFFFAOYSA-N 1 0 307.394 2.446 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)N(C)OC)cc1F ZINC000819044426 647570776 /nfs/dbraw/zinc/57/07/76/647570776.db2.gz ZCOSRZPGWKYIGB-UHFFFAOYSA-N 1 0 311.401 2.171 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000821807101 648112500 /nfs/dbraw/zinc/11/25/00/648112500.db2.gz MSBKZNMZQPMQEI-LBPRGKRZSA-N 1 0 308.422 2.123 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@@H](OC)C3CC3)CC2)cc1F ZINC000822682021 648260709 /nfs/dbraw/zinc/26/07/09/648260709.db2.gz SXEFMKQFSVVPBV-QGZVFWFLSA-N 1 0 308.397 2.381 20 10 DECDRO CCOC(=O)CN(CC[C@H]1CCCO1)Cc1ccccc1O ZINC000823576505 648445581 /nfs/dbraw/zinc/44/55/81/648445581.db2.gz QQDODOALWYQQBU-OAHLLOKOSA-N 1 0 307.390 2.326 20 10 DECDRO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000824400905 648581646 /nfs/dbraw/zinc/58/16/46/648581646.db2.gz HIYXGPFJVBWXGV-CYBMUJFWSA-N 1 0 303.366 2.015 20 10 DECDRO FCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000824794199 648653270 /nfs/dbraw/zinc/65/32/70/648653270.db2.gz AMUXKNIZRURCCC-UHFFFAOYSA-N 1 0 322.424 2.379 20 10 DECDRO Cc1cc(O)c(CN(C)[C@@H](C)CS(C)(=O)=O)cc1Cl ZINC000824809686 648655452 /nfs/dbraw/zinc/65/54/52/648655452.db2.gz YRNWPJLUGUHIIN-JTQLQIEISA-N 1 0 305.827 2.219 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1 ZINC000825278317 648735017 /nfs/dbraw/zinc/73/50/17/648735017.db2.gz BMVJTMYYTGOCSG-AWEZNQCLSA-N 1 0 321.421 2.027 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825280219 648735351 /nfs/dbraw/zinc/73/53/51/648735351.db2.gz YXNVBYBKUUYDHM-AWEZNQCLSA-N 1 0 321.421 2.027 20 10 DECDRO CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000939833785 648737691 /nfs/dbraw/zinc/73/76/91/648737691.db2.gz YWDBMHNNACXKKC-BXUZGUMPSA-N 1 0 317.393 2.309 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](CCO)C[C@@H]2C)cc1F ZINC000825338873 648744793 /nfs/dbraw/zinc/74/47/93/648744793.db2.gz WODDGTSXBMDKNF-HNNXBMFYSA-N 1 0 323.456 2.170 20 10 DECDRO Cc1cc(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825520187 648774870 /nfs/dbraw/zinc/77/48/70/648774870.db2.gz VSBFEQGAQUUDPS-GFCCVEGCSA-N 1 0 317.838 2.363 20 10 DECDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000825763694 648809991 /nfs/dbraw/zinc/80/99/91/648809991.db2.gz BNNJXKGMBJJJRI-QWRGUYRKSA-N 1 0 310.369 2.230 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000826852252 648937200 /nfs/dbraw/zinc/93/72/00/648937200.db2.gz KMDGRTZHMZNGQU-CWIOURORSA-N 1 0 311.433 2.379 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1 ZINC000826902367 648944609 /nfs/dbraw/zinc/94/46/09/648944609.db2.gz JZKCQMUAAUDDMT-DUVNUKRYSA-N 1 0 309.406 2.057 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000826902706 648944855 /nfs/dbraw/zinc/94/48/55/648944855.db2.gz LREGEZAARWBNLT-HNNXBMFYSA-N 1 0 312.369 2.078 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(Cl)c1 ZINC000827131972 648978251 /nfs/dbraw/zinc/97/82/51/648978251.db2.gz HOJQZVUJZNLUKE-SMDDNHRTSA-N 1 0 308.809 2.455 20 10 DECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827132407 648978687 /nfs/dbraw/zinc/97/86/87/648978687.db2.gz MHPYBWLPGWYPBC-BXUZGUMPSA-N 1 0 308.809 2.455 20 10 DECDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000827280534 649006712 /nfs/dbraw/zinc/00/67/12/649006712.db2.gz FYPYWKOSQRUMCQ-CRAIPNDOSA-N 1 0 320.408 2.131 20 10 DECDRO CC(C)[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)[NH3+] ZINC000827913560 649105065 /nfs/dbraw/zinc/10/50/65/649105065.db2.gz AJQKHCHVAPWUCB-SUMWQHHRSA-N 1 0 303.450 2.305 20 10 DECDRO C[C@@H]([NH3+])CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003556 649258259 /nfs/dbraw/zinc/25/82/59/649258259.db2.gz PEKLRWBBUUEJCZ-HIFRSBDPSA-N 1 0 306.406 2.027 20 10 DECDRO [NH3+]C1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000829003054 649258317 /nfs/dbraw/zinc/25/83/17/649258317.db2.gz HZVBZALALMZONF-OAHLLOKOSA-N 1 0 318.417 2.171 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1F ZINC000829038968 649264056 /nfs/dbraw/zinc/26/40/56/649264056.db2.gz RAQZSWLACTZYTC-OAHLLOKOSA-N 1 0 307.413 2.286 20 10 DECDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000830597445 649465762 /nfs/dbraw/zinc/46/57/62/649465762.db2.gz JBVUOLZRLCEMAD-AWEZNQCLSA-N 1 0 302.418 2.419 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1N(C)C ZINC000830823588 649501645 /nfs/dbraw/zinc/50/16/45/649501645.db2.gz QGSBSXZNKDXNOH-SCTDSRPQSA-N 1 0 318.461 2.423 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000831173994 649548615 /nfs/dbraw/zinc/54/86/15/649548615.db2.gz UWWZHWGVWRFIAD-INIZCTEOSA-N 1 0 316.449 2.036 20 10 DECDRO Nc1ccc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000831426830 649590431 /nfs/dbraw/zinc/59/04/31/649590431.db2.gz OKKAQYKRTVULOP-YJBOKZPZSA-N 1 0 313.445 2.287 20 10 DECDRO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748443 649638056 /nfs/dbraw/zinc/63/80/56/649638056.db2.gz CDVTYKOKLCNSBK-CABCVRRESA-N 1 0 319.449 2.026 20 10 DECDRO COc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832286035 649692324 /nfs/dbraw/zinc/69/23/24/649692324.db2.gz VPBOINUPHKGYJZ-QGZVFWFLSA-N 1 0 313.401 2.191 20 10 DECDRO Cc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000832292172 649693196 /nfs/dbraw/zinc/69/31/96/649693196.db2.gz BZSRCKHITXNZEK-INIZCTEOSA-N 1 0 313.401 2.196 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(Cn3cnnc3)CC2)c1O ZINC000844734545 651162865 /nfs/dbraw/zinc/16/28/65/651162865.db2.gz ZDPRLKXSRGYWRR-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846011991 651301513 /nfs/dbraw/zinc/30/15/13/651301513.db2.gz SJHABALAYMXVPK-LJQANCHMSA-N 1 0 313.397 2.367 20 10 DECDRO CCOCc1cc(C[NH2+]C2(CC(=O)OC)CC2)ccc1OC ZINC000846027604 651303044 /nfs/dbraw/zinc/30/30/44/651303044.db2.gz SYMVUWJESSOTPB-UHFFFAOYSA-N 1 0 307.390 2.417 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1O ZINC000846135554 651310273 /nfs/dbraw/zinc/31/02/73/651310273.db2.gz DOTSGROZFFZPDL-CYBMUJFWSA-N 1 0 308.422 2.162 20 10 DECDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846141729 651310615 /nfs/dbraw/zinc/31/06/15/651310615.db2.gz NCKWJNXNWNGGQP-PNESKVBLSA-N 1 0 306.406 2.356 20 10 DECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1O ZINC000846144687 651310781 /nfs/dbraw/zinc/31/07/81/651310781.db2.gz LSGAUXUIPVRWQY-KGLIPLIRSA-N 1 0 308.422 2.020 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000846162408 651312324 /nfs/dbraw/zinc/31/23/24/651312324.db2.gz GZLASMLCQVUWFQ-NEPJUHHUSA-N 1 0 313.419 2.019 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000846170337 651312827 /nfs/dbraw/zinc/31/28/27/651312827.db2.gz XFRMCSCFKRIWTF-OUCADQQQSA-N 1 0 304.390 2.205 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000846206246 651314977 /nfs/dbraw/zinc/31/49/77/651314977.db2.gz OMQLMRUBXSGASG-KBPBESRZSA-N 1 0 301.434 2.414 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1F ZINC000846673135 651344734 /nfs/dbraw/zinc/34/47/34/651344734.db2.gz OCIBCCRFADCUFQ-GJZGRUSLSA-N 1 0 305.397 2.039 20 10 DECDRO C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000847405175 651394232 /nfs/dbraw/zinc/39/42/32/651394232.db2.gz ASJKAYIZVPLBER-LLVKDONJSA-N 1 0 304.369 2.110 20 10 DECDRO C/C(=C\c1ccncc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848394048 651455758 /nfs/dbraw/zinc/45/57/58/651455758.db2.gz MHLUTPMPBNCTFY-SZEUEKNRSA-N 1 0 324.428 2.367 20 10 DECDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563515 651471496 /nfs/dbraw/zinc/47/14/96/651471496.db2.gz UGDPNNAMROSGSC-SOUVJXGZSA-N 1 0 323.456 2.479 20 10 DECDRO CCc1cccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000848877020 651541963 /nfs/dbraw/zinc/54/19/63/651541963.db2.gz NPBFFXDXHWFAEI-UHFFFAOYSA-N 1 0 302.418 2.445 20 10 DECDRO CCc1cccc(C[NH+]2CCN(Cc3nccn3C)CC2)c1O ZINC000848886772 651545070 /nfs/dbraw/zinc/54/50/70/651545070.db2.gz WIBLMQUOKOXOFM-UHFFFAOYSA-N 1 0 314.433 2.006 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000848894109 651549189 /nfs/dbraw/zinc/54/91/89/651549189.db2.gz CGKKTGOZCMQOAD-GFCCVEGCSA-N 1 0 316.323 2.207 20 10 DECDRO CCc1cccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000848910457 651556214 /nfs/dbraw/zinc/55/62/14/651556214.db2.gz JJGSRIQYVCGUGT-KRWDZBQOSA-N 1 0 306.450 2.497 20 10 DECDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)cc1F ZINC000849094415 651600389 /nfs/dbraw/zinc/60/03/89/651600389.db2.gz HPIGJWVDLZIHDW-CYBMUJFWSA-N 1 0 322.428 2.417 20 10 DECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850099576 651827337 /nfs/dbraw/zinc/82/73/37/651827337.db2.gz OZQAHRCOKMRORW-APHBMKBZSA-N 1 0 302.418 2.356 20 10 DECDRO COC[C@@](C)(CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850172341 651851221 /nfs/dbraw/zinc/85/12/21/651851221.db2.gz APTRLUXTLYGYNV-QGZVFWFLSA-N 1 0 311.422 2.185 20 10 DECDRO COc1cccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1O ZINC000850353366 651908918 /nfs/dbraw/zinc/90/89/18/651908918.db2.gz BDJYKQPGCGCAJM-AEGPPILISA-N 1 0 309.406 2.057 20 10 DECDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406239 651922004 /nfs/dbraw/zinc/92/20/04/651922004.db2.gz YEMOOCMBIPSXCH-UHFFFAOYSA-N 1 0 314.433 2.277 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CC2 ZINC000850554759 651952809 /nfs/dbraw/zinc/95/28/09/651952809.db2.gz FQLJXMDBOKHDAZ-HOTGVXAUSA-N 1 0 302.418 2.222 20 10 DECDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568479 651955442 /nfs/dbraw/zinc/95/54/42/651955442.db2.gz YKUUOEFQQRAUAA-OAHLLOKOSA-N 1 0 314.433 2.023 20 10 DECDRO Cc1nccnc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000856767456 651977373 /nfs/dbraw/zinc/97/73/73/651977373.db2.gz PANLRDNHEGBHQH-CQSZACIVSA-N 1 0 312.417 2.472 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857302780 652100597 /nfs/dbraw/zinc/10/05/97/652100597.db2.gz ARARKTVORWKOPV-JTQLQIEISA-N 1 0 310.369 2.087 20 10 DECDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000851639598 652195508 /nfs/dbraw/zinc/19/55/08/652195508.db2.gz HWIZGAHQZWIORE-KEYYUXOJSA-N 1 0 319.449 2.010 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3COC(C)(C)O3)CC2)cc1F ZINC000851808689 652245097 /nfs/dbraw/zinc/24/50/97/652245097.db2.gz QIAYQUIBRLDENZ-AWEZNQCLSA-N 1 0 324.396 2.108 20 10 DECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858100261 652254513 /nfs/dbraw/zinc/25/45/13/652254513.db2.gz ALQJGBCTJZXUTG-NSHDSACASA-N 1 0 313.392 2.425 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCSCCCO)cc1F ZINC000858129427 652260842 /nfs/dbraw/zinc/26/08/42/652260842.db2.gz RRKQNMXSNYCZRE-UHFFFAOYSA-N 1 0 304.406 2.236 20 10 DECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143692 652264851 /nfs/dbraw/zinc/26/48/51/652264851.db2.gz RTTMPWBCXUYWNF-LKFCYVNXSA-N 1 0 304.406 2.233 20 10 DECDRO C[C@@](CO)([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858149254 652266020 /nfs/dbraw/zinc/26/60/20/652266020.db2.gz DORRTNKKYJBXJH-ZDUSSCGKSA-N 1 0 300.196 2.405 20 10 DECDRO Cc1nccnc1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858167814 652270497 /nfs/dbraw/zinc/27/04/97/652270497.db2.gz IXWLZTMAYRSENE-UHFFFAOYSA-N 1 0 306.360 2.462 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnn(C(C)(C)C)n2)c1 ZINC000851899590 652274113 /nfs/dbraw/zinc/27/41/13/652274113.db2.gz AFBYREPQUVUAEL-NSHDSACASA-N 1 0 319.409 2.036 20 10 DECDRO Cc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000858273030 652295241 /nfs/dbraw/zinc/29/52/41/652295241.db2.gz QZSJTYCSIRNCQP-UHFFFAOYSA-N 1 0 305.422 2.374 20 10 DECDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858318498 652304257 /nfs/dbraw/zinc/30/42/57/652304257.db2.gz LSFYUYWRCPXROL-AWEZNQCLSA-N 1 0 305.422 2.175 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(F)s2)cc1 ZINC000852791558 652458104 /nfs/dbraw/zinc/45/81/04/652458104.db2.gz JJOFLPHHMBSBDZ-LBPRGKRZSA-N 1 0 307.394 2.383 20 10 DECDRO O=C(NCCCSc1nccs1)C1([NH2+]C2CC2)CCC1 ZINC000852840018 652467135 /nfs/dbraw/zinc/46/71/35/652467135.db2.gz IBMHOBYHUOFXHK-UHFFFAOYSA-N 1 0 311.476 2.416 20 10 DECDRO C[N@H+](Cc1ccccc1O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111235496 652535242 /nfs/dbraw/zinc/53/52/42/652535242.db2.gz USOGMECWAVHSLF-UHFFFAOYSA-N 1 0 315.329 2.031 20 10 DECDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853576957 652571535 /nfs/dbraw/zinc/57/15/35/652571535.db2.gz GQKYDIQYNWGJLP-WBMJQRKESA-N 1 0 319.401 2.352 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000853626665 652580846 /nfs/dbraw/zinc/58/08/46/652580846.db2.gz CWRXRYYOKGWCOM-UHFFFAOYSA-N 1 0 308.378 2.030 20 10 DECDRO C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000854230594 652662595 /nfs/dbraw/zinc/66/25/95/652662595.db2.gz VFDSGORCCKRRGM-KXBFYZLASA-N 1 0 317.477 2.268 20 10 DECDRO CCC[N@H+](CC(=O)NC)Cc1cccc(Br)c1[O-] ZINC000133292060 684217665 /nfs/dbraw/zinc/21/76/65/684217665.db2.gz FFDALHATNJMSMF-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1c(F)cccc1F)OCO2 ZINC000123988318 684129905 /nfs/dbraw/zinc/12/99/05/684129905.db2.gz YMKJSDWVQSHTHB-ZDUSSCGKSA-N 1 0 323.295 2.222 20 10 DECDRO CC1CC[NH+](CC(=O)NCCCSc2nccs2)CC1 ZINC000136277378 684238692 /nfs/dbraw/zinc/23/86/92/684238692.db2.gz ZGEAPAACQDCPGD-UHFFFAOYSA-N 1 0 313.492 2.473 20 10 DECDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)[C@H]1CO ZINC000862336404 686278876 /nfs/dbraw/zinc/27/88/76/686278876.db2.gz DGAABANEGYHVRS-CABZTGNLSA-N 1 0 300.196 2.357 20 10 DECDRO CCOC(=O)c1cccc(C[NH2+]Cc2cccc(OC)c2O)n1 ZINC000862367474 686284365 /nfs/dbraw/zinc/28/43/65/686284365.db2.gz JYAXAFSGYMEQRK-UHFFFAOYSA-N 1 0 316.357 2.262 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000862549686 686321496 /nfs/dbraw/zinc/32/14/96/686321496.db2.gz CTLQKYNGYSPZKE-UHFFFAOYSA-N 1 0 308.756 2.341 20 10 DECDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000865805676 687341023 /nfs/dbraw/zinc/34/10/23/687341023.db2.gz ACFNUYYCUBTPPY-OAHLLOKOSA-N 1 0 312.369 2.397 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)CC2 ZINC000866437073 687573074 /nfs/dbraw/zinc/57/30/74/687573074.db2.gz XVCPYNQKAXZWHL-JQWIXIFHSA-N 1 0 312.295 2.364 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)c2c1c(F)ccc2O ZINC000866496758 687592129 /nfs/dbraw/zinc/59/21/29/687592129.db2.gz WYTMQFNTMFPASX-MFKMUULPSA-N 1 0 314.364 2.348 20 10 DECDRO COC(=O)c1coc([C@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000866659830 687643071 /nfs/dbraw/zinc/64/30/71/687643071.db2.gz VPMPXTIDIQYJPG-NSHDSACASA-N 1 0 315.373 2.434 20 10 DECDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000868098017 687909628 /nfs/dbraw/zinc/90/96/28/687909628.db2.gz RWPCEIFTMSHNDU-UONOGXRCSA-N 1 0 305.422 2.484 20 10 DECDRO C[C@@H](NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1O ZINC000868397350 688001331 /nfs/dbraw/zinc/00/13/31/688001331.db2.gz SBEPHIBJOJPEBP-ZOWXZIJZSA-N 1 0 303.406 2.235 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1O ZINC000868397344 688001768 /nfs/dbraw/zinc/00/17/68/688001768.db2.gz SBEPHIBJOJPEBP-TYNCELHUSA-N 1 0 303.406 2.235 20 10 DECDRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1O ZINC000868677290 688101373 /nfs/dbraw/zinc/10/13/73/688101373.db2.gz JDUHWAVAWHBSIA-RLAWYHOSSA-N 1 0 303.406 2.378 20 10 DECDRO C[C@@](O)(C[C@@H](O)C[NH2+]CCCSc1nccs1)C1CC1 ZINC000872201971 688950922 /nfs/dbraw/zinc/95/09/22/688950922.db2.gz OOGYBZQJJPXKRW-TZMCWYRMSA-N 1 0 316.492 2.127 20 10 DECDRO COc1ccc(C[NH2+]CCOCC2CC2)cc1Cn1cccn1 ZINC000873047792 689148040 /nfs/dbraw/zinc/14/80/40/689148040.db2.gz CXVQZLWQGZLFKR-UHFFFAOYSA-N 1 0 315.417 2.456 20 10 DECDRO COc1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1Cn1cccn1 ZINC000873052177 689149164 /nfs/dbraw/zinc/14/91/64/689149164.db2.gz RZIQYWWKGQWEOP-SFHVURJKSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CCO)C(C)C)cc1Cn1cccn1 ZINC000873063042 689151793 /nfs/dbraw/zinc/15/17/93/689151793.db2.gz HUOIZHGZCAHBKA-KRWDZBQOSA-N 1 0 317.433 2.437 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F ZINC000873226788 689187818 /nfs/dbraw/zinc/18/78/18/689187818.db2.gz BKVRVJLWFBZHAT-VXGBXAGGSA-N 1 0 319.346 2.461 20 10 DECDRO CCOc1ccc(O)c(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873227127 689188460 /nfs/dbraw/zinc/18/84/60/689188460.db2.gz HJEZFTZFWFHDMF-AAEUAGOBSA-N 1 0 318.339 2.360 20 10 DECDRO CCOc1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000873227228 689188506 /nfs/dbraw/zinc/18/85/06/689188506.db2.gz IFVBFVDTHSHEGF-AAEUAGOBSA-N 1 0 318.339 2.360 20 10 DECDRO CN(C)c1ccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873228643 689189528 /nfs/dbraw/zinc/18/95/28/689189528.db2.gz VDYUOWQJSRNSDL-OCCSQVGLSA-N 1 0 301.356 2.322 20 10 DECDRO Fc1cc(CN[C@@]23CCC[C@H]2[NH2+]CC3)ccc1N1CCOCC1 ZINC000873229843 689190248 /nfs/dbraw/zinc/19/02/48/689190248.db2.gz HIQFMCYAOODYDL-QZTJIDSGSA-N 1 0 319.424 2.037 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875369423 689614575 /nfs/dbraw/zinc/61/45/75/689614575.db2.gz JHDKHEKTPKIQJW-CQSZACIVSA-N 1 0 317.433 2.395 20 10 DECDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1Cc2cccc(O)c2C1 ZINC000875550526 689647762 /nfs/dbraw/zinc/64/77/62/689647762.db2.gz SCSVREZVPUXHNU-UHFFFAOYSA-N 1 0 315.417 2.434 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000876507088 689841739 /nfs/dbraw/zinc/84/17/39/689841739.db2.gz VGYIRFSXQYXAPS-JKSUJKDBSA-N 1 0 301.434 2.449 20 10 DECDRO CNc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876506990 689841749 /nfs/dbraw/zinc/84/17/49/689841749.db2.gz SKFNBYCBMRPURV-QGZVFWFLSA-N 1 0 312.417 2.224 20 10 DECDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506204 689841864 /nfs/dbraw/zinc/84/18/64/689841864.db2.gz HDQSJQXLIMTYMV-KFFAWSGCSA-N 1 0 301.434 2.161 20 10 DECDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(F)(F)F ZINC000876507161 689842074 /nfs/dbraw/zinc/84/20/74/689842074.db2.gz WWNIOBAMXGHQFP-ZWNOBZJWSA-N 1 0 317.355 2.457 20 10 DECDRO OCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876522937 689846009 /nfs/dbraw/zinc/84/60/09/689846009.db2.gz GWUBJFYZDBPTHX-UHFFFAOYSA-N 1 0 318.461 2.385 20 10 DECDRO Cc1ccc(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000876567622 689859685 /nfs/dbraw/zinc/85/96/85/689859685.db2.gz CODSFMUVBOVKGH-QGZVFWFLSA-N 1 0 304.434 2.387 20 10 DECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876630975 689882239 /nfs/dbraw/zinc/88/22/39/689882239.db2.gz PGPLOVBDCIMDKD-UHFFFAOYSA-N 1 0 320.433 2.033 20 10 DECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000876728523 689918344 /nfs/dbraw/zinc/91/83/44/689918344.db2.gz OPIHKBAAMUWNTB-JCVNQNCUSA-N 1 0 313.445 2.459 20 10 DECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC000876763861 689929668 /nfs/dbraw/zinc/92/96/68/689929668.db2.gz MFLLYRWTGZJXAR-IAGOWNOFSA-N 1 0 305.418 2.453 20 10 DECDRO CCc1nsc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)n1 ZINC000876765575 689930626 /nfs/dbraw/zinc/93/06/26/689930626.db2.gz TWDKBDFKOCUPCH-UHFFFAOYSA-N 1 0 318.446 2.437 20 10 DECDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000876766794 689931062 /nfs/dbraw/zinc/93/10/62/689931062.db2.gz SGLQDIZQSQUVGH-HOCLYGCPSA-N 1 0 311.447 2.488 20 10 DECDRO Cc1nsc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC000876769608 689932055 /nfs/dbraw/zinc/93/20/55/689932055.db2.gz VGXBBWALZLRZSS-UHFFFAOYSA-N 1 0 304.419 2.183 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876872520 689960212 /nfs/dbraw/zinc/96/02/12/689960212.db2.gz GDQWNDGFKZFXFS-KUCQQTCKSA-N 1 0 301.434 2.267 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)c2oc(C[NH3+])cc2C)c1 ZINC000876879687 689962108 /nfs/dbraw/zinc/96/21/08/689962108.db2.gz VAWHEUCPISGQEQ-SNVBAGLBSA-N 1 0 304.346 2.252 20 10 DECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000876883768 689963814 /nfs/dbraw/zinc/96/38/14/689963814.db2.gz AWTGMIGFHMTIQR-YHAOYDPOSA-N 1 0 314.429 2.443 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000876972536 689986662 /nfs/dbraw/zinc/98/66/62/689986662.db2.gz VIDDJGDWULCNMO-AWEZNQCLSA-N 1 0 305.349 2.369 20 10 DECDRO COc1cccc(C(=O)NCC[NH2+]Cc2c(C)cccc2O)c1 ZINC000876981597 689989203 /nfs/dbraw/zinc/98/92/03/689989203.db2.gz WNCULCCUJFOGQM-UHFFFAOYSA-N 1 0 314.385 2.229 20 10 DECDRO CCN(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876995872 689993153 /nfs/dbraw/zinc/99/31/53/689993153.db2.gz LLBXTSVKYROBAU-UHFFFAOYSA-N 1 0 317.477 2.222 20 10 DECDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000877126170 690024381 /nfs/dbraw/zinc/02/43/81/690024381.db2.gz FWZWLMRYCORMAN-SJLPKXTDSA-N 1 0 301.386 2.275 20 10 DECDRO CC(C)[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001035137427 690035839 /nfs/dbraw/zinc/03/58/39/690035839.db2.gz DEFNMRHHEJSUAQ-CQSZACIVSA-N 1 0 317.393 2.452 20 10 DECDRO C[C@H](NC(=O)Cc1cccc2c1CC[NH2+]C2)c1ccccc1O ZINC000877256936 690058678 /nfs/dbraw/zinc/05/86/78/690058678.db2.gz HWHRJABXNKBGEK-ZDUSSCGKSA-N 1 0 310.397 2.458 20 10 DECDRO CCOC(=O)C1(COC)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877491973 690129559 /nfs/dbraw/zinc/12/95/59/690129559.db2.gz CXHVJGINSXTCAP-UHFFFAOYSA-N 1 0 321.417 2.492 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)CC2)c1 ZINC000877533130 690143376 /nfs/dbraw/zinc/14/33/76/690143376.db2.gz LGCPVPWJVXJISL-NWDGAFQWSA-N 1 0 313.419 2.019 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)[C@H]1n1cccn1 ZINC000877554753 690150293 /nfs/dbraw/zinc/15/02/93/690150293.db2.gz ODLDAQICMUBNJN-DJIMGWMZSA-N 1 0 301.390 2.405 20 10 DECDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877572479 690156206 /nfs/dbraw/zinc/15/62/06/690156206.db2.gz HJDLXXSMHYKQQK-QGZVFWFLSA-N 1 0 304.434 2.162 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c(O)c1 ZINC000877648477 690178799 /nfs/dbraw/zinc/17/87/99/690178799.db2.gz ZGZKYOFBXKIIBW-MRXNPFEDSA-N 1 0 317.410 2.460 20 10 DECDRO Cc1cccc(O)c1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000877677182 690187171 /nfs/dbraw/zinc/18/71/71/690187171.db2.gz NVOUMGSAZAJDPJ-UHFFFAOYSA-N 1 0 302.378 2.003 20 10 DECDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(C)cc2O)CCCOC1 ZINC000877698058 690195475 /nfs/dbraw/zinc/19/54/75/690195475.db2.gz GNFOQOGCGITFBZ-QGZVFWFLSA-N 1 0 307.390 2.150 20 10 DECDRO OC[C@@H]1CSCCN1Cc1cc(Br)ccc1O ZINC000877779189 690225231 /nfs/dbraw/zinc/22/52/31/690225231.db2.gz ALNDKBDBNRKXMM-LLVKDONJSA-N 1 0 318.236 2.064 20 10 DECDRO CCc1cccc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000877815446 690239016 /nfs/dbraw/zinc/23/90/16/690239016.db2.gz DMDFMLADFRBDKZ-CALCHBBNSA-N 1 0 323.458 2.211 20 10 DECDRO CCN(C#N)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000877983255 690278017 /nfs/dbraw/zinc/27/80/17/690278017.db2.gz HRPAZLXYJXMEIX-UHFFFAOYSA-N 1 0 302.422 2.010 20 10 DECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878241916 690355823 /nfs/dbraw/zinc/35/58/23/690355823.db2.gz KGNDOSFUQBIHSS-SJLPKXTDSA-N 1 0 301.386 2.309 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3CCO[C@@H]3C)CC2)c(OC)c1 ZINC000879461808 690646617 /nfs/dbraw/zinc/64/66/17/690646617.db2.gz NALRYFBOOQMEFR-HUUCEWRRSA-N 1 0 320.433 2.251 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(=O)NC(C)(C)C ZINC000879651331 690699477 /nfs/dbraw/zinc/69/94/77/690699477.db2.gz RJSXGOQLYIHWBY-WDEREUQCSA-N 1 0 307.394 2.056 20 10 DECDRO C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccccc1O ZINC000879673902 690704105 /nfs/dbraw/zinc/70/41/05/690704105.db2.gz RXZSROSFMMPGNY-LBPRGKRZSA-N 1 0 317.393 2.033 20 10 DECDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)co1 ZINC000881853944 691174643 /nfs/dbraw/zinc/17/46/43/691174643.db2.gz PANGPHSDGISCFZ-UHFFFAOYSA-N 1 0 313.401 2.270 20 10 DECDRO CC/C=C(/C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853819 691174673 /nfs/dbraw/zinc/17/46/73/691174673.db2.gz LJWBGEILOGAPGO-WCSRMQSCSA-N 1 0 301.434 2.411 20 10 DECDRO Cn1nc2c(c1C[NH2+]Cc1ccc3c(c1)CCO3)CSCC2 ZINC000882954281 691396374 /nfs/dbraw/zinc/39/63/74/691396374.db2.gz KJHMOQOAOAMPCY-UHFFFAOYSA-N 1 0 315.442 2.434 20 10 DECDRO CCC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883045371 691418880 /nfs/dbraw/zinc/41/88/80/691418880.db2.gz VTZLCTDBSPEFFH-OAHLLOKOSA-N 1 0 318.465 2.426 20 10 DECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000883263367 691468050 /nfs/dbraw/zinc/46/80/50/691468050.db2.gz QTYKLOCJZSWQNC-SHTZXODSSA-N 1 0 308.397 2.177 20 10 DECDRO CC(=O)c1cc(F)cc(CN(CCC[NH3+])CC(F)(F)F)c1O ZINC000883443381 691511467 /nfs/dbraw/zinc/51/14/67/691511467.db2.gz NUHCKHMDTOENEY-UHFFFAOYSA-N 1 0 322.302 2.447 20 10 DECDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193546 691678706 /nfs/dbraw/zinc/67/87/06/691678706.db2.gz INFZEELIAVEOAE-MRXNPFEDSA-N 1 0 301.434 2.149 20 10 DECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886522321 692100661 /nfs/dbraw/zinc/10/06/61/692100661.db2.gz HDTQEMWXQQMCDQ-LSDHHAIUSA-N 1 0 323.456 2.456 20 10 DECDRO CON1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000924706265 693174176 /nfs/dbraw/zinc/17/41/76/693174176.db2.gz GDHMBHJSHFGPNU-UHFFFAOYSA-N 1 0 321.490 2.355 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cn(C)cn3)C2)cc1 ZINC000926680652 693491403 /nfs/dbraw/zinc/49/14/03/693491403.db2.gz QUECXYHPVKPEFR-KBPBESRZSA-N 1 0 300.406 2.358 20 10 DECDRO CC[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(N(C)C)cc1 ZINC000927152856 693562228 /nfs/dbraw/zinc/56/22/28/693562228.db2.gz VZPHHFMOTYZZRX-GOEBONIOSA-N 1 0 313.449 2.479 20 10 DECDRO COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)c(O)c1OC ZINC001333737880 1150085306 /nfs/dbraw/zinc/08/53/06/1150085306.db2.gz RNKBNRRQMGOJDF-YOEHRIQHSA-N 1 0 309.406 2.440 20 10 DECDRO Nc1ccc(CC(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)cc1 ZINC001343624673 1150758225 /nfs/dbraw/zinc/75/82/25/1150758225.db2.gz WCZZNFKPCAJIHF-HNNXBMFYSA-N 1 0 301.434 2.179 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C)OC)C2CC2)cc1C ZINC001480006620 1151369464 /nfs/dbraw/zinc/36/94/64/1151369464.db2.gz ONFRHLWLAZPRSE-BBRMVZONSA-N 1 0 320.433 2.023 20 10 DECDRO Nc1ccc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001352987576 1151801777 /nfs/dbraw/zinc/80/17/77/1151801777.db2.gz IISHLFPKTRKXDJ-UHFFFAOYSA-N 1 0 303.406 2.098 20 10 DECDRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(N)cc2)cc(Cl)n1 ZINC001356228114 1152065969 /nfs/dbraw/zinc/06/59/69/1152065969.db2.gz OKLODJOXHGWLOW-AWEZNQCLSA-N 1 0 318.808 2.332 20 10 DECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001441176899 1181884376 /nfs/dbraw/zinc/88/43/76/1181884376.db2.gz OFBCIQHJDGGTBX-LBPRGKRZSA-N 1 0 317.393 2.453 20 10 DECDRO C[NH+](C)[C@@H](CC(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001348048482 1151115943 /nfs/dbraw/zinc/11/59/43/1151115943.db2.gz UIOGAFXOZSRKMM-HNNXBMFYSA-N 1 0 314.385 2.407 20 10 DECDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001330622065 1149215078 /nfs/dbraw/zinc/21/50/78/1149215078.db2.gz OPBGVWDTBRPIGF-QAPCUYQASA-N 1 0 304.434 2.305 20 10 DECDRO CCC(=O)Nc1cc(NCCc2cc(O)c(O)cc2O)cc[nH+]1 ZINC001168016309 779350165 /nfs/dbraw/zinc/35/01/65/779350165.db2.gz LAXSZKRZZBJJNU-UHFFFAOYSA-N 1 0 317.345 2.202 20 10 DECDRO C[C@]1([NH3+])CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001204772394 779475804 /nfs/dbraw/zinc/47/58/04/779475804.db2.gz UYXSUTRQSIEGHQ-SFHVURJKSA-N 1 0 301.434 2.014 20 10 DECDRO COc1ccc(Br)c(CN2CC[C@](C)([NH3+])C2)c1O ZINC001204791632 779816346 /nfs/dbraw/zinc/81/63/46/779816346.db2.gz QHXIOZIFIBUPDB-ZDUSSCGKSA-N 1 0 315.211 2.086 20 10 DECDRO C[NH+](C)C1CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299490 790849553 /nfs/dbraw/zinc/84/95/53/790849553.db2.gz YFBKCECQYKSUFM-UHFFFAOYSA-N 1 0 303.175 2.040 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc3C2)cc1O ZINC001168399137 781792837 /nfs/dbraw/zinc/79/28/37/781792837.db2.gz XQRWSYPMVBREKV-QAPCUYQASA-N 1 0 317.360 2.417 20 10 DECDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515843 790943656 /nfs/dbraw/zinc/94/36/56/790943656.db2.gz GUDHLVILBWUQAQ-CYBMUJFWSA-N 1 0 316.357 2.160 20 10 DECDRO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515606 790943909 /nfs/dbraw/zinc/94/39/09/790943909.db2.gz SGLRCVNIBFBLFW-NSHDSACASA-N 1 0 323.389 2.357 20 10 DECDRO CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086281771 784542705 /nfs/dbraw/zinc/54/27/05/784542705.db2.gz FDLQNFTZHXSMGP-VDISTLRHSA-N 1 0 317.393 2.357 20 10 DECDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169039890 785014041 /nfs/dbraw/zinc/01/40/41/785014041.db2.gz VKFBVWFIOPFHQA-BXUZGUMPSA-N 1 0 306.362 2.291 20 10 DECDRO CC[NH+]1CCC(N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001169244178 785110743 /nfs/dbraw/zinc/11/07/43/785110743.db2.gz GFCGTZUFWHSBJU-UHFFFAOYSA-N 1 0 303.450 2.302 20 10 DECDRO Oc1ccc(CNc2ccc3c(C4C[NH2+]C4)ncn3c2)cc1O ZINC001169992624 785799559 /nfs/dbraw/zinc/79/95/59/785799559.db2.gz HZQWXKAEONJHMV-UHFFFAOYSA-N 1 0 310.357 2.044 20 10 DECDRO C[S@@](=O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000691466770 785902688 /nfs/dbraw/zinc/90/26/88/785902688.db2.gz MTCVRCVCPDEOKX-MRXNPFEDSA-N 1 0 306.225 2.013 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](OC)C2)cc1C ZINC001130550657 787427765 /nfs/dbraw/zinc/42/77/65/787427765.db2.gz MIPCAIPDXDISAV-JKSUJKDBSA-N 1 0 320.433 2.025 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CC[C@H](C)O2)cc1C ZINC001133325085 788362892 /nfs/dbraw/zinc/36/28/92/788362892.db2.gz ZBKXIQXSZGDRHI-HOCLYGCPSA-N 1 0 320.433 2.167 20 10 DECDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C)cc(OC)n1 ZINC001134872247 789122618 /nfs/dbraw/zinc/12/26/18/789122618.db2.gz JMLOXZPBFPOTJP-QWHCGFSZSA-N 1 0 323.437 2.241 20 10 DECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001136147078 789647574 /nfs/dbraw/zinc/64/75/74/789647574.db2.gz QKMHPJBTAGXXEA-HNNXBMFYSA-N 1 0 320.433 2.267 20 10 DECDRO C[C@H]([NH2+]C1C[C@@H]2COC[C@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC001172128880 793319706 /nfs/dbraw/zinc/31/97/06/793319706.db2.gz NPIOOJDFGAWKKZ-ZVRJUHEZSA-N 1 0 303.450 2.265 20 10 DECDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CSc3ccccc3C2)cc1O ZINC001172184588 793345629 /nfs/dbraw/zinc/34/56/29/793345629.db2.gz NLYWWZRIUPGSNM-BBRMVZONSA-N 1 0 317.410 2.438 20 10 DECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240158 793381901 /nfs/dbraw/zinc/38/19/01/793381901.db2.gz IMPSAZDGKIUKBT-YQQQUEKLSA-N 1 0 314.429 2.441 20 10 DECDRO COc1ccc(N2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)c(OC)c1 ZINC001172296042 793406701 /nfs/dbraw/zinc/40/67/01/793406701.db2.gz VPESWVQMXFIAFO-AWEZNQCLSA-N 1 0 320.433 2.393 20 10 DECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(C(N)=O)CCOCC1 ZINC001116565331 794969992 /nfs/dbraw/zinc/96/99/92/794969992.db2.gz PMZBGPFEISNMEP-STQMWFEESA-N 1 0 318.417 2.121 20 10 DECDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]2N1 ZINC001118568870 795201117 /nfs/dbraw/zinc/20/11/17/795201117.db2.gz ZHAFBXCPTWLXAZ-FUHWJXTLSA-N 1 0 313.445 2.387 20 10 DECDRO C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1CCC[NH3+] ZINC001120542307 795480894 /nfs/dbraw/zinc/48/08/94/795480894.db2.gz KBGFXEPZVKBNMP-RHSMWYFYSA-N 1 0 318.465 2.360 20 10 DECDRO C[C@H](NC(=O)c1coc([C@@H]2CCC[NH2+]2)n1)c1ccccc1O ZINC001122192391 795734662 /nfs/dbraw/zinc/73/46/62/795734662.db2.gz SIRCROICHVZFNF-JQWIXIFHSA-N 1 0 301.346 2.296 20 10 DECDRO Oc1c(C[NH+]2CC3(C2)CCOC3)cc2c3c1CCCN3CCC2 ZINC001138338970 796200180 /nfs/dbraw/zinc/20/01/80/796200180.db2.gz YMHIPLFVMKMFBX-UHFFFAOYSA-N 1 0 314.429 2.313 20 10 DECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359577 796205227 /nfs/dbraw/zinc/20/52/27/796205227.db2.gz USNYZIGEYCZIIC-SFHVURJKSA-N 1 0 302.418 2.454 20 10 DECDRO CCN(CC)c1ccc(CN(C)CC(=O)N(C)C)c(OC)c1 ZINC001138389137 796210956 /nfs/dbraw/zinc/21/09/56/796210956.db2.gz KVELWBXTBVRKDB-UHFFFAOYSA-N 1 0 307.438 2.061 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(OC)c1 ZINC001138392142 796211754 /nfs/dbraw/zinc/21/17/54/796211754.db2.gz RRXCDLFNCQKJNP-IRXDYDNUSA-N 1 0 303.450 2.430 20 10 DECDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CO ZINC001138496460 796226944 /nfs/dbraw/zinc/22/69/44/796226944.db2.gz PYSMESXXGSRMCV-YJBOKZPZSA-N 1 0 304.434 2.116 20 10 DECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001203617653 796275743 /nfs/dbraw/zinc/27/57/43/796275743.db2.gz SQXADHJFRIPRSB-ZFWWWQNUSA-N 1 0 318.417 2.234 20 10 DECDRO COc1cc(CN(C)Cc2ccon2)cc(C[NH+](C)C)c1O ZINC001139258191 796350078 /nfs/dbraw/zinc/35/00/78/796350078.db2.gz MMMKMVGDAIIYDJ-UHFFFAOYSA-N 1 0 305.378 2.082 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139258812 796350323 /nfs/dbraw/zinc/35/03/23/796350323.db2.gz XCPCVGYKDFGLQO-GOSISDBHSA-N 1 0 320.433 2.217 20 10 DECDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140056365 796471133 /nfs/dbraw/zinc/47/11/33/796471133.db2.gz SUMOYRFPAWVSBR-CQSZACIVSA-N 1 0 303.337 2.283 20 10 DECDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1O ZINC001140180506 796487692 /nfs/dbraw/zinc/48/76/92/796487692.db2.gz HYPKBAYWFPPNJQ-IYBDPMFKSA-N 1 0 324.428 2.367 20 10 DECDRO CC[NH+]1CCN(c2ccc(CN3CCC(=O)C[C@@H]3C)cc2)CC1 ZINC001140302495 796503044 /nfs/dbraw/zinc/50/30/44/796503044.db2.gz SBOYKFVDCZPZFF-INIZCTEOSA-N 1 0 315.461 2.382 20 10 DECDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC001140345389 796511427 /nfs/dbraw/zinc/51/14/27/796511427.db2.gz UNJGJWQACFPWAS-HBYGRHMLSA-N 1 0 308.809 2.248 20 10 DECDRO Oc1cc(Cl)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001140466924 796525526 /nfs/dbraw/zinc/52/55/26/796525526.db2.gz MKPQSBUMHHJYDD-HNNXBMFYSA-N 1 0 310.825 2.342 20 10 DECDRO