smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](Cc1ccccc1O)CC(OC)OC ZINC001207257038 968696828 /nfs/dbraw/zinc/69/68/28/968696828.db2.gz TYOFTFMMBVEVOM-UHFFFAOYSA-N 1 1 239.315 1.833 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H](C)N1 ZINC000201355854 983987903 /nfs/dbraw/zinc/98/79/03/983987903.db2.gz SKSZCTZKEAAKHM-PHIMTYICSA-N 1 1 219.332 1.451 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](C)N1 ZINC000201355854 983987913 /nfs/dbraw/zinc/98/79/13/983987913.db2.gz SKSZCTZKEAAKHM-PHIMTYICSA-N 1 1 219.332 1.451 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000234889959 973775491 /nfs/dbraw/zinc/77/54/91/973775491.db2.gz NTCSXYVSZNTXQR-NSHDSACASA-N 1 1 225.263 1.752 20 10 BDCDMO CC(=O)C(=O)Cn1c(C)[nH+]c2c1CCCC2 ZINC001327183679 972482122 /nfs/dbraw/zinc/48/21/22/972482122.db2.gz LGWNLVBOPZRDDX-UHFFFAOYSA-N 1 1 220.272 1.228 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001140617506 960460707 /nfs/dbraw/zinc/46/07/07/960460707.db2.gz RUXSVCZKMHJNIZ-WCQYABFASA-N 1 1 239.290 1.605 20 10 BDCDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C)ccc1O ZINC001140624323 960466221 /nfs/dbraw/zinc/46/62/21/960466221.db2.gz QRAGXLCWPBIXBM-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(C)ccc1O ZINC001140624323 960466228 /nfs/dbraw/zinc/46/62/28/960466228.db2.gz QRAGXLCWPBIXBM-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(C)ccc1O ZINC001140624323 960466230 /nfs/dbraw/zinc/46/62/30/960466230.db2.gz QRAGXLCWPBIXBM-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC001140742194 960543665 /nfs/dbraw/zinc/54/36/65/960543665.db2.gz JUGJOIKPKARFQN-NSHDSACASA-N 1 1 237.299 1.363 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001140957477 960760420 /nfs/dbraw/zinc/76/04/20/960760420.db2.gz AITWUNSENUIZIY-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001140957477 960760436 /nfs/dbraw/zinc/76/04/36/960760436.db2.gz AITWUNSENUIZIY-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC001141156873 960890998 /nfs/dbraw/zinc/89/09/98/960890998.db2.gz WBSWZCFJBGMPEB-ZYHUDNBSSA-N 1 1 241.262 1.003 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC001141156873 960891003 /nfs/dbraw/zinc/89/10/03/960891003.db2.gz WBSWZCFJBGMPEB-ZYHUDNBSSA-N 1 1 241.262 1.003 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001141156254 960893176 /nfs/dbraw/zinc/89/31/76/960893176.db2.gz IQZCOYTYWVQBOE-JQWIXIFHSA-N 1 1 241.262 1.003 20 10 BDCDMO C[N@@H+](Cc1cc(O)ccc1O)[C@H]1CCCOC1 ZINC001141163161 960902256 /nfs/dbraw/zinc/90/22/56/960902256.db2.gz SJGSZPLNYAWUMR-NSHDSACASA-N 1 1 237.299 1.709 20 10 BDCDMO CC(C)(C)c1cccc(C[NH+]2CC(O)C2)c1O ZINC001143103641 961880073 /nfs/dbraw/zinc/88/00/73/961880073.db2.gz IFWFYUFFKWAUJH-UHFFFAOYSA-N 1 1 235.327 1.866 20 10 BDCDMO CCN(Cc1ccccc1O)c1cc(N)[nH+]cn1 ZINC001154889371 962884022 /nfs/dbraw/zinc/88/40/22/962884022.db2.gz XTSRRQUXGQNGGY-UHFFFAOYSA-N 1 1 244.298 1.791 20 10 BDCDMO C[C@@]1(O)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508994 964343178 /nfs/dbraw/zinc/34/31/78/964343178.db2.gz SCDVGMYQZVBSQI-GFCCVEGCSA-N 1 1 243.253 1.627 20 10 BDCDMO C[C@@]1(O)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508994 964343192 /nfs/dbraw/zinc/34/31/92/964343192.db2.gz SCDVGMYQZVBSQI-GFCCVEGCSA-N 1 1 243.253 1.627 20 10 BDCDMO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccccc2O)C1 ZINC001203550541 966684559 /nfs/dbraw/zinc/68/45/59/966684559.db2.gz YOYRMYQIVYDFJG-PWSUYJOCSA-N 1 1 239.290 1.545 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccccc2O)CC[C@@H]1O ZINC001203550484 966685234 /nfs/dbraw/zinc/68/52/34/966685234.db2.gz VYJGEAUFQZLHCU-AAEUAGOBSA-N 1 1 235.327 1.985 20 10 BDCDMO COC(=O)CC[N@@H+](Cc1ccccc1O)C1CC1 ZINC001203561296 966687014 /nfs/dbraw/zinc/68/70/14/966687014.db2.gz PUIWLDKRBDLSHY-UHFFFAOYSA-N 1 1 249.310 1.920 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1O ZINC001203597065 966700542 /nfs/dbraw/zinc/70/05/42/966700542.db2.gz UGJVSHSSPASIEJ-GXFFZTMASA-N 1 1 249.310 1.622 20 10 BDCDMO COc1cccc(C[N@@H+]2CCCC(=O)CC2)c1O ZINC001203590368 966700983 /nfs/dbraw/zinc/70/09/83/966700983.db2.gz YLZBDOGGJLADSP-UHFFFAOYSA-N 1 1 249.310 1.956 20 10 BDCDMO COc1cccc(C[N@H+]2CCCC(=O)CC2)c1O ZINC001203590368 966700995 /nfs/dbraw/zinc/70/09/95/966700995.db2.gz YLZBDOGGJLADSP-UHFFFAOYSA-N 1 1 249.310 1.956 20 10 BDCDMO CC[N@@H+](Cc1ccc(OC)cc1O)C1COC1 ZINC001203628792 966714336 /nfs/dbraw/zinc/71/43/36/966714336.db2.gz IJWBFISXNDMASQ-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO Oc1ccc(C[NH+]2CC3(C2)CCCOC3)cc1O ZINC001203874940 966804814 /nfs/dbraw/zinc/80/48/14/966804814.db2.gz FLLLFSMIYVYXKA-UHFFFAOYSA-N 1 1 249.310 1.710 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1O ZINC001203878486 966805800 /nfs/dbraw/zinc/80/58/00/966805800.db2.gz UXVKMYYWQBXDPB-PHIMTYICSA-N 1 1 235.283 1.176 20 10 BDCDMO COCC[N@@H+](Cc1ccc(O)c(O)c1)C(C)C ZINC001203878219 966805955 /nfs/dbraw/zinc/80/59/55/966805955.db2.gz DDXKKJPMVXISFQ-UHFFFAOYSA-N 1 1 239.315 1.955 20 10 BDCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874380 966806710 /nfs/dbraw/zinc/80/67/10/966806710.db2.gz VRJTUTTUNJNSDK-LLVKDONJSA-N 1 1 237.299 1.709 20 10 BDCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203880677 966807846 /nfs/dbraw/zinc/80/78/46/966807846.db2.gz WBCXYXGONLJHKH-TXEJJXNPSA-N 1 1 248.326 1.091 20 10 BDCDMO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880981 966809148 /nfs/dbraw/zinc/80/91/48/966809148.db2.gz KPFBQBCMVXYUPC-LLVKDONJSA-N 1 1 235.283 1.509 20 10 BDCDMO C[N@@H+](Cc1ccc(O)cc1O)C1(C)COC1 ZINC001204278970 966957044 /nfs/dbraw/zinc/95/70/44/966957044.db2.gz MYUHNQNQENBZCP-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204279231 966958481 /nfs/dbraw/zinc/95/84/81/966958481.db2.gz SZCLOXURQFZWOZ-SKDRFNHKSA-N 1 1 237.299 1.443 20 10 BDCDMO Oc1ccc(C[N@H+](C2CC2)C2COC2)c(O)c1 ZINC001204278765 966959482 /nfs/dbraw/zinc/95/94/82/966959482.db2.gz JPMZSZZATOTYAA-UHFFFAOYSA-N 1 1 235.283 1.461 20 10 BDCDMO Oc1ccc(C[N@@H+](C2CC2)C2COC2)c(O)c1 ZINC001204278765 966959488 /nfs/dbraw/zinc/95/94/88/966959488.db2.gz JPMZSZZATOTYAA-UHFFFAOYSA-N 1 1 235.283 1.461 20 10 BDCDMO C[N@@H+](Cc1ccncn1)Cc1ccc(O)cc1O ZINC001204282747 966960423 /nfs/dbraw/zinc/96/04/23/966960423.db2.gz VEIJLLNEBQDFFU-UHFFFAOYSA-N 1 1 245.282 1.520 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001204281051 966961303 /nfs/dbraw/zinc/96/13/03/966961303.db2.gz OJYJUGBBTYTIFT-GXFFZTMASA-N 1 1 235.283 1.319 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340424 966974759 /nfs/dbraw/zinc/97/47/59/966974759.db2.gz QMOKRFLFUMTZEP-UHFFFAOYSA-N 1 1 241.287 1.185 20 10 BDCDMO CCC[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340271 966975798 /nfs/dbraw/zinc/97/57/98/966975798.db2.gz KHFOBFXWCOICJF-UHFFFAOYSA-N 1 1 225.288 1.948 20 10 BDCDMO COc1cc(C[NH+]2CC(C)(C)C2)cc(O)c1O ZINC001204341499 966976116 /nfs/dbraw/zinc/97/61/16/966976116.db2.gz DVRZBKONTZJJEM-UHFFFAOYSA-N 1 1 237.299 1.948 20 10 BDCDMO CN1CC[N@H+](Cc2ccc(N)cc2)C(C)(C)C1=O ZINC000094865345 967273199 /nfs/dbraw/zinc/27/31/99/967273199.db2.gz QBNAGSHPCYLJCO-UHFFFAOYSA-N 1 1 247.342 1.321 20 10 BDCDMO CN1CC[N@@H+](Cc2ccc(N)cc2)C(C)(C)C1=O ZINC000094865345 967273202 /nfs/dbraw/zinc/27/32/02/967273202.db2.gz QBNAGSHPCYLJCO-UHFFFAOYSA-N 1 1 247.342 1.321 20 10 BDCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccccc2O)C1 ZINC001205807181 967830504 /nfs/dbraw/zinc/83/05/04/967830504.db2.gz YKTFJVSHSIQQKS-AAEUAGOBSA-N 1 1 234.343 1.951 20 10 BDCDMO OC[C@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837621 967900471 /nfs/dbraw/zinc/90/04/71/967900471.db2.gz NYKUNQDAEVZWHU-VIFPVBQESA-N 1 1 225.263 1.346 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837621 967900479 /nfs/dbraw/zinc/90/04/79/967900479.db2.gz NYKUNQDAEVZWHU-VIFPVBQESA-N 1 1 225.263 1.346 20 10 BDCDMO Oc1cccc2c1C[N@@H+](C[C@H]1CCCO1)CC2 ZINC001207887401 968914786 /nfs/dbraw/zinc/91/47/86/968914786.db2.gz HZTTZDIDTFYWLB-GFCCVEGCSA-N 1 1 233.311 1.929 20 10 BDCDMO Cc1nc2c(ccn2C)c(C2=CCC[N@@H+](C)C2)n1 ZINC001241567358 969057396 /nfs/dbraw/zinc/05/73/96/969057396.db2.gz YBJUOPMWCZUNCD-UHFFFAOYSA-N 1 1 242.326 1.996 20 10 BDCDMO Nc1ccc(NCc2ccc(O)c(O)c2)c[nH+]1 ZINC001169995295 969973283 /nfs/dbraw/zinc/97/32/83/969973283.db2.gz XVYYXCDDDYHWSO-UHFFFAOYSA-N 1 1 231.255 1.687 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](C)CCO)cc1 ZINC001256009891 970606976 /nfs/dbraw/zinc/60/69/76/970606976.db2.gz NDAHKMDARSLYBA-UHFFFAOYSA-N 1 1 222.332 1.567 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC001327723196 972712234 /nfs/dbraw/zinc/71/22/34/972712234.db2.gz YGMNNWQFWHMNCP-CYBMUJFWSA-N 1 1 247.338 1.911 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144520532 972853515 /nfs/dbraw/zinc/85/35/15/972853515.db2.gz TXJAUNNSLQZAJD-QMMMGPOBSA-N 1 1 239.271 1.024 20 10 BDCDMO CCOc1ccc(N2CC3(CC[N@H+]3C)C2)cc1 ZINC001276926804 973308567 /nfs/dbraw/zinc/30/85/67/973308567.db2.gz YFTOOYVPTLIOSN-UHFFFAOYSA-N 1 1 232.327 1.980 20 10 BDCDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC000044412655 973749457 /nfs/dbraw/zinc/74/94/57/973749457.db2.gz HNLIEAHBPDJHED-CYBMUJFWSA-N 1 1 247.342 1.369 20 10 BDCDMO Nc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206196909 975129693 /nfs/dbraw/zinc/12/96/93/975129693.db2.gz DZWBEFBNWIVIRZ-QWHCGFSZSA-N 1 1 237.322 1.530 20 10 BDCDMO Nc1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206196909 975129711 /nfs/dbraw/zinc/12/97/11/975129711.db2.gz DZWBEFBNWIVIRZ-QWHCGFSZSA-N 1 1 237.322 1.530 20 10 BDCDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccc(N)cc2)CCN1C ZINC001334754801 976623285 /nfs/dbraw/zinc/62/32/85/976623285.db2.gz RQPQKKMVWMTCRB-RYUDHWBXSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N)cc1 ZINC001334754801 976623289 /nfs/dbraw/zinc/62/32/89/976623289.db2.gz RQPQKKMVWMTCRB-RYUDHWBXSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N)cc1 ZINC001334754801 976623295 /nfs/dbraw/zinc/62/32/95/976623295.db2.gz RQPQKKMVWMTCRB-RYUDHWBXSA-N 1 1 233.359 1.793 20 10 BDCDMO CC[N@@H+](Cc1cccc(C)c1O)C1CN(C)C1 ZINC001231595191 977641991 /nfs/dbraw/zinc/64/19/91/977641991.db2.gz UNSAJUSCAFCEIG-UHFFFAOYSA-N 1 1 234.343 1.837 20 10 BDCDMO CC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC001231594476 977644297 /nfs/dbraw/zinc/64/42/97/977644297.db2.gz FZVFSNPRCVTYSC-CYBMUJFWSA-N 1 1 249.310 1.490 20 10 BDCDMO CC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC001231594476 977644308 /nfs/dbraw/zinc/64/43/08/977644308.db2.gz FZVFSNPRCVTYSC-CYBMUJFWSA-N 1 1 249.310 1.490 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001231843279 977765725 /nfs/dbraw/zinc/76/57/25/977765725.db2.gz UKFUJULTKHZKIC-WCQYABFASA-N 1 1 239.290 1.524 20 10 BDCDMO CC(C)C[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233009874 978409738 /nfs/dbraw/zinc/40/97/38/978409738.db2.gz FEPBCRMSWAATML-UHFFFAOYSA-N 1 1 225.288 1.891 20 10 BDCDMO Nc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC001337838768 978522679 /nfs/dbraw/zinc/52/26/79/978522679.db2.gz SYURHIBVAHDHMI-GFCCVEGCSA-N 1 1 218.300 1.226 20 10 BDCDMO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1CO ZINC001233332552 978569558 /nfs/dbraw/zinc/56/95/58/978569558.db2.gz PBVLIIGYNWYPQT-MRVPVSSYSA-N 1 1 243.253 1.627 20 10 BDCDMO OC[C@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233332552 978569561 /nfs/dbraw/zinc/56/95/61/978569561.db2.gz PBVLIIGYNWYPQT-MRVPVSSYSA-N 1 1 243.253 1.627 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233332552 978569566 /nfs/dbraw/zinc/56/95/66/978569566.db2.gz PBVLIIGYNWYPQT-MRVPVSSYSA-N 1 1 243.253 1.627 20 10 BDCDMO Cc1ccc(C)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235991339 979278414 /nfs/dbraw/zinc/27/84/14/979278414.db2.gz LLSZNTFLXKXEBW-SWLSCSKDSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)c1O ZINC001235991339 979278425 /nfs/dbraw/zinc/27/84/25/979278425.db2.gz LLSZNTFLXKXEBW-SWLSCSKDSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)c1O ZINC001235991339 979278439 /nfs/dbraw/zinc/27/84/39/979278439.db2.gz LLSZNTFLXKXEBW-SWLSCSKDSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236246466 979467090 /nfs/dbraw/zinc/46/70/90/979467090.db2.gz CPTRCSBZGXOFNX-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236246466 979467096 /nfs/dbraw/zinc/46/70/96/979467096.db2.gz CPTRCSBZGXOFNX-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)[NH3+] ZINC001236280176 979481102 /nfs/dbraw/zinc/48/11/02/979481102.db2.gz UQAVCRXKFOOPOL-GFCCVEGCSA-N 1 1 235.375 1.922 20 10 BDCDMO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560522 979758365 /nfs/dbraw/zinc/75/83/65/979758365.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001237485757 979908858 /nfs/dbraw/zinc/90/88/58/979908858.db2.gz SCFRDHLDCSOCRC-CMPLNLGQSA-N 1 1 225.263 1.215 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](C)(CO)C1 ZINC001237486121 979909194 /nfs/dbraw/zinc/90/91/94/979909194.db2.gz VWZLRBIOSPURIO-CQSZACIVSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1CO ZINC001237484872 979911284 /nfs/dbraw/zinc/91/12/84/979911284.db2.gz JFYQMRCHCCMSHF-LLVKDONJSA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001237486888 979917647 /nfs/dbraw/zinc/91/76/47/979917647.db2.gz DLUPGEGEPBSHEB-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001237486888 979917654 /nfs/dbraw/zinc/91/76/54/979917654.db2.gz DLUPGEGEPBSHEB-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO CCCC[C@H](C[NH3+])NCc1ccc(N)cc1 ZINC001352790088 982579847 /nfs/dbraw/zinc/57/98/47/982579847.db2.gz OJPUTUXKBCYLOT-CYBMUJFWSA-N 1 1 221.348 1.876 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1 ZINC001352790013 982582747 /nfs/dbraw/zinc/58/27/47/982582747.db2.gz MYIQYAKGQVXBPE-CQSZACIVSA-N 1 1 246.310 1.550 20 10 BDCDMO Nc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1 ZINC001352790013 982582755 /nfs/dbraw/zinc/58/27/55/982582755.db2.gz MYIQYAKGQVXBPE-CQSZACIVSA-N 1 1 246.310 1.550 20 10 BDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(O)c(O)c1 ZINC001203884201 982595718 /nfs/dbraw/zinc/59/57/18/982595718.db2.gz TWDVTGJQSSTOJP-RYUDHWBXSA-N 1 1 248.326 1.376 20 10 BDCDMO CN(C)c1ccc(CN2CC3(CC[N@H+]3C)C2)cc1 ZINC001275833244 984684790 /nfs/dbraw/zinc/68/47/90/984684790.db2.gz DSNHXARSXJEADO-UHFFFAOYSA-N 1 1 245.370 1.643 20 10 BDCDMO CN(C)c1ccc(C[NH+]2CC3(CCN3C)C2)cc1 ZINC001275833244 984684803 /nfs/dbraw/zinc/68/48/03/984684803.db2.gz DSNHXARSXJEADO-UHFFFAOYSA-N 1 1 245.370 1.643 20 10 BDCDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001461956485 986243800 /nfs/dbraw/zinc/24/38/00/986243800.db2.gz RWRSCXNNVZHUCR-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@@H](O)CC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001461956485 986243813 /nfs/dbraw/zinc/24/38/13/986243813.db2.gz RWRSCXNNVZHUCR-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001461956485 986243826 /nfs/dbraw/zinc/24/38/26/986243826.db2.gz RWRSCXNNVZHUCR-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO OC/C=C\C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462417434 986380947 /nfs/dbraw/zinc/38/09/47/986380947.db2.gz HBJLZIIVYFJODX-UPHRSURJSA-N 1 1 229.226 1.309 20 10 BDCDMO Cc1c[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000693484757 987310852 /nfs/dbraw/zinc/31/08/52/987310852.db2.gz FUQCDPJWNHUMRR-UHFFFAOYSA-N 1 1 243.310 1.943 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H](O)C1 ZINC001137831491 990853596 /nfs/dbraw/zinc/85/35/96/990853596.db2.gz BRAYZDMYSAEQKK-VIFPVBQESA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001137831491 990853602 /nfs/dbraw/zinc/85/36/02/990853602.db2.gz BRAYZDMYSAEQKK-VIFPVBQESA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1c(F)cccc1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001138130940 990886170 /nfs/dbraw/zinc/88/61/70/990886170.db2.gz LYYWSJHBSDIOBA-LLVKDONJSA-N 1 1 236.290 1.421 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC001308878948 991194272 /nfs/dbraw/zinc/19/42/72/991194272.db2.gz ODYQUPPXLBFHQB-ZKCHVHJHSA-N 1 1 229.226 1.283 20 10 BDCDMO C[N@@H+](Cc1cccnn1)Cc1ccccc1O ZINC001139971713 991443264 /nfs/dbraw/zinc/44/32/64/991443264.db2.gz JZAYADUYCSZJFD-UHFFFAOYSA-N 1 1 229.283 1.814 20 10 BDCDMO C[N@H+](Cc1ccccc1O)Cc1nccnc1N ZINC001140012988 991486060 /nfs/dbraw/zinc/48/60/60/991486060.db2.gz VVUZBPDZZDNGBW-UHFFFAOYSA-N 1 1 244.298 1.396 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)Cc1nccnc1N ZINC001140012988 991486064 /nfs/dbraw/zinc/48/60/64/991486064.db2.gz VVUZBPDZZDNGBW-UHFFFAOYSA-N 1 1 244.298 1.396 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC001140178499 991548849 /nfs/dbraw/zinc/54/88/49/991548849.db2.gz MSRAMTZLLIYLOR-AAEUAGOBSA-N 1 1 235.327 1.822 20 10 BDCDMO C[N@H+](Cc1cc(F)c(F)cc1O)CC(C)(C)O ZINC001560692698 991554525 /nfs/dbraw/zinc/55/45/25/991554525.db2.gz ZFEOAUYLLGZSNM-UHFFFAOYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)CC(C)(C)O ZINC001560692698 991554537 /nfs/dbraw/zinc/55/45/37/991554537.db2.gz ZFEOAUYLLGZSNM-UHFFFAOYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463228 991644686 /nfs/dbraw/zinc/64/46/86/991644686.db2.gz WNUDPAWNKQJWCS-UFBFGSQYSA-N 1 1 241.718 1.858 20 10 BDCDMO Nc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001336286500 994998907 /nfs/dbraw/zinc/99/89/07/994998907.db2.gz QZZQPUFJFLKQLD-GXTWGEPZSA-N 1 1 231.343 1.453 20 10 BDCDMO Oc1c(F)cccc1C[NH+]1CCC(O)CC1 ZINC000272220546 187335585 /nfs/dbraw/zinc/33/55/85/187335585.db2.gz BWXREELMYXSGTO-UHFFFAOYSA-N 1 1 225.263 1.488 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC000272378027 187336216 /nfs/dbraw/zinc/33/62/16/187336216.db2.gz HIESWTNHJVMHHW-ZWNOBZJWSA-N 1 1 221.300 1.595 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC000180050822 179077555 /nfs/dbraw/zinc/07/75/55/179077555.db2.gz CSPONZYIOGSALT-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(C[N@H+]2CCNC(=O)C2(C)C)c1O ZINC000180050822 179077557 /nfs/dbraw/zinc/07/75/57/179077557.db2.gz CSPONZYIOGSALT-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@H](CO)C2)c1O ZINC000271841932 179077903 /nfs/dbraw/zinc/07/79/03/179077903.db2.gz TYWXWDHTQIGACN-LBPRGKRZSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1O ZINC000162807545 179080612 /nfs/dbraw/zinc/08/06/12/179080612.db2.gz XAMAMVMHGJJHTN-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO CC1(C)C[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC000280482203 351846499 /nfs/dbraw/zinc/84/64/99/351846499.db2.gz OCUNZFHKZINSDQ-GFCCVEGCSA-N 1 1 221.300 1.595 20 10 BDCDMO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000272292792 188026370 /nfs/dbraw/zinc/02/63/70/188026370.db2.gz OHCRMMVYPFWPRO-JTQLQIEISA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](O)C1 ZINC000272292792 188026372 /nfs/dbraw/zinc/02/63/72/188026372.db2.gz OHCRMMVYPFWPRO-JTQLQIEISA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372360485 183275070 /nfs/dbraw/zinc/27/50/70/183275070.db2.gz WXZXLBDSPNJPIS-LBPRGKRZSA-N 1 1 237.274 1.488 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCN2CCC1CC2 ZINC000377702729 183301456 /nfs/dbraw/zinc/30/14/56/183301456.db2.gz UTMFHFBZVRRGEJ-UHFFFAOYSA-N 1 1 232.327 1.672 20 10 BDCDMO Oc1ccccc1CN1CC[NH+]2CCC1CC2 ZINC000377702729 183301458 /nfs/dbraw/zinc/30/14/58/183301458.db2.gz UTMFHFBZVRRGEJ-UHFFFAOYSA-N 1 1 232.327 1.672 20 10 BDCDMO CN(C)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362680 383971572 /nfs/dbraw/zinc/97/15/72/383971572.db2.gz VHZXPNRFXMWFDW-UHFFFAOYSA-N 1 1 234.343 1.663 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)CC(=O)NC2CC2)c1 ZINC000120365267 384349278 /nfs/dbraw/zinc/34/92/78/384349278.db2.gz HRVZHKUYOVJIAK-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000160245636 384397442 /nfs/dbraw/zinc/39/74/42/384397442.db2.gz HKHIOTQIMHLIIO-UHFFFAOYSA-N 1 1 225.288 1.861 20 10 BDCDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000130820481 385287932 /nfs/dbraw/zinc/28/79/32/385287932.db2.gz JCJRTEGZBHURBL-LLVKDONJSA-N 1 1 222.332 1.565 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179569584 385474621 /nfs/dbraw/zinc/47/46/21/385474621.db2.gz GGLCHVFBJMYZOX-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179569584 385474625 /nfs/dbraw/zinc/47/46/25/385474625.db2.gz GGLCHVFBJMYZOX-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO CC[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000229964464 385694162 /nfs/dbraw/zinc/69/41/62/385694162.db2.gz FMWBNHUDXHVKFK-SCZZXKLOSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC000272236622 385885785 /nfs/dbraw/zinc/88/57/85/385885785.db2.gz ACBQUIQOPLKFSW-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC000272236622 385885788 /nfs/dbraw/zinc/88/57/88/385885788.db2.gz ACBQUIQOPLKFSW-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO Cc1nc(CC[N@H+](C)Cc2ccccc2O)no1 ZINC000272317246 385893731 /nfs/dbraw/zinc/89/37/31/385893731.db2.gz STRPMJGWVUOFRK-UHFFFAOYSA-N 1 1 247.298 1.758 20 10 BDCDMO Cc1ccc(O)c(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245843686 386607391 /nfs/dbraw/zinc/60/73/91/386607391.db2.gz BTBDRZHFCNFPQU-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCN3CCC[C@H]3C2)c1 ZINC000245843686 386607397 /nfs/dbraw/zinc/60/73/97/386607397.db2.gz BTBDRZHFCNFPQU-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN3CCC[C@H]3C2)c1 ZINC000245843686 386607400 /nfs/dbraw/zinc/60/74/00/386607400.db2.gz BTBDRZHFCNFPQU-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367786568 387751280 /nfs/dbraw/zinc/75/12/80/387751280.db2.gz YLBZAGHQPZDHSA-FICVDOATSA-N 1 1 246.354 1.423 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1O)C[C@H]1CCOC1 ZINC000272474951 389030787 /nfs/dbraw/zinc/03/07/87/389030787.db2.gz SCGPDPDZYHHWMY-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1O)C[C@H]1CCOC1 ZINC000272474951 389030782 /nfs/dbraw/zinc/03/07/82/389030782.db2.gz SCGPDPDZYHHWMY-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO COC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000179946246 397854532 /nfs/dbraw/zinc/85/45/32/397854532.db2.gz XPYAMPIHHQYYAI-VIFPVBQESA-N 1 1 227.279 1.998 20 10 BDCDMO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000128263307 167995924 /nfs/dbraw/zinc/99/59/24/167995924.db2.gz GUXGBOGDRUOHRG-WDEREUQCSA-N 1 1 239.290 1.780 20 10 BDCDMO CCOCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000156089449 170389968 /nfs/dbraw/zinc/38/99/68/170389968.db2.gz PBLBPMPPFUEHRX-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO CN(CC[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000019730738 172740148 /nfs/dbraw/zinc/74/01/48/172740148.db2.gz WPVZTXPFONVQJF-UHFFFAOYSA-N 1 1 235.331 1.037 20 10 BDCDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000133592127 173298504 /nfs/dbraw/zinc/29/85/04/173298504.db2.gz PYGOEHZCAVGMLU-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000179585201 173301078 /nfs/dbraw/zinc/30/10/78/173301078.db2.gz QQYHCLCNLLIRGF-SNVBAGLBSA-N 1 1 236.315 1.206 20 10 BDCDMO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748173 173303720 /nfs/dbraw/zinc/30/37/20/173303720.db2.gz FKZFUTRGCJQRDI-SFYZADRCSA-N 1 1 240.278 1.316 20 10 BDCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2O)C1 ZINC000228099606 173308871 /nfs/dbraw/zinc/30/88/71/173308871.db2.gz XNAHWMJRMPYMGI-CQSZACIVSA-N 1 1 248.326 1.350 20 10 BDCDMO COCCC[N@@H+](C)Cc1ccccc1O ZINC000096477927 174217728 /nfs/dbraw/zinc/21/77/28/174217728.db2.gz AZKYQBDAGWENAW-UHFFFAOYSA-N 1 1 209.289 1.861 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)CCF)c1 ZINC000293690271 175158110 /nfs/dbraw/zinc/15/81/10/175158110.db2.gz QNOTWTBEUQRHAC-UHFFFAOYSA-N 1 1 213.252 1.802 20 10 BDCDMO COc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC000131952112 175260283 /nfs/dbraw/zinc/26/02/83/175260283.db2.gz JKARMGCLPXXGNV-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(C[N@H+]2CCO[C@H](C)C2)c1O ZINC000131952112 175260284 /nfs/dbraw/zinc/26/02/84/175260284.db2.gz JKARMGCLPXXGNV-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)[C@@H]1CO ZINC000276698738 177166120 /nfs/dbraw/zinc/16/61/20/177166120.db2.gz DVEGQJLXCCQCET-JOYOIKCWSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@@H]1CO ZINC000276698738 177166121 /nfs/dbraw/zinc/16/61/21/177166121.db2.gz DVEGQJLXCCQCET-JOYOIKCWSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccccc1O ZINC000290144725 177325443 /nfs/dbraw/zinc/32/54/43/177325443.db2.gz KPMDALLQQACRHE-RYUDHWBXSA-N 1 1 235.327 1.985 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000373513713 490142299 /nfs/dbraw/zinc/14/22/99/490142299.db2.gz DAOVGGNPFGABTI-AWEZNQCLSA-N 1 1 246.354 1.709 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@H](F)[C@H](N)C2)c1O ZINC000853248765 588729221 /nfs/dbraw/zinc/72/92/21/588729221.db2.gz YTDXKCVKICQMJO-VXGBXAGGSA-N 1 1 238.306 1.572 20 10 BDCDMO Cc1cccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1O ZINC000853248765 588729222 /nfs/dbraw/zinc/72/92/22/588729222.db2.gz YTDXKCVKICQMJO-VXGBXAGGSA-N 1 1 238.306 1.572 20 10 BDCDMO CNC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000854232471 588781631 /nfs/dbraw/zinc/78/16/31/588781631.db2.gz QUBXYVCTTFBWAG-MWLCHTKSSA-N 1 1 220.316 1.577 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c1O ZINC000814173158 583342408 /nfs/dbraw/zinc/34/24/08/583342408.db2.gz HDIXITNLYCAHNU-JSGCOSHPSA-N 1 1 246.354 1.837 20 10 BDCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCOC1 ZINC000896637916 583819572 /nfs/dbraw/zinc/81/95/72/583819572.db2.gz RIDWVJKOKLRVCZ-MRVPVSSYSA-N 1 1 211.236 1.410 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)NC2)c1 ZINC000863484854 583992322 /nfs/dbraw/zinc/99/23/22/583992322.db2.gz NYUXJVCBLDKPRW-DGCLKSJQSA-N 1 1 234.343 1.931 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000897681308 584039373 /nfs/dbraw/zinc/03/93/73/584039373.db2.gz QTPLAMHWUUHTPT-UFBFGSQYSA-N 1 1 225.263 1.344 20 10 BDCDMO CC[N@@H+](CCC(=O)NC)Cc1ccccc1O ZINC000897709337 584042424 /nfs/dbraw/zinc/04/24/24/584042424.db2.gz AZLFPZLPUXKLPX-UHFFFAOYSA-N 1 1 236.315 1.350 20 10 BDCDMO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)c1ccc(N)cc1 ZINC000903771503 584798715 /nfs/dbraw/zinc/79/87/15/584798715.db2.gz WFIUOQAYXKDLFD-GXFFZTMASA-N 1 1 248.326 1.904 20 10 BDCDMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)c1ccc(N)cc1 ZINC000903771503 584798717 /nfs/dbraw/zinc/79/87/17/584798717.db2.gz WFIUOQAYXKDLFD-GXFFZTMASA-N 1 1 248.326 1.904 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)C1CC(O)C1 ZINC000761223228 585412490 /nfs/dbraw/zinc/41/24/90/585412490.db2.gz NPGFESQJKIMPAD-UHFFFAOYSA-N 1 1 237.299 1.356 20 10 BDCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768439915 585538271 /nfs/dbraw/zinc/53/82/71/585538271.db2.gz ACURHDAIXZJSGT-LBPRGKRZSA-N 1 1 235.283 1.412 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@](C)(O)C1 ZINC000769541440 585559124 /nfs/dbraw/zinc/55/91/24/585559124.db2.gz BFILHFLJJYUQEH-CYBMUJFWSA-N 1 1 237.299 1.358 20 10 BDCDMO COC(=O)C(C)(C)[N@H+](C)Cc1ccccc1O ZINC000770510839 585575321 /nfs/dbraw/zinc/57/53/21/585575321.db2.gz RNINLMIMCYFBBG-UHFFFAOYSA-N 1 1 237.299 1.776 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)c1O ZINC000775743466 585683716 /nfs/dbraw/zinc/68/37/16/585683716.db2.gz HJNQWLAAMDLIKG-LLVKDONJSA-N 1 1 234.299 1.021 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@H](C)CN1C ZINC000775987318 585688796 /nfs/dbraw/zinc/68/87/96/585688796.db2.gz VKSQXHBMKHJWEF-VXGBXAGGSA-N 1 1 234.343 1.917 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000783733183 585841116 /nfs/dbraw/zinc/84/11/16/585841116.db2.gz KLBPXCHXPPUHGY-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c1 ZINC000783733183 585841117 /nfs/dbraw/zinc/84/11/17/585841117.db2.gz KLBPXCHXPPUHGY-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788270956 585920652 /nfs/dbraw/zinc/92/06/52/585920652.db2.gz