CO[C@H](C)C1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667061 796553166 /nfs/dbraw/zinc/55/31/66/796553166.db2.gz HGKOHMRFPNOAKC-CYBMUJFWSA-N 1 0 308.397 2.129 20 10 DECDRO Cc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)nc1 ZINC001140746270 796566763 /nfs/dbraw/zinc/56/67/63/796566763.db2.gz XMMLFMKJXGDBKE-UHFFFAOYSA-N 1 0 313.401 2.432 20 10 DECDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001140850497 796582819 /nfs/dbraw/zinc/58/28/19/796582819.db2.gz NBVCDCHQDGHDRK-GOSISDBHSA-N 1 0 320.433 2.230 20 10 DECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001203670337 796591285 /nfs/dbraw/zinc/59/12/85/796591285.db2.gz NZNADXUHVCDUCL-PWSUYJOCSA-N 1 0 305.296 2.003 20 10 DECDRO Cc1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001140949599 796605654 /nfs/dbraw/zinc/60/56/54/796605654.db2.gz FVBBBTFHZMHJKQ-UHFFFAOYSA-N 1 0 311.429 2.456 20 10 DECDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)nc1 ZINC001140953862 796606649 /nfs/dbraw/zinc/60/66/49/796606649.db2.gz IBJKNPISHWFBPW-CQSZACIVSA-N 1 0 315.373 2.153 20 10 DECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H]1C ZINC001141144020 796638988 /nfs/dbraw/zinc/63/89/88/796638988.db2.gz SREACOWILUAFSX-UKRRQHHQSA-N 1 0 318.417 2.289 20 10 DECDRO CN1CCOc2cc(CN3CCC[C@@H]4C[N@H+](C)C[C@@H]43)ccc21 ZINC001141143798 796639140 /nfs/dbraw/zinc/63/91/40/796639140.db2.gz KNNDQRTZLRJODX-WBVHZDCISA-N 1 0 301.434 2.041 20 10 DECDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145151 796639539 /nfs/dbraw/zinc/63/95/39/796639539.db2.gz QUIIVRKXIWOGOO-INIZCTEOSA-N 1 0 303.450 2.430 20 10 DECDRO CCC[NH+]1C[C@H]2CN(Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146502 796639635 /nfs/dbraw/zinc/63/96/35/796639635.db2.gz XTRLYEZTOQFEDW-IRXDYDNUSA-N 1 0 315.461 2.289 20 10 DECDRO Oc1ccc(O)c(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001141160268 796642985 /nfs/dbraw/zinc/64/29/85/796642985.db2.gz VCTCHQHCGPPXIZ-UHFFFAOYSA-N 1 0 319.792 2.468 20 10 DECDRO Cc1cncc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC001203170002 796734890 /nfs/dbraw/zinc/73/48/90/796734890.db2.gz FQFPCYBDLUHVTD-UHFFFAOYSA-N 1 0 312.417 2.254 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)CC[NH2+]1 ZINC000841857198 796744688 /nfs/dbraw/zinc/74/46/88/796744688.db2.gz NSTCJFZNKOAERK-QWRGUYRKSA-N 1 0 314.480 2.065 20 10 DECDRO C[NH+](C)C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143103799 796802807 /nfs/dbraw/zinc/80/28/07/796802807.db2.gz KHDHVZVXIPPUHM-OAHLLOKOSA-N 1 0 306.450 2.452 20 10 DECDRO C[NH+](C)C[C@H]1COCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143111409 796803197 /nfs/dbraw/zinc/80/31/97/796803197.db2.gz BNDNDGARHWXFNO-HNNXBMFYSA-N 1 0 306.450 2.452 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1O ZINC001143111500 796803454 /nfs/dbraw/zinc/80/34/54/796803454.db2.gz CFFDNHZKGOEMAB-GXTWGEPZSA-N 1 0 302.418 2.258 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCCO2)cc1C ZINC001154995587 797656405 /nfs/dbraw/zinc/65/64/05/797656405.db2.gz LZZYEQUOVDMZMQ-MRXNPFEDSA-N 1 0 320.433 2.169 20 10 DECDRO COc1ccc(C[NH2+]CCCNC(=O)c2cc[nH]c2)cc1C ZINC001158586382 798433850 /nfs/dbraw/zinc/43/38/50/798433850.db2.gz CZSLCAOADZAFLI-UHFFFAOYSA-N 1 0 301.390 2.241 20 10 DECDRO CCOCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001199209174 798451167 /nfs/dbraw/zinc/45/11/67/798451167.db2.gz DCMWHMDMIKBCGI-UHFFFAOYSA-N 1 0 320.433 2.121 20 10 DECDRO C[C@H](NC(=S)NCC[NH+]1CCCCC1)c1ccccc1O ZINC001200441550 798629172 /nfs/dbraw/zinc/62/91/72/798629172.db2.gz FVUUDIZMQYWVIG-ZDUSSCGKSA-N 1 0 307.463 2.403 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC001200704925 798670452 /nfs/dbraw/zinc/67/04/52/798670452.db2.gz 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C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(C(=O)[O-])ccc1O ZINC001609778524 1077921321 /nfs/dbraw/zinc/92/13/21/1077921321.db2.gz NQHXZJORYMRQLV-IGHBBLSQSA-N 1 0 304.390 2.129 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001609778180 1077921527 /nfs/dbraw/zinc/92/15/27/1077921527.db2.gz NFDZELYLSOIITE-WCQYABFASA-N 1 0 304.390 2.416 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC001653047435 1079910719 /nfs/dbraw/zinc/91/07/19/1079910719.db2.gz FZVBDILSAISLMD-IDOMTICXSA-N 1 0 319.424 2.301 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCO[C@@H](C)C2)cc1F ZINC001655565886 1080005482 /nfs/dbraw/zinc/00/54/82/1080005482.db2.gz FBOWUJBVOQILCG-HNNXBMFYSA-N 1 0 323.456 2.482 20 10 DECDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001658078231 1080195172 /nfs/dbraw/zinc/19/51/72/1080195172.db2.gz YXVWRDBQEPDVKM-IUODEOHRSA-N 1 0 310.825 2.341 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(O)c1 ZINC001658912022 1080221132 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CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266671928 1082268637 /nfs/dbraw/zinc/26/86/37/1082268637.db2.gz HIFVPLOZAXYCCN-IYBDPMFKSA-N 1 0 320.433 2.167 20 10 DECDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)OC)CCC2)cc1C ZINC001280468795 1082828115 /nfs/dbraw/zinc/82/81/15/1082828115.db2.gz FMOMWDQLRMIABM-CQSZACIVSA-N 1 0 320.433 2.167 20 10 DECDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001276819737 1083629554 /nfs/dbraw/zinc/62/95/54/1083629554.db2.gz XGHFWSVZJOTOIY-AOOOYVTPSA-N 1 0 317.216 2.214 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913865 1083677691 /nfs/dbraw/zinc/67/76/91/1083677691.db2.gz LLVHUQYOPVXNIB-KSSFIOAISA-N 1 0 318.417 2.178 20 10 DECDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1O)N1CC=CC1 ZINC001277445763 1083974314 /nfs/dbraw/zinc/97/43/14/1083974314.db2.gz HRJFVSPQMCWPEG-IDCJVQTKSA-N 1 0 312.413 2.295 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@@H]3C(=O)OCC3(C)C)cc2)CC1 ZINC001234657859 1084190587 /nfs/dbraw/zinc/19/05/87/1084190587.db2.gz KDCHSMKKQULHSW-MRXNPFEDSA-N 1 0 318.417 2.159 20 10 DECDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2)CC1 ZINC001234660087 1084190667 /nfs/dbraw/zinc/19/06/67/1084190667.db2.gz DDGXEEBOBNIVLO-INIZCTEOSA-N 1 0 306.474 2.302 20 10 DECDRO Cc1cc(CN2CCNC[C@@]23CC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001234982275 1084259204 /nfs/dbraw/zinc/25/92/04/1084259204.db2.gz OONBJZYHIZZVQT-FQEVSTJZSA-N 1 0 324.472 2.231 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235115736 1084315912 /nfs/dbraw/zinc/31/59/12/1084315912.db2.gz KBUVRYFIUFJLNM-IBGZPJMESA-N 1 0 315.461 2.241 20 10 DECDRO O=C([O-])c1ccc(O)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235238643 1084356464 /nfs/dbraw/zinc/35/64/64/1084356464.db2.gz GHKTYOITFDNGLI-INIZCTEOSA-N 1 0 318.417 2.445 20 10 DECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(OC(F)(F)F)c1O ZINC001235449944 1084433595 /nfs/dbraw/zinc/43/35/95/1084433595.db2.gz JJENSDYHBBHUGA-VHSXEESVSA-N 1 0 304.312 2.473 20 10 DECDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1 ZINC001235677584 1084495610 /nfs/dbraw/zinc/49/56/10/1084495610.db2.gz FSDNHMIRTPHVQS-WFASDCNBSA-N 1 0 302.418 2.258 20 10 DECDRO C[NH+](C)C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCO1 ZINC001235674894 1084496177 /nfs/dbraw/zinc/49/61/77/1084496177.db2.gz IKRLGQCJSKERCC-INIZCTEOSA-N 1 0 306.450 2.452 20 10 DECDRO COC(=O)c1c(CN2[C@H](C)C[NH2+]C[C@H]2C)c2ccccc2n1C ZINC001236102180 1084612744 /nfs/dbraw/zinc/61/27/44/1084612744.db2.gz ILXBPKYAZNZCGE-CHWSQXEVSA-N 1 0 315.417 2.147 20 10 DECDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001143103414 1085688167 /nfs/dbraw/zinc/68/81/67/1085688167.db2.gz CQBKISDLXVZCQG-YJBOKZPZSA-N 1 0 307.434 2.255 20 10 DECDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001272983082 1085781055 /nfs/dbraw/zinc/78/10/55/1085781055.db2.gz OVBKVHPGXIJTAH-SFHVURJKSA-N 1 0 318.417 2.322 20 10 DECDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137835935 1086587660 /nfs/dbraw/zinc/58/76/60/1086587660.db2.gz RGPXTTSQBYUSHA-CYBMUJFWSA-N 1 0 306.381 2.222 20 10 DECDRO COC[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001129135300 1086602854 /nfs/dbraw/zinc/60/28/54/1086602854.db2.gz ABFAAKHHMJKMCU-GJZGRUSLSA-N 1 0 322.449 2.128 20 10 DECDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706808416 1086652619 /nfs/dbraw/zinc/65/26/19/1086652619.db2.gz NALAHSHJMHAIBF-SECBINFHSA-N 1 0 315.211 2.157 20 10 DECDRO OC[C@H](CC(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000717706660 1091258465 /nfs/dbraw/zinc/25/84/65/1091258465.db2.gz JIZZIBWNXAZMDB-ZETCQYMHSA-N 1 0 310.138 2.260 20 10 DECDRO CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001274687284 1091368483 /nfs/dbraw/zinc/36/84/83/1091368483.db2.gz ZLSQKEGWOPAORQ-ZIAGYGMSSA-N 1 0 308.422 2.023 20 10 DECDRO CN1CC[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001274823376 1091431468 /nfs/dbraw/zinc/43/14/68/1091431468.db2.gz PCSKXIVSIZYPNJ-HNNXBMFYSA-N 1 0 312.772 2.239 20 10 DECDRO Oc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275267590 1091644649 /nfs/dbraw/zinc/64/46/49/1091644649.db2.gz SFMOUQCNJSBAQK-CALCHBBNSA-N 1 0 302.418 2.220 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)ccc1N(C)C ZINC001275361321 1091689465 /nfs/dbraw/zinc/68/94/65/1091689465.db2.gz RTHNOWQQCHBUBH-IBGZPJMESA-N 1 0 317.477 2.358 20 10 DECDRO Oc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]32)cc1O ZINC001275821527 1092180485 /nfs/dbraw/zinc/18/04/85/1092180485.db2.gz SJUDSKSPNYISSC-GOEBONIOSA-N 1 0 313.401 2.132 20 10 DECDRO Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275913125 1092299303 /nfs/dbraw/zinc/29/93/03/1092299303.db2.gz ILKGDPPXGBHTJB-CALCHBBNSA-N 1 0 320.408 2.359 20 10 DECDRO Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(O)c1 ZINC001275952555 1092369412 /nfs/dbraw/zinc/36/94/12/1092369412.db2.gz HJVBDDQAJGJTMI-IRXDYDNUSA-N 1 0 313.401 2.275 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@](C)(O)C2)c(O)cc1Br ZINC001236748573 1138405692 /nfs/dbraw/zinc/40/56/92/1138405692.db2.gz RQKYAGMCCMHRML-ZDUSSCGKSA-N 1 0 316.195 2.120 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc1OC ZINC001236748899 1138406722 /nfs/dbraw/zinc/40/67/22/1138406722.db2.gz BVROOXMLOQBAGK-QGZVFWFLSA-N 1 0 309.406 2.392 20 10 DECDRO CCc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)c1 ZINC001236791476 1138429556 /nfs/dbraw/zinc/42/95/56/1138429556.db2.gz HQRWKGWTIDVBDI-UHFFFAOYSA-N 1 0 304.390 2.371 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(Cl)c1 ZINC001236806021 1138432884 /nfs/dbraw/zinc/43/28/84/1138432884.db2.gz LEOOFTVZOJBLRS-LLVKDONJSA-N 1 0 322.796 2.483 20 10 DECDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c(O)c1 ZINC001236813401 1138437414 /nfs/dbraw/zinc/43/74/14/1138437414.db2.gz KBJKALNGJVIRRU-UHFFFAOYSA-N 1 0 320.433 2.446 20 10 DECDRO CC(C)(C)[N@@H+](Cc1cc2ccccc2cc1O)C[C@@H](O)CO ZINC001236825721 1138440941 /nfs/dbraw/zinc/44/09/41/1138440941.db2.gz DMUCVXAJMQTAKD-MRXNPFEDSA-N 1 0 303.402 2.499 20 10 DECDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236833070 1138441649 /nfs/dbraw/zinc/44/16/49/1138441649.db2.gz NVXBZDAXSJAHTH-UHFFFAOYSA-N 1 0 323.352 2.305 20 10 DECDRO CC[N@H+](CCC(N)=O)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237055576 1138491320 /nfs/dbraw/zinc/49/13/20/1138491320.db2.gz GPCDMQGOLQKGQZ-UHFFFAOYSA-N 1 0 320.311 2.031 20 10 DECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@@H]1O ZINC001237119676 1138507003 /nfs/dbraw/zinc/50/70/03/1138507003.db2.gz JUWKFSLZTBYUPA-KOLCDFICSA-N 1 0 305.296 2.494 20 10 DECDRO OCCC[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237204995 1138532973 /nfs/dbraw/zinc/53/29/73/1138532973.db2.gz JUFNPTIOIVZYTJ-UHFFFAOYSA-N 1 0 304.312 2.090 20 10 DECDRO Cc1cc(N2CC[NH+](Cc3c(C)cccc3O)CC2)nc(C)n1 ZINC001237489660 1138655978 /nfs/dbraw/zinc/65/59/78/1138655978.db2.gz JPHNYSFTKQGYML-UHFFFAOYSA-N 1 0 312.417 2.430 20 10 DECDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237495202 1138657705 /nfs/dbraw/zinc/65/77/05/1138657705.db2.gz NDMRULZFVJIBFQ-ZDUSSCGKSA-N 1 0 315.373 2.153 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237669783 1138745840 /nfs/dbraw/zinc/74/58/40/1138745840.db2.gz NJQGDROEVHHTBM-YVEFUNNKSA-N 1 0 309.406 2.392 20 10 DECDRO CCCC[NH+]1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676599 1138749439 /nfs/dbraw/zinc/74/94/39/1138749439.db2.gz QGIKONQIGWLINC-UHFFFAOYSA-N 1 0 308.422 2.327 20 10 DECDRO Cc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)cc1Br ZINC001237684189 1138755852 /nfs/dbraw/zinc/75/58/52/1138755852.db2.gz HQZCWDFQRJIELU-GFCCVEGCSA-N 1 0 311.223 2.353 20 10 DECDRO CC(C)(C)NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001278254984 1138861236 /nfs/dbraw/zinc/86/12/36/1138861236.db2.gz KWOIMPMSHINRFK-PXAZEXFGSA-N 1 0 306.381 2.410 20 10 DECDRO Cn1c(=O)ccc2ccc(-c3ccc(N4CC[NH2+]CC4)nc3)cc21 ZINC001240491999 1139386934 /nfs/dbraw/zinc/38/69/34/1139386934.db2.gz VUBUCQYUGPDIPH-UHFFFAOYSA-N 1 0 320.396 2.010 20 10 DECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001319839996 1140757170 /nfs/dbraw/zinc/75/71/70/1140757170.db2.gz RGZSQIZDBAMSIS-GOEBONIOSA-N 1 0 321.440 2.235 20 10 DECDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320975724 1141014325 /nfs/dbraw/zinc/01/43/25/1141014325.db2.gz RQTFWQJCUQEWEL-HOTGVXAUSA-N 1 0 321.440 2.235 20 10 DECDRO C[C@@H]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC001246789842 1141060727 /nfs/dbraw/zinc/06/07/27/1141060727.db2.gz KFKZNZFKCYUKSJ-QAPCUYQASA-N 1 0 303.450 2.096 20 10 DECDRO C[C@H]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC001246789844 1141061724 /nfs/dbraw/zinc/06/17/24/1141061724.db2.gz KFKZNZFKCYUKSJ-YJBOKZPZSA-N 1 0 303.450 2.096 20 10 DECDRO COc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c(O)c1 ZINC001321196006 1141081741 /nfs/dbraw/zinc/08/17/41/1141081741.db2.gz JTOAKPXXABWAMA-CABCVRRESA-N 1 0 321.421 2.073 20 10 DECDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001324120225 1142011229 /nfs/dbraw/zinc/01/12/29/1142011229.db2.gz AYNSJPDPEJHJNI-ZFWWWQNUSA-N 1 0 320.433 2.410 20 10 DECDRO CCC[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)OC ZINC001324458553 1142080573 /nfs/dbraw/zinc/08/05/73/1142080573.db2.gz BUVSOGLMPXAHMB-MRXNPFEDSA-N 1 0 323.456 2.482 20 10 DECDRO COc1ccc(C[NH2+]CCc2nc(C(C)C)no2)c(O)c1OC ZINC001336709741 1142542827 /nfs/dbraw/zinc/54/28/27/1142542827.db2.gz LVOKLWKJVIMKQT-UHFFFAOYSA-N 1 0 321.377 2.248 20 10 DECDRO [NH3+]CC[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001336762982 1142563327 /nfs/dbraw/zinc/56/33/27/1142563327.db2.gz LCKIJMYVEUDBDH-INIZCTEOSA-N 1 0 316.449 2.167 20 10 DECDRO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337017662 1142661635 /nfs/dbraw/zinc/66/16/35/1142661635.db2.gz AUXFOKCVXLJSEE-UHFFFAOYSA-N 1 0 304.438 2.285 20 10 DECDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001253826939 1142962595 /nfs/dbraw/zinc/96/25/95/1142962595.db2.gz CCIYSJIJPQHLAC-MRXNPFEDSA-N 1 0 313.397 2.499 20 10 DECDRO COc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(C)c2O)c1 ZINC001253978215 1143017803 /nfs/dbraw/zinc/01/78/03/1143017803.db2.gz NOQXBMXEWOAMQC-OAHLLOKOSA-N 1 0 317.385 2.239 20 10 DECDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254328670 1143083268 /nfs/dbraw/zinc/08/32/68/1143083268.db2.gz WCQCZAKMSYRURL-MLGOLLRUSA-N 1 0 323.458 2.409 20 10 DECDRO C[C@@H](NC(=O)CC(C)(C)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001340064296 1143250927 /nfs/dbraw/zinc/25/09/27/1143250927.db2.gz SJEZORYUOODDRQ-CQSZACIVSA-N 1 0 319.449 2.075 20 10 DECDRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1cccc3c1CCN3)CCO2 ZINC001340736817 1143422564 /nfs/dbraw/zinc/42/25/64/1143422564.db2.gz WNIWTNBDTFALIE-UHFFFAOYSA-N 1 0 309.369 2.153 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H]([NH3+])C(C)(C)C)cc1 ZINC001342061873 1143778463 /nfs/dbraw/zinc/77/84/63/1143778463.db2.gz ZXTBFHYQTXDOBW-INIZCTEOSA-N 1 0 321.465 2.353 20 10 DECDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2ccc(O)c(O)c2)([NH+](C)C)C1 ZINC001291949797 1146848693 /nfs/dbraw/zinc/84/86/93/1146848693.db2.gz ZPXBIJGVNMFDEM-FZKQIMNGSA-N 1 0 320.433 2.267 20 10 DECDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001301481528 1147292327 /nfs/dbraw/zinc/29/23/27/1147292327.db2.gz NUXPVPNHZWBXHQ-HIFRSBDPSA-N 1 0 320.433 2.219 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)C1(S(C)(=O)=O)CC1 ZINC001308755675 1147485013 /nfs/dbraw/zinc/48/50/13/1147485013.db2.gz LLNNWMANXDWLOU-VIFPVBQESA-N 1 0 303.811 2.101 20 10 DECDRO COc1cc(C)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC001308871362 1147488346 /nfs/dbraw/zinc/48/83/46/1147488346.db2.gz CTYDJIIGYCPEOX-CYBMUJFWSA-N 1 0 320.433 2.446 20 10 DECDRO COc1cc(C)c(C[NH2+]CCc2ccc(OC)nc2)c(O)c1 ZINC001308893591 1147489193 /nfs/dbraw/zinc/48/91/93/1147489193.db2.gz WOXZBWPVPPCGJA-UHFFFAOYSA-N 1 0 302.374 2.445 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c1 ZINC001474663840 1147711831 /nfs/dbraw/zinc/71/18/31/1147711831.db2.gz OUINFMQAYFYTEZ-HKZYLEAXSA-N 1 0 309.431 2.195 20 10 DECDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(O)cccc1Cl ZINC000289846049 291067364 /nfs/dbraw/zinc/06/73/64/291067364.db2.gz UUMQXFSYURVDTN-QWHCGFSZSA-N 1 0 310.825 2.341 20 10 DECDRO O=C1NC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CCN12 ZINC000091864487 355611370 /nfs/dbraw/zinc/61/13/70/355611370.db2.gz KDCQCCNSTKIFAO-QGZVFWFLSA-N 1 0 323.396 2.269 20 10 DECDRO COCC[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000093005749 355662934 /nfs/dbraw/zinc/66/29/34/355662934.db2.gz QSQLHTVDGWKCHE-UHFFFAOYSA-N 1 0 301.386 2.500 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000579091592 356919238 /nfs/dbraw/zinc/91/92/38/356919238.db2.gz XHRCHTIOOQRBRV-ZDUSSCGKSA-N 1 0 300.406 2.038 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1([NH3+])CCCCC1 ZINC000581133797 357137349 /nfs/dbraw/zinc/13/73/49/357137349.db2.gz FGWMDXKHMNIJBE-UHFFFAOYSA-N 1 0 303.406 2.140 20 10 DECDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595932617 358583358 /nfs/dbraw/zinc/58/33/58/358583358.db2.gz BFRIZVMNLVZGNM-UHFFFAOYSA-N 1 0 323.352 2.443 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856652 193118978 /nfs/dbraw/zinc/11/89/78/193118978.db2.gz YFQUYWQZROOXJP-GOEBONIOSA-N 1 0 309.431 2.497 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c(O)c1 ZINC000093361094 193238755 /nfs/dbraw/zinc/23/87/55/193238755.db2.gz NYKOCIVIWALPBK-AWEZNQCLSA-N 1 0 306.406 2.139 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)NCC3C[NH2+]C3)c2C)cc1 ZINC000261928960 533209660 /nfs/dbraw/zinc/20/96/60/533209660.db2.gz CHHQSKSFCZXELN-UHFFFAOYSA-N 1 0 313.401 2.052 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C[NH3+])c2C)cc1 ZINC000262528184 533210041 /nfs/dbraw/zinc/21/00/41/533210041.db2.gz MFTNMLJAPJNHRL-NSHDSACASA-N 1 0 301.390 2.180 20 10 DECDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000274647064 130252777 /nfs/dbraw/zinc/25/27/77/130252777.db2.gz KTCUJSOCGYCSKS-OAHLLOKOSA-N 1 0 311.422 2.421 20 10 DECDRO Cc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000274891357 130270043 /nfs/dbraw/zinc/27/00/43/130270043.db2.gz DPJYCFJGKAAXBC-UHFFFAOYSA-N 1 0 313.401 2.222 20 10 DECDRO CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000276688229 130534929 /nfs/dbraw/zinc/53/49/29/130534929.db2.gz UKEAWTWCHUKIIA-UHFFFAOYSA-N 1 0 323.440 2.371 20 10 DECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286986906 131259268 /nfs/dbraw/zinc/25/92/68/131259268.db2.gz GWOUIDNCIOTARM-LGVMCUBASA-N 1 0 316.401 2.196 20 10 DECDRO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(O)c1O ZINC000288579223 131331745 /nfs/dbraw/zinc/33/17/45/131331745.db2.gz XHLUEBLAFHHHNV-STQMWFEESA-N 1 0 304.390 2.105 20 10 DECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000289079340 131356655 /nfs/dbraw/zinc/35/66/55/131356655.db2.gz OAHQUZALSWOWCS-GXTWGEPZSA-N 1 0 304.390 2.180 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)CCC(N)=O)c(C(F)(F)F)c1 ZINC000289542529 131394820 /nfs/dbraw/zinc/39/48/20/131394820.db2.gz IBWPVUHVMXPQCQ-UHFFFAOYSA-N 1 0 303.328 2.079 20 10 DECDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000289717085 131409667 /nfs/dbraw/zinc/40/96/67/131409667.db2.gz JKYICHMCRHSBLB-CQSZACIVSA-N 1 0 300.406 2.140 20 10 DECDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075540372 401762441 /nfs/dbraw/zinc/76/24/41/401762441.db2.gz PTPVCGOFRPDJNO-KRWDZBQOSA-N 1 0 318.465 2.378 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000026417420 401840426 /nfs/dbraw/zinc/84/04/26/401840426.db2.gz KRNQVHXWRABQQP-PMACEKPBSA-N 1 0 324.424 2.476 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000134006217 401897763 /nfs/dbraw/zinc/89/77/63/401897763.db2.gz GQCJQKUPXQWRBZ-JKSUJKDBSA-N 1 0 314.433 2.459 20 10 DECDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000119854420 401968890 /nfs/dbraw/zinc/96/88/90/401968890.db2.gz MRSFDAGJGJQZAR-DZGCQCFKSA-N 1 0 316.449 2.177 20 10 DECDRO COc1cccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC000121962542 402057827 /nfs/dbraw/zinc/05/78/27/402057827.db2.gz PDGJGOUZTRNMTJ-UHFFFAOYSA-N 1 0 313.401 2.114 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915471 402309164 /nfs/dbraw/zinc/30/91/64/402309164.db2.gz LTPPNSAZHZYAJD-WMLDXEAASA-N 1 0 322.449 2.408 20 10 DECDRO COc1ccc(N2CCC[N@H+](Cc3cncn3C)CC2)cc1 ZINC000177017195 402359717 /nfs/dbraw/zinc/35/97/17/402359717.db2.gz HRHUXWZNOZSMDL-UHFFFAOYSA-N 1 0 300.406 2.141 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000187165203 402485868 /nfs/dbraw/zinc/48/58/68/402485868.db2.gz UGNDMLRFAJZBAP-GZBFAFLISA-N 1 0 316.401 2.044 20 10 DECDRO COc1ccc(N2CCCN(Cc3csnn3)CC2)cc1 ZINC000179550586 402594704 /nfs/dbraw/zinc/59/47/04/402594704.db2.gz SCONOSDHGNUNLM-UHFFFAOYSA-N 1 0 304.419 2.259 20 10 DECDRO Cc1cccc(C[N@H+](CCO)CCOCC(F)(F)F)c1O ZINC000180184731 402609775 /nfs/dbraw/zinc/60/97/75/402609775.db2.gz VQUBRLXSRNCINC-UHFFFAOYSA-N 1 0 307.312 2.074 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)CSC)ccc1OC ZINC000172634876 402667340 /nfs/dbraw/zinc/66/73/40/402667340.db2.gz SQAJFWWUGFQEOF-MRXNPFEDSA-N 1 0 313.463 2.435 20 10 DECDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000173428408 402697195 /nfs/dbraw/zinc/69/71/95/402697195.db2.gz BMRLGNADBOQBAG-CYBMUJFWSA-N 1 0 306.406 2.285 20 10 DECDRO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514770 402744287 /nfs/dbraw/zinc/74/42/87/402744287.db2.gz JURIAJCXJJRZEE-GDBMZVCRSA-N 1 0 321.440 2.235 20 10 DECDRO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514779 402744755 /nfs/dbraw/zinc/74/47/55/402744755.db2.gz JURIAJCXJJRZEE-GOEBONIOSA-N 1 0 321.440 2.235 20 10 DECDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000192869903 402754261 /nfs/dbraw/zinc/75/42/61/402754261.db2.gz FYRDSQNGWRDOCM-CYBMUJFWSA-N 1 0 316.357 2.258 20 10 DECDRO O=C(NCCCCC[NH+]1CCCCC1)c1cccc(O)c1O ZINC000193063240 402763176 /nfs/dbraw/zinc/76/31/76/402763176.db2.gz TYWQMMBQCPGCAW-UHFFFAOYSA-N 1 0 306.406 2.484 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCSC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278434311 402866280 /nfs/dbraw/zinc/86/62/80/402866280.db2.gz UNSAADYPETVGKA-SNVBAGLBSA-N 1 0 312.391 2.494 20 10 DECDRO COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472483 402866542 /nfs/dbraw/zinc/86/65/42/402866542.db2.gz HOOOCSJVROVMDA-CHWSQXEVSA-N 1 0 323.393 2.271 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000279708448 402961030 /nfs/dbraw/zinc/96/10/30/402961030.db2.gz SQTRPQNICCLEHG-LLVKDONJSA-N 1 0 315.339 2.079 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c(O)c1 ZINC000281249259 403061920 /nfs/dbraw/zinc/06/19/20/403061920.db2.gz XEGYTHOEEUIXAT-KRWDZBQOSA-N 1 0 306.406 2.139 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000281679620 403081070 /nfs/dbraw/zinc/08/10/70/403081070.db2.gz FENBICZWWBEEOF-LJQANCHMSA-N 1 0 303.811 2.055 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)cc1 ZINC000268925999 403121227 /nfs/dbraw/zinc/12/12/27/403121227.db2.gz WAMHFEVACCZEDX-DYVFJYSZSA-N 1 0 302.422 2.260 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1F ZINC000269227911 403124696 /nfs/dbraw/zinc/12/46/96/403124696.db2.gz AYQALMLXHGNAHM-BMFZPTHFSA-N 1 0 319.424 2.429 20 10 DECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000276381412 403169030 /nfs/dbraw/zinc/16/90/30/403169030.db2.gz AQYKOYRKUQKWEJ-DGCLKSJQSA-N 1 0 323.389 2.040 20 10 DECDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC000271162598 403271339 /nfs/dbraw/zinc/27/13/39/403271339.db2.gz YLDDEVZNFIPEGT-GJZGRUSLSA-N 1 0 320.433 2.064 20 10 DECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(O)c1 ZINC000293882829 403590687 /nfs/dbraw/zinc/59/06/87/403590687.db2.gz VMBCMOGSNFVFJJ-SNVBAGLBSA-N 1 0 304.312 2.338 20 10 DECDRO COCCOC1(C[NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000294904200 403737762 /nfs/dbraw/zinc/73/77/62/403737762.db2.gz XMTCTFPCNFJFDF-UHFFFAOYSA-N 1 0 309.406 2.002 20 10 DECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1cccc(F)c1 ZINC000295046823 403742422 /nfs/dbraw/zinc/74/24/22/403742422.db2.gz FHONTNAOSPFOLB-KRWDZBQOSA-N 1 0 301.361 2.454 20 10 DECDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295161661 403779849 /nfs/dbraw/zinc/77/98/49/403779849.db2.gz SGPRSVKGZZYNHQ-ZFWWWQNUSA-N 1 0 317.433 2.386 20 10 DECDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000361781760 403861976 /nfs/dbraw/zinc/86/19/76/403861976.db2.gz DPBFFVDMQSAJLQ-LSDHHAIUSA-N 1 0 310.825 2.389 20 10 DECDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000362045172 403920155 /nfs/dbraw/zinc/92/01/55/403920155.db2.gz KMEIBFRKSXIOQR-GFCCVEGCSA-N 1 0 309.797 2.035 20 10 DECDRO CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295437793 403924630 /nfs/dbraw/zinc/92/46/30/403924630.db2.gz UGHABOBKUSIYDC-VIFPVBQESA-N 1 0 323.817 2.440 20 10 DECDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290249279 404097345 /nfs/dbraw/zinc/09/73/45/404097345.db2.gz UCCKGNJVZSSLPD-AEFFLSMTSA-N 1 0 315.461 2.319 20 10 DECDRO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000296005944 404048486 /nfs/dbraw/zinc/04/84/86/404048486.db2.gz QSVYLVKXTKSNKV-SFHVURJKSA-N 1 0 305.466 2.250 20 10 DECDRO COc1c([O-])c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365821538 404726399 /nfs/dbraw/zinc/72/63/99/404726399.db2.gz LGGTYWWYMGGKSK-OLZOCXBDSA-N 1 0 321.377 2.025 20 10 DECDRO CCN(CC)c1ccc(CN2CCNC(=O)C[C@H]2C)cc1F ZINC000367668159 405119128 /nfs/dbraw/zinc/11/91/28/405119128.db2.gz GVLCOBDTTUVELI-CYBMUJFWSA-N 1 0 307.413 2.382 20 10 DECDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710615 224870426 /nfs/dbraw/zinc/87/04/26/224870426.db2.gz DDXSTWOIGSTFBS-HZPDHXFCSA-N 1 0 301.434 2.421 20 10 DECDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000268185976 225377944 /nfs/dbraw/zinc/37/79/44/225377944.db2.gz UKVFIYAUNKHPGW-IUODEOHRSA-N 1 0 303.406 2.016 20 10 DECDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418105352 229223519 /nfs/dbraw/zinc/22/35/19/229223519.db2.gz ZKYAZPCGMJTWDF-TZMCWYRMSA-N 1 0 314.433 2.426 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(N(C)C)cc1 ZINC000834849986 649854135 /nfs/dbraw/zinc/85/41/35/649854135.db2.gz HXZUZOZIZKXXPW-QAPCUYQASA-N 1 0 305.466 2.250 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000834914289 649859696 /nfs/dbraw/zinc/85/96/96/649859696.db2.gz LSWOYNNMFGYWBQ-YWPYICTPSA-N 1 0 304.390 2.205 20 10 DECDRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)NC ZINC000834911256 649859743 /nfs/dbraw/zinc/85/97/43/649859743.db2.gz IPBUUCWEIJCNEJ-KCJUWKMLSA-N 1 0 315.211 2.330 20 10 DECDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159137891 276078056 /nfs/dbraw/zinc/07/80/56/276078056.db2.gz HBALTBHNJRGRDN-KRWDZBQOSA-N 1 0 314.385 2.407 20 10 DECDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000236675671 278552005 /nfs/dbraw/zinc/55/20/05/278552005.db2.gz XCKZDVREXRVWRX-QGZVFWFLSA-N 1 0 301.434 2.291 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCO)c1O ZINC000186937929 301070507 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MPPINLMIGDIRIK-LBPRGKRZSA-N 1 0 323.824 2.344 20 10 DECDRO Cc1cc(O)c(CN2CC[NH+](CC(C)(C)O)CC2)c(Cl)c1 ZINC000840915680 650379845 /nfs/dbraw/zinc/37/98/45/650379845.db2.gz LAVIVVDLASNONN-UHFFFAOYSA-N 1 0 312.841 2.243 20 10 DECDRO CCN(C)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000741752616 638008505 /nfs/dbraw/zinc/00/85/05/638008505.db2.gz CSPNTGPUMAGUNQ-UHFFFAOYSA-N 1 0 311.433 2.255 20 10 DECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840948826 650393780 /nfs/dbraw/zinc/39/37/80/650393780.db2.gz ISOXZEUXWUCAAC-INIZCTEOSA-N 1 0 308.397 2.394 20 10 DECDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000895707412 638154121 /nfs/dbraw/zinc/15/41/21/638154121.db2.gz LMWXKRACPHSBBZ-SBDDDAINSA-N 1 0 305.296 2.325 20 10 DECDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000895712225 638157656 /nfs/dbraw/zinc/15/76/56/638157656.db2.gz ZIHWBXSRITYDSZ-URWSZGRFSA-N 1 0 323.286 2.465 20 10 DECDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000895712222 638158235 /nfs/dbraw/zinc/15/82/35/638158235.db2.gz ZIHWBXSRITYDSZ-CFHLNLSMSA-N 1 0 323.286 2.465 20 10 DECDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139032 638182314 /nfs/dbraw/zinc/18/23/14/638182314.db2.gz HODUBAOFKVSZQW-RDJZCZTQSA-N 1 0 322.474 2.200 20 10 DECDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895819465 638215678 /nfs/dbraw/zinc/21/56/78/638215678.db2.gz JUGRTZPSAQKVME-SNVBAGLBSA-N 1 0 320.414 2.384 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c(O)c1OC ZINC000895931051 638272147 /nfs/dbraw/zinc/27/21/47/638272147.db2.gz FSQZSKLGQDQNFP-FPMFFAJLSA-N 1 0 307.390 2.457 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc3c2OCO3)cc1 ZINC000841039879 650411750 /nfs/dbraw/zinc/41/17/50/650411750.db2.gz DQUCETNPUXVMEN-MRXNPFEDSA-N 1 0 313.401 2.271 20 10 DECDRO CCOc1ccc(C[NH2+]CCCNCc2cccnc2)c(O)c1 ZINC000841041019 650412130 /nfs/dbraw/zinc/41/21/30/650412130.db2.gz ALNFDPKEVTYYLD-UHFFFAOYSA-N 1 0 315.417 2.455 20 10 DECDRO COc1c(O)cccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046123 650413802 /nfs/dbraw/zinc/41/38/02/650413802.db2.gz WQUOQJYTCMAETK-INIZCTEOSA-N 1 0 315.417 2.256 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000896433389 638512315 /nfs/dbraw/zinc/51/23/15/638512315.db2.gz XBDMCSKLYSYOEM-CABCVRRESA-N 1 0 308.447 2.070 20 10 DECDRO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3[O-])CC2)C1 ZINC000841104067 650432306 /nfs/dbraw/zinc/43/23/06/650432306.db2.gz MYFDALYZQBWBIF-HOCLYGCPSA-N 1 0 308.397 2.250 20 10 DECDRO COc1ccc(O)c(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000896878552 638750630 /nfs/dbraw/zinc/75/06/30/638750630.db2.gz IOSVXNVSWJHMMM-CYBMUJFWSA-N 1 0 306.328 2.373 20 10 DECDRO CN(Cc1ccccc1O)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841322283 650474527 /nfs/dbraw/zinc/47/45/27/650474527.db2.gz SOZHFFUYGVVGDL-UHFFFAOYSA-N 1 0 312.373 2.097 20 10 DECDRO COc1cc([N+](=O)[O-])c(N2CCC23CC[NH+](C)CC3)cc1OC ZINC000897133233 639199558 /nfs/dbraw/zinc/19/95/58/639199558.db2.gz HYJJBWQENZPHFP-UHFFFAOYSA-N 1 0 321.377 2.287 20 10 DECDRO Cn1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000788018852 639235882 /nfs/dbraw/zinc/23/58/82/639235882.db2.gz FWPZGUSGMMFSAB-INIZCTEOSA-N 1 0 301.390 2.307 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1 ZINC000753625388 639322498 /nfs/dbraw/zinc/32/24/98/639322498.db2.gz QAJPCQSXCGNJSV-ACJLOTCBSA-N 1 0 322.424 2.444 20 10 DECDRO COc1cc(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)cc(OC)c1OC ZINC000754151447 639394265 /nfs/dbraw/zinc/39/42/65/639394265.db2.gz ZLDTVAKYOVYAOU-KGLIPLIRSA-N 1 0 320.433 2.490 20 10 DECDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000756096618 639625141 /nfs/dbraw/zinc/62/51/41/639625141.db2.gz BHLQAIYTEATAIN-PBHICJAKSA-N 1 0 305.491 2.280 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756537793 639670606 /nfs/dbraw/zinc/67/06/06/639670606.db2.gz ZWARAXXGJAPANW-KOLCDFICSA-N 1 0 301.383 2.104 20 10 DECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756592946 639678067 /nfs/dbraw/zinc/67/80/67/639678067.db2.gz KFHIRWXMUBMDQJ-ONGXEEELSA-N 1 0 318.211 2.203 20 10 DECDRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(F)ccc1O ZINC000756777990 639694071 /nfs/dbraw/zinc/69/40/71/639694071.db2.gz ANGRFUXMGBDEML-LLVKDONJSA-N 1 0 315.410 2.397 20 10 DECDRO CN(C)c1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)cc1 ZINC000839673103 639800567 /nfs/dbraw/zinc/80/05/67/639800567.db2.gz DPVIKJWZNIZEJL-UHFFFAOYSA-N 1 0 305.466 2.295 20 10 DECDRO CC[N@H+](CCNC(=O)c1cccc(O)c1O)CCC(F)(F)F ZINC000757614335 639859792 /nfs/dbraw/zinc/85/97/92/639859792.db2.gz PEFTTZWBTTZHQD-UHFFFAOYSA-N 1 0 320.311 2.102 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000841655656 650531052 /nfs/dbraw/zinc/53/10/52/650531052.db2.gz SXPKTWZWQSTKKM-HNNXBMFYSA-N 1 0 304.438 2.084 20 10 DECDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000841656128 650531146 /nfs/dbraw/zinc/53/11/46/650531146.db2.gz WRNXONWBLHSVAX-GOEBONIOSA-N 1 0 304.438 2.069 20 10 DECDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710492 650547854 /nfs/dbraw/zinc/54/78/54/650547854.db2.gz XFFUMHSXSSMTJI-ZBFHGGJFSA-N 1 0 316.449 2.166 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000841718508 650550571 /nfs/dbraw/zinc/55/05/71/650550571.db2.gz UAWAUFCZZJNUKK-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841761285 650558745 /nfs/dbraw/zinc/55/87/45/650558745.db2.gz ONSPGVITXGMFHU-JSGCOSHPSA-N 1 0 322.428 2.161 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841770560 