XPABBELVVIWMFU-MWLCHTKSSA-N 1 1 237.299 1.356 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)CCCO ZINC000799738951 586195448 /nfs/dbraw/zinc/19/54/48/586195448.db2.gz DBRHTOSDSOOBKH-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCOCC12CC2 ZINC000802658447 586308529 /nfs/dbraw/zinc/30/85/29/586308529.db2.gz BEIPIBVMDFMZFF-UHFFFAOYSA-N 1 1 219.284 1.757 20 10 BDCDMO C[C@H](CO)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809744948 586516496 /nfs/dbraw/zinc/51/64/96/586516496.db2.gz AGZCASJPHUNKRM-SSDOTTSWSA-N 1 1 247.697 1.997 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809744948 586516497 /nfs/dbraw/zinc/51/64/97/586516497.db2.gz AGZCASJPHUNKRM-SSDOTTSWSA-N 1 1 247.697 1.997 20 10 BDCDMO COc1cccc(C[NH2+]Cc2nonc2C)c1O ZINC000809743950 586516878 /nfs/dbraw/zinc/51/68/78/586516878.db2.gz NYTVGODVVPEHJY-UHFFFAOYSA-N 1 1 249.270 1.382 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1c(O)cccc1OC ZINC000816637178 586746407 /nfs/dbraw/zinc/74/64/07/586746407.db2.gz VRAPMELJBWHFLD-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO CC[C@H](NCC[NH3+])c1ccc(N(C)C)cc1 ZINC000817934249 586843370 /nfs/dbraw/zinc/84/33/70/586843370.db2.gz DWIHTKAOLIIZTG-ZDUSSCGKSA-N 1 1 221.348 1.752 20 10 BDCDMO C[C@H]([NH2+]CCNC1CC1)c1ccccc1O ZINC000817953726 586848755 /nfs/dbraw/zinc/84/87/55/586848755.db2.gz PSSRKVNLRZYDJQ-JTQLQIEISA-N 1 1 220.316 1.795 20 10 BDCDMO C[C@@H]([NH2+]CCNC1CC1)c1ccccc1O ZINC000817953727 586849289 /nfs/dbraw/zinc/84/92/89/586849289.db2.gz PSSRKVNLRZYDJQ-SNVBAGLBSA-N 1 1 220.316 1.795 20 10 BDCDMO CC[C@H]([NH2+]C1CNC1)c1ccc(C)cc1O ZINC000817955498 586849798 /nfs/dbraw/zinc/84/97/98/586849798.db2.gz CKKVYTRFLFOVGM-LBPRGKRZSA-N 1 1 220.316 1.713 20 10 BDCDMO CC[C@H]([NH2+]C1CNC1)c1ccccc1O ZINC000817955698 586849757 /nfs/dbraw/zinc/84/97/57/586849757.db2.gz FQJQJHBOIYXGHV-NSHDSACASA-N 1 1 206.289 1.405 20 10 BDCDMO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1O ZINC000817964729 586854152 /nfs/dbraw/zinc/85/41/52/586854152.db2.gz GJAJFKWPQPJNHI-SKDRFNHKSA-N 1 1 220.316 1.780 20 10 BDCDMO C[C@H](NCC(F)(F)C[NH3+])c1ccccc1O ZINC000817966521 586854818 /nfs/dbraw/zinc/85/48/18/586854818.db2.gz PNRQVOGZQXZJIO-QMMMGPOBSA-N 1 1 230.258 1.637 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000822503538 587172236 /nfs/dbraw/zinc/17/22/36/587172236.db2.gz IHDMSOBNOVJUNS-NXEZZACHSA-N 1 1 245.681 1.798 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1O ZINC000824533275 587273862 /nfs/dbraw/zinc/27/38/62/587273862.db2.gz COGCNRULADXUIM-LLVKDONJSA-N 1 1 227.279 1.734 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1 ZINC000825311807 587314053 /nfs/dbraw/zinc/31/40/53/587314053.db2.gz OIZZMTGOYZLWEJ-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827289875 587375419 /nfs/dbraw/zinc/37/54/19/587375419.db2.gz DOAIPLUTUUVMRJ-SMDDNHRTSA-N 1 1 249.310 1.358 20 10 BDCDMO CNCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000841037320 587935044 /nfs/dbraw/zinc/93/50/44/587935044.db2.gz YJJALRUMJRSOLK-UHFFFAOYSA-N 1 1 208.305 1.318 20 10 BDCDMO C[NH2+]CCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000841041916 587938761 /nfs/dbraw/zinc/93/87/61/587938761.db2.gz KDHVRDZDSWWZKV-GQCTYLIASA-N 1 1 247.386 1.965 20 10 BDCDMO Cc1cccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841079112 587944723 /nfs/dbraw/zinc/94/47/23/587944723.db2.gz YOWSSFFFZDFMEK-GDNZZTSVSA-N 1 1 218.300 1.008 20 10 BDCDMO C[C@H](C[NH3+])N(C)Cc1c(O)ccc(Cl)c1F ZINC000843053182 588077300 /nfs/dbraw/zinc/07/73/00/588077300.db2.gz YYDLQDPBHQJDMF-SSDOTTSWSA-N 1 1 246.713 1.964 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](C)NC[C@@H]2C)c1O ZINC000843120113 588083611 /nfs/dbraw/zinc/08/36/11/588083611.db2.gz XVAXHMUNUWWCIZ-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H](C)NC[C@@H]2C)c1O ZINC000843120113 588083613 /nfs/dbraw/zinc/08/36/13/588083613.db2.gz XVAXHMUNUWWCIZ-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](C)NC[C@@H]2C)c1O ZINC000843120111 588084017 /nfs/dbraw/zinc/08/40/17/588084017.db2.gz XVAXHMUNUWWCIZ-NEPJUHHUSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)NC[C@@H]2C)c1O ZINC000843120111 588084020 /nfs/dbraw/zinc/08/40/20/588084020.db2.gz XVAXHMUNUWWCIZ-NEPJUHHUSA-N 1 1 234.343 1.883 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443675 589214105 /nfs/dbraw/zinc/21/41/05/589214105.db2.gz RVIZNYFHMHLQDA-AOOOYVTPSA-N 1 1 207.248 1.983 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443675 589214107 /nfs/dbraw/zinc/21/41/07/589214107.db2.gz RVIZNYFHMHLQDA-AOOOYVTPSA-N 1 1 207.248 1.983 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000862546114 589219851 /nfs/dbraw/zinc/21/98/51/589219851.db2.gz GYVLWTFVJMTNGS-VXGBXAGGSA-N 1 1 247.294 1.305 20 10 BDCDMO CC[C@@H]1[C@@H](C(=O)Nc2ccc(N)cc2)CC[N@H+]1C ZINC000876504321 590203975 /nfs/dbraw/zinc/20/39/75/590203975.db2.gz MUBPDLHSMRZWNM-QWHCGFSZSA-N 1 1 247.342 1.938 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC000876528125 590209263 /nfs/dbraw/zinc/20/92/63/590209263.db2.gz PXCUDPZUZNUCQR-GFCCVEGCSA-N 1 1 221.300 1.657 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000876686041 590230130 /nfs/dbraw/zinc/23/01/30/590230130.db2.gz NRPMTUJUZYKKJV-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876686041 590230132 /nfs/dbraw/zinc/23/01/32/590230132.db2.gz NRPMTUJUZYKKJV-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[N@H+](CC(=O)OC)Cc1ccc(C)cc1O ZINC000876685931 590230557 /nfs/dbraw/zinc/23/05/57/590230557.db2.gz MYBJTZFWGXPYAH-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CC[N@@H+](CC(=O)OC)Cc1ccc(C)cc1O ZINC000876685931 590230558 /nfs/dbraw/zinc/23/05/58/590230558.db2.gz MYBJTZFWGXPYAH-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CC[C@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1O ZINC000876814351 590245692 /nfs/dbraw/zinc/24/56/92/590245692.db2.gz DZQCRRINBWYFHW-FZMZJTMJSA-N 1 1 235.327 1.903 20 10 BDCDMO CCN1CC[N@H+](Cc2ccc(C)cc2O)CC1=O ZINC000877338312 590317610 /nfs/dbraw/zinc/31/76/10/590317610.db2.gz CCBUWAAIYKAMSP-UHFFFAOYSA-N 1 1 248.326 1.365 20 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CC(C)[N@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000128552531 591119676 /nfs/dbraw/zinc/11/96/76/591119676.db2.gz BBALSPDLIZQGGQ-LLVKDONJSA-N 1 1 223.316 1.983 20 10 BDCDMO COCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134906262 591957651 /nfs/dbraw/zinc/95/76/51/591957651.db2.gz LBKBDFFXJBTQTI-ZETCQYMHSA-N 1 1 231.242 1.967 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1c(O)cccc1F ZINC000886543169 592255491 /nfs/dbraw/zinc/25/54/91/592255491.db2.gz LIVPPSBYLVVUBP-JGVFFNPUSA-N 1 1 240.278 1.446 20 10 BDCDMO C[C@H]([NH2+][C@H]1CCOC1)c1c(O)cccc1F ZINC000886554748 592259390 /nfs/dbraw/zinc/25/93/90/592259390.db2.gz BICCFANHUVTQOJ-IUCAKERBSA-N 1 1 225.263 1.971 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1c(O)cccc1F ZINC000886629575 592281417 /nfs/dbraw/zinc/28/14/17/592281417.db2.gz IRTIBOZLBGKLHA-FXBDTBDDSA-N 1 1 225.263 1.705 20 10 BDCDMO C[C@H]([NH2+][C@H](CO)CCF)c1c(O)cccc1F ZINC000886632760 592283404 /nfs/dbraw/zinc/28/34/04/592283404.db2.gz DFWJNPMHJRFDEQ-IUCAKERBSA-N 1 1 245.269 1.902 20 10 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20 10 BDCDMO CCc1ccc(C[NH+]2CC(C)(O)C2)c(O)c1 ZINC001236784407 979734561 /nfs/dbraw/zinc/73/45/61/979734561.db2.gz WMIKYCCZZMLBQM-UHFFFAOYSA-N 1 1 221.300 1.521 20 10 BDCDMO CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001236792304 979739774 /nfs/dbraw/zinc/73/97/74/979739774.db2.gz OHSBQZKZMIUUCR-KBPBESRZSA-N 1 1 246.354 1.843 20 10 BDCDMO CCc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(O)c1 ZINC001236792304 979739782 /nfs/dbraw/zinc/73/97/82/979739782.db2.gz OHSBQZKZMIUUCR-KBPBESRZSA-N 1 1 246.354 1.843 20 10 BDCDMO CCc1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(O)c1 ZINC001236792304 979739791 /nfs/dbraw/zinc/73/97/91/979739791.db2.gz OHSBQZKZMIUUCR-KBPBESRZSA-N 1 1 246.354 1.843 20 10 BDCDMO C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001236904874 979791839 /nfs/dbraw/zinc/79/18/39/979791839.db2.gz SYDSOYYDEMZFHR-ZETCQYMHSA-N 1 1 230.258 1.449 20 10 BDCDMO C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001236904874 979791852 /nfs/dbraw/zinc/79/18/52/979791852.db2.gz SYDSOYYDEMZFHR-ZETCQYMHSA-N 1 1 230.258 1.449 20 10 BDCDMO COc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001203584508 979971556 /nfs/dbraw/zinc/97/15/56/979971556.db2.gz CJZUQQPVHWNFSN-JTQLQIEISA-N 1 1 249.310 1.812 20 10 BDCDMO COc1cccc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001203584508 979971560 /nfs/dbraw/zinc/97/15/60/979971560.db2.gz CJZUQQPVHWNFSN-JTQLQIEISA-N 1 1 249.310 1.812 20 10 BDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874527 982553675 /nfs/dbraw/zinc/55/36/75/982553675.db2.gz ADFHCLCCQQTOBB-ZDUSSCGKSA-N 1 1 237.299 1.302 20 10 BDCDMO Oc1cccc2c1C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC001202512933 983838580 /nfs/dbraw/zinc/83/85/80/983838580.db2.gz LOBXRAVYOXCLDB-NSHDSACASA-N 1 1 233.311 1.787 20 10 BDCDMO C[C@H]1[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1C ZINC000719395496 984653324 /nfs/dbraw/zinc/65/33/24/984653324.db2.gz KHRXGWGWYQJBFU-GWCFXTLKSA-N 1 1 247.342 1.020 20 10 BDCDMO C[N@H+]1CCC2(CN(Cc3ccc(O)cc3O)C2)C1 ZINC001275949590 984735904 /nfs/dbraw/zinc/73/59/04/984735904.db2.gz HYULVNZHDIVBDL-UHFFFAOYSA-N 1 1 248.326 1.235 20 10 BDCDMO Cc1cccc(CN2CC3(C2)CC[N@H+](C)C3)c1O ZINC001276079696 984811856 /nfs/dbraw/zinc/81/18/56/984811856.db2.gz DOCFFFPSIFYNLD-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO Cc1cccc(C[NH+]2CC3(C2)CCN(C)C3)c1O ZINC001276079696 984811858 /nfs/dbraw/zinc/81/18/58/984811858.db2.gz DOCFFFPSIFYNLD-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c(O)c1 ZINC001276168114 984823440 /nfs/dbraw/zinc/82/34/40/984823440.db2.gz AWRLNNWKURSKGE-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c(O)c1 ZINC001276168114 984823443 /nfs/dbraw/zinc/82/34/43/984823443.db2.gz AWRLNNWKURSKGE-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)c(O)c1 ZINC001276168114 984823445 /nfs/dbraw/zinc/82/34/45/984823445.db2.gz AWRLNNWKURSKGE-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000692161735 985637875 /nfs/dbraw/zinc/63/78/75/985637875.db2.gz QPMROOJYOUYADP-GXTWGEPZSA-N 1 1 247.386 1.983 20 10 BDCDMO Cc1ccc(C[NH2+][C@@H]2CCCN[C@@H]2C)c(O)c1 ZINC001579697142 986185709 /nfs/dbraw/zinc/18/57/09/986185709.db2.gz YWUGELWOHCTIQD-DGCLKSJQSA-N 1 1 234.343 1.931 20 10 BDCDMO C[N@@H+](CCCO)Cc1ccc(Cl)cc1O ZINC001462151441 986297579 /nfs/dbraw/zinc/29/75/79/986297579.db2.gz RNFZHXULTYUADQ-UHFFFAOYSA-N 1 1 229.707 1.860 20 10 BDCDMO Cc1cc(C)c(C[NH2+][C@@H]2CCCNC2)c(O)c1 ZINC001246341617 987751889 /nfs/dbraw/zinc/75/18/89/987751889.db2.gz BEZQVAISZTZMDI-GFCCVEGCSA-N 1 1 234.343 1.851 20 10 BDCDMO C[NH2+][C@@H](C)CCNCc1ccc2c(c1)CCO2 ZINC001325625394 989221783 /nfs/dbraw/zinc/22/17/83/989221783.db2.gz JZNPWNBSMWUIEQ-NSHDSACASA-N 1 1 234.343 1.709 20 10 BDCDMO COCC1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137831586 990852994 /nfs/dbraw/zinc/85/29/94/990852994.db2.gz GNWKTXKYOMHFGT-UHFFFAOYSA-N 1 1 225.263 1.610 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CCCC[C@H](O)C1 ZINC001137833016 990855165 /nfs/dbraw/zinc/85/51/65/990855165.db2.gz PUJGVXIGIHZWEH-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CCCC[C@H](O)C1 ZINC001137833016 990855167 /nfs/dbraw/zinc/85/51/67/990855167.db2.gz PUJGVXIGIHZWEH-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@]1(O)CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837400 990856216 /nfs/dbraw/zinc/85/62/16/990856216.db2.gz FPGBTWPHXADAER-CYBMUJFWSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@]1(O)CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837400 990856217 /nfs/dbraw/zinc/85/62/17/990856217.db2.gz FPGBTWPHXADAER-CYBMUJFWSA-N 1 1 239.290 1.878 20 10 BDCDMO OCC1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137833080 990857635 /nfs/dbraw/zinc/85/76/35/990857635.db2.gz RUNAYZGGRHFNDX-UHFFFAOYSA-N 1 1 239.290 1.736 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1O ZINC001138123774 990886338 /nfs/dbraw/zinc/88/63/38/990886338.db2.gz LDYNZELRUFXMNO-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC001138123774 990886341 /nfs/dbraw/zinc/88/63/41/990886341.db2.gz LDYNZELRUFXMNO-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC001138123774 990886342 /nfs/dbraw/zinc/88/63/42/990886342.db2.gz LDYNZELRUFXMNO-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001138123754 990887853 /nfs/dbraw/zinc/88/78/53/990887853.db2.gz KGSZPAPFCBYRNR-VXGBXAGGSA-N 1 1 237.274 1.895 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001138123754 990887855 /nfs/dbraw/zinc/88/78/55/990887855.db2.gz KGSZPAPFCBYRNR-VXGBXAGGSA-N 1 1 237.274 1.895 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001138123754 990887856 /nfs/dbraw/zinc/88/78/56/990887856.db2.gz KGSZPAPFCBYRNR-VXGBXAGGSA-N 1 1 237.274 1.895 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000162084874 990948042 /nfs/dbraw/zinc/94/80/42/990948042.db2.gz RVHCLRGPQLPCAZ-GFCCVEGCSA-N 1 1 248.326 1.540 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463227 991643431 /nfs/dbraw/zinc/64/34/31/991643431.db2.gz WNUDPAWNKQJWCS-QPUJVOFHSA-N 1 1 241.718 1.858 20 10 BDCDMO CCC[C@H]1CNCC[N@@H+]1Cc1ccc(N)cc1 ZINC001262487302 992894124 /nfs/dbraw/zinc/89/41/24/992894124.db2.gz QAOHMUOIJAZARY-AWEZNQCLSA-N 1 1 233.359 1.843 20 10 BDCDMO CCC[C@H]1CNCC[N@H+]1Cc1ccc(N)cc1 ZINC001262487302 992894128 /nfs/dbraw/zinc/89/41/28/992894128.db2.gz QAOHMUOIJAZARY-AWEZNQCLSA-N 1 1 233.359 1.843 20 10 BDCDMO CCC[NH2+]CCNCc1cc(F)cc(F)c1O ZINC001577559769 993681206 /nfs/dbraw/zinc/68/12/06/993681206.db2.gz QKIBNILUWXALBO-UHFFFAOYSA-N 1 1 244.285 1.760 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000700557517 993842096 /nfs/dbraw/zinc/84/20/96/993842096.db2.gz TUJODHAJRXAALH-CYBMUJFWSA-N 1 1 238.306 1.829 20 10 BDCDMO Nc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000700557517 993842101 /nfs/dbraw/zinc/84/21/01/993842101.db2.gz TUJODHAJRXAALH-CYBMUJFWSA-N 1 1 238.306 1.829 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CO)C2)cc1C ZINC000092763683 178195666 /nfs/dbraw/zinc/19/56/66/178195666.db2.gz HJMOCFLFBFEXLT-GFCCVEGCSA-N 1 1 235.327 1.823 20 10 BDCDMO Cc1cc(O)c(CN(C)Cc2nnc[nH]2)cc1C ZINC000179793066 178196333 /nfs/dbraw/zinc/19/63/33/178196333.db2.gz DAORWFZMQRQPSQ-UHFFFAOYSA-N 1 1 246.314 1.759 20 10 BDCDMO C[N@H+](Cc1cc[nH]n1)Cc1ccccc1O ZINC000091974709 398304227 /nfs/dbraw/zinc/30/42/27/398304227.db2.gz YZFZTOIKONKLFK-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1O ZINC000091974709 398304229 /nfs/dbraw/zinc/30/42/29/398304229.db2.gz YZFZTOIKONKLFK-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO CC(=O)C(=O)Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000295687249 187363287 /nfs/dbraw/zinc/36/32/87/187363287.db2.gz CYHHUPMIIZHHTP-DTWKUNHWSA-N 1 1 234.299 1.412 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H](N(C)C)C2)c1O ZINC000160235485 179082904 /nfs/dbraw/zinc/08/29/04/179082904.db2.gz WLDCADRONSLBQZ-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000160235485 179082905 /nfs/dbraw/zinc/08/29/05/179082905.db2.gz WLDCADRONSLBQZ-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000280452562 179084279 /nfs/dbraw/zinc/08/42/79/179084279.db2.gz LJJSUQYJCXZHGC-GFCCVEGCSA-N 1 1 235.327 1.903 20 10 BDCDMO CC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CCNC1=O ZINC000281785889 351910437 /nfs/dbraw/zinc/91/04/37/351910437.db2.gz NOHVFFSXBWNYPE-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)CO ZINC000293621725 353758354 /nfs/dbraw/zinc/75/83/54/353758354.db2.gz KVNIHMUVAAKQAL-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000127231461 183153449 /nfs/dbraw/zinc/15/34/49/183153449.db2.gz MKLXNWCWQYGZLM-VIFPVBQESA-N 1 1 241.718 1.860 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000179935539 183275601 /nfs/dbraw/zinc/27/56/01/183275601.db2.gz XZLVKRIVURVDPU-JTQLQIEISA-N 1 1 211.236 1.098 20 10 BDCDMO Oc1ccccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375289621 183301426 /nfs/dbraw/zinc/30/14/26/183301426.db2.gz XEWGMMQNRVEDAC-GFCCVEGCSA-N 1 1 219.284 1.349 20 10 BDCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCOC1=O ZINC000076074459 169179931 /nfs/dbraw/zinc/17/99/31/169179931.db2.gz TVXNBXNKAUNTTF-GFCCVEGCSA-N 1 1 249.310 1.920 20 10 BDCDMO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccccc1O ZINC000121144808 384401705 /nfs/dbraw/zinc/40/17/05/384401705.db2.gz IAXFCPAQNYBALF-JTQLQIEISA-N 1 1 236.315 1.301 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000111235622 384582007 /nfs/dbraw/zinc/58/20/07/384582007.db2.gz FQXUJVDNVKZTOZ-NSHDSACASA-N 1 1 221.300 1.861 20 10 BDCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCO)c1O ZINC000050134640 384596489 /nfs/dbraw/zinc/59/64/89/384596489.db2.gz MWAOFBNDFYDAII-UHFFFAOYSA-N 1 1 241.262 1.158 20 10 BDCDMO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000083218834 384751092 /nfs/dbraw/zinc/75/10/92/384751092.db2.gz KEVIVFIWRQBOCL-IUCAKERBSA-N 1 1 227.279 1.810 20 10 BDCDMO CC(C)(O)C1C[NH+](Cc2cccc(F)c2O)C1 ZINC000297414459 384809089 /nfs/dbraw/zinc/80/90/89/384809089.db2.gz MVEYEOGZXOPNRY-UHFFFAOYSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H](C[NH2+]Cc1cccc(F)c1O)N(C)C ZINC000165154962 385072762 /nfs/dbraw/zinc/07/27/62/385072762.db2.gz PYTYNNJUKYMFAV-VIFPVBQESA-N 1 1 226.295 1.571 20 10 BDCDMO CC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000128446000 385038092 /nfs/dbraw/zinc/03/80/92/385038092.db2.gz NIHQGOKRKFNXTA-NSHDSACASA-N 1 1 209.289 1.595 20 10 BDCDMO CC[N@H+](CCOC)Cc1cccc(F)c1O ZINC000165416882 385122805 /nfs/dbraw/zinc/12/28/05/385122805.db2.gz LPAZQRGZTONJLE-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO CC[N@@H+](CCOC)Cc1cccc(F)c1O ZINC000165416882 385122811 /nfs/dbraw/zinc/12/28/11/385122811.db2.gz LPAZQRGZTONJLE-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062745811 385187282 /nfs/dbraw/zinc/18/72/82/385187282.db2.gz XANCXORUHDNVIG-HTQZYQBOSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1O ZINC000185225798 385724642 /nfs/dbraw/zinc/72/46/42/385724642.db2.gz ZTYJFTVAIDKKCO-QLJPJBMISA-N 1 1 241.356 1.591 20 10 BDCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272522730 385909361 /nfs/dbraw/zinc/90/93/61/385909361.db2.gz LLUSNCXLJKZVMF-TZMCWYRMSA-N 1 1 248.370 1.955 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272527173 385911831 /nfs/dbraw/zinc/91/18/31/385911831.db2.gz ZACLSGSUDJFUBU-LBPRGKRZSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@]1(O)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272527173 385911833 /nfs/dbraw/zinc/91/18/33/385911833.db2.gz ZACLSGSUDJFUBU-LBPRGKRZSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272527173 385911837 /nfs/dbraw/zinc/91/18/37/385911837.db2.gz ZACLSGSUDJFUBU-LBPRGKRZSA-N 1 1 225.263 1.488 20 10 BDCDMO C[N@@H+](CCCCO)Cc1ccccc1O ZINC000264620677 386253933 /nfs/dbraw/zinc/25/39/33/386253933.db2.gz QZGWIBKFDAHXHR-UHFFFAOYSA-N 1 1 209.289 1.597 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295121622 386690606 /nfs/dbraw/zinc/69/06/06/386690606.db2.gz XKYGWRHTVCFKBH-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295121622 386690613 /nfs/dbraw/zinc/69/06/13/386690613.db2.gz XKYGWRHTVCFKBH-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO OC[C@H]1[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC000259468672 135142816 /nfs/dbraw/zinc/14/28/16/135142816.db2.gz WNLKYSGLGFBSLT-GDNZZTSVSA-N 1 1 219.284 1.062 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000272355104 171087810 /nfs/dbraw/zinc/08/78/10/171087810.db2.gz DQWGERXUKJTDKS-NOZJJQNGSA-N 1 1 239.290 1.734 20 10 BDCDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000133594092 173299146 /nfs/dbraw/zinc/29/91/46/173299146.db2.gz ZLBSFRZYZLEGIK-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO C[NH2+]C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000071142079 173370585 /nfs/dbraw/zinc/37/05/85/173370585.db2.gz FDAVQGSQLYYLQZ-AWEZNQCLSA-N 1 1 247.386 1.794 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000179665511 175157602 /nfs/dbraw/zinc/15/76/02/175157602.db2.gz OXUWXHSZPZDCII-LLVKDONJSA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)N1C ZINC000141909518 177266185 /nfs/dbraw/zinc/26/61/85/177266185.db2.gz JBUKOHRSIQKNEB-TXEJJXNPSA-N 1 1 234.343 1.917 20 10 BDCDMO CCn1ncc(C[NH2+]Cc2cccc(C)c2O)n1 ZINC000529640582 324369633 /nfs/dbraw/zinc/36/96/33/324369633.db2.gz VNLIOMQIWLZPNQ-UHFFFAOYSA-N 1 1 246.314 1.602 20 10 BDCDMO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O ZINC000854231721 583083049 /nfs/dbraw/zinc/08/30/49/583083049.db2.gz KSAWDYFCXHIHRK-SFYZADRCSA-N 1 1 244.285 1.929 20 10 BDCDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1O ZINC000840979159 583214638 /nfs/dbraw/zinc/21/46/38/583214638.db2.gz RXQNGRDCNFIACW-AAEUAGOBSA-N 1 1 235.327 1.985 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000814172970 583342892 /nfs/dbraw/zinc/34/28/92/583342892.db2.gz DSNRVZHRZRPGMR-TZMCWYRMSA-N 1 1 246.354 1.837 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788269447 583600222 /nfs/dbraw/zinc/60/02/22/583600222.db2.gz NRVMJFHJCGSIIE-GXSJLCMTSA-N 1 1 237.299 1.356 20 10 BDCDMO C[N@H+](Cc1cc(F)cc(F)c1O)C1(CO)CC1 ZINC000895354827 583657565 /nfs/dbraw/zinc/65/75/65/583657565.db2.gz SNYSRWGOFFIRPW-UHFFFAOYSA-N 1 1 243.253 1.627 20 10 BDCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C1(CO)CC1 ZINC000895354827 583657568 /nfs/dbraw/zinc/65/75/68/583657568.db2.gz SNYSRWGOFFIRPW-UHFFFAOYSA-N 1 1 243.253 1.627 20 10 BDCDMO CO[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000895961830 583751144 /nfs/dbraw/zinc/75/11/44/583751144.db2.gz FNGBSBHYXDYFGZ-CYBMUJFWSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000895961830 583751145 /nfs/dbraw/zinc/75/11/45/583751145.db2.gz FNGBSBHYXDYFGZ-CYBMUJFWSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000895968591 583755017 /nfs/dbraw/zinc/75/50/17/583755017.db2.gz DPEFHLMSTUJIBK-LBPRGKRZSA-N 1 1 223.272 1.197 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000895968591 583755022 /nfs/dbraw/zinc/75/50/22/583755022.db2.gz DPEFHLMSTUJIBK-LBPRGKRZSA-N 1 1 223.272 1.197 20 10 BDCDMO Cn1cnc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000788018966 583894380 /nfs/dbraw/zinc/89/43/80/583894380.db2.gz IFCJPCJPRXYPPV-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO Cn1cnc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000788018966 583894383 /nfs/dbraw/zinc/89/43/83/583894383.db2.gz IFCJPCJPRXYPPV-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1O ZINC000897675626 584035193 /nfs/dbraw/zinc/03/51/93/584035193.db2.gz AXLIZIICRFTAPO-CPCISQLKSA-N 1 1 243.253 1.483 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1O ZINC000897675626 584035194 /nfs/dbraw/zinc/03/51/94/584035194.db2.gz AXLIZIICRFTAPO-CPCISQLKSA-N 1 1 243.253 1.483 20 10 BDCDMO CCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897680527 584038356 /nfs/dbraw/zinc/03/83/56/584038356.db2.gz SGAMOMRIGLTCBV-GWCFXTLKSA-N 1 1 235.327 1.767 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897681626 584038890 /nfs/dbraw/zinc/03/88/90/584038890.db2.gz XSTYFWGMVUACMM-ZYHUDNBSSA-N 1 1 221.300 1.513 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1O ZINC000898187311 584094461 /nfs/dbraw/zinc/09/44/61/584094461.db2.gz JIEZVDVICFGOMV-RYUDHWBXSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000841048927 584124110 /nfs/dbraw/zinc/12/41/10/584124110.db2.gz GWACTEOHJBZDMK-GFCCVEGCSA-N 1 1 220.316 1.528 20 10 BDCDMO Cc1ccc(O)c(CNC[C@@H]([NH3+])C2CC2)c1 ZINC000841048927 584124112 /nfs/dbraw/zinc/12/41/12/584124112.db2.gz GWACTEOHJBZDMK-GFCCVEGCSA-N 1 1 220.316 1.528 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2C)c1 ZINC000841059553 584126226 /nfs/dbraw/zinc/12/62/26/584126226.db2.gz UJYDYXAGSDGXKZ-WCQYABFASA-N 1 1 234.343 1.788 20 10 BDCDMO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N)CC2)c1 ZINC000902408160 584574582 /nfs/dbraw/zinc/57/45/82/584574582.db2.gz XHPHONPOFUZVBG-JTQLQIEISA-N 1 1 220.316 1.843 20 10 BDCDMO COc1ccc(O)c([C@H](C)[NH2+]CC2(N)CC2)c1 ZINC000902407835 584575015 /nfs/dbraw/zinc/57/50/15/584575015.db2.gz VZBBZOTZZDNNTM-VIFPVBQESA-N 1 1 236.315 1.543 20 10 BDCDMO OC[C@H]1CC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000902630400 584647135 /nfs/dbraw/zinc/64/71/35/584647135.db2.gz AUARUIYIWYVZFK-CQSZACIVSA-N 1 1 247.338 1.838 20 10 BDCDMO C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000903964322 584834037 /nfs/dbraw/zinc/83/40/37/584834037.db2.gz MVDDOGZICHXVSI-LDYMZIIASA-N 1 1 240.734 1.743 20 10 BDCDMO CCn1nncc1C[N@H+](C)Cc1ccccc1O ZINC000838895513 585079172 /nfs/dbraw/zinc/07/91/72/585079172.db2.gz NUQDSQRIVFTRDC-UHFFFAOYSA-N 1 1 246.314 1.636 20 10 BDCDMO CCn1nncc1C[N@@H+](C)Cc1ccccc1O ZINC000838895513 585079173 /nfs/dbraw/zinc/07/91/73/585079173.db2.gz NUQDSQRIVFTRDC-UHFFFAOYSA-N 1 1 246.314 1.636 20 10 BDCDMO COc1cccc(O)c1C[NH+]1CC(C)(OC)C1 ZINC000839102106 585090985 /nfs/dbraw/zinc/09/09/85/585090985.db2.gz JWLKFQKYGFRRNR-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO CCOc1cccc(C[NH+]2CC(OC)C2)c1O ZINC000839128687 585093770 /nfs/dbraw/zinc/09/37/70/585093770.db2.gz SBUTUEIZLVQVHE-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000768441246 585538359 /nfs/dbraw/zinc/53/83/59/585538359.db2.gz XQEPJLJMTJEKHX-UHFFFAOYSA-N 1 1 239.315 1.787 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)CC[C@H](C)O ZINC000769450856 585557129 /nfs/dbraw/zinc/55/71/29/585557129.db2.gz IDSNAQBHRRIXIT-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO COc1cccc(O)c1CN1CC[NH+](C)CC1 ZINC000771926013 585604535 /nfs/dbraw/zinc/60/45/35/585604535.db2.gz FRWPPGCDDCQFSI-UHFFFAOYSA-N 1 1 236.315 1.148 20 10 BDCDMO CCOc1ccc(C[NH+]2CCOCC2)c(O)c1 ZINC000771927139 585604631 /nfs/dbraw/zinc/60/46/31/585604631.db2.gz GAYVEGNMODDTMD-UHFFFAOYSA-N 1 1 237.299 1.623 20 10 BDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000775650110 585682532 /nfs/dbraw/zinc/68/25/32/585682532.db2.gz QMLKHIDDJJWNIM-LBPRGKRZSA-N 1 1 249.310 1.696 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000785765155 585880044 /nfs/dbraw/zinc/88/00/44/585880044.db2.gz SLHXKDRMSNCWFD-FZMZJTMJSA-N 1 1 234.343 1.565 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788266907 585920227 /nfs/dbraw/zinc/92/02/27/585920227.db2.gz CXUXWLXMQHACHS-PWSUYJOCSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1C ZINC000788271151 585920749 /nfs/dbraw/zinc/92/07/49/585920749.db2.gz ZFINUBFKVCKIBR-YPMHNXCESA-N 1 1 235.327 1.964 20 10 BDCDMO CCn1ncnc1C[NH2+]Cc1cc(C)ccc1O ZINC000793345537 586017365 /nfs/dbraw/zinc/01/73/65/586017365.db2.gz DHMUFLJQVJGVOV-UHFFFAOYSA-N 1 1 246.314 1.602 20 10 BDCDMO CC[N@@H+](CCOCCO)Cc1ccccc1O ZINC000800532781 586224092 /nfs/dbraw/zinc/22/40/92/586224092.db2.gz WUJPLYDBBLAGNA-UHFFFAOYSA-N 1 1 239.315 1.223 20 10 BDCDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccccc1O ZINC000812778125 586584204 /nfs/dbraw/zinc/58/42/04/586584204.db2.gz CCSQXMAZSCDBIR-GFCCVEGCSA-N 1 1 221.300 1.737 20 10 BDCDMO Cc1cc(CN2CC[NH+](C)CC2)ccc1N(C)C ZINC000815013954 586664201 /nfs/dbraw/zinc/66/42/01/586664201.db2.gz SPMJWZCECQTSQH-UHFFFAOYSA-N 1 1 247.386 1.808 20 10 BDCDMO C[C@@H](NC1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817937526 586843880 /nfs/dbraw/zinc/84/38/80/586843880.db2.gz XHVOKUADSBDDCM-SECBINFHSA-N 1 1 238.306 1.934 20 10 BDCDMO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CCN1C ZINC000817956275 586849656 /nfs/dbraw/zinc/84/96/56/586849656.db2.gz VNRNFJXPDVJFOF-WFASDCNBSA-N 1 1 247.386 1.884 20 10 BDCDMO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1O ZINC000817964728 586854194 /nfs/dbraw/zinc/85/41/94/586854194.db2.gz GJAJFKWPQPJNHI-JOYOIKCWSA-N 1 1 220.316 1.780 20 10 BDCDMO C[C@H](N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817971823 586859794 /nfs/dbraw/zinc/85/97/94/586859794.db2.gz HJPICKYIAZJNQD-WCBMZHEXSA-N 1 1 206.289 1.316 20 10 BDCDMO C[C@@H](CO)C[N@@H+](C)Cc1ccccc1O ZINC000121397383 587593536 /nfs/dbraw/zinc/59/35/36/587593536.db2.gz WJBFVMRUTRUOMD-SNVBAGLBSA-N 1 1 209.289 1.452 20 10 BDCDMO Cc1cc(O)c(C[N@@H+](C)CCO)c(Cl)c1 ZINC000840908596 587929651 /nfs/dbraw/zinc/92/96/51/587929651.db2.gz UKOTXWSFRXIYOO-UHFFFAOYSA-N 1 1 229.707 1.778 20 10 BDCDMO COc1ccc(C[NH2+][C@H](CN)C2CC2)cc1C ZINC000841027385 587936015 /nfs/dbraw/zinc/93/60/15/587936015.db2.gz AOKURCHYOSPRMF-CYBMUJFWSA-N 1 1 234.343 1.831 20 10 BDCDMO Cc1ccc(O)c(CNC[C@@H]([NH3+])C(C)C)c1 ZINC000841028846 587936477 /nfs/dbraw/zinc/93/64/77/587936477.db2.gz IRVHKVMZHXTWIN-GFCCVEGCSA-N 1 1 222.332 1.774 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]C[C@@H](N)C(C)C)c1 ZINC000841028846 587936479 /nfs/dbraw/zinc/93/64/79/587936479.db2.gz IRVHKVMZHXTWIN-GFCCVEGCSA-N 1 1 222.332 1.774 20 10 BDCDMO Cc1cccc(C[NH2+]C[C@@H](N)C2CC2)c1O ZINC000841050779 587940069 /nfs/dbraw/zinc/94/00/69/587940069.db2.gz UDEPHFAEERMYHW-GFCCVEGCSA-N 1 1 220.316 1.528 20 10 BDCDMO Cc1cccc(CNC[C@@H]([NH3+])C2CC2)c1O ZINC000841050779 587940072 /nfs/dbraw/zinc/94/00/72/587940072.db2.gz UDEPHFAEERMYHW-GFCCVEGCSA-N 1 1 220.316 1.528 20 10 BDCDMO Cc1cccc(CNCC(F)(F)C[NH3+])c1O ZINC000841060377 587941217 /nfs/dbraw/zinc/94/12/17/587941217.db2.gz XHJIJXDZBJHXBT-UHFFFAOYSA-N 1 1 230.258 1.384 20 10 BDCDMO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](C)N)cc1C ZINC000841076217 587944058 /nfs/dbraw/zinc/94/40/58/587944058.db2.gz CFHDZYPTDWVHOG-WDEREUQCSA-N 1 1 222.332 1.834 20 10 BDCDMO Cc1cc(O)c(CN[C@H](C)[C@H](C)[NH3+])cc1C ZINC000841076217 587944060 /nfs/dbraw/zinc/94/40/60/587944060.db2.gz CFHDZYPTDWVHOG-WDEREUQCSA-N 1 1 222.332 1.834 20 10 BDCDMO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](C)N)cc1C ZINC000841076215 587944155 /nfs/dbraw/zinc/94/41/55/587944155.db2.gz CFHDZYPTDWVHOG-MNOVXSKESA-N 1 1 222.332 1.834 20 10 BDCDMO Cc1cc(O)c(CN[C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000841076215 587944157 /nfs/dbraw/zinc/94/41/57/587944157.db2.gz CFHDZYPTDWVHOG-MNOVXSKESA-N 1 1 222.332 1.834 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H]2CCCCNC2)c1 ZINC000841091404 587946290 /nfs/dbraw/zinc/94/62/90/587946290.db2.gz XCHSDJQCGVSVBZ-ZDUSSCGKSA-N 1 1 234.343 1.932 20 10 BDCDMO [NH3+][C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843046832 588075686 /nfs/dbraw/zinc/07/56/86/588075686.db2.gz DZBJHNDGBSPLKC-ZETCQYMHSA-N 1 1 244.697 1.718 20 10 BDCDMO Oc1c(Cl)cccc1CN1CCC[NH2+]CC1 ZINC000843044756 588075709 /nfs/dbraw/zinc/07/57/09/588075709.db2.gz IDWSFAZGLFJYDC-UHFFFAOYSA-N 1 1 240.734 1.841 20 10 BDCDMO C[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1O ZINC000843047452 588076082 /nfs/dbraw/zinc/07/60/82/588076082.db2.gz MMXFQRNZLQQXIQ-VIFPVBQESA-N 1 1 240.734 1.839 20 10 BDCDMO CCn1ncc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000845989525 588252550 /nfs/dbraw/zinc/25/25/50/588252550.db2.gz JATQKVNTKVMQQR-JTQLQIEISA-N 1 1 246.314 1.854 20 10 BDCDMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1O ZINC000846103682 588256627 /nfs/dbraw/zinc/25/66/27/588256627.db2.gz UZFILLPVXABESS-MMPTUQATSA-N 1 1 237.324 1.097 20 10 BDCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1O ZINC000846103681 588256647 /nfs/dbraw/zinc/25/66/47/588256647.db2.gz UZFILLPVXABESS-XMZIXOGTSA-N 1 1 237.324 1.097 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000846111439 588257384 /nfs/dbraw/zinc/25/73/84/588257384.db2.gz OZYXHNRNKZCPFQ-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000846701862 588283716 /nfs/dbraw/zinc/28/37/16/588283716.db2.gz DUANCMORAXKYFR-ONGXEEELSA-N 1 1 238.306 1.843 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@@H](O)C2)c1O ZINC000848881550 588415979 /nfs/dbraw/zinc/41/59/79/588415979.db2.gz QTVREAYXXJBDCP-GFCCVEGCSA-N 1 1 221.300 1.521 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@H](CO)C2)c1O ZINC000848886136 588416615 /nfs/dbraw/zinc/41/66/15/588416615.db2.gz TWAVOVCSVUHBQF-NSHDSACASA-N 1 1 235.327 1.769 20 10 BDCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2ncnn21 ZINC000850351400 588538149 /nfs/dbraw/zinc/53/81/49/588538149.db2.gz BBDIJANFLKHPJE-GXSJLCMTSA-N 1 1 244.298 1.779 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862444135 589213761 /nfs/dbraw/zinc/21/37/61/589213761.db2.gz YIYXIXXHYZJRPP-DTORHVGOSA-N 1 1 207.248 1.983 20 10 BDCDMO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000862756308 589237637 /nfs/dbraw/zinc/23/76/37/589237637.db2.gz VOIMTTYOYIFHHE-NSHDSACASA-N 1 1 248.326 1.269 20 10 BDCDMO Cc1nonc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000872135297 589878379 /nfs/dbraw/zinc/87/83/79/589878379.db2.gz DYSWCPKLFRMTQJ-JTQLQIEISA-N 1 1 245.282 1.861 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCNC(=O)C2)c1 ZINC000872825389 589972457 /nfs/dbraw/zinc/97/24/57/589972457.db2.gz JWXKQLGKONXKDU-UHFFFAOYSA-N 1 1 248.326 1.331 20 10 BDCDMO Nc1ccc(CCNCC23CC(C2)C[NH2+]3)cc1 ZINC000873211254 589996425 /nfs/dbraw/zinc/99/64/25/589996425.db2.gz WZTGVNNCQRHRLK-UHFFFAOYSA-N 1 1 231.343 1.153 20 10 BDCDMO CCNC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC000124559509 590050793 /nfs/dbraw/zinc/05/07/93/590050793.db2.gz ZZWJMOBNWRWBDS-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](CO)C2)c(O)c1 ZINC000876659835 590227174 /nfs/dbraw/zinc/22/71/74/590227174.db2.gz HISFNTPZNJYKRH-NSHDSACASA-N 1 1 221.300 1.515 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@H]1CCOC1 ZINC000876690655 590231003 /nfs/dbraw/zinc/23/10/03/590231003.db2.gz OYQBIPIMSWKCPM-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](C)(O)C1 ZINC000876791704 590241902 /nfs/dbraw/zinc/24/19/02/590241902.db2.gz PAHHCSASPJDCGK-CYBMUJFWSA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1cccc(O)c1C[NH2+]Cc1ccon1 ZINC000877075774 590278585 /nfs/dbraw/zinc/27/85/85/590278585.db2.gz HECVSSUQIXTWGM-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c(O)c1 ZINC000877501972 590342111 /nfs/dbraw/zinc/34/21/11/590342111.db2.gz XFIPJWYSCWBMCK-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c(O)c1 ZINC000877501972 590342113 /nfs/dbraw/zinc/34/21/13/590342113.db2.gz XFIPJWYSCWBMCK-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H](C)CO ZINC000877526809 590347895 /nfs/dbraw/zinc/34/78/95/590347895.db2.gz LVNQDWKNJBSOKW-JTQLQIEISA-N 1 1 209.289 1.513 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000877567112 590362056 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ZINC001235991337 979276763 /nfs/dbraw/zinc/27/67/63/979276763.db2.gz LLSZNTFLXKXEBW-DOMZBBRYSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@]3(N)C2)c1O ZINC001235991337 979276779 /nfs/dbraw/zinc/27/67/79/979276779.db2.gz LLSZNTFLXKXEBW-DOMZBBRYSA-N 1 1 246.354 1.932 20 10 BDCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N)cc1 ZINC001236133115 979403353 /nfs/dbraw/zinc/40/33/53/979403353.db2.gz QAOHMUOIJAZARY-CQSZACIVSA-N 1 1 233.359 1.843 20 10 BDCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N)cc1 ZINC001236133115 979403359 /nfs/dbraw/zinc/40/33/59/979403359.db2.gz QAOHMUOIJAZARY-CQSZACIVSA-N 1 1 233.359 1.843 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](N)C1 ZINC001236173514 979430762 /nfs/dbraw/zinc/43/07/62/979430762.db2.gz KLBMSCVLJGBOTD-JTQLQIEISA-N 1 1 206.289 1.234 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](N)C1 ZINC001236173514 979430771 /nfs/dbraw/zinc/43/07/71/979430771.db2.gz KLBMSCVLJGBOTD-JTQLQIEISA-N 1 1 206.289 1.234 20 10 BDCDMO CCc1ccc(C[N@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001236787749 979728657 /nfs/dbraw/zinc/72/86/57/979728657.db2.gz KSSOAMWUEIWJOW-AWEZNQCLSA-N 1 1 246.354 1.845 20 10 BDCDMO CCc1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001236787749 979728670 /nfs/dbraw/zinc/72/86/70/979728670.db2.gz KSSOAMWUEIWJOW-AWEZNQCLSA-N 1 1 246.354 1.845 20 10 BDCDMO CCc1ccc(CN2CC[N@H+]3CC[C@H]3C2)c(O)c1 ZINC001236787749 979728682 /nfs/dbraw/zinc/72/86/82/979728682.db2.gz KSSOAMWUEIWJOW-AWEZNQCLSA-N 1 1 246.354 1.845 20 10 BDCDMO CCc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001236794878 979737361 /nfs/dbraw/zinc/73/73/61/979737361.db2.gz QSRBSGANZZZSJB-BETUJISGSA-N 1 1 233.311 1.928 20 10 BDCDMO CCc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001236794878 979737370 /nfs/dbraw/zinc/73/73/70/979737370.db2.gz QSRBSGANZZZSJB-BETUJISGSA-N 1 1 233.311 1.928 20 10 BDCDMO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560525 979757800 /nfs/dbraw/zinc/75/78/00/979757800.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 1 1 246.354 1.918 20 10 BDCDMO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001237042454 979808007 /nfs/dbraw/zinc/80/80/07/979808007.db2.gz VXPZXFHEGIVRBJ-AAEUAGOBSA-N 1 1 249.310 1.764 20 10 BDCDMO CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001237042454 979808011 /nfs/dbraw/zinc/80/80/11/979808011.db2.gz VXPZXFHEGIVRBJ-AAEUAGOBSA-N 1 1 249.310 1.764 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(C)C1 ZINC001237488998 979916248 /nfs/dbraw/zinc/91/62/48/979916248.db2.gz BJNPUDWVWOEOCD-GFCCVEGCSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(O)c1CN(C)[C@@H]1CC[N@H+](C)C1 ZINC001237488998 979916256 /nfs/dbraw/zinc/91/62/56/979916256.db2.gz BJNPUDWVWOEOCD-GFCCVEGCSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(O)c1CN(C)[C@@H]1CC[N@@H+](C)C1 ZINC001237488998 979916263 /nfs/dbraw/zinc/91/62/63/979916263.db2.gz BJNPUDWVWOEOCD-GFCCVEGCSA-N 1 1 234.343 1.837 20 10 BDCDMO COC(=O)CC[N@@H+](C)Cc1c(C)cccc1O ZINC001237491969 979916572 /nfs/dbraw/zinc/91/65/72/979916572.db2.gz NFCZCWDPTSUYIM-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC12COC2 ZINC001237489925 979917547 /nfs/dbraw/zinc/91/75/47/979917547.db2.gz OJKZIBLZAFCNGO-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238058438 980134795 /nfs/dbraw/zinc/13/47/95/980134795.db2.gz RXNHJQLZGHWRPM-UHFFFAOYSA-N 1 1 227.279 1.918 20 10 BDCDMO C[NH2+][C@@H](C)CCNCc1c(O)cccc1OC ZINC001345100991 980548297 /nfs/dbraw/zinc/54/82/97/980548297.db2.gz YFZODANSUVBAFD-JTQLQIEISA-N 1 1 238.331 1.488 20 10 BDCDMO Oc1ccc(C[N@H+]2CCC[C@]23CCOC3)cc1O ZINC001203878565 982568506 /nfs/dbraw/zinc/56/85/06/982568506.db2.gz CPFADUMHWBKKPD-CQSZACIVSA-N 1 1 249.310 1.853 20 10 BDCDMO C[N@@H+](Cc1ccc(N)cc1)CC1(CO)CC1 ZINC001352789620 982581383 /nfs/dbraw/zinc/58/13/83/982581383.db2.gz KUPSWVSTZBFGIE-UHFFFAOYSA-N 1 1 220.316 1.473 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882547 982585180 /nfs/dbraw/zinc/58/51/80/982585180.db2.gz KWCSZQZJMSGRMZ-KOLCDFICSA-N 1 1 237.299 1.443 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001138122396 984801549 /nfs/dbraw/zinc/80/15/49/984801549.db2.gz BNEIMWQWYSUEOB-ONGXEEELSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001138122396 984801552 /nfs/dbraw/zinc/80/15/52/984801552.db2.gz BNEIMWQWYSUEOB-ONGXEEELSA-N 1 1 243.253 1.436 20 10 BDCDMO Cn1ccc2c1cc[nH+]c2-c1cnc(N)nc1 ZINC001243868539 985521804 /nfs/dbraw/zinc/52/18/04/985521804.db2.gz JTBDOHVABUGHQC-UHFFFAOYSA-N 1 1 225.255 1.613 20 10 BDCDMO C[C@H](CCO)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001462405865 986378461 /nfs/dbraw/zinc/37/84/61/986378461.db2.gz RKAHNIQDDAPAQO-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@H](CCO)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001462405865 986378475 /nfs/dbraw/zinc/37/84/75/986378475.db2.gz RKAHNIQDDAPAQO-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@@H](CCO)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001462405875 986379132 /nfs/dbraw/zinc/37/91/32/986379132.db2.gz RKAHNIQDDAPAQO-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001462405875 986379145 /nfs/dbraw/zinc/37/91/45/986379145.db2.gz RKAHNIQDDAPAQO-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO Nc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246170537 987531473 /nfs/dbraw/zinc/53/14/73/987531473.db2.gz MNNLAYJUXSAJOS-PBWFPOADSA-N 1 1 231.343 1.641 20 10 BDCDMO COc1cc(C)c(C[N@@H+](C)CCCO)c(O)c1 ZINC001474470072 987729224 /nfs/dbraw/zinc/72/92/24/987729224.db2.gz YBEMOLSKEJQZNH-UHFFFAOYSA-N 1 1 239.315 1.523 20 10 BDCDMO CC1(O)C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001119246261 988863413 /nfs/dbraw/zinc/86/34/13/988863413.db2.gz ZMFNUKBOOVCNQW-UHFFFAOYSA-N 1 1 246.354 1.853 20 10 BDCDMO C[NH2+]CCCN(C)Cc1ccc(N)cc1 ZINC001120268516 989621184 /nfs/dbraw/zinc/62/11/84/989621184.db2.gz HCROMOSGMHFNRH-UHFFFAOYSA-N 1 1 207.321 1.310 20 10 BDCDMO C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)[C@@H]1CN ZINC001120263967 989621840 /nfs/dbraw/zinc/62/18/40/989621840.db2.gz YGYDIFMYWQDIHU-SMDDNHRTSA-N 1 1 233.359 1.828 20 10 BDCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@@H]1CN ZINC001120263967 989621844 /nfs/dbraw/zinc/62/18/44/989621844.db2.gz YGYDIFMYWQDIHU-SMDDNHRTSA-N 1 1 233.359 1.828 20 10 BDCDMO Nc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001120268504 989622792 /nfs/dbraw/zinc/62/27/92/989622792.db2.gz GLTNWNCUHJYPLT-LBPRGKRZSA-N 1 1 219.332 1.358 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)[C@H](C)CN1C ZINC001120371047 989641538 /nfs/dbraw/zinc/64/15/38/989641538.db2.gz NSKVUXFKFFFPJV-VXGBXAGGSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(N)cc1 ZINC001120371047 989641547 /nfs/dbraw/zinc/64/15/47/989641547.db2.gz NSKVUXFKFFFPJV-VXGBXAGGSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(N)cc1 ZINC001120371047 989641564 /nfs/dbraw/zinc/64/15/64/989641564.db2.gz NSKVUXFKFFFPJV-VXGBXAGGSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@H]1O ZINC001137833167 990857395 /nfs/dbraw/zinc/85/73/95/990857395.db2.gz VWLYWKFSCKVLTI-NOZJJQNGSA-N 1 1 239.290 1.734 20 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BDCDMO CC[N@H+]1CC[C@@H](NCc2ccc(O)c(O)c2)C1 ZINC000389186395 993744598 /nfs/dbraw/zinc/74/45/98/993744598.db2.gz SEQSRLILTGPTNP-LLVKDONJSA-N 1 1 236.315 1.282 20 10 BDCDMO CC(C)[N@@H+](CCO)Cc1cc(F)ccc1O ZINC000272262565 187335708 /nfs/dbraw/zinc/33/57/08/187335708.db2.gz KHOPYPWQLMBTIX-UHFFFAOYSA-N 1 1 227.279 1.734 20 10 BDCDMO Nc1ccc(C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000042317629 343434547 /nfs/dbraw/zinc/43/45/47/343434547.db2.gz XAIXMLZCBNHJKI-UHFFFAOYSA-N 1 1 231.343 1.549 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092763757 343785101 /nfs/dbraw/zinc/78/51/01/343785101.db2.gz MYWIBLWJLDNDLA-VIFPVBQESA-N 1 1 241.718 1.860 20 10 BDCDMO Cc1cccc(C[N@H+](CC(N)=O)C(C)C)c1O ZINC000124514537 179071019 /nfs/dbraw/zinc/07/10/19/179071019.db2.gz UFQBAIJPYXIBAI-UHFFFAOYSA-N 1 1 236.315 1.396 20 10 BDCDMO Cc1cccc(C[N@H+](C)CC[C@@H](C)O)c1O ZINC000132508300 179065700 /nfs/dbraw/zinc/06/57/00/179065700.db2.gz ANZBVOHVNQILHB-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCn3cncc3C2)c1O ZINC000291514455 179081804 /nfs/dbraw/zinc/08/18/04/179081804.db2.gz IONBHQHSOKEFNG-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1cccc(C[N@H+]2CCn3cncc3C2)c1O ZINC000291514455 179081807 /nfs/dbraw/zinc/08/18/07/179081807.db2.gz IONBHQHSOKEFNG-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000368132323 179075747 /nfs/dbraw/zinc/07/57/47/179075747.db2.gz FSHZBPKCQXQLPP-NSHDSACASA-N 1 1 248.326 1.411 20 10 BDCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCNC1=O ZINC000281798981 351909922 /nfs/dbraw/zinc/90/99/22/351909922.db2.gz OSOSABQEXZYAEZ-LLVKDONJSA-N 1 1 234.299 1.103 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179981287 183119513 /nfs/dbraw/zinc/11/95/13/183119513.db2.gz XBIMAHYLASNODZ-NSHDSACASA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000236565186 183255035 /nfs/dbraw/zinc/25/50/35/183255035.db2.gz ZHHODJFWXFFDOZ-KOLCDFICSA-N 1 1 239.290 1.782 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]CC1=CCCOC1 ZINC000290221331 183255674 /nfs/dbraw/zinc/25/56/74/183255674.db2.gz RQYBYIOCRUUXQH-UHFFFAOYSA-N 1 1 237.274 1.968 20 10 BDCDMO Oc1ccccc1C[N@@H+](C1CC1)C1COC1 ZINC000296201958 183301588 /nfs/dbraw/zinc/30/15/88/183301588.db2.gz ZFBQKGDUBUOTQP-UHFFFAOYSA-N 1 1 219.284 1.755 20 10 BDCDMO Oc1ccccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245908672 183302381 /nfs/dbraw/zinc/30/23/81/183302381.db2.gz MESVLDUWAGLFNN-ZDUSSCGKSA-N 1 1 232.327 1.672 20 10 BDCDMO Oc1ccccc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000363940275 183303337 /nfs/dbraw/zinc/30/33/37/183303337.db2.gz XOOYODZUZZPZDV-LBPRGKRZSA-N 1 1 243.310 1.762 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1F ZINC000067695113 383939597 /nfs/dbraw/zinc/93/95/97/383939597.db2.gz LZTDQQJHTYJMBW-UHFFFAOYSA-N 1 1 248.305 1.905 20 10 BDCDMO COC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000072629626 384012841 /nfs/dbraw/zinc/01/28/41/384012841.db2.gz IBVFMJLFYQFRMG-SNVBAGLBSA-N 1 1 209.289 1.859 20 10 BDCDMO 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BDCDMO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272527172 385911038 /nfs/dbraw/zinc/91/10/38/385911038.db2.gz ZACLSGSUDJFUBU-GFCCVEGCSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272527172 385911043 /nfs/dbraw/zinc/91/10/43/385911043.db2.gz ZACLSGSUDJFUBU-GFCCVEGCSA-N 1 1 225.263 1.488 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)CO)c1 ZINC000289517183 386320676 /nfs/dbraw/zinc/32/06/76/386320676.db2.gz VCTYDJQENQJXAZ-SNVBAGLBSA-N 1 1 209.289 1.513 20 10 BDCDMO CO[C@H](C)C[N@H+](C)Cc1cccc(F)c1O ZINC000289591325 386333214 /nfs/dbraw/zinc/33/32/14/386333214.db2.gz KKZKZXONEFTFBT-SECBINFHSA-N 1 1 227.279 1.998 20 10 BDCDMO CO[C@H](C)C[N@@H+](C)Cc1cccc(F)c1O ZINC000289591325 386333220 /nfs/dbraw/zinc/33/32/20/386333220.db2.gz KKZKZXONEFTFBT-SECBINFHSA-N 1 1 227.279 1.998 20 10 BDCDMO C[N@@H+](CCC(C)(C)O)Cc1ccccc1O ZINC000267456608 386546445 /nfs/dbraw/zinc/54/64/45/386546445.db2.gz SZWNTRGGRDCEPW-UHFFFAOYSA-N 1 1 223.316 1.985 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cc(C)ccc1O ZINC000295074396 386690849 /nfs/dbraw/zinc/69/08/49/386690849.db2.gz HSBJFKIFYCWBOK-GFCCVEGCSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000359997822 387792321 /nfs/dbraw/zinc/79/23/21/387792321.db2.gz VEVSNYVHYHUNQB-UHFFFAOYSA-N 1 1 244.298 1.349 20 10 BDCDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(N)cc1 ZINC000035361322 170057264 /nfs/dbraw/zinc/05/72/64/170057264.db2.gz POXAHUMRBZQFTL-UHFFFAOYSA-N 1 1 235.331 1.227 20 10 BDCDMO CCOCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000156089179 170390335 /nfs/dbraw/zinc/39/03/35/170390335.db2.gz HGDMKUYJHUDMMH-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000194538508 173197560 /nfs/dbraw/zinc/19/75/60/173197560.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 1 1 232.327 1.386 20 10 BDCDMO CN1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000194538508 173197562 /nfs/dbraw/zinc/19/75/62/173197562.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 1 1 232.327 1.386 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](CCO)C(C)C)c1 ZINC000271793390 175157030 /nfs/dbraw/zinc/15/70/30/175157030.db2.gz JPYQTMMTCWLLDG-UHFFFAOYSA-N 1 1 239.315 1.604 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000893871214 583237052 /nfs/dbraw/zinc/23/70/52/583237052.db2.gz IEWKJBODAPFRBX-JTQLQIEISA-N 1 1 243.253 1.627 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000893871214 583237055 /nfs/dbraw/zinc/23/70/55/583237055.db2.gz IEWKJBODAPFRBX-JTQLQIEISA-N 1 1 243.253 1.627 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000893871215 583238075 /nfs/dbraw/zinc/23/80/75/583238075.db2.gz IEWKJBODAPFRBX-SNVBAGLBSA-N 1 1 243.253 1.627 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000893871215 583238077 /nfs/dbraw/zinc/23/80/77/583238077.db2.gz IEWKJBODAPFRBX-SNVBAGLBSA-N 1 1 243.253 1.627 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c1O ZINC000814173161 583342761 /nfs/dbraw/zinc/34/27/61/583342761.db2.gz HDIXITNLYCAHNU-TZMCWYRMSA-N 1 1 246.354 1.837 20 10 BDCDMO OC[C@@H]1CSCC[N@H+]1Cc1ccccc1O ZINC000877780338 583347477 /nfs/dbraw/zinc/34/74/77/583347477.db2.gz NCOULJUJZNYDAR-LLVKDONJSA-N 1 1 239.340 1.302 20 10 BDCDMO CC[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC000205610702 583401471 /nfs/dbraw/zinc/40/14/71/583401471.db2.gz PQZXVBBIOKZADX-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO CN(C)c1ccc(C[N@H+](C)CN2CCC2=O)cc1 ZINC000857228605 588896463 /nfs/dbraw/zinc/89/64/63/588896463.db2.gz BMYLEDDRAHGACZ-UHFFFAOYSA-N 1 1 247.342 1.374 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CN2CCC2=O)cc1 ZINC000857228605 588896465 /nfs/dbraw/zinc/89/64/65/588896465.db2.gz BMYLEDDRAHGACZ-UHFFFAOYSA-N 1 1 247.342 1.374 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895784771 583727267 /nfs/dbraw/zinc/72/72/67/583727267.db2.gz LJZRGPNNWGVNRJ-LNSITVRQSA-N 1 1 247.338 1.903 20 10 BDCDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)n(C)n1 ZINC000896638925 583820075 /nfs/dbraw/zinc/82/00/75/583820075.db2.gz RWQAELONKXDEMQ-UHFFFAOYSA-N 1 1 249.289 1.863 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897680116 584038419 /nfs/dbraw/zinc/03/84/19/584038419.db2.gz PIGUGQQMCIHYCD-DOMZBBRYSA-N 1 1 248.370 1.874 20 10 BDCDMO CC[C@H]([NH3+])CNCc1cccc(OC)c1O ZINC000841069479 584155271 /nfs/dbraw/zinc/15/52/71/584155271.db2.gz AEFUIABQCLIUAO-JTQLQIEISA-N 1 1 224.304 1.228 20 10 BDCDMO Cc1ccc([C@H](C)[NH2+]CC2(N)CC2)c(O)c1 ZINC000902405632 584573322 /nfs/dbraw/zinc/57/33/22/584573322.db2.gz JMHBXZONJBZZPX-JTQLQIEISA-N 1 1 220.316 1.843 20 10 BDCDMO Cc1ccc([C@@H](C)[NH2+]CC2(N)CC2)c(O)c1 ZINC000902405633 584573368 /nfs/dbraw/zinc/57/33/68/584573368.db2.gz JMHBXZONJBZZPX-SNVBAGLBSA-N 1 1 220.316 1.843 20 10 BDCDMO CC[C@@H]([NH2+]CC1(N)CC1)c1ccccc1O ZINC000902408624 584575759 /nfs/dbraw/zinc/57/57/59/584575759.db2.gz ZRSDXVQBWMIQRV-LLVKDONJSA-N 1 1 220.316 1.924 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)C2(CO)CC2)c1 ZINC000827903493 584901084 /nfs/dbraw/zinc/90/10/84/584901084.db2.gz ISWRYWNWQULLNP-UHFFFAOYSA-N 1 1 221.300 1.657 20 10 BDCDMO C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732277086 584935504 /nfs/dbraw/zinc/93/55/04/584935504.db2.gz DXWNMJLVZKENAH-MRVPVSSYSA-N 1 1 240.328 1.278 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000758396016 585355713 /nfs/dbraw/zinc/35/57/13/585355713.db2.gz BBEVLLRTULHRRP-GFCCVEGCSA-N 1 1 248.326 1.329 20 10 BDCDMO COc1cccc(C[N@@H+](C)C2CC(O)C2)c1O ZINC000761223326 585412310 /nfs/dbraw/zinc/41/23/10/585412310.db2.gz PIVMRKDBGSZRPY-UHFFFAOYSA-N 1 1 237.299 1.356 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000769332228 585553938 /nfs/dbraw/zinc/55/39/38/585553938.db2.gz ZCFGHWNWYNISSB-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@](C)(O)C1 ZINC000769541442 585559003 /nfs/dbraw/zinc/55/90/03/585559003.db2.gz BFILHFLJJYUQEH-ZDUSSCGKSA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)[C@@H](C)CN1C ZINC000775987313 585688713 /nfs/dbraw/zinc/68/87/13/585688713.db2.gz VKSQXHBMKHJWEF-RYUDHWBXSA-N 1 1 234.343 1.917 20 10 BDCDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779217792 585747522 /nfs/dbraw/zinc/74/75/22/585747522.db2.gz BPIQVUNCEZLQAY-CYBMUJFWSA-N 1 1 239.290 1.878 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783735432 585841139 /nfs/dbraw/zinc/84/11/39/585841139.db2.gz QEODIIAWHJBMJX-YGRLFVJLSA-N 1 1 249.310 1.215 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783734569 585841236 /nfs/dbraw/zinc/84/12/36/585841236.db2.gz MQUWQRGQFOJVPM-SMDDNHRTSA-N 1 1 249.310 1.215 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000785765154 585880124 /nfs/dbraw/zinc/88/01/24/585880124.db2.gz SLHXKDRMSNCWFD-BXUZGUMPSA-N 1 1 234.343 1.565 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788270951 585920078 /nfs/dbraw/zinc/92/00/78/585920078.db2.gz XPABBELVVIWMFU-GXSJLCMTSA-N 1 1 237.299 1.356 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)CCCCO ZINC000788268851 585920201 /nfs/dbraw/zinc/92/02/01/585920201.db2.gz LCCTUSTYAABZQM-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000802653971 586307537 /nfs/dbraw/zinc/30/75/37/586307537.db2.gz BJRXCYXZVDJSTL-LLVKDONJSA-N 1 1 243.253 1.858 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000802653971 586307539 /nfs/dbraw/zinc/30/75/39/586307539.db2.gz BJRXCYXZVDJSTL-LLVKDONJSA-N 1 1 243.253 1.858 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@](F)(CO)C2)c1O ZINC000802661477 586308603 /nfs/dbraw/zinc/30/86/03/586308603.db2.gz QMOUUZNNMQBOKO-CYBMUJFWSA-N 1 1 239.290 1.607 20 10 BDCDMO COc1cccc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000809745923 586516464 /nfs/dbraw/zinc/51/64/64/586516464.db2.gz NOSJZYNRDPJJKG-SECBINFHSA-N 1 1 225.288 1.213 20 10 BDCDMO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000812778590 586583878 /nfs/dbraw/zinc/58/38/78/586583878.db2.gz MEBCEUMMSJZUFF-GFCCVEGCSA-N 1 1 239.290 1.877 20 10 BDCDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccccc1O ZINC000812778127 586583935 /nfs/dbraw/zinc/58/39/35/586583935.db2.gz CCSQXMAZSCDBIR-LBPRGKRZSA-N 1 1 221.300 1.737 20 10 BDCDMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)ccc1N(C)C ZINC000815081054 586665784 /nfs/dbraw/zinc/66/57/84/586665784.db2.gz QOCRTPYXGBSYBA-DOMZBBRYSA-N 1 1 248.370 1.874 20 10 BDCDMO C[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558571 586740709 /nfs/dbraw/zinc/74/07/09/586740709.db2.gz DNLJYNVOVFUWOH-LURJTMIESA-N 1 1 233.670 1.655 20 10 BDCDMO C[C@H](NCC[NH3+])c1cc2c(cc1O)CCCC2 ZINC000817934062 586843488 /nfs/dbraw/zinc/84/34/88/586843488.db2.gz BEQBZTLEMOIZER-JTQLQIEISA-N 1 1 234.343 1.880 20 10 BDCDMO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCNC1)CC2 ZINC000817941956 586845253 /nfs/dbraw/zinc/84/52/53/586845253.db2.gz USIHIAPPXGQHCV-VXGBXAGGSA-N 1 1 232.327 1.721 20 10 BDCDMO CC[NH2+]CCN[C@@H](C)c1cc(F)cc(F)c1O ZINC000817952810 586848547 /nfs/dbraw/zinc/84/85/47/586848547.db2.gz UFYPZYLYJSGDOK-QMMMGPOBSA-N 1 1 244.285 1.931 20 10 BDCDMO C[C@H](NCCc1ccc(N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817957444 586850705 /nfs/dbraw/zinc/85/07/05/586850705.db2.gz MENXUNLKZZBCLJ-WFASDCNBSA-N 1 1 247.386 1.932 20 10 BDCDMO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCCN1 ZINC000817957444 586850708 /nfs/dbraw/zinc/85/07/08/586850708.db2.gz MENXUNLKZZBCLJ-WFASDCNBSA-N 1 1 247.386 1.932 20 10 BDCDMO C[C@H]([NH2+]CC1(N)CCC1)c1ccccc1O ZINC000817965575 586854123 /nfs/dbraw/zinc/85/41/23/586854123.db2.gz XWEYINIHASEUJJ-JTQLQIEISA-N 1 1 220.316 1.924 20 10 BDCDMO COc1ccc(O)c([C@@H](C)N[C@@H](C)C[NH3+])c1 ZINC000817970033 586856714 /nfs/dbraw/zinc/85/67/14/586856714.db2.gz JXHWLARLVXZPLP-DTWKUNHWSA-N 1 1 224.304 1.399 20 10 BDCDMO C[C@@H](CN)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817970475 586858394 /nfs/dbraw/zinc/85/83/94/586858394.db2.gz WXTMJRLROFBMPS-QWRGUYRKSA-N 1 1 221.348 1.750 20 10 BDCDMO Cc1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817977581 586862172 /nfs/dbraw/zinc/86/21/72/586862172.db2.gz KXCIJTQRZCSISJ-PQFRYHKHSA-N 1 1 232.327 1.569 20 10 BDCDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000827284725 587375309 /nfs/dbraw/zinc/37/53/09/587375309.db2.gz VWWDKNPTSINGSL-TZMCWYRMSA-N 1 1 233.311 1.861 20 10 BDCDMO [O-]c1c(F)cccc1C[N@H+]1CCC2(COC2)C1 ZINC000827645790 587394175 /nfs/dbraw/zinc/39/41/75/587394175.db2.gz WPDFAADKNKJABD-UHFFFAOYSA-N 1 1 237.274 1.754 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827645790 587394177 /nfs/dbraw/zinc/39/41/77/587394177.db2.gz WPDFAADKNKJABD-UHFFFAOYSA-N 1 1 237.274 1.754 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CCC2(COC2)C1 ZINC000827645790 587394179 /nfs/dbraw/zinc/39/41/79/587394179.db2.gz WPDFAADKNKJABD-UHFFFAOYSA-N 1 1 237.274 1.754 20 10 BDCDMO Cc1cccc(CN2CCc3n[nH]nc3C2)c1O ZINC000827885393 587407389 /nfs/dbraw/zinc/40/73/89/587407389.db2.gz