650560668 /nfs/dbraw/zinc/56/06/68/650560668.db2.gz IPSAKYZMIMSFJW-UHFFFAOYSA-N 1 0 318.465 2.375 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(F)F)C2)cc1C ZINC000987696596 640259827 /nfs/dbraw/zinc/25/98/27/640259827.db2.gz PVOKGUGQQXJIGP-WCQYABFASA-N 1 0 312.360 2.348 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000841799565 650567339 /nfs/dbraw/zinc/56/73/39/650567339.db2.gz XVTIOQANRBECNL-CQSZACIVSA-N 1 0 322.428 2.305 20 10 DECDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000841827117 650572943 /nfs/dbraw/zinc/57/29/43/650572943.db2.gz LPPMHAQRFPQLHG-QGZVFWFLSA-N 1 0 318.465 2.345 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000841829136 650573839 /nfs/dbraw/zinc/57/38/39/650573839.db2.gz XYRPQZCUKGNKTA-HOCLYGCPSA-N 1 0 318.465 2.330 20 10 DECDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000841880645 650591307 /nfs/dbraw/zinc/59/13/07/650591307.db2.gz FLMUSIOKLGBROB-DVOMOZLQSA-N 1 0 304.438 2.111 20 10 DECDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841882197 650592106 /nfs/dbraw/zinc/59/21/06/650592106.db2.gz XLJLPBHAFJBEOB-WWGRRREGSA-N 1 0 304.438 2.192 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCCC[NH2+]1 ZINC000841921176 650602724 /nfs/dbraw/zinc/60/27/24/650602724.db2.gz SLBCVTXRAHPTSE-CQSZACIVSA-N 1 0 317.433 2.212 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841938975 650606475 /nfs/dbraw/zinc/60/64/75/650606475.db2.gz RVIKSVIRVPSFDU-OAHLLOKOSA-N 1 0 318.465 2.284 20 10 DECDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979460 640836465 /nfs/dbraw/zinc/83/64/65/640836465.db2.gz UHPBXAAFPZFQBL-LSDHHAIUSA-N 1 0 324.490 2.446 20 10 DECDRO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841958827 650612757 /nfs/dbraw/zinc/61/27/57/650612757.db2.gz TWYOLUWUILYVKI-VXGBXAGGSA-N 1 0 309.410 2.279 20 10 DECDRO C[C@@H](C[NH3+])CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841963997 650614318 /nfs/dbraw/zinc/61/43/18/650614318.db2.gz ZCRSLCAWGQRDHT-ZETCQYMHSA-N 1 0 306.193 2.093 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841965206 650615394 /nfs/dbraw/zinc/61/53/94/650615394.db2.gz FAVJWVDVUJZYSA-HNNXBMFYSA-N 1 0 305.422 2.441 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000841985273 650619648 /nfs/dbraw/zinc/61/96/48/650619648.db2.gz AUYBTRXZTRORNC-PBHICJAKSA-N 1 0 318.465 2.282 20 10 DECDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccccc1O)CCO2 ZINC000898001414 640989238 /nfs/dbraw/zinc/98/92/38/640989238.db2.gz NPMIBVOWKPVSFB-IAGOWNOFSA-N 1 0 307.390 2.184 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)NC/C=C\C[NH3+])cc1 ZINC000841998482 650623115 /nfs/dbraw/zinc/62/31/15/650623115.db2.gz YPJYKQDGNTWIOB-SREVYHEPSA-N 1 0 304.438 2.189 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C)cc1O ZINC000897989974 640997043 /nfs/dbraw/zinc/99/70/43/640997043.db2.gz LQYNQHMQHPSUKU-ZDUSSCGKSA-N 1 0 315.373 2.308 20 10 DECDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1O ZINC000898152591 641038379 /nfs/dbraw/zinc/03/83/79/641038379.db2.gz LSDCBIGTYTVCKG-TZMCWYRMSA-N 1 0 314.389 2.207 20 10 DECDRO CN(C)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000768191564 641058272 /nfs/dbraw/zinc/05/82/72/641058272.db2.gz JDLKRXPPKCLETE-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768190840 641058495 /nfs/dbraw/zinc/05/84/95/641058495.db2.gz BMHKNQLVUZJYNG-ZDUSSCGKSA-N 1 0 310.825 2.342 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000768841591 641132364 /nfs/dbraw/zinc/13/23/64/641132364.db2.gz KZQQJDLPYXGBDL-CYBMUJFWSA-N 1 0 305.374 2.325 20 10 DECDRO C/C=C\C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769123265 641180094 /nfs/dbraw/zinc/18/00/94/641180094.db2.gz YIDWCACULNONLW-IHWYPQMZSA-N 1 0 313.445 2.411 20 10 DECDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000769336887 641219863 /nfs/dbraw/zinc/21/98/63/641219863.db2.gz CZIRVTOMSVXWDE-UHFFFAOYSA-N 1 0 306.450 2.364 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1F ZINC000769420756 641237271 /nfs/dbraw/zinc/23/72/71/641237271.db2.gz UKDBWYXFCQOWMV-CQSZACIVSA-N 1 0 306.381 2.426 20 10 DECDRO Cc1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000771825016 641555916 /nfs/dbraw/zinc/55/59/16/641555916.db2.gz UTTLRWWYZBRHCV-UHFFFAOYSA-N 1 0 300.406 2.025 20 10 DECDRO CC[C@@H](C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000771847901 641560578 /nfs/dbraw/zinc/56/05/78/641560578.db2.gz QGXYMAKWYLKBCP-CQSZACIVSA-N 1 0 310.463 2.057 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cnnn1C ZINC000924706399 641607439 /nfs/dbraw/zinc/60/74/39/641607439.db2.gz HDQIZFFDCZPJBG-ZDUSSCGKSA-N 1 0 317.462 2.219 20 10 DECDRO Cc1nnc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898448451 641661098 /nfs/dbraw/zinc/66/10/98/641661098.db2.gz SRAVPZAMVSHDQA-OAHLLOKOSA-N 1 0 319.478 2.305 20 10 DECDRO COC(=O)C1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000898611141 641726326 /nfs/dbraw/zinc/72/63/26/641726326.db2.gz RJTGJXXQMJJLLL-UHFFFAOYSA-N 1 0 323.389 2.231 20 10 DECDRO COC(=O)C1CCC([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000898611971 641726846 /nfs/dbraw/zinc/72/68/46/641726846.db2.gz ZPHYWEMVEFZGBN-UHFFFAOYSA-N 1 0 323.389 2.231 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000773749890 641818986 /nfs/dbraw/zinc/81/89/86/641818986.db2.gz IQABMTUSSSJNPG-QGZVFWFLSA-N 1 0 303.450 2.491 20 10 DECDRO CCN(C)c1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1 ZINC000773771149 641823016 /nfs/dbraw/zinc/82/30/16/641823016.db2.gz GNUKYMMFXAVNGD-UHFFFAOYSA-N 1 0 305.466 2.031 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000773887055 641836690 /nfs/dbraw/zinc/83/66/90/641836690.db2.gz ABQWYHILLBVEJD-BHYGNILZSA-N 1 0 301.434 2.229 20 10 DECDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(N)=O)c1ccc(N(C)C)cc1 ZINC000774480041 641908736 /nfs/dbraw/zinc/90/87/36/641908736.db2.gz YVQHQCMPRRKLPY-KBXCAEBGSA-N 1 0 311.429 2.500 20 10 DECDRO COC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255803 642022501 /nfs/dbraw/zinc/02/25/01/642022501.db2.gz QZOVNQSZCHNPLH-CQSZACIVSA-N 1 0 306.406 2.127 20 10 DECDRO COc1ccc(N(C)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000775950173 642116284 /nfs/dbraw/zinc/11/62/84/642116284.db2.gz XLGLSNRUUYNLQL-GASCZTMLSA-N 1 0 306.406 2.003 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000776252069 642149309 /nfs/dbraw/zinc/14/93/09/642149309.db2.gz MVZHEKGREACBQO-HNNXBMFYSA-N 1 0 305.349 2.233 20 10 DECDRO CCCc1nnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000777515611 642274214 /nfs/dbraw/zinc/27/42/14/642274214.db2.gz LPGRJECDDJAILT-UHFFFAOYSA-N 1 0 315.421 2.386 20 10 DECDRO C[C@]12CSC[C@H]1C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000902675174 643105267 /nfs/dbraw/zinc/10/52/67/643105267.db2.gz PWRORWQJVIPKGJ-XFJVYGCCSA-N 1 0 307.415 2.003 20 10 DECDRO CCOc1cccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000842758745 650818997 /nfs/dbraw/zinc/81/89/97/650818997.db2.gz OCQKXRULRQELTL-KRWDZBQOSA-N 1 0 309.406 2.058 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1OC ZINC000785989165 643308762 /nfs/dbraw/zinc/30/87/62/643308762.db2.gz SXBMHIDBIORORR-OBJOEFQTSA-N 1 0 309.406 2.391 20 10 DECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000903345226 643320558 /nfs/dbraw/zinc/32/05/58/643320558.db2.gz ZAJJHMNNAIIJEW-KGLIPLIRSA-N 1 0 308.422 2.162 20 10 DECDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ccccc1O ZINC000903375649 643334230 /nfs/dbraw/zinc/33/42/30/643334230.db2.gz XCYBUMUKEKJADU-CYBMUJFWSA-N 1 0 307.390 2.091 20 10 DECDRO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccn(C)n1 ZINC000903447762 643354871 /nfs/dbraw/zinc/35/48/71/643354871.db2.gz CEPGSHBEVLMOSE-KBXCAEBGSA-N 1 0 315.465 2.440 20 10 DECDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccnnc1 ZINC000903449154 643355434 /nfs/dbraw/zinc/35/54/34/643355434.db2.gz VUCHTYRYFAMQDK-KBXCAEBGSA-N 1 0 313.449 2.496 20 10 DECDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CN3C[C@@H]2CCC3)N(C)C)cc1 ZINC000903449389 643355607 /nfs/dbraw/zinc/35/56/07/643355607.db2.gz YGEDADJZOPPMFU-YTQUADARSA-N 1 0 316.493 2.039 20 10 DECDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000903804219 643468322 /nfs/dbraw/zinc/46/83/22/643468322.db2.gz BBHNMPAOUNIKFC-IEBWSBKVSA-N 1 0 315.461 2.227 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1F ZINC000788534678 643621034 /nfs/dbraw/zinc/62/10/34/643621034.db2.gz IBZWWDHGVGSNMA-DYVFJYSZSA-N 1 0 310.413 2.301 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)cc1 ZINC000905022536 643774159 /nfs/dbraw/zinc/77/41/59/643774159.db2.gz DWOIIGQBLFVBTR-QGZVFWFLSA-N 1 0 306.450 2.288 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905123491 643797399 /nfs/dbraw/zinc/79/73/99/643797399.db2.gz YXHYNLZTLPNVDZ-QGZVFWFLSA-N 1 0 306.450 2.207 20 10 DECDRO COc1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000792779070 644151911 /nfs/dbraw/zinc/15/19/11/644151911.db2.gz ZLNLNVIHUPLFQL-UHFFFAOYSA-N 1 0 321.421 2.073 20 10 DECDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000793247553 644214740 /nfs/dbraw/zinc/21/47/40/644214740.db2.gz QTUPAPNPXOARDO-GOSISDBHSA-N 1 0 322.424 2.399 20 10 DECDRO CCn1nccc1CN(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000793303318 644230793 /nfs/dbraw/zinc/23/07/93/644230793.db2.gz DEQPBXBBUNDHDD-UHFFFAOYSA-N 1 0 320.412 2.103 20 10 DECDRO COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c(O)c1 ZINC000793388470 644244693 /nfs/dbraw/zinc/24/46/93/644244693.db2.gz OSUAOGMMWPPSMC-UHFFFAOYSA-N 1 0 303.314 2.125 20 10 DECDRO COc1cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000794661124 644455596 /nfs/dbraw/zinc/45/55/96/644455596.db2.gz GQPCWDWDVQQNJA-SUMWQHHRSA-N 1 0 307.390 2.089 20 10 DECDRO COc1cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(O)cc1C ZINC000794696027 644462323 /nfs/dbraw/zinc/46/23/23/644462323.db2.gz UFSTWLQNUXBUJA-SFHVURJKSA-N 1 0 321.417 2.479 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000907272156 644488431 /nfs/dbraw/zinc/48/84/31/644488431.db2.gz FJXAFEKTIBSERM-AAEUAGOBSA-N 1 0 306.406 2.018 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000795688549 644620197 /nfs/dbraw/zinc/62/01/97/644620197.db2.gz GASYAMIVNDFSLK-ZBFHGGJFSA-N 1 0 320.433 2.004 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)c2c1c(F)ccc2O ZINC000795845044 644646647 /nfs/dbraw/zinc/64/66/47/644646647.db2.gz OKXKWAHJRUNEOH-VXNVDRBHSA-N 1 0 302.296 2.051 20 10 DECDRO OCCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000796453702 644739438 /nfs/dbraw/zinc/73/94/38/644739438.db2.gz LPCRRFZUNIBEIE-UHFFFAOYSA-N 1 0 304.434 2.308 20 10 DECDRO Cn1cc(-c2cc(CN3CCCc4cc(C[NH3+])ccc43)on2)cn1 ZINC000843350625 650955004 /nfs/dbraw/zinc/95/50/04/650955004.db2.gz QVFIJLGYAZJGAD-UHFFFAOYSA-N 1 0 323.400 2.487 20 10 DECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000797413210 644876922 /nfs/dbraw/zinc/87/69/22/644876922.db2.gz BMRFLGYQXXXWDS-SFHVURJKSA-N 1 0 320.433 2.353 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c(O)c1 ZINC000843414940 650969937 /nfs/dbraw/zinc/96/99/37/650969937.db2.gz HCZFIIGMWDXHJK-CQSZACIVSA-N 1 0 314.389 2.267 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843417384 650970320 /nfs/dbraw/zinc/97/03/20/650970320.db2.gz FELBJLKQYZJKQB-INIZCTEOSA-N 1 0 309.431 2.499 20 10 DECDRO Fc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000843420895 650971655 /nfs/dbraw/zinc/97/16/55/650971655.db2.gz LHTDEUFXPLXOAV-QAPCUYQASA-N 1 0 320.408 2.273 20 10 DECDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843431662 650973881 /nfs/dbraw/zinc/97/38/81/650973881.db2.gz AZASWORYCFUOTJ-AWEZNQCLSA-N 1 0 316.323 2.201 20 10 DECDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843432814 650974764 /nfs/dbraw/zinc/97/47/64/650974764.db2.gz QSPPSNQOAYIZLW-CYBMUJFWSA-N 1 0 320.286 2.032 20 10 DECDRO COc1ccc(N2CCC([NH2+]CC3([S@@](C)=O)CC3)CC2)cc1 ZINC000799727518 645214380 /nfs/dbraw/zinc/21/43/80/645214380.db2.gz NDPPQCNYQBGCHC-JOCHJYFZSA-N 1 0 322.474 2.165 20 10 DECDRO CC[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[NH+](C)C ZINC000839918947 645298586 /nfs/dbraw/zinc/29/85/86/645298586.db2.gz DUPMJUZIWPLBGI-PBHICJAKSA-N 1 0 305.466 2.448 20 10 DECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN1CCCC1 ZINC000801599253 645421410 /nfs/dbraw/zinc/42/14/10/645421410.db2.gz HHTNAUOXWSHETJ-QGZVFWFLSA-N 1 0 306.450 2.451 20 10 DECDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnc1F ZINC000911667088 645769618 /nfs/dbraw/zinc/76/96/18/645769618.db2.gz MQCSWIIAYAZDRS-HNNXBMFYSA-N 1 0 316.380 2.025 20 10 DECDRO Nc1ccc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000911782424 645821356 /nfs/dbraw/zinc/82/13/56/645821356.db2.gz IYWGVLIHZJQOCG-OIISXLGYSA-N 1 0 301.434 2.238 20 10 DECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(C)cc(C)c3O)[C@H]2C1 ZINC000840084771 645915491 /nfs/dbraw/zinc/91/54/91/645915491.db2.gz YPGGDJOABBKXSY-DLBZAZTESA-N 1 0 304.434 2.304 20 10 DECDRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)N1CCCC1 ZINC000808205816 646056615 /nfs/dbraw/zinc/05/66/15/646056615.db2.gz DVXKAOHZEFRQRT-MRXNPFEDSA-N 1 0 314.429 2.325 20 10 DECDRO COc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000808229606 646058922 /nfs/dbraw/zinc/05/89/22/646058922.db2.gz SUSKIYKTCGCWSE-LBPRGKRZSA-N 1 0 320.433 2.396 20 10 DECDRO COc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000808423169 646083091 /nfs/dbraw/zinc/08/30/91/646083091.db2.gz LBXGDLGHVIGPIL-VIFPVBQESA-N 1 0 317.227 2.203 20 10 DECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808692859 646129377 /nfs/dbraw/zinc/12/93/77/646129377.db2.gz WBGMMHMHBGJWRK-JTQLQIEISA-N 1 0 305.827 2.439 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000808692584 646129421 /nfs/dbraw/zinc/12/94/21/646129421.db2.gz RNELJJMKGMJDBF-JTQLQIEISA-N 1 0 305.827 2.439 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000808696868 646130109 /nfs/dbraw/zinc/13/01/09/646130109.db2.gz ZFSKAXRQAGRVSF-JSGCOSHPSA-N 1 0 311.857 2.250 20 10 DECDRO COc1c([O-])c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000809735640 646270643 /nfs/dbraw/zinc/27/06/43/646270643.db2.gz MTAJJGZGKQLDLF-GFCCVEGCSA-N 1 0 323.393 2.129 20 10 DECDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809741517 646273041 /nfs/dbraw/zinc/27/30/41/646273041.db2.gz PDNKUJHYRRSPGE-UHFFFAOYSA-N 1 0 317.836 2.110 20 10 DECDRO CC(C)[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CCC(=O)N1 ZINC000840189020 646304911 /nfs/dbraw/zinc/30/49/11/646304911.db2.gz OFVVHUINIQHWSM-AWEZNQCLSA-N 1 0 313.401 2.429 20 10 DECDRO COc1cc(C)cc(C[NH+]2CCC(Cn3ccnn3)CC2)c1O ZINC000164604810 646453011 /nfs/dbraw/zinc/45/30/11/646453011.db2.gz MZPURDXGVCOPRU-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000228669915 646636679 /nfs/dbraw/zinc/63/66/79/646636679.db2.gz AWXVADQJCYLCSG-UHFFFAOYSA-N 1 0 312.797 2.155 20 10 DECDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000174639878 646846428 /nfs/dbraw/zinc/84/64/28/646846428.db2.gz PYAXYNVRZGELIE-UHFFFAOYSA-N 1 0 305.827 2.349 20 10 DECDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)ccc2O)C1 ZINC000814173666 646858044 /nfs/dbraw/zinc/85/80/44/646858044.db2.gz NXRAVEANTIESRT-GWCFXTLKSA-N 1 0 311.223 2.291 20 10 DECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000814226761 646865452 /nfs/dbraw/zinc/86/54/52/646865452.db2.gz IQECOHFMPQGTRQ-CQSZACIVSA-N 1 0 311.447 2.266 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000913881056 647081779 /nfs/dbraw/zinc/08/17/79/647081779.db2.gz KULAKGFPJXPNBU-UHFFFAOYSA-N 1 0 309.385 2.203 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c(O)c1 ZINC000816597195 647156943 /nfs/dbraw/zinc/15/69/43/647156943.db2.gz IUDAMXDOKAZYBK-UHFFFAOYSA-N 1 0 314.341 2.136 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000816639568 647162043 /nfs/dbraw/zinc/16/20/43/647162043.db2.gz WYTWNNNQMKKPAW-JTQLQIEISA-N 1 0 304.346 2.361 20 10 DECDRO CCOc1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c(O)c1 ZINC000817419835 647291392 /nfs/dbraw/zinc/29/13/92/647291392.db2.gz KTOGFWNCKFGCEC-ZDUSSCGKSA-N 1 0 309.406 2.465 20 10 DECDRO C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817887775 647371629 /nfs/dbraw/zinc/37/16/29/647371629.db2.gz DURJUUHHWOMCJE-YOEHRIQHSA-N 1 0 321.440 2.283 20 10 DECDRO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC000817889080 647372133 /nfs/dbraw/zinc/37/21/33/647372133.db2.gz RVMDMLITTYKROF-DLTLXFJOSA-N 1 0 321.440 2.409 20 10 DECDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000817900371 647376835 /nfs/dbraw/zinc/37/68/35/647376835.db2.gz SCHWRBDMCVWLCW-MOPGFXCFSA-N 1 0 315.461 2.143 20 10 DECDRO C[NH2+]CCCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817939348 647387775 /nfs/dbraw/zinc/38/77/75/647387775.db2.gz DGIIYCIAQMPALB-ZDUSSCGKSA-N 1 0 311.857 2.437 20 10 DECDRO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817964970 647395734 /nfs/dbraw/zinc/39/57/34/647395734.db2.gz LKINGQPVTMRIMP-SSDOTTSWSA-N 1 0 303.175 2.164 20 10 DECDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000817983194 647400655 /nfs/dbraw/zinc/40/06/55/647400655.db2.gz ZCRCKQQNZOWFLU-WDEREUQCSA-N 1 0 318.339 2.440 20 10 DECDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817987324 647401644 /nfs/dbraw/zinc/40/16/44/647401644.db2.gz SONRVBWHRCXHEE-ZDEQEGDKSA-N 1 0 305.378 2.339 20 10 DECDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000818647515 647495223 /nfs/dbraw/zinc/49/52/23/647495223.db2.gz ZHERHDRKIYFBFZ-IAGOWNOFSA-N 1 0 316.449 2.356 20 10 DECDRO COc1cccc([C@H](CNC(=O)C2=CC(=O)CS2)N(C)C)c1 ZINC000731864029 647514684 /nfs/dbraw/zinc/51/46/84/647514684.db2.gz LYASCJKPYXBKEY-AWEZNQCLSA-N 1 0 320.414 2.495 20 10 DECDRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000819242770 647616082 /nfs/dbraw/zinc/61/60/82/647616082.db2.gz QVOMZXCVQSRWLO-BBRMVZONSA-N 1 0 308.422 2.107 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)Cn2cccn2)cc1 ZINC000917019306 647955378 /nfs/dbraw/zinc/95/53/78/647955378.db2.gz ANMWEFUKBPECDX-GOSISDBHSA-N 1 0 316.449 2.222 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000822503668 648220992 /nfs/dbraw/zinc/22/09/92/648220992.db2.gz KKXBLLXUWCUCEE-CQSZACIVSA-N 1 0 302.378 2.220 20 10 DECDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921330104 648289455 /nfs/dbraw/zinc/28/94/55/648289455.db2.gz CLKJEYKQGZBZOM-NWDGAFQWSA-N 1 0 309.385 2.203 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000237695095 648406797 /nfs/dbraw/zinc/40/67/97/648406797.db2.gz MLCRHZSXROFUJV-OAHLLOKOSA-N 1 0 312.417 2.300 20 10 DECDRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180603796 648501735 /nfs/dbraw/zinc/50/17/35/648501735.db2.gz IKDZOCICQDFPLF-GQCTYLIASA-N 1 0 304.390 2.100 20 10 DECDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C[NH+](C)C ZINC000180810595 648516902 /nfs/dbraw/zinc/51/69/02/648516902.db2.gz FENNWGQFGYUEKV-CRALRDPISA-N 1 0 306.406 2.204 20 10 DECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000824533548 648602705 /nfs/dbraw/zinc/60/27/05/648602705.db2.gz HMYQWNGSWCFPSE-NSHDSACASA-N 1 0 318.211 2.366 20 10 DECDRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000824563769 648611349 /nfs/dbraw/zinc/61/13/49/648611349.db2.gz CDDOAZKUVUMYRN-KRWDZBQOSA-N 1 0 314.429 2.482 20 10 DECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824637493 648628296 /nfs/dbraw/zinc/62/82/96/648628296.db2.gz XLVVVLCTUOMIBZ-RDJZCZTQSA-N 1 0 322.424 2.255 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824655729 648630592 /nfs/dbraw/zinc/63/05/92/648630592.db2.gz ZLOVCAJHNSPKOG-XHSDSOJGSA-N 1 0 321.417 2.153 20 10 DECDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000824844809 648661032 /nfs/dbraw/zinc/66/10/32/648661032.db2.gz CZRNLXGYQKZTMJ-CXAGYDPISA-N 1 0 309.406 2.500 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000825124125 648707317 /nfs/dbraw/zinc/70/73/17/648707317.db2.gz IDDOQIPOUWWFNE-TZMCWYRMSA-N 1 0 302.340 2.498 20 10 DECDRO CCOc1cccc(C[N@H+](CCO)C2CCSCC2)c1O ZINC000825129939 648708106 /nfs/dbraw/zinc/70/81/06/648708106.db2.gz ILLGQTXPTYQHOO-UHFFFAOYSA-N 1 0 311.447 2.481 20 10 DECDRO COc1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1O ZINC000825130254 648708333 /nfs/dbraw/zinc/70/83/33/648708333.db2.gz QQULGZMDNBVHAM-MFKMUULPSA-N 1 0 315.797 2.026 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1OC ZINC000825133305 648709262 /nfs/dbraw/zinc/70/92/62/648709262.db2.gz CNAMPMNGJRYPBJ-KRWDZBQOSA-N 1 0 307.390 2.412 20 10 DECDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)CC2 ZINC000825197989 648724113 /nfs/dbraw/zinc/72/41/13/648724113.db2.gz YDKSOAQTHXQUBI-GFCCVEGCSA-N 1 0 306.797 2.359 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825280220 648735475 /nfs/dbraw/zinc/73/54/75/648735475.db2.gz YXNVBYBKUUYDHM-CQSZACIVSA-N 1 0 321.421 2.027 20 10 DECDRO C[C@@H]1CCC[C@](CNC(=O)c2c(F)ccc(O)c2O)([NH+](C)C)C1 ZINC000825516860 648773904 /nfs/dbraw/zinc/77/39/04/648773904.db2.gz DRAQZDPOUPJDID-DIFFPNOSSA-N 1 0 324.396 2.477 20 10 DECDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000825555356 648779995 /nfs/dbraw/zinc/77/99/95/648779995.db2.gz HHYHNQHTGRUOIF-LBPRGKRZSA-N 1 0 323.194 2.193 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1Cl ZINC000825768045 648809891 /nfs/dbraw/zinc/80/98/91/648809891.db2.gz AFCIDDMJYKABOD-YPMHNXCESA-N 1 0 310.781 2.284 20 10 DECDRO COc1cccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1O ZINC000825916817 648826437 /nfs/dbraw/zinc/82/64/37/648826437.db2.gz UPKOWPSYJNPQOP-UHFFFAOYSA-N 1 0 315.295 2.443 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000825973768 648833152 /nfs/dbraw/zinc/83/31/52/648833152.db2.gz QDQGMTMYQFEXEU-QGZVFWFLSA-N 1 0 315.392 2.250 20 10 DECDRO C[C@H](O)C[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000826539012 648875075 /nfs/dbraw/zinc/87/50/75/648875075.db2.gz NJISNLIZEOEFBB-VIFPVBQESA-N 1 0 300.196 2.500 20 10 DECDRO CN(C)c1ccc(/C=C\CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000827126130 648977251 /nfs/dbraw/zinc/97/72/51/648977251.db2.gz WOWKEVQAWRWLAQ-LLHWWHOWSA-N 1 0 315.461 2.172 20 10 DECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000827133666 648978833 /nfs/dbraw/zinc/97/88/33/648978833.db2.gz WAYFTNBQPNVZGO-ZBPSDOBBSA-N 1 0 313.445 2.366 20 10 DECDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1=CCCOC1 ZINC000827185316 648988735 /nfs/dbraw/zinc/98/87/35/648988735.db2.gz QOHCFVPQOZVLFJ-UHFFFAOYSA-N 1 0 320.408 2.441 20 10 DECDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827661993 649063483 /nfs/dbraw/zinc/06/34/83/649063483.db2.gz JPHGTABKLQBJND-DYVFJYSZSA-N 1 0 306.475 2.489 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(NC(=O)OC)CC2)c1O ZINC000827934975 649108251 /nfs/dbraw/zinc/10/82/51/649108251.db2.gz QZLPTUAYIYHHTM-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO CC1(CO)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000184069304 649232889 /nfs/dbraw/zinc/23/28/89/649232889.db2.gz ITSFMRPFELYWHX-UHFFFAOYSA-N 1 0 304.434 2.118 20 10 DECDRO Cc1cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)ccc1N(C)C ZINC000830130352 649397864 /nfs/dbraw/zinc/39/78/64/649397864.db2.gz WISXGFGHEXBGDY-INIZCTEOSA-N 1 0 317.433 2.335 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000184917043 649408645 /nfs/dbraw/zinc/40/86/45/649408645.db2.gz NECAKJMRQDAQTD-NSHDSACASA-N 1 0 304.346 2.074 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000831109948 649539609 /nfs/dbraw/zinc/53/96/09/649539609.db2.gz AUWBUQDXNXESGX-KBPBESRZSA-N 1 0 306.454 2.458 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000733333846 649546767 /nfs/dbraw/zinc/54/67/67/649546767.db2.gz MQCWXPVSCGIMBB-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000831173996 649548923 /nfs/dbraw/zinc/54/89/23/649548923.db2.gz UWWZHWGVWRFIAD-MRXNPFEDSA-N 1 0 316.449 2.036 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000832267456 649690593 /nfs/dbraw/zinc/69/05/93/649690593.db2.gz SJNOTVJNMDGPFB-HOTGVXAUSA-N 1 0 301.434 2.449 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000832266284 649690704 /nfs/dbraw/zinc/69/07/04/649690704.db2.gz DOINGVHXLMFTIN-KCYZZUKISA-N 1 0 301.434 2.305 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2conc2C2CC2)cc1 ZINC000832283715 649692239 /nfs/dbraw/zinc/69/22/39/649692239.db2.gz AMOHLCUXYQQJMW-HNNXBMFYSA-N 1 0 314.389 2.048 20 10 DECDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000844177319 651086603 /nfs/dbraw/zinc/08/66/03/651086603.db2.gz IYHNUWBFFORTDV-BBRMVZONSA-N 1 0 301.434 2.073 20 10 DECDRO COc1ccc(N2CCCN(C(=O)CCC(C)(C)[NH3+])CC2)cc1 ZINC000844176189 651086631 /nfs/dbraw/zinc/08/66/31/651086631.db2.gz ZBAZDPFXTQWIQX-UHFFFAOYSA-N 1 0 319.449 2.251 20 10 DECDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000844200989 651090865 /nfs/dbraw/zinc/09/08/65/651090865.db2.gz JOKDKNRGAKFIIW-RYUDHWBXSA-N 1 0 300.406 2.345 20 10 DECDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000844902209 651181095 /nfs/dbraw/zinc/18/10/95/651181095.db2.gz LBFLYGGKEWKJTL-XPKDYRNWSA-N 1 0 308.397 2.250 20 10 DECDRO CCN1C[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000846092071 651307162 /nfs/dbraw/zinc/30/71/62/651307162.db2.gz SWMXPNOJJLVELY-SQRWCISFSA-N 1 0 301.434 2.224 20 10 DECDRO COCCN1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846142976 651310668 /nfs/dbraw/zinc/31/06/68/651310668.db2.gz GSUATTWGEJPHCZ-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000846155386 651311785 /nfs/dbraw/zinc/31/17/85/651311785.db2.gz SPQGIAUXSPMJSN-CZXHOFHRSA-N 1 0 304.390 2.061 20 10 DECDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846163802 651312333 /nfs/dbraw/zinc/31/23/33/651312333.db2.gz LGSKRNIVSLBLBF-RYUDHWBXSA-N 1 0 308.378 2.282 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)C2(C[NH3+])CCCC2)cc1 ZINC000846695871 651346451 /nfs/dbraw/zinc/34/64/51/651346451.db2.gz BHSGLUGRYPWNSX-UHFFFAOYSA-N 1 0 319.449 2.109 20 10 DECDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)ccc21 ZINC000848412619 651456922 /nfs/dbraw/zinc/45/69/22/651456922.db2.gz WKCKKCJNGFBZTG-VQIMIIECSA-N 1 0 313.445 2.075 20 10 DECDRO COCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848512990 651464098 /nfs/dbraw/zinc/46/40/98/651464098.db2.gz CEGCKSBUDSVCLK-MRVPVSSYSA-N 1 0 304.184 2.460 20 10 DECDRO Cc1cc(O)c(C[NH2+]C2(CCO)CCN(C)CC2)c(Cl)c1 ZINC000848558103 651470592 /nfs/dbraw/zinc/47/05/92/651470592.db2.gz JSUJSAYYXBUGKH-UHFFFAOYSA-N 1 0 312.841 2.290 20 10 DECDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000848559305 651470692 /nfs/dbraw/zinc/47/06/92/651470692.db2.gz RYAKVEBQGPIFGZ-TVQRCGJNSA-N 1 0 318.211 2.203 20 10 DECDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000848561091 651471276 /nfs/dbraw/zinc/47/12/76/651471276.db2.gz ULNHPHKWJIXDLW-AWEZNQCLSA-N 1 0 320.355 2.258 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCN3CCCC[C@@H]13)OCO2 ZINC000848574943 651473463 /nfs/dbraw/zinc/47/34/63/651473463.db2.gz JLQVFFNAGVMVMF-KBPBESRZSA-N 1 0 304.390 2.227 20 10 DECDRO CCc1cccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000848898691 651550972 /nfs/dbraw/zinc/55/09/72/651550972.db2.gz XHVNEXRXIQWZQJ-MRXNPFEDSA-N 1 0 314.433 2.447 20 10 DECDRO CCc1cccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1O ZINC000848906289 651555184 /nfs/dbraw/zinc/55/51/84/651555184.db2.gz UWYXIYNQSCRZSD-AWEZNQCLSA-N 1 0 306.450 2.232 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000848911583 651557185 /nfs/dbraw/zinc/55/71/85/651557185.db2.gz HGLFTBCLLFPENQ-UKRRQHHQSA-N 1 0 320.433 2.305 20 10 DECDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000849349183 651655760 /nfs/dbraw/zinc/65/57/60/651655760.db2.gz VVWAMLDIVJMTDQ-LBPRGKRZSA-N 1 0 322.405 2.500 20 10 DECDRO CCOCc1cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)ccc1OC ZINC000850344821 651905030 /nfs/dbraw/zinc/90/50/30/651905030.db2.gz XNXHOKTWXQMQMJ-YJBOKZPZSA-N 1 0 323.433 2.373 20 10 DECDRO COc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1C ZINC000850350924 651907799 /nfs/dbraw/zinc/90/77/99/651907799.db2.gz VZFCLTLYPPOSTO-HXUWFJFHSA-N 1 0 309.353 2.404 20 10 DECDRO CN1c2ccccc2C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000850352888 651907831 /nfs/dbraw/zinc/90/78/31/651907831.db2.gz LDTSWIRKCYCNBP-INIZCTEOSA-N 1 0 308.381 2.299 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+]C/C=C/CO)ccc1N1CCCCC1 ZINC000850357328 651909783 /nfs/dbraw/zinc/90/97/83/651909783.db2.gz FUFCFQUATQRATQ-GORDUTHDSA-N 1 0 305.378 2.223 20 10 DECDRO CON(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000850479559 651936364 /nfs/dbraw/zinc/93/63/64/651936364.db2.gz XGUWVEIIGRZMFA-VIFPVBQESA-N 1 0 303.200 2.299 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000114541391 651962070 /nfs/dbraw/zinc/96/20/70/651962070.db2.gz ARIKFJAUBIEQKA-XQQFMLRXSA-N 1 0 306.406 2.278 20 10 DECDRO [NH3+]C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC000851671432 652203959 /nfs/dbraw/zinc/20/39/59/652203959.db2.gz MYTDHGZODUAGGT-UHFFFAOYSA-N 1 0 317.433 2.342 20 10 DECDRO C[NH2+]C[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000851680892 652205493 /nfs/dbraw/zinc/20/54/93/652205493.db2.gz KPGMPWNORKQXKQ-HNNXBMFYSA-N 1 0 318.465 2.426 20 10 DECDRO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000858100949 652254581 /nfs/dbraw/zinc/25/45/81/652254581.db2.gz TYHBWOIYLXKKKO-UHFFFAOYSA-N 1 0 319.355 2.486 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+]CCOC[C@H]2CCCO2)cc1F ZINC000858138269 652262968 /nfs/dbraw/zinc/26/29/68/652262968.db2.gz UOTZDDKERYCLJI-CYBMUJFWSA-N 1 0 314.376 2.316 20 10 DECDRO COCCC[N@H+](C)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858145788 652264829 /nfs/dbraw/zinc/26/48/29/652264829.db2.gz FQGFXPCOKJDRCA-UHFFFAOYSA-N 1 0 315.408 2.089 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]3CCCC[C@H]3NC2=O)c1 ZINC000851901533 652275261 /nfs/dbraw/zinc/27/52/61/652275261.db2.gz LLVMBDAGRZGPSW-UAXWRAGISA-N 1 0 318.417 2.499 20 10 DECDRO CCON(CC)C(=O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000858218124 652280733 /nfs/dbraw/zinc/28/07/33/652280733.db2.gz HDTYALYQQMAAPC-UHFFFAOYSA-N 1 0 307.438 2.422 20 10 DECDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858282002 652296024 /nfs/dbraw/zinc/29/60/24/652296024.db2.gz CFHURQWNPWAPLK-AFIMGQEJSA-N 1 0 304.434 2.425 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858341495 652312084 /nfs/dbraw/zinc/31/20/84/652312084.db2.gz BSXSWWHMAGMUPB-HNNXBMFYSA-N 1 0 304.390 2.034 20 10 DECDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccnn2C)c2c1c(F)ccc2O ZINC000858435148 652336780 /nfs/dbraw/zinc/33/67/80/652336780.db2.gz XDRMZDHIULDKKF-JLLWLGSASA-N 1 0 305.353 2.136 20 10 DECDRO CO[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000852791833 652457976 /nfs/dbraw/zinc/45/79/76/652457976.db2.gz NHTWAGODDXFPLZ-IRXDYDNUSA-N 1 0 319.449 2.074 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)cc1C ZINC000853608582 652578340 /nfs/dbraw/zinc/57/83/40/652578340.db2.gz WCICCYVPYOWIBU-UHFFFAOYSA-N 1 0 304.390 2.426 20 10 DECDRO COC(=O)NC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000853625659 652580278 /nfs/dbraw/zinc/58/02/78/652580278.db2.gz HUPBODMSKLKFEG-UHFFFAOYSA-N 1 0 308.378 2.030 20 10 DECDRO C[C@@H]([NH2+]CC1COC1)c1ccc(N2CCOCC2)cc1Cl ZINC000858550318 685556622 /nfs/dbraw/zinc/55/66/22/685556622.db2.gz MKNUZSDCVITNNE-GFCCVEGCSA-N 1 0 310.825 2.474 20 10 DECDRO Cn1nccc1C([NH2+][C@@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000858586639 685563274 /nfs/dbraw/zinc/56/32/74/685563274.db2.gz VUSMUZMZZCESSD-CYBMUJFWSA-N 1 0 323.400 2.226 20 10 DECDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000039519478 683887891 /nfs/dbraw/zinc/88/78/91/683887891.db2.gz GHUHGWLMDSVPJQ-GASCZTMLSA-N 1 0 303.450 2.347 20 10 DECDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1 ZINC000090882652 684033659 /nfs/dbraw/zinc/03/36/59/684033659.db2.gz JMJQGZYZBPWRGI-CYBMUJFWSA-N 1 0 310.463 2.228 20 10 DECDRO COC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000093460515 684049640 /nfs/dbraw/zinc/04/96/40/684049640.db2.gz XYWAEYBNAYIKMG-QGZVFWFLSA-N 1 0 320.433 2.297 20 10 DECDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NCCc1ccccc1 ZINC000113341365 684062311 /nfs/dbraw/zinc/06/23/11/684062311.db2.gz BJHDBAJFRZUHLL-UHFFFAOYSA-N 1 0 318.804 2.494 20 10 DECDRO CCOc1ccc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188890252 684366703 /nfs/dbraw/zinc/36/67/03/684366703.db2.gz RCHMXNFWEZGJEV-CQSZACIVSA-N 1 0 322.449 2.068 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2C)cc1C ZINC001054312258 693924749 /nfs/dbraw/zinc/92/47/49/693924749.db2.gz WROXZRPOSHVFES-CZUORRHYSA-N 1 0 302.418 2.350 20 10 DECDRO CCOC(=O)C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000859082163 685651572 /nfs/dbraw/zinc/65/15/72/685651572.db2.gz PUFADUIPPMRPOS-KRWDZBQOSA-N 1 0 320.433 2.031 20 10 DECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+](C2CC2)C2CC2)cc1 ZINC000859621254 685776407 /nfs/dbraw/zinc/77/64/07/685776407.db2.gz JXGFEMHGFQSUMK-UHFFFAOYSA-N 1 0 301.434 2.338 20 10 DECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(N(C)C)c(C)c2)n1 ZINC000860148870 685891775 /nfs/dbraw/zinc/89/17/75/685891775.db2.gz JCRAAANJZOPUFP-ZBFHGGJFSA-N 1 0 316.405 2.372 20 10 DECDRO Oc1cccc(Br)c1CN1CC[NH+](C2CC2)CC1 ZINC000862216812 686257501 /nfs/dbraw/zinc/25/75/01/686257501.db2.gz RWRGHQZGFWRGIE-UHFFFAOYSA-N 1 0 311.223 2.435 20 10 DECDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000865775664 687330638 /nfs/dbraw/zinc/33/06/38/687330638.db2.gz