ZVXIFXHOESUQHG-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1O ZINC000827885393 587407390 /nfs/dbraw/zinc/40/73/90/587407390.db2.gz ZVXIFXHOESUQHG-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1O ZINC000827885393 587407391 /nfs/dbraw/zinc/40/73/91/587407391.db2.gz ZVXIFXHOESUQHG-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)C1(CO)CCC1 ZINC000827904042 587409616 /nfs/dbraw/zinc/40/96/16/587409616.db2.gz UKKLRDWJAJBVBY-UHFFFAOYSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@H]1[C@H](C(=O)Nc2ccc(N)cc2)CC[N@H+]1C ZINC000832250024 587652200 /nfs/dbraw/zinc/65/22/00/587652200.db2.gz JOTUGKSRBHFJFH-BXKDBHETSA-N 1 1 233.315 1.548 20 10 BDCDMO CCC[N@@H+](C)CC(=O)NCCc1ccc(N)cc1 ZINC000832658872 587674485 /nfs/dbraw/zinc/67/44/85/587674485.db2.gz FCBQIEIMAZBCHN-UHFFFAOYSA-N 1 1 249.358 1.269 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](CO)C1 ZINC000840913557 587929758 /nfs/dbraw/zinc/92/97/58/587929758.db2.gz XSPNLACPAQNEEP-ZDUSSCGKSA-N 1 1 248.370 1.875 20 10 BDCDMO [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000841029676 587936181 /nfs/dbraw/zinc/93/61/81/587936181.db2.gz YDXTWMFSLHUHNI-LLVKDONJSA-N 1 1 240.734 1.873 20 10 BDCDMO CC(C)([NH3+])CNCc1cc(F)ccc1O ZINC000841031440 587936804 /nfs/dbraw/zinc/93/68/04/587936804.db2.gz UCZZOSWFLOTPHS-UHFFFAOYSA-N 1 1 212.268 1.358 20 10 BDCDMO Cc1[nH]ncc1C[NH2+]CCc1ccc(N)cc1 ZINC000841034423 587937262 /nfs/dbraw/zinc/93/72/62/587937262.db2.gz AQEJRYOVFBYRLW-UHFFFAOYSA-N 1 1 230.315 1.633 20 10 BDCDMO COc1ccc(O)c(CNCC2([NH3+])CCC2)c1 ZINC000841047622 587939348 /nfs/dbraw/zinc/93/93/48/587939348.db2.gz ADLCLGSTIDRGQI-UHFFFAOYSA-N 1 1 236.315 1.372 20 10 BDCDMO CC[C@@H](N)C[NH2+]Cc1cccc(C)c1O ZINC000841071341 587943246 /nfs/dbraw/zinc/94/32/46/587943246.db2.gz DJHNWRUUFDPJJT-LLVKDONJSA-N 1 1 208.305 1.528 20 10 BDCDMO CC[C@@H]([NH3+])CNCc1cccc(C)c1O ZINC000841071341 587943248 /nfs/dbraw/zinc/94/32/48/587943248.db2.gz DJHNWRUUFDPJJT-LLVKDONJSA-N 1 1 208.305 1.528 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000841077027 587943453 /nfs/dbraw/zinc/94/34/53/587943453.db2.gz WYKWVLSLLHCHFD-VHSXEESVSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1ccc(O)c(CN[C@H](C)[C@H](C)[NH3+])c1 ZINC000841077027 587943455 /nfs/dbraw/zinc/94/34/55/587943455.db2.gz WYKWVLSLLHCHFD-VHSXEESVSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cccc(C[NH+]2C[C@@H](C)N[C@H](C)C2)c1O ZINC000843049755 588076899 /nfs/dbraw/zinc/07/68/99/588076899.db2.gz VPZGBYUJKJGTEB-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116306 588082667 /nfs/dbraw/zinc/08/26/67/588082667.db2.gz KIPXASARFMCLMW-CYBMUJFWSA-N 1 1 238.306 1.702 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000848905979 588418826 /nfs/dbraw/zinc/41/88/26/588418826.db2.gz OTRSUNDXEVTQFS-MFKMUULPSA-N 1 1 235.327 1.910 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000872265839 589902966 /nfs/dbraw/zinc/90/29/66/589902966.db2.gz MJIOLOQDBJGKHZ-BETUJISGSA-N 1 1 233.311 1.779 20 10 BDCDMO Cc1ccc(C[N@H+]2CCCNC(=O)C2)c(O)c1 ZINC000876639595 590224903 /nfs/dbraw/zinc/22/49/03/590224903.db2.gz HUAHLQGPNFHGDH-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CO)C1 ZINC000876660526 590227363 /nfs/dbraw/zinc/22/73/63/590227363.db2.gz UVSHJKDLXDFSOZ-LLVKDONJSA-N 1 1 221.300 1.515 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@H]2CCNC2=O)c(O)c1 ZINC000876814218 590245225 /nfs/dbraw/zinc/24/52/25/590245225.db2.gz DOJXMDZCHUAEQX-NSHDSACASA-N 1 1 234.299 1.021 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H]1O ZINC000876814350 590246156 /nfs/dbraw/zinc/24/61/56/590246156.db2.gz DZQCRRINBWYFHW-BXUZGUMPSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(O)c1 ZINC000877183261 590297902 /nfs/dbraw/zinc/29/79/02/590297902.db2.gz BECMAKMANVUXGM-NWDGAFQWSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(O)c1 ZINC000877183260 590297968 /nfs/dbraw/zinc/29/79/68/590297968.db2.gz BECMAKMANVUXGM-NEPJUHHUSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1nc(CC[NH2+]Cc2c(C)cccc2O)n[nH]1 ZINC000877180198 590298232 /nfs/dbraw/zinc/29/82/32/590298232.db2.gz QGVXDARYDMLQLU-UHFFFAOYSA-N 1 1 246.314 1.459 20 10 BDCDMO Cc1nnc(CC[NH2+]Cc2c(C)cccc2O)[nH]1 ZINC000877180198 590298234 /nfs/dbraw/zinc/29/82/34/590298234.db2.gz QGVXDARYDMLQLU-UHFFFAOYSA-N 1 1 246.314 1.459 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC000877434746 590326868 /nfs/dbraw/zinc/32/68/68/590326868.db2.gz TZKCBRDXGPDEQK-DGCLKSJQSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC000877434748 590327318 /nfs/dbraw/zinc/32/73/18/590327318.db2.gz TZKCBRDXGPDEQK-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000877433986 590327353 /nfs/dbraw/zinc/32/73/53/590327353.db2.gz LCLVUBDQFLSKHU-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+](C)CCCCO)c(O)c1 ZINC000877471763 590335360 /nfs/dbraw/zinc/33/53/60/590335360.db2.gz ZTOMECZLEMMWHG-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)c(O)c1 ZINC000877547292 590352927 /nfs/dbraw/zinc/35/29/27/590352927.db2.gz SIWYJZDPLAGJLY-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO [NH3+]C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128320179 590979402 /nfs/dbraw/zinc/97/94/02/590979402.db2.gz SIHJNYDOUYHRCI-SECBINFHSA-N 1 1 240.734 1.826 20 10 BDCDMO [NH3+]C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128320179 590979403 /nfs/dbraw/zinc/97/94/03/590979403.db2.gz SIHJNYDOUYHRCI-SECBINFHSA-N 1 1 240.734 1.826 20 10 BDCDMO COC[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886604921 592273645 /nfs/dbraw/zinc/27/36/45/592273645.db2.gz GELUGBFLSDQFBL-DTWKUNHWSA-N 1 1 243.278 1.189 20 10 BDCDMO C[C@H]([NH2+][C@@H](CO)CCF)c1c(O)cccc1F ZINC000886632759 592282444 /nfs/dbraw/zinc/28/24/44/592282444.db2.gz DFWJNPMHJRFDEQ-DTWKUNHWSA-N 1 1 245.269 1.902 20 10 BDCDMO C[C@H]([NH2+]C/C=C\CO)c1c(O)cccc1F ZINC000886636072 592284339 /nfs/dbraw/zinc/28/43/39/592284339.db2.gz FSWKWNILDIJVJU-XADBCAIWSA-N 1 1 225.263 1.730 20 10 BDCDMO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1c(O)cccc1F ZINC000886643617 592288034 /nfs/dbraw/zinc/28/80/34/592288034.db2.gz ZZHAMMLOZKIRTP-BBBLOLIVSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1c(O)cccc1F ZINC000886643619 592288161 /nfs/dbraw/zinc/28/81/61/592288161.db2.gz 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Cc1cc(O)c(C[N@H+]2CC[C@@](C)(O)C2)cc1C ZINC000180189386 178195752 /nfs/dbraw/zinc/19/57/52/178195752.db2.gz CODGJUKULRVKEF-CQSZACIVSA-N 1 1 235.327 1.966 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000007250723 342790317 /nfs/dbraw/zinc/79/03/17/342790317.db2.gz NMKJUFVFBPAOEZ-UHFFFAOYSA-N 1 1 235.331 1.060 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCNC(=O)CC2)cc1 ZINC000093101424 398308296 /nfs/dbraw/zinc/30/82/96/398308296.db2.gz MDHZEYYTTFRAAC-UHFFFAOYSA-N 1 1 247.342 1.075 20 10 BDCDMO CC(=O)NC1C[NH+](Cc2cccc(C)c2O)C1 ZINC000297414322 187352476 /nfs/dbraw/zinc/35/24/76/187352476.db2.gz LTMSOYQYTMBDKN-UHFFFAOYSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000162817914 179068307 /nfs/dbraw/zinc/06/83/07/179068307.db2.gz LPYVVNJJZMJZHZ-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC000179920699 179080648 /nfs/dbraw/zinc/08/06/48/179080648.db2.gz SNWZCCFIPYJOHV-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO 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ZINC000111236469 383843818 /nfs/dbraw/zinc/84/38/18/383843818.db2.gz WVKPUFGAKURXDI-UHFFFAOYSA-N 1 1 223.272 1.387 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000066057168 383845683 /nfs/dbraw/zinc/84/56/83/383845683.db2.gz MGMJUDQGJJPKPT-AWEZNQCLSA-N 1 1 248.370 1.957 20 10 BDCDMO CCCC[N@@H+](CC(N)=O)Cc1ccccc1O ZINC000132865661 384258573 /nfs/dbraw/zinc/25/85/73/384258573.db2.gz JUTJQXNFLVMYKK-UHFFFAOYSA-N 1 1 236.315 1.480 20 10 BDCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000119527652 384281705 /nfs/dbraw/zinc/28/17/05/384281705.db2.gz ZCLDXXOWBOBWQK-SECBINFHSA-N 1 1 223.272 1.386 20 10 BDCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000119527652 384281715 /nfs/dbraw/zinc/28/17/15/384281715.db2.gz ZCLDXXOWBOBWQK-SECBINFHSA-N 1 1 223.272 1.386 20 10 BDCDMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccccc1O ZINC000121144995 384400465 /nfs/dbraw/zinc/40/04/65/384400465.db2.gz IAXFCPAQNYBALF-SNVBAGLBSA-N 1 1 236.315 1.301 20 10 BDCDMO C[N@@H+](CCO)Cc1c(O)cccc1Cl ZINC000127921995 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ZINC000289179920 386269913 /nfs/dbraw/zinc/26/99/13/386269913.db2.gz AKDWHFRIQPHYGU-MRVPVSSYSA-N 1 1 213.252 1.344 20 10 BDCDMO COC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000226565056 386334584 /nfs/dbraw/zinc/33/45/84/386334584.db2.gz JUQBDERIMXIGSV-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000295072624 386692249 /nfs/dbraw/zinc/69/22/49/386692249.db2.gz HMQQSVVNLLFLGT-NSHDSACASA-N 1 1 239.315 1.604 20 10 BDCDMO CC[C@@H](CO)[N@H+](C)Cc1cccc(F)c1O ZINC000295077177 386692809 /nfs/dbraw/zinc/69/28/09/386692809.db2.gz HVYBNMZOQZZHBE-JTQLQIEISA-N 1 1 227.279 1.734 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1cccc(F)c1O ZINC000295077177 386692814 /nfs/dbraw/zinc/69/28/14/386692814.db2.gz HVYBNMZOQZZHBE-JTQLQIEISA-N 1 1 227.279 1.734 20 10 BDCDMO CC[C@H]([NH2+]C[C@H](C)O)c1ccc(F)cc1O ZINC000285842144 387287094 /nfs/dbraw/zinc/28/70/94/387287094.db2.gz XKYSEVOQHSJKLN-KWQFWETISA-N 1 1 227.279 1.953 20 10 BDCDMO CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273412759 170140721 /nfs/dbraw/zinc/14/07/21/170140721.db2.gz QAVOVMQYQHJRCN-QMMMGPOBSA-N 1 1 223.272 1.849 20 10 BDCDMO CCOCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000181484428 170390527 /nfs/dbraw/zinc/39/05/27/170390527.db2.gz FNCALKWGUUXUGF-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO COc1cccc(C[N@@H+](C)CCF)c1O ZINC000293594700 175255358 /nfs/dbraw/zinc/25/53/58/175255358.db2.gz ITXNBLMDOAYPGJ-UHFFFAOYSA-N 1 1 213.252 1.802 20 10 BDCDMO COc1cccc(C[NH2+]Cc2n[nH]cc2C)c1O ZINC000291703935 175265511 /nfs/dbraw/zinc/26/55/11/175265511.db2.gz ZFKOTBNEBUFIGX-UHFFFAOYSA-N 1 1 247.298 1.722 20 10 BDCDMO C[C@H](CO)C[NH2+]Cc1cccc(F)c1O ZINC000165167633 176692866 /nfs/dbraw/zinc/69/28/66/176692866.db2.gz KHFQLCJVABJKNJ-QMMMGPOBSA-N 1 1 213.252 1.249 20 10 BDCDMO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccccc1O ZINC000377825473 177062872 /nfs/dbraw/zinc/06/28/72/177062872.db2.gz CBLCOWDAIZQUBP-JTQLQIEISA-N 1 1 234.299 1.103 20 10 BDCDMO CNC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000854232738 588781374 /nfs/dbraw/zinc/78/13/74/588781374.db2.gz SKNSDZOCPDTFDI-WDEREUQCSA-N 1 1 222.332 1.959 20 10 BDCDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000877754002 583345814 /nfs/dbraw/zinc/34/58/14/583345814.db2.gz WFYFQLQDFYARDJ-GFCCVEGCSA-N 1 1 235.327 1.985 20 10 BDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647813 583699526 /nfs/dbraw/zinc/69/95/26/583699526.db2.gz MICMZWRJHWICFV-FZMZJTMJSA-N 1 1 249.310 1.358 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651739 583703434 /nfs/dbraw/zinc/70/34/34/583703434.db2.gz BRKHQWDHELZMCW-GWCFXTLKSA-N 1 1 219.284 1.267 20 10 BDCDMO Cc1cnn(C)c1C[NH2+]Cc1c(O)cccc1F ZINC000896636631 583819522 /nfs/dbraw/zinc/81/95/22/583819522.db2.gz DIBCPYCMOVQTGX-UHFFFAOYSA-N 1 1 249.289 1.863 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897678371 584036548 /nfs/dbraw/zinc/03/65/48/584036548.db2.gz ASNUPLVHCVFXPY-ZWNOBZJWSA-N 1 1 221.300 1.513 20 10 BDCDMO CC(C)C[C@H](N)C[NH2+]CCc1ccc(N)cc1 ZINC000841037870 584081468 /nfs/dbraw/zinc/08/14/68/584081468.db2.gz CQHDNMUNQXCDQL-AWEZNQCLSA-N 1 1 235.375 1.774 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000841059550 584126265 /nfs/dbraw/zinc/12/62/65/584126265.db2.gz UJYDYXAGSDGXKZ-AAEUAGOBSA-N 1 1 234.343 1.788 20 10 BDCDMO COc1cc(C[N@H+]2CC[C@H]2CO)c(O)cc1C ZINC000902630673 584647111 /nfs/dbraw/zinc/64/71/11/584647111.db2.gz BYNHZAIBDUNAJL-NSHDSACASA-N 1 1 237.299 1.276 20 10 BDCDMO C[N@@H+]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732277087 584935546 /nfs/dbraw/zinc/93/55/46/584935546.db2.gz DXWNMJLVZKENAH-QMMMGPOBSA-N 1 1 240.328 1.278 20 10 BDCDMO COC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000839128699 585093537 /nfs/dbraw/zinc/09/35/37/585093537.db2.gz SICIWGJIONBEJC-UHFFFAOYSA-N 1 1 220.316 1.583 20 10 BDCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000768231535 585534533 /nfs/dbraw/zinc/53/45/33/585534533.db2.gz VTAIWLXNIMUJAH-JTQLQIEISA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000768231535 585534534 /nfs/dbraw/zinc/53/45/34/585534534.db2.gz VTAIWLXNIMUJAH-JTQLQIEISA-N 1 1 237.299 1.622 20 10 BDCDMO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768440141 585538428 /nfs/dbraw/zinc/53/84/28/585538428.db2.gz DIPUGXZTTGDGTK-CYBMUJFWSA-N 1 1 249.310 1.802 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769446262 585556597 /nfs/dbraw/zinc/55/65/97/585556597.db2.gz LNESRFGQUBROBK-CQSZACIVSA-N 1 1 234.343 1.973 20 10 BDCDMO CCN(C)c1ccc(C[N@H+](C)CC(=O)NC)cc1 ZINC000773731713 585643071 /nfs/dbraw/zinc/64/30/71/585643071.db2.gz OGGJUZNLMWRBID-UHFFFAOYSA-N 1 1 249.358 1.321 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](C)CC(=O)NC)cc1 ZINC000773731713 585643072 /nfs/dbraw/zinc/64/30/72/585643072.db2.gz OGGJUZNLMWRBID-UHFFFAOYSA-N 1 1 249.358 1.321 20 10 BDCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1O ZINC000788268586 585920245 /nfs/dbraw/zinc/92/02/45/585920245.db2.gz GKHCDJNANZDBNI-ONGXEEELSA-N 1 1 207.273 1.347 20 10 BDCDMO Cc1cc(C[N@H+](C)[C@@H](C)CO)ccc1N(C)C ZINC000815075833 586665205 /nfs/dbraw/zinc/66/52/05/586665205.db2.gz FQIDBYHWYZYOLD-LBPRGKRZSA-N 1 1 236.359 1.874 20 10 BDCDMO Cc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)ccc1N(C)C ZINC000815081056 586666205 /nfs/dbraw/zinc/66/62/05/586666205.db2.gz QOCRTPYXGBSYBA-SWLSCSKDSA-N 1 1 248.370 1.874 20 10 BDCDMO C[C@@H]1C[C@H]([NH2+]CCN)c2c1c(F)ccc2O ZINC000817935450 586843243 /nfs/dbraw/zinc/84/32/43/586843243.db2.gz WERXVXVPVNSXCG-APPZFPTMSA-N 1 1 224.279 1.628 20 10 BDCDMO C[C@H]([NH2+][C@H]1CCCNC1)c1cc(F)ccc1O ZINC000817940482 586845436 /nfs/dbraw/zinc/84/54/36/586845436.db2.gz ICLBGZVTQSBFHF-ONGXEEELSA-N 1 1 238.306 1.934 20 10 BDCDMO CC[C@H](NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817957018 586850456 /nfs/dbraw/zinc/85/04/56/586850456.db2.gz HKBQBXIIDREOTA-GJZGRUSLSA-N 1 1 247.386 1.932 20 10 BDCDMO N[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964766 586854215 /nfs/dbraw/zinc/85/42/15/586854215.db2.gz HJHGBZGWEIIBHN-NWDGAFQWSA-N 1 1 232.327 1.706 20 10 BDCDMO C[C@H](NCC1C[NH2+]C1)c1cc(F)ccc1O ZINC000817964939 586854347 /nfs/dbraw/zinc/85/43/47/586854347.db2.gz JUOILRQNKSLOLU-QMMMGPOBSA-N 1 1 224.279 1.401 20 10 BDCDMO C[C@H](C[NH3+])[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817966164 586855524 /nfs/dbraw/zinc/85/55/24/586855524.db2.gz HSBGQOJGUUCJRH-HTQZYQBOSA-N 1 1 239.275 1.298 20 10 BDCDMO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965965 586855763 /nfs/dbraw/zinc/85/57/63/586855763.db2.gz XSUNLGJHIFGGPC-PRHODGIISA-N 1 1 238.306 1.919 20 10 BDCDMO CC[C@@H]([NH2+]C[C@H](C)N)c1ccccc1O ZINC000817974001 586860027 /nfs/dbraw/zinc/86/00/27/586860027.db2.gz XIPRRAVLJKVWCY-GXSJLCMTSA-N 1 1 208.305 1.780 20 10 BDCDMO CCN[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817974066 586860410 /nfs/dbraw/zinc/86/04/10/586860410.db2.gz XSCMLULMJMVESA-PWSUYJOCSA-N 1 1 234.343 1.967 20 10 BDCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825256560 587311204 /nfs/dbraw/zinc/31/12/04/587311204.db2.gz ARHIJMHXEDOGNJ-KNVOCYPGSA-N 1 1 245.681 1.798 20 10 BDCDMO CN1CC[N@@H+](Cc2ccccc2O)CCC1=O ZINC000827359433 587378390 /nfs/dbraw/zinc/37/83/90/587378390.db2.gz NUVHWGFOXHMYII-UHFFFAOYSA-N 1 1 234.299 1.056 20 10 BDCDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1O ZINC000827936908 587411112 /nfs/dbraw/zinc/41/11/12/587411112.db2.gz GFXAVRVJWSYUBU-GHMZBOCLSA-N 1 1 248.326 1.521 20 10 BDCDMO CC[N@@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840908261 587928649 /nfs/dbraw/zinc/92/86/49/587928649.db2.gz RDGDSXBYXVVFHC-UHFFFAOYSA-N 1 1 236.359 1.875 20 10 BDCDMO CC(C)[C@H]([NH3+])CNCc1ccccc1O ZINC000841028437 587936314 /nfs/dbraw/zinc/93/63/14/587936314.db2.gz FSFVBNFTKMMQAK-LLVKDONJSA-N 1 1 208.305 1.465 20 10 BDCDMO COc1cccc(CNCC(C)(C)[NH3+])c1O ZINC000841030381 587936432 /nfs/dbraw/zinc/93/64/32/587936432.db2.gz GUDAXTDKCYBUTG-UHFFFAOYSA-N 1 1 224.304 1.228 20 10 BDCDMO Cc1cccc(C[NH2+][C@H]2CCCNC2)c1O ZINC000841041673 587938598 /nfs/dbraw/zinc/93/85/98/587938598.db2.gz DIYYBWKVBKNBDE-LBPRGKRZSA-N 1 1 220.316 1.542 20 10 BDCDMO COCC[NH2+]CCNCc1cc(C)ccc1O ZINC000841048031 587938840 /nfs/dbraw/zinc/93/88/40/587938840.db2.gz KCCGELJIWHWMCE-UHFFFAOYSA-N 1 1 238.331 1.026 20 10 BDCDMO COCC[NH2+]CCNCc1cccc(C)c1O ZINC000841047491 587939168 /nfs/dbraw/zinc/93/91/68/587939168.db2.gz CNJHQJCHBKWSTH-UHFFFAOYSA-N 1 1 238.331 1.026 20 10 BDCDMO Oc1c(Cl)cccc1CN[C@H]1CC[NH2+]C1 ZINC000841044222 587939374 /nfs/dbraw/zinc/93/93/74/587939374.db2.gz BOAOGUSNEMZZIO-VIFPVBQESA-N 1 1 226.707 1.497 20 10 BDCDMO COc1ccc(C[NH2+][C@@H](C)CN)cc1C ZINC000841064281 587941124 /nfs/dbraw/zinc/94/11/24/587941124.db2.gz XXQRAPJQXZJGCP-JTQLQIEISA-N 1 1 208.305 1.440 20 10 BDCDMO CC[C@H](N)C[NH2+]Cc1cc(C)ccc1O ZINC000841072289 587941328 /nfs/dbraw/zinc/94/13/28/587941328.db2.gz NLGKSRGEWQLZCV-NSHDSACASA-N 1 1 208.305 1.528 20 10 BDCDMO CC[C@H]([NH3+])CNCc1cc(C)ccc1O ZINC000841072289 587941329 /nfs/dbraw/zinc/94/13/29/587941329.db2.gz NLGKSRGEWQLZCV-NSHDSACASA-N 1 1 208.305 1.528 20 10 BDCDMO CC[C@H]([NH3+])CNCc1cc(OC)ccc1O ZINC000841071967 587943756 /nfs/dbraw/zinc/94/37/56/587943756.db2.gz KOMSHJWRJUFASM-JTQLQIEISA-N 1 1 224.304 1.228 20 10 BDCDMO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1O ZINC000841077095 587943870 /nfs/dbraw/zinc/94/38/70/587943870.db2.gz ZFARDFFBOUIUCR-NXEZZACHSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cccc(CN[C@H](C)[C@@H](C)[NH3+])c1O ZINC000841077095 587943871 /nfs/dbraw/zinc/94/38/71/587943871.db2.gz ZFARDFFBOUIUCR-NXEZZACHSA-N 1 1 208.305 1.526 20 10 BDCDMO CCOc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000841079028 587944708 /nfs/dbraw/zinc/94/47/08/587944708.db2.gz VRPHOADZACWJSV-IMRBUKKESA-N 1 1 248.326 1.098 20 10 BDCDMO CN(CC[NH3+])Cc1cc(Cl)cc(F)c1O ZINC000841101659 587946416 /nfs/dbraw/zinc/94/64/16/587946416.db2.gz ZGDHMPVRGUUOFW-UHFFFAOYSA-N 1 1 232.686 1.575 20 10 BDCDMO C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1O ZINC000842472456 588029025 /nfs/dbraw/zinc/02/90/25/588029025.db2.gz YLVNBKKNBKNPGS-GFCCVEGCSA-N 1 1 234.343 1.824 20 10 BDCDMO [NH3+][C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000843046859 588075716 /nfs/dbraw/zinc/07/57/16/588075716.db2.gz GKTKVXAQNONLFJ-VIFPVBQESA-N 1 1 244.697 1.718 20 10 BDCDMO C[C@@H](C[NH3+])N(C)Cc1c(O)ccc(Cl)c1F ZINC000843053185 588076964 /nfs/dbraw/zinc/07/69/64/588076964.db2.gz YYDLQDPBHQJDMF-ZETCQYMHSA-N 1 1 246.713 1.964 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN[C@H](C)[C@H]2C)c1O ZINC000843058279 588077742 /nfs/dbraw/zinc/07/77/42/588077742.db2.gz QSMRZGWLHWAIGT-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN[C@H](C)[C@H]2C)c1O ZINC000843058279 588077744 /nfs/dbraw/zinc/07/77/44/588077744.db2.gz QSMRZGWLHWAIGT-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000844732487 588215160 /nfs/dbraw/zinc/21/51/60/588215160.db2.gz XXOVOXVKWIOGIF-UHFFFAOYSA-N 1 1 248.326 1.283 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000844732487 588215162 /nfs/dbraw/zinc/21/51/62/588215162.db2.gz XXOVOXVKWIOGIF-UHFFFAOYSA-N 1 1 248.326 1.283 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1O ZINC000848890284 588417933 /nfs/dbraw/zinc/41/79/33/588417933.db2.gz RMSDREBCBMOGIO-AWEZNQCLSA-N 1 1 235.327 1.911 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000848905977 588418690 /nfs/dbraw/zinc/41/86/90/588418690.db2.gz OTRSUNDXEVTQFS-GWCFXTLKSA-N 1 1 235.327 1.910 20 10 BDCDMO CCc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000848915275 588420390 /nfs/dbraw/zinc/42/03/90/588420390.db2.gz FFZZPBXSAKSMMD-SNVBAGLBSA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000848915275 588420391 /nfs/dbraw/zinc/42/03/91/588420391.db2.gz FFZZPBXSAKSMMD-SNVBAGLBSA-N 1 1 248.326 1.275 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1O)CC1(C)COC1 ZINC000862477655 589216463 /nfs/dbraw/zinc/21/64/63/589216463.db2.gz PCSKNHZCRZJJGQ-UHFFFAOYSA-N 1 1 239.290 2.000 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1O)CC1(C)COC1 ZINC000862477655 589216465 /nfs/dbraw/zinc/21/64/65/589216465.db2.gz PCSKNHZCRZJJGQ-UHFFFAOYSA-N 1 1 239.290 2.000 20 10 BDCDMO Cc1cccc(C[NH2+][C@H]2CC[C@H](C)NC2)c1O ZINC000863483820 589293179 /nfs/dbraw/zinc/29/31/79/589293179.db2.gz 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NRPMTUJUZYKKJV-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@H+](C)CC[C@H](C)O)c(O)c1 ZINC000876744763 590236088 /nfs/dbraw/zinc/23/60/88/590236088.db2.gz AQSVVNQBQSCULK-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(O)c1 ZINC000876754597 590238791 /nfs/dbraw/zinc/23/87/91/590238791.db2.gz UDEYTJKBFASBEZ-LBPRGKRZSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000876816399 590245979 /nfs/dbraw/zinc/24/59/79/590245979.db2.gz YIDGTCXQEBCHJU-LLVKDONJSA-N 1 1 234.299 1.021 20 10 BDCDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(N)cc1 ZINC000877077218 590278728 /nfs/dbraw/zinc/27/87/28/590278728.db2.gz ZMZJGBZCHJMWJR-LLVKDONJSA-N 1 1 247.342 1.573 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000877184001 590298420 /nfs/dbraw/zinc/29/84/20/590298420.db2.gz JYSGMWKGCRDJID-NEPJUHHUSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1 ZINC000877433084 590326745 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590395574 /nfs/dbraw/zinc/39/55/74/590395574.db2.gz KPLNNQWROGTTBX-UHFFFAOYSA-N 1 1 243.310 1.950 20 10 BDCDMO C[C@@H]([NH2+]Cc1cnon1)c1ccccc1O ZINC000879649425 590841335 /nfs/dbraw/zinc/84/13/35/590841335.db2.gz SLISKKVANAIERZ-MRVPVSSYSA-N 1 1 219.244 1.626 20 10 BDCDMO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](O)C1 ZINC000128163453 590916436 /nfs/dbraw/zinc/91/64/36/590916436.db2.gz GZXNRAUIGUCETK-QMMMGPOBSA-N 1 1 227.691 1.612 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880492139 591067609 /nfs/dbraw/zinc/06/76/09/591067609.db2.gz OCMQDRKTFLNGGV-OAHLLOKOSA-N 1 1 246.354 1.875 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880492138 591069371 /nfs/dbraw/zinc/06/93/71/591069371.db2.gz OCMQDRKTFLNGGV-HNNXBMFYSA-N 1 1 246.354 1.875 20 10 BDCDMO COCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886489568 592235681 /nfs/dbraw/zinc/23/56/81/592235681.db2.gz MBNWKAPWMGVZOG-MRVPVSSYSA-N 1 1 213.252 1.828 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000300046732 592501590 /nfs/dbraw/zinc/50/15/90/592501590.db2.gz ZEZXCMFAXGJTIF-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO C[C@H](CN)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000162066990 632507762 /nfs/dbraw/zinc/50/77/62/632507762.db2.gz HAMOAQSPXPDZFK-SNVBAGLBSA-N 1 1 220.316 1.448 20 10 BDCDMO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccccc1O ZINC000895117518 636065679 /nfs/dbraw/zinc/06/56/79/636065679.db2.gz VQQCMSYZAWLOIH-AXFHLTTASA-N 1 1 248.326 1.490 20 10 BDCDMO CN(C)c1ccc(CNC2CC([NH3+])C2)cc1F ZINC000906510162 638184108 /nfs/dbraw/zinc/18/41/08/638184108.db2.gz OOGUHHMDAUQHRL-UHFFFAOYSA-N 1 1 237.322 1.471 20 10 BDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000228356271 640872083 /nfs/dbraw/zinc/87/20/83/640872083.db2.gz QPOISAZZDOHLSD-GFCCVEGCSA-N 1 1 234.299 1.103 20 10 BDCDMO C[NH2+]CCCN(C)Cc1cc(C)ccc1O ZINC000087472124 640898586 /nfs/dbraw/zinc/89/85/86/640898586.db2.gz HGOPBOVCKMZUJB-UHFFFAOYSA-N 1 1 222.332 1.742 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1O ZINC000190045145 641831064 /nfs/dbraw/zinc/83/10/64/641831064.db2.gz JKRKDOHPOANPPD-JQWIXIFHSA-N 1 1 221.300 1.595 20 10 BDCDMO C[NH2+]CCCNCc1cc(OC)ccc1O ZINC000083353526 643435133 /nfs/dbraw/zinc/43/51/33/643435133.db2.gz HHDNLXLMJXDCTB-UHFFFAOYSA-N 1 1 224.304 1.100 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC000249873251 644743073 /nfs/dbraw/zinc/74/30/73/644743073.db2.gz GNGPUJGEVDVCBG-JOYOIKCWSA-N 1 1 239.290 1.734 20 10 BDCDMO Nc1ccc(CC[NH2+][C@@H]2C[C@H](N)C23CCC3)cc1 ZINC000925694724 646420653 /nfs/dbraw/zinc/42/06/53/646420653.db2.gz SLGPPVGATGFYNY-UONOGXRCSA-N 1 1 245.370 1.671 20 10 BDCDMO C[C@H](CCNCc1cc(F)ccc1O)[NH+](C)C ZINC000700470951 711993683 /nfs/dbraw/zinc/99/36/83/711993683.db2.gz HNDRDJJAFKGSIM-SNVBAGLBSA-N 1 1 240.322 1.961 20 10 BDCDMO CO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708413779 712193629 /nfs/dbraw/zinc/19/36/29/712193629.db2.gz NYOASLDNIJRXAA-SNVBAGLBSA-N 1 1 243.253 1.891 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708413779 712193631 /nfs/dbraw/zinc/19/36/31/712193631.db2.gz NYOASLDNIJRXAA-SNVBAGLBSA-N 1 1 243.253 1.891 20 10 BDCDMO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc(N(C)C)cc1 ZINC000398339438 711408491 /nfs/dbraw/zinc/40/84/91/711408491.db2.gz MHCPTCLRCJHTCD-JTQLQIEISA-N 1 1 245.330 1.722 20 10 BDCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000395404121 711694224 /nfs/dbraw/zinc/69/42/24/711694224.db2.gz BFNCFSKYSOZHKT-LBPRGKRZSA-N 1 1 248.326 1.302 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCOC1 ZINC000708444589 712195215 /nfs/dbraw/zinc/19/52/15/712195215.db2.gz SGDAWFUPJMYDPP-SNVBAGLBSA-N 1 1 243.253 1.939 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](N)C(C)(C)C2)c1 ZINC000720765987 712864676 /nfs/dbraw/zinc/86/46/76/712864676.db2.gz FQYRTJCAYIEBEK-ZDUSSCGKSA-N 1 1 234.343 1.870 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](N)C(C)(C)C2)c1 ZINC000720765987 712864677 /nfs/dbraw/zinc/86/46/77/712864677.db2.gz FQYRTJCAYIEBEK-ZDUSSCGKSA-N 1 1 234.343 1.870 20 10 BDCDMO C[C@]1(O)CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332327 978560751 /nfs/dbraw/zinc/56/07/51/978560751.db2.gz HGFOGIMJBCPKLG-LBPRGKRZSA-N 1 1 243.253 1.627 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233332327 978560759 /nfs/dbraw/zinc/56/07/59/978560759.db2.gz HGFOGIMJBCPKLG-LBPRGKRZSA-N 1 1 243.253 1.627 20 10 BDCDMO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001183280547 979796873 /nfs/dbraw/zinc/79/68/73/979796873.db2.gz IZRFHNDSWFVFBX-DKTWLAJQSA-N 1 1 241.718 1.906 20 10 BDCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](O)C1 ZINC000132493341 984048277 /nfs/dbraw/zinc/04/82/77/984048277.db2.gz NRNVTRCCILYACX-VIFPVBQESA-N 1 1 227.691 1.612 20 10 BDCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141162883 960418278 /nfs/dbraw/zinc/41/82/78/960418278.db2.gz IZBQERWGOYHEQY-LBPRGKRZSA-N 1 1 235.283 1.651 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744140 960545653 /nfs/dbraw/zinc/54/56/53/960545653.db2.gz NEABGEGJFTWXHG-LLVKDONJSA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1c(O)ccc(CN2CC[NH+](C)CC2)c1O ZINC001140741834 960546420 /nfs/dbraw/zinc/54/64/20/960546420.db2.gz DJWHYIRDRGLGLR-UHFFFAOYSA-N 1 1 236.315 1.154 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@]23CCOC3)c1O ZINC001140749967 960553037 /nfs/dbraw/zinc/55/30/37/960553037.db2.gz QGGMOSZTDUABQL-CQSZACIVSA-N 1 1 249.310 1.771 20 10 BDCDMO Cc1ccc(C[N@@H+](C)CC2COC2)c(O)c1 ZINC001140950905 960759556 /nfs/dbraw/zinc/75/95/56/960759556.db2.gz OPKPORHQFKZMMI-UHFFFAOYSA-N 1 1 221.300 1.779 20 10 BDCDMO CN1CCOc2cc(C[N@H+]3C[C@@H]4C[C@@H]4C3)ccc21 ZINC001141140371 960885763 /nfs/dbraw/zinc/88/57/63/960885763.db2.gz KZVXPDNJPRZKJN-BETUJISGSA-N 1 1 244.338 1.967 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156598 960889696 /nfs/dbraw/zinc/88/96/96/960889696.db2.gz OFKGXUMWAWJCGO-RNCFNFMXSA-N 1 1 237.299 1.301 20 10 BDCDMO C[C@H]1COCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141155955 960890624 /nfs/dbraw/zinc/89/06/24/960890624.db2.gz BXHQPRRJIQVXKR-VIFPVBQESA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@H]1COCC[N@H+]1Cc1cc(O)ccc1O ZINC001141155955 960890626 /nfs/dbraw/zinc/89/06/26/960890626.db2.gz BXHQPRRJIQVXKR-VIFPVBQESA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(O)ccc1O ZINC001141160433 960896313 /nfs/dbraw/zinc/89/63/13/960896313.db2.gz YIDPFZHELDBJGN-SKDRFNHKSA-N 1 1 237.299 1.443 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(O)CC1 ZINC001142502701 961461576 /nfs/dbraw/zinc/46/15/76/961461576.db2.gz UUFPMUBWXGYXQM-UHFFFAOYSA-N 1 1 243.253 1.627 20 10 BDCDMO Nc1ccc(CNc2cc[nH+]c(N)n2)cc1 ZINC001162786883 965168584 /nfs/dbraw/zinc/16/85/84/965168584.db2.gz BDUIPGFDGIOZLZ-UHFFFAOYSA-N 1 1 215.260 1.253 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(N)C2)c1O ZINC001236024881 966240163 /nfs/dbraw/zinc/24/01/63/966240163.db2.gz JSTRENNLUWTDNY-BXUZGUMPSA-N 1 1 232.327 1.542 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@]3(N)C2)c1O ZINC001236024881 966240179 /nfs/dbraw/zinc/24/01/79/966240179.db2.gz JSTRENNLUWTDNY-BXUZGUMPSA-N 1 1 232.327 1.542 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)C2CC2)c1 ZINC000179690819 966415136 /nfs/dbraw/zinc/41/51/36/966415136.db2.gz IGKHGOWHEJAJRH-UHFFFAOYSA-N 1 1 207.273 1.995 20 10 BDCDMO COc1cccc(C[N@@H+](C)CC2COC2)c1O ZINC001203596604 966699149 /nfs/dbraw/zinc/69/91/49/966699149.db2.gz LGRBFFYYMVJPIS-UHFFFAOYSA-N 1 1 237.299 1.479 20 10 BDCDMO COc1cccc(C[N@H+]2CCC[C@H]2C(C)=O)c1O ZINC001203602026 966699178 /nfs/dbraw/zinc/69/91/78/966699178.db2.gz XDJGGFSQEXOKSB-LBPRGKRZSA-N 1 1 249.310 1.954 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001203596865 966699408 /nfs/dbraw/zinc/69/94/08/966699408.db2.gz QAJDIQMFCFWLLL-PHIMTYICSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001203596865 966699418 /nfs/dbraw/zinc/69/94/18/966699418.db2.gz QAJDIQMFCFWLLL-PHIMTYICSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001203621897 966711272 /nfs/dbraw/zinc/71/12/72/966711272.db2.gz JPHJEOFBBVAULV-PHIMTYICSA-N 1 1 219.284 1.853 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001203678004 966733092 /nfs/dbraw/zinc/73/30/92/966733092.db2.gz FEFWPXUVVHMXNV-TXEJJXNPSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001203678004 966733106 /nfs/dbraw/zinc/73/31/06/966733106.db2.gz FEFWPXUVVHMXNV-TXEJJXNPSA-N 1 1 235.283 1.374 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1O ZINC001203875300 966806688 /nfs/dbraw/zinc/80/66/88/966806688.db2.gz KMKYDWJQKLGXHM-NSHDSACASA-N 1 1 237.299 1.445 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@](C)(CO)C2)cc1 ZINC001203929429 966823698 /nfs/dbraw/zinc/82/36/98/966823698.db2.gz CMJKZYQKMKXKPZ-HNNXBMFYSA-N 1 1 248.370 1.957 20 10 BDCDMO Oc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001204275036 966952434 /nfs/dbraw/zinc/95/24/34/966952434.db2.gz MBXDUPXUABZDLZ-GFCCVEGCSA-N 1 1 248.326 1.378 20 10 BDCDMO CN1CC[C@H]([N@@H+](C)Cc2ccc(O)cc2O)C1 ZINC001204278681 966958338 /nfs/dbraw/zinc/95/83/38/966958338.db2.gz IATHZTUFKAXFES-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO CN(Cc1ccc(O)cc1O)[C@H]1CC[N@H+](C)C1 ZINC001204278681 966958352 /nfs/dbraw/zinc/95/83/52/966958352.db2.gz IATHZTUFKAXFES-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO CN(Cc1ccc(O)cc1O)[C@H]1CC[N@@H+](C)C1 ZINC001204278681 966958358 /nfs/dbraw/zinc/95/83/58/966958358.db2.gz IATHZTUFKAXFES-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001204277305 966958652 /nfs/dbraw/zinc/95/86/52/966958652.db2.gz YMIQGBXUMPCNRS-PHIMTYICSA-N 1 1 247.294 1.794 20 10 BDCDMO CC1(C)C[N@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204277811 966958799 /nfs/dbraw/zinc/95/87/99/966958799.db2.gz BBQMLRXJTQOOAD-UHFFFAOYSA-N 1 1 249.310 1.899 20 10 BDCDMO CC1(C)C[N@@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204277811 966958802 /nfs/dbraw/zinc/95/88/02/966958802.db2.gz BBQMLRXJTQOOAD-UHFFFAOYSA-N 1 1 249.310 1.899 20 10 BDCDMO COC(C[N@H+]1CCc2cccc(O)c2C1)OC ZINC001207255748 968697945 /nfs/dbraw/zinc/69/79/45/968697945.db2.gz KMADUEPDUHVFPZ-UHFFFAOYSA-N 1 1 237.299 1.369 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2CCCC23CC3)c(O)c1 ZINC001144499200 972848145 /nfs/dbraw/zinc/84/81/45/972848145.db2.gz DYMOVVDSKVYFBB-UHFFFAOYSA-N 1 1 235.283 1.932 20 10 BDCDMO C[N@@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCOC1 ZINC001144509000 972858696 /nfs/dbraw/zinc/85/86/96/972858696.db2.gz GXTSEBFSJDGPRN-QMMMGPOBSA-N 1 1 239.271 1.024 20 10 BDCDMO C[C@H](Cn1cccn1)[NH2+]Cc1c(O)cccc1F ZINC001335117910 976855198 /nfs/dbraw/zinc/85/51/98/976855198.db2.gz XPAVCUWPAGGKPK-SNVBAGLBSA-N 1 1 249.289 1.906 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC001231591282 977641428 /nfs/dbraw/zinc/64/14/28/977641428.db2.gz ZCWIDGXZBDXPQQ-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(C[NH+]2CC3(CCO3)C2)c1O ZINC001231593525 977641517 /nfs/dbraw/zinc/64/15/17/977641517.db2.gz JJKGGWLJFWCEHS-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO COc1cc(C[N@H+](C)CC(C)=O)c(O)cc1O ZINC001231633847 977651420 /nfs/dbraw/zinc/65/14/20/977651420.db2.gz AGESIERZCZROME-UHFFFAOYSA-N 1 1 239.271 1.127 20 10 BDCDMO COc1cc(C[N@@H+](C)CC(C)=O)c(O)cc1O ZINC001231633847 977651426 /nfs/dbraw/zinc/65/14/26/977651426.db2.gz AGESIERZCZROME-UHFFFAOYSA-N 1 1 239.271 1.127 20 10 BDCDMO Nc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC001337838769 978523891 /nfs/dbraw/zinc/52/38/91/978523891.db2.gz SYURHIBVAHDHMI-LBPRGKRZSA-N 1 1 218.300 1.226 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000773752087 978591867 /nfs/dbraw/zinc/59/18/67/978591867.db2.gz HVLWIQKJBMJONB-AWEZNQCLSA-N 1 1 248.370 1.957 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487884 978612220 /nfs/dbraw/zinc/61/22/20/978612220.db2.gz VKJROYZWZMXOAU-VIFPVBQESA-N 1 1 239.271 1.024 20 10 BDCDMO CC[C@H]1CNCC[N@@H+]1Cc1ccc(N)cc1 ZINC001235775399 979148855 /nfs/dbraw/zinc/14/88/55/979148855.db2.gz WUTQBZFHFJFNAN-ZDUSSCGKSA-N 1 1 219.332 1.453 20 10 BDCDMO CC[C@H]1CNCC[N@H+]1Cc1ccc(N)cc1 ZINC001235775399 979148862 /nfs/dbraw/zinc/14/88/62/979148862.db2.gz WUTQBZFHFJFNAN-ZDUSSCGKSA-N 1 1 219.332 1.453 20 10 BDCDMO Cc1ccc(C[NH+]2C[C@H](C)N[C@@H](C)C2)c(O)c1 ZINC001236580430 979654537 /nfs/dbraw/zinc/65/45/37/979654537.db2.gz ZRAOJYKUMQMEJC-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO CCc1ccc(C[N@H+]2CCNC(=O)CC2)c(O)c1 ZINC001236784354 979731156 /nfs/dbraw/zinc/73/11/56/979731156.db2.gz VDCXAMKQISRYCH-UHFFFAOYSA-N 1 1 248.326 1.277 20 10 BDCDMO CCc1ccc(C[N@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001236784311 979731490 /nfs/dbraw/zinc/73/14/90/979731490.db2.gz UNXZWRJXELNHEH-ZDUSSCGKSA-N 1 1 235.327 1.911 20 10 BDCDMO CCc1ccc(C[N@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001236790412 979741608 /nfs/dbraw/zinc/74/16/08/979741608.db2.gz WXCUDCLBFSWJJW-GFCCVEGCSA-N 1 1 235.327 1.769 20 10 BDCDMO Nc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237410099 979885101 /nfs/dbraw/zinc/88/51/01/979885101.db2.gz BJLVEFHMFJTGGD-ZFWWWQNUSA-N 1 1 245.370 1.843 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCn2nccc2C1 ZINC001237494183 979914506 /nfs/dbraw/zinc/91/45/06/979914506.db2.gz GCFOZIPIHKJUSG-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCn2nccc2C1 ZINC001237494183 979914498 /nfs/dbraw/zinc/91/44/98/979914498.db2.gz GCFOZIPIHKJUSG-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001238056319 980134851 /nfs/dbraw/zinc/13/48/51/980134851.db2.gz GWVRLZDCIBEEGF-WDEREUQCSA-N 1 1 243.253 1.354 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001238056319 980134859 /nfs/dbraw/zinc/13/48/59/980134859.db2.gz GWVRLZDCIBEEGF-WDEREUQCSA-N 1 1 243.253 1.354 20 10 BDCDMO COCc1cc(C[NH2+]Cc2ccc(N)cc2)no1 ZINC001579091397 985713642 /nfs/dbraw/zinc/71/36/42/985713642.db2.gz MTFWBCVGYCKQNF-UHFFFAOYSA-N 1 1 247.298 1.693 20 10 BDCDMO OCCCOCC[NH2+]Cc1cccc(F)c1O ZINC001462225995 986318299 /nfs/dbraw/zinc/31/82/99/986318299.db2.gz PQMMEPWZVIPSKW-UHFFFAOYSA-N 1 1 243.278 1.020 20 10 BDCDMO C[C@H]1C[C@H](NCc2ccc(N)cc2)CC[NH2+]1 ZINC001246168547 987533780 /nfs/dbraw/zinc/53/37/80/987533780.db2.gz FKPTUKBFTVHBBK-GXFFZTMASA-N 1 1 219.332 1.499 20 10 BDCDMO C[NH2+]C[C@H](C)CNCc1ccc2c(c1)CCO2 ZINC001118020720 987986684 /nfs/dbraw/zinc/98/66/84/987986684.db2.gz XQOHDPGXWNUQDV-NSHDSACASA-N 1 1 234.343 1.567 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001137831506 990853199 /nfs/dbraw/zinc/85/31/99/990853199.db2.gz CAHWFUCTTCCTKP-PWSUYJOCSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001137831506 990853203 /nfs/dbraw/zinc/85/32/03/990853203.db2.gz CAHWFUCTTCCTKP-PWSUYJOCSA-N 1 1 243.253 1.436 20 10 BDCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137833124 990855699 /nfs/dbraw/zinc/85/56/99/990855699.db2.gz UHUMDEOALBXESY-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1O ZINC001137833124 990855700 /nfs/dbraw/zinc/85/57/00/990855700.db2.gz UHUMDEOALBXESY-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO OC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137833020 990856548 /nfs/dbraw/zinc/85/65/48/990856548.db2.gz PXAJVRGRMCKPQC-VIFPVBQESA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137833020 990856553 /nfs/dbraw/zinc/85/65/53/990856553.db2.gz PXAJVRGRMCKPQC-VIFPVBQESA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1cccc(F)c1C[NH+]1CCC(O)CC1 ZINC001137832013 990857929 /nfs/dbraw/zinc/85/79/29/990857929.db2.gz XAORFBIYSLUJSB-UHFFFAOYSA-N 1 1 225.263 1.488 20 10 BDCDMO C/C=C\C[C@H](CO)[NH2+]Cc1cccc(F)c1O ZINC001308710334 991105700 /nfs/dbraw/zinc/10/57/00/991105700.db2.gz FOQMKNMIUZVGTQ-OTDNITJGSA-N 1 1 239.290 1.948 20 10 BDCDMO COC(=O)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140057626 991507571 /nfs/dbraw/zinc/50/75/71/991507571.db2.gz IKEDVORPTLGNOU-UHFFFAOYSA-N 1 1 239.246 1.136 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCC23COC3)c1O ZINC001140182256 991555348 /nfs/dbraw/zinc/55/53/48/991555348.db2.gz MTFUTYVUBLHIOU-UHFFFAOYSA-N 1 1 233.311 1.984 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000011727391 342842752 /nfs/dbraw/zinc/84/27/52/342842752.db2.gz TWCAYHROZDSMHW-CQSZACIVSA-N 1 1 234.343 1.709 20 10 BDCDMO CCC[N@@H+](CC(N)=O)Cc1ccccc1O ZINC000060378116 345772286 /nfs/dbraw/zinc/77/22/86/345772286.db2.gz VEPXPZNZQOKMMO-UHFFFAOYSA-N 1 1 222.288 1.090 20 10 BDCDMO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293927974 187363297 /nfs/dbraw/zinc/36/32/97/187363297.db2.gz HDIVWLXCDVBFIZ-LLVKDONJSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293927974 187363298 /nfs/dbraw/zinc/36/32/98/187363298.db2.gz HDIVWLXCDVBFIZ-LLVKDONJSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293927974 187363300 /nfs/dbraw/zinc/36/33/00/187363300.db2.gz HDIVWLXCDVBFIZ-LLVKDONJSA-N 1 1 239.290 1.878 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000183374410 179077057 /nfs/dbraw/zinc/07/70/57/179077057.db2.gz BBTFGSMVRPAYQQ-LBPRGKRZSA-N 1 1 248.326 1.398 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195009717 347439302 /nfs/dbraw/zinc/43/93/02/347439302.db2.gz LKXXWLYXCOJVOG-CQSZACIVSA-N 1 1 249.310 1.384 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195009717 347439303 /nfs/dbraw/zinc/43/93/03/347439303.db2.gz LKXXWLYXCOJVOG-CQSZACIVSA-N 1 1 249.310 1.384 20 10 BDCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)CO ZINC000292678206 352326713 /nfs/dbraw/zinc/32/67/13/352326713.db2.gz ALUABBIVVCQILI-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000155066235 181281134 /nfs/dbraw/zinc/28/11/34/181281134.db2.gz AXLMESDZKPNYKB-NSHDSACASA-N 1 1 234.299 1.090 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCCOCC2)c1 ZINC000134188107 358781635 /nfs/dbraw/zinc/78/16/35/358781635.db2.gz OAGRFEBBKUCVPZ-UHFFFAOYSA-N 1 1 237.299 1.623 20 10 BDCDMO CC[C@@H]([NH2+][C@H](C)CO)c1ccc(F)cc1O ZINC000285960520 359336368 /nfs/dbraw/zinc/33/63/68/359336368.db2.gz GPDUZKMPVIDDQG-LDYMZIIASA-N 1 1 227.279 1.953 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000164784535 183121261 /nfs/dbraw/zinc/12/12/61/183121261.db2.gz CCQPFHFRXMZFKI-NSHDSACASA-N 1 1 207.273 1.349 20 10 BDCDMO OC[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272344925 183153550 /nfs/dbraw/zinc/15/35/50/183153550.db2.gz ZIZQXGOCSHAHHU-VIFPVBQESA-N 1 1 225.263 1.346 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272344925 183153552 /nfs/dbraw/zinc/15/35/52/183153552.db2.gz ZIZQXGOCSHAHHU-VIFPVBQESA-N 1 1 225.263 1.346 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCO1 ZINC000083353911 183255333 /nfs/dbraw/zinc/25/53/33/183255333.db2.gz GVOFNLVPAAXQGZ-SNVBAGLBSA-N 1 1 225.263 1.800 20 10 BDCDMO CCC[N@@H+](CCO)Cc1cccc(OC)c1O ZINC000161222010 169166335 /nfs/dbraw/zinc/16/63/35/169166335.db2.gz WKMXEDXHNZFUNH-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO CCC[N@@H+](CCO)Cc1cc(OC)ccc1O ZINC000271823052 169167320 /nfs/dbraw/zinc/16/73/20/169167320.db2.gz PONQKHNJLWIEJH-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000071269114 384159191 /nfs/dbraw/zinc/15/91/91/384159191.db2.gz YHVRXFCUVHGRRE-SCZZXKLOSA-N 1 1 243.278 1.189 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000093050556 384207186 /nfs/dbraw/zinc/20/71/86/384207186.db2.gz HFFCISUIIAOTNF-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093050556 384207190 /nfs/dbraw/zinc/20/71/90/384207190.db2.gz HFFCISUIIAOTNF-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000133009132 384266098 /nfs/dbraw/zinc/26/60/98/384266098.db2.gz VQZHUPKVSXKXMG-UHFFFAOYSA-N 1 1 236.315 1.396 20 10 BDCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000102675119 384721499 /nfs/dbraw/zinc/72/14/99/384721499.db2.gz BPEXYJDRDCUKRF-UHFFFAOYSA-N 1 1 249.358 1.273 20 10 BDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179555078 385472365 /nfs/dbraw/zinc/47/23/65/385472365.db2.gz VUTHKMSGQMVWDT-LBPRGKRZSA-N 1 1 249.310 1.777 20 10 BDCDMO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000280895399 385615651 /nfs/dbraw/zinc/61/56/51/385615651.db2.gz PGXTZDQAQQVUDM-JTQLQIEISA-N 1 1 237.299 1.694 20 10 BDCDMO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1O ZINC000280895399 385615654 /nfs/dbraw/zinc/61/56/54/385615654.db2.gz PGXTZDQAQQVUDM-JTQLQIEISA-N 1 1 237.299 1.694 20 10 BDCDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccccc1O ZINC000185225763 385724560 /nfs/dbraw/zinc/72/45/60/385724560.db2.gz ZTYJFTVAIDKKCO-HWPZZCPQSA-N 1 1 241.356 1.591 20 10 BDCDMO C[N@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000294905691 386692343 /nfs/dbraw/zinc/69/23/43/386692343.db2.gz MWPPTBDJNBWVMM-UHFFFAOYSA-N 1 1 233.670 1.609 20 10 BDCDMO C[N@@H+](CCO)Cc1cc(Cl)c(F)cc1O ZINC000294905691 386692350 /nfs/dbraw/zinc/69/23/50/386692350.db2.gz MWPPTBDJNBWVMM-UHFFFAOYSA-N 1 1 233.670 1.609 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368135266 386946934 /nfs/dbraw/zinc/94/69/34/386946934.db2.gz PDZODWCSPJRYLS-NSHDSACASA-N 1 1 248.326 1.398 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000111235624 387366405 /nfs/dbraw/zinc/36/64/05/387366405.db2.gz FQXUJVDNVKZTOZ-LLVKDONJSA-N 1 1 221.300 1.861 20 10 BDCDMO c1nc(CC[NH2+]Cc2ccc3c(c2)CCO3)n[nH]1 ZINC000080574367 387998523 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/nfs/dbraw/zinc/25/70/82/175257082.db2.gz UTVSYNGBFINARB-UHFFFAOYSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1cccc(C[N@@H+](C2CC2)C2COC2)c1O ZINC000296134680 175257084 /nfs/dbraw/zinc/25/70/84/175257084.db2.gz UTVSYNGBFINARB-UHFFFAOYSA-N 1 1 249.310 1.764 20 10 BDCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)[C@@H]1CO ZINC000276698732 176175503 /nfs/dbraw/zinc/17/55/03/176175503.db2.gz DVEGQJLXCCQCET-BXKDBHETSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@@H]1CO ZINC000276698732 176175505 /nfs/dbraw/zinc/17/55/05/176175505.db2.gz DVEGQJLXCCQCET-BXKDBHETSA-N 1 1 239.290 1.734 20 10 BDCDMO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccccc1O)C2 ZINC000857226540 588895942 /nfs/dbraw/zinc/89/59/42/588895942.db2.gz QUCPGBJOYHLZPH-GXTWGEPZSA-N 1 1 232.327 1.705 20 10 BDCDMO C[C@@H](O)C1([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000895334444 583652894 /nfs/dbraw/zinc/65/28/94/583652894.db2.gz GRPGOQGRQAIIHU-SSDOTTSWSA-N 1 1 243.253 1.673 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895655205 583701324 /nfs/dbraw/zinc/70/13/24/583701324.db2.gz UYCMPVIYGBNEDV-TZMCWYRMSA-N 1 1 233.311 1.521 20 10 BDCDMO CN1C[C@@H]([N@@H+](C)Cc2ccccc2O)CCC1=O ZINC000862429002 583962595 /nfs/dbraw/zinc/96/25/95/583962595.db2.gz ZIUWNUDJQDSKQT-LBPRGKRZSA-N 1 1 248.326 1.445 20 10 BDCDMO Cc1noc([C@H](C)[NH2+]Cc2ccccc2O)n1 ZINC000729684955 584022396 /nfs/dbraw/zinc/02/23/96/584022396.db2.gz YTFPXCIDFURLQN-QMMMGPOBSA-N 1 1 233.271 1.934 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000897681306 584039570 /nfs/dbraw/zinc/03/95/70/584039570.db2.gz QTPLAMHWUUHTPT-PRHODGIISA-N 1 1 225.263 1.344 20 10 BDCDMO COc1cccc(O)c1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897684683 584039999 /nfs/dbraw/zinc/03/99/99/584039999.db2.gz VDMZRTZDZTXBSP-CABZTGNLSA-N 1 1 237.299 1.213 20 10 BDCDMO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccccc1O ZINC000841059061 584125774 /nfs/dbraw/zinc/12/57/74/584125774.db2.gz LHRFRMQUBYLLIB-PWSUYJOCSA-N 1 1 220.316 1.480 20 10 BDCDMO C[C@@H]([NH2+]CC1(N)CC1)c1ccc(N(C)C)cc1 ZINC000902417545 584590988 /nfs/dbraw/zinc/59/09/88/584590988.db2.gz SOSLMENBZHGGKN-LLVKDONJSA-N 1 1 233.359 1.895 20 10 BDCDMO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC1 ZINC000768443866 585538830 /nfs/dbraw/zinc/53/88/30/585538830.db2.gz VLPMLVLWMJPDGX-CYBMUJFWSA-N 1 1 249.310 1.660 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000773819061 585644644 /nfs/dbraw/zinc/64/46/44/585644644.db2.gz OBLFKLCHNAKRMB-DOMZBBRYSA-N 1 1 248.370 1.955 20 10 BDCDMO CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775647992 585682464 /nfs/dbraw/zinc/68/24/64/585682464.db2.gz LFVUKDHNWDRUAN-UHFFFAOYSA-N 1 1 247.386 1.890 20 10 BDCDMO CC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775647992 585682465 /nfs/dbraw/zinc/68/24/65/585682465.db2.gz LFVUKDHNWDRUAN-UHFFFAOYSA-N 1 1 247.386 1.890 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)CO ZINC000809745132 586516694 /nfs/dbraw/zinc/51/66/94/586516694.db2.gz DDOOZHSCTKEYTQ-SECBINFHSA-N 1 1 225.288 1.213 20 10 BDCDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)C2CC2)c1O ZINC000809753134 586517987 /nfs/dbraw/zinc/51/79/87/586517987.db2.gz ZTMOTTLEOGNJLE-CYBMUJFWSA-N 1 1 235.327 1.903 20 10 BDCDMO COC1(C)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000813332429 586600340 /nfs/dbraw/zinc/60/03/40/586600340.db2.gz ZQHRPSKUPUSSGU-UHFFFAOYSA-N 1 1 234.343 1.973 20 10 BDCDMO C[N@@H+](CC(N)=O)Cc1ccc2ccccc2c1O ZINC000816484602 586736358 /nfs/dbraw/zinc/73/63/58/586736358.db2.gz IQWYJEOWHUXCNF-UHFFFAOYSA-N 1 1 244.294 1.463 20 10 BDCDMO COCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528949 586738273 /nfs/dbraw/zinc/73/82/73/586738273.db2.gz ZLGYXVPBZYOHOH-UHFFFAOYSA-N 1 1 233.670 1.921 20 10 BDCDMO C[NH2+]CCN[C@H](C)c1cc(F)cc(F)c1O ZINC000817953199 586848723 /nfs/dbraw/zinc/84/87/23/586848723.db2.gz WWQAKSGXIQXFOQ-SSDOTTSWSA-N 1 1 230.258 1.540 20 10 BDCDMO CNCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817952650 586848959 /nfs/dbraw/zinc/84/89/59/586848959.db2.gz RZBKCELBNXOGHL-SNVBAGLBSA-N 1 1 206.289 1.189 20 10 BDCDMO C[C@@H](NC1C[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817956115 586849688 /nfs/dbraw/zinc/84/96/88/586849688.db2.gz QXRHFSCZKXVYCS-ZCFIWIBFSA-N 1 1 228.242 1.293 20 10 BDCDMO Cc1ccc([C@@H](C)NCC(F)(F)C[NH3+])c(O)c1 ZINC000817966258 586854574 /nfs/dbraw/zinc/85/45/74/586854574.db2.gz JTDKPHLMQSGJRD-SECBINFHSA-N 1 1 244.285 1.945 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(F)cc(F)c1O ZINC000818358049 586889328 /nfs/dbraw/zinc/88/93/28/586889328.db2.gz QCRNKLYOLHIIND-MQOMDTIOSA-N 1 1 243.253 1.844 20 10 BDCDMO OC/C=C\C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826941302 587366296 /nfs/dbraw/zinc/36/62/96/587366296.db2.gz HXLJXGSXTJFGGA-UPHRSURJSA-N 1 1 245.681 1.823 20 10 BDCDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000827284722 587375239 /nfs/dbraw/zinc/37/52/39/587375239.db2.gz VWWDKNPTSINGSL-GXTWGEPZSA-N 1 1 233.311 1.861 20 10 BDCDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000827284724 587375331 /nfs/dbraw/zinc/37/53/31/587375331.db2.gz VWWDKNPTSINGSL-OCCSQVGLSA-N 1 1 233.311 1.861 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C=O)CC2)c1 ZINC000827872496 587406161 /nfs/dbraw/zinc/40/61/61/587406161.db2.gz VYCBJVZOCJEVTF-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO Oc1ccc(Cl)c(F)c1CN[C@@H]1CC[NH2+]C1 ZINC000841045051 587939016 /nfs/dbraw/zinc/93/90/16/587939016.db2.gz MHQWMMGABDFHOP-SSDOTTSWSA-N 1 1 244.697 1.636 20 10 BDCDMO CCOc1cccc(C[NH2+][C@@H](C)CN)c1O ZINC000841063204 587941272 /nfs/dbraw/zinc/94/12/72/587941272.db2.gz JYCGMTQGPCZUOA-VIFPVBQESA-N 1 1 224.304 1.228 20 10 BDCDMO C[C@H](CN)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841061494 587941392 /nfs/dbraw/zinc/94/13/92/587941392.db2.gz ZLKRYKFIDBVGJG-QMAVJUDZSA-N 1 1 233.359 1.703 20 10 BDCDMO Oc1ccc(F)cc1CNCCC[NH2+]C1CC1 ZINC000841091593 587946509 /nfs/dbraw/zinc/94/65/09/587946509.db2.gz BGJDOHXKVSAOAR-UHFFFAOYSA-N 1 1 238.306 1.763 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2[C@H](C)CNC[C@@H]2C)c1 ZINC000843066378 588078615 /nfs/dbraw/zinc/07/86/15/588078615.db2.gz VXOJVYTXLPHANH-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2[C@H](C)CNC[C@@H]2C)c1 ZINC000843066378 588078617 /nfs/dbraw/zinc/07/86/17/588078617.db2.gz VXOJVYTXLPHANH-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO CCc1cccc(C[N@@H+](C)[C@@H](C)CO)c1O ZINC000848909908 588419058 /nfs/dbraw/zinc/41/90/58/588419058.db2.gz CNEADEASHCGXNO-JTQLQIEISA-N 1 1 223.316 1.767 20 10 BDCDMO NC(=[NH2+])NCc1cccc(Br)c1O ZINC000849105561 588452771 /nfs/dbraw/zinc/45/27/71/588452771.db2.gz UWKHUEWSLWHHNA-UHFFFAOYSA-N 1 1 244.092 1.138 20 10 BDCDMO Cc1ccc(C[N@H+](CC(N)=O)C(C)C)c(O)c1 ZINC000876539848 590212337 /nfs/dbraw/zinc/21/23/37/590212337.db2.gz RAGNNESGULCSSU-UHFFFAOYSA-N 1 1 236.315 1.396 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CC(=O)N(C)C ZINC000876541896 590212751 /nfs/dbraw/zinc/21/27/51/590212751.db2.gz LNZNADBVZSJACV-UHFFFAOYSA-N 1 1 236.315 1.221 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877184004 590298657 /nfs/dbraw/zinc/29/86/57/590298657.db2.gz JYSGMWKGCRDJID-VXGBXAGGSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CC1(CO)CC1 ZINC000877461393 590331246 /nfs/dbraw/zinc/33/12/46/590331246.db2.gz FINLKHHATPSHTC-UHFFFAOYSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c(O)c1 ZINC000877468069 590334426 /nfs/dbraw/zinc/33/44/26/590334426.db2.gz YCMCPUSIMCDOAG-CMPLNLGQSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000877485762 590338407 /nfs/dbraw/zinc/33/84/07/590338407.db2.gz GHVFELUUMLFOQX-ZDUSSCGKSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)CCCO ZINC000877499179 590341733 /nfs/dbraw/zinc/34/17/33/590341733.db2.gz MBNQDTFPOIJNBO-UHFFFAOYSA-N 1 1 209.289 1.515 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CCN(C)C ZINC000877523356 590346543 /nfs/dbraw/zinc/34/65/43/590346543.db2.gz ITAIBVLYFDEWLG-UHFFFAOYSA-N 1 1 222.332 1.694 20 10 BDCDMO Cc1cccc(O)c1CN(C)CC[NH+](C)C ZINC000877523356 590346546 /nfs/dbraw/zinc/34/65/46/590346546.db2.gz ITAIBVLYFDEWLG-UHFFFAOYSA-N 1 1 222.332 1.694 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC000877547290 590352705 /nfs/dbraw/zinc/35/27/05/590352705.db2.gz SIWYJZDPLAGJLY-GXTWGEPZSA-N 1 1 246.354 1.837 20 10 BDCDMO CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)CO ZINC000877552139 590354878 /nfs/dbraw/zinc/35/48/78/590354878.db2.gz KVLQNNDNNXBQSW-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877594946 590369883 /nfs/dbraw/zinc/36/98/83/590369883.db2.gz NHORIXABKCUYAG-ZDUSSCGKSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@@H](C)CCO)c(O)c1 ZINC000877615533 590375242 /nfs/dbraw/zinc/37/52/42/590375242.db2.gz SOWNAMNWWHHBIZ-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)Cc1cn(C)nn1 ZINC000877630713 590378113 /nfs/dbraw/zinc/37/81/13/590378113.db2.gz KEXVSEVPKRDQMT-UHFFFAOYSA-N 1 1 246.314 1.461 20 10 BDCDMO C[N@@H+]1CC[C@H]2CN(Cc3ccccc3O)CC[C@@H]21 ZINC000877742723 590408222 /nfs/dbraw/zinc/40/82/22/590408222.db2.gz GCUHFCBXDZEHPR-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3ccccc3O)CC[C@@H]21 ZINC000877742723 590408225 /nfs/dbraw/zinc/40/82/25/590408225.db2.gz GCUHFCBXDZEHPR-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1O ZINC000126769759 590442090 /nfs/dbraw/zinc/44/20/90/590442090.db2.gz DGUZVOCCOSGBTH-GHMZBOCLSA-N 1 1 220.316 1.561 20 10 BDCDMO C[C@@H]([NH2+]C[C@H](C)O)c1c(O)cccc1F ZINC000886487783 592235202 /nfs/dbraw/zinc/23/52/02/592235202.db2.gz VDUUPKHKFHSWFY-JGVFFNPUSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@H]([NH2+]C/C=C/CO)c1c(O)cccc1F ZINC000886636070 592284261 /nfs/dbraw/zinc/28/42/61/592284261.db2.gz FSWKWNILDIJVJU-HPOULIHZSA-N 1 1 225.263 1.730 20 10 BDCDMO CO[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000300045463 592501527 /nfs/dbraw/zinc/50/15/27/592501527.db2.gz LGLYVVPMWSYTRL-SNVBAGLBSA-N 1 1 225.263 1.752 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000300045463 592501529 /nfs/dbraw/zinc/50/15/29/592501529.db2.gz LGLYVVPMWSYTRL-SNVBAGLBSA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1CN ZINC000252219791 635641627 /nfs/dbraw/zinc/64/16/27/635641627.db2.gz YSGNHAYMMQYRNB-YPMHNXCESA-N 1 1 234.343 1.951 20 10 BDCDMO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccccc1O ZINC000782047300 632469709 /nfs/dbraw/zinc/46/97/09/632469709.db2.gz AALLBSBGAWJOHO-CYBMUJFWSA-N 1 1 249.310 1.776 20 10 BDCDMO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1O ZINC000782047300 632469719 /nfs/dbraw/zinc/46/97/19/632469719.db2.gz AALLBSBGAWJOHO-CYBMUJFWSA-N 1 1 249.310 1.776 20 10 BDCDMO c1cc(CNC[C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000258987916 635231862 /nfs/dbraw/zinc/23/18/62/635231862.db2.gz LNNPDHRPPNAGCV-CYBMUJFWSA-N 1 1 246.354 1.711 20 10 BDCDMO [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000906507836 638180133 /nfs/dbraw/zinc/18/01/33/638180133.db2.gz FLLLINRNVSXBRS-MGCOHNPYSA-N 1 1 226.707 1.625 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2cn(C)nn2)cc1 ZINC000054858938 640417001 /nfs/dbraw/zinc/41/70/01/640417001.db2.gz BAVAWPGPMNBKLO-UHFFFAOYSA-N 1 1 245.330 1.171 20 10 BDCDMO COc1cccc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC000156098378 641593471 /nfs/dbraw/zinc/59/34/71/641593471.db2.gz RGSFCADSDADLGF-NSHDSACASA-N 1 1 237.299 1.622 20 10 BDCDMO COC(OC)[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000158776149 641650869 /nfs/dbraw/zinc/65/08/69/641650869.db2.gz WKPNOXKJKSXIIL-MRVPVSSYSA-N 1 1 243.278 1.628 20 10 BDCDMO CSCC[NH2+]Cc1cccc(F)c1O ZINC000159152649 641668217 /nfs/dbraw/zinc/66/82/17/641668217.db2.gz FCXPIKRYESCEOW-UHFFFAOYSA-N 1 1 215.293 1.984 20 10 BDCDMO COCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190673844 641879589 /nfs/dbraw/zinc/87/95/89/641879589.db2.gz LVGIONRGYWRZPQ-UHFFFAOYSA-N 1 1 233.670 1.921 20 10 BDCDMO COc1ccc(O)c(C[NH2+]Cc2c[nH]cn2)c1 ZINC000078749253 641950815 /nfs/dbraw/zinc/95/08/15/641950815.db2.gz HRWJRGWRGMJLMJ-UHFFFAOYSA-N 1 1 233.271 1.414 20 10 BDCDMO C[C@@H]1CN[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000083117997 644400021 /nfs/dbraw/zinc/40/00/21/644400021.db2.gz QNEFQDUMHVTGAF-WDEREUQCSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1CN[C@@H](C)C[N@H+]1Cc1ccccc1O ZINC000083117997 644400026 /nfs/dbraw/zinc/40/00/26/644400026.db2.gz QNEFQDUMHVTGAF-WDEREUQCSA-N 1 1 220.316 1.574 20 10 BDCDMO CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1O ZINC000308320683 711521956 /nfs/dbraw/zinc/52/19/56/711521956.db2.gz YIEVKUXWHASGPG-UHFFFAOYSA-N 1 1 240.278 1.099 20 10 BDCDMO OCCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484326 712185742 /nfs/dbraw/zinc/18/57/42/712185742.db2.gz GQCGORDLUUBPFB-UHFFFAOYSA-N 1 1 245.269 1.923 20 10 BDCDMO C[C@@H]1NCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000379445588 712385117 /nfs/dbraw/zinc/38/51/17/712385117.db2.gz WWYVHIASCSBOMC-QWRGUYRKSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1NCC[N@@H+](Cc2ccccc2O)[C@H]1C ZINC000379445588 712385118 /nfs/dbraw/zinc/38/51/18/712385118.db2.gz WWYVHIASCSBOMC-QWRGUYRKSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H](CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394181 712193063 /nfs/dbraw/zinc/19/30/63/712193063.db2.gz RCNQAADKFGWHGR-ZETCQYMHSA-N 1 1 231.242 1.531 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN[C@@H](C)[C@H]2C)c1 ZINC000379473031 712385650 /nfs/dbraw/zinc/38/56/50/712385650.db2.gz UKARXLNTWNJFGE-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCN[C@@H](C)[C@H]2C)c1 ZINC000379473031 712385652 /nfs/dbraw/zinc/38/56/52/712385652.db2.gz UKARXLNTWNJFGE-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO COc1ccc(O)c(CN2CCC([NH3+])CC2)c1 ZINC000037093705 712537050 /nfs/dbraw/zinc/53/70/50/712537050.db2.gz KDFTUZIZDCSULG-UHFFFAOYSA-N 1 1 236.315 1.324 20 10 BDCDMO CN(C)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000038040727 712801595 /nfs/dbraw/zinc/80/15/95/712801595.db2.gz ZDSXVCPWHCDTJY-UHFFFAOYSA-N 1 1 233.359 1.594 20 10 BDCDMO C[C@]1([NH3+])CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001204789649 963570546 /nfs/dbraw/zinc/57/05/46/963570546.db2.gz ADBRCGSNUHZFDL-LBPRGKRZSA-N 1 1 242.269 1.594 20 10 BDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccccc2O)C1 ZINC001203550239 966682864 /nfs/dbraw/zinc/68/28/64/966682864.db2.gz NUTHIZZOTUERLT-ZDUSSCGKSA-N 1 1 221.300 1.597 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2CC[C@](C)(O)C2)c1O ZINC001238064747 980132041 /nfs/dbraw/zinc/13/20/41/980132041.db2.gz QGUAJOZTIJWCGU-ZDUSSCGKSA-N 1 1 239.290 1.796 20 10 BDCDMO C[C@@H]1C[C@@H](NCc2cccc(O)c2O)CC[NH2+]1 ZINC001246318808 972276487 /nfs/dbraw/zinc/27/64/87/972276487.db2.gz VPWNLZVHHMEKLI-KOLCDFICSA-N 1 1 236.315 1.328 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)CC2COC2)c1 ZINC001140622961 960464565 /nfs/dbraw/zinc/46/45/65/960464565.db2.gz IMPCWDMACJOJJY-UHFFFAOYSA-N 1 1 221.300 1.779 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+](C)CC2COC2)c1O ZINC001140747634 960545204 /nfs/dbraw/zinc/54/52/04/960545204.db2.gz FEOISFNPBMYUFO-UHFFFAOYSA-N 1 1 237.299 1.484 20 10 BDCDMO CC(=O)C[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140742366 960545809 /nfs/dbraw/zinc/54/58/09/960545809.db2.gz LVZXLLLLPUJYFN-UHFFFAOYSA-N 1 1 223.272 1.427 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140742366 960545825 /nfs/dbraw/zinc/54/58/25/960545825.db2.gz LVZXLLLLPUJYFN-UHFFFAOYSA-N 1 1 223.272 1.427 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@]23CCOC3)c1O ZINC001140749966 960548061 /nfs/dbraw/zinc/54/80/61/960548061.db2.gz QGGMOSZTDUABQL-AWEZNQCLSA-N 1 1 249.310 1.771 20 10 BDCDMO Cc1c(O)ccc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC001140746252 960548499 /nfs/dbraw/zinc/54/84/99/960548499.db2.gz XFHNLCOTMCYLPF-NSHDSACASA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001140748341 960552536 /nfs/dbraw/zinc/55/25/36/960552536.db2.gz WRSXDUGQJXVDQO-RYUDHWBXSA-N 1 1 248.326 1.295 20 10 BDCDMO Cc1c(O)ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c1O ZINC001140748341 960552546 /nfs/dbraw/zinc/55/25/46/960552546.db2.gz WRSXDUGQJXVDQO-RYUDHWBXSA-N 1 1 248.326 1.295 20 10 BDCDMO Cc1c(O)ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c1O ZINC001140748341 960552557 /nfs/dbraw/zinc/55/25/57/960552557.db2.gz WRSXDUGQJXVDQO-RYUDHWBXSA-N 1 1 248.326 1.295 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCC3(COC3)C2)c1 ZINC001141155950 960891735 /nfs/dbraw/zinc/89/17/35/960891735.db2.gz BUGLYFXUAMTSEQ-UHFFFAOYSA-N 1 1 235.283 1.320 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC001141156763 960893090 /nfs/dbraw/zinc/89/30/90/960893090.db2.gz UIHFZMCMCBKTQE-SECBINFHSA-N 1 1 211.236 1.642 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC001141156763 960893092 /nfs/dbraw/zinc/89/30/92/960893092.db2.gz UIHFZMCMCBKTQE-SECBINFHSA-N 1 1 211.236 1.642 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001141159483 960895516 /nfs/dbraw/zinc/89/55/16/960895516.db2.gz HGJIJBHEAAAAIH-ONGXEEELSA-N 1 1 221.256 1.071 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001141159483 960895519 /nfs/dbraw/zinc/89/55/19/960895519.db2.gz HGJIJBHEAAAAIH-ONGXEEELSA-N 1 1 221.256 1.071 20 10 BDCDMO CC(=O)C[N@@H+](C)Cc1cc(O)ccc1O ZINC001141156928 960895754 /nfs/dbraw/zinc/89/57/54/960895754.db2.gz YAJAVDQXTMESMZ-UHFFFAOYSA-N 1 1 209.245 1.119 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1cc(O)ccc1O ZINC001141156928 960895758 /nfs/dbraw/zinc/89/57/58/960895758.db2.gz YAJAVDQXTMESMZ-UHFFFAOYSA-N 1 1 209.245 1.119 20 10 BDCDMO CO[C@@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@@H]1F ZINC001141156950 960896591 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/nfs/dbraw/zinc/82/79/90/964827990.db2.gz GDCGNPZQGMZWQJ-LBPRGKRZSA-N 1 1 248.326 1.363 20 10 BDCDMO O=C1C[N@H+](Cc2ccccc2O)C[C@H]2CCCN12 ZINC001203555727 966687231 /nfs/dbraw/zinc/68/72/31/966687231.db2.gz FSZGPTLJQZLHTB-GFCCVEGCSA-N 1 1 246.310 1.199 20 10 BDCDMO O=C1C[N@@H+](Cc2ccccc2O)C[C@H]2CCCN12 ZINC001203555727 966687247 /nfs/dbraw/zinc/68/72/47/966687247.db2.gz FSZGPTLJQZLHTB-GFCCVEGCSA-N 1 1 246.310 1.199 20 10 BDCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12 ZINC001203558590 966687781 /nfs/dbraw/zinc/68/77/81/966687781.db2.gz OEGBKRMDYSECFZ-MPKXVKKWSA-N 1 1 233.311 1.859 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@@H]2C)c1O ZINC001203585799 966695103 /nfs/dbraw/zinc/69/51/03/966695103.db2.gz VGFAYVOJJUWJJS-VIFPVBQESA-N 1 1 207.273 1.995 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001203589535 966703072 /nfs/dbraw/zinc/70/30/72/966703072.db2.gz KGEWZZRBZLIZMJ-VXGBXAGGSA-N 1 1 249.310 1.764 20 10 BDCDMO CC1(C)C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203873272 966802738 /nfs/dbraw/zinc/80/27/38/966802738.db2.gz AKVDACUVGITCPC-UHFFFAOYSA-N 1 1 207.273 1.940 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1O ZINC001203873274 966804285 /nfs/dbraw/zinc/80/42/85/966804285.db2.gz AMLJSWUFQUCLFS-SNVBAGLBSA-N 1 1 223.272 1.055 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874930 966805257 /nfs/dbraw/zinc/80/52/57/966805257.db2.gz FJZAPMQMKCNMAB-VIFPVBQESA-N 1 1 207.273 1.940 20 10 BDCDMO CN(C)c1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001203934683 966823796 /nfs/dbraw/zinc/82/37/96/966823796.db2.gz ZDBFJGUTPFVJAS-UHFFFAOYSA-N 1 1 232.327 1.727 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001203934683 966823799 /nfs/dbraw/zinc/82/37/99/966823799.db2.gz ZDBFJGUTPFVJAS-UHFFFAOYSA-N 1 1 232.327 1.727 20 10 BDCDMO Oc1ccc(CN2CC[NH+](C3CC3)CC2)c(O)c1 ZINC001204272527 966950535 /nfs/dbraw/zinc/95/05/35/966950535.db2.gz PJDMPFZUXBBCLT-UHFFFAOYSA-N 1 1 248.326 1.378 20 10 BDCDMO OC[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204273085 966953417 /nfs/dbraw/zinc/95/34/17/966953417.db2.gz XFWASULINMCHLH-NSHDSACASA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(C[N@H+]2CCCC23COC3)c(O)c1 ZINC001204274558 966954017 /nfs/dbraw/zinc/95/40/17/966954017.db2.gz FETGJVWJKGWCFL-UHFFFAOYSA-N 1 1 235.283 1.463 20 10 BDCDMO C[N@@H+](Cc1ccc(O)cc1O)[C@H]1CCCOC1 ZINC001204281721 966958931 /nfs/dbraw/zinc/95/89/31/966958931.db2.gz HGUFHVAPDMHEDK-NSHDSACASA-N 1 1 237.299 1.709 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)[C@@H](C)CO1 ZINC001204278172 966960031 /nfs/dbraw/zinc/96/00/31/966960031.db2.gz WMBBOSSARHWQEC-VHSXEESVSA-N 1 1 237.299 1.707 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N)[C@H]2C)c1O ZINC001205182628 967413746 /nfs/dbraw/zinc/41/37/46/967413746.db2.gz DXHZXPWXIQJMDH-DGCLKSJQSA-N 1 1 234.343 1.931 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N)[C@H]2C)c1O ZINC001205182628 967413757 /nfs/dbraw/zinc/41/37/57/967413757.db2.gz DXHZXPWXIQJMDH-DGCLKSJQSA-N 1 1 234.343 1.931 20 10 BDCDMO O=C1CC[NH+](Cc2ccccc2O)CC1 ZINC000084857717 967615621 /nfs/dbraw/zinc/61/56/21/967615621.db2.gz BENIOODWEQYBMW-UHFFFAOYSA-N 1 1 205.257 1.557 20 10 BDCDMO [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1CO ZINC001137831738 967822173 /nfs/dbraw/zinc/82/21/73/967822173.db2.gz LQFFJLJTDGYKCY-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO OC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137831738 967822176 /nfs/dbraw/zinc/82/21/76/967822176.db2.gz LQFFJLJTDGYKCY-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO OC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137831738 967822179 /nfs/dbraw/zinc/82/21/79/967822179.db2.gz LQFFJLJTDGYKCY-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO CC[N@H+](CCOC)Cc1c(O)cccc1F ZINC001137831826 967822856 /nfs/dbraw/zinc/82/28/56/967822856.db2.gz PACLKVMZVPGMBV-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO CC[N@@H+](CCOC)Cc1c(O)cccc1F ZINC001137831826 967822859 /nfs/dbraw/zinc/82/28/59/967822859.db2.gz PACLKVMZVPGMBV-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO C[N@H+](Cc1c(O)cccc1F)CC1(C)COC1 ZINC001137837481 967901812 /nfs/dbraw/zinc/90/18/12/967901812.db2.gz IQYFJHZJDCWUHL-UHFFFAOYSA-N 1 1 239.290 2.000 20 10 BDCDMO C[N@@H+](Cc1c(O)cccc1F)CC1(C)COC1 ZINC001137837481 967901841 /nfs/dbraw/zinc/90/18/41/967901841.db2.gz IQYFJHZJDCWUHL-UHFFFAOYSA-N 1 1 239.290 2.000 20 10 BDCDMO CC[N@H+](Cc1ccccc1O)C[C@H](C)O ZINC001251962600 968401400 /nfs/dbraw/zinc/40/14/00/968401400.db2.gz IUGGZMVUDFBUSD-JTQLQIEISA-N 1 1 209.289 1.595 20 10 BDCDMO Cc1ccc(C)c(CN2CC(C)(C[NH3+])C2)c1O ZINC001206722879 968440970 /nfs/dbraw/zinc/44/09/70/968440970.db2.gz HTVAVRFYKAVGRA-UHFFFAOYSA-N 1 1 234.343 1.790 20 10 BDCDMO COC(=O)[C@@H](C)C[N@H+]1CCc2cccc(O)c2C1 ZINC001208723161 969210058 /nfs/dbraw/zinc/21/00/58/969210058.db2.gz MQFTXVNPVPZLIN-JTQLQIEISA-N 1 1 249.310 1.559 20 10 BDCDMO CCOC1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500652 972848035 /nfs/dbraw/zinc/84/80/35/972848035.db2.gz YAOBYVQDLGNATE-UHFFFAOYSA-N 1 1 239.271 1.024 20 10 BDCDMO C[C@H]1COCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144500318 972848052 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[NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000380056168 993311586 /nfs/dbraw/zinc/31/15/86/993311586.db2.gz NHXGIPOUQMVYIS-GFCCVEGCSA-N 1 1 234.343 1.953 20 10 BDCDMO CC[N@@H+]1CC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC000389186396 993743456 /nfs/dbraw/zinc/74/34/56/993743456.db2.gz SEQSRLILTGPTNP-NSHDSACASA-N 1 1 236.315 1.282 20 10 BDCDMO CC[N@H+]1CC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC000389186396 993743460 /nfs/dbraw/zinc/74/34/60/993743460.db2.gz SEQSRLILTGPTNP-NSHDSACASA-N 1 1 236.315 1.282 20 10 BDCDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336116555 994953439 /nfs/dbraw/zinc/95/34/39/994953439.db2.gz GDEZHSMCMZSBJP-LBPRGKRZSA-N 1 1 247.342 1.356 20 10 BDCDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000022218413 187255184 /nfs/dbraw/zinc/25/51/84/187255184.db2.gz BXKBLNQMVDQPBK-UHFFFAOYSA-N 1 1 221.304 1.548 20 10 BDCDMO CC(C)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000132262164 187286936 /nfs/dbraw/zinc/28/69/36/187286936.db2.gz BPYQIJRBMRYZIE-UHFFFAOYSA-N 1 1 234.343 1.918 20 10 BDCDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093481032 345672886 /nfs/dbraw/zinc/67/28/86/345672886.db2.gz NDNYJFMWWHWMSU-GFCCVEGCSA-N 1 1 236.359 1.955 20 10 BDCDMO Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000194536080 179083924 /nfs/dbraw/zinc/08/39/24/179083924.db2.gz FSXVVPGYUGRVJE-OKILXGFUSA-N 1 1 246.354 1.694 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1O ZINC000194536080 179083927 /nfs/dbraw/zinc/08/39/27/179083927.db2.gz FSXVVPGYUGRVJE-OKILXGFUSA-N 1 1 246.354 1.694 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1O ZINC000194536080 179083928 /nfs/dbraw/zinc/08/39/28/179083928.db2.gz FSXVVPGYUGRVJE-OKILXGFUSA-N 1 1 246.354 1.694 20 10 BDCDMO CCN1CC[N@H+](Cc2cc(C)ccc2O)CC1=O ZINC000273377325 351524684 /nfs/dbraw/zinc/52/46/84/351524684.db2.gz GDGRUUIMIFVAPP-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO CCN1CC[N@@H+](Cc2cc(C)ccc2O)CC1=O ZINC000273377325 351524688 /nfs/dbraw/zinc/52/46/88/351524688.db2.gz GDGRUUIMIFVAPP-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO CC1(C)C[N@H+](Cc2cccc(F)c2O)C[C@H]1O ZINC000280438110 351844307 /nfs/dbraw/zinc/84/43/07/351844307.db2.gz KAROWCASTHCVAE-LLVKDONJSA-N 1 1 239.290 1.734 20 10 BDCDMO CC1(C)C[N@@H+](Cc2cccc(F)c2O)C[C@H]1O ZINC000280438110 351844309 /nfs/dbraw/zinc/84/43/09/351844309.db2.gz KAROWCASTHCVAE-LLVKDONJSA-N 1 1 239.290 1.734 20 10 BDCDMO CC1(C)C[N@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC000280438122 351844469 /nfs/dbraw/zinc/84/44/69/351844469.db2.gz KAROWCASTHCVAE-NSHDSACASA-N 1 1 239.290 1.734 20 10 BDCDMO CC1(C)C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC000280438122 351844472 /nfs/dbraw/zinc/84/44/72/351844472.db2.gz KAROWCASTHCVAE-NSHDSACASA-N 1 1 239.290 1.734 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CCCOCC1 ZINC000165417609 353353184 /nfs/dbraw/zinc/35/31/84/353353184.db2.gz ZGZFPYBHJTXLBG-UHFFFAOYSA-N 1 1 225.263 1.754 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CCCOCC1 ZINC000165417609 353353187 /nfs/dbraw/zinc/35/31/87/353353187.db2.gz ZGZFPYBHJTXLBG-UHFFFAOYSA-N 1 1 225.263 1.754 20 10 BDCDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179582769 181243358 /nfs/dbraw/zinc/24/33/58/181243358.db2.gz KPPBSRBTRZUHMY-NSHDSACASA-N 1 1 248.326 1.480 20 10 BDCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179553374 181268219 /nfs/dbraw/zinc/26/82/19/181268219.db2.gz NCDJOEODXNQVSW-NSHDSACASA-N 1 1 234.299 1.232 20 10 BDCDMO OC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272347380 183121312 /nfs/dbraw/zinc/12/13/12/183121312.db2.gz ZYEIYRRSWBLSON-JTQLQIEISA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272347380 183121314 /nfs/dbraw/zinc/12/13/14/183121314.db2.gz ZYEIYRRSWBLSON-JTQLQIEISA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C1CCOCC1 ZINC000165151604 183254757 /nfs/dbraw/zinc/25/47/57/183254757.db2.gz GNRAZUOJEVTVAO-UHFFFAOYSA-N 1 1 225.263 1.800 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000179871529 183274581 /nfs/dbraw/zinc/27/45/81/183274581.db2.gz JKORSLQFZOMKQX-NSHDSACASA-N 1 1 225.263 1.488 20 10 BDCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](C)O ZINC000194949269 169178910 /nfs/dbraw/zinc/17/89/10/169178910.db2.gz DGHLEDRPVCJGIE-NSHDSACASA-N 1 1 223.316 1.985 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000066057169 383845172 /nfs/dbraw/zinc/84/51/72/383845172.db2.gz MGMJUDQGJJPKPT-CQSZACIVSA-N 1 1 248.370 1.957 20 10 BDCDMO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000132564281 384236978 /nfs/dbraw/zinc/23/69/78/384236978.db2.gz FVXYZVVNJUXEBA-IUCAKERBSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@@H](CO)[NH2+]Cc1cccc(F)c1O ZINC000083347402 384297884 /nfs/dbraw/zinc/29/78/84/384297884.db2.gz ZIBJVNZXWUCVSH-VIFPVBQESA-N 1 1 213.252 1.392 20 10 BDCDMO C[C@H](C[S@@](C)=O)[NH2+]Cc1cccc(F)c1O ZINC000164406443 384980903 /nfs/dbraw/zinc/98/09/03/384980903.db2.gz GTTGYFZPKKAVOG-BCTVWOGZSA-N 1 1 245.319 1.388 20 10 BDCDMO CCN(C)CC[NH2+]Cc1cccc(F)c1O ZINC000165160703 385076816 /nfs/dbraw/zinc/07/68/16/385076816.db2.gz NCWYZEBKPAOLAF-UHFFFAOYSA-N 1 1 226.295 1.573 20 10 BDCDMO C[C@@H]([NH2+]CCCO)c1ccc(F)cc1O ZINC000062745301 385182880 /nfs/dbraw/zinc/18/28/80/385182880.db2.gz GEUUHYINOYKGMH-MRVPVSSYSA-N 1 1 213.252 1.564 20 10 BDCDMO COC[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000179577470 385475492 /nfs/dbraw/zinc/47/54/92/385475492.db2.gz NAZONRWAQRCMCL-LBPRGKRZSA-N 1 1 237.299 1.239 20 10 BDCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179578399 385476291 /nfs/dbraw/zinc/47/62/91/385476291.db2.gz JGJLSSFIQJVNQB-CYBMUJFWSA-N 1 1 221.300 1.739 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)CC(C)(C)O ZINC000180156868 385509643 /nfs/dbraw/zinc/50/96/43/385509643.db2.gz LTBBRUSOUYPGGS-UHFFFAOYSA-N 1 1 227.279 1.734 20 10 BDCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000180195746 385511450 /nfs/dbraw/zinc/51/14/50/385511450.db2.gz LUBIUSZYQRYTRW-LBPRGKRZSA-N 1 1 249.310 1.920 20 10 BDCDMO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000229964454 385695174 /nfs/dbraw/zinc/69/51/74/385695174.db2.gz FMWBNHUDXHVKFK-WPRPVWTQSA-N 1 1 227.279 1.953 20 10 BDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000271066201 385781241 /nfs/dbraw/zinc/78/12/41/385781241.db2.gz CJTAKLVXLFAVJP-NSHDSACASA-N 1 1 249.310 1.696 20 10 BDCDMO C[C@]1(O)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272340891 385896075 /nfs/dbraw/zinc/89/60/75/385896075.db2.gz YPUPYOHKBKNWIE-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@]1(O)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272340891 385896076 /nfs/dbraw/zinc/89/60/76/385896076.db2.gz YPUPYOHKBKNWIE-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CCCCO)cc1 ZINC000264028359 386205173 /nfs/dbraw/zinc/20/51/73/386205173.db2.gz OIOIRARPNUVIDU-UHFFFAOYSA-N 1 1 236.359 1.957 20 10 BDCDMO CC[C@@H]([NH2+]CCO)c1ccc(F)cc1O ZINC000285809231 387277546 /nfs/dbraw/zinc/27/75/46/387277546.db2.gz VTMIGPHHDGBVIX-SNVBAGLBSA-N 1 1 213.252 1.564 20 10 BDCDMO CC1(O)CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272310430 168067542 /nfs/dbraw/zinc/06/75/42/168067542.db2.gz RNFGGEPRQPYFAU-UHFFFAOYSA-N 1 1 239.290 1.878 20 10 BDCDMO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109770186 170265886 /nfs/dbraw/zinc/26/58/86/170265886.db2.gz ZHJHTPVUDZPAOE-JTQLQIEISA-N 1 1 237.299 1.776 20 10 BDCDMO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109770186 170265887 /nfs/dbraw/zinc/26/58/87/170265887.db2.gz ZHJHTPVUDZPAOE-JTQLQIEISA-N 1 1 237.299 1.776 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H]1O ZINC000271407542 171087173 /nfs/dbraw/zinc/08/71/73/171087173.db2.gz WZSGUNHIKIWNIY-BXUZGUMPSA-N 1 1 235.327 1.903 20 10 BDCDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(N)cc1 ZINC000036322306 171106345 /nfs/dbraw/zinc/10/63/45/171106345.db2.gz LJKDKPYAZQABHQ-CYBMUJFWSA-N 1 1 220.316 1.880 20 10 BDCDMO CC[C@H](C(N)=O)[N@@H+](C)Cc1ccccc1O ZINC000109770437 171243437 /nfs/dbraw/zinc/24/34/37/171243437.db2.gz OLBXDVSSQBLNJF-SNVBAGLBSA-N 1 1 222.288 1.088 20 10 BDCDMO COCC[N@H+](C)Cc1cccc(F)c1O ZINC000165417175 174280827 /nfs/dbraw/zinc/28/08/27/174280827.db2.gz WEEQXRDHKFAIGJ-UHFFFAOYSA-N 1 1 213.252 1.610 20 10 BDCDMO COCC[N@@H+](C)Cc1cccc(F)c1O ZINC000165417175 174280828 /nfs/dbraw/zinc/28/08/28/174280828.db2.gz WEEQXRDHKFAIGJ-UHFFFAOYSA-N 1 1 213.252 1.610 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)CC(C)(C)O)c1 ZINC000271878200 175158094 /nfs/dbraw/zinc/15/80/94/175158094.db2.gz UKDQHGYYNBXZOY-UHFFFAOYSA-N 1 1 239.315 1.604 20 10 BDCDMO COc1cccc(C[N@@H+](C)[C@@H](C)CO)c1O ZINC000289454036 175255423 /nfs/dbraw/zinc/25/54/23/175255423.db2.gz NOSJZYNRDPJJKG-VIFPVBQESA-N 1 1 225.288 1.213 20 10 BDCDMO C[C@@H]1COCC[N@@H+](Cc2ccccc2O)C1 ZINC000369450280 176332332 /nfs/dbraw/zinc/33/23/32/176332332.db2.gz CJGUVPJQMVVUJQ-NSHDSACASA-N 1 1 221.300 1.861 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1O)CC(C)(C)CO ZINC000294926013 488025274 /nfs/dbraw/zinc/02/52/74/488025274.db2.gz ZCZVTPGDRMGDHD-UHFFFAOYSA-N 1 1 241.306 1.982 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1O)CC(C)(C)CO ZINC000294926013 488025278 /nfs/dbraw/zinc/02/52/78/488025278.db2.gz ZCZVTPGDRMGDHD-UHFFFAOYSA-N 1 1 241.306 1.982 20 10 BDCDMO CNC[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000853249348 588728775 /nfs/dbraw/zinc/72/87/75/588728775.db2.gz PXKPUKBCCPLSFB-LLVKDONJSA-N 1 1 222.332 1.707 20 10 BDCDMO CC(=O)NCCC[N@H+](C)Cc1ccccc1O ZINC000111235784 588731363 /nfs/dbraw/zinc/73/13/63/588731363.db2.gz UMFWPXBENRNZTN-UHFFFAOYSA-N 1 1 236.315 1.350 20 10 BDCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](O)C2)c1O ZINC000893947512 583259410 /nfs/dbraw/zinc/25/94/10/583259410.db2.gz XCYUNOWQOYUPKE-NSHDSACASA-N 1 1 237.299 1.276 20 10 BDCDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000877754007 583345603 /nfs/dbraw/zinc/34/56/03/583345603.db2.gz WFYFQLQDFYARDJ-LBPRGKRZSA-N 1 1 235.327 1.985 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788269453 583599868 /nfs/dbraw/zinc/59/98/68/583599868.db2.gz NRVMJFHJCGSIIE-ONGXEEELSA-N 1 1 237.299 1.356 20 10 BDCDMO CCOc1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c1 ZINC000895645429 583700541 /nfs/dbraw/zinc/70/05/41/583700541.db2.gz BZBLIGQYEDUEQO-FZMZJTMJSA-N 1 1 249.310 1.358 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895651665 583703078 /nfs/dbraw/zinc/70/30/78/583703078.db2.gz BBEFTJDXFMEUQM-DGCLKSJQSA-N 1 1 219.284 1.267 20 10 BDCDMO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CO1 ZINC000896637136 583819148 /nfs/dbraw/zinc/81/91/48/583819148.db2.gz IBZFBIHRLWRWGX-DTWKUNHWSA-N 1 1 225.263 1.798 20 10 BDCDMO Oc1cccc(F)c1C[NH2+]C1CSC1 ZINC000896638581 583820056 /nfs/dbraw/zinc/82/00/56/583820056.db2.gz VXPOBQWLNLGHMI-UHFFFAOYSA-N 1 1 213.277 1.736 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC000897675613 584035488 /nfs/dbraw/zinc/03/54/88/584035488.db2.gz AUWIAENZJMZSSZ-MFKMUULPSA-N 1 1 221.300 1.513 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000897684877 584040433 /nfs/dbraw/zinc/04/04/33/584040433.db2.gz YHTRMTLNWXJSSK-QPUJVOFHSA-N 1 1 241.718 1.858 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c(O)c1 ZINC000898182390 584093520 /nfs/dbraw/zinc/09/35/20/584093520.db2.gz COISBHRVJRYUEW-NEPJUHHUSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898194253 584096455 /nfs/dbraw/zinc/09/64/55/584096455.db2.gz WSJKCZPCVUTXHF-YPMHNXCESA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H]2CNCC[C@H]2C)c1 ZINC000841059551 584126261 /nfs/dbraw/zinc/12/62/61/584126261.db2.gz UJYDYXAGSDGXKZ-DGCLKSJQSA-N 1 1 234.343 1.788 20 10 BDCDMO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N)CC2)c1 ZINC000902407834 584575006 /nfs/dbraw/zinc/57/50/06/584575006.db2.gz VZBBZOTZZDNNTM-SECBINFHSA-N 1 1 236.315 1.543 20 10 BDCDMO OC[C@@H]1CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000902631550 584646870 /nfs/dbraw/zinc/64/68/70/584646870.db2.gz YXIOSPDWMQFKFO-NSHDSACASA-N 1 1 244.294 1.507 20 10 BDCDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000731872987 584930007 /nfs/dbraw/zinc/93/00/07/584930007.db2.gz VCENYBVUPQGINV-GFCCVEGCSA-N 1 1 248.326 1.493 20 10 BDCDMO CCN(C)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000741752662 585117607 /nfs/dbraw/zinc/11/76/07/585117607.db2.gz DNQRZUJKNIIZRP-UHFFFAOYSA-N 1 1 234.343 1.975 20 10 BDCDMO CCOc1ccc(C[N@@H+](C)CCO)c(O)c1 ZINC000768136697 585532680 /nfs/dbraw/zinc/53/26/80/585532680.db2.gz BSZLZHHYXVHDRC-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCNC2=O)cc1 ZINC000771525664 585595473 /nfs/dbraw/zinc/59/54/73/585595473.db2.gz KFMPQJKMZCQDFG-ZDUSSCGKSA-N 1 1 247.342 1.073 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](CC)CCO)cc1 ZINC000773748018 585643276 /nfs/dbraw/zinc/64/32/76/585643276.db2.gz LVXUMFUFMGUJOJ-UHFFFAOYSA-N 1 1 236.359 1.957 20 10 BDCDMO Oc1cc2c(cc1C[N@@H+]1CC=CCC1)[C@H](O)CO2 ZINC000778577623 585737790 /nfs/dbraw/zinc/73/77/90/585737790.db2.gz SZGULQGNLDKSOB-CYBMUJFWSA-N 1 1 247.294 1.580 20 10 BDCDMO CC[C@@]1(O)CC[N@@H+](Cc2ccccc2O)C1 ZINC000779217439 585747562 /nfs/dbraw/zinc/74/75/62/585747562.db2.gz UMDMSWPZWBHDRR-CYBMUJFWSA-N 1 1 221.300 1.739 20 10 BDCDMO CC[C@]1(O)CC[N@@H+](Cc2ccccc2O)C1 ZINC000779217662 585747578 /nfs/dbraw/zinc/74/75/78/585747578.db2.gz UMDMSWPZWBHDRR-ZDUSSCGKSA-N 1 1 221.300 1.739 20 10 BDCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000788268490 585920402 /nfs/dbraw/zinc/92/04/02/585920402.db2.gz DLEGAVLLHHKIBJ-FZMZJTMJSA-N 1 1 234.343 1.708 20 10 BDCDMO OC[C@@]1(F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000802660580 586309108 /nfs/dbraw/zinc/30/91/08/586309108.db2.gz PPUVQTZCFVJHLU-GFCCVEGCSA-N 1 1 243.253 1.438 20 10 BDCDMO OC[C@@]1(F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000802660580 586309111 /nfs/dbraw/zinc/30/91/11/586309111.db2.gz PPUVQTZCFVJHLU-GFCCVEGCSA-N 1 1 243.253 1.438 20 10 BDCDMO OCC1([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816564072 586740716 /nfs/dbraw/zinc/74/07/16/586740716.db2.gz SVOCPKMGRXOKQM-UHFFFAOYSA-N 1 1 245.681 1.799 20 10 BDCDMO C[C@@H](NCC[NH3+])c1cc2c(cc1O)CCCC2 ZINC000817934063 586842862 /nfs/dbraw/zinc/84/28/62/586842862.db2.gz BEQBZTLEMOIZER-SNVBAGLBSA-N 1 1 234.343 1.880 20 10 BDCDMO CNCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817952434 586848240 /nfs/dbraw/zinc/84/82/40/586848240.db2.gz PSKYLHVBYOGTSZ-JTQLQIEISA-N 1 1 208.305 1.571 20 10 BDCDMO CC[C@@H]([NH2+]CCNC)c1ccc(C)cc1O ZINC000817953289 586849039 /nfs/dbraw/zinc/84/90/39/586849039.db2.gz YUFDFXMVLAVGMP-GFCCVEGCSA-N 1 1 222.332 1.961 20 10 BDCDMO C[C@H](NC[C@@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965967 586854921 /nfs/dbraw/zinc/85/49/21/586854921.db2.gz XSUNLGJHIFGGPC-QPUJVOFHSA-N 1 1 238.306 1.919 20 10 BDCDMO COCC[NH2+]CCN[C@H](C)c1ccccc1O ZINC000817965746 586855442 /nfs/dbraw/zinc/85/54/42/586855442.db2.gz ZQCVKABJQUCHKS-LLVKDONJSA-N 1 1 238.331 1.279 20 10 BDCDMO C[C@H](N)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817972185 586859014 /nfs/dbraw/zinc/85/90/14/586859014.db2.gz UWPPINVTCIYUCL-QWRGUYRKSA-N 1 1 221.348 1.750 20 10 BDCDMO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccccc1O ZINC000817974005 586860504 /nfs/dbraw/zinc/86/05/04/586860504.db2.gz XIPRRAVLJKVWCY-MWLCHTKSSA-N 1 1 208.305 1.780 20 10 BDCDMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817978602 586862088 /nfs/dbraw/zinc/86/20/88/586862088.db2.gz CEHFCWGPQGTLNP-ATZCPNFKSA-N 1 1 220.316 1.705 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827293414 587375635 /nfs/dbraw/zinc/37/56/35/587375635.db2.gz YTUHRQDIZGZCDW-GXTWGEPZSA-N 1 1 233.311 1.657 20 10 BDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000835026149 587779257 /nfs/dbraw/zinc/77/92/57/587779257.db2.gz QUAKIVKVTBXTKM-NHZBNJEXSA-N 1 1 246.354 1.832 20 10 BDCDMO Cc1cccc(C[NH2+]CC2(N)CCC2)c1O ZINC000841048712 587935174 /nfs/dbraw/zinc/93/51/74/587935174.db2.gz LCULLSCRVHKBBX-UHFFFAOYSA-N 1 1 220.316 1.672 20 10 BDCDMO Cc1cccc(CNCC2([NH3+])CCC2)c1O ZINC000841048712 587935176 /nfs/dbraw/zinc/93/51/76/587935176.db2.gz LCULLSCRVHKBBX-UHFFFAOYSA-N 1 1 220.316 1.672 20 10 BDCDMO Cc1ccc(O)c(CNC[C@H]([NH3+])C(C)C)c1 ZINC000841028847 587936224 /nfs/dbraw/zinc/93/62/24/587936224.db2.gz IRVHKVMZHXTWIN-LBPRGKRZSA-N 1 1 222.332 1.774 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]C[C@H](N)C(C)C)c1 ZINC000841028847 587936226 /nfs/dbraw/zinc/93/62/26/587936226.db2.gz IRVHKVMZHXTWIN-LBPRGKRZSA-N 1 1 222.332 1.774 20 10 BDCDMO CC(C)[C@@H]([NH3+])CNCc1ccccc1O ZINC000841028438 587936631 /nfs/dbraw/zinc/93/66/31/587936631.db2.gz FSFVBNFTKMMQAK-NSHDSACASA-N 1 1 208.305 1.465 20 10 BDCDMO C[NH2+]CCNCc1c(O)ccc(Cl)c1F ZINC000841035628 587937903 /nfs/dbraw/zinc/93/79/03/587937903.db2.gz IMZXFQWQLQISER-UHFFFAOYSA-N 1 1 232.686 1.494 20 10 BDCDMO COc1cccc(C[NH2+][C@@H]2CCCNC2)c1O ZINC000841043662 587938962 /nfs/dbraw/zinc/93/89/62/587938962.db2.gz UWQLBEXCZCHNDR-LLVKDONJSA-N 1 1 236.315 1.242 20 10 BDCDMO Cc1cc(O)c(CNCC(F)(F)C[NH3+])cc1C ZINC000841059591 587940649 /nfs/dbraw/zinc/94/06/49/587940649.db2.gz GIPXMYKZUABBAF-UHFFFAOYSA-N 1 1 244.285 1.693 20 10 BDCDMO Cc1cccc(C[NH2+][C@H]2CCCN[C@H]2C)c1O ZINC000841065609 587942879 /nfs/dbraw/zinc/94/28/79/587942879.db2.gz RFYJJCUYYAFGGG-AAEUAGOBSA-N 1 1 234.343 1.931 20 