VBJSPNKJVXBTKO-KLPPZKSPSA-N 1 0 321.373 2.331 20 10 DECDRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccccc1O ZINC000866434980 687572247 /nfs/dbraw/zinc/57/22/47/687572247.db2.gz TUZYFKMCNWPZAJ-SKDRFNHKSA-N 1 0 300.284 2.438 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001016384196 687607555 /nfs/dbraw/zinc/60/75/55/687607555.db2.gz NHDMRGVREFKZGO-CQSZACIVSA-N 1 0 315.377 2.063 20 10 DECDRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1O ZINC000868356040 687988605 /nfs/dbraw/zinc/98/86/05/687988605.db2.gz RNKFMHGPFDIIRK-LRDDRELGSA-N 1 0 323.462 2.190 20 10 DECDRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868364793 687991867 /nfs/dbraw/zinc/99/18/67/687991867.db2.gz VMAPMYJXCQMMBM-CYBMUJFWSA-N 1 0 305.422 2.484 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870868300 688672355 /nfs/dbraw/zinc/67/23/55/688672355.db2.gz FOQSXNPQJKEOPS-VKJFTORMSA-N 1 0 301.434 2.276 20 10 DECDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)ccc21 ZINC000872199882 688950276 /nfs/dbraw/zinc/95/02/76/688950276.db2.gz SENWCPWVQMAGNV-PKOBYXMFSA-N 1 0 318.461 2.071 20 10 DECDRO COc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1Cn1cccn1 ZINC000873006946 689139393 /nfs/dbraw/zinc/13/93/93/689139393.db2.gz DBGVXBBKOZEWSU-UHFFFAOYSA-N 1 0 316.449 2.370 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1Cn1cccn1 ZINC000873058603 689150327 /nfs/dbraw/zinc/15/03/27/689150327.db2.gz GYWSAWYJNAOLHF-KRWDZBQOSA-N 1 0 315.417 2.191 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1Cn1cccn1 ZINC000873127204 689164479 /nfs/dbraw/zinc/16/44/79/689164479.db2.gz OTMJKNPQNLIIML-KRWDZBQOSA-N 1 0 317.433 2.294 20 10 DECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H](C)O ZINC000873130851 689165921 /nfs/dbraw/zinc/16/59/21/689165921.db2.gz HOXOIRZDCXZQBB-BBRMVZONSA-N 1 0 303.406 2.189 20 10 DECDRO CC[C@H]1COCCN1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000873189085 689178801 /nfs/dbraw/zinc/17/88/01/689178801.db2.gz NTGAIPJYMDVFPP-XFHJGTJQSA-N 1 0 317.477 2.466 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000873219495 689186863 /nfs/dbraw/zinc/18/68/63/689186863.db2.gz IWWLFNDANDIKFG-UHFFFAOYSA-N 1 0 300.358 2.378 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873264417 689197420 /nfs/dbraw/zinc/19/74/20/689197420.db2.gz PDMYKPUSKMLXTB-RJZRQDKASA-N 1 0 318.417 2.360 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000874085272 689355233 /nfs/dbraw/zinc/35/52/33/689355233.db2.gz JVAIDWUVSAJUAG-MRXNPFEDSA-N 1 0 303.450 2.491 20 10 DECDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875872967 689708170 /nfs/dbraw/zinc/70/81/70/689708170.db2.gz LAPMCVXRVOYYKV-HNNXBMFYSA-N 1 0 315.417 2.434 20 10 DECDRO CC(C)c1nocc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506155 689841978 /nfs/dbraw/zinc/84/19/78/689841978.db2.gz GEKPRBDWCWZIPM-OAHLLOKOSA-N 1 0 316.405 2.294 20 10 DECDRO COC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876554119 689854667 /nfs/dbraw/zinc/85/46/67/689854667.db2.gz CQNSGSGOFBQKKZ-UHFFFAOYSA-N 1 0 304.434 2.259 20 10 DECDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC2)cc1 ZINC000876707821 689910738 /nfs/dbraw/zinc/91/07/38/689910738.db2.gz BEFLYMXWICEQMW-QGZVFWFLSA-N 1 0 319.449 2.107 20 10 DECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CCOCC1 ZINC000876988602 689991372 /nfs/dbraw/zinc/99/13/72/689991372.db2.gz IQNKAROSYLMHCE-QGZVFWFLSA-N 1 0 310.413 2.423 20 10 DECDRO Cc1cccc(O)c1C[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000876996097 689993297 /nfs/dbraw/zinc/99/32/97/689993297.db2.gz OIGNMTRZUPAYDO-UHFFFAOYSA-N 1 0 314.385 2.316 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1F ZINC000877026814 690001019 /nfs/dbraw/zinc/00/10/19/690001019.db2.gz GEHAYVMTJICTBB-AWEZNQCLSA-N 1 0 307.413 2.430 20 10 DECDRO C[NH+]1CCC2(CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000877191717 690041604 /nfs/dbraw/zinc/04/16/04/690041604.db2.gz COLSKBFAENGRCR-UHFFFAOYSA-N 1 0 301.434 2.146 20 10 DECDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(C)cccc1O ZINC000877422209 690107773 /nfs/dbraw/zinc/10/77/73/690107773.db2.gz SJRCGVMQRBAXBW-KBPBESRZSA-N 1 0 307.390 2.243 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000877556755 690151314 /nfs/dbraw/zinc/15/13/14/690151314.db2.gz JHQNTPVTFDHQJC-UHFFFAOYSA-N 1 0 311.447 2.394 20 10 DECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1 ZINC000877576293 690156844 /nfs/dbraw/zinc/15/68/44/690156844.db2.gz ITJRBITZXVPPKH-GDBMZVCRSA-N 1 0 301.390 2.444 20 10 DECDRO Cc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(O)c1 ZINC000877617449 690168873 /nfs/dbraw/zinc/16/88/73/690168873.db2.gz WNUBGQKFZRRXQM-INIZCTEOSA-N 1 0 302.418 2.437 20 10 DECDRO COCCN(CCF)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877627749 690172247 /nfs/dbraw/zinc/17/22/47/690172247.db2.gz YNLHXJCMFJDBON-UHFFFAOYSA-N 1 0 310.413 2.066 20 10 DECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877630693 690173093 /nfs/dbraw/zinc/17/30/93/690173093.db2.gz JTOZPCZYWKQWQL-YJBOKZPZSA-N 1 0 304.434 2.162 20 10 DECDRO Oc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665541 690183654 /nfs/dbraw/zinc/18/36/54/690183654.db2.gz ATVWTAAHSGBOPB-IAGOWNOFSA-N 1 0 303.333 2.155 20 10 DECDRO Cc1ccc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c(O)c1 ZINC000877678633 690187736 /nfs/dbraw/zinc/18/77/36/690187736.db2.gz NNSAHFZRXNNFIR-UHFFFAOYSA-N 1 0 310.397 2.287 20 10 DECDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743268 690212074 /nfs/dbraw/zinc/21/20/74/690212074.db2.gz JHYIFSZVLZIWEM-IEBWSBKVSA-N 1 0 315.461 2.049 20 10 DECDRO CCc1cccc(C[N@H+](C)CCN2CC3(C2)CCOCC3)c1O ZINC000877765923 690218890 /nfs/dbraw/zinc/21/88/90/690218890.db2.gz MJJXBELNNZEIKV-UHFFFAOYSA-N 1 0 318.461 2.499 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCNC3=O)CC2)c1O ZINC000877782614 690227134 /nfs/dbraw/zinc/22/71/34/690227134.db2.gz GDWUOIUAZQSXSR-UHFFFAOYSA-N 1 0 324.808 2.156 20 10 DECDRO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923053 690261550 /nfs/dbraw/zinc/26/15/50/690261550.db2.gz INORXGDYVCKAQH-NVXWUHKLSA-N 1 0 304.434 2.380 20 10 DECDRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1O ZINC000878808387 690504486 /nfs/dbraw/zinc/50/44/86/690504486.db2.gz STMKEFUMXFFWNO-GFCCVEGCSA-N 1 0 317.393 2.033 20 10 DECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)cc1 ZINC000878945958 690534690 /nfs/dbraw/zinc/53/46/90/690534690.db2.gz SYAIALAXPYFOPG-CYBMUJFWSA-N 1 0 301.394 2.097 20 10 DECDRO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647917 690698578 /nfs/dbraw/zinc/69/85/78/690698578.db2.gz QWECMZZQJBFOBB-CYBMUJFWSA-N 1 0 314.385 2.368 20 10 DECDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO ZINC000931502434 694414047 /nfs/dbraw/zinc/41/40/47/694414047.db2.gz PYSMESXXGSRMCV-CRAIPNDOSA-N 1 0 304.434 2.116 20 10 DECDRO Cc1coc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881849595 691173193 /nfs/dbraw/zinc/17/31/93/691173193.db2.gz RKJIEWPCDLIVHX-UHFFFAOYSA-N 1 0 313.401 2.270 20 10 DECDRO COC(=O)N1CCC(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883119457 691433398 /nfs/dbraw/zinc/43/33/98/691433398.db2.gz ZXMJSZHCPIJWLP-UHFFFAOYSA-N 1 0 314.332 2.238 20 10 DECDRO Oc1cc2c(cc1C[NH2+][C@@]1(c3ccccc3)C[C@@H](O)C1)OCO2 ZINC000883235233 691462914 /nfs/dbraw/zinc/46/29/14/691462914.db2.gz XPSXBTANRYOYHQ-UJKQEGAGSA-N 1 0 313.353 2.261 20 10 DECDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000883305664 691477864 /nfs/dbraw/zinc/47/78/64/691477864.db2.gz CDZGCGHPCZZJRE-CJNGLKHVSA-N 1 0 310.463 2.371 20 10 DECDRO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886595062 692123459 /nfs/dbraw/zinc/12/34/59/692123459.db2.gz ZVXWCICMPBUSMH-UONOGXRCSA-N 1 0 309.429 2.208 20 10 DECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1O ZINC000886628337 692138688 /nfs/dbraw/zinc/13/86/88/692138688.db2.gz NGIZECZGYINIMM-NVXWUHKLSA-N 1 0 307.365 2.471 20 10 DECDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H]1CCCOC1 ZINC000886788572 692190660 /nfs/dbraw/zinc/19/06/60/692190660.db2.gz DQNRLCGJYDSKRJ-IPYPFGDCSA-N 1 0 309.406 2.493 20 10 DECDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000924710267 693175686 /nfs/dbraw/zinc/17/56/86/693175686.db2.gz JNPNKWVJNFOLJU-WWGRRREGSA-N 1 0 308.397 2.175 20 10 DECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924758792 693181988 /nfs/dbraw/zinc/18/19/88/693181988.db2.gz BABUCLGTIDCOGM-HKUYNNGSSA-N 1 0 318.461 2.410 20 10 DECDRO CN1CCCc2cc(C[NH2+][C@@H]3CCOC34CCOCC4)ccc21 ZINC000924873506 693195911 /nfs/dbraw/zinc/19/59/11/693195911.db2.gz XHYMFLJYBMICEY-GOSISDBHSA-N 1 0 316.445 2.497 20 10 DECDRO CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000927132911 693559106 /nfs/dbraw/zinc/55/91/06/693559106.db2.gz OPXCQGCSCTYWDC-DOTOQJQBSA-N 1 0 302.422 2.260 20 10 DECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(C)cc(OC)c2O)C1(C)C ZINC001332707453 1149882384 /nfs/dbraw/zinc/88/23/84/1149882384.db2.gz JWZUBCCDWBIRLK-CRAIPNDOSA-N 1 0 323.433 2.365 20 10 DECDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334774174 1150340910 /nfs/dbraw/zinc/34/09/10/1150340910.db2.gz FSQUMAJELGUPLQ-UHFFFAOYSA-N 1 0 319.449 2.024 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC001335429995 1150414597 /nfs/dbraw/zinc/41/45/97/1150414597.db2.gz JCTBIZZLJRUYNH-IUODEOHRSA-N 1 0 322.428 2.079 20 10 DECDRO C[C@@H](NC(=O)c1coc([C@@H]2CCC[NH2+]2)n1)c1ccccc1O ZINC001344462698 1150823879 /nfs/dbraw/zinc/82/38/79/1150823879.db2.gz SIRCROICHVZFNF-PWSUYJOCSA-N 1 0 301.346 2.296 20 10 DECDRO O=C(NCc1c(O)cccc1F)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001344820646 1150844421 /nfs/dbraw/zinc/84/44/21/1150844421.db2.gz BFPYVODWLIXDTR-UHFFFAOYSA-N 1 0 320.286 2.080 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)[C@@H]2C1 ZINC001347235573 1151050644 /nfs/dbraw/zinc/05/06/44/1151050644.db2.gz ZPONGTCIHBCHLD-ZLKJLUDKSA-N 1 0 323.824 2.185 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001353074448 1151808134 /nfs/dbraw/zinc/80/81/34/1151808134.db2.gz XJMRJNMHHBSQJL-MRXNPFEDSA-N 1 0 301.434 2.209 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001358167281 1152367680 /nfs/dbraw/zinc/36/76/80/1152367680.db2.gz GANJRFOQOAZVRW-HWWQOWPSSA-N 1 0 306.381 2.316 20 10 DECDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)[C@@H]2C1 ZINC001347235571 1151050783 /nfs/dbraw/zinc/05/07/83/1151050783.db2.gz ZPONGTCIHBCHLD-GDLCADMTSA-N 1 0 323.824 2.185 20 10 DECDRO CN(Cc1ccccc1O)C(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001121848769 782364267 /nfs/dbraw/zinc/36/42/67/782364267.db2.gz NFWWAINVMZOJPK-UHFFFAOYSA-N 1 0 316.323 2.283 20 10 DECDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(c2)CCO3)COC1 ZINC001167371184 776961267 /nfs/dbraw/zinc/96/12/67/776961267.db2.gz SDCBJVQEMANSRJ-UHFFFAOYSA-N 1 0 310.397 2.356 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000724914519 777518828 /nfs/dbraw/zinc/51/88/28/777518828.db2.gz PBMVZGFQZZUXSX-ZDUSSCGKSA-N 1 0 322.405 2.500 20 10 DECDRO COC[C@@H](CC[NH2+]Cc1cc(Br)ccc1O)OC ZINC000694298525 777778685 /nfs/dbraw/zinc/77/86/85/777778685.db2.gz KLAILBSKVLBCDA-GFCCVEGCSA-N 1 0 318.211 2.296 20 10 DECDRO COC[C@H](CC[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000694372640 777810253 /nfs/dbraw/zinc/81/02/53/777810253.db2.gz HZYNTBJWHNQMBF-LBPRGKRZSA-N 1 0 303.786 2.195 20 10 DECDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(F)ccc1O ZINC000694605535 777894533 /nfs/dbraw/zinc/89/45/33/777894533.db2.gz YMJVQGHHDSAHKD-PWSUYJOCSA-N 1 0 301.383 2.149 20 10 DECDRO COC(C[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2)OC ZINC001141078337 778210501 /nfs/dbraw/zinc/21/05/01/778210501.db2.gz SOLGKYFFWZVHEO-UHFFFAOYSA-N 1 0 304.434 2.436 20 10 DECDRO COc1ccc(N2CC[NH+]([C@H]3CCO[C@@H](C)C3)CC2)c(OC)c1 ZINC001168142373 780229674 /nfs/dbraw/zinc/22/96/74/780229674.db2.gz KYRTUVUZXIWAEF-GJZGRUSLSA-N 1 0 320.433 2.393 20 10 DECDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1C ZINC001144520158 790938650 /nfs/dbraw/zinc/93/86/50/790938650.db2.gz HYCZKUORJVNAMH-NWDGAFQWSA-N 1 0 323.389 2.215 20 10 DECDRO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001144519927 790938932 /nfs/dbraw/zinc/93/89/32/790938932.db2.gz DRDOKVYDNDIJOS-LSDHHAIUSA-N 1 0 324.396 2.202 20 10 DECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001144509554 790940410 /nfs/dbraw/zinc/94/04/10/790940410.db2.gz YWHTVJPBGMXZLD-ZDUSSCGKSA-N 1 0 300.358 2.406 20 10 DECDRO CC1(C)Cc2cc(N(CC[NH3+])c3cccnc3)ccc2C(=O)N1 ZINC001168838674 784935931 /nfs/dbraw/zinc/93/59/31/784935931.db2.gz LNOPJMXXOCURSW-UHFFFAOYSA-N 1 0 310.401 2.243 20 10 DECDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CO1 ZINC001169350006 785143812 /nfs/dbraw/zinc/14/38/12/785143812.db2.gz HXMUMQMYWABJPS-GOEBONIOSA-N 1 0 307.390 2.204 20 10 DECDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CO1 ZINC001169418491 785178985 /nfs/dbraw/zinc/17/89/85/785178985.db2.gz NSZNYQJBUBDSGC-IRXDYDNUSA-N 1 0 320.433 2.295 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)C2(F)CCCC2)cc1C ZINC001130619721 787445843 /nfs/dbraw/zinc/44/58/43/787445843.db2.gz FLWWZAONGRIIHA-UHFFFAOYSA-N 1 0 308.397 2.492 20 10 DECDRO CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001098480306 788209523 /nfs/dbraw/zinc/20/95/23/788209523.db2.gz ACCIZAWKZYJIQJ-MCIONIFRSA-N 1 0 315.377 2.204 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)Cc2occc2C)cc1C ZINC001133580430 788510063 /nfs/dbraw/zinc/51/00/63/788510063.db2.gz KNTGEANGUCRGLH-UHFFFAOYSA-N 1 0 316.401 2.354 20 10 DECDRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001333842967 1150099034 /nfs/dbraw/zinc/09/90/34/1150099034.db2.gz UJDPKHRJJMVSAB-YJBOKZPZSA-N 1 0 315.465 2.230 20 10 DECDRO CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001146663960 791328421 /nfs/dbraw/zinc/32/84/21/791328421.db2.gz PFLHSZNLPUSFHH-QWRGUYRKSA-N 1 0 305.382 2.355 20 10 DECDRO CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001086886377 791841190 /nfs/dbraw/zinc/84/11/90/791841190.db2.gz ZLLHVHMSZHKIEK-SMDDNHRTSA-N 1 0 317.393 2.357 20 10 DECDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001172769597 793496445 /nfs/dbraw/zinc/49/64/45/793496445.db2.gz BINKXEKFIAUKOB-UONOGXRCSA-N 1 0 307.390 2.352 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)cc1C ZINC001173750396 793836622 /nfs/dbraw/zinc/83/66/22/793836622.db2.gz ICQJPQOJBNOOAN-GJZGRUSLSA-N 1 0 301.394 2.264 20 10 DECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691439483 794451553 /nfs/dbraw/zinc/45/15/53/794451553.db2.gz GAOYBUPYTGZENC-XYZCENFISA-N 1 0 320.252 2.401 20 10 DECDRO Cc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1O ZINC000693486364 794505918 /nfs/dbraw/zinc/50/59/18/794505918.db2.gz KQCAWBJMVSVHRS-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1(CO)CC1 ZINC000696127126 794560828 /nfs/dbraw/zinc/56/08/28/794560828.db2.gz PFPFKIDQPOQDLV-VIFPVBQESA-N 1 0 300.196 2.405 20 10 DECDRO C[NH2+]C[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001118031989 795142804 /nfs/dbraw/zinc/14/28/04/795142804.db2.gz GLNRFKUKRIMVEM-CQSZACIVSA-N 1 0 318.465 2.282 20 10 DECDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2F)CC1 ZINC001119450426 795303546 /nfs/dbraw/zinc/30/35/46/795303546.db2.gz IEAHDWUGOXKOFK-OAHLLOKOSA-N 1 0 309.404 2.369 20 10 DECDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275006 795325062 /nfs/dbraw/zinc/32/50/62/795325062.db2.gz LDTGBFKHXAFGIH-GOSISDBHSA-N 1 0 318.417 2.321 20 10 DECDRO CCOc1ccc(N2CC[NH+](CCc3nnc(C)o3)CC2)cc1 ZINC001119765603 795350946 /nfs/dbraw/zinc/35/09/46/795350946.db2.gz XJEWXUPIVAZZPX-UHFFFAOYSA-N 1 0 316.405 2.141 20 10 DECDRO [NH3+]C1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC001120578013 795489329 /nfs/dbraw/zinc/48/93/29/795489329.db2.gz RJBHORRFMOENTN-UHFFFAOYSA-N 1 0 315.373 2.188 20 10 DECDRO C[C@@H](NC(=O)NC1CC2(CC([NH3+])C2)C1)c1ccc(N(C)C)cc1 ZINC001120660997 795508629 /nfs/dbraw/zinc/50/86/29/795508629.db2.gz XVDLWUKRHKGCLX-WCZUTWHYSA-N 1 0 316.449 2.383 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(O)c1 ZINC001181686793 795510490 /nfs/dbraw/zinc/51/04/90/795510490.db2.gz JSTJJLPZEFGQPH-QGZVFWFLSA-N 1 0 307.390 2.091 20 10 DECDRO Nc1ccc(CNC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC001120677501 795511071 /nfs/dbraw/zinc/51/10/71/795511071.db2.gz RAJCUARHLUOAEO-MRXNPFEDSA-N 1 0 316.449 2.462 20 10 DECDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC001203563245 795843955 /nfs/dbraw/zinc/84/39/55/795843955.db2.gz XCHWFFIHLPJLJC-AWEZNQCLSA-N 1 0 315.373 2.153 20 10 DECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)nc2)cc1C ZINC001123627866 795944494 /nfs/dbraw/zinc/94/44/94/795944494.db2.gz NCBHUSJYCUTCIU-UHFFFAOYSA-N 1 0 313.401 2.227 20 10 DECDRO C[NH+](C)CCc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001123890354 795994713 /nfs/dbraw/zinc/99/47/13/795994713.db2.gz XODJNBFRASFDGP-UHFFFAOYSA-N 1 0 314.385 2.132 20 10 DECDRO CCNC(=O)OC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203599197 796134525 /nfs/dbraw/zinc/13/45/25/796134525.db2.gz CFCODPGOYVVIMG-UHFFFAOYSA-N 1 0 308.378 2.111 20 10 DECDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c2ccccc2n1C ZINC001138252378 796187824 /nfs/dbraw/zinc/18/78/24/796187824.db2.gz DXMVEHIRFYBCTQ-ZWKOTPCHSA-N 1 0 302.418 2.052 20 10 DECDRO Oc1c(C[N@H+]2CCC[C@H](O)CC2)cc2c3c1CCCN3CCC2 ZINC001138337669 796198446 /nfs/dbraw/zinc/19/84/46/796198446.db2.gz CNZAVLUVNFCGSQ-INIZCTEOSA-N 1 0 316.445 2.438 20 10 DECDRO Oc1c(CN2Cc3cncnc3C2)cc2c3c1CCCN3CCC2 ZINC001138337601 796199177 /nfs/dbraw/zinc/19/91/77/796199177.db2.gz BNOLKSSQAARFTH-UHFFFAOYSA-N 1 0 322.412 2.397 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336240 796199404 /nfs/dbraw/zinc/19/94/04/796199404.db2.gz MZBGIOJWCOOPBO-CQSZACIVSA-N 1 0 316.445 2.295 20 10 DECDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359756 796205043 /nfs/dbraw/zinc/20/50/43/796205043.db2.gz YLCWQYRVBWXACC-OAHLLOKOSA-N 1 0 302.418 2.454 20 10 DECDRO CN1CCCc2cc(C[NH+]3CCC4(CCC(=O)N4)CC3)ccc21 ZINC001138358897 796205385 /nfs/dbraw/zinc/20/53/85/796205385.db2.gz DKTNSOGRKQOLEB-UHFFFAOYSA-N 1 0 313.445 2.314 20 10 DECDRO O[C@@]1(CF)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138495040 796226765 /nfs/dbraw/zinc/22/67/65/796226765.db2.gz CZVOTOODQZHFKC-SFHVURJKSA-N 1 0 322.424 2.210 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001138495241 796227764 /nfs/dbraw/zinc/22/77/64/796227764.db2.gz 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C[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CCC[NH2+]1 ZINC001220212527 802426756 /nfs/dbraw/zinc/42/67/56/802426756.db2.gz MTRSGDIOTPYFKD-MRXNPFEDSA-N 1 0 319.792 2.352 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000319763538 802633832 /nfs/dbraw/zinc/63/38/32/802633832.db2.gz QKXKOTHQQXMAOG-PBHICJAKSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H](C)O1 ZINC001335507284 1150437533 /nfs/dbraw/zinc/43/75/33/1150437533.db2.gz OTKCGBWHFAKKIB-CPUCHLNUSA-N 1 0 321.440 2.233 20 10 DECDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C(=O)[O-])ccc1O ZINC001593220207 994308927 /nfs/dbraw/zinc/30/89/27/994308927.db2.gz RKUVPRUITCFJPQ-HLVVYCRESA-N 1 0 304.390 2.366 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(-c2nn[nH]n2)ccn1 ZINC001603668324 1070033435 /nfs/dbraw/zinc/03/34/35/1070033435.db2.gz UOPLABYXGVHNLP-GFCCVEGCSA-N 1 0 323.404 2.179 20 10 DECDRO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)[NH+](C)C ZINC001546421088 1070262949 /nfs/dbraw/zinc/26/29/49/1070262949.db2.gz SENFVORMYLDLSI-CYBMUJFWSA-N 1 0 317.437 2.133 20 10 DECDRO COC(=O)CCCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001460336260 1058299513 /nfs/dbraw/zinc/29/95/13/1058299513.db2.gz PSHWWAHRWVTRFS-UHFFFAOYSA-N 1 0 308.422 2.407 20 10 DECDRO CCCOc1ccc(C[NH2+]C[C@]2(C(=O)OC)CCOC2)cc1C ZINC001474304238 1060848338 /nfs/dbraw/zinc/84/83/38/1060848338.db2.gz MAEYUXBTMXDPDY-GOSISDBHSA-N 1 0 321.417 2.453 20 10 DECDRO COc1cc(C)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC001474472031 1060878156 /nfs/dbraw/zinc/87/81/56/1060878156.db2.gz WYDYQSZMQMWGOV-SFHVURJKSA-N 1 0 321.417 2.479 20 10 DECDRO CC[C@H](CNC(=O)c1ccn[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951006 1064555698 /nfs/dbraw/zinc/55/56/98/1064555698.db2.gz LOQXOWSFEZVGMX-CQSZACIVSA-N 1 0 316.405 2.025 20 10 DECDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cn[nH]c2)cc1C ZINC001568607607 1064985739 /nfs/dbraw/zinc/98/57/39/1064985739.db2.gz KSWADKPMFYWWGO-ZDUSSCGKSA-N 1 0 316.405 2.025 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2oncc2C)cc1C ZINC001569028559 1065247149 /nfs/dbraw/zinc/24/71/49/1065247149.db2.gz PKQUIMFLTOVYCG-CYBMUJFWSA-N 1 0 317.389 2.208 20 10 DECDRO C[C@@H]1[NH2+]C[C@H](C)N(Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC001576881356 1066710530 /nfs/dbraw/zinc/71/05/30/1066710530.db2.gz KRIWUHYGNXPLIV-JYJNAYRXSA-N 1 0 317.477 2.218 20 10 DECDRO COCC[C@H]([NH3+])CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC001579000091 1067217958 /nfs/dbraw/zinc/21/79/58/1067217958.db2.gz OFEGIMKVXDEJHC-KRWDZBQOSA-N 1 0 305.466 2.473 20 10 DECDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)CC[NH3+] ZINC001579589350 1067376940 /nfs/dbraw/zinc/37/69/40/1067376940.db2.gz GETMOVLUVCYXEK-GFCCVEGCSA-N 1 0 313.401 2.374 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(C)O)cc1C ZINC001570601631 1068031842 /nfs/dbraw/zinc/03/18/42/1068031842.db2.gz NZBQKCGYPUWQJU-KBPBESRZSA-N 1 0 322.449 2.147 20 10 DECDRO C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)C[NH+]2CCC1CC2 ZINC001640233712 1078649625 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COc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC001652362096 1079872926 /nfs/dbraw/zinc/87/29/26/1079872926.db2.gz XOGRPVUHKIIMQW-IYOUNJFTSA-N 1 0 321.417 2.478 20 10 DECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC001658107404 1080196200 /nfs/dbraw/zinc/19/62/00/1080196200.db2.gz IRUXDDVRCHQLFP-UHFFFAOYSA-N 1 0 321.398 2.094 20 10 DECDRO COC1(OC)CC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001658178802 1080200104 /nfs/dbraw/zinc/20/01/04/1080200104.db2.gz HWQCYIBQIKBQJM-UHFFFAOYSA-N 1 0 320.433 2.012 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc3oc(=O)oc3c2)c(O)c1 ZINC001658993021 1080225555 /nfs/dbraw/zinc/22/55/55/1080225555.db2.gz XOFYFWKFWPXZJS-UHFFFAOYSA-N 1 0 301.298 2.390 20 10 DECDRO Cc1ccc(O)c(C[NH2+]C2CCC3(CS(=O)(=O)C3)CC2)c1 ZINC001660308213 1080307877 /nfs/dbraw/zinc/30/78/77/1080307877.db2.gz XIUHVZLKOYSADB-UHFFFAOYSA-N 1 0 309.431 2.148 20 10 DECDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001661121440 1080444156 /nfs/dbraw/zinc/44/41/56/1080444156.db2.gz QQRVFXFGZNLHKF-SFHVURJKSA-N 1 0 306.450 2.410 20 10 DECDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001661472608 1080484780 /nfs/dbraw/zinc/48/47/80/1080484780.db2.gz BCEONVSTUPQQMJ-QGZVFWFLSA-N 1 0 301.434 2.386 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)OC)C2)cc1C ZINC001661578099 1080496277 /nfs/dbraw/zinc/49/62/77/1080496277.db2.gz XWUHBRFLBBHQPA-CWRNSKLLSA-N 1 0 320.433 2.165 20 10 DECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@@H]([S@](C)=O)C2)cc1F ZINC001663405859 1080742276 /nfs/dbraw/zinc/74/22/76/1080742276.db2.gz UMIHHZAGCVTPTB-ZSMADZGOSA-N 1 0 316.417 2.420 20 10 DECDRO C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1[O-] ZINC001276539283 1083484592 /nfs/dbraw/zinc/48/45/92/1083484592.db2.gz QCLLHRWZAPHBFB-MQVJKMGUSA-N 1 0 321.440 2.178 20 10 DECDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OC)cc1O ZINC001276790903 1083612752 /nfs/dbraw/zinc/61/27/52/1083612752.db2.gz WVUPENVXCPYYMO-AGUYFDCRSA-N 1 0 306.406 2.124 20 10 DECDRO COc1cc(O)c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276790873 1083613287 /nfs/dbraw/zinc/61/32/87/1083613287.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 1 0 320.433 2.327 20 10 DECDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC001276914074 1083677430 /nfs/dbraw/zinc/67/74/30/1083677430.db2.gz LUMFJAAKIYMESC-PBHICJAKSA-N 1 0 312.369 2.146 20 10 DECDRO CCOc1ccc(N2CC3(C2)CC[N@H+](CCN(C)C)C3)cc1 ZINC001276926279 1083684196 /nfs/dbraw/zinc/68/41/96/1083684196.db2.gz PVCOIYNMEJNWLJ-UHFFFAOYSA-N 1 0 303.450 2.159 20 10 DECDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)cc1F ZINC001277010247 1083730901 /nfs/dbraw/zinc/73/09/01/1083730901.db2.gz QSQVTTKGHUQNSW-HOTGVXAUSA-N 1 0 316.380 2.411 20 10 DECDRO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001277441941 1083971420 /nfs/dbraw/zinc/97/14/20/1083971420.db2.gz RUCNPENRVJFWGU-YJBOKZPZSA-N 1 0 302.418 2.473 20 10 DECDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1O ZINC001277519247 1084011469 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COC(=O)C[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235850449 1084549721 /nfs/dbraw/zinc/54/97/21/1084549721.db2.gz YVYXNRVTZQMNQP-OAHLLOKOSA-N 1 0 320.433 2.027 20 10 DECDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000701055027 1086347206 /nfs/dbraw/zinc/34/72/06/1086347206.db2.gz GYZSIVZRRXCVCK-LBPRGKRZSA-N 1 0 320.252 2.358 20 10 DECDRO COC[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001129135302 1086602348 /nfs/dbraw/zinc/60/23/48/1086602348.db2.gz ABFAAKHHMJKMCU-LSDHHAIUSA-N 1 0 322.449 2.128 20 10 DECDRO OC[C@@H](CC(F)F)[NH2+]Cc1c(O)cccc1Br ZINC000717706656 1091258514 /nfs/dbraw/zinc/25/85/14/1091258514.db2.gz JIZZIBWNXAZMDB-SSDOTTSWSA-N 1 0 310.138 2.260 20 10 DECDRO Cc1cccc(C[NH+]2CC3(C2)CCN(Cc2cn[nH]c2)C3)c1O ZINC001276080269 1091514618 /nfs/dbraw/zinc/51/46/18/1091514618.db2.gz NLNHFEMQIQMESB-UHFFFAOYSA-N 1 0 312.417 2.132 20 10 DECDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H](C)[NH2+]1 ZINC001236424231 1138360586 /nfs/dbraw/zinc/36/05/86/1138360586.db2.gz KHDAWAKRLIMFRH-KBPBESRZSA-N 1 0 323.868 2.359 20 10 DECDRO COc1cc(O)c(CN2CC[N@H+](C)CC23CCCC3)cc1OC ZINC001236751143 1138407115 /nfs/dbraw/zinc/40/71/15/1138407115.db2.gz CLZUDQLVCCWVTQ-UHFFFAOYSA-N 1 0 320.433 2.470 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1OC ZINC001236755601 1138410543 /nfs/dbraw/zinc/41/05/43/1138410543.db2.gz FDKGRTFRZMRSMK-DGCLKSJQSA-N 1 0 305.374 2.210 20 10 DECDRO COC(=O)C1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236794680 1138430045 /nfs/dbraw/zinc/43/00/45/1138430045.db2.gz CUCWJLHTDDXVCA-UHFFFAOYSA-N 1 0 313.781 2.439 20 10 DECDRO C[C@]1(CO)CN(Cc2cc(Cl)c(Cl)cc2O)CC[C@@H]1O ZINC001236794805 1138430297 /nfs/dbraw/zinc/43/02/97/1138430297.db2.gz UZOAJDULDARYIQ-UONOGXRCSA-N 1 0 320.216 2.264 20 10 DECDRO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c(O)c1 ZINC001237047691 1138487385 /nfs/dbraw/zinc/48/73/85/1138487385.db2.gz NQLOBDALFUNYJS-UHFFFAOYSA-N 1 0 318.417 2.378 20 10 DECDRO CCOc1ccc(CN2CC([NH+]3CCC(F)CC3)C2)c(O)c1 ZINC001237043150 1138487796 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COc1cccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000373340200 533478085 /nfs/dbraw/zinc/47/80/85/533478085.db2.gz IXUASJTYDSNBCA-INIZCTEOSA-N 1 0 317.389 2.070 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000273533142 130134108 /nfs/dbraw/zinc/13/41/08/130134108.db2.gz WTIWINHFDXGHES-CMPLNLGQSA-N 1 0 317.389 2.492 20 10 DECDRO COCCOCCOCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000274690432 130255321 /nfs/dbraw/zinc/25/53/21/130255321.db2.gz UOOIUUALIMJUHA-ZDUSSCGKSA-N 1 0 315.385 2.252 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278473342 130694281 /nfs/dbraw/zinc/69/42/81/130694281.db2.gz HULIHVCRBIDRDJ-MRXNPFEDSA-N 1 0 313.449 2.245 20 10 DECDRO Cc1ccc(O)c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000285671433 131191672 /nfs/dbraw/zinc/19/16/72/131191672.db2.gz ZUVZNCARKAIQSC-UHFFFAOYSA-N 1 0 324.380 2.477 20 10 DECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)C[NH3+] ZINC000285733282 131197210 /nfs/dbraw/zinc/19/72/10/131197210.db2.gz GTNPSUGMFACXSE-SECBINFHSA-N 1 0 315.211 2.098 20 10 DECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccccc1 ZINC000288549176 131329911 /nfs/dbraw/zinc/32/99/11/131329911.db2.gz LIJQTXXCTJEEOJ-GTNSWQLSSA-N 1 0 301.342 2.333 20 10 DECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000293868091 131776745 /nfs/dbraw/zinc/77/67/45/131776745.db2.gz IRYYGBDQYODXOY-GFCCVEGCSA-N 1 0 324.421 2.051 20 10 DECDRO CC(C)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297826308 132036160 /nfs/dbraw/zinc/03/61/60/132036160.db2.gz JPZDFVWPDQRZPJ-UHFFFAOYSA-N 1 0 303.450 2.489 20 10 DECDRO C[C@@H](CNC(=O)NCc1ccccc1O)[N@@H+]1CCC[C@H](C)C1 ZINC000299517322 132109596 /nfs/dbraw/zinc/10/95/96/132109596.db2.gz PKOJICTWEXZNDD-KBPBESRZSA-N 1 0 305.422 2.312 20 10 DECDRO C[N@H+](CCCO)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000126323559 401689174 /nfs/dbraw/zinc/68/91/74/401689174.db2.gz JYBQNOOZAZKONP-UHFFFAOYSA-N 1 0 312.841 2.324 20 10 DECDRO CCN(CCC[NH2+][C@H](C)c1ccc(C)cc1O)S(C)(=O)=O ZINC000038035466 401921424 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ZINC000186128540 402403716 /nfs/dbraw/zinc/40/37/16/402403716.db2.gz CNXRDPYCYKQBMW-LBPRGKRZSA-N 1 0 324.396 2.209 20 10 DECDRO COc1ccc(C[N@H+](CCO)Cc2ccccc2O)c(OC)c1 ZINC000179574532 402595093 /nfs/dbraw/zinc/59/50/93/402595093.db2.gz SXVZFHVHGSXIPJ-UHFFFAOYSA-N 1 0 317.385 2.404 20 10 DECDRO CCOC(=O)N1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000179748454 402599737 /nfs/dbraw/zinc/59/97/37/402599737.db2.gz QCBKOBRDAJPXAL-UHFFFAOYSA-N 1 0 308.378 2.065 20 10 DECDRO CCC[NH+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000193367387 402771118 /nfs/dbraw/zinc/77/11/18/402771118.db2.gz CRSNMOZRHSKCBW-UHFFFAOYSA-N 1 0 309.366 2.144 20 10 DECDRO COc1cc(O)c(C[NH2+]CCCn2ccnc2C)cc1OC ZINC000271981837 402887738 /nfs/dbraw/zinc/88/77/38/402887738.db2.gz DWGDKUSVXGEQCY-UHFFFAOYSA-N 1 0 305.378 2.094 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000280972447 403055860 /nfs/dbraw/zinc/05/58/60/403055860.db2.gz LKTWJYROWQMOCZ-TZMCWYRMSA-N 1 0 306.406 2.310 20 10 DECDRO CC1CC[NH+](CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000268670954 403104621 /nfs/dbraw/zinc/10/46/21/403104621.db2.gz XGTYJYTXNVSGSR-UHFFFAOYSA-N 1 0 307.413 2.240 20 10 DECDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268871071 403120263 /nfs/dbraw/zinc/12/02/63/403120263.db2.gz VDZBCAYCCKUMFZ-HNNXBMFYSA-N 1 0 306.450 2.410 20 10 DECDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000268905403 403120913 /nfs/dbraw/zinc/12/09/13/403120913.db2.gz LSMMOVHZADFFMH-ZWKOTPCHSA-N 1 0 304.482 2.039 20 10 DECDRO COc1cccc(CNC(=O)c2sccc2C[NH+](C)C)c1O ZINC000269181535 403124518 /nfs/dbraw/zinc/12/45/18/403124518.db2.gz LHBHSJBYSACJFV-UHFFFAOYSA-N 1 0 320.414 2.454 20 10 DECDRO Cc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000282980927 403164342 /nfs/dbraw/zinc/16/43/42/403164342.db2.gz JIIYOTOFKQGYHD-RDJZCZTQSA-N 1 0 305.418 2.358 20 10 DECDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269911207 403175378 /nfs/dbraw/zinc/17/53/78/403175378.db2.gz IHHBXTXYVRZLEQ-AEFFLSMTSA-N 1 0 301.386 2.275 20 10 DECDRO Cc1cc(N2CCC([NH2+]Cc3cccc(C)c3O)CC2)n[nH]1 ZINC000276074056 403144319 /nfs/dbraw/zinc/14/43/19/403144319.db2.gz UISZBJOKZCQLES-UHFFFAOYSA-N 1 0 300.406 2.491 20 10 DECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276822447 403195236 /nfs/dbraw/zinc/19/52/36/403195236.db2.gz PMOKQFPWZPPSPT-CYBMUJFWSA-N 1 0 324.808 2.251 20 10 DECDRO CCOCc1cc(C[NH2+]CC2(O)CC(OCC)C2)ccc1OC ZINC000277699824 403246747 /nfs/dbraw/zinc/24/67/47/403246747.db2.gz LHYKWEYVPRLHMW-UHFFFAOYSA-N 1 0 323.433 2.251 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)cc1F ZINC000271187903 403275535 /nfs/dbraw/zinc/27/55/35/403275535.db2.gz KJPMUEPVDMBVJV-UHFFFAOYSA-N 1 0 307.413 2.369 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H](C(=O)NCC)C(C)C)c(O)c1 ZINC000292925027 403383475 /nfs/dbraw/zinc/38/34/75/403383475.db2.gz IMUFMGXMJIUHAB-INIZCTEOSA-N 1 0 308.422 2.431 20 10 DECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1 ZINC000292962650 403383949 /nfs/dbraw/zinc/38/39/49/403383949.db2.gz JQNDESKHYODXAC-MRXNPFEDSA-N 1 0 314.385 2.497 20 10 DECDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000293022969 403386885 /nfs/dbraw/zinc/38/68/85/403386885.db2.gz PBHDBQSLVKGICY-AWEZNQCLSA-N 1 0 307.390 2.399 20 10 DECDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635398 403524988 /nfs/dbraw/zinc/52/49/88/403524988.db2.gz LUPRZYOBXJGIPN-QGZVFWFLSA-N 1 0 304.390 2.039 20 10 DECDRO Oc1cc2c(cc1CN1C[C@]3(CCCO3)[C@H]1C1CC1)OCO2 ZINC000294214147 403674326 /nfs/dbraw/zinc/67/43/26/403674326.db2.gz YKKVJJKJILCEOQ-IAGOWNOFSA-N 1 0 303.358 2.264 20 10 DECDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(O)c2O)C1 ZINC000288250156 403742758 /nfs/dbraw/zinc/74/27/58/403742758.db2.gz GBPVSNWCCUEIMK-UHFFFAOYSA-N 1 0 312.369 2.054 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](CO)SC)CC2)cc1 ZINC000305138114 403847666 /nfs/dbraw/zinc/84/76/66/403847666.db2.gz PFFOIHSSBXUOGE-SUMWQHHRSA-N 1 0 324.490 2.366 20 10 DECDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289911109 404007730 /nfs/dbraw/zinc/00/77/30/404007730.db2.gz JTDMPWWWWZFETJ-JKSUJKDBSA-N 1 0 301.434 2.073 20 10 DECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000296452744 404254457 /nfs/dbraw/zinc/25/44/57/404254457.db2.gz MUQLIFJFOZFDJF-KOLCDFICSA-N 1 0 320.842 2.024 20 10 DECDRO CCN(CC)c1ccc(CN2CCNC(=O)C[C@@H]2C)cc1F ZINC000367668160 405118880 /nfs/dbraw/zinc/11/88/80/405118880.db2.gz GVLCOBDTTUVELI-ZDUSSCGKSA-N 1 0 307.413 2.382 20 10 DECDRO CC[C@@H](C(=O)NCc1cccc(Br)c1O)[NH+](C)C