10 BDCDMO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1O ZINC000841077098 587943392 /nfs/dbraw/zinc/94/33/92/587943392.db2.gz ZFARDFFBOUIUCR-ZJUUUORDSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cccc(CN[C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841077098 587943395 /nfs/dbraw/zinc/94/33/95/587943395.db2.gz ZFARDFFBOUIUCR-ZJUUUORDSA-N 1 1 208.305 1.526 20 10 BDCDMO C[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1O ZINC000843047451 588075957 /nfs/dbraw/zinc/07/59/57/588075957.db2.gz MMXFQRNZLQQXIQ-SECBINFHSA-N 1 1 240.734 1.839 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN[C@@H](C)[C@H]2C)c1O ZINC000843058277 588078005 /nfs/dbraw/zinc/07/80/05/588078005.db2.gz QSMRZGWLHWAIGT-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN[C@@H](C)[C@H]2C)c1O ZINC000843058277 588078007 /nfs/dbraw/zinc/07/80/07/588078007.db2.gz QSMRZGWLHWAIGT-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO CCc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000848877097 588416419 /nfs/dbraw/zinc/41/64/19/588416419.db2.gz PUKSHDAYTSSLCN-CYBMUJFWSA-N 1 1 235.327 1.911 20 10 BDCDMO Nc1ccc(-n2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000849134625 588453549 /nfs/dbraw/zinc/45/35/49/588453549.db2.gz JIEYPHFXITTZEE-UHFFFAOYSA-N 1 1 243.314 1.445 20 10 BDCDMO CC[C@H](C)[N@@H+](CCO)Cc1ccccc1O ZINC000862386735 589206012 /nfs/dbraw/zinc/20/60/12/589206012.db2.gz BBNILDCQPWUILM-NSHDSACASA-N 1 1 223.316 1.985 20 10 BDCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000862760450 589237901 /nfs/dbraw/zinc/23/79/01/589237901.db2.gz RAEANDHKCCMGKH-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](CO)C1 ZINC000876510395 590205561 /nfs/dbraw/zinc/20/55/61/590205561.db2.gz UXCBGUKERKCISX-GFCCVEGCSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+](C)CC(=O)NC2CC2)c(O)c1 ZINC000876549885 590214577 /nfs/dbraw/zinc/21/45/77/590214577.db2.gz YHGHRYORCGHCQF-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC000876610851 590222160 /nfs/dbraw/zinc/22/21/60/590222160.db2.gz KEDJJIOIGAAZNH-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1ccc(C[NH2+]Cc2cocn2)c(O)c1 ZINC000877046659 590274090 /nfs/dbraw/zinc/27/40/90/590274090.db2.gz ODRYBHLLEKJGAC-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877463039 590332454 /nfs/dbraw/zinc/33/24/54/590332454.db2.gz YYMQTQMLMWKSTD-RISCZKNCSA-N 1 1 233.311 1.515 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)CCCCO ZINC000877471755 590335086 /nfs/dbraw/zinc/33/50/86/590335086.db2.gz ZLJSFNCSMGJTAD-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c(O)c1 ZINC000877501971 590341159 /nfs/dbraw/zinc/34/11/59/590341159.db2.gz XFIPJWYSCWBMCK-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c(O)c1 ZINC000877501971 590341164 /nfs/dbraw/zinc/34/11/64/590341164.db2.gz XFIPJWYSCWBMCK-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)c(O)c1 ZINC000877503769 590343154 /nfs/dbraw/zinc/34/31/54/590343154.db2.gz AGPQUKPNUAIFTA-CYBMUJFWSA-N 1 1 239.290 1.607 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c(O)c1 ZINC000877547291 590353017 /nfs/dbraw/zinc/35/30/17/590353017.db2.gz SIWYJZDPLAGJLY-JSGCOSHPSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576900 590364091 /nfs/dbraw/zinc/36/40/91/590364091.db2.gz RFWFJUIHZNICEC-PWSUYJOCSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)C1(CO)CC1 ZINC000877641927 590382222 /nfs/dbraw/zinc/38/22/22/590382222.db2.gz LPBUBUDGLLARPB-UHFFFAOYSA-N 1 1 221.300 1.657 20 10 BDCDMO C[C@H]([NH2+]CCc1c[nH]nn1)c1ccccc1O ZINC000879650852 590844050 /nfs/dbraw/zinc/84/40/50/590844050.db2.gz TZEUHTGUHZWYNL-VIFPVBQESA-N 1 1 232.287 1.404 20 10 BDCDMO Cc1cc(O)c(C[N@H+](C)C[C@H](C)O)cc1C ZINC000130759256 591516295 /nfs/dbraw/zinc/51/62/95/591516295.db2.gz XJLJNKCEEOKFAX-NSHDSACASA-N 1 1 223.316 1.822 20 10 BDCDMO CCNC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC000133177069 591776584 /nfs/dbraw/zinc/77/65/84/591776584.db2.gz QFIAEGGIVBCXAN-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO [NH3+]C[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000219733672 592240503 /nfs/dbraw/zinc/24/05/03/592240503.db2.gz VAYMPJVOXRVFIO-SNVBAGLBSA-N 1 1 238.306 1.702 20 10 BDCDMO C[C@H](CCO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886530091 592247546 /nfs/dbraw/zinc/24/75/46/592247546.db2.gz CUFFGJFBAVBWRI-RKDXNWHRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886532761 592249798 /nfs/dbraw/zinc/24/97/98/592249798.db2.gz OIOYBVBETSUOGR-YUMQZZPRSA-N 1 1 213.252 1.563 20 10 BDCDMO CCC[N@H+](CCN)Cc1ccccc1O ZINC000308871795 632036813 /nfs/dbraw/zinc/03/68/13/632036813.db2.gz ZHIYANVUGQWUSX-UHFFFAOYSA-N 1 1 208.305 1.563 20 10 BDCDMO CCC[N@@H+](CCN)Cc1ccccc1O ZINC000308871795 632036820 /nfs/dbraw/zinc/03/68/20/632036820.db2.gz ZHIYANVUGQWUSX-UHFFFAOYSA-N 1 1 208.305 1.563 20 10 BDCDMO C[C@@H]([NH2+]CCCON)c1ccc(F)cc1O ZINC000902425914 637304869 /nfs/dbraw/zinc/30/48/69/637304869.db2.gz PFMZOBLAIYMRNF-MRVPVSSYSA-N 1 1 228.267 1.462 20 10 BDCDMO NOCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000904458364 637420844 /nfs/dbraw/zinc/42/08/44/637420844.db2.gz XMKWABHMJLSYMS-UHFFFAOYSA-N 1 1 248.685 1.555 20 10 BDCDMO Cc1cc(N(C)C)ccc1CN[C@H]1C[C@H]([NH3+])C1 ZINC000906517975 638187424 /nfs/dbraw/zinc/18/74/24/638187424.db2.gz LPWUDMQZPKRRQH-JOCQHMNTSA-N 1 1 233.359 1.640 20 10 BDCDMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040671551 641534327 /nfs/dbraw/zinc/53/43/27/641534327.db2.gz DGDKNNRCKAKOPE-CYBMUJFWSA-N 1 1 247.342 1.022 20 10 BDCDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179557405 642727381 /nfs/dbraw/zinc/72/73/81/642727381.db2.gz RVAUVWSLKYGJNC-ZDUSSCGKSA-N 1 1 248.326 1.493 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2C[C@H](C)N[C@@H](C)C2)c1 ZINC000070075570 642961711 /nfs/dbraw/zinc/96/17/11/642961711.db2.gz CUGTXCUNGVNVJU-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO Oc1c(Cl)cccc1CN1CC[NH2+]CC1 ZINC000083056291 644399033 /nfs/dbraw/zinc/39/90/33/644399033.db2.gz IPXBBTIXJZPWTN-UHFFFAOYSA-N 1 1 226.707 1.451 20 10 BDCDMO C[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1 ZINC000083117998 644400527 /nfs/dbraw/zinc/40/05/27/644400527.db2.gz QNEFQDUMHVTGAF-QWRGUYRKSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)[C@@H](C)CN1 ZINC000083117998 644400532 /nfs/dbraw/zinc/40/05/32/644400532.db2.gz QNEFQDUMHVTGAF-QWRGUYRKSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CN1 ZINC000083117995 644400806 /nfs/dbraw/zinc/40/08/06/644400806.db2.gz QNEFQDUMHVTGAF-GHMZBOCLSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@H](C)CN1 ZINC000083117995 644400808 /nfs/dbraw/zinc/40/08/08/644400808.db2.gz QNEFQDUMHVTGAF-GHMZBOCLSA-N 1 1 220.316 1.574 20 10 BDCDMO COc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000090320513 644589000 /nfs/dbraw/zinc/58/90/00/644589000.db2.gz FDVLGNMKQYNOFM-VXGBXAGGSA-N 1 1 248.326 1.052 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)NC[C@H]2C)c1 ZINC000251169881 644795770 /nfs/dbraw/zinc/79/57/70/644795770.db2.gz PRPHOYXHQQRYFY-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)NC[C@H]2C)c1 ZINC000251169881 644795777 /nfs/dbraw/zinc/79/57/77/644795777.db2.gz PRPHOYXHQQRYFY-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Nc1ccc(CC[NH2+][C@H]2C[C@H](N)C23CCC3)cc1 ZINC000925694722 646419742 /nfs/dbraw/zinc/41/97/42/646419742.db2.gz SLGPPVGATGFYNY-KBPBESRZSA-N 1 1 245.370 1.671 20 10 BDCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)CN1 ZINC000398953721 711417875 /nfs/dbraw/zinc/41/78/75/711417875.db2.gz GAIJVANITSRWKI-ZYHUDNBSSA-N 1 1 220.316 1.622 20 10 BDCDMO C[N@@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000399973703 711438121 /nfs/dbraw/zinc/43/81/21/711438121.db2.gz SGLPSOHTBPDXKU-HNNXBMFYSA-N 1 1 227.329 1.203 20 10 BDCDMO OCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708388899 712191982 /nfs/dbraw/zinc/19/19/82/712191982.db2.gz JKNYENYIPKVPFP-UHFFFAOYSA-N 1 1 217.215 1.142 20 10 BDCDMO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCOC1 ZINC000708412066 712193404 /nfs/dbraw/zinc/19/34/04/712193404.db2.gz FPCCBNMHOQHVPC-JTQLQIEISA-N 1 1 243.253 1.891 20 10 BDCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCOC1 ZINC000708412066 712193405 /nfs/dbraw/zinc/19/34/05/712193405.db2.gz FPCCBNMHOQHVPC-JTQLQIEISA-N 1 1 243.253 1.891 20 10 BDCDMO C[C@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000708442482 712195019 /nfs/dbraw/zinc/19/50/19/712195019.db2.gz MLYWHPROSKCSSC-LBPRGKRZSA-N 1 1 243.253 1.939 20 10 BDCDMO CC(C)[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487467 712211002 /nfs/dbraw/zinc/21/10/02/712211002.db2.gz XZPQSUMLOSSKBW-LLVKDONJSA-N 1 1 245.269 1.777 20 10 BDCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](C)O ZINC000708535839 712211921 /nfs/dbraw/zinc/21/19/21/712211921.db2.gz QVFBBKVLGHYADE-HQJQHLMTSA-N 1 1 245.269 1.919 20 10 BDCDMO C[C@]1([NH3+])CCN(Cc2cccc(Cl)c2O)C1 ZINC001204791660 963591759 /nfs/dbraw/zinc/59/17/59/963591759.db2.gz RCXFNFHJVOFEBA-LBPRGKRZSA-N 1 1 240.734 1.969 20 10 BDCDMO Oc1ccc(Cl)cc1C[NH+]1CC2(COC2)C1 ZINC001203648170 966719251 /nfs/dbraw/zinc/71/92/51/966719251.db2.gz FKGUOVJEDNKKDM-UHFFFAOYSA-N 1 1 239.702 1.878 20 10 BDCDMO CNC(=O)C[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238056303 980133800 /nfs/dbraw/zinc/13/38/00/980133800.db2.gz GRPICAFAQAZPGD-UHFFFAOYSA-N 1 1 240.278 1.018 20 10 BDCDMO Cc1cc(F)cc(C[N@@H+](C)C2COC2)c1O ZINC001238063557 980132461 /nfs/dbraw/zinc/13/24/61/980132461.db2.gz YOJMDYFUDYUZJK-UHFFFAOYSA-N 1 1 225.263 1.670 20 10 BDCDMO Cc1cc(F)cc(C[N@H+](C)C2COC2)c1O ZINC001238063557 980132464 /nfs/dbraw/zinc/13/24/64/980132464.db2.gz YOJMDYFUDYUZJK-UHFFFAOYSA-N 1 1 225.263 1.670 20 10 BDCDMO CNC(=O)C[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238056303 980133796 /nfs/dbraw/zinc/13/37/96/980133796.db2.gz GRPICAFAQAZPGD-UHFFFAOYSA-N 1 1 240.278 1.018 20 10 BDCDMO CCC[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144499147 972846765 /nfs/dbraw/zinc/84/67/65/972846765.db2.gz BZWNCXWCKXRUAP-UHFFFAOYSA-N 1 1 211.261 1.645 20 10 BDCDMO CN(Cc1cc(F)ccc1O)[C@H]1CC[N@@H+](C)C1 ZINC000310532612 971976011 /nfs/dbraw/zinc/97/60/11/971976011.db2.gz QGGHHNSKOWPFIW-LBPRGKRZSA-N 1 1 238.306 1.667 20 10 BDCDMO CN1CC[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC000310532612 971976015 /nfs/dbraw/zinc/97/60/15/971976015.db2.gz QGGHHNSKOWPFIW-LBPRGKRZSA-N 1 1 238.306 1.667 20 10 BDCDMO CN1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC000310532612 971976017 /nfs/dbraw/zinc/97/60/17/971976017.db2.gz QGGHHNSKOWPFIW-LBPRGKRZSA-N 1 1 238.306 1.667 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c1 ZINC001141155962 960407536 /nfs/dbraw/zinc/40/75/36/960407536.db2.gz CANAZBGYSFEUAQ-LBPRGKRZSA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCCC23COC3)c1 ZINC001141159836 960412801 /nfs/dbraw/zinc/41/28/01/960412801.db2.gz MGCLAXIMDNREFH-UHFFFAOYSA-N 1 1 235.283 1.463 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2CO)c1 ZINC001140617077 960459507 /nfs/dbraw/zinc/45/95/07/960459507.db2.gz CFNYHZSMXMUHDC-AAEUAGOBSA-N 1 1 235.327 1.903 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1F ZINC001140617053 960462862 /nfs/dbraw/zinc/46/28/62/960462862.db2.gz BAQUVRDCYLKWDR-WCQYABFASA-N 1 1 239.290 1.869 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN3CC[C@@H]3C2)c1 ZINC001140624088 960465201 /nfs/dbraw/zinc/46/52/01/960465201.db2.gz FSSDNVCQQVXOAO-CYBMUJFWSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001140624088 960465211 /nfs/dbraw/zinc/46/52/11/960465211.db2.gz FSSDNVCQQVXOAO-CYBMUJFWSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(O)c(CN2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001140624088 960465220 /nfs/dbraw/zinc/46/52/20/960465220.db2.gz FSSDNVCQQVXOAO-CYBMUJFWSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1c(O)ccc(C[N@H+](C2CC2)C2COC2)c1O ZINC001140748799 960548390 /nfs/dbraw/zinc/54/83/90/960548390.db2.gz KAZMXPFPMQWNQN-UHFFFAOYSA-N 1 1 249.310 1.769 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+](C2CC2)C2COC2)c1O ZINC001140748799 960548400 /nfs/dbraw/zinc/54/84/00/960548400.db2.gz KAZMXPFPMQWNQN-UHFFFAOYSA-N 1 1 249.310 1.769 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](CO)C2)c1O ZINC001140745224 960551935 /nfs/dbraw/zinc/55/19/35/960551935.db2.gz AOSMXBWKJMEICP-SNVBAGLBSA-N 1 1 237.299 1.220 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001140948203 960745783 /nfs/dbraw/zinc/74/57/83/960745783.db2.gz YANIUUQRYWXAEB-RISCZKNCSA-N 1 1 235.327 1.903 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCCC3(COC3)C2)c1 ZINC001141156236 960891089 /nfs/dbraw/zinc/89/10/89/960891089.db2.gz ICUMLAYUKGOMEL-UHFFFAOYSA-N 1 1 249.310 1.710 20 10 BDCDMO OC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141156347 960892393 /nfs/dbraw/zinc/89/23/93/960892393.db2.gz VCPUHNYENALSTO-LLVKDONJSA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCCOCC2)c1 ZINC001141156098 960892500 /nfs/dbraw/zinc/89/25/00/960892500.db2.gz QHLMLCGBKFYODC-UHFFFAOYSA-N 1 1 223.272 1.320 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001141159133 960895077 /nfs/dbraw/zinc/89/50/77/960895077.db2.gz ACDDVJLDBJPINB-JQWIXIFHSA-N 1 1 249.310 1.566 20 10 BDCDMO CN1CC2(C1)CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141162626 960905870 /nfs/dbraw/zinc/90/58/70/960905870.db2.gz XXKMSFAXUQBODR-UHFFFAOYSA-N 1 1 248.326 1.235 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001141162150 960906225 /nfs/dbraw/zinc/90/62/25/960906225.db2.gz LVCABUGFFQXFLC-CYBMUJFWSA-N 1 1 249.310 1.709 20 10 BDCDMO C[NH+](C)CCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000160240407 964800847 /nfs/dbraw/zinc/80/08/47/964800847.db2.gz JDOLEMXDRLVCHU-UHFFFAOYSA-N 1 1 240.322 1.915 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1F ZINC001203550366 966683868 /nfs/dbraw/zinc/68/38/68/966683868.db2.gz TXTSEDIPGPWDRO-CMPLNLGQSA-N 1 1 225.263 1.561 20 10 BDCDMO Oc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001203562300 966691668 /nfs/dbraw/zinc/69/16/68/966691668.db2.gz HNGDZHKIYLSSCE-VXGBXAGGSA-N 1 1 219.284 1.755 20 10 BDCDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c(O)c1 ZINC001203634462 966715838 /nfs/dbraw/zinc/71/58/38/966715838.db2.gz HHNBIKZYJHGKSL-LLVKDONJSA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(O)c(CN2CC3(C2)C[NH+](C)C3)c1 ZINC001203683666 966735921 /nfs/dbraw/zinc/73/59/21/966735921.db2.gz AGSSWELKPMUGRS-UHFFFAOYSA-N 1 1 248.326 1.148 20 10 BDCDMO Cn1cc(C[N@H+](C)Cc2ccc(O)c(O)c2)cn1 ZINC001203874122 966792497 /nfs/dbraw/zinc/79/24/97/966792497.db2.gz OUNSMBPTDSQGPM-UHFFFAOYSA-N 1 1 247.298 1.463 20 10 BDCDMO Cn1cc(C[N@@H+](C)Cc2ccc(O)c(O)c2)cn1 ZINC001203874122 966792503 /nfs/dbraw/zinc/79/25/03/966792503.db2.gz OUNSMBPTDSQGPM-UHFFFAOYSA-N 1 1 247.298 1.463 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCCOCC2)cc1O ZINC001203874451 966805427 /nfs/dbraw/zinc/80/54/27/966805427.db2.gz YOULIVSUDLUDMD-UHFFFAOYSA-N 1 1 223.272 1.320 20 10 BDCDMO Oc1ccc(C[N@H+]2CCCOCC2)cc1O ZINC001203874451 966805428 /nfs/dbraw/zinc/80/54/28/966805428.db2.gz YOULIVSUDLUDMD-UHFFFAOYSA-N 1 1 223.272 1.320 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1O ZINC001203880509 966807796 /nfs/dbraw/zinc/80/77/96/966807796.db2.gz UPRIILHHUHYPQE-RTCCRHLQSA-N 1 1 237.274 1.745 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001203936243 966823620 /nfs/dbraw/zinc/82/36/20/966823620.db2.gz BLPCGYWNSYAGMY-DZGCQCFKSA-N 1 1 246.354 1.973 20 10 BDCDMO C[C@H]1COCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204273130 966953601 /nfs/dbraw/zinc/95/36/01/966953601.db2.gz ZDBOUDGFPROVKI-SNVBAGLBSA-N 1 1 237.299 1.566 20 10 BDCDMO [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@H]1CO ZINC001137831737 967823066 /nfs/dbraw/zinc/82/30/66/967823066.db2.gz LQFFJLJTDGYKCY-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO OC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137831737 967823068 /nfs/dbraw/zinc/82/30/68/967823068.db2.gz LQFFJLJTDGYKCY-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO OC[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137831737 967823071 /nfs/dbraw/zinc/82/30/71/967823071.db2.gz LQFFJLJTDGYKCY-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N)cc2)C1 ZINC001205840970 967849220 /nfs/dbraw/zinc/84/92/20/967849220.db2.gz JDYQNCPXRUVPNP-RISCZKNCSA-N 1 1 233.359 1.828 20 10 BDCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001205840970 967849221 /nfs/dbraw/zinc/84/92/21/967849221.db2.gz JDYQNCPXRUVPNP-RISCZKNCSA-N 1 1 233.359 1.828 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001207102660 968630321 /nfs/dbraw/zinc/63/03/21/968630321.db2.gz RKHBIPMJWGPSII-OTSSQURYSA-N 1 1 243.253 1.531 20 10 BDCDMO Cn1c(=O)cccc1[NH2+]Cc1ccc(O)c(O)c1 ZINC001169994542 969973186 /nfs/dbraw/zinc/97/31/86/969973186.db2.gz DUDBRKRQEUOXEI-UHFFFAOYSA-N 1 1 246.266 1.409 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001144504573 972850305 /nfs/dbraw/zinc/85/03/05/972850305.db2.gz VWCIPJTUCYDNMU-OCAPTIKFSA-N 1 1 221.256 1.255 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144504558 972850445 /nfs/dbraw/zinc/85/04/45/972850445.db2.gz VBLKVUJBGMNLHG-MRVPVSSYSA-N 1 1 239.271 1.024 20 10 BDCDMO COc1ccc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001276925083 973304390 /nfs/dbraw/zinc/30/43/90/973304390.db2.gz UZPPQNNTXKKNRJ-SMDDNHRTSA-N 1 1 232.327 1.836 20 10 BDCDMO COc1ccc(N2CC3(C2)CC[N@@H+](C)C3)cc1 ZINC001276925094 973306142 /nfs/dbraw/zinc/30/61/42/973306142.db2.gz VJBPZIRQRQVMHB-UHFFFAOYSA-N 1 1 232.327 1.837 20 10 BDCDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC000044412653 973751846 /nfs/dbraw/zinc/75/18/46/973751846.db2.gz HNLIEAHBPDJHED-ZDUSSCGKSA-N 1 1 247.342 1.369 20 10 BDCDMO C[NH2+]C[C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC001335285588 976924166 /nfs/dbraw/zinc/92/41/66/976924166.db2.gz QEQFPBBKSBBCGL-LBPRGKRZSA-N 1 1 219.332 1.310 20 10 BDCDMO COc1cc(C[N@@H+](C)C2CC2)c(O)cc1O ZINC001231635400 977652178 /nfs/dbraw/zinc/65/21/78/977652178.db2.gz XZDOUBMJWOGYJD-UHFFFAOYSA-N 1 1 223.272 1.701 20 10 BDCDMO Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001231847080 977763317 /nfs/dbraw/zinc/76/33/17/977763317.db2.gz VKQQLYNOETWMCF-TXEJJXNPSA-N 1 1 233.311 1.982 20 10 BDCDMO CO[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010119 978406972 /nfs/dbraw/zinc/40/69/72/978406972.db2.gz LHWNINJDONQIDI-SECBINFHSA-N 1 1 239.271 1.024 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010119 978406991 /nfs/dbraw/zinc/40/69/91/978406991.db2.gz LHWNINJDONQIDI-SECBINFHSA-N 1 1 239.271 1.024 20 10 BDCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCOC1 ZINC001233485743 978612167 /nfs/dbraw/zinc/61/21/67/978612167.db2.gz JIHLTIBVVPMJDT-SECBINFHSA-N 1 1 239.271 1.024 20 10 BDCDMO Oc1cc(O)c(C[NH+]2CC(C(F)F)C2)cc1O ZINC001233487830 978613839 /nfs/dbraw/zinc/61/38/39/978613839.db2.gz UFUYPGQESJIYKF-UHFFFAOYSA-N 1 1 245.225 1.500 20 10 BDCDMO CC(C)[C@@H]1CNCC[N@@H+]1Cc1ccc(N)cc1 ZINC001235458508 979047599 /nfs/dbraw/zinc/04/75/99/979047599.db2.gz RHNLFRDCGJCGRB-AWEZNQCLSA-N 1 1 233.359 1.699 20 10 BDCDMO CC(C)[C@@H]1CNCC[N@H+]1Cc1ccc(N)cc1 ZINC001235458508 979047603 /nfs/dbraw/zinc/04/76/03/979047603.db2.gz RHNLFRDCGJCGRB-AWEZNQCLSA-N 1 1 233.359 1.699 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N)C2)c1O ZINC001236172139 979428784 /nfs/dbraw/zinc/42/87/84/979428784.db2.gz WYGOXSYXZSMQJG-NSHDSACASA-N 1 1 220.316 1.542 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](N)C2)c1O ZINC001236172139 979428797 /nfs/dbraw/zinc/42/87/97/979428797.db2.gz WYGOXSYXZSMQJG-NSHDSACASA-N 1 1 220.316 1.542 20 10 BDCDMO CCc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001236784330 979731862 /nfs/dbraw/zinc/73/18/62/979731862.db2.gz UVOSBJGJPCWUNU-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001236784330 979731871 /nfs/dbraw/zinc/73/18/71/979731871.db2.gz UVOSBJGJPCWUNU-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001236793949 979738342 /nfs/dbraw/zinc/73/83/42/979738342.db2.gz HQSGDUGGMVPCDB-UHFFFAOYSA-N 1 1 233.311 1.929 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@](C)(CO)C1 ZINC001237486117 979909484 /nfs/dbraw/zinc/90/94/84/979909484.db2.gz VWZLRBIOSPURIO-AWEZNQCLSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCN(C)[C@H](C)C1 ZINC001237488400 979915444 /nfs/dbraw/zinc/91/54/44/979915444.db2.gz WMPCQKDNNAMAEE-GFCCVEGCSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC001237489075 979915687 /nfs/dbraw/zinc/91/56/87/979915687.db2.gz DRAIABVFGIGEGZ-GFCCVEGCSA-N 1 1 248.326 1.540 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001237491672 979916166 /nfs/dbraw/zinc/91/61/66/979916166.db2.gz MGSCQIJYZZHMHR-BETUJISGSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001237486896 979918359 /nfs/dbraw/zinc/91/83/59/979918359.db2.gz DLUPGEGEPBSHEB-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001237486896 979918369 /nfs/dbraw/zinc/91/83/69/979918369.db2.gz DLUPGEGEPBSHEB-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](CO)C2)c1O ZINC001238060578 980131855 /nfs/dbraw/zinc/13/18/55/980131855.db2.gz CBGSDFWVTRHHAM-JTQLQIEISA-N 1 1 239.290 1.654 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2CO)c1O ZINC001238064139 980135029 /nfs/dbraw/zinc/13/50/29/980135029.db2.gz OPLMNCFPFXMNQL-GFCCVEGCSA-N 1 1 239.290 1.796 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001203634634 980351850 /nfs/dbraw/zinc/35/18/50/980351850.db2.gz OMOKDXYDXMCYKX-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(O)c1 ZINC001203634634 980351856 /nfs/dbraw/zinc/35/18/56/980351856.db2.gz OMOKDXYDXMCYKX-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(O)c1 ZINC001203634634 980351862 /nfs/dbraw/zinc/35/18/62/980351862.db2.gz OMOKDXYDXMCYKX-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO CC(=O)N1CC[N@H+](Cc2ccc(N)cc2)[C@H](C)C1 ZINC001352788894 982579790 /nfs/dbraw/zinc/57/97/90/982579790.db2.gz REBPURHFZVRIQF-LLVKDONJSA-N 1 1 247.342 1.321 20 10 BDCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N)cc2)[C@H](C)C1 ZINC001352788894 982579800 /nfs/dbraw/zinc/57/98/00/982579800.db2.gz REBPURHFZVRIQF-LLVKDONJSA-N 1 1 247.342 1.321 20 10 BDCDMO COC(=O)CCC[N@H+]1CCc2cccc(O)c2C1 ZINC001202252224 983608678 /nfs/dbraw/zinc/60/86/78/983608678.db2.gz DXPWUTLXUJYXSI-UHFFFAOYSA-N 1 1 249.310 1.704 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000718144557 984395360 /nfs/dbraw/zinc/39/53/60/984395360.db2.gz FWRPMCQPJGJHPX-TXEJJXNPSA-N 1 1 249.310 1.479 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718337760 984433019 /nfs/dbraw/zinc/43/30/19/984433019.db2.gz PNKZCZLGVVBJQD-JQWIXIFHSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC000718337760 984433027 /nfs/dbraw/zinc/43/30/27/984433027.db2.gz PNKZCZLGVVBJQD-JQWIXIFHSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC000718332822 984435456 /nfs/dbraw/zinc/43/54/56/984435456.db2.gz YQDZXJNQYTZWLZ-JQWIXIFHSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC000718332822 984435469 /nfs/dbraw/zinc/43/54/69/984435469.db2.gz YQDZXJNQYTZWLZ-JQWIXIFHSA-N 1 1 235.283 1.374 20 10 BDCDMO COC[C@@H](C)[N@H+]1CCc2cccc(O)c2C1 ZINC001255582145 987033935 /nfs/dbraw/zinc/03/39/35/987033935.db2.gz RRAUSYLEJGIUSA-SNVBAGLBSA-N 1 1 221.300 1.785 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690779174 987281348 /nfs/dbraw/zinc/28/13/48/987281348.db2.gz AEVXFSPOLMLKGW-STQMWFEESA-N 1 1 233.311 1.861 20 10 BDCDMO C[NH2+][C@@H](C)CCNCc1ccc(N(C)C)cc1 ZINC001118019111 987985516 /nfs/dbraw/zinc/98/55/16/987985516.db2.gz NMZUMGUHSIECGQ-LBPRGKRZSA-N 1 1 235.375 1.840 20 10 BDCDMO C[NH2+][C@H](C)CCNCc1cc(OC)ccc1O ZINC001325268070 989139741 /nfs/dbraw/zinc/13/97/41/989139741.db2.gz OTPFSAPTEBMEDF-SNVBAGLBSA-N 1 1 238.331 1.488 20 10 BDCDMO Nc1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC001120268174 989620871 /nfs/dbraw/zinc/62/08/71/989620871.db2.gz BDDUVSMCFJYLSM-CYBMUJFWSA-N 1 1 243.314 1.307 20 10 BDCDMO C[N@H+]1CCCN(Cc2c(O)cccc2F)CC1 ZINC001137831478 990853730 /nfs/dbraw/zinc/85/37/30/990853730.db2.gz AYRCXNDOLTYYEY-UHFFFAOYSA-N 1 1 238.306 1.669 20 10 BDCDMO CO[C@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137833030 990855502 /nfs/dbraw/zinc/85/55/02/990855502.db2.gz QCRCDYOCVKBBHM-VIFPVBQESA-N 1 1 225.263 1.752 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137833030 990855503 /nfs/dbraw/zinc/85/55/03/990855503.db2.gz QCRCDYOCVKBBHM-VIFPVBQESA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@@H]1O ZINC001137833168 990856449 /nfs/dbraw/zinc/85/64/49/990856449.db2.gz VWLYWKFSCKVLTI-RNCFNFMXSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1O ZINC001137833168 990856450 /nfs/dbraw/zinc/85/64/50/990856450.db2.gz VWLYWKFSCKVLTI-RNCFNFMXSA-N 1 1 239.290 1.734 20 10 BDCDMO Oc1c(F)cccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001138122505 990884736 /nfs/dbraw/zinc/88/47/36/990884736.db2.gz JSJJORCSTAJTHP-UHFFFAOYSA-N 1 1 237.274 1.488 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138128763 990887795 /nfs/dbraw/zinc/88/77/95/990887795.db2.gz YDRNMHQESFDQKM-MWLCHTKSSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cccc(F)c1O ZINC001138128763 990887801 /nfs/dbraw/zinc/88/78/01/990887801.db2.gz YDRNMHQESFDQKM-MWLCHTKSSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001560811245 991611689 /nfs/dbraw/zinc/61/16/89/991611689.db2.gz COQMLGAJUCUYFQ-ZANVPECISA-N 1 1 239.290 1.734 20 10 BDCDMO C[NH2+]C[C@H](C)CNCc1ccc2c(c1)CCCO2 ZINC001262487707 992893665 /nfs/dbraw/zinc/89/36/65/992893665.db2.gz BQABGGLVVDOIPS-LBPRGKRZSA-N 1 1 248.370 1.957 20 10 BDCDMO Nc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001336286522 994999291 /nfs/dbraw/zinc/99/92/91/994999291.db2.gz QZZQPUFJFLKQLD-TZMCWYRMSA-N 1 1 231.343 1.453 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1C ZINC000368143251 178194776 /nfs/dbraw/zinc/19/47/76/178194776.db2.gz RVGLAHVIOJPGRC-GXTWGEPZSA-N 1 1 233.311 1.982 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1C ZINC000368143251 178194778 /nfs/dbraw/zinc/19/47/78/178194778.db2.gz RVGLAHVIOJPGRC-GXTWGEPZSA-N 1 1 233.311 1.982 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1ccccc1O ZINC000295027393 398264657 /nfs/dbraw/zinc/26/46/57/398264657.db2.gz CVNCIPZGPIYXGH-NSHDSACASA-N 1 1 209.289 1.595 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1cccc(C)c1O ZINC000295021580 398264559 /nfs/dbraw/zinc/26/45/59/398264559.db2.gz CHKODZXRUSDEQH-LBPRGKRZSA-N 1 1 223.316 1.903 20 10 BDCDMO Cn1nncc1C[N@H+](C)Cc1ccccc1O ZINC000091956508 398304184 /nfs/dbraw/zinc/30/41/84/398304184.db2.gz MKABZTVGDLTSBU-UHFFFAOYSA-N 1 1 232.287 1.153 20 10 BDCDMO Cn1nncc1C[N@@H+](C)Cc1ccccc1O ZINC000091956508 398304188 /nfs/dbraw/zinc/30/41/88/398304188.db2.gz MKABZTVGDLTSBU-UHFFFAOYSA-N 1 1 232.287 1.153 20 10 BDCDMO Cc1cccc(C[N@H+](C)CC[C@H](C)O)c1O ZINC000132508540 179066463 /nfs/dbraw/zinc/06/64/63/179066463.db2.gz ANZBVOHVNQILHB-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366554018 179079195 /nfs/dbraw/zinc/07/91/95/179079195.db2.gz AJSYQCMFAKNRBV-NWDGAFQWSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366554018 179079196 /nfs/dbraw/zinc/07/91/96/179079196.db2.gz AJSYQCMFAKNRBV-NWDGAFQWSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@H](CO)C2)c1O ZINC000132498533 179081668 /nfs/dbraw/zinc/08/16/68/179081668.db2.gz IHBUAVIEQVTPEP-NSHDSACASA-N 1 1 221.300 1.515 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000376893026 179084676 /nfs/dbraw/zinc/08/46/76/179084676.db2.gz BFSQMIQKRCAKRW-GFCCVEGCSA-N 1 1 233.311 1.657 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195009705 347439298 /nfs/dbraw/zinc/43/92/98/347439298.db2.gz LKXXWLYXCOJVOG-AWEZNQCLSA-N 1 1 249.310 1.384 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195009705 347439299 /nfs/dbraw/zinc/43/92/99/347439299.db2.gz LKXXWLYXCOJVOG-AWEZNQCLSA-N 1 1 249.310 