ZINC000277564703 286741882 /nfs/dbraw/zinc/74/18/82/286741882.db2.gz PVMCFMMSVKEBTJ-NSHDSACASA-N 1 0 315.211 2.111 20 10 DECDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)cn1 ZINC000374247724 227130081 /nfs/dbraw/zinc/13/00/81/227130081.db2.gz OUWJYTFWFXSLAL-CYBMUJFWSA-N 1 0 306.797 2.148 20 10 DECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000374272514 227130617 /nfs/dbraw/zinc/13/06/17/227130617.db2.gz 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ZINC001329878040 1149008639 /nfs/dbraw/zinc/00/86/39/1149008639.db2.gz KYGQXVSGFUGTJI-AWEZNQCLSA-N 1 0 308.422 2.156 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000835029121 649868440 /nfs/dbraw/zinc/86/84/40/649868440.db2.gz QOADPIGVPHNJOR-LLCTXKFZSA-N 1 0 301.434 2.353 20 10 DECDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000177988126 533841775 /nfs/dbraw/zinc/84/17/75/533841775.db2.gz UTEQUUKJPWRRMI-HNNXBMFYSA-N 1 0 319.449 2.042 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)CSC)CC2)cc1 ZINC000305148378 533998454 /nfs/dbraw/zinc/99/84/54/533998454.db2.gz SOKFZDYCNXKRAB-KRWDZBQOSA-N 1 0 324.490 2.368 20 10 DECDRO COCCN1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835034950 649869457 /nfs/dbraw/zinc/86/94/57/649869457.db2.gz CIVHHSQQFBKOAV-SNAWJCMRSA-N 1 0 317.477 2.466 20 10 DECDRO CC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000236984578 519922092 /nfs/dbraw/zinc/92/20/92/519922092.db2.gz AHYYMJIERIXUBW-UHFFFAOYSA-N 1 0 315.417 2.442 20 10 DECDRO CCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000158828975 520237127 /nfs/dbraw/zinc/23/71/27/520237127.db2.gz MULCDQOJJYFNTF-AWEZNQCLSA-N 1 0 309.429 2.265 20 10 DECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC000180411284 520581110 /nfs/dbraw/zinc/58/11/10/520581110.db2.gz UEZDZKQQWOFPTH-IRXDYDNUSA-N 1 0 321.417 2.153 20 10 DECDRO CC[NH+](CC)CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181077788 520589174 /nfs/dbraw/zinc/58/91/74/520589174.db2.gz RKMXUDZQBPWOJZ-CSKARUKUSA-N 1 0 306.406 2.349 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452561 522777740 /nfs/dbraw/zinc/77/77/40/522777740.db2.gz IKCDQLQXEOJXHN-DOMZBBRYSA-N 1 0 307.390 2.410 20 10 DECDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000160572113 522815642 /nfs/dbraw/zinc/81/56/42/522815642.db2.gz MCBOTOCEVRLXIG-CYBMUJFWSA-N 1 0 317.355 2.472 20 10 DECDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000186128345 522942190 /nfs/dbraw/zinc/94/21/90/522942190.db2.gz XOXVXYHKMWXPTM-AWEZNQCLSA-N 1 0 320.433 2.379 20 10 DECDRO COCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000188813557 524037324 /nfs/dbraw/zinc/03/73/24/524037324.db2.gz GGEYKQZVLRDQKG-ZDUSSCGKSA-N 1 0 315.797 2.292 20 10 DECDRO C[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000182230440 524485981 /nfs/dbraw/zinc/48/59/81/524485981.db2.gz GPAJLHZVQPOKCH-OWNNVSBGSA-N 1 0 318.417 2.492 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000363846099 524737440 /nfs/dbraw/zinc/73/74/40/524737440.db2.gz LFEJXILSVPLPLV-AWEZNQCLSA-N 1 0 321.417 2.418 20 10 DECDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000134006424 524777925 /nfs/dbraw/zinc/77/79/25/524777925.db2.gz GQCJQKUPXQWRBZ-HZPDHXFCSA-N 1 0 314.433 2.459 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000151519780 525445426 /nfs/dbraw/zinc/44/54/26/525445426.db2.gz HTYKPNXPYPWXJN-DZGCQCFKSA-N 1 0 322.424 2.301 20 10 DECDRO Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000267034735 526341525 /nfs/dbraw/zinc/34/15/25/526341525.db2.gz LHOMDHIBXOREGZ-GFCCVEGCSA-N 1 0 318.236 2.112 20 10 DECDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000368036243 526910556 /nfs/dbraw/zinc/91/05/56/526910556.db2.gz QYHIIZBUXRBWAF-AWEZNQCLSA-N 1 0 314.389 2.453 20 10 DECDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000265238893 527581731 /nfs/dbraw/zinc/58/17/31/527581731.db2.gz KZIGDGQFNGHEGH-CYBMUJFWSA-N 1 0 305.305 2.083 20 10 DECDRO COC[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)OC ZINC000273481910 536628790 /nfs/dbraw/zinc/62/87/90/536628790.db2.gz UUXVTBFDUYENHN-GXSJLCMTSA-N 1 0 318.211 2.467 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccnc(N(C)C)n2)cc1 ZINC000835042435 649870681 /nfs/dbraw/zinc/87/06/81/649870681.db2.gz HTROYTYEMJHQSM-WAYWQWQTSA-N 1 0 311.433 2.412 20 10 DECDRO CC(C)OC[C@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054830 649873089 /nfs/dbraw/zinc/87/30/89/649873089.db2.gz ZKAVQDVUWHYADZ-DKFQHHCZSA-N 1 0 306.450 2.484 20 10 DECDRO CCOC(=O)CN(Cc1ccccc1O)CC1(OC)CCC1 ZINC001330576631 1149201666 /nfs/dbraw/zinc/20/16/66/1149201666.db2.gz DBHIWZPVYYXPNF-UHFFFAOYSA-N 1 0 307.390 2.326 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000891249902 623794237 /nfs/dbraw/zinc/79/42/37/623794237.db2.gz UHYSMOZCDBOLTM-KBPBESRZSA-N 1 0 311.376 2.127 20 10 DECDRO CS[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251296 623797296 /nfs/dbraw/zinc/79/72/96/623797296.db2.gz BPZLMCUEXRWBPP-WFASDCNBSA-N 1 0 309.479 2.223 20 10 DECDRO COc1cc(C[NH+]2CCC(Cn3ccnn3)CC2)c(O)cc1C ZINC000160480182 623828453 /nfs/dbraw/zinc/82/84/53/623828453.db2.gz DHZBGMLAHLHLFT-UHFFFAOYSA-N 1 0 316.405 2.213 20 10 DECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160759164 624066238 /nfs/dbraw/zinc/06/62/38/624066238.db2.gz HXBZMVHHEZSYSU-OAHLLOKOSA-N 1 0 303.406 2.018 20 10 DECDRO CC[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891409721 624153727 /nfs/dbraw/zinc/15/37/27/624153727.db2.gz IHANAISUYJBLCW-BBRMVZONSA-N 1 0 306.454 2.453 20 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AIJSDDNQZSNIIB-ZFWWWQNUSA-N 1 0 310.463 2.185 20 10 DECDRO COc1ccc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c(O)c1OC ZINC000893461501 633790580 /nfs/dbraw/zinc/79/05/80/633790580.db2.gz PFUBSTRHKARQDE-CQSZACIVSA-N 1 0 308.422 2.181 20 10 DECDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840941661 634997545 /nfs/dbraw/zinc/99/75/45/634997545.db2.gz GTVPTMCHIGMKQL-UHFFFAOYSA-N 1 0 303.450 2.457 20 10 DECDRO CCCN1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000922191168 635982379 /nfs/dbraw/zinc/98/23/79/635982379.db2.gz CBLRALGGNWQAME-HNNXBMFYSA-N 1 0 302.418 2.360 20 10 DECDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922191544 635982538 /nfs/dbraw/zinc/98/25/38/635982538.db2.gz GZASRVSXFAEHNX-CTYIDZIISA-N 1 0 302.418 2.393 20 10 DECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922296236 636067241 /nfs/dbraw/zinc/06/72/41/636067241.db2.gz BWUSFROLJUHUOZ-GOEBONIOSA-N 1 0 315.373 2.323 20 10 DECDRO C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000837625448 650234706 /nfs/dbraw/zinc/23/47/06/650234706.db2.gz BNZGZXCGWKBBTA-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000922724472 636355850 /nfs/dbraw/zinc/35/58/50/636355850.db2.gz KBNHGPNVBSLKLX-SFLUDCRBSA-N 1 0 302.418 2.159 20 10 DECDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1(F)F ZINC000894207991 636434887 /nfs/dbraw/zinc/43/48/87/636434887.db2.gz CELCVDVORIJDLR-GXFFZTMASA-N 1 0 316.323 2.036 20 10 DECDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1(F)F ZINC000894256793 636582050 /nfs/dbraw/zinc/58/20/50/636582050.db2.gz WODLAQRHLVLGOC-UONOGXRCSA-N 1 0 312.360 2.205 20 10 DECDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(O)c2O)C1 ZINC000186948501 636641986 /nfs/dbraw/zinc/64/19/86/636641986.db2.gz XQGAJQQISNEDEG-STQMWFEESA-N 1 0 306.406 2.196 20 10 DECDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000186960650 636649632 /nfs/dbraw/zinc/64/96/32/636649632.db2.gz LXZXIRZZWZKKAE-UHFFFAOYSA-N 1 0 300.358 2.089 20 10 DECDRO COc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)c(O)c1OC ZINC000894282864 636682604 /nfs/dbraw/zinc/68/26/04/636682604.db2.gz AAQVBYDRBBBVGQ-LBPRGKRZSA-N 1 0 309.406 2.392 20 10 DECDRO C[C@@H]1[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000928427348 637083142 /nfs/dbraw/zinc/08/31/42/637083142.db2.gz JNDKGJMRFFIACH-PSASIEDQSA-N 1 0 306.387 2.135 20 10 DECDRO CCn1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1=O ZINC000894589966 637113831 /nfs/dbraw/zinc/11/38/31/637113831.db2.gz NWFRYGJMDRGIDK-UHFFFAOYSA-N 1 0 302.374 2.181 20 10 DECDRO OC[C@]1([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C2CC2)CCCO1 ZINC000894648260 637148744 /nfs/dbraw/zinc/14/87/44/637148744.db2.gz HOJBBECDBGBFIJ-MOPGFXCFSA-N 1 0 317.429 2.421 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C2)cc1 ZINC000895006903 637379258 /nfs/dbraw/zinc/37/92/58/637379258.db2.gz WFTBTSXPDSHRAX-DZGCQCFKSA-N 1 0 306.406 2.063 20 10 DECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000895008378 637380614 /nfs/dbraw/zinc/38/06/14/637380614.db2.gz WJWGUMVBKOEXIX-CYBMUJFWSA-N 1 0 302.378 2.207 20 10 DECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160044496 637487650 /nfs/dbraw/zinc/48/76/50/637487650.db2.gz HZFCLXMNQYOWEP-AWEZNQCLSA-N 1 0 320.433 2.447 20 10 DECDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146446 637788843 /nfs/dbraw/zinc/78/88/43/637788843.db2.gz HTPXUMMTPVEYGP-IAQYHMDHSA-N 1 0 312.360 2.068 20 10 DECDRO Fc1cc(C[NH2+]C2CCOCC2)cc(F)c1N1CCOCC1 ZINC000839146516 637789093 /nfs/dbraw/zinc/78/90/93/637789093.db2.gz KOCDPQCXXSGLQB-UHFFFAOYSA-N 1 0 312.360 2.070 20 10 DECDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000839185531 637812815 /nfs/dbraw/zinc/81/28/15/637812815.db2.gz VRWTYMWKGGDOQJ-CQSZACIVSA-N 1 0 305.349 2.406 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CC2CC2)c(Cl)c1 ZINC000840908614 650376344 /nfs/dbraw/zinc/37/63/44/650376344.db2.gz GSNDZSHXONJHDD-UHFFFAOYSA-N 1 0 317.838 2.268 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000840909374 650376664 /nfs/dbraw/zinc/37/66/64/650376664.db2.gz AMKOEIYKXARQMJ-QGZVFWFLSA-N 1 0 301.434 2.304 20 10 DECDRO O=C1N(CC[NH2+]Cc2ccc3c(c2)CCO3)C[C@H]2CCCCN12 ZINC000895343422 637948362 /nfs/dbraw/zinc/94/83/62/637948362.db2.gz RGSYEUDCTOMTRW-MRXNPFEDSA-N 1 0 315.417 2.001 20 10 DECDRO COc1ccc(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)cc1 ZINC000741246460 637956273 /nfs/dbraw/zinc/95/62/73/637956273.db2.gz YHNPCIGZBUYJHE-GOSISDBHSA-N 1 0 320.433 2.013 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000840920000 650382209 /nfs/dbraw/zinc/38/22/09/650382209.db2.gz FRVDSEBEBMFKFI-MRXNPFEDSA-N 1 0 303.406 2.088 20 10 DECDRO C[NH+](C)CCCNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741873161 638021990 /nfs/dbraw/zinc/02/19/90/638021990.db2.gz CFTZGTRZICDNNH-UHFFFAOYSA-N 1 0 321.490 2.187 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000840935836 650389037 /nfs/dbraw/zinc/38/90/37/650389037.db2.gz AFWIIFXDEOPBFF-INIZCTEOSA-N 1 0 310.463 2.118 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000742377832 638066202 /nfs/dbraw/zinc/06/62/02/638066202.db2.gz XXVFFNXLJSZWQT-UKRRQHHQSA-N 1 0 308.397 2.177 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000840940754 650390108 /nfs/dbraw/zinc/39/01/08/650390108.db2.gz FHFXENNHLKPJTG-UHFFFAOYSA-N 1 0 310.463 2.118 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000840951251 650394237 /nfs/dbraw/zinc/39/42/37/650394237.db2.gz ZDFVFLKZSALRAR-OAHLLOKOSA-N 1 0 324.490 2.318 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000840941793 650391372 /nfs/dbraw/zinc/39/13/72/650391372.db2.gz MDXCWOOXDLWATM-KRWDZBQOSA-N 1 0 301.434 2.258 20 10 DECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000840941425 650391532 /nfs/dbraw/zinc/39/15/32/650391532.db2.gz WRWFGEUHMROWOM-QAPCUYQASA-N 1 0 304.434 2.441 20 10 DECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(O)cccc1OC)C2 ZINC000895583690 638095867 /nfs/dbraw/zinc/09/58/67/638095867.db2.gz OXTPZSHPVPQXIT-SJCJKPOMSA-N 1 0 305.374 2.176 20 10 DECDRO CCOc1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c(O)c1 ZINC000840977928 650398817 /nfs/dbraw/zinc/39/88/17/650398817.db2.gz YQIVLGAPAWGBLI-AWEZNQCLSA-N 1 0 306.406 2.280 20 10 DECDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895875352 638240060 /nfs/dbraw/zinc/24/00/60/638240060.db2.gz MLAOARJNDPJAMB-SNVBAGLBSA-N 1 0 318.398 2.279 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCCn3nccc32)c(O)c1OC ZINC000895879898 638242088 /nfs/dbraw/zinc/24/20/88/638242088.db2.gz DRNROULSVHWANB-LBPRGKRZSA-N 1 0 303.362 2.231 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1OC ZINC000895923302 638268148 /nfs/dbraw/zinc/26/81/48/638268148.db2.gz OLDYJTDJJOOOTQ-ZDUSSCGKSA-N 1 0 309.406 2.392 20 10 DECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895948230 638274884 /nfs/dbraw/zinc/27/48/84/638274884.db2.gz NBAYJQOXIXXTHX-LLVKDONJSA-N 1 0 323.389 2.040 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000745856424 638294531 /nfs/dbraw/zinc/29/45/31/638294531.db2.gz CLWBGEBHBBQCIX-ZBFHGGJFSA-N 1 0 318.465 2.377 20 10 DECDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000745856422 638294556 /nfs/dbraw/zinc/29/45/56/638294556.db2.gz CLWBGEBHBBQCIX-GOEBONIOSA-N 1 0 318.465 2.377 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1O ZINC000841043558 650412444 /nfs/dbraw/zinc/41/24/44/650412444.db2.gz PICJYWVISFDAKQ-MRXNPFEDSA-N 1 0 315.417 2.256 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c(O)c1OC ZINC000896231658 638426390 /nfs/dbraw/zinc/42/63/90/638426390.db2.gz SJCGGXGZHRMZJW-LBPRGKRZSA-N 1 0 319.361 2.090 20 10 DECDRO CCOCc1cc(C[NH2+][C@H](C)CN2CCOCC2)ccc1OC ZINC000747854043 638484429 /nfs/dbraw/zinc/48/44/29/638484429.db2.gz LTWPHIYXLIYVND-OAHLLOKOSA-N 1 0 322.449 2.042 20 10 DECDRO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000841099346 650430459 /nfs/dbraw/zinc/43/04/59/650430459.db2.gz ILBVHYHWNCLJPP-DOTOQJQBSA-N 1 0 308.397 2.250 20 10 DECDRO CC(C)(C)[NH2+]CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896507009 638556728 /nfs/dbraw/zinc/55/67/28/638556728.db2.gz TZEAAFHFHXRJHN-UHFFFAOYSA-N 1 0 308.403 2.430 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896707526 638643646 /nfs/dbraw/zinc/64/36/46/638643646.db2.gz CDKLRELHXQGPAO-SECBINFHSA-N 1 0 308.403 2.383 20 10 DECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1OC ZINC000897049701 639143064 /nfs/dbraw/zinc/14/30/64/639143064.db2.gz IOBXZXAHNUKMMZ-XGHVKYEFSA-N 1 0 323.389 2.182 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000753729072 639335289 /nfs/dbraw/zinc/33/52/89/639335289.db2.gz DZGFDPLCGXFFEC-BBRMVZONSA-N 1 0 310.463 2.371 20 10 DECDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H]3C[C@H]3C)CC2)cc1 ZINC000754131295 639392392 /nfs/dbraw/zinc/39/23/92/639392392.db2.gz VAXKKNVBLFPPTM-SJORKVTESA-N 1 0 317.477 2.453 20 10 DECDRO OC[C@@H](CC1CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000754831877 639482181 /nfs/dbraw/zinc/48/21/81/639482181.db2.gz BCKHIFRSECUDGS-GFCCVEGCSA-N 1 0 300.196 2.405 20 10 DECDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756118601 639626868 /nfs/dbraw/zinc/62/68/68/639626868.db2.gz DXNBTNLGMUFXGT-PBHICJAKSA-N 1 0 322.474 2.200 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)ccc1O ZINC000756433249 639662087 /nfs/dbraw/zinc/66/20/87/639662087.db2.gz CJOQCWGDCVPWEO-GXSJLCMTSA-N 1 0 316.195 2.221 20 10 DECDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@@H]1CN(C)CCO1 ZINC000756760206 639692771 /nfs/dbraw/zinc/69/27/71/639692771.db2.gz POECNJYJTNSHSA-MPXAEWJHSA-N 1 0 308.397 2.388 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCCC[C@H]2C)c1 ZINC000839538793 639752332 /nfs/dbraw/zinc/75/23/32/639752332.db2.gz GPQSFUHETLVIKX-CHWSQXEVSA-N 1 0 306.406 2.452 20 10 DECDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000841655591 650530923 /nfs/dbraw/zinc/53/09/23/650530923.db2.gz SLHYDCMUOJOFGT-SHTZXODSSA-N 1 0 318.465 2.317 20 10 DECDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000841710497 650547855 /nfs/dbraw/zinc/54/78/55/650547855.db2.gz XGAMNIFVKVSPJE-MRXNPFEDSA-N 1 0 316.449 2.228 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000841716628 650549642 /nfs/dbraw/zinc/54/96/42/650549642.db2.gz CDSICORMEVLGDL-PBHICJAKSA-N 1 0 318.465 2.330 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000841718626 650550593 /nfs/dbraw/zinc/55/05/93/650550593.db2.gz WNBFXMHSSOQNGS-YOEHRIQHSA-N 1 0 318.465 2.412 20 10 DECDRO C[C@H](CC[NH+](C)C)NC(=O)NCCCSc1nccs1 ZINC000759573385 640085818 /nfs/dbraw/zinc/08/58/18/640085818.db2.gz FQWCKSDOPCMLHQ-LLVKDONJSA-N 1 0 316.496 2.265 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000841720381 650551340 /nfs/dbraw/zinc/55/13/40/650551340.db2.gz WYIUDUQLBQYSLC-UHFFFAOYSA-N 1 0 304.438 2.213 20 10 DECDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709770 650546977 /nfs/dbraw/zinc/54/69/77/650546977.db2.gz MIMXGMUAALCCAP-RHSMWYFYSA-N 1 0 316.449 2.084 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758866 650558595 /nfs/dbraw/zinc/55/85/95/650558595.db2.gz DIKUFGUBUKRPJS-UHFFFAOYSA-N 1 0 310.417 2.208 20 10 DECDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832603 650574768 /nfs/dbraw/zinc/57/47/68/650574768.db2.gz QMAWAHNRGRTFJC-UHFFFAOYSA-N 1 0 316.449 2.380 20 10 DECDRO CC(C)[C@H]([NH3+])CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841848729 650578721 /nfs/dbraw/zinc/57/87/21/650578721.db2.gz QNDYBVPHEHTDPM-CYBMUJFWSA-N 1 0 318.446 2.029 20 10 DECDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000762645050 640447890 /nfs/dbraw/zinc/44/78/90/640447890.db2.gz QZRMCINUCATAIA-HLIUYOAVSA-N 1 0 322.424 2.474 20 10 DECDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000897479898 640463070 /nfs/dbraw/zinc/46/30/70/640463070.db2.gz LKDGKAXBXJUDRK-QWHCGFSZSA-N 1 0 321.421 2.245 20 10 DECDRO O=C(NCCC[NH2+]C1CC1)NCCCSc1nccs1 ZINC000841856218 650581440 /nfs/dbraw/zinc/58/14/40/650581440.db2.gz HIKSHAKMSDPUOO-UHFFFAOYSA-N 1 0 314.480 2.067 20 10 DECDRO [NH3+]C[C@H]1CCCCN1C(=O)NCCCSc1nccs1 ZINC000841856215 650581451 /nfs/dbraw/zinc/58/14/51/650581451.db2.gz HGRWRJHGGQYHPX-LLVKDONJSA-N 1 0 314.480 2.148 20 10 DECDRO CN(C)c1ccc([C@@H](CNc2ncc(C=O)cn2)[NH+](C)C)cc1 ZINC000897523649 640542754 /nfs/dbraw/zinc/54/27/54/640542754.db2.gz WKQQLRYKYSZEDX-MRXNPFEDSA-N 1 0 313.405 2.070 20 10 DECDRO C[NH+](C)CC1(CNC(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000841878528 650589245 /nfs/dbraw/zinc/58/92/45/650589245.db2.gz YVXWJUNLYWDIQZ-UHFFFAOYSA-N 1 0 318.465 2.233 20 10 DECDRO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881551 650591228 /nfs/dbraw/zinc/59/12/28/650591228.db2.gz SFNOXECPPWAKSC-IJEWVQPXSA-N 1 0 318.465 2.440 20 10 DECDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000237472004 640675707 /nfs/dbraw/zinc/67/57/07/640675707.db2.gz ZNSLLAVNGYGSJO-UHFFFAOYSA-N 1 0 313.401 2.217 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000841922762 650603613 /nfs/dbraw/zinc/60/36/13/650603613.db2.gz QFTHUTUBGWRVSV-LBPRGKRZSA-N 1 0 321.421 2.423 20 10 DECDRO Cc1nccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000765251196 640757191 /nfs/dbraw/zinc/75/71/91/640757191.db2.gz MUZPMCDBQTVGGX-AWEZNQCLSA-N 1 0 312.417 2.472 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000729493824 640759644 /nfs/dbraw/zinc/75/96/44/640759644.db2.gz GASYZNYBBMETPI-UHFFFAOYSA-N 1 0 318.465 2.426 20 10 DECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000765386025 640771840 /nfs/dbraw/zinc/77/18/40/640771840.db2.gz QYIFDTUPSLIECS-QWRGUYRKSA-N 1 0 317.355 2.470 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000841943093 650608023 /nfs/dbraw/zinc/60/80/23/650608023.db2.gz FJAGVJOMWSKUDB-INIZCTEOSA-N 1 0 318.465 2.426 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925313806 640810086 /nfs/dbraw/zinc/81/00/86/640810086.db2.gz PNVPMXDJSIVUEZ-PBHICJAKSA-N 1 0 318.465 2.377 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000765750276 640815341 /nfs/dbraw/zinc/81/53/41/640815341.db2.gz GHNSLDPMZQJKTC-GJZGRUSLSA-N 1 0 318.465 2.377 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3nncn3C)CC2)cc1 ZINC000765749187 640815362 /nfs/dbraw/zinc/81/53/62/640815362.db2.gz TVODRSHWDCDYJF-ZDUSSCGKSA-N 1 0 315.421 2.143 20 10 DECDRO O=C(C[NH2+]Cc1ccc2c(c1)CCO2)N1CCc2ccccc21 ZINC000729685168 640825511 /nfs/dbraw/zinc/82/55/11/640825511.db2.gz VZISNGLCEZMKJP-UHFFFAOYSA-N 1 0 308.381 2.300 20 10 DECDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841953032 650610481 /nfs/dbraw/zinc/61/04/81/650610481.db2.gz BLFGUBONZGJRLI-HNNXBMFYSA-N 1 0 306.454 2.267 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841965885 650615336 /nfs/dbraw/zinc/61/53/36/650615336.db2.gz LFFWTIJDRWTJQV-INIZCTEOSA-N 1 0 304.438 2.021 20 10 DECDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000766666337 640902454 /nfs/dbraw/zinc/90/24/54/640902454.db2.gz OVQQWVQJBWUMSU-INIZCTEOSA-N 1 0 323.458 2.280 20 10 DECDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2O)CCOCC1 ZINC000897745530 640927878 /nfs/dbraw/zinc/92/78/78/640927878.db2.gz JOYBZHIJLWMASD-CYBMUJFWSA-N 1 0 307.390 2.230 20 10 DECDRO C[N@H+](Cc1cnc(N)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000768209030 641059327 /nfs/dbraw/zinc/05/93/27/641059327.db2.gz XJIOZRXHRSDWEZ-UHFFFAOYSA-N 1 0 318.446 2.194 20 10 DECDRO COc1cccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1O ZINC000768252116 641062588 /nfs/dbraw/zinc/06/25/88/641062588.db2.gz XPDDDUKZXUWUCP-INIZCTEOSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1ncsc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447509 641082013 /nfs/dbraw/zinc/08/20/13/641082013.db2.gz QYBMZRSYSZAVAX-ZDUSSCGKSA-N 1 0 306.387 2.215 20 10 DECDRO O=C1OCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CCN12 ZINC000768464872 641084619 /nfs/dbraw/zinc/08/46/19/641084619.db2.gz FMZFVUVOKOCSLD-MRXNPFEDSA-N 1 0 316.401 2.298 20 10 DECDRO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768465373 641084805 /nfs/dbraw/zinc/08/48/05/641084805.db2.gz HNYSIJXHIAZERU-GDBMZVCRSA-N 1 0 309.431 2.391 20 10 DECDRO COc1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(O)cc1C ZINC000768463384 641084881 /nfs/dbraw/zinc/08/48/81/641084881.db2.gz HXVLGRVZUMXOII-INIZCTEOSA-N 1 0 321.417 2.479 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1OC ZINC000768462735 641085025 /nfs/dbraw/zinc/08/50/25/641085025.db2.gz COOASPPSBSNGGX-JSGCOSHPSA-N 1 0 307.390 2.410 20 10 DECDRO Cc1cc(O)c(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1C ZINC000768652817 641109856 /nfs/dbraw/zinc/10/98/56/641109856.db2.gz YXNXLHLAQQJOJA-UHFFFAOYSA-N 1 0 311.447 2.314 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c1 ZINC000769188811 641190979 /nfs/dbraw/zinc/19/09/79/641190979.db2.gz JIYHUEBXYZJVSZ-ZDUSSCGKSA-N 1 0 306.406 2.268 20 10 DECDRO CCOc1ccc(C[NH+]2CCC(OCCOC)CC2)c(O)c1 ZINC000769402247 641233390 /nfs/dbraw/zinc/23/33/90/641233390.db2.gz GIBZPQQHFFKSCX-UHFFFAOYSA-N 1 0 309.406 2.418 20 10 DECDRO COc1cccc(CNC(=O)CCCC[NH+]2CCCC2)c1O ZINC000769507352 641253294 /nfs/dbraw/zinc/25/32/94/641253294.db2.gz HHOVOJNPZFKEFV-UHFFFAOYSA-N 1 0 306.406 2.283 20 10 DECDRO COc1cccc(O)c1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000770380416 641362975 /nfs/dbraw/zinc/36/29/75/641362975.db2.gz HNFSXCUMCRPFFS-RVSPLBMKSA-N 1 0 307.390 2.169 20 10 DECDRO C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc(N(C)C)cc1 ZINC000842205538 650670975 /nfs/dbraw/zinc/67/09/75/650670975.db2.gz HIJXXGCNELXBEO-ZDUSSCGKSA-N 1 0 301.438 2.403 20 10 DECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)CC2 ZINC000927103799 641628612 /nfs/dbraw/zinc/62/86/12/641628612.db2.gz SQLDHDMKQIMSJY-HOTGVXAUSA-N 1 0 302.418 2.222 20 10 DECDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCOC1 ZINC000898449422 641660866 /nfs/dbraw/zinc/66/08/66/641660866.db2.gz FCHPFOWTUAMGDM-LESCRADOSA-N 1 0 305.466 2.370 20 10 DECDRO CN(C)c1ccc([C@H](C[NH2+]CC[C@@H]2CCOC2)N(C)C)cc1 ZINC000898449613 641660937 /nfs/dbraw/zinc/66/09/37/641660937.db2.gz IBJJNIHJRVLSDB-QAPCUYQASA-N 1 0 305.466 2.372 20 10 DECDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000773741760 641818483 /nfs/dbraw/zinc/81/84/83/641818483.db2.gz XNPZFHWDJYOGGY-RWMBFGLXSA-N 1 0 306.406 2.018 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000773748779 641819131 /nfs/dbraw/zinc/81/91/31/641819131.db2.gz AZBVPSZCHYVACW-SFHVURJKSA-N 1 0 317.477 2.297 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=O)NC/C=C\Cl)[NH+](C)C)cc1 ZINC000899029267 641905049 /nfs/dbraw/zinc/90/50/49/641905049.db2.gz JBPVZXARSUYFAT-WSVPDTOYSA-N 1 0 324.856 2.407 20 10 DECDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258850 642022112 /nfs/dbraw/zinc/02/21/12/642022112.db2.gz KYVCSEKQSVCWFB-HNNXBMFYSA-N 1 0 319.449 2.042 20 10 DECDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(OC)c2O)C1 ZINC000775347771 642033215 /nfs/dbraw/zinc/03/32/15/642033215.db2.gz FZKIDKQIWMWFHS-TZMCWYRMSA-N 1 0 322.405 2.357 20 10 DECDRO COc1ccc(O)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000775727035 642085438 /nfs/dbraw/zinc/08/54/38/642085438.db2.gz GBQCNYIUMFMFEU-MRXNPFEDSA-N 1 0 307.390 2.171 20 10 DECDRO CN(C)c1ccc([C@@H](CNC(=S)NC2(C)CC2)[NH+](C)C)cc1 ZINC000899725748 642150584 /nfs/dbraw/zinc/15/05/84/642150584.db2.gz ZPGLJPXBLXRNEF-OAHLLOKOSA-N 1 0 320.506 2.372 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1C ZINC000776520279 642180232 /nfs/dbraw/zinc/18/02/32/642180232.db2.gz LMQDPUNJDWEFKC-KRWDZBQOSA-N 1 0 309.406 2.191 20 10 DECDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000777220388 642247318 /nfs/dbraw/zinc/24/73/18/642247318.db2.gz QITVACHCXIBLIB-NSHDSACASA-N 1 0 324.421 2.144 20 10 DECDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000779019023 642455517 /nfs/dbraw/zinc/45/55/17/642455517.db2.gz OFZARAIJEKGIJX-LLVKDONJSA-N 1 0 320.286 2.126 20 10 DECDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000783534693 643015738 /nfs/dbraw/zinc/01/57/38/643015738.db2.gz GNLKAEFGPPJIKT-RDBSUJKOSA-N 1 0 310.413 2.472 20 10 DECDRO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000783538362 643016495 /nfs/dbraw/zinc/01/64/95/643016495.db2.gz KLSVFBLGDNIIIJ-INIZCTEOSA-N 1 0 313.401 2.287 20 10 DECDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000902467227 643049525 /nfs/dbraw/zinc/04/95/25/643049525.db2.gz NUGXKUYYOUUUNX-GUDXXQAFSA-N 1 0 319.424 2.206 20 10 DECDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(N2CCOCC2)cc1 ZINC000787765680 643538933 /nfs/dbraw/zinc/53/89/33/643538933.db2.gz CKMDKRKVGXTYLR-GJZGRUSLSA-N 1 0 304.434 2.257 20 10 DECDRO CCn1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1=O ZINC000788606260 643627707 /nfs/dbraw/zinc/62/77/07/643627707.db2.gz WZGUPNUUAKISCV-LBPRGKRZSA-N 1 0 302.374 2.433 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843045053 650875809 /nfs/dbraw/zinc/87/58/09/650875809.db2.gz HEYRCDBFXUDNMP-QAPCUYQASA-N 1 0 303.450 2.225 20 10 DECDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccccc1O ZINC000790541217 643864837 /nfs/dbraw/zinc/86/48/37/643864837.db2.gz IKXNOTXXIPDPLA-HNNXBMFYSA-N 1 0 305.422 2.312 20 10 DECDRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c(C)n1-c1ccccn1 ZINC000791250683 643943805 /nfs/dbraw/zinc/94/38/05/643943805.db2.gz STVBUXWRTZKMJM-UHFFFAOYSA-N 1 0 324.428 2.267 20 10 DECDRO CC[C@H](C)NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905528585 643945868 /nfs/dbraw/zinc/94/58/68/643945868.db2.gz DXSAPEHUVMIHGC-AWEZNQCLSA-N 1 0 320.506 2.201 20 10 DECDRO Cn1cnc(/C=C\C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000906032737 644118790 /nfs/dbraw/zinc/11/87/90/644118790.db2.gz SOOFFEDJYMRAOB-FPISAVPCSA-N 1 0 324.428 2.343 20 10 DECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1C ZINC000792985551 644177052 /nfs/dbraw/zinc/17/70/52/644177052.db2.gz ZWNODOZJBYDWBB-HUBLWGQQSA-N 1 0 307.390 2.468 20 10 DECDRO Fc1ncccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793284869 644225253 /nfs/dbraw/zinc/22/52/53/644225253.db2.gz KSBADZYCLAXUIY-UHFFFAOYSA-N 1 0 301.365 2.347 20 10 DECDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cc2c(cc1O)OCO2 ZINC000843130134 650902829 /nfs/dbraw/zinc/90/28/29/650902829.db2.gz YGSCVXXMALTETF-OAHLLOKOSA-N 1 0 312.369 2.179 20 10 DECDRO c1cc(N2CCOCC2)ccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129723 650902976 /nfs/dbraw/zinc/90/29/76/650902976.db2.gz YSNDZOVFYJJLKG-SFHVURJKSA-N 1 0 315.461 2.288 20 10 DECDRO CCOc1cccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000793393896 644245249 /nfs/dbraw/zinc/24/52/49/644245249.db2.gz DIHFNOWUZQTBEC-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO CCOC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000793544416 644270465 /nfs/dbraw/zinc/27/04/65/644270465.db2.gz WCGKDFZLDPLJDI-OAHLLOKOSA-N 1 0 307.390 2.209 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000793591025 644277064 /nfs/dbraw/zinc/27/70/64/644277064.db2.gz QKJRSBKOOFZQJA-SJORKVTESA-N 1 0 319.493 2.420 20 10 DECDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@]2(CCOC2)O1 ZINC000794708664 644464083 /nfs/dbraw/zinc/46/40/83/644464083.db2.gz YESKWPIBNLGFJB-ACJLOTCBSA-N 1 0 314.385 2.320 20 10 DECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000794830573 644481518 /nfs/dbraw/zinc/48/15/18/644481518.db2.gz YGFQIADDANKOFP-SECBINFHSA-N 1 0 303.811 2.273 20 10 DECDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808421591 646082570 /nfs/dbraw/zinc/08/25/70/646082570.db2.gz OCMXSJSXXHPSAY-OAHLLOKOSA-N 1 0 310.413 2.016 20 10 DECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000808430903 646084069 /nfs/dbraw/zinc/08/40/69/646084069.db2.gz LITPVYJPICXHMP-HNNXBMFYSA-N 1 0 302.374 2.052 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C)ccc3O)[C@@H]2C1 ZINC000808445806 646086093 /nfs/dbraw/zinc/08/60/93/646086093.db2.gz ZXWCKXDRMJMCTI-USXIJHARSA-N 1 0 302.418 2.437 20 10 DECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1O ZINC000808712143 646131270 /nfs/dbraw/zinc/13/12/70/646131270.db2.gz CAYGKALAZIIBIP-JTQLQIEISA-N 1 0 322.796 2.158 20 10 DECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000809788005 646283394 /nfs/dbraw/zinc/28/33/94/646283394.db2.gz LJFUUWDEWIUDHV-APHBMKBZSA-N 1 0 306.381 2.268 20 10 DECDRO CC[S@](=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000164067612 646415012 /nfs/dbraw/zinc/41/50/12/646415012.db2.gz PVZIFQPCEQDUHJ-MRXNPFEDSA-N 1 0 306.225 2.013 20 10 DECDRO CCN(CC)C(=O)C[NH2+]Cc1cc(Br)ccc1O ZINC000227440473 646601640 /nfs/dbraw/zinc/60/16/40/646601640.db2.gz UVFVYINJUZEBAI-UHFFFAOYSA-N 1 0 315.211 2.113 20 10 DECDRO COCC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000812298592 646628964 /nfs/dbraw/zinc/62/89/64/646628964.db2.gz XVJKOSGNYQPGFJ-AWEZNQCLSA-N 1 0 302.374 2.178 20 10 DECDRO Cc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1N(C)C ZINC000815061185 646961080 /nfs/dbraw/zinc/96/10/80/646961080.db2.gz LQEXNPSNQQGNDC-UHFFFAOYSA-N 1 0 306.450 2.424 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1N(C)C ZINC000815099854 646968105 /nfs/dbraw/zinc/96/81/05/646968105.db2.gz GGZMPQXXOGGDNE-ZMSDIMECSA-N 1 0 301.434 2.147 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816654412 647163302 /nfs/dbraw/zinc/16/33/02/647163302.db2.gz GYTNKGSMDUTNAC-UHFFFAOYSA-N 1 0 322.405 2.454 20 10 DECDRO COc1cccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000152504580 647199979 /nfs/dbraw/zinc/19/99/79/647199979.db2.gz JNAAHFPDYODNET-UHFFFAOYSA-N 1 0 308.378 2.110 20 10 DECDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000914338573 647271952 /nfs/dbraw/zinc/27/19/52/647271952.db2.gz ZEYYUKTZTIVEHZ-GFCCVEGCSA-N 1 0 309.385 2.062 20 10 DECDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000817370901 647279193 /nfs/dbraw/zinc/27/91/93/647279193.db2.gz VBTURNFSEOZDIA-GFCCVEGCSA-N 1 0 320.433 2.266 20 10 DECDRO C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817893083 647373725 /nfs/dbraw/zinc/37/37/25/647373725.db2.gz DNICTRBYGNIUFI-DYVFJYSZSA-N 1 0 321.440 2.017 20 10 DECDRO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942249 647388833 /nfs/dbraw/zinc/38/88/33/647388833.db2.gz NKWKAMDCUSJSNR-IAGOWNOFSA-N 1 0 301.438 2.227 20 10 DECDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000817941449 647389082 /nfs/dbraw/zinc/38/90/82/647389082.db2.gz JTEWUBQWKXUBLY-IRXDYDNUSA-N 1 0 303.450 2.301 20 10 DECDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817944405 647389592 /nfs/dbraw/zinc/38/95/92/647389592.db2.gz BBUUORJARQKZTB-CHWSQXEVSA-N 1 0 309.841 2.189 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000817943559 647389925 /nfs/dbraw/zinc/38/99/25/647389925.db2.gz VLQTUABSEQJFGU-DLBZAZTESA-N 1 0 313.449 2.153 20 10 DECDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817946000 647390562 /nfs/dbraw/zinc/39/05/62/647390562.db2.gz PMWUBKFVRVVQLG-ZBFHGGJFSA-N 1 0 321.440 2.455 20 10 DECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966323 647395832 /nfs/dbraw/zinc/39/58/32/647395832.db2.gz LJOJJAZHYAEPFG-SJKOYZFVSA-N 1 0 306.406 2.219 20 10 DECDRO COc1ccc(-n2c(C)cc(C(=O)N(C)CC[NH3+])c2C)cc1 ZINC000818010854 647405429 /nfs/dbraw/zinc/40/54/29/647405429.db2.gz XCZOZTGJTIDKFV-UHFFFAOYSA-N 1 0 301.390 2.133 20 10 DECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnn3C)C2)cc1 ZINC000818221362 647436115 /nfs/dbraw/zinc/43/61/15/647436115.db2.gz RFJSZGRJONXQBK-CQSZACIVSA-N 1 0 300.406 2.045 20 10 DECDRO CN1C(=O)CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000818233986 647437437 /nfs/dbraw/zinc/43/74/37/647437437.db2.gz RWPBZLRNXCYNNA-INIZCTEOSA-N 1 0 324.380 2.296 20 10 DECDRO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818973266 647553892 /nfs/dbraw/zinc/55/38/92/647553892.db2.gz OMLPKRKHPCYKPT-GOSISDBHSA-N 1 0 306.450 2.410 20 10 DECDRO CCOC(=O)CN(CCC1(O)CCC1)Cc1ccccc1O ZINC000823576528 648445545 /nfs/dbraw/zinc/44/55/45/648445545.db2.gz RKLRKMDACSICJW-UHFFFAOYSA-N 1 0 307.390 2.062 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000824558962 648610561 /nfs/dbraw/zinc/61/05/61/648610561.db2.gz ATSYGHIYTUQKRN-LJQANCHMSA-N 1 0 319.493 2.469 20 10 DECDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000824608246 648622926 /nfs/dbraw/zinc/62/29/26/648622926.db2.gz DVBURKUFHRVRIH-MRXNPFEDSA-N 1 0 305.422 2.415 20 10 DECDRO COc1cccc(O)c1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805930 648655882 /nfs/dbraw/zinc/65/58/82/648655882.db2.gz TYISGAIIZBFXAL-UHFFFAOYSA-N 1 0 317.364 2.257 20 10 DECDRO Cc1cc(Cl)cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1O ZINC000824926786 648673525 /nfs/dbraw/zinc/67/35/25/648673525.db2.gz UHKUELPXKOWBIW-BETUJISGSA-N 1 0 312.841 2.241 20 10 DECDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000825005366 648683855 /nfs/dbraw/zinc/68/38/55/648683855.db2.gz IOVAZRQVXJGJOH-SFHVURJKSA-N 1 0 317.477 2.439 20 10 DECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000825045066 648691321 /nfs/dbraw/zinc/69/13/21/648691321.db2.gz BKLQXEDNYGIMIV-MAUKXSAKSA-N 1 0 314.433 2.496 20 10 DECDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000825098648 648703129 /nfs/dbraw/zinc/70/31/29/648703129.db2.gz MAHHJBMHQBNOPR-QGZVFWFLSA-N 1 0 317.477 2.439 20 10 DECDRO COc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000825338760 648745299 /nfs/dbraw/zinc/74/52/99/648745299.db2.gz ULOVRIDVTGVPSE-CQSZACIVSA-N 1 0 308.422 2.324 20 10 DECDRO C[C@](CO)([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000825436476 648761600 /nfs/dbraw/zinc/76/16/00/648761600.db2.gz UXLUOMCOBVAVGX-CYBMUJFWSA-N 1 0 300.196 2.405 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC000826020315 648838729 /nfs/dbraw/zinc/83/87/29/648838729.db2.gz RCFGXIKPULAEFP-PBHICJAKSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)c2nccs2)c1 ZINC000182434663 648906538 /nfs/dbraw/zinc/90/65/38/648906538.db2.gz MTAXAVVIKIZXPG-SNVBAGLBSA-N 1 0 321.402 2.171 20 10 DECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Cl ZINC000827001709 648958845 /nfs/dbraw/zinc/95/88/45/648958845.db2.gz XTTXLRCSTAYWAF-GFCCVEGCSA-N 1 0 310.781 2.381 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000827340540 649018291 /nfs/dbraw/zinc/01/82/91/649018291.db2.gz GDULERJCSJYBHC-UHFFFAOYSA-N 1 0 312.417 2.317 20 10 DECDRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccccc2O)cc(Cl)n1 ZINC000828015571 649121242 /nfs/dbraw/zinc/12/12/42/649121242.db2.gz JBKOHRALUZKJGG-ZDUSSCGKSA-N 1 0 319.792 2.455 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000828667199 649207942 /nfs/dbraw/zinc/20/79/42/649207942.db2.gz OAKDGFWPTPXCTO-LBPRGKRZSA-N 1 0 306.406 2.358 20 10 DECDRO Cc1cc(NC(=O)C2=CC(=O)CS2)n(C2CC[NH+](C)CC2)n1 ZINC000829786064 649355681 /nfs/dbraw/zinc/35/56/81/649355681.db2.gz VIGZNNPXZJPABP-UHFFFAOYSA-N 1 0 320.418 2.478 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000830124843 649397179 /nfs/dbraw/zinc/39/71/79/649397179.db2.gz RDSJZLDYOCNENF-MRXNPFEDSA-N 1 0 317.433 2.417 20 10 DECDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185021820 649423539 /nfs/dbraw/zinc/42/35/39/649423539.db2.gz WXXRTGHQWYFKMG-KGLIPLIRSA-N 1 0 309.429 2.208 20 10 DECDRO COc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000733329012 649543781 /nfs/dbraw/zinc/54/37/81/649543781.db2.gz KAXKEHRNNMJVJH-KRWDZBQOSA-N 1 0 320.433 2.134 20 10 DECDRO CN(C)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000733330817 649546353 /nfs/dbraw/zinc/54/63/53/649546353.db2.gz OTOGKXSVCUFWAY-IBGZPJMESA-N 1 0 317.477 2.486 20 10 DECDRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(F)ccc1O ZINC000185578331 649563114 /nfs/dbraw/zinc/56/31/14/649563114.db2.gz HUXYEQSQCQPWLI-LLVKDONJSA-N 1 0 318.348 2.246 20 10 DECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761073 649628894 /nfs/dbraw/zinc/62/88/94/649628894.db2.gz PLCFIZNMIHJKRI-NEPJUHHUSA-N 1 0 314.376 2.314 20 10 DECDRO CC(C)c1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000832272240 649691020 /nfs/dbraw/zinc/69/10/20/649691020.db2.gz CUNYQWSWNVPAGC-CQSZACIVSA-N 1 0 316.405 2.294 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccnc2Cl)cc1 ZINC000832282335 649691878 /nfs/dbraw/zinc/69/18/78/649691878.db2.gz YUOKHPKLDDZLIU-AWEZNQCLSA-N 1 0 318.808 2.231 20 10 DECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(C)nc2)cc1 ZINC000844401263 651123447 /nfs/dbraw/zinc/12/34/47/651123447.db2.gz LGNUJECDTKJEBH-UHFFFAOYSA-N 1 0 300.406 2.362 20 10 DECDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000844902206 651181180 /nfs/dbraw/zinc/18/11/80/651181180.db2.gz LBFLYGGKEWKJTL-BJJXKVORSA-N 1 0 308.397 2.250 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000846011990 651301676 /nfs/dbraw/zinc/30/16/76/651301676.db2.gz SJHABALAYMXVPK-IBGZPJMESA-N 1 0 313.397 2.367 20 10 DECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000846060364 651305072 /nfs/dbraw/zinc/30/50/72/651305072.db2.gz LKBZVMLUALQVPM-LRDDRELGSA-N 1 0 315.369 2.308 20 10 DECDRO CCOc1ccc(O)c(CN2CC[N@H+](CCOC)CC2(C)C)c1 ZINC000846101666 651307714 /nfs/dbraw/zinc/30/77/14/651307714.db2.gz GEDYAHZTXXYCLD-UHFFFAOYSA-N 1 0 322.449 2.334 20 10 DECDRO CN(C)c1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000846134628 651310084 /nfs/dbraw/zinc/31/00/84/651310084.db2.gz XWXNOJVFFPDEPN-UHFFFAOYSA-N 1 0 304.438 2.023 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000846145513 651310754 /nfs/dbraw/zinc/31/07/54/651310754.db2.gz OGBSMAZAIJSBIC-UHFFFAOYSA-N 1 0 318.465 2.331 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000846155393 651311695 /nfs/dbraw/zinc/31/16/95/651311695.db2.gz SPQGIAUXSPMJSN-GFQSEFKGSA-N 1 0 304.390 2.061 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000846160165 651311935 /nfs/dbraw/zinc/31/19/35/651311935.db2.gz UATZVWUPNJBRHA-AHIWAGSCSA-N 1 0 307.390 2.390 20 10 DECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000846166592 651312561 /nfs/dbraw/zinc/31/25/61/651312561.db2.gz AKTKLZRICIYFJL-SLEUVZQESA-N 1 0 311.422 2.209 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000846167143 651312586 /nfs/dbraw/zinc/31/25/86/651312586.db2.gz GZDCVUAXJPSLJG-NSHDSACASA-N 1 0 313.419 2.019 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846676882 651344927 /nfs/dbraw/zinc/34/49/27/651344927.db2.gz KCWSOJCUFUQYPG-IRXDYDNUSA-N 1 0 314.429 2.418 20 10 DECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846676881 651345010 /nfs/dbraw/zinc/34/50/10/651345010.db2.gz KCWSOJCUFUQYPG-IAGOWNOFSA-N 1 0 314.429 2.418 20 10 DECDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000846677054 651345183 /nfs/dbraw/zinc/34/51/83/651345183.db2.gz MSUGYSYZDVEDGV-XJKSGUPXSA-N 1 0 302.418 2.405 20 10 DECDRO Cc1cc(C(=O)NCCC2(C[NH3+])CC2)c(C)n1-c1ccccn1 ZINC000846692034 651346223 /nfs/dbraw/zinc/34/62/23/651346223.db2.gz NSRBIVXGGDEHGE-UHFFFAOYSA-N 1 0 312.417 2.348 20 10 DECDRO CC[N@H+](C)C[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765953 651350233 /nfs/dbraw/zinc/35/02/33/651350233.db2.gz GIXJOJMRCKHAPB-IBGZPJMESA-N 1 0 319.493 2.421 20 10 DECDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562032 651471131 /nfs/dbraw/zinc/47/11/31/651471131.db2.gz FTKBWSSSWXVVNJ-KFWWJZLASA-N 1 0 304.434 2.209 20 10 DECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 ZINC000848918598 651561236 /nfs/dbraw/zinc/56/12/36/651561236.db2.gz FHISOPDDLZHAIK-INIZCTEOSA-N 1 0 302.418 2.437 20 10 DECDRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000848930751 651565399 /nfs/dbraw/zinc/56/53/99/651565399.db2.gz WACPKWBYAVWXEM-UHFFFAOYSA-N 1 0 315.369 2.406 20 10 DECDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2O)cc1OC ZINC000849058192 651596645 /nfs/dbraw/zinc/59/66/45/651596645.db2.gz VJDJMUHUALROHN-UHFFFAOYSA-N 1 0 315.373 2.224 20 10 DECDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCC3)cc2F)C[C@@H](C)O1 ZINC000849110871 651602577 /nfs/dbraw/zinc/60/25/77/651602577.db2.gz FCXURNQRGUAUQD-CHWSQXEVSA-N 1 0 320.412 2.169 20 10 DECDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000855162641 651637581 /nfs/dbraw/zinc/63/75/81/651637581.db2.gz ZLQJKRUBQLLBON-BRLPQQTGSA-N 1 0 318.417 2.348 20 10 DECDRO COc1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850150304 651843729 /nfs/dbraw/zinc/84/37/29/651843729.db2.gz GRQYBFJZAJPKOU-CYBMUJFWSA-N 1 0 320.433 2.409 20 10 DECDRO COc1cc(C[NH2+]CC[C@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850338010 651902176 /nfs/dbraw/zinc/90/21/76/651902176.db2.gz CQNOLYXOHOSCJM-SFHVURJKSA-N 1 0 323.433 2.329 20 10 DECDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1cc(OC)ccc1O ZINC000850442410 651929997 /nfs/dbraw/zinc/92/99/97/651929997.db2.gz CWSCQVNTMUWFDV-HNNXBMFYSA-N 1 0 309.406 2.322 20 10 DECDRO CON(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000850478936 651936051 /nfs/dbraw/zinc/93/60/51/651936051.db2.gz HTTSYULFZGPMER-VIFPVBQESA-N 1 0 303.200 2.299 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCNC2=O)c1O ZINC000850481035 651936715 /nfs/dbraw/zinc/93/67/15/651936715.db2.gz GUOWMDHBXIXEFW-KWQFWETISA-N 1 0 313.195 2.002 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3cnccn3)C2)cc1 ZINC000850486694 651937631 /nfs/dbraw/zinc/93/76/31/651937631.db2.gz JNEBJAOXGTVNQG-CABCVRRESA-N 1 0 312.417 2.285 20 10 DECDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(N2CCOCC2)cc1Cl ZINC000850509008 651941331 /nfs/dbraw/zinc/94/13/31/651941331.db2.gz OFMRGGRCLJHLSV-ZRMMWKCHSA-N 1 0 310.825 2.376 20 10 DECDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(N2CCOCC2)cc1Cl ZINC000850509003 651941557 /nfs/dbraw/zinc/94/15/57/651941557.db2.gz OFMRGGRCLJHLSV-IBUXWKBASA-N 1 0 310.825 2.376 20 10 DECDRO OC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850567748 651953675 /nfs/dbraw/zinc/95/36/75/651953675.db2.gz IHHAJOZLONXOEE-UHFFFAOYSA-N 1 0 304.434 2.041 20 10 DECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568478 651954555 /nfs/dbraw/zinc/95/45/55/651954555.db2.gz YKUUOEFQQRAUAA-HNNXBMFYSA-N 1 0 314.433 2.023 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851656318 652200368 /nfs/dbraw/zinc/20/03/68/652200368.db2.gz IEEHRSGEPZPWKG-DYVFJYSZSA-N 1 0 318.465 2.330 20 10 DECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000858327328 652307542 /nfs/dbraw/zinc/30/75/42/652307542.db2.gz OTFJEMQSWQDYEY-HIFRSBDPSA-N 1 0 320.368 2.203 20 10 DECDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000858353606 652315343 /nfs/dbraw/zinc/31/53/43/652315343.db2.gz MGPQCIADRYPWJH-ZDUSSCGKSA-N 1 0 303.406 2.150 20 10 DECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)cc1 ZINC000858434662 652335820 /nfs/dbraw/zinc/33/58/20/652335820.db2.gz MJJVRGPYGOJHOY-CZUORRHYSA-N 1 0 302.422 2.260 20 10 DECDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852631764 652430686 /nfs/dbraw/zinc/43/06/86/652430686.db2.gz JATDQAOCYSHVAG-HNNXBMFYSA-N 1 0 304.438 2.036 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000853122371 652506517 /nfs/dbraw/zinc/50/65/17/652506517.db2.gz PGCDYKKPTJYNQL-UHFFFAOYSA-N 1 0 304.434 2.042 20 10 DECDRO COc1ccc(N2CC[C@@H](N[C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217676 652658902 /nfs/dbraw/zinc/65/89/02/652658902.db2.gz OPLGFWJTGFLPQW-DAYGRLMNSA-N 1 0 303.450 2.394 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119001 685276492 /nfs/dbraw/zinc/27/64/92/685276492.db2.gz IXZJXJIZROVLGE-CRAIPNDOSA-N 1 0 305.466 2.250 20 10 DECDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000389778583 685435161 /nfs/dbraw/zinc/43/51/61/685435161.db2.gz FUCREQHMBOPNBN-HNAYVOBHSA-N 1 0 323.440 2.448 20 10 DECDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092938530 684047492 /nfs/dbraw/zinc/04/74/92/684047492.db2.gz JLKNYNDSDWEZTE-INIZCTEOSA-N 1 0 321.440 2.188 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000093278713 684048840 /nfs/dbraw/zinc/04/88/40/684048840.db2.gz MGHKDXIGFBEMET-OAHLLOKOSA-N 1 0 318.417 2.378 20 10 DECDRO CC[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+](C)C ZINC000126444316 684154392 /nfs/dbraw/zinc/15/43/92/684154392.db2.gz YACUHVRGCJCWOQ-INIZCTEOSA-N 1 0 321.490 2.196 20 10 DECDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000136847894 684242142 /nfs/dbraw/zinc/24/21/42/684242142.db2.gz AESAMEAUJKFHQT-RDJZCZTQSA-N 1 0 304.434 2.116 20 10 DECDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000159868995 684322819 /nfs/dbraw/zinc/32/28/19/684322819.db2.gz PUJMKWIDKUXLLD-UHFFFAOYSA-N 1 0 318.465 2.298 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000192690285 684455587 /nfs/dbraw/zinc/45/55/87/684455587.db2.gz PMKAWWYVIVUAMU-LLVKDONJSA-N 1 0 310.394 2.404 20 10 DECDRO COc1cccc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000192688341 684455781 /nfs/dbraw/zinc/45/57/81/684455781.db2.gz NHRKIIUMLKLEQN-LLVKDONJSA-N 1 0 310.394 2.404 20 10 DECDRO CON1CC[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000929184443 693911931 /nfs/dbraw/zinc/91/19/31/693911931.db2.gz LLABQNZUQFHSOU-KRWDZBQOSA-N 1 0 317.433 2.271 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000859779109 685821711 /nfs/dbraw/zinc/82/17/11/685821711.db2.gz WJWOXSUDQCRNNS-UHFFFAOYSA-N 1 0 317.477 2.439 20 10 DECDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861620815 686160277 /nfs/dbraw/zinc/16/02/77/686160277.db2.gz NRKJBDCUSUBZAZ-YOEHRIQHSA-N 1 0 318.465 2.453 20 10 DECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000862467263 686306434 /nfs/dbraw/zinc/30/64/34/686306434.db2.gz UNDAQQWAHBIQTR-LBPRGKRZSA-N 1 0 311.765 2.406 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@@H](O)CO2 ZINC000863294552 686470036 /nfs/dbraw/zinc/47/00/36/686470036.db2.gz HYCGGJOJFWKMEK-XUJVJEKNSA-N 1 0 307.415 2.288 20 10 DECDRO COc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863645704 686539521 /nfs/dbraw/zinc/53/95/21/686539521.db2.gz KVFNSTWJULFRKW-WCQYABFASA-N 1 0 318.339 2.360 20 10 DECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N[C@H]3C[C@@H]3C)C2)cc1 ZINC000864469101 686730944 /nfs/dbraw/zinc/73/09/44/686730944.db2.gz MFWHFQCSOSJTMB-ZENOOKHLSA-N 1 0 302.422 2.044 20 10 DECDRO COC(=O)/C=C(/C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929971235 694061292 /nfs/dbraw/zinc/06/12/92/694061292.db2.gz NXAQZRDITBNDIJ-DNXIFWLFSA-N 1 0 319.401 2.493 20 10 DECDRO O=c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c[nH]1 ZINC000865419265 687204743 /nfs/dbraw/zinc/20/47/43/687204743.db2.gz UZMPPALMBZGBEJ-UHFFFAOYSA-N 1 0 317.364 2.053 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000865747108 687321299 /nfs/dbraw/zinc/32/12/99/687321299.db2.gz OJGRSTGSYJIUSG-ARJAWSKDSA-N 1 0 309.417 2.034 20 10 DECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)OCO2 ZINC000865784772 687333711 /nfs/dbraw/zinc/33/37/11/687333711.db2.gz IRNPHLVVVVJKCE-JSGCOSHPSA-N 1 0 305.374 2.273 20 10 DECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865873293 687363166 /nfs/dbraw/zinc/36/31/66/687363166.db2.gz VZRKOFXWQAVDRN-HIFRSBDPSA-N 1 0 310.413 2.301 20 10 DECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CCC2(O)CCC2)c1 ZINC000930217559 694114108 /nfs/dbraw/zinc/11/41/08/694114108.db2.gz XJCYQBWZDUACBQ-QWHCGFSZSA-N 1 0 309.406 2.108 20 10 DECDRO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016369092 687603405 /nfs/dbraw/zinc/60/34/05/687603405.db2.gz RGHQQGDFNQIELA-AWEZNQCLSA-N 1 0 317.393 2.309 20 10 DECDRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1O ZINC000868677289 688101383 /nfs/dbraw/zinc/10/13/83/688101383.db2.gz JDUHWAVAWHBSIA-FUDCBSFHSA-N 1 0 303.406 2.378 20 10 DECDRO COc1cc(O)c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000872737389 689079831 /nfs/dbraw/zinc/07/98/31/689079831.db2.gz MMTKIBPLSDKUJM-CQSZACIVSA-N 1 0 308.422 2.181 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1Cn1cccn1 ZINC000873050400 689148554 /nfs/dbraw/zinc/14/85/54/689148554.db2.gz VTZRWRYUTOAVIG-SJORKVTESA-N 1 0 315.417 2.333 20 10 DECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1Cn1cccn1 ZINC000873050398 689148742 /nfs/dbraw/zinc/14/87/42/689148742.db2.gz VTZRWRYUTOAVIG-IAGOWNOFSA-N 1 0 315.417 2.333 20 10 DECDRO COc1ccc(C[NH2+]C2(CO)CCCC2)cc1Cn1cccn1 ZINC000873072816 689153940 /nfs/dbraw/zinc/15/39/40/689153940.db2.gz BCTBSZIXYOXPJD-UHFFFAOYSA-N 1 0 315.417 2.335 20 10 DECDRO COCC1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873080220 689155937 /nfs/dbraw/zinc/15/59/37/689155937.db2.gz LXTNIUUYVCIJIR-UHFFFAOYSA-N 1 0 301.390 2.209 20 10 DECDRO CCCOc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1C ZINC000873098051 689158642 /nfs/dbraw/zinc/15/86/42/689158642.db2.gz IXRGEVRBDXITFB-MRXNPFEDSA-N 1 0 303.406 2.341 20 10 DECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1Cn1cccn1 ZINC000873113378 689160454 /nfs/dbraw/zinc/16/04/54/689160454.db2.gz ZRPZHUVGTXFJIP-UONOGXRCSA-N 1 0 303.406 2.453 20 10 DECDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000874300417 689385548 /nfs/dbraw/zinc/38/55/48/689385548.db2.gz QNTQIAFUDNEQGJ-CQSZACIVSA-N 1 0 315.377 2.159 20 10 DECDRO C[NH+](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874447043 689416245 /nfs/dbraw/zinc/41/62/45/689416245.db2.gz FMFDRWCHXQWCAI-UHFFFAOYSA-N 1 0 303.366 2.015 20 10 DECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cc(C)ccc1O ZINC000875372381 689615238 /nfs/dbraw/zinc/61/52/38/689615238.db2.gz MKIHPCNBRPBAEN-OAHLLOKOSA-N 1 0 305.422 2.374 20 10 DECDRO CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034288691 689796620 /nfs/dbraw/zinc/79/66/20/689796620.db2.gz MWIFABDSMMWCLO-AWEZNQCLSA-N 1 0 321.421 2.093 20 10 DECDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506206 689841867 /nfs/dbraw/zinc/84/18/67/689841867.db2.gz HDQSJQXLIMTYMV-SJTFNBSGSA-N 1 0 301.434 2.161 20 10 DECDRO COc1ccc(N2CCC[N@H+](C[C@]3(OC)CCOC3)CC2)cc1 ZINC000876631505 689882140 /nfs/dbraw/zinc/88/21/40/689882140.db2.gz SVPPCCUZOOCWKV-GOSISDBHSA-N 1 0 320.433 2.013 20 10 DECDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000876766793 689931122 /nfs/dbraw/zinc/93/11/22/689931122.db2.gz SGLQDIZQSQUVGH-GOEBONIOSA-N 1 0 311.447 2.488 20 10 DECDRO Cc1nsc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)n1 ZINC000876768452 689931916 /nfs/dbraw/zinc/93/19/16/689931916.db2.gz VSEGMTHFLGPRBG-UHFFFAOYSA-N 1 0 304.419 2.183 20 10 DECDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)ccc1OCCO ZINC000876955260 689982467 /nfs/dbraw/zinc/98/24/67/689982467.db2.gz UTCCHCKKJIBXJC-UHFFFAOYSA-N 1 0 317.385 2.370 20 10 DECDRO OC1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2F)CC1 ZINC000876965185 689984674 /nfs/dbraw/zinc/98/46/74/689984674.db2.gz DMFCCFSJNBQLQJ-MRXNPFEDSA-N 1 0 322.424 2.446 20 10 DECDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc(F)c2)c(O)c1 ZINC000876966135 689984856 /nfs/dbraw/zinc/98/48/56/689984856.db2.gz NTTNNQMCWIPZKV-OAHLLOKOSA-N 1 0 305.349 2.369 20 10 DECDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877058143 690009647 /nfs/dbraw/zinc/00/96/47/690009647.db2.gz DLFQSIZTSXNJOE-GJZGRUSLSA-N 1 0 306.450 2.144 20 10 DECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877307515 690072098 /nfs/dbraw/zinc/07/20/98/690072098.db2.gz IDERMUVKGJDCKP-KBXCAEBGSA-N 1 0 304.434 2.305 20 10 DECDRO C[C@H]1[C@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1C ZINC000877408171 690104664 /nfs/dbraw/zinc/10/46/64/690104664.db2.gz CQDZITUJDCYJJN-HOTGVXAUSA-N 1 0 317.477 2.172 20 10 DECDRO Cc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000877519515 690139244 /nfs/dbraw/zinc/13/92/44/690139244.db2.gz KPDKNFOOPYYBDT-UHFFFAOYSA-N 1 0 324.380 2.477 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)[C@H]1n1cccn1 ZINC000877555393 690150911 /nfs/dbraw/zinc/15/09/11/690150911.db2.gz WUQMAUCCLAADLJ-DJIMGWMZSA-N 1 0 301.390 2.405 20 10 DECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000877557968 690151465 /nfs/dbraw/zinc/15/14/65/690151465.db2.gz ZINRYFANXXWBNX-CYBMUJFWSA-N 1 0 317.410 2.361 20 10 DECDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000877632374 690173543 /nfs/dbraw/zinc/17/35/43/690173543.db2.gz XGPGQVFLFGLSDF-KRWDZBQOSA-N 1 0 318.461 2.146 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1CO ZINC000877646633 690178491 /nfs/dbraw/zinc/17/84/91/690178491.db2.gz JZTGHUDBSKHFKI-WBVHZDCISA-N 1 0 318.461 2.098 20 10 DECDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000877665630 690183409 /nfs/dbraw/zinc/18/34/09/690183409.db2.gz ZLEYVUQAQRACRI-INIZCTEOSA-N 1 0 314.429 2.480 20 10 DECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 ZINC000877784071 690228028 /nfs/dbraw/zinc/22/80/28/690228028.db2.gz AEMBUZLERHDVEG-HOTGVXAUSA-N 1 0 307.390 2.053 20 10 DECDRO Oc1ccccc1C[N@H+](CCc1cnccn1)C[C@@H]1CCCO1 ZINC000878240428 690355746 /nfs/dbraw/zinc/35/57/46/690355746.db2.gz HKZHAESSKVGKKU-KRWDZBQOSA-N 1 0 313.401 2.406 20 10 DECDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000879335067 690621956 /nfs/dbraw/zinc/62/19/56/690621956.db2.gz PRPLEVMLSBVLMZ-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879649701 690699349 /nfs/dbraw/zinc/69/93/49/690699349.db2.gz CKNLTUQIWWJAGB-JTQLQIEISA-N 1 0 304.312 2.454 20 10 DECDRO CCN(C)c1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000881314025 691070731 /nfs/dbraw/zinc/07/07/31/691070731.db2.gz YIENIKXQJKTCPI-INIZCTEOSA-N 1 0 313.449 2.325 20 10 DECDRO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCN1c1cc[nH+]cc1 ZINC000881634718 691136273 /nfs/dbraw/zinc/13/62/73/691136273.db2.gz HTQWQQBPOQJSTQ-NSHDSACASA-N 1 0 303.387 2.200 20 10 DECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883130115 691436132 /nfs/dbraw/zinc/43/61/32/691436132.db2.gz RGTITHIFOYXLII-JTQLQIEISA-N 1 0 300.349 2.312 20 10 DECDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2[O-])c[nH]1 ZINC000883189348 691453156 /nfs/dbraw/zinc/45/31/56/691453156.db2.gz FJUYETCOOHAZQP-CJNGLKHVSA-N 1 0 322.311 2.391 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883402832 691498757 /nfs/dbraw/zinc/49/87/57/691498757.db2.gz BPNPQYVDPQNCDX-CWIOURORSA-N 1 0 313.445 2.366 20 10 DECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1F ZINC000886231399 692031447 /nfs/dbraw/zinc/03/14/47/692031447.db2.gz CXQLTQAIMZCXOJ-MRXNPFEDSA-N 1 0 301.361 2.454 20 10 DECDRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886522319 692100653 /nfs/dbraw/zinc/10/06/53/692100653.db2.gz HDTQEMWXQQMCDQ-GJZGRUSLSA-N 1 0 323.456 2.456 20 10 DECDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCCOC1 ZINC000886788868 692191106 /nfs/dbraw/zinc/19/11/06/692191106.db2.gz KCNQWYSZAWBWJJ-ZENOOKHLSA-N 1 0 309.406 2.493 20 10 DECDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000924710263 693175630 /nfs/dbraw/zinc/17/56/30/693175630.db2.gz JNPNKWVJNFOLJU-DVOMOZLQSA-N 1 0 308.397 2.175 20 10 DECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924758794 693181878 /nfs/dbraw/zinc/18/18/78/693181878.db2.gz BABUCLGTIDCOGM-MJGOQNOKSA-N 1 0 318.461 2.410 20 10 DECDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000927132912 693559038 /nfs/dbraw/zinc/55/90/38/693559038.db2.gz OPXCQGCSCTYWDC-NVXWUHKLSA-N 1 0 302.422 2.260 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccccc2)c(O)c1OC ZINC001333694367 1150080597 /nfs/dbraw/zinc/08/05/97/1150080597.db2.gz YETXYJDUUWGTRD-HNNXBMFYSA-N 1 0 317.385 2.275 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c(O)c1OC ZINC001334288077 1150259008 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CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1c(O)ccc2ccncc21 ZINC001349961711 1151312696 /nfs/dbraw/zinc/31/26/96/1151312696.db2.gz WMGIPCCWRJIDLG-KGLIPLIRSA-N 1 0 311.385 2.136 20 10 DECDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001352041372 1151665177 /nfs/dbraw/zinc/66/51/77/1151665177.db2.gz JQYYFUNIUIQWBC-LPHOPBHVSA-N 1 0 313.445 2.374 20 10 DECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001353540414 1151837171 /nfs/dbraw/zinc/83/71/71/1151837171.db2.gz ULQRBIKAUQRODE-CJNGLKHVSA-N 1 0 302.422 2.037 20 10 DECDRO CC(C)([NH3+])CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001332510269 1149865635 /nfs/dbraw/zinc/86/56/35/1149865635.db2.gz HMYBMDLKKHBMPK-UHFFFAOYSA-N 1 0 304.438 2.213 20 10 DECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1O ZINC001332986213 1149946089 /nfs/dbraw/zinc/94/60/89/1149946089.db2.gz UFKVJTSBYATBQZ-OAHLLOKOSA-N 1 0 302.418 2.445 20 10 DECDRO OC1CCN(c2ccc(C[NH+]3CC4(CSC4)C3)cc2)CC1 ZINC001140287552 777016198 /nfs/dbraw/zinc/01/61/98/777016198.db2.gz 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ZINC001170840824 789444181 /nfs/dbraw/zinc/44/41/81/789444181.db2.gz PNGHWNYLSIAZAI-HNNXBMFYSA-N 1 0 320.433 2.395 20 10 DECDRO CC[N@@H+]1CC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001136181020 789658601 /nfs/dbraw/zinc/65/86/01/789658601.db2.gz YIQZEXMOGHAKJT-KRWDZBQOSA-N 1 0 301.434 2.338 20 10 DECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718544 793182924 /nfs/dbraw/zinc/18/29/24/793182924.db2.gz WIXXHUPTCXXOAO-CYBMUJFWSA-N 1 0 320.389 2.360 20 10 DECDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001172769595 793496930 /nfs/dbraw/zinc/49/69/30/793496930.db2.gz BINKXEKFIAUKOB-KGLIPLIRSA-N 1 0 307.390 2.352 20 10 DECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691439482 794451706 /nfs/dbraw/zinc/45/17/06/794451706.db2.gz GAOYBUPYTGZENC-XLFHBGCDSA-N 1 0 320.252 2.401 20 10 DECDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCCO3)cc2F)CC1 ZINC001177570103 794701246 /nfs/dbraw/zinc/70/12/46/794701246.db2.gz ANPZNRTYTHFDMT-MRXNPFEDSA-N 1 0 321.440 2.236 20 10 DECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001116166899 794942103 /nfs/dbraw/zinc/94/21/03/794942103.db2.gz ZXAUUYWNCPPZTO-SFHVURJKSA-N 1 0 323.456 2.338 20 10 DECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689630 795154153 /nfs/dbraw/zinc/15/41/53/795154153.db2.gz UYEUMLICXFJWNI-RCQQVGEISA-N 1 0 318.417 2.492 20 10 DECDRO [NH3+]CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001179691539 795154292 /nfs/dbraw/zinc/15/42/92/795154292.db2.gz UAHBHSWWKRFEJS-KRXBUXKQSA-N 1 0 316.332 2.242 20 10 DECDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC001118338831 795178587 /nfs/dbraw/zinc/17/85/87/795178587.db2.gz XTCBHDXHMFKJJS-QGZVFWFLSA-N 1 0 319.449 2.122 20 10 DECDRO COCC[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])C(C)(C)C1 ZINC001119511887 795315364 /nfs/dbraw/zinc/31/53/64/795315364.db2.gz IYKQUHSCYILAHJ-UHFFFAOYSA-N 1 0 314.376 2.213 20 10 DECDRO COCn1ncc(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001119929919 795374344 /nfs/dbraw/zinc/37/43/44/795374344.db2.gz WCDMSZPXKOBAMQ-UHFFFAOYSA-N 1 0 306.385 2.290 20 10 DECDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001206445083 795438206 /nfs/dbraw/zinc/43/82/06/795438206.db2.gz MYOBMLFTAAHGKF-ZJUUUORDSA-N 1 0 321.165 2.165 20 10 DECDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001206445081 795438499 /nfs/dbraw/zinc/43/84/99/795438499.db2.gz MYOBMLFTAAHGKF-UWVGGRQHSA-N 1 0 321.165 2.165 20 10 DECDRO C[N@H+](C1CN(Cc2ccc(N3CCCC3)cc2)C1)[C@@H]1CCOC1 ZINC001204320826 795605151 /nfs/dbraw/zinc/60/51/51/795605151.db2.gz BEHWUMWNOKFQJS-GOSISDBHSA-N 1 0 315.461 2.192 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H](CC[NH3+])C2)c(C)n1-c1ccccn1 ZINC001122212471 795736437 /nfs/dbraw/zinc/73/64/37/795736437.db2.gz RHYFUYGXAMZEDL-OAHLLOKOSA-N 1 0 312.417 2.300 20 10 DECDRO COc1c([O-])c(C[NH2+]Cc2cc(C)c[nH]c2=O)ccc1[N+](=O)[O-] ZINC001184153028 795997692 /nfs/dbraw/zinc/99/76/92/795997692.db2.gz CFTIONVWJVYWKR-UHFFFAOYSA-N 1 0 319.317 2.008 20 10 DECDRO c1cc(N2CCCCC2)ccc1CN1CC(N2CCOCC2)C1 ZINC001138219462 796185004 /nfs/dbraw/zinc/18/50/04/796185004.db2.gz BHOHFWOQBWLFLM-UHFFFAOYSA-N 1 0 315.461 2.193 20 10 DECDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1(C)COC1 ZINC001138339951 796200308 /nfs/dbraw/zinc/20/03/08/796200308.db2.gz OCKSCRVIGFYPAM-UHFFFAOYSA-N 1 0 302.418 2.312 20 10 DECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339412 796200594 /nfs/dbraw/zinc/20/05/94/796200594.db2.gz DNTUQDYQXNXGQL-CJNGLKHVSA-N 1 0 316.445 2.436 20 10 DECDRO Oc1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339643 796200734 /nfs/dbraw/zinc/20/07/34/796200734.db2.gz HPNMHDPXAVRCBR-IYBDPMFKSA-N 1 0 314.429 2.169 20 10 DECDRO CCC1(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)COC1 ZINC001202957925 796408350 /nfs/dbraw/zinc/40/83/50/796408350.db2.gz HSFSJXHTWWSANA-UHFFFAOYSA-N 1 0 304.434 2.382 20 10 DECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(O)cccc1Br ZINC001140098561 796477040 /nfs/dbraw/zinc/47/70/40/796477040.db2.gz FFYJJJPZKKQTNR-UWVGGRQHSA-N 1 0 300.196 2.500 20 10 DECDRO CC1=NC2(CC[NH+](Cc3c(C)ccc(C)c3O)CC2)C(=O)N1C ZINC001140185179 796488393 /nfs/dbraw/zinc/48/83/93/796488393.db2.gz RDFHRXQXTPIYTN-UHFFFAOYSA-N 1 0 315.417 2.234 20 10 DECDRO CC(C)(O)CC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140342727 796510646 /nfs/dbraw/zinc/51/06/46/796510646.db2.gz VTKQSFUCBPEAKS-UHFFFAOYSA-N 1 0 312.841 2.324 20 10 DECDRO O=C1CCCN1C1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584138 796541876 /nfs/dbraw/zinc/54/18/76/796541876.db2.gz FTSLPLPWZWVNHY-UHFFFAOYSA-N 1 0 310.344 2.257 20 10 DECDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140624436 796546849 /nfs/dbraw/zinc/54/68/49/796546849.db2.gz WKACXGFJFAHOAT-MRXNPFEDSA-N 1 0 320.433 2.160 20 10 DECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660213 796552549 /nfs/dbraw/zinc/55/25/49/796552549.db2.gz JOGRVFNTHVFADQ-RDTXWAMCSA-N 1 0 322.424 2.255 20 10 DECDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c(O)c1 ZINC001140953602 796606223 /nfs/dbraw/zinc/60/62/23/796606223.db2.gz 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CCN(C)c1ccc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 ZINC001619792067 1078161054 /nfs/dbraw/zinc/16/10/54/1078161054.db2.gz QKXPRFWTXXYKPN-GOEBONIOSA-N 1 0 303.406 2.073 20 10 DECDRO C[NH2+]C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC001578592829 1067137125 /nfs/dbraw/zinc/13/71/25/1067137125.db2.gz BBOSNIMTQALFCM-UHFFFAOYSA-N 1 0 301.434 2.435 20 10 DECDRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1cc(Cl)ccc1O ZINC001580248205 1067537983 /nfs/dbraw/zinc/53/79/83/1067537983.db2.gz RSHFTAWCFPAKIO-UHFFFAOYSA-N 1 0 309.797 2.211 20 10 DECDRO Nc1ccc(CNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC001515333012 1068863335 /nfs/dbraw/zinc/86/33/35/1068863335.db2.gz LXIQFCPCTXPDQO-MRXNPFEDSA-N 1 0 301.434 2.445 20 10 DECDRO COc1nc(Cl)c(C[NH2+]Cc2cccc(OC)c2O)n1C ZINC001327385003 1148543417 /nfs/dbraw/zinc/54/34/17/1148543417.db2.gz POYVSVUXNQTXSN-UHFFFAOYSA-N 1 0 311.769 2.086 20 10 DECDRO CC(C)(O)[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001559634883 1075126756 /nfs/dbraw/zinc/12/67/56/1075126756.db2.gz 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C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(C(=O)[O-])ccc1O ZINC001609778528 1077921830 /nfs/dbraw/zinc/92/18/30/1077921830.db2.gz NQHXZJORYMRQLV-SCUASFONSA-N 1 0 304.390 2.129 20 10 DECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC001652321177 1079867862 /nfs/dbraw/zinc/86/78/62/1079867862.db2.gz KZOSQNUFMOBVFC-KOLCDFICSA-N 1 0 300.196 2.357 20 10 DECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(O)c1 ZINC001658228240 1080202089 /nfs/dbraw/zinc/20/20/89/1080202089.db2.gz YTBODBWANRWLEJ-ZDUSSCGKSA-N 1 0 307.390 2.294 20 10 DECDRO O=C(c1cccc(O)c1O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001269607739 1081306433 /nfs/dbraw/zinc/30/64/33/1081306433.db2.gz IIHBJWARJHNIGO-SWLSCSKDSA-N 1 0 316.401 2.187 20 10 DECDRO O=C(c1ccc(O)c(O)c1)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001270038465 1081434885 /nfs/dbraw/zinc/43/48/85/1081434885.db2.gz XBQPUEHTMYBWHO-DZGCQCFKSA-N 1 0 316.401 2.187 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccoc2)cc1C ZINC001669275909 1081442745 /nfs/dbraw/zinc/44/27/45/1081442745.db2.gz HRSJMGSTLMICAT-CQSZACIVSA-N 1 0 316.401 2.434 20 10 DECDRO CC[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266705627 1082295394 /nfs/dbraw/zinc/29/53/94/1082295394.db2.gz OAIMIZYKIGCLJI-QLFBSQMISA-N 1 0 308.397 2.489 20 10 DECDRO CCN(CC)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(OC)c1 ZINC001235076790 1084300053 /nfs/dbraw/zinc/30/00/53/1084300053.db2.gz HTYAKAAGHCHHAX-IAGOWNOFSA-N 1 0 303.450 2.478 20 10 DECDRO CCN(CC)c1ccc(CN2CCC[C@H]3[NH2+]C[C@H]32)c(OC)c1 ZINC001235295256 1084377453 /nfs/dbraw/zinc/37/74/53/1084377453.db2.gz JEYSOGXUAIUVSK-IAGOWNOFSA-N 1 0 303.450 2.478 20 10 DECDRO CCN(CC)c1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(OC)c1 ZINC001235978441 1084579159 /nfs/dbraw/zinc/57/91/59/1084579159.db2.gz JGKVUYIHRJKWIW-CRAIPNDOSA-N 1 0 303.450 2.465 20 10 DECDRO C[NH+]1CCN(c2ccc(-c3ccn(CC4CC4)c(=O)c3)cn2)CC1 ZINC001235977971 1084580184 /nfs/dbraw/zinc/58/01/84/1084580184.db2.gz CZOONWAZWVUOPA-UHFFFAOYSA-N 1 0 324.428 2.072 20 10 DECDRO CCCC[C@H]1CN(Cc2c(O)cc(OC)cc2OC)CC[NH2+]1 ZINC001236138761 1084619702 /nfs/dbraw/zinc/61/97/02/1084619702.db2.gz SKZGKSWQPODMQO-ZDUSSCGKSA-N 1 0 308.422 2.373 20 10 DECDRO CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000960228755 1085152196 /nfs/dbraw/zinc/15/21/96/1085152196.db2.gz SXGAMRXVKNPZBE-AWEZNQCLSA-N 1 0 317.393 2.453 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000701058572 1086350142 /nfs/dbraw/zinc/35/01/42/1086350142.db2.gz OVOJNJVUSINJNV-SECBINFHSA-N 1 0 314.101 2.168 20 10 DECDRO COC[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490877484 1088085247 /nfs/dbraw/zinc/08/52/47/1088085247.db2.gz SHSURIFDDZGCJD-BPUTZDHNSA-N 1 0 320.433 2.023 20 10 DECDRO Cn1nccc1CC[NH2+]Cc1c(O)cccc1Br ZINC000706809941 1091392908 /nfs/dbraw/zinc/39/29/08/1091392908.db2.gz SSANCWNNJSPFKM-UHFFFAOYSA-N 1 0 310.195 2.221 20 10 DECDRO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C(=O)[O-])ccc3O)(C1)CCC2 ZINC001276055652 1091496611 /nfs/dbraw/zinc/49/66/11/1091496611.db2.gz MQAFKFSLPFXHJB-DLBZAZTESA-N 1 0 304.390 2.245 20 10 DECDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c1O ZINC001276081010 1091516276 /nfs/dbraw/zinc/51/62/76/1091516276.db2.gz ZORMRVCGUILLJR-CALCHBBNSA-N 1 0 312.417 2.273 20 10 DECDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cccc(C(C)(C)C)c1O ZINC001275800095 1092151779 /nfs/dbraw/zinc/15/17/79/1092151779.db2.gz VPUDKDWSJLVYGJ-GASCZTMLSA-N 1 0 304.434 2.205 20 10 DECDRO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001275913207 1092298966 /nfs/dbraw/zinc/29/89/66/1092298966.db2.gz KTERQPBQQKXOLZ-SWLSCSKDSA-N 1 0 321.396 2.155 20 10 DECDRO CCOc1cccc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)c1O ZINC000886360467 1093744912 /nfs/dbraw/zinc/74/49/12/1093744912.db2.gz WPIXKEJLWMNUGH-HUUCEWRRSA-N 1 0 309.406 2.322 20 10 DECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001274214550 1093853738 /nfs/dbraw/zinc/85/37/38/1093853738.db2.gz YKINFUFQDQSADP-HNNXBMFYSA-N 1 0 302.418 2.357 20 10 DECDRO C[C@@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H](C)[NH2+]1 ZINC001236576151 1138377266 /nfs/dbraw/zinc/37/72/66/1138377266.db2.gz ISQGCVCZRMMIEQ-ZIAGYGMSSA-N 1 0 315.461 2.273 20 10 DECDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001236919549 1138456804 /nfs/dbraw/zinc/45/68/04/1138456804.db2.gz NKJDSPMCKJVWSN-WMLDXEAASA-N 1 0 322.836 2.397 20 10 DECDRO C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CCOCC1 ZINC001236932093 1138460097 /nfs/dbraw/zinc/46/00/97/1138460097.db2.gz NMRICKVTILNSRL-UHFFFAOYSA-N 1 0 321.440 2.188 20 10 DECDRO COC[C@H]1C[N@H+](Cc2c(C)cccc2O)Cc2cn(C)nc21 ZINC001237484849 1138651824 /nfs/dbraw/zinc/65/18/24/1138651824.db2.gz BIQXYZIWALSIET-CQSZACIVSA-N 1 0 301.390 2.180 20 10 DECDRO COc1cc(C[N@@H+]2CCC[C@](F)(CO)CC2)c(O)c(OC)c1 ZINC001237670323 1138746067 /nfs/dbraw/zinc/74/60/67/1138746067.db2.gz SQXTWLHOAPUTJW-MRXNPFEDSA-N 1 0 313.369 2.096 20 10 DECDRO COc1cc(C[NH+]2CCC3(CCOC3)CC2)c(O)c(OC)c1 ZINC001237671522 1138746351 /nfs/dbraw/zinc/74/63/51/1138746351.db2.gz CHEIOMKSLZDBEJ-UHFFFAOYSA-N 1 0 307.390 2.412 20 10 DECDRO COc1cc(C[N@H+](C)CCc2cccnc2)c(O)c(OC)c1 ZINC001237672915 1138750805 /nfs/dbraw/zinc/75/08/05/1138750805.db2.gz BGZSKSDUTNSLAU-UHFFFAOYSA-N 1 0 302.374 2.479 20 10 DECDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3)CC2)c1O ZINC001237688410 1138758904 /nfs/dbraw/zinc/75/89/04/1138758904.db2.gz IXXCLBZXSGHACF-UHFFFAOYSA-N 1 0 309.797 2.001 20 10 DECDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c(C)c1 ZINC001246933901 1141138658 /nfs/dbraw/zinc/13/86/58/1141138658.db2.gz LABLABAFXZZCOC-JKSUJKDBSA-N 1 0 303.450 2.266 20 10 DECDRO COC(=O)Cc1ccc(CN(C)Cc2nccs2)c(O)c1 ZINC001249207859 1141859979 /nfs/dbraw/zinc/85/99/79/1141859979.db2.gz KINSGVLTVZGYRN-UHFFFAOYSA-N 1 0 306.387 2.196 20 10 DECDRO CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@@H](F)C[C@H]3CO)ccc2O1 ZINC001249223242 1141862604 /nfs/dbraw/zinc/86/26/04/1141862604.db2.gz CFXIPWDVIZBNNH-STQMWFEESA-N 1 0 307.365 2.481 20 10 DECDRO Oc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c(O)c1 ZINC001250686177 1142266617 /nfs/dbraw/zinc/26/66/17/1142266617.db2.gz OVXRNSSPUAJBGS-AWEZNQCLSA-N 1 0 323.776 2.281 20 10 DECDRO COc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c(O)c1OC ZINC001336797581 1142575200 /nfs/dbraw/zinc/57/52/00/1142575200.db2.gz NDEQLPAHJUWDCP-AWEZNQCLSA-N 1 0 321.348 2.372 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1F ZINC001338731063 1142874495 /nfs/dbraw/zinc/87/44/95/1142874495.db2.gz DZIVCMBLKDWKIR-HDJSIYSDSA-N 1 0 322.428 2.208 20 10 DECDRO CN(C)c1ccc(CNC(=O)C2(C3CC[NH2+]CC3)CC2)cc1F ZINC001340191838 1143295511 /nfs/dbraw/zinc/29/55/11/1143295511.db2.gz VSQWSQASKHVTFF-UHFFFAOYSA-N 1 0 319.424 2.288 20 10 DECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC001254729004 1143316631 /nfs/dbraw/zinc/31/66/31/1143316631.db2.gz BQKQAGFWFTUVDV-VHSXEESVSA-N 1 0 304.312 2.418 20 10 DECDRO CN1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001255486492 1143684833 /nfs/dbraw/zinc/68/48/33/1143684833.db2.gz MBDPWCBXYYNSAZ-SFHVURJKSA-N 1 0 303.450 2.049 20 10 DECDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001255829061 1143809497 /nfs/dbraw/zinc/80/94/97/1143809497.db2.gz DXLXHMRDXVQSFH-DIFFPNOSSA-N 1 0 305.349 2.491 20 10 DECDRO Cc1cccc(C[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)c1O ZINC001255976583 1143818839 /nfs/dbraw/zinc/81/88/39/1143818839.db2.gz CFSXWDPGJTTZOV-UHFFFAOYSA-N 1 0 316.323 2.344 20 10 DECDRO OC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC001256382621 1143845730 /nfs/dbraw/zinc/84/57/30/1143845730.db2.gz WFUAVWSNXOZVAP-SFHVURJKSA-N 1 0 304.434 2.164 20 10 DECDRO CN(C)c1ccc(C[NH2+]CCOCCCO)c(C(F)(F)F)c1 ZINC001261176815 1144224875 /nfs/dbraw/zinc/22/48/75/1144224875.db2.gz DSZHWFPRBCUGCN-UHFFFAOYSA-N 1 0 320.355 2.260 20 10 DECDRO COC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCO1 ZINC001261788792 1144276726 /nfs/dbraw/zinc/27/67/26/1144276726.db2.gz JDEAFZBKCDBWDY-GOEBONIOSA-N 1 0 314.376 2.314 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC001262563532 1144319152 /nfs/dbraw/zinc/31/91/52/1144319152.db2.gz HUBZGCNNAYVMAG-INIZCTEOSA-N 1 0 318.465 2.413 20 10 DECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC001308319468 1147465563 /nfs/dbraw/zinc/46/55/63/1147465563.db2.gz WEMKMALZMYCCQY-QAPCUYQASA-N 1 0 303.450 2.096 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)CC2CCOCC2)cc1F ZINC001324759090 1147840892 /nfs/dbraw/zinc/84/08/92/1147840892.db2.gz CLKYDXYXSQROGH-MRXNPFEDSA-N 1 0 324.440 2.407 20 10 DECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325516179 1147932776 /nfs/dbraw/zinc/93/27/76/1147932776.db2.gz WLCCXSZITNSUBU-AEFFLSMTSA-N 1 0 321.440 2.235 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)n[nH]3)C2)cc1 ZINC001325736516 1147992495 /nfs/dbraw/zinc/99/24/95/1147992495.db2.gz JTRROWUMFFRKNX-AWEZNQCLSA-N 1 0 300.406 2.343 20 10 DECDRO CC1CC[NH+](CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000048141103 354343566 /nfs/dbraw/zinc/34/35/66/354343566.db2.gz CHOQRAIJMNCBHW-UHFFFAOYSA-N 1 0 318.465 2.284 20 10 DECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000073906517 354991402 /nfs/dbraw/zinc/99/14/02/354991402.db2.gz QVDPDOVLAMGYHU-ZDUSSCGKSA-N 1 0 319.449 2.410 20 10 DECDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000090849012 355568182 /nfs/dbraw/zinc/56/81/82/355568182.db2.gz SSLYTDYUIZDPAV-YJBOKZPZSA-N 1 0 304.434 2.479 20 10 DECDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000091832993 193114612 /nfs/dbraw/zinc/11/46/12/193114612.db2.gz YQSOTNWRVXRKNQ-CYBMUJFWSA-N 1 0 303.362 2.472 20 10 DECDRO COc1cccc(C[NH+]2CCC(c3nc(C)no3)CC2)c1O ZINC000091836129 193115692 /nfs/dbraw/zinc/11/56/92/193115692.db2.gz BQXFPJZGUBKDSY-UHFFFAOYSA-N 1 0 303.362 2.472 20 10 DECDRO CCOc1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856650 193118942 /nfs/dbraw/zinc/11/89/42/193118942.db2.gz YFQUYWQZROOXJP-HOCLYGCPSA-N 1 0 309.431 2.497 20 10 DECDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c(C)n1-c1ccccn1 ZINC000834830621 649852652 /nfs/dbraw/zinc/85/26/52/649852652.db2.gz LOLRADQULVEBHP-ZDUSSCGKSA-N 1 0 322.359 2.201 20 10 DECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273167197 130094148 /nfs/dbraw/zinc/09/41/48/130094148.db2.gz LPFBFXRXKDKMSK-MRXNPFEDSA-N 1 0 301.386 2.484 20 10 DECDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000275815909 130390454 /nfs/dbraw/zinc/39/04/54/130390454.db2.gz FRCOUCDHJMXYAV-OAHLLOKOSA-N 1 0 312.417 2.472 20 10 DECDRO CCOc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289226379 131367090 /nfs/dbraw/zinc/36/70/90/131367090.db2.gz CSJPAKMEABKPIC-ZBFHGGJFSA-N 1 0 320.433 2.086 20 10 DECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000078400364 401849709 /nfs/dbraw/zinc/84/97/09/401849709.db2.gz VXTCAWCMPIEIQF-INIZCTEOSA-N 1 0 304.438 2.036 20 10 DECDRO OC[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCc2ccccc21 ZINC000135908955 401955376 /nfs/dbraw/zinc/95/53/76/401955376.db2.gz DHAIOVXPRGXDEU-GOSISDBHSA-N 1 0 313.353 2.045 20 10 DECDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000119854302 401968692 /nfs/dbraw/zinc/96/86/92/401968692.db2.gz MRSFDAGJGJQZAR-UKRRQHHQSA-N 1 0 316.449 2.177 20 10 DECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000151056949 402013599 /nfs/dbraw/zinc/01/35/99/402013599.db2.gz FNBDBCUSOPGXBR-GOSISDBHSA-N 1 0 314.433 2.498 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093668711 402018240 /nfs/dbraw/zinc/01/82/40/402018240.db2.gz SQIIHOAAILHNHY-UHFFFAOYSA-N 1 0 316.449 2.132 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)OCO2 ZINC000121272019 402024650 /nfs/dbraw/zinc/02/46/50/402024650.db2.gz VTWOZWUXWKDXKR-LLVKDONJSA-N 1 0 301.346 2.224 20 10 DECDRO CN(C)c1ccc(CNC(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000152828891 402111402 /nfs/dbraw/zinc/11/14/02/402111402.db2.gz JYCIWZCCJWBKTE-HZPDHXFCSA-N 1 0 301.434 2.101 20 10 DECDRO COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1O ZINC000176627123 402324629 /nfs/dbraw/zinc/32/46/29/402324629.db2.gz BTNWCZIKIICHSF-KGLIPLIRSA-N 1 0 321.421 2.073 20 10 DECDRO CO[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1OC ZINC000234857445 402361663 /nfs/dbraw/zinc/36/16/63/402361663.db2.gz WAXGVRUWOFLNET-BETUJISGSA-N 1 0 316.195 2.000 20 10 DECDRO Oc1ccccc1C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000179554527 402594722 /nfs/dbraw/zinc/59/47/22/402594722.db2.gz ISJIJYJGYKHKBB-UHFFFAOYSA-N 1 0 322.412 2.358 20 10 DECDRO CCOc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183274860 402751983 /nfs/dbraw/zinc/75/19/83/402751983.db2.gz HFJOFQVDSOWABB-UHFFFAOYSA-N 1 0 321.417 2.420 20 10 DECDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(C)n1-c1ccccn1 ZINC000193568618 402773362 /nfs/dbraw/zinc/77/33/62/402773362.db2.gz PKXFSOAWZLVAGL-CJNGLKHVSA-N 1 0 312.417 2.359 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1F ZINC000193684748 402775448 /nfs/dbraw/zinc/77/54/48/402775448.db2.gz LUBWEJHZBIBSCG-WBMJQRKESA-N 1 0 307.413 2.286 20 10 DECDRO COc1c([O-])c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278472491 402866550 /nfs/dbraw/zinc/86/65/50/402866550.db2.gz HOOOCSJVROVMDA-STQMWFEESA-N 1 0 323.393 2.271 20 10 DECDRO Cc1cccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278632719 402869069 /nfs/dbraw/zinc/86/90/69/402869069.db2.gz KUTQAJOCHKUQLU-HNNXBMFYSA-N 1 0 304.434 2.386 20 10 DECDRO COc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278836500 402876614 /nfs/dbraw/zinc/87/66/14/402876614.db2.gz ZFPAZJJAWKCOAE-AWEZNQCLSA-N 1 0 320.433 2.086 20 10 DECDRO Cc1cccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000271876986 402884707 /nfs/dbraw/zinc/88/47/07/402884707.db2.gz ZPFRIXAQBGRKCS-SJORKVTESA-N 1 0 301.386 2.275 20 10 DECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000279887057 402965000 /nfs/dbraw/zinc/96/50/00/402965000.db2.gz DBAVSSQYIXPRLP-MRXNPFEDSA-N 1 0 324.490 2.398 20 10 DECDRO COc1cccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280386768 402994665 /nfs/dbraw/zinc/99/46/65/402994665.db2.gz FWANBEYTOVIGPC-ZDUSSCGKSA-N 1 0 307.390 2.171 20 10 DECDRO CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(C)cc1O ZINC000280262033 402981163 /nfs/dbraw/zinc/98/11/63/402981163.db2.gz XGFZFGLSNHSGGW-JKSUJKDBSA-N 1 0 319.449 2.081 20 10 DECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000268786002 403113838 /nfs/dbraw/zinc/11/38/38/403113838.db2.gz ZSSQRIBRAPCTMQ-KBPBESRZSA-N 1 0 310.463 2.228 20 10 DECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268821745 403117327 /nfs/dbraw/zinc/11/73/27/403117327.db2.gz HQSDUUKEAXHZHY-CABCVRRESA-N 1 0 306.450 2.408 20 10 DECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000268941650 403121313 /nfs/dbraw/zinc/12/13/13/403121313.db2.gz VPBZGCUBNABLSQ-KGLIPLIRSA-N 1 0 309.429 2.263 20 10 DECDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000269307319 403129855 /nfs/dbraw/zinc/12/98/55/403129855.db2.gz ZFVIKRBSWRELHO-MLGOLLRUSA-N 1 0 312.417 2.298 20 10 DECDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000269307317 403129935 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CN(C)c1ccc(/C=C/C[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000835034526 649869367 /nfs/dbraw/zinc/86/93/67/649869367.db2.gz BTLXQBVNRSCMKV-ONEGZZNKSA-N 1 0 315.339 2.034 20 10 DECDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000188040679 519426724 /nfs/dbraw/zinc/42/67/24/519426724.db2.gz PGCJHKUFCYYLGY-KRWDZBQOSA-N 1 0 307.390 2.494 20 10 DECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180991949 519677637 /nfs/dbraw/zinc/67/76/37/519677637.db2.gz YCKXQWBGSFBOAF-PMGBHYCQSA-N 1 0 318.417 2.348 20 10 DECDRO CCCOc1ccc(C[N@@H+]2CCCN(CC)C(=O)C2)c(O)c1 ZINC000191540769 520349516 /nfs/dbraw/zinc/34/95/16/520349516.db2.gz OGFPVAOQSUAESR-UHFFFAOYSA-N 1 0 306.406 2.235 20 10 DECDRO CCCC[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180768063 520570100 /nfs/dbraw/zinc/57/01/00/520570100.db2.gz IMUINPPDYXUWEF-FNORWQNLSA-N 1 0 318.417 2.492 20 10 DECDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(O)c1O ZINC000182575592 521721970 /nfs/dbraw/zinc/72/19/70/521721970.db2.gz 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528113780 /nfs/dbraw/zinc/11/37/80/528113780.db2.gz ONTLOVYFSKXVJE-GOSISDBHSA-N 1 0 321.417 2.492 20 10 DECDRO CN1CCCc2cc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])ccc21 ZINC000294157140 536396047 /nfs/dbraw/zinc/39/60/47/536396047.db2.gz ROIOICIUQIWBOK-GOEBONIOSA-N 1 0 301.434 2.203 20 10 DECDRO CCOC1CC(O)(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835047532 649871153 /nfs/dbraw/zinc/87/11/53/649871153.db2.gz BAALVFUAGZQJRB-AATRIKPKSA-N 1 0 304.434 2.285 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC3(COC(=O)N3)CC2)cc1 ZINC000835048249 649871369 /nfs/dbraw/zinc/87/13/69/649871369.db2.gz OPOCUVJBGPWIMF-ONEGZZNKSA-N 1 0 315.417 2.340 20 10 DECDRO C[C@H](CN1CCOCC1)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054471 649872732 /nfs/dbraw/zinc/87/27/32/649872732.db2.gz QAPYHYJDDWHNPP-FUTAKVPZSA-N 1 0 317.477 2.418 20 10 DECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000835052137 649872272 /nfs/dbraw/zinc/87/22/72/649872272.db2.gz OGHIEBJRVJVKDY-JUPLKNRCSA-N 1 0 315.417 2.196 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]CCc2cnc(C)cn2)c1O ZINC000835060146 649874018 /nfs/dbraw/zinc/87/40/18/649874018.db2.gz ATQNQCYSHWEADM-UHFFFAOYSA-N 1 0 307.781 2.485 20 10 DECDRO CCOc1cccc(C[NH+]2CCC(CNC(C)=O)CC2)c1O ZINC000318001219 625295325 /nfs/dbraw/zinc/29/53/25/625295325.db2.gz UXHHRTJYSNOHEI-UHFFFAOYSA-N 1 0 306.406 2.139 20 10 DECDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCN1CCOCC1 ZINC000236591357 625296227 /nfs/dbraw/zinc/29/62/27/625296227.db2.gz CMSLRJUYFPLUNE-UHFFFAOYSA-N 1 0 303.450 2.099 20 10 DECDRO CC[NH2+]C1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001026612640 625560041 /nfs/dbraw/zinc/56/00/41/625560041.db2.gz IGZDPAHEXAMCFH-UHFFFAOYSA-N 1 0 317.393 2.500 20 10 DECDRO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCn2cncc2C1 ZINC000890760603 623198364 /nfs/dbraw/zinc/19/83/64/623198364.db2.gz VCFYXSGWHHWWPV-SNVBAGLBSA-N 1 0 305.765 2.121 20 10 DECDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\C2CC2)[NH+](C)C)cc1 ZINC000891254533 623800173 /nfs/dbraw/zinc/80/01/73/623800173.db2.gz ZGCNEFYRNVUNRR-PJCWUCBCSA-N 1 0 301.434 2.438 20 10 DECDRO CCCCOC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124007 623821070 /nfs/dbraw/zinc/82/10/70/623821070.db2.gz UIELTHVRYXUHJU-UHFFFAOYSA-N 1 0 320.433 2.298 20 10 DECDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161009264 624199152 /nfs/dbraw/zinc/19/91/52/624199152.db2.gz WJZRUCMPRGMYTQ-AWEZNQCLSA-N 1 0 314.433 2.416 20 10 DECDRO COc1ccc(C[NH2+]CCN(C)C2CCCC2)c(O)c1OC ZINC000892919562 625716147 /nfs/dbraw/zinc/71/61/47/625716147.db2.gz KABHYVOCCIAXHE-UHFFFAOYSA-N 1 0 308.422 2.373 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891563312 624479724 /nfs/dbraw/zinc/47/97/24/624479724.db2.gz CTLBZNKQDVRCSM-SJORKVTESA-N 1 0 316.449 2.097 20 10 DECDRO C[C@H](NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N(C)C)cc1 ZINC000891813203 624612826 /nfs/dbraw/zinc/61/28/26/624612826.db2.gz IQEXEPVBSTYUEY-XCRHUMRWSA-N 1 0 316.449 2.397 20 10 DECDRO CCO[C@@H]1C[C@H]([NH2+]CCCSc2nccs2)[C@H]1OC ZINC000893043933 625074328 /nfs/dbraw/zinc/07/43/28/625074328.db2.gz 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313.397 2.329 20 10 DECDRO c1cc2c(cc1C[NH2+]C[C@H]1CCN1C1CCOCC1)CCCO2 ZINC000922956512 636883894 /nfs/dbraw/zinc/88/38/94/636883894.db2.gz UZOYFUKHLLVSOM-GOSISDBHSA-N 1 0 316.445 2.355 20 10 DECDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922974504 636887868 /nfs/dbraw/zinc/88/78/68/636887868.db2.gz WOMSCUUHAZETEZ-GOSISDBHSA-N 1 0 314.433 2.234 20 10 DECDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000922974505 636888469 /nfs/dbraw/zinc/88/84/69/636888469.db2.gz WOMSCUUHAZETEZ-SFHVURJKSA-N 1 0 314.433 2.234 20 10 DECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1 ZINC000922992736 636901467 /nfs/dbraw/zinc/90/14/67/636901467.db2.gz YJYKWZGIBRWNEG-XVWMLYKFSA-N 1 0 311.433 2.041 20 10 DECDRO COc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(O)c1OC ZINC000894483884 637065130 /nfs/dbraw/zinc/06/51/30/637065130.db2.gz PESUCFQJZPXLPV-CYBMUJFWSA-N 1 0 317.389 2.132 20 10 DECDRO O=C([C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1)N1CCCC1 ZINC000894782442 637209593 /nfs/dbraw/zinc/20/95/93/637209593.db2.gz ZOSDOFCDDMKYPO-NSHDSACASA-N 1 0 310.344 2.115 20 10 DECDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894857364 637262944 /nfs/dbraw/zinc/26/29/44/637262944.db2.gz GKQQQEJZQORHTB-CQSZACIVSA-N 1 0 311.353 2.042 20 10 DECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894869837 637277109 /nfs/dbraw/zinc/27/71/09/637277109.db2.gz FJORCMJKHAAJMY-JTQLQIEISA-N 1 0 306.175 2.497 20 10 DECDRO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)[nH]1 ZINC000895011858 637374828 /nfs/dbraw/zinc/37/48/28/637374828.db2.gz MCGBJTRNKRXOEB-LLVKDONJSA-N 1 0 321.375 2.447 20 10 DECDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000840825390 650363174 /nfs/dbraw/zinc/36/31/74/650363174.db2.gz FZGDQTOYJHBYNY-IUODEOHRSA-N 1 0 302.418 2.448 20 10 DECDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000727167119 637767493 /nfs/dbraw/zinc/76/74/93/637767493.db2.gz GVBVZJVNGVVQSC-CYBMUJFWSA-N 1 0 313.401 2.418 20 10 DECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cn2cncn2)cc1F ZINC000740004446 637769974 /nfs/dbraw/zinc/76/99/74/637769974.db2.gz NEARLXMUXDANMH-ZDUSSCGKSA-N 1 0 305.401 2.442 20 10 DECDRO Cc1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)ccc1N1CCCCC1 ZINC000839147199 637788526 /nfs/dbraw/zinc/78/85/26/637788526.db2.gz GAIAFTVERFYSDT-IBGZPJMESA-N 1 0 318.461 2.305 20 10 DECDRO COc1ccc(N2CCC([NH2+]CCc3cn(C)cn3)CC2)cc1 ZINC000839150370 637790265 /nfs/dbraw/zinc/79/02/65/637790265.db2.gz XEALKEONGMWBBJ-UHFFFAOYSA-N 1 0 314.433 2.230 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](OC)C23CCC3)cc1OC ZINC000839180500 637811933 /nfs/dbraw/zinc/81/19/33/637811933.db2.gz DOOZIXQVMQZIHI-HOTGVXAUSA-N 1 0 307.390 2.457 20 10 DECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC(C)=NO3)CC2)cc1 ZINC000895306963 637910262 /nfs/dbraw/zinc/91/02/62/637910262.db2.gz LSEFXJKCUZPLJR-QGZVFWFLSA-N 1 0 303.406 2.418 20 10 DECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)cn3)C2)cc1 ZINC000895308990 637912009 /nfs/dbraw/zinc/91/20/09/637912009.db2.gz FZLWZBGPXOCFQW-OAHLLOKOSA-N 1 0 313.401 2.467 20 10 DECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000895582850 638101756 /nfs/dbraw/zinc/10/17/56/638101756.db2.gz HUKRGRAPAJHCBM-ZBEGNZNMSA-N 1 0 311.328 2.446 20 10 DECDRO COC(=O)c1cc(C[NH2+]Cc2c(C)cccc2O)n(C)c1C ZINC000895646453 638124641 /nfs/dbraw/zinc/12/46/41/638124641.db2.gz LHXPMLVIAQLMOG-UHFFFAOYSA-N 1 0 302.374 2.424 20 10 DECDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000895689544 638146017 /nfs/dbraw/zinc/14/60/17/638146017.db2.gz YJCRRACLOWDZAT-HDJSIYSDSA-N 1 0 305.399 2.211 20 10 DECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000840964609 650396360 /nfs/dbraw/zinc/39/63/60/650396360.db2.gz YQNYPQNCEGELIX-RNHYTNQLSA-N 1 0 304.434 2.143 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1C ZINC000840974924 650397878 /nfs/dbraw/zinc/39/78/78/650397878.db2.gz JTHLZJLQWCEBQH-UHFFFAOYSA-N 1 0 311.447 2.314 20 10 DECDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000840975159 650398797 /nfs/dbraw/zinc/39/87/97/650398797.db2.gz MBRCQVBNMVKGRW-UHFFFAOYSA-N 1 0 317.838 2.350 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCNC(=O)CC23CCC3)c(O)c1 ZINC000895928863 638271261 /nfs/dbraw/zinc/27/12/61/638271261.db2.gz SBZRLUMFWXHTJO-UHFFFAOYSA-N 1 0 304.390 2.036 20 10 DECDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000745854686 638293921 /nfs/dbraw/zinc/29/39/21/638293921.db2.gz NBWFKEQTCJPPSQ-RWMBFGLXSA-N 1 0 321.421 2.244 20 10 DECDRO CC(C)C[C@H](CN)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841038849 650410772 /nfs/dbraw/zinc/41/07/72/650410772.db2.gz RPFCWJPQTPVXBS-LLVKDONJSA-N 1 0 301.774 2.417 20 10 DECDRO Cc1ccc2ncc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)n2c1 ZINC000841045812 650413428 /nfs/dbraw/zinc/41/34/28/650413428.db2.gz QPNREGITPLMWMP-SFHVURJKSA-N 1 0 323.444 2.498 20 10 DECDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000747100790 638407802 /nfs/dbraw/zinc/40/78/02/638407802.db2.gz UWTPGIBDUVOBFS-HNNXBMFYSA-N 1 0 315.369 2.468 20 10 DECDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000747661840 638460551 /nfs/dbraw/zinc/46/05/51/638460551.db2.gz XBZPDVNOEZFVPG-INIZCTEOSA-N 1 0 318.417 2.424 20 10 DECDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841076530 650424019 /nfs/dbraw/zinc/42/40/19/650424019.db2.gz HYAWRZHJZWJGHX-OLZOCXBDSA-N 1 0 306.410 2.410 20 10 DECDRO Cc1cccc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000896461075 638535553 /nfs/dbraw/zinc/53/55/53/638535553.db2.gz NEZLUGNMZJQLIY-QGZVFWFLSA-N 1 0 304.390 2.411 20 10 DECDRO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000985160627 639088710 /nfs/dbraw/zinc/08/87/10/639088710.db2.gz ZRRCNUFGUSLQPP-YEORSEQZSA-N 1 0 317.393 2.355 20 10 DECDRO Oc1cc2c(cc1C[NH+]1CCC(O)(C3CCC3)CC1)OCO2 ZINC000897033155 639133924 /nfs/dbraw/zinc/13/39/24/639133924.db2.gz CMLWIRFNXGLODV-UHFFFAOYSA-N 1 0 305.374 2.248 20 10 DECDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756118607 639627134 /nfs/dbraw/zinc/62/71/34/639627134.db2.gz DXNBTNLGMUFXGT-WMLDXEAASA-N 1 0 322.474 2.200 20 10 DECDRO Oc1ccccc1CN(CC[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000756334859 639650988 /nfs/dbraw/zinc/65/09/88/639650988.db2.gz CZIPHYNLIQBXRJ-QGZVFWFLSA-N 1 0 304.434 2.469 20 10 DECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756703258 639687128 /nfs/dbraw/zinc/68/71/28/639687128.db2.gz AWTWBXWBFMJHBU-JBLDHEPKSA-N 1 0 315.410 2.492 20 10 DECDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710512 650547907 /nfs/dbraw/zinc/54/79/07/650547907.db2.gz XPBILLJDAKPJFR-PBHICJAKSA-N 1 0 316.449 2.084 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000841718590 650550573 /nfs/dbraw/zinc/55/05/73/650550573.db2.gz VLISUBPHQOLZAC-BBRMVZONSA-N 1 0 304.438 2.164 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000841720670 650551226 /nfs/dbraw/zinc/55/12/26/650551226.db2.gz YTAXPKSJZNFECX-GDBMZVCRSA-N 1 0 318.465 2.412 20 10 DECDRO CCN(CC)c1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000841718886 650551309 /nfs/dbraw/zinc/55/13/09/650551309.db2.gz XVZZRHZHPVPSFJ-UHFFFAOYSA-N 1 0 316.449 2.252 20 10 DECDRO CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840997357 640086599 /nfs/dbraw/zinc/08/65/99/640086599.db2.gz YSOAPEPGMZPGNP-HNNXBMFYSA-N 1 0 319.449 2.124 20 10 DECDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709582 650546891 /nfs/dbraw/zinc/54/68/91/650546891.db2.gz IFOAREYFKJUACB-MRXNPFEDSA-N 1 0 318.465 2.459 20 10 DECDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761992 650558685 /nfs/dbraw/zinc/55/86/85/650558685.db2.gz STKSEGYEKLCLJK-GFCCVEGCSA-N 1 0 310.417 2.208 20 10 DECDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[NH2+]CC3)ccc21 ZINC000841760067 650558408 /nfs/dbraw/zinc/55/84/08/650558408.db2.gz SNRWZRHTESCLSU-INIZCTEOSA-N 1 0 316.449 2.010 20 10 DECDRO COc1cc(Cl)cc(C[NH2+]C2(CCO)CCOCC2)c1O ZINC000761201729 640283839 /nfs/dbraw/zinc/28/38/39/640283839.db2.gz JEMNQLYQFPIPJY-UHFFFAOYSA-N 1 0 315.797 2.075 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841825020 650571558 /nfs/dbraw/zinc/57/15/58/650571558.db2.gz WNFBGYZEDMBMNA-LSDHHAIUSA-N 1 0 304.438 2.130 20 10 DECDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000863481413 640471012 /nfs/dbraw/zinc/47/10/12/640471012.db2.gz HDMDUCVUGHLHHT-UHFFFAOYSA-N 1 0 305.205 2.297 20 10 DECDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCSc1nccs1 ZINC000841855523 650581513 /nfs/dbraw/zinc/58/15/13/650581513.db2.gz AQCVIUBKYAJEBN-MNOVXSKESA-N 1 0 314.480 2.004 20 10 DECDRO C[NH+](C)CC1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841864605 650584938 /nfs/dbraw/zinc/58/49/38/650584938.db2.gz WHCJFAPOLQVBAA-UHFFFAOYSA-N 1 0 318.465 2.231 20 10 DECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1OC ZINC000897510515 640519552 /nfs/dbraw/zinc/51/95/52/640519552.db2.gz VKNFNUNHAFXANX-ZFWWWQNUSA-N 1 0 307.390 2.457 20 10 DECDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882996 650592101 /nfs/dbraw/zinc/59/21/01/650592101.db2.gz QLANDZCUTJBEID-VNHYZAJKSA-N 1 0 304.438 2.192 20 10 DECDRO CC(C)(CNC(=O)NCCc1ccc(N)cc1)C[NH+]1CCCC1 ZINC000841888871 650594468 /nfs/dbraw/zinc/59/44/68/650594468.db2.gz KJZVSXLVHUYANQ-UHFFFAOYSA-N 1 0 318.465 2.233 20 10 DECDRO CCc1cccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897563830 640804756 /nfs/dbraw/zinc/80/47/56/640804756.db2.gz YCXYYZMCMVCYTM-INIZCTEOSA-N 1 0 301.390 2.262 20 10 DECDRO CC1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000766215432 640859127 /nfs/dbraw/zinc/85/91/27/640859127.db2.gz ZTMCYYOLIPAQPH-UHFFFAOYSA-N 1 0 322.474 2.201 20 10 DECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961973 650614304 /nfs/dbraw/zinc/61/43/04/650614304.db2.gz JAHJEXQVYHQSEA-RHSMWYFYSA-N 1 0 316.449 2.080 20 10 DECDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841978612 650618027 /nfs/dbraw/zinc/61/80/27/650618027.db2.gz STJNUMXJAJMSSQ-BLLLJJGKSA-N 1 0 317.433 2.068 20 10 DECDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897826218 640947508 /nfs/dbraw/zinc/94/75/08/640947508.db2.gz VONHAOMUETVSRF-ONGXEEELSA-N 1 0 318.398 2.089 20 10 DECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000841988411 650620958 /nfs/dbraw/zinc/62/09/58/650620958.db2.gz QZHWMOWFDLEYGW-ZBFHGGJFSA-N 1 0 318.465 2.425 20 10 DECDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c(C)cccc1O ZINC000897988155 640996654 /nfs/dbraw/zinc/99/66/54/640996654.db2.gz XNEMCMWPRHVCBU-ZDUSSCGKSA-N 1 0 315.373 2.308 20 10 DECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842009491 650627317 /nfs/dbraw/zinc/62/73/17/650627317.db2.gz BMMQIVZAYSOCCF-ZFWWWQNUSA-N 1 0 305.422 2.441 20 10 DECDRO Oc1cc(Br)ccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898199583 641057789 /nfs/dbraw/zinc/05/77/89/641057789.db2.gz OUFXXLQPFLMAIB-LBPRGKRZSA-N 1 0 300.196 2.405 20 10 DECDRO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445739 641082026 /nfs/dbraw/zinc/08/20/26/641082026.db2.gz 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ZINC000768931964 641145414 /nfs/dbraw/zinc/14/54/14/641145414.db2.gz XNCXIQMYVIOAED-LLVKDONJSA-N 1 0 309.797 2.035 20 10 DECDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000769236502 641201353 /nfs/dbraw/zinc/20/13/53/641201353.db2.gz AXRRBOIEKZCWQI-OAHLLOKOSA-N 1 0 319.405 2.399 20 10 DECDRO Oc1cccc(Cl)c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769329815 641219273 /nfs/dbraw/zinc/21/92/73/641219273.db2.gz VBDMKLOTWAOZQG-ZBFHGGJFSA-N 1 0 310.825 2.077 20 10 DECDRO CCOc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000770303756 641354902 /nfs/dbraw/zinc/35/49/02/641354902.db2.gz IWTDFTCHXMFLAW-IAGOWNOFSA-N 1 0 307.390 2.171 20 10 DECDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000842224648 650673051 /nfs/dbraw/zinc/67/30/51/650673051.db2.gz DNOXIPKNTDWDKA-NVXWUHKLSA-N 1 0 312.429 2.283 20 10 DECDRO CCN(C)c1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000773884237 641836995 /nfs/dbraw/zinc/83/69/95/641836995.db2.gz KNQQLYGVNFGXSQ-INIZCTEOSA-N 1 0 319.493 2.420 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904714 641979272 /nfs/dbraw/zinc/97/92/72/641979272.db2.gz JXDCNNSVCFCSSC-NEPJUHHUSA-N 1 0 323.393 2.224 20 10 DECDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904716 641979366 /nfs/dbraw/zinc/97/93/66/641979366.db2.gz JXDCNNSVCFCSSC-RYUDHWBXSA-N 1 0 323.393 2.224 20 10 DECDRO COc1cc(Cl)cc(C[NH+]2CCC(CO)(OC)CC2)c1O ZINC000775204960 642016422 /nfs/dbraw/zinc/01/64/22/642016422.db2.gz UNTSNCQXSIQWDA-UHFFFAOYSA-N 1 0 315.797 2.028 20 10 DECDRO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256104 642022317 /nfs/dbraw/zinc/02/23/17/642022317.db2.gz VNLZSNGNAAQLKN-HNNXBMFYSA-N 1 0 319.449 2.090 20 10 DECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)c(OC)co2)c1 ZINC000775371973 642036444 /nfs/dbraw/zinc/03/64/44/642036444.db2.gz WMPIRFYIFBQKJO-SNVBAGLBSA-N 1 0 305.330 2.213 20 10 DECDRO COc1ccc(O)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000775648245 642071386 /nfs/dbraw/zinc/07/13/86/642071386.db2.gz BMKJMUYZWKPCDE-QGZVFWFLSA-N 1 0 320.433 2.088 20 10 DECDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000775702282 642081648 /nfs/dbraw/zinc/08/16/48/642081648.db2.gz UCEXTVJEOWDPMS-LBPRGKRZSA-N 1 0 316.323 2.296 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](C)CN2CCCCC2)cc1OC ZINC000775972769 642117370 /nfs/dbraw/zinc/11/73/70/642117370.db2.gz PQNYGEVDYTUHBY-CYBMUJFWSA-N 1 0 308.422 2.373 20 10 DECDRO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776236619 642148750 /nfs/dbraw/zinc/14/87/50/642148750.db2.gz ADBPUTQLZNRBJM-AWEZNQCLSA-N 1 0 306.454 2.407 20 10 DECDRO NC(=O)[C@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1Cl ZINC000776935423 642218459 /nfs/dbraw/zinc/21/84/59/642218459.db2.gz CDEWPAUHZGLKGH-AWEZNQCLSA-N 1 0 318.804 2.479 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000899982671 642227181 /nfs/dbraw/zinc/22/71/81/642227181.db2.gz JECAWSUZGRRQGY-IAGOWNOFSA-N 1 0 301.434 2.386 20 10 DECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000779192141 642471057 /nfs/dbraw/zinc/47/10/57/642471057.db2.gz GGZPOZHIZYIQGG-IBGZPJMESA-N 1 0 324.380 2.497 20 10 DECDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000842511915 650758190 /nfs/dbraw/zinc/75/81/90/650758190.db2.gz ZJLJEYKJWGYKPK-MRXNPFEDSA-N 1 0 312.417 2.298 20 10 DECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779519567 642507843 /nfs/dbraw/zinc/50/78/43/642507843.db2.gz PFVHRCVEKYEBIB-QPBFKRLHSA-N 1 0 304.390 2.102 20 10 DECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@H](O)CO2 ZINC000842618591 650783923 /nfs/dbraw/zinc/78/39/23/650783923.db2.gz SUVMJXIECHFKNU-XGWLTEMNSA-N 1 0 319.401 2.209 20 10 DECDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000783506012 643012853 /nfs/dbraw/zinc/01/28/53/643012853.db2.gz YVIXKIRKOWNTOD-ZDUSSCGKSA-N 1 0 314.385 2.368 20 10 DECDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000902472997 643041021 /nfs/dbraw/zinc/04/10/21/643041021.db2.gz NUGXKUYYOUUUNX-JSQNDZKTSA-N 1 0 319.424 2.206 20 10 DECDRO Cn1cnc(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000902699902 643110610 /nfs/dbraw/zinc/11/06/10/643110610.db2.gz VRMANPUCHXRLSR-JJEJIETFSA-N 1 0 322.412 2.445 20 10 DECDRO C[C@H]1C[C@H]([NH2+]CCN2CCCOCC2)c2c1c(F)ccc2O ZINC000903225744 643288152 /nfs/dbraw/zinc/28/81/52/643288152.db2.gz AGEUKVDEJCFZTO-JSGCOSHPSA-N 1 0 308.397 2.392 20 10 DECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1 ZINC000903399437 643343800 /nfs/dbraw/zinc/34/38/00/643343800.db2.gz WJEQWIMVMTWJOB-CHWSQXEVSA-N 1 0 314.389 2.126 20 10 DECDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447702 643354820 /nfs/dbraw/zinc/35/48/20/643354820.db2.gz BMIYUWQZNZMYCQ-KDOFPFPSSA-N 1 0 315.465 2.440 20 10 DECDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)c1 ZINC000903447703 643355015 /nfs/dbraw/zinc/35/50/15/643355015.db2.gz BMIYUWQZNZMYCQ-KSSFIOAISA-N 1 0 315.465 2.440 20 10 DECDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000903804218 643468874 /nfs/dbraw/zinc/46/88/74/643468874.db2.gz BBHNMPAOUNIKFC-HKUYNNGSSA-N 1 0 315.461 2.227 20 10 DECDRO COc1ccc(N2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903887004 643497461 /nfs/dbraw/zinc/49/74/61/643497461.db2.gz WMZPUZPLISLDBW-ZDUSSCGKSA-N 1 0 313.392 2.190 20 10 DECDRO [NH3+][C@H](CC(F)F)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000903905481 643503276 /nfs/dbraw/zinc/50/32/76/643503276.db2.gz GTZGMJAIATUQMA-ZIAGYGMSSA-N 1 0 314.376 2.356 20 10 DECDRO COc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903984332 643539644 /nfs/dbraw/zinc/53/96/44/643539644.db2.gz UIBMGAYLGQEFBS-NWDGAFQWSA-N 1 0 304.312 2.112 20 10 DECDRO COc1ccc(O)c(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000788300251 643591092 /nfs/dbraw/zinc/59/10/92/643591092.db2.gz WVNAVPSNDBMKRR-AWEZNQCLSA-N 1 0 306.406 2.282 20 10 DECDRO Fc1cc(C[NH2+]CCOC(F)(F)F)ccc1N1CCOCC1 ZINC000788969482 643665404 /nfs/dbraw/zinc/66/54/04/643665404.db2.gz ISVVFRGETBAPBT-UHFFFAOYSA-N 1 0 322.302 2.288 20 10 DECDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843045054 650875748 /nfs/dbraw/zinc/87/57/48/650875748.db2.gz HEYRCDBFXUDNMP-YJBOKZPZSA-N 1 0 303.450 2.225 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@](C)(O)C(F)F)C2)cc1 ZINC000905290504 643859810 /nfs/dbraw/zinc/85/98/10/643859810.db2.gz NEHSKMABYDXLCW-BLLLJJGKSA-N 1 0 314.376 2.127 20 10 DECDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793012397 644180205 /nfs/dbraw/zinc/18/02/05/644180205.db2.gz LIGDTWRUUBKGHO-VIFPVBQESA-N 1 0 303.328 2.125 20 10 DECDRO COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123884 650900537 /nfs/dbraw/zinc/90/05/37/650900537.db2.gz RHCXDNJTNNFVQU-GFCCVEGCSA-N 1 0 309.366 2.012 20 10 DECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc(Cl)n2)cc1 ZINC000906541134 644279879 /nfs/dbraw/zinc/27/98/79/644279879.db2.gz ROSWXXXIDJZGCY-NSHDSACASA-N 1 0 324.837 2.292 20 10 DECDRO COc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)c(O)c1 ZINC000794378378 644405316 /nfs/dbraw/zinc/40/53/16/644405316.db2.gz FTXPJRHOCIQUHY-UHFFFAOYSA-N 1 0 314.385 2.392 20 10 DECDRO COc1ccc(O)c(CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC000907061658 644433044 /nfs/dbraw/zinc/43/30/44/644433044.db2.gz WNYFZVPTYJMITP-UHFFFAOYSA-N 1 0 306.406 2.282 20 10 DECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000794669253 644456651 /nfs/dbraw/zinc/45/66/51/644456651.db2.gz SKMVEYHOMJMWNZ-CXAGYDPISA-N 1 0 307.390 2.089 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704805 644463344 /nfs/dbraw/zinc/46/33/44/644463344.db2.gz NSNBLSIWJSCWEA-FZKQIMNGSA-N 1 0 303.402 2.261 20 10 DECDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@]2(CCOC2)O1 ZINC000794708672 644463893 /nfs/dbraw/zinc/46/38/93/644463893.db2.gz YESKWPIBNLGFJB-UGSOOPFHSA-N 1 0 314.385 2.320 20 10 DECDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000796499678 644745995 /nfs/dbraw/zinc/74/59/95/644745995.db2.gz AHNDULFFEWRPOM-UHFFFAOYSA-N 1 0 323.412 2.460 20 10 DECDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]1(C)C[NH3+] ZINC000841086675 645025763 /nfs/dbraw/zinc/02/57/63/645025763.db2.gz CGODIBYADVUHCO-YMTOWFKASA-N 1 0 313.785 2.371 20 10 DECDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000910951917 645593298 /nfs/dbraw/zinc/59/32/98/645593298.db2.gz YLRWFMWXUSFVSI-CQSZACIVSA-N 1 0 318.417 2.369 20 10 DECDRO C[C@@]12C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114659 645986718 /nfs/dbraw/zinc/98/67/18/645986718.db2.gz HSACNEDFKUXTGA-VEHNABEHSA-N 1 0 313.397 2.462 20 10 DECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1F ZINC000808431649 646083547 /nfs/dbraw/zinc/08/35/47/646083547.db2.gz XBKUSMMWSAZRNL-HNNXBMFYSA-N 1 0 303.381 2.152 20 10 DECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000808708002 646131780 /nfs/dbraw/zinc/13/17/80/646131780.db2.gz DQMCFLMLLJFNRX-QMTHXVAHSA-N 1 0 309.797 2.472 20 10 DECDRO COc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)c(O)cc1C ZINC000840172546 646220975 /nfs/dbraw/zinc/22/09/75/646220975.db2.gz BCZSEICHSKROFF-UHFFFAOYSA-N 1 0 301.390 2.391 20 10 DECDRO COc1cc(O)c(C[NH2+]Cc2cnn3ccccc23)cc1OC ZINC000809701207 646265687 /nfs/dbraw/zinc/26/56/87/646265687.db2.gz VRUNQBVGIZMFQP-UHFFFAOYSA-N 1 0 313.357 2.347 20 10 DECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000840186283 646290880 /nfs/dbraw/zinc/29/08/80/646290880.db2.gz YGNLYLCVCYDGMO-KRWDZBQOSA-N 1 0 307.390 2.484 20 10 DECDRO CC[NH+](CC)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000045545240 646497644 /nfs/dbraw/zinc/49/76/44/646497644.db2.gz LYNPMRBRRUWNPX-UHFFFAOYSA-N 1 0 306.454 2.236 20 10 DECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000169091592 646603302 /nfs/dbraw/zinc/60/33/02/646603302.db2.gz DYXREEIKHZXJQN-UGZDLDLSSA-N 1 0 305.827 2.301 20 10 DECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000753568411 646627525 /nfs/dbraw/zinc/62/75/25/646627525.db2.gz PWEMFGXSASLZNH-CYBMUJFWSA-N 1 0 317.838 2.411 20 10 DECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813332776 646758035 /nfs/dbraw/zinc/75/80/35/646758035.db2.gz FKFYFZYOSPWOHG-SFHVURJKSA-N 1 0 320.433 2.156 20 10 DECDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000174431032 646811061 /nfs/dbraw/zinc/81/10/61/646811061.db2.gz KNTCUKYTSULDFK-UHFFFAOYSA-N 1 0 320.433 2.345 20 10 DECDRO COc1cc(Br)cc(C[NH2+]C(C)(C)CCO)c1O ZINC000174578592 646816644 /nfs/dbraw/zinc/81/66/44/646816644.db2.gz NCQOFTBCFZKZLJ-UHFFFAOYSA-N 1 0 318.211 2.414 20 10 DECDRO Cc1cc(C[NH+]2CCN(c3nccn3C)CC2)ccc1N(C)C ZINC000815073783 646963420 /nfs/dbraw/zinc/96/34/20/646963420.db2.gz AEZMHSLRWZCXOT-UHFFFAOYSA-N 1 0 313.449 2.117 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1n1cccn1 ZINC000815166923 646982513 /nfs/dbraw/zinc/98/25/13/646982513.db2.gz MKFVWFRKMWLZRB-KBAYOESNSA-N 1 0 313.401 2.326 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)[C@H]1n1cccn1 ZINC000815166589 646982694 /nfs/dbraw/zinc/98/26/94/646982694.db2.gz HKWVLJAOOLMOPG-DJIMGWMZSA-N 1 0 301.390 2.405 20 10 DECDRO C[C@@H](CNC(=O)NCc1c(O)cccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000914074372 647145871 /nfs/dbraw/zinc/14/58/71/647145871.db2.gz DCGFYNFJEZBEAD-STQMWFEESA-N 1 0 323.412 2.451 20 10 DECDRO CC1CC[NH+](CCNC(=O)NCc2c(O)cccc2F)CC1 ZINC000914074213 647146019 /nfs/dbraw/zinc/14/60/19/647146019.db2.gz AITYSBRPOVXETH-UHFFFAOYSA-N 1 0 309.385 2.062 20 10 DECDRO Oc1c(C[NH2+]C[C@@H](O)COCC2CC2)ccc2ccccc21 ZINC000816545791 647149482 /nfs/dbraw/zinc/14/94/82/647149482.db2.gz HWCKQHCLOXCLJQ-MRXNPFEDSA-N 1 0 301.386 2.423 20 10 DECDRO Oc1c(C[NH2+]C[C@H](O)COCC2CC2)ccc2ccccc21 ZINC000816545790 647149753 /nfs/dbraw/zinc/14/97/53/647149753.db2.gz HWCKQHCLOXCLJQ-INIZCTEOSA-N 1 0 301.386 2.423 20 10 DECDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)S(C)(=O)=O ZINC000816554848 647151454 /nfs/dbraw/zinc/15/14/54/647151454.db2.gz KOZWMFJRCFVJHI-UHFFFAOYSA-N 1 0 307.415 2.458 20 10 DECDRO OCC[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000816556804 647151480 /nfs/dbraw/zinc/15/14/80/647151480.db2.gz UJSRQMQLGKCEQI-GOSISDBHSA-N 1 0 301.386 2.424 20 10 DECDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816611935 647158642 /nfs/dbraw/zinc/15/86/42/647158642.db2.gz AZDUISYRPVXGIB-ZDUSSCGKSA-N 1 0 319.426 2.460 20 10 DECDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000816661066 647164469 /nfs/dbraw/zinc/16/44/69/647164469.db2.gz ZZACBXQIHYYOQT-MRXNPFEDSA-N 1 0 321.440 2.188 20 10 DECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816666082 647165550 /nfs/dbraw/zinc/16/55/50/647165550.db2.gz DGCXDKNGXSGKTQ-QGZVFWFLSA-N 1 0 304.434 2.118 20 10 DECDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000816667417 647166379 /nfs/dbraw/zinc/16/63/79/647166379.db2.gz MUXAQNLSMIQHLG-OAHLLOKOSA-N 1 0 308.397 2.009 20 10 DECDRO CCN(CC)c1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1F ZINC000817411362 647288400 /nfs/dbraw/zinc/28/84/00/647288400.db2.gz QQVPVVSHOHJTQR-UHFFFAOYSA-N 1 0 307.413 2.417 20 10 DECDRO CCOc1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c(O)c1 ZINC000817419834 647291330 /nfs/dbraw/zinc/29/13/30/647291330.db2.gz KTOGFWNCKFGCEC-CYBMUJFWSA-N 1 0 309.406 2.465 20 10 DECDRO CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1C ZINC000817709166 647346669 /nfs/dbraw/zinc/34/66/69/647346669.db2.gz QFCCOMJLZIWYHB-UHFFFAOYSA-N 1 0 313.449 2.346 20 10 DECDRO Oc1cccc2c1[C@@H](Nc1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC000817951372 647391965 /nfs/dbraw/zinc/39/19/65/647391965.db2.gz DWLBVNXYLVOQNB-HNNXBMFYSA-N 1 0 310.401 2.296 20 10 DECDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965106 647395915 /nfs/dbraw/zinc/39/59/15/647395915.db2.gz PQYPGOQVKJLICK-CYBMUJFWSA-N 1 0 307.413 2.194 20 10 DECDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817982417 647399795 /nfs/dbraw/zinc/39/97/95/647399795.db2.gz DPMOYJVUTZESQP-HOCLYGCPSA-N 1 0 321.440 2.455 20 10 DECDRO [NH3+]CC1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000817993719 647401635 /nfs/dbraw/zinc/40/16/35/647401635.db2.gz QWEZBKCSZURKMM-OAHLLOKOSA-N 1 0 318.417 2.029 20 10 DECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C)nn3C)C2)cc1 ZINC000818222966 647436175 /nfs/dbraw/zinc/43/61/75/647436175.db2.gz ZGCQNUYEVZEHFQ-HNNXBMFYSA-N 1 0 314.433 2.353 20 10 DECDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964548 647550659 /nfs/dbraw/zinc/55/06/59/647550659.db2.gz ZHBZJHHLAJHHJW-KRWDZBQOSA-N 1 0 324.490 2.115 20 10 DECDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(O)CCC3)cc2F)C[C@@H](C)O1 ZINC000818966854 647551546 /nfs/dbraw/zinc/55/15/46/647551546.db2.gz OXVJGNXKBKJIIZ-ZIAGYGMSSA-N 1 0 322.424 2.444 20 10 DECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925423952 647559547 /nfs/dbraw/zinc/55/95/47/647559547.db2.gz HOWYCYTYGLLWJR-OAHLLOKOSA-N 1 0 305.422 2.408 20 10 DECDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094569 647582201 /nfs/dbraw/zinc/58/22/01/647582201.db2.gz IEKVBDJZZVAVDR-GOSISDBHSA-N 1 0 304.434 2.186 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)COC(C)C ZINC000819377546 647647512 /nfs/dbraw/zinc/64/75/12/647647512.db2.gz SSBPMDRJQOVXQB-QAPCUYQASA-N 1 0 308.466 2.368 20 10 DECDRO C[NH+]1CCN(c2ccccc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000820489483 647855261 /nfs/dbraw/zinc/85/52/61/647855261.db2.gz GABZBYVURNWUCI-UHFFFAOYSA-N 1 0 317.414 2.458 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)Cn2cccn2)cc1 ZINC000917019308 647955548 /nfs/dbraw/zinc/95/55/48/647955548.db2.gz ANMWEFUKBPECDX-SFHVURJKSA-N 1 0 316.449 2.222 20 10 DECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CCOCC1 ZINC000822511653 648222689 /nfs/dbraw/zinc/22/26/89/648222689.db2.gz LEABRMAVJZYHJR-UHFFFAOYSA-N 1 0 307.390 2.184 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)N3C)CC2)c(Cl)c1 ZINC000822530015 648226790 /nfs/dbraw/zinc/22/67/90/648226790.db2.gz NMEAZFKPVWSRBP-UHFFFAOYSA-N 1 0 323.824 2.344 20 10 DECDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000920868295 648260091 /nfs/dbraw/zinc/26/00/91/648260091.db2.gz NMCHWMMCUXLHLK-CQSZACIVSA-N 1 0 312.417 2.472 20 10 DECDRO CCC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179641057 648402630 /nfs/dbraw/zinc/40/26/30/648402630.db2.gz UPHHEPFRZZHIKL-CYBMUJFWSA-N 1 0 317.838 2.445 20 10 DECDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000237689675 648405448 /nfs/dbraw/zinc/40/54/48/648405448.db2.gz MLCRHZSXROFUJV-HNNXBMFYSA-N 1 0 312.417 2.300 20 10 DECDRO Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1O ZINC000179672398 648406343 /nfs/dbraw/zinc/40/63/43/648406343.db2.gz VGQRAYWFDDDSEB-UHFFFAOYSA-N 1 0 308.385 2.290 20 10 DECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823664363 648464117 /nfs/dbraw/zinc/46/41/17/648464117.db2.gz VTEZKCMVZLPXMG-JKSUJKDBSA-N 1 0 317.477 2.450 20 10 DECDRO CN(Cc1ccccc1O)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000824125053 648531567 /nfs/dbraw/zinc/53/15/67/648531567.db2.gz BKUVTINGGMNDJS-IBGZPJMESA-N 1 0 310.397 2.282 20 10 DECDRO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000824608245 648622597 /nfs/dbraw/zinc/62/25/97/648622597.db2.gz DVBURKUFHRVRIH-INIZCTEOSA-N 1 0 305.422 2.415 20 10 DECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824637491 648628185 /nfs/dbraw/zinc/62/81/85/648628185.db2.gz XLVVVLCTUOMIBZ-NVXWUHKLSA-N 1 0 322.424 2.255 20 10 DECDRO COCC[N@H+](CCC(=O)OC)Cc1cc(Cl)c(C)cc1O ZINC000824813869 648656587 /nfs/dbraw/zinc/65/65/87/648656587.db2.gz IURKJUHCJWTBDR-UHFFFAOYSA-N 1 0 315.797 2.366 20 10 DECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1Cl ZINC000825308498 648738755 /nfs/dbraw/zinc/73/87/55/648738755.db2.gz ADYCOWFRVWPKQV-MPKXVKKWSA-N 1 0 308.809 2.453 20 10 DECDRO CC1(C)CCCN1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000825326227 648742020 /nfs/dbraw/zinc/74/20/20/648742020.db2.gz KMMBIHYINVBQGO-UHFFFAOYSA-N 1 0 317.477 2.487 20 10 DECDRO CCN(CC)c1ccc(CN2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000825337641 648744537 /nfs/dbraw/zinc/74/45/37/648744537.db2.gz HSBMVLZZKWQZPU-INIZCTEOSA-N 1 0 305.466 2.031 20 10 DECDRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)c(O)c1O ZINC000181793504 648752817 /nfs/dbraw/zinc/75/28/17/648752817.db2.gz RJQCQNFFCJLUPK-UHFFFAOYSA-N 1 0 306.406 2.402 20 10 DECDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825468086 648767150 /nfs/dbraw/zinc/76/71/50/648767150.db2.gz FDFDOGYFONZUOZ-VHSXEESVSA-N 1 0 300.196 2.357 20 10 DECDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(OC)cc1O ZINC000825752471 648809436 /nfs/dbraw/zinc/80/94/36/648809436.db2.gz BETLJBFINNQUCR-HNNXBMFYSA-N 1 0 309.406 2.322 20 10 DECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000826019294 648838658 /nfs/dbraw/zinc/83/86/58/648838658.db2.gz CPYPBZSHPPAXQO-INIZCTEOSA-N 1 0 303.450 2.489 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000826902708 648944686 /nfs/dbraw/zinc/94/46/86/648944686.db2.gz LREGEZAARWBNLT-OAHLLOKOSA-N 1 0 312.369 2.078 20 10 DECDRO CCOc1ccc(C[N@H+](CCOCCO)C2CCC2)c(O)c1 ZINC000827210904 648993191 /nfs/dbraw/zinc/99/31/91/648993191.db2.gz SXTWQTWDQXGOMN-UHFFFAOYSA-N 1 0 309.406 2.154 20 10 DECDRO CN(C)c1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000827855653 649095331 /nfs/dbraw/zinc/09/53/31/649095331.db2.gz GDVDJAKSLHAYIY-INIZCTEOSA-N 1 0 323.456 2.434 20 10 DECDRO [NH3+]CCCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003953 649258065 /nfs/dbraw/zinc/25/80/65/649258065.db2.gz VRKQGFQNDRZYSF-INIZCTEOSA-N 1 0 320.433 2.419 20 10 DECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597418 649465894 /nfs/dbraw/zinc/46/58/94/649465894.db2.gz ICMKUAFGMZFTKR-GDBMZVCRSA-N 1 0 302.418 2.275 20 10 DECDRO [NH3+]CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC000830598031 649465905 /nfs/dbraw/zinc/46/59/05/649465905.db2.gz ZUECOKOIYLBGNZ-UHFFFAOYSA-N 1 0 302.418 2.406 20 10 DECDRO COc1ccc(C[NH2+]Cc2cccc3c2OCCO3)c(O)c1 ZINC000733331435 649546119 /nfs/dbraw/zinc/54/61/19/649546119.db2.gz MWGCKFHXWOIKDN-UHFFFAOYSA-N 1 0 301.342 2.462 20 10 DECDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O ZINC000832012575 649668748 /nfs/dbraw/zinc/66/87/48/649668748.db2.gz YDXSGURBSROBIO-QZTJIDSGSA-N 1 0 304.434 2.177 20 10 DECDRO CCO[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000832266946 649690598 /nfs/dbraw/zinc/69/05/98/649690598.db2.gz LDTPAVRUNRVOIK-SJORKVTESA-N 1 0 321.465 2.320 20 10 DECDRO O=C1NCCc2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc21 ZINC000834765797 649841559 /nfs/dbraw/zinc/84/15/59/649841559.db2.gz OPZJYLHPJIHAKI-MRXNPFEDSA-N 1 0 308.381 2.455 20 10 DECDRO O=C1NCCc2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc21 ZINC000834765796 649841646 /nfs/dbraw/zinc/84/16/46/649841646.db2.gz OPZJYLHPJIHAKI-INIZCTEOSA-N 1 0 308.381 2.455 20 10 DECDRO C[C@H](C(=O)Nc1nccs1)N1CCCc2cc(C[NH3+])ccc21 ZINC000844219666 651095395 /nfs/dbraw/zinc/09/53/95/651095395.db2.gz OBAZDVQVAGXXDU-LLVKDONJSA-N 1 0 316.430 2.382 20 10 DECDRO CCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1=O ZINC000846097528 651307351 /nfs/dbraw/zinc/30/73/51/651307351.db2.gz QVDOWZTXDONFKI-SNVBAGLBSA-N 1 0 312.797 2.012 20 10 DECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846122702 651309271 /nfs/dbraw/zinc/30/92/71/651309271.db2.gz LLWQHAMWGXGDNG-HNNXBMFYSA-N 1 0 314.385 2.267 20 10 DECDRO COc1cccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1O ZINC000846148264 651310944 /nfs/dbraw/zinc/31/09/44/651310944.db2.gz YXLMATGCWDQQSX-ZDUSSCGKSA-N 1 0 308.422 2.162 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000846167635 651312618 /nfs/dbraw/zinc/31/26/18/651312618.db2.gz MGYNZKQHUDNAAZ-OCCSQVGLSA-N 1 0 306.406 2.310 20 10 DECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000846189364 651314157 /nfs/dbraw/zinc/31/41/57/651314157.db2.gz KPIVIJPYPIEATD-MRTMQBJTSA-N 1 0 313.195 2.069 20 10 DECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846205919 651315098 /nfs/dbraw/zinc/31/50/98/651315098.db2.gz KQXWRSJOOQZUHA-NEPJUHHUSA-N 1 0 304.390 2.062 20 10 DECDRO CC(C)C[N@H+](C)CCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846290817 651321365 /nfs/dbraw/zinc/32/13/65/651321365.db2.gz GRSGTLYPGBDYRE-VURMDHGXSA-N 1 0 306.406 2.205 20 10 DECDRO CC[N@H+](C)C[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000846826097 651354911 /nfs/dbraw/zinc/35/49/11/651354911.db2.gz ZHWXTXNGAJLAFU-INIZCTEOSA-N 1 0 318.417 2.300 20 10 DECDRO CN(C)c1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000846928943 651362540 /nfs/dbraw/zinc/36/25/40/651362540.db2.gz IZLRBTUAKNJTLE-KRWDZBQOSA-N 1 0 315.461 2.489 20 10 DECDRO O=C(NCCCSc1nccs1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848400547 651456577 /nfs/dbraw/zinc/45/65/77/651456577.db2.gz LKCPUWXYJKIIIC-RISCZKNCSA-N 1 0 311.476 2.131 20 10 DECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c(Cl)c1 ZINC000848575717 651473679 /nfs/dbraw/zinc/47/36/79/651473679.db2.gz ABHLQYKAKOEMDU-LLVKDONJSA-N 1 0 310.781 2.427 20 10 DECDRO CCc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000848888592 651546230 /nfs/dbraw/zinc/54/62/30/651546230.db2.gz XGDRWXLQEMFZMG-OAHLLOKOSA-N 1 0 304.434 2.109 20 10 DECDRO CCc1cccc(C[N@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000848917496 651561210 /nfs/dbraw/zinc/56/12/10/651561210.db2.gz HDGJYGQBEARQHO-UHFFFAOYSA-N 1 0 306.450 2.497 20 10 DECDRO COCC[N@@H+](Cc1cccc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000848922426 651563170 /nfs/dbraw/zinc/56/31/70/651563170.db2.gz RLQZVYKUXGZRBP-GFCCVEGCSA-N 1 0 307.312 2.072 20 10 DECDRO COc1cc(C[NH2+]CCNC(=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000850007705 651801550 /nfs/dbraw/zinc/80/15/50/651801550.db2.gz OKROAWIQHXYKFT-UHFFFAOYSA-N 1 0 320.433 2.314 20 10 DECDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000850389530 651917412 /nfs/dbraw/zinc/91/74/12/651917412.db2.gz YZDJQRHVRCLXAO-SJORKVTESA-N 1 0 320.408 2.055 20 10 DECDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C2)ccc1N1CCCCC1 ZINC000850417921 651925031 /nfs/dbraw/zinc/92/50/31/651925031.db2.gz RCYAJRMGHFGUPF-HDJSIYSDSA-N 1 0 305.378 2.198 20 10 DECDRO Cc1cccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857059073 652042564 /nfs/dbraw/zinc/04/25/64/652042564.db2.gz ZNMVUPFUVPNXAK-MRXNPFEDSA-N 1 0 317.410 2.460 20 10 DECDRO Cn1cc(/C=C/C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857930137 652208702 /nfs/dbraw/zinc/20/87/02/652208702.db2.gz FLKLAMGVZUHKBR-VGMNTSGFSA-N 1 0 324.428 2.343 20 10 DECDRO CC(=O)N1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858090357 652251237 /nfs/dbraw/zinc/25/12/37/652251237.db2.gz NHECIRQMZAOLHG-UHFFFAOYSA-N 1 0 311.376 2.131 20 10 DECDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000115854973 652253046 /nfs/dbraw/zinc/25/30/46/652253046.db2.gz LPTVZPOUDMFJRH-UHFFFAOYSA-N 1 0 318.465 2.298 20 10 DECDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858101102 652254314 /nfs/dbraw/zinc/25/43/14/652254314.db2.gz ZGDPVQMGTVVDFH-NSHDSACASA-N 1 0 311.376 2.131 20 10 DECDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(O)c1 ZINC000852412937 652397638 /nfs/dbraw/zinc/39/76/38/652397638.db2.gz MAAFHVMXRBGSEQ-CYBMUJFWSA-N 1 0 321.421 2.073 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(F)s2)cc1 ZINC000852791557 652457966 /nfs/dbraw/zinc/45/79/66/652457966.db2.gz JJOFLPHHMBSBDZ-GFCCVEGCSA-N 1 0 307.394 2.383 20 10 DECDRO CO[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000852791832 652458048 /nfs/dbraw/zinc/45/80/48/652458048.db2.gz NHTWAGODDXFPLZ-IAGOWNOFSA-N 1 0 319.449 2.074 20 10 DECDRO COc1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)c(O)c1 ZINC000852826814 652464862 /nfs/dbraw/zinc/46/48/62/652464862.db2.gz ZLFDNQCQGBBSHZ-UHFFFAOYSA-N 1 0 318.398 2.038 20 10 DECDRO O=C1OCCN1C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000853608268 652578181 /nfs/dbraw/zinc/57/81/81/652578181.db2.gz MQYXVKYDQLMOGN-UHFFFAOYSA-N 1 0 316.401 2.298 20 10 DECDRO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCOCC2)c(F)c1 ZINC000854228323 652661527 /nfs/dbraw/zinc/66/15/27/652661527.db2.gz VEWKJMYCBOACOQ-WRSVWVKZSA-N 1 0 319.424 2.065 20 10 DECDRO CN(C)c1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000043862447 683902025 /nfs/dbraw/zinc/90/20/25/683902025.db2.gz DVTJBSMSTMMRPD-UHFFFAOYSA-N 1 0 304.438 2.038 20 10 DECDRO CN(C)c1ccc(CNc2ccn(CC[NH+](C)C)n2)cc1F ZINC000119829467 684087752 /nfs/dbraw/zinc/08/77/52/684087752.db2.gz IXFNVXLGUYKRKC-UHFFFAOYSA-N 1 0 305.401 2.262 20 10 DECDRO Cc1cc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)on1 ZINC000122393095 684115503 /nfs/dbraw/zinc/11/55/03/684115503.db2.gz UNIVYBATCVFLKD-UHFFFAOYSA-N 1 0 301.390 2.315 20 10 DECDRO CCC(=O)N1CCC[N@H+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000160048524 684325276 /nfs/dbraw/zinc/32/52/76/684325276.db2.gz WCSUWHFIPHMWBB-UHFFFAOYSA-N 1 0 306.406 2.154 20 10 DECDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000160059007 684326140 /nfs/dbraw/zinc/32/61/40/684326140.db2.gz NOMVDTGCLSAQRI-ZDUSSCGKSA-N 1 0 321.471 2.312 20 10 DECDRO C[NH+](C)CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000928831562 693852186 /nfs/dbraw/zinc/85/21/86/693852186.db2.gz ORMGPXWXVYSAKV-CYBMUJFWSA-N 1 0 305.403 2.272 20 10 DECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000245851411 685119210 /nfs/dbraw/zinc/11/92/10/685119210.db2.gz CWGCXEJXQUEGHD-HUUCEWRRSA-N 1 0 303.450 2.347 20 10 DECDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000304027739 685244432 /nfs/dbraw/zinc/24/44/32/685244432.db2.gz FIEXLVPVPBGFBG-QAPCUYQASA-N 1 0 306.450 2.410 20 10 DECDRO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000859257701 685693152 /nfs/dbraw/zinc/69/31/52/685693152.db2.gz DIZJRLFNGGTHEV-LBPRGKRZSA-N 1 0 314.389 2.180 20 10 DECDRO C[N@@H+]1C[C@H](C(=O)NCc2ccccc2O)[C@@H](c2ccccc2)C1 ZINC000860232671 685902697 /nfs/dbraw/zinc/90/26/97/685902697.db2.gz CFEIRIUZDGPWKS-SJORKVTESA-N 1 0 310.397 2.354 20 10 DECDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1OC ZINC000862528614 686314619 /nfs/dbraw/zinc/31/46/19/686314619.db2.gz CSRMDBYWDTZWAP-SUMWQHHRSA-N 1 0 307.390 2.004 20 10 DECDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C)NC3)CC2)cc1 ZINC000863484004 686508858 /nfs/dbraw/zinc/50/88/58/686508858.db2.gz GIXHWPWLDGGLMA-GDBMZVCRSA-N 1 0 303.450 2.394 20 10 DECDRO CC1(C)CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)[NH2+]C1 ZINC000864059094 686608794 /nfs/dbraw/zinc/60/87/94/686608794.db2.gz XVAFICZUPKHABW-CYBMUJFWSA-N 1 0 303.406 2.196 20 10 DECDRO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000865432307 687208657 /nfs/dbraw/zinc/20/86/57/687208657.db2.gz VOSHRFFDKLUBCK-AWEZNQCLSA-N 1 0 313.401 2.475 20 10 DECDRO c1cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc2c1OCC2 ZINC000865780817 687332283 /nfs/dbraw/zinc/33/22/83/687332283.db2.gz BAACAZAPEZTTRM-MRXNPFEDSA-N 1 0 303.402 2.297 20 10 DECDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000866457578 687579674 /nfs/dbraw/zinc/57/96/74/687579674.db2.gz QQNOGQKWPUSKPV-GFCCVEGCSA-N 1 0 322.430 2.135 20 10 DECDRO C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1O ZINC000868097632 687908616 /nfs/dbraw/zinc/90/86/16/687908616.db2.gz NDPGFFFVZWJJBJ-CQSZACIVSA-N 1 0 305.422 2.484 20 10 DECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)SC)C2)cc1C ZINC001018539384 688169012 /nfs/dbraw/zinc/16/90/12/688169012.db2.gz JFFMARFRNFBQPB-HIFRSBDPSA-N 1 0 322.474 2.446 20 10 DECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccon3)C2)cc1C ZINC001020009178 688441130 /nfs/dbraw/zinc/44/11/30/688441130.db2.gz WTNKULYQZCCYJA-HDJSIYSDSA-N 1 0 315.373 2.042 20 10 DECDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000870988723 688704807 /nfs/dbraw/zinc/70/48/07/688704807.db2.gz XUJGFGZDDDFKJU-PZSREKOKSA-N 1 0 306.406 2.102 20 10 DECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872201460 688950628 /nfs/dbraw/zinc/95/06/28/688950628.db2.gz BMBBUDCQXFRIFJ-MSOLQXFVSA-N 1 0 306.450 2.063 20 10 DECDRO CCC1([NH+](C)C)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000872671961 689061877 /nfs/dbraw/zinc/06/18/77/689061877.db2.gz ZKTLZKVYEYFPLT-INIZCTEOSA-N 1 0 320.433 2.124 20 10 DECDRO COCC(C)(C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873038515 689146373 /nfs/dbraw/zinc/14/63/73/689146373.db2.gz PNHADBXKKQLXRT-UHFFFAOYSA-N 1 0 303.406 2.455 20 10 DECDRO COc1ccc(C[NH2+]C[C@H](C)C[C@H](C)O)cc1Cn1cccn1 ZINC000873059542 689150966 /nfs/dbraw/zinc/15/09/66/689150966.db2.gz TVMMDQARPYMXGA-CABCVRRESA-N 1 0 317.433 2.437 20 10 DECDRO COc1ccc(C[NH2+][C@H](CO)C(C)C)cc1Cn1cccn1 ZINC000873072276 689154050 /nfs/dbraw/zinc/15/40/50/689154050.db2.gz SRPOWXJSPSSRQN-MRXNPFEDSA-N 1 0 303.406 2.047 20 10 DECDRO CCOC[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873109159 689159894 /nfs/dbraw/zinc/15/98/94/689159894.db2.gz FNVPBGZOALQBPB-AWEZNQCLSA-N 1 0 303.406 2.455 20 10 DECDRO CCCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1C ZINC000873118878 689161293 /nfs/dbraw/zinc/16/12/93/689161293.db2.gz WEGYMHINGGMGPJ-UHFFFAOYSA-N 1 0 311.447 2.451 20 10 DECDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1Cn1cccn1 ZINC000873128013 689165435 /nfs/dbraw/zinc/16/54/35/689165435.db2.gz ZRPZHUVGTXFJIP-KGLIPLIRSA-N 1 0 303.406 2.453 20 10 DECDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874348924 689391489 /nfs/dbraw/zinc/39/14/89/689391489.db2.gz HTGGPLMCLICJQL-UHFFFAOYSA-N 1 0 303.366 2.017 20 10 DECDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000876763290 689929378 /nfs/dbraw/zinc/92/93/78/689929378.db2.gz FFQYWCUYQMBTIX-LJQANCHMSA-N 1 0 316.445 2.259 20 10 DECDRO Cc1ccc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c(O)c1 ZINC000876769790 689931824 /nfs/dbraw/zinc/93/18/24/689931824.db2.gz ZVQDUKZCYVKSJH-ZDUSSCGKSA-N 1 0 305.447 2.310 20 10 DECDRO CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000876779010 689934779 /nfs/dbraw/zinc/93/47/79/689934779.db2.gz UOWHDYMSFUKQTK-IRBQFCFKSA-N 1 0 303.381 2.164 20 10 DECDRO Cc1cccc(O)c1CNc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000876864689 689957808 /nfs/dbraw/zinc/95/78/08/689957808.db2.gz PPYIGKHTJATQPE-UHFFFAOYSA-N 1 0 313.401 2.473 20 10 DECDRO Fc1cc(C[NH2+]CCC[C@@H]2CCO2)ccc1N1CCOCC1 ZINC000876945638 689979530 /nfs/dbraw/zinc/97/95/30/689979530.db2.gz HEZNEZKHUBQHFP-OAHLLOKOSA-N 1 0 308.397 2.321 20 10 DECDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876988028 689991056 /nfs/dbraw/zinc/99/10/56/689991056.db2.gz RCDJVIACPNNICL-SFHVURJKSA-N 1 0 306.450 2.144 20 10 DECDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877003390 689995340 /nfs/dbraw/zinc/99/53/40/689995340.db2.gz STPFWMRAQNFCLB-MRXNPFEDSA-N 1 0 319.493 2.468 20 10 DECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877322464 690076450 /nfs/dbraw/zinc/07/64/50/690076450.db2.gz HWPUQKLOEFEUQB-SFHVURJKSA-N 1 0 318.461 2.383 20 10 DECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877465016 690121413 /nfs/dbraw/zinc/12/14/13/690121413.db2.gz QPJOAXOKTJXUBJ-IBGZPJMESA-N 1 0 318.461 2.385 20 10 DECDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000877505792 690134243 /nfs/dbraw/zinc/13/42/43/690134243.db2.gz ZAFZIXAADAMBSV-WBVHZDCISA-N 1 0 305.418 2.358 20 10 DECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877538765 690145788 /nfs/dbraw/zinc/14/57/88/690145788.db2.gz DHCNJJWIMNFAEE-GOSISDBHSA-N 1 0 306.450 2.144 20 10 DECDRO Cc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000877565794 690153519 /nfs/dbraw/zinc/15/35/19/690153519.db2.gz QHLFJRYZBDFILY-UHFFFAOYSA-N 1 0 305.399 2.394 20 10 DECDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877579450 690157830 /nfs/dbraw/zinc/15/78/30/690157830.db2.gz YOTGLUDBXPTBTK-CALCHBBNSA-N 1 0 314.429 2.344 20 10 DECDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)OC)cc1C ZINC000877624244 690171733 /nfs/dbraw/zinc/17/17/33/690171733.db2.gz BSTMALQAKOVBGO-ZBFHGGJFSA-N 1 0 307.390 2.204 20 10 DECDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877632257 690173503 /nfs/dbraw/zinc/17/35/03/690173503.db2.gz TVHYYGBPZBMKFW-MSOLQXFVSA-N 1 0 316.445 2.041 20 10 DECDRO Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000877676257 690186867 /nfs/dbraw/zinc/18/68/67/690186867.db2.gz ZNGNGTUFSIGPIM-UHFFFAOYSA-N 1 0 310.195 2.486 20 10 DECDRO COC[C@H](C)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877708875 690199342 /nfs/dbraw/zinc/19/93/42/690199342.db2.gz YJHDTBBLOHSMES-CQSZACIVSA-N 1 0 308.422 2.108 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(c3nnnn3C)CC2)cc1Cl ZINC000877778791 690225221 /nfs/dbraw/zinc/22/52/21/690225221.db2.gz CAIJXNOBQLUXPK-UHFFFAOYSA-N 1 0 321.812 2.257 20 10 DECDRO Cc1cc(O)c(C[NH+]2CCC(c3nnnn3C)CC2)c(Cl)c1 ZINC000877781194 690225733 /nfs/dbraw/zinc/22/57/33/690225733.db2.gz VBIJQOQVOIFCTQ-UHFFFAOYSA-N 1 0 321.812 2.257 20 10 DECDRO Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1O ZINC000877784669 690227597 /nfs/dbraw/zinc/22/75/97/690227597.db2.gz JXLNMULQSKQJEB-GJZGRUSLSA-N 1 0 307.390 2.053 20 10 DECDRO OCC1(CO)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000877798503 690234639 /nfs/dbraw/zinc/23/46/39/690234639.db2.gz UTZJDUPCXROXLF-UHFFFAOYSA-N 1 0 301.386 2.112 20 10 DECDRO COc1cc(O)c(C[NH2+][C@H](C)c2nccnc2C)cc1OC ZINC000877828490 690244354 /nfs/dbraw/zinc/24/43/54/690244354.db2.gz KZRAXYQGDGIOCS-LLVKDONJSA-N 1 0 303.362 2.359 20 10 DECDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877835545 690246709 /nfs/dbraw/zinc/24/67/09/690246709.db2.gz SIVWIRGKHDWDRI-MRXNPFEDSA-N 1 0 304.434 2.116 20 10 DECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CC(C)(C)O)cc1 ZINC000877921487 690260583 /nfs/dbraw/zinc/26/05/83/690260583.db2.gz IUPMEWQLVTZWCN-KRWDZBQOSA-N 1 0 308.466 2.487 20 10 DECDRO Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000879695845 690708910 /nfs/dbraw/zinc/70/89/10/690708910.db2.gz TVPBEQGHHOWYNQ-HDICACEKSA-N 1 0 318.461 2.018 20 10 DECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC000880523505 690917862 /nfs/dbraw/zinc/91/78/62/690917862.db2.gz IIFHTQXQQAOUAK-WBVHZDCISA-N 1 0 301.434 2.243 20 10 DECDRO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931621997 694441376 /nfs/dbraw/zinc/44/13/76/694441376.db2.gz MVPNFDLYKXGNIG-OALUTQOASA-N 1 0 315.461 2.192 20 10 DECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@]12CCCO2 ZINC000883087945 691426822 /nfs/dbraw/zinc/42/68/22/691426822.db2.gz NKSHIEXIULXZMK-FMKPAKJESA-N 1 0 313.344 2.487 20 10 DECDRO CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883269195 691469283 /nfs/dbraw/zinc/46/92/83/691469283.db2.gz BHHZCVUDPNRZIF-CQSZACIVSA-N 1 0 305.374 2.325 20 10 DECDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(Cl)c1 ZINC000883296430 691475120 /nfs/dbraw/zinc/47/51/20/691475120.db2.gz MRDDAROTAIRNDB-LLVKDONJSA-N 1 0 317.838 2.411 20 10 DECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH]cc2C2CC2)cc1 ZINC000884010887 691632474 /nfs/dbraw/zinc/63/24/74/691632474.db2.gz NWNRUBSGJXWFHB-QGZVFWFLSA-N 1 0 312.417 2.388 20 10 DECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1OC ZINC000884481605 691748402 /nfs/dbraw/zinc/74/84/02/691748402.db2.gz NPOIIGKYFHPXEC-WFASDCNBSA-N 1 0 307.390 2.410 20 10 DECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C)OC)cc1C ZINC001044947593 691917769 /nfs/dbraw/zinc/91/77/69/691917769.db2.gz UXWLDHNCBWVHRA-HOCLYGCPSA-N 1 0 320.433 2.119 20 10 DECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)cc1 ZINC000885935622 691966291 /nfs/dbraw/zinc/96/62/91/691966291.db2.gz ONUDNWAPQQSUMJ-QAPCUYQASA-N 1 0 302.418 2.244 20 10 DECDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccncc3)cc2)CC1 ZINC000886325549 692056666 /nfs/dbraw/zinc/05/66/66/692056666.db2.gz JIOCZLLBHMXDKW-UHFFFAOYSA-N 1 0 324.428 2.073 20 10 DECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c([O-])cccc1F ZINC000886526210 692101969 /nfs/dbraw/zinc/10/19/69/692101969.db2.gz HMRIUWVNBTXBBL-ZIAGYGMSSA-N 1 0 321.440 2.350 20 10 DECDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H]1CCCOC1 ZINC000886788865 692191413 /nfs/dbraw/zinc/19/14/13/692191413.db2.gz KCNQWYSZAWBWJJ-IOASZLSFSA-N 1 0 309.406 2.493 20 10 DECDRO CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001048071359 692542674 /nfs/dbraw/zinc/54/26/74/692542674.db2.gz IDKRKMCPTGKBKE-YPMHNXCESA-N 1 0 317.393 2.309 20 10 DECDRO COc1ccc(O)c([C@H](C)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925750205 693334936 /nfs/dbraw/zinc/33/49/36/693334936.db2.gz DXICDBPWTVXBLY-JTQLQIEISA-N 1 0 319.430 2.435 20 10 DECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CNOC2)c1O ZINC000925870542 693357032 /nfs/dbraw/zinc/35/70/32/693357032.db2.gz XNVSVJPGDLZGEW-WPRPVWTQSA-N 1 0 301.184 2.017 20 10 DECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC3(OC)OC)C2)cc1 ZINC000926681237 693491819 /nfs/dbraw/zinc/49/18/19/693491819.db2.gz XBVAWZAMQVVKRA-BBRMVZONSA-N 1 0 306.406 2.015 20 10 DECDRO CN(C)c1ccc(CNC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)cc1 ZINC001357337870 1152290664 /nfs/dbraw/zinc/29/06/64/1152290664.db2.gz NDPKKCWMVNVEMQ-IRJFHVNHSA-N 1 0 323.440 2.428 20 10 DECDRO O=C(NCc1c(O)cccc1F)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001358167282 1152367844 /nfs/dbraw/zinc/36/78/44/1152367844.db2.gz GANJRFOQOAZVRW-MQIPJXDCSA-N 1 0 306.381 2.316 20 10 DECDRO