1.384 20 10 BDCDMO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272263825 188026703 /nfs/dbraw/zinc/02/67/03/188026703.db2.gz KKBCWEFNHSPQHC-VIFPVBQESA-N 1 1 211.236 1.098 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](O)C1 ZINC000272263825 188026705 /nfs/dbraw/zinc/02/67/05/188026705.db2.gz KKBCWEFNHSPQHC-VIFPVBQESA-N 1 1 211.236 1.098 20 10 BDCDMO CCc1nnc(C[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000296156982 364782448 /nfs/dbraw/zinc/78/24/48/364782448.db2.gz WHNIHVBFBHVFHN-UHFFFAOYSA-N 1 1 246.314 1.671 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000158798082 183253950 /nfs/dbraw/zinc/25/39/50/183253950.db2.gz ZDVNVELXJDGRDB-SKDRFNHKSA-N 1 1 239.290 1.782 20 10 BDCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000158753687 183254442 /nfs/dbraw/zinc/25/44/42/183254442.db2.gz UYAHQHCWOXTWIR-VXGBXAGGSA-N 1 1 239.290 1.924 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000093481762 384242711 /nfs/dbraw/zinc/24/27/11/384242711.db2.gz QTEUIZAKAGSRBO-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO COC[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000160242720 384396279 /nfs/dbraw/zinc/39/62/79/384396279.db2.gz GTCYPNBBUCHFCE-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO COC[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000160242720 384396281 /nfs/dbraw/zinc/39/62/81/384396281.db2.gz GTCYPNBBUCHFCE-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062745356 385184524 /nfs/dbraw/zinc/18/45/24/385184524.db2.gz MEXJYXHXBGGISL-WPRPVWTQSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccccc1O ZINC000109773587 385189141 /nfs/dbraw/zinc/18/91/41/385189141.db2.gz JTSYZOGFPJUQEV-JTQLQIEISA-N 1 1 248.326 1.491 20 10 BDCDMO C[C@@H]([NH2+]CCCCO)c1ccc(F)cc1O ZINC000193282125 385391260 /nfs/dbraw/zinc/39/12/60/385391260.db2.gz MPZQROQZCWMVMS-SECBINFHSA-N 1 1 227.279 1.954 20 10 BDCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000179561090 385473342 /nfs/dbraw/zinc/47/33/42/385473342.db2.gz HUTHAPJQIZLUPV-SNVBAGLBSA-N 1 1 237.299 1.633 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157194694 385490256 /nfs/dbraw/zinc/49/02/56/385490256.db2.gz OZYYKNWJWLXBGL-SNVBAGLBSA-N 1 1 234.299 1.008 20 10 BDCDMO CCOc1cccc(C[N@@H+](C)CCCO)c1O ZINC000281817090 385704631 /nfs/dbraw/zinc/70/46/31/385704631.db2.gz QSMYBTNHAZTMCN-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO C[N@@H+](CCn1cncn1)Cc1ccccc1O ZINC000264702179 386263613 /nfs/dbraw/zinc/26/36/13/386263613.db2.gz KFFZUXHFPSHTKH-UHFFFAOYSA-N 1 1 232.287 1.116 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCC[C@H]1O ZINC000289747142 386350101 /nfs/dbraw/zinc/35/01/01/386350101.db2.gz QMAANGTVCDKHMS-DGCLKSJQSA-N 1 1 239.290 1.877 20 10 BDCDMO COc1c(O)c(C[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000278941386 386608509 /nfs/dbraw/zinc/60/85/09/386608509.db2.gz XTMOLTDEFIGHDJ-UHFFFAOYSA-N 1 1 238.243 1.561 20 10 BDCDMO Cc1cc(C[N@@H+](C)CCCO)ccc1N(C)C ZINC000294014832 386673781 /nfs/dbraw/zinc/67/37/81/386673781.db2.gz GYBIOXQVWOSPHS-UHFFFAOYSA-N 1 1 236.359 1.875 20 10 BDCDMO C[C@H](O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000291119794 398089536 /nfs/dbraw/zinc/08/95/36/398089536.db2.gz UTUQNQQEQUKVDO-QMMMGPOBSA-N 1 1 229.707 1.858 20 10 BDCDMO COCC[C@@H](CO)[NH2+]Cc1cccc(F)c1O ZINC000281404540 174388991 /nfs/dbraw/zinc/38/89/91/174388991.db2.gz XSWPKDSNXQOLGK-JTQLQIEISA-N 1 1 243.278 1.018 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000271796996 175157309 /nfs/dbraw/zinc/15/73/09/175157309.db2.gz KCVWRWONCQNXSD-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000271796992 175157578 /nfs/dbraw/zinc/15/75/78/175157578.db2.gz KCVWRWONCQNXSD-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000271774462 175157714 /nfs/dbraw/zinc/15/77/14/175157714.db2.gz FWYQXFKCDSMKSD-LLVKDONJSA-N 1 1 237.299 1.358 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000131950350 175158153 /nfs/dbraw/zinc/15/81/53/175158153.db2.gz ADMZEWQUVKWXCD-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000131950350 175158154 /nfs/dbraw/zinc/15/81/54/175158154.db2.gz ADMZEWQUVKWXCD-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000131952308 175259412 /nfs/dbraw/zinc/25/94/12/175259412.db2.gz JKARMGCLPXXGNV-JTQLQIEISA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1O ZINC000131952308 175259414 /nfs/dbraw/zinc/25/94/14/175259414.db2.gz JKARMGCLPXXGNV-JTQLQIEISA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(C[NH2+]CCCN(C)C)c1O ZINC000019958560 175264550 /nfs/dbraw/zinc/26/45/50/175264550.db2.gz ISDAHFQBGBBKBH-UHFFFAOYSA-N 1 1 238.331 1.442 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000179897348 176301826 /nfs/dbraw/zinc/30/18/26/176301826.db2.gz WCYFXCKNUQWBBP-SECBINFHSA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000179897348 176301827 /nfs/dbraw/zinc/30/18/27/176301827.db2.gz WCYFXCKNUQWBBP-SECBINFHSA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)[C@H](C)CO1 ZINC000035782507 176304049 /nfs/dbraw/zinc/30/40/49/176304049.db2.gz VEUCBBYBKGZDDZ-GHMZBOCLSA-N 1 1 220.316 1.878 20 10 BDCDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N)cc1 ZINC000044412916 177182119 /nfs/dbraw/zinc/18/21/19/177182119.db2.gz JEIPMVWMTHKPFU-CMPLNLGQSA-N 1 1 247.342 1.355 20 10 BDCDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N)cc1 ZINC000044412912 177198454 /nfs/dbraw/zinc/19/84/54/177198454.db2.gz JEIPMVWMTHKPFU-JQWIXIFHSA-N 1 1 247.342 1.355 20 10 BDCDMO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000179897364 177261064 /nfs/dbraw/zinc/26/10/64/177261064.db2.gz WCYFXCKNUQWBBP-VIFPVBQESA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000179897364 177261066 /nfs/dbraw/zinc/26/10/66/177261066.db2.gz WCYFXCKNUQWBBP-VIFPVBQESA-N 1 1 225.263 1.752 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]CC12CC(C1)CO2 ZINC000529663274 324373941 /nfs/dbraw/zinc/37/39/41/324373941.db2.gz QRLBYOIKKHXHAS-UHFFFAOYSA-N 1 1 237.274 1.800 20 10 BDCDMO OCC[N@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000893944034 583256534 /nfs/dbraw/zinc/25/65/34/583256534.db2.gz NHRQWXKTDJDBJR-UHFFFAOYSA-N 1 1 243.253 1.627 20 10 BDCDMO OCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000893944034 583256537 /nfs/dbraw/zinc/25/65/37/583256537.db2.gz NHRQWXKTDJDBJR-UHFFFAOYSA-N 1 1 243.253 1.627 20 10 BDCDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccccc1O ZINC000840979168 583214397 /nfs/dbraw/zinc/21/43/97/583214397.db2.gz RXQNGRDCNFIACW-WCQYABFASA-N 1 1 235.327 1.985 20 10 BDCDMO Cc1ccc(C[NH2+]Cc2cnn(C)n2)c(O)c1 ZINC000877523291 583323072 /nfs/dbraw/zinc/32/30/72/583323072.db2.gz KJWMRQNJJJKABO-UHFFFAOYSA-N 1 1 232.287 1.119 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1ccc(C)cc1O ZINC000877527589 583323549 /nfs/dbraw/zinc/32/35/49/583323549.db2.gz TXNPUJFYGTWESO-UHFFFAOYSA-N 1 1 233.271 1.682 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000857876531 588918675 /nfs/dbraw/zinc/91/86/75/588918675.db2.gz RYLGMBLQZFMJPY-UHFFFAOYSA-N 1 1 247.273 1.813 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000857876531 588918676 /nfs/dbraw/zinc/91/86/76/588918676.db2.gz RYLGMBLQZFMJPY-UHFFFAOYSA-N 1 1 247.273 1.813 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895781279 583728682 /nfs/dbraw/zinc/72/86/82/583728682.db2.gz MEXIJQXUBGQZBU-LNSITVRQSA-N 1 1 247.338 1.903 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897681625 584039127 /nfs/dbraw/zinc/03/91/27/584039127.db2.gz XSTYFWGMVUACMM-PWSUYJOCSA-N 1 1 221.300 1.513 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000841048928 584124057 /nfs/dbraw/zinc/12/40/57/584124057.db2.gz GWACTEOHJBZDMK-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO Cc1ccc(O)c(CNC[C@H]([NH3+])C2CC2)c1 ZINC000841048928 584124058 /nfs/dbraw/zinc/12/40/58/584124058.db2.gz GWACTEOHJBZDMK-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062476 584126251 /nfs/dbraw/zinc/12/62/51/584126251.db2.gz XDYVJAZUXKFROK-RISCZKNCSA-N 1 1 246.354 1.852 20 10 BDCDMO COc1cc(C[N@H+]2CC[C@@H]2CO)c(O)cc1C ZINC000902630672 584647058 /nfs/dbraw/zinc/64/70/58/584647058.db2.gz BYNHZAIBDUNAJL-LLVKDONJSA-N 1 1 237.299 1.276 20 10 BDCDMO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(N(C)C)cc1 ZINC000903964746 584834146 /nfs/dbraw/zinc/83/41/46/584834146.db2.gz PMSFTHGSWNEJQU-OCCSQVGLSA-N 1 1 247.386 1.698 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N)c1 ZINC000817972706 584993895 /nfs/dbraw/zinc/99/38/95/584993895.db2.gz NVQDJRBLEZNTMH-VHSXEESVSA-N 1 1 208.305 1.698 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)NC[C@H](C)[NH3+])c1 ZINC000817972706 584993896 /nfs/dbraw/zinc/99/38/96/584993896.db2.gz NVQDJRBLEZNTMH-VHSXEESVSA-N 1 1 208.305 1.698 20 10 BDCDMO COC1C[NH+](Cc2cccc(C)c2O)C1 ZINC000839131087 585093543 /nfs/dbraw/zinc/09/35/43/585093543.db2.gz MMIQXGGZONQLAU-UHFFFAOYSA-N 1 1 207.273 1.531 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](CCO)CC2CC2)cc1 ZINC000748817717 585196737 /nfs/dbraw/zinc/19/67/37/585196737.db2.gz QUANIIKYENKQCA-UHFFFAOYSA-N 1 1 248.370 1.957 20 10 BDCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000768231537 585534488 /nfs/dbraw/zinc/53/44/88/585534488.db2.gz VTAIWLXNIMUJAH-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](C)C1 ZINC000768231537 585534489 /nfs/dbraw/zinc/53/44/89/585534489.db2.gz VTAIWLXNIMUJAH-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO Cc1cccc(C[N@@H+](CCO)CC2CC2)c1O ZINC000775662226 585682789 /nfs/dbraw/zinc/68/27/89/585682789.db2.gz SHOIRLKIKSELEA-UHFFFAOYSA-N 1 1 235.327 1.905 20 10 BDCDMO C[N@@H+](Cc1cn[nH]c1)Cc1cc(F)ccc1O ZINC000779020512 585744133 /nfs/dbraw/zinc/74/41/33/585744133.db2.gz MPWVITOWIPBUDD-UHFFFAOYSA-N 1 1 235.262 1.886 20 10 BDCDMO Cn1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000808385002 586470384 /nfs/dbraw/zinc/47/03/84/586470384.db2.gz HQVCWIDXRYTKTC-UHFFFAOYSA-N 1 1 243.310 1.645 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1cccc(C)c1O ZINC000809742507 586515877 /nfs/dbraw/zinc/51/58/77/586515877.db2.gz AJQWDRQBDKXFKL-UHFFFAOYSA-N 1 1 233.271 1.682 20 10 BDCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@H](O)C1CC1 ZINC000809753149 586517924 /nfs/dbraw/zinc/51/79/24/586517924.db2.gz ZUNXYDPLBQJDSY-ZDUSSCGKSA-N 1 1 239.290 1.734 20 10 BDCDMO CN1C[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000814172864 586615511 /nfs/dbraw/zinc/61/55/11/586615511.db2.gz BXRBGQLEWYADTF-WCQYABFASA-N 1 1 232.327 1.528 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000816647979 586750554 /nfs/dbraw/zinc/75/05/54/586750554.db2.gz BNZVJOYIFQIKHK-RKDXNWHRSA-N 1 1 235.283 1.961 20 10 BDCDMO CNCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817951218 586848109 /nfs/dbraw/zinc/84/81/09/586848109.db2.gz BRYAWAJVQSXNMS-JTQLQIEISA-N 1 1 208.305 1.571 20 10 BDCDMO C[C@@H](NCCc1ccc(N)cc1)[C@H]1CCCC[NH2+]1 ZINC000817957441 586850316 /nfs/dbraw/zinc/85/03/16/586850316.db2.gz MENXUNLKZZBCLJ-IUODEOHRSA-N 1 1 247.386 1.932 20 10 BDCDMO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCCN1 ZINC000817957441 586850317 /nfs/dbraw/zinc/85/03/17/586850317.db2.gz MENXUNLKZZBCLJ-IUODEOHRSA-N 1 1 247.386 1.932 20 10 BDCDMO C[C@H]1CC[NH2+]C[C@@H]1NCCc1ccc(N)cc1 ZINC000817957615 586850427 /nfs/dbraw/zinc/85/04/27/586850427.db2.gz NGHUBLSRBYLLIF-FZMZJTMJSA-N 1 1 233.359 1.399 20 10 BDCDMO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCc2cccc(O)c21 ZINC000817969216 586855884 /nfs/dbraw/zinc/85/58/84/586855884.db2.gz SDFDXCQHKTUGKH-KGYLQXTDSA-N 1 1 246.354 1.967 20 10 BDCDMO C[C@@H](N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817971822 586859228 /nfs/dbraw/zinc/85/92/28/586859228.db2.gz HJPICKYIAZJNQD-SCZZXKLOSA-N 1 1 206.289 1.316 20 10 BDCDMO CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977179 586861479 /nfs/dbraw/zinc/86/14/79/586861479.db2.gz DHIHXVWLBQTNSS-CZXHOFHRSA-N 1 1 232.327 1.651 20 10 BDCDMO C[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000821390931 587116066 /nfs/dbraw/zinc/11/60/66/587116066.db2.gz FYUMQBVBOPXJAQ-NSHDSACASA-N 1 1 248.326 1.350 20 10 BDCDMO Cc1cc(O)c(C[N@H+](C)CC(N)=O)cc1Cl ZINC000824556554 587276341 /nfs/dbraw/zinc/27/63/41/587276341.db2.gz YIBQFMUYLGJMTR-UHFFFAOYSA-N 1 1 242.706 1.271 20 10 BDCDMO Cc1cc(O)c(C[N@@H+](C)CC(N)=O)cc1Cl ZINC000824556554 587276342 /nfs/dbraw/zinc/27/63/42/587276342.db2.gz YIBQFMUYLGJMTR-UHFFFAOYSA-N 1 1 242.706 1.271 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726554 587284838 /nfs/dbraw/zinc/28/48/38/587284838.db2.gz NPPRMIIIAHCDKS-LBPRGKRZSA-N 1 1 243.253 1.594 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104009 587304294 /nfs/dbraw/zinc/30/42/94/587304294.db2.gz KGLBFHFAKZWZLV-ZYHUDNBSSA-N 1 1 221.300 1.656 20 10 BDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000840958745 587932211 /nfs/dbraw/zinc/93/22/11/587932211.db2.gz UKOFZNOOHIXRRG-LBPRGKRZSA-N 1 1 248.326 1.302 20 10 BDCDMO COc1ccc(O)c(C[NH2+][C@@H]2CCCNC2)c1 ZINC000841042259 587938432 /nfs/dbraw/zinc/93/84/32/587938432.db2.gz HQOPMCQRAFBVIG-LLVKDONJSA-N 1 1 236.315 1.242 20 10 BDCDMO Oc1ccc(Cl)c(F)c1CN[C@H]1CC[NH2+]C1 ZINC000841045052 587938874 /nfs/dbraw/zinc/93/88/74/587938874.db2.gz MHQWMMGABDFHOP-ZETCQYMHSA-N 1 1 244.697 1.636 20 10 BDCDMO COc1ccc(O)c(CN[C@H](C)[C@@H](C)[NH3+])c1 ZINC000841076994 587943855 /nfs/dbraw/zinc/94/38/55/587943855.db2.gz VXYKDLPITNOBDF-RKDXNWHRSA-N 1 1 224.304 1.226 20 10 BDCDMO CC[C@@H]([NH3+])CNCc1cc(OC)ccc1O ZINC000841071968 587944116 /nfs/dbraw/zinc/94/41/16/587944116.db2.gz KOMSHJWRJUFASM-SNVBAGLBSA-N 1 1 224.304 1.228 20 10 BDCDMO CCn1ncc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000845989528 588252607 /nfs/dbraw/zinc/25/26/07/588252607.db2.gz JATQKVNTKVMQQR-SNVBAGLBSA-N 1 1 246.314 1.854 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1O ZINC000848886133 588417216 /nfs/dbraw/zinc/41/72/16/588417216.db2.gz TWAVOVCSVUHBQF-LLVKDONJSA-N 1 1 235.327 1.769 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266835 589902796 /nfs/dbraw/zinc/90/27/96/589902796.db2.gz NDMXYBDJYXXOAT-PHIMTYICSA-N 1 1 249.310 1.479 20 10 BDCDMO COCC[N@@H+](CCO)Cc1c(C)cccc1O ZINC000876683893 590230605 /nfs/dbraw/zinc/23/06/05/590230605.db2.gz YZYBCATXRHSAEN-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877551295 590355168 /nfs/dbraw/zinc/35/51/68/590355168.db2.gz YTTIPAOTBIZNKZ-SECBINFHSA-N 1 1 243.253 1.891 20 10 BDCDMO COC[C@H]1CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877551295 590355170 /nfs/dbraw/zinc/35/51/70/590355170.db2.gz YTTIPAOTBIZNKZ-SECBINFHSA-N 1 1 243.253 1.891 20 10 BDCDMO CCOC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877580798 590365969 /nfs/dbraw/zinc/36/59/69/590365969.db2.gz YPFBEPIOPLNXSG-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877595664 590369605 /nfs/dbraw/zinc/36/96/05/590369605.db2.gz GXPMXPUQOPHVHC-LBPRGKRZSA-N 1 1 248.326 1.269 20 10 BDCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877595662 590370533 /nfs/dbraw/zinc/37/05/33/590370533.db2.gz GXPMXPUQOPHVHC-GFCCVEGCSA-N 1 1 248.326 1.269 20 10 BDCDMO CC[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886489734 592236019 /nfs/dbraw/zinc/23/60/19/592236019.db2.gz POEJCEFRAIURLA-DTWKUNHWSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886489733 592236055 /nfs/dbraw/zinc/23/60/55/592236055.db2.gz POEJCEFRAIURLA-BDAKNGLRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1c(O)cccc1F ZINC000886522915 592244423 /nfs/dbraw/zinc/24/44/23/592244423.db2.gz SYBPNBJNWVTUBA-ZJUUUORDSA-N 1 1 238.306 1.886 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)CCO)c1c(O)cccc1F ZINC000886530089 592247584 /nfs/dbraw/zinc/24/75/84/592247584.db2.gz CUFFGJFBAVBWRI-DTWKUNHWSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886637607 592286061 /nfs/dbraw/zinc/28/60/61/592286061.db2.gz ARFGLWKKSSLAET-RKDXNWHRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946455 631455390 /nfs/dbraw/zinc/45/53/90/631455390.db2.gz GTFRCGNUOGDCCG-WFASDCNBSA-N 1 1 247.386 1.922 20 10 BDCDMO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccccc1O ZINC000783733205 633161617 /nfs/dbraw/zinc/16/16/17/633161617.db2.gz KVNGLAXAURUBQU-SNVBAGLBSA-N 1 1 234.299 1.055 20 10 BDCDMO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccccc1O ZINC000783733205 633161624 /nfs/dbraw/zinc/16/16/24/633161624.db2.gz KVNGLAXAURUBQU-SNVBAGLBSA-N 1 1 234.299 1.055 20 10 BDCDMO C[C@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000928435701 635929157 /nfs/dbraw/zinc/92/91/57/635929157.db2.gz MXSBQHCXUCPTDV-CBAPKCEASA-N 1 1 240.328 1.276 20 10 BDCDMO C[C@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@H+]1C ZINC000928435701 635929160 /nfs/dbraw/zinc/92/91/60/635929160.db2.gz MXSBQHCXUCPTDV-CBAPKCEASA-N 1 1 240.328 1.276 20 10 BDCDMO C[C@H]1[C@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000928435702 635929660 /nfs/dbraw/zinc/92/96/60/635929660.db2.gz MXSBQHCXUCPTDV-IONNQARKSA-N 1 1 240.328 1.276 20 10 BDCDMO C[C@H]1[C@H](NC(=O)C2=CC(=O)CS2)CC[N@H+]1C ZINC000928435702 635929662 /nfs/dbraw/zinc/92/96/62/635929662.db2.gz MXSBQHCXUCPTDV-IONNQARKSA-N 1 1 240.328 1.276 20 10 BDCDMO Cc1cc(O)c(CNC2CC([NH3+])C2)c(Cl)c1 ZINC000906511463 638185213 /nfs/dbraw/zinc/18/52/13/638185213.db2.gz UWMXCOCJYGRYBX-UHFFFAOYSA-N 1 1 240.734 1.933 20 10 BDCDMO Oc1c(F)cccc1C[NH2+][C@H]1CCCOC1 ZINC000165164587 640543254 /nfs/dbraw/zinc/54/32/54/640543254.db2.gz KTHLLUWUYHWQRQ-JTQLQIEISA-N 1 1 225.263 1.800 20 10 BDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000228356279 640871921 /nfs/dbraw/zinc/87/19/21/640871921.db2.gz QPOISAZZDOHLSD-LBPRGKRZSA-N 1 1 234.299 1.103 20 10 BDCDMO C[NH2+]CCCN(C)Cc1ccccc1O ZINC000087472211 640898367 /nfs/dbraw/zinc/89/83/67/640898367.db2.gz FLNRNFVUANHHQJ-UHFFFAOYSA-N 1 1 208.305 1.434 20 10 BDCDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccccc1O ZINC000179558849 642726278 /nfs/dbraw/zinc/72/62/78/642726278.db2.gz ZVZBHXFMJJFVTC-ZYHUDNBSSA-N 1 1 248.326 1.478 20 10 BDCDMO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320319 643201715 /nfs/dbraw/zinc/20/17/15/643201715.db2.gz PSEWQDCDKADKLK-OKILXGFUSA-N 1 1 245.370 1.404 20 10 BDCDMO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1O ZINC000084080958 643643584 /nfs/dbraw/zinc/64/35/84/643643584.db2.gz IXMBOCDFUKMDMD-SECBINFHSA-N 1 1 217.272 1.966 20 10 BDCDMO COc1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000090320512 644589258 /nfs/dbraw/zinc/58/92/58/644589258.db2.gz FDVLGNMKQYNOFM-TXEJJXNPSA-N 1 1 248.326 1.052 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000251658206 644815743 /nfs/dbraw/zinc/81/57/43/644815743.db2.gz GTFRCGNUOGDCCG-IUODEOHRSA-N 1 1 247.386 1.922 20 10 BDCDMO C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1O ZINC000220334411 645890438 /nfs/dbraw/zinc/89/04/38/645890438.db2.gz FZIMEWAYARIGJQ-CABZTGNLSA-N 1 1 238.306 1.843 20 10 BDCDMO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(F)ccc1O ZINC000220334411 645890440 /nfs/dbraw/zinc/89/04/40/645890440.db2.gz FZIMEWAYARIGJQ-CABZTGNLSA-N 1 1 238.306 1.843 20 10 BDCDMO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1 ZINC000083813945 711810433 /nfs/dbraw/zinc/81/04/33/711810433.db2.gz DDUVRVQHSFRSIB-JTQLQIEISA-N 1 1 206.289 1.186 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1 ZINC000083813945 711810434 /nfs/dbraw/zinc/81/04/34/711810434.db2.gz DDUVRVQHSFRSIB-JTQLQIEISA-N 1 1 206.289 1.186 20 10 BDCDMO COC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435955 712195264 /nfs/dbraw/zinc/19/52/64/712195264.db2.gz HCLKVYQSAYWRNR-ZETCQYMHSA-N 1 1 231.242 1.795 20 10 BDCDMO COc1cccc(C[NH2+]Cc2cocn2)c1O ZINC000397988476 711400147 /nfs/dbraw/zinc/40/01/47/711400147.db2.gz VUNVIYNDRVBGHN-UHFFFAOYSA-N 1 1 234.255 1.679 20 10 BDCDMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@]2(C)C1 ZINC000702390172 712050055 /nfs/dbraw/zinc/05/00/55/712050055.db2.gz DHXXEEKHZVHKDA-HIFRSBDPSA-N 1 1 246.354 1.776 20 10 BDCDMO C[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708387213 712191667 /nfs/dbraw/zinc/19/16/67/712191667.db2.gz ARWUQNTXKHTQHA-ZCFIWIBFSA-N 1 1 217.215 1.141 20 10 BDCDMO CC(C)[N@@H+](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000037272251 712564817 /nfs/dbraw/zinc/56/48/17/712564817.db2.gz JOBQIEJFGNXBIQ-UHFFFAOYSA-N 1 1 235.331 1.572 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2CCC(=O)CC2)c1 ZINC001140617252 960458759 /nfs/dbraw/zinc/45/87/59/960458759.db2.gz IXYGQUWOLFUNOA-UHFFFAOYSA-N 1 1 219.284 1.866 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+](C)CCO)c1O ZINC001236254743 979471300 /nfs/dbraw/zinc/47/13/00/979471300.db2.gz CINYGYNHYLWPFM-UHFFFAOYSA-N 1 1 209.289 1.433 20 10 BDCDMO Cc1ccc(C[N@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001140953840 960758840 /nfs/dbraw/zinc/75/88/40/960758840.db2.gz HQAOPWDYKLODAH-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001140953840 960758857 /nfs/dbraw/zinc/75/88/57/960758857.db2.gz HQAOPWDYKLODAH-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(CN2CC[N@H+]3CC[C@H]3C2)c(O)c1 ZINC001140953840 960758864 /nfs/dbraw/zinc/75/88/64/960758864.db2.gz HQAOPWDYKLODAH-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO OC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141155711 960889534 /nfs/dbraw/zinc/88/95/34/960889534.db2.gz GEVMXGHJXHPLHR-SNVBAGLBSA-N 1 1 237.299 1.302 20 10 BDCDMO COC[C@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141156671 960891065 /nfs/dbraw/zinc/89/10/65/960891065.db2.gz QDZBXDRGXXYWJQ-LLVKDONJSA-N 1 1 237.299 1.709 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001141161498 960896006 /nfs/dbraw/zinc/89/60/06/960896006.db2.gz SCNZAJJFPUHLEQ-CNDDSTCGSA-N 1 1 237.274 1.745 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001141161890 960901057 /nfs/dbraw/zinc/90/10/57/960901057.db2.gz HGYDSZNKEWJFIH-CYBMUJFWSA-N 1 1 235.283 1.463 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001141163211 960907754 /nfs/dbraw/zinc/90/77/54/960907754.db2.gz VFFUVCKDMJKRHU-ZYHUDNBSSA-N 1 1 235.283 1.461 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1 ZINC001141163211 960907763 /nfs/dbraw/zinc/90/77/63/960907763.db2.gz VFFUVCKDMJKRHU-ZYHUDNBSSA-N 1 1 235.283 1.461 20 10 BDCDMO C[N@H+](Cc1cc(F)c(F)cc1O)[C@@H]1CCOC1 ZINC001142524669 961476160 /nfs/dbraw/zinc/47/61/60/961476160.db2.gz GCAZBEOAZUCPDD-SECBINFHSA-N 1 1 243.253 1.891 20 10 BDCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)[C@@H]1CCOC1 ZINC001142524669 961476182 /nfs/dbraw/zinc/47/61/82/961476182.db2.gz GCAZBEOAZUCPDD-SECBINFHSA-N 1 1 243.253 1.891 20 10 BDCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccccc2O)C1 ZINC001203550238 966678219 /nfs/dbraw/zinc/67/82/19/966678219.db2.gz NUTHIZZOTUERLT-CYBMUJFWSA-N 1 1 221.300 1.597 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCc2nncn2CC1 ZINC001203550093 966680699 /nfs/dbraw/zinc/68/06/99/966680699.db2.gz HLEGJSSNIRTCQG-UHFFFAOYSA-N 1 1 244.298 1.042 20 10 BDCDMO COc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001203620412 966710089 /nfs/dbraw/zinc/71/00/89/966710089.db2.gz FAIWICYVPGABCU-JTQLQIEISA-N 1 1 249.310 1.954 20 10 BDCDMO COc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001203620412 966710101 /nfs/dbraw/zinc/71/01/01/966710101.db2.gz FAIWICYVPGABCU-JTQLQIEISA-N 1 1 249.310 1.954 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(C)=O)C2)c1 ZINC001203681396 966733969 /nfs/dbraw/zinc/73/39/69/966733969.db2.gz WBFUKQUGGMYUTE-NSHDSACASA-N 1 1 249.310 1.812 20 10 BDCDMO OC[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874427 966792195 /nfs/dbraw/zinc/79/21/95/966792195.db2.gz XIKZZZVSTWLTQO-NSHDSACASA-N 1 1 237.299 1.302 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203930528 966824139 /nfs/dbraw/zinc/82/41/39/966824139.db2.gz XIMMUXNIYOWPNN-OCCSQVGLSA-N 1 1 248.370 1.955 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001204272294 966949830 /nfs/dbraw/zinc/94/98/30/966949830.db2.gz MNHFFSQVEDLIKJ-LLVKDONJSA-N 1 1 237.299 1.445 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCCC1=O ZINC001204271723 966951178 /nfs/dbraw/zinc/95/11/78/966951178.db2.gz CUYGFXWPDIWSBO-SNVBAGLBSA-N 1 1 249.310 1.899 20 10 BDCDMO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204275740 966952311 /nfs/dbraw/zinc/95/23/11/966952311.db2.gz AFAXVADCZRGQNR-SECBINFHSA-N 1 1 235.283 1.651 20 10 BDCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204275740 966952317 /nfs/dbraw/zinc/95/23/17/966952317.db2.gz AFAXVADCZRGQNR-SECBINFHSA-N 1 1 235.283 1.651 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204272933 966953935 /nfs/dbraw/zinc/95/39/35/966953935.db2.gz VFATVHNKFAQSRG-SECBINFHSA-N 1 1 235.283 1.509 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204272933 966953942 /nfs/dbraw/zinc/95/39/42/966953942.db2.gz VFATVHNKFAQSRG-SECBINFHSA-N 1 1 235.283 1.509 20 10 BDCDMO C[N@@H+](Cc1ccc(O)cc1O)C1CCOCC1 ZINC001204271975 966954908 /nfs/dbraw/zinc/95/49/08/966954908.db2.gz FFXFYFSFMHBXPH-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO CN1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204279503 966961809 /nfs/dbraw/zinc/96/18/09/966961809.db2.gz ZULLGHBTOJYFOI-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO C[N@@H+]1CC[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 ZINC001204279503 966961818 /nfs/dbraw/zinc/96/18/18/966961818.db2.gz ZULLGHBTOJYFOI-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 ZINC001204279503 966961832 /nfs/dbraw/zinc/96/18/32/966961832.db2.gz ZULLGHBTOJYFOI-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO Cn1ccnc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001205143862 967390375 /nfs/dbraw/zinc/39/03/75/967390375.db2.gz CHPWTRDNTVWEIC-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO Cn1ccnc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001205143862 967390386 /nfs/dbraw/zinc/39/03/86/967390386.db2.gz CHPWTRDNTVWEIC-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO COCC[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001205202583 967425356 /nfs/dbraw/zinc/42/53/56/967425356.db2.gz YZLWTZLQAVWXMQ-UHFFFAOYSA-N 1 1 239.315 1.787 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137831693 967820140 /nfs/dbraw/zinc/82/01/40/967820140.db2.gz KCZNWFRQZJRWTD-ZJUUUORDSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(O)cccc1F ZINC001137831693 967820143 /nfs/dbraw/zinc/82/01/43/967820143.db2.gz KCZNWFRQZJRWTD-ZJUUUORDSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccccc2O)C1 ZINC001205807184 967829811 /nfs/dbraw/zinc/82/98/11/967829811.db2.gz YKTFJVSHSIQQKS-YPMHNXCESA-N 1 1 234.343 1.951 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000723686027 970004376 /nfs/dbraw/zinc/00/43/76/970004376.db2.gz KEVNDXVNIKGAJO-OKILXGFUSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000723686027 970004383 /nfs/dbraw/zinc/00/43/83/970004383.db2.gz KEVNDXVNIKGAJO-OKILXGFUSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000723686027 970004392 /nfs/dbraw/zinc/00/43/92/970004392.db2.gz KEVNDXVNIKGAJO-OKILXGFUSA-N 1 1 246.354 1.979 20 10 BDCDMO CN1CCN(c2ccc(C3=CC[NH2+]C3)cc2)CC1 ZINC001243110139 970342517 /nfs/dbraw/zinc/34/25/17/970342517.db2.gz BEDVTSIFHYJUSA-UHFFFAOYSA-N 1 1 243.354 1.425 20 10 BDCDMO CCN(CC)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC000297426533 974900552 /nfs/dbraw/zinc/90/05/52/974900552.db2.gz MWDRPMVYFBQGIG-UHFFFAOYSA-N 1 1 234.343 1.709 20 10 BDCDMO CC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC001231594477 977641342 /nfs/dbraw/zinc/64/13/42/977641342.db2.gz FZVFSNPRCVTYSC-ZDUSSCGKSA-N 1 1 249.310 1.490 20 10 BDCDMO CC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC001231594477 977641350 /nfs/dbraw/zinc/64/13/50/977641350.db2.gz FZVFSNPRCVTYSC-ZDUSSCGKSA-N 1 1 249.310 1.490 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@H]1F ZINC001231590803 977644533 /nfs/dbraw/zinc/64/45/33/977644533.db2.gz IBUKYLAFTNFGFR-RYUDHWBXSA-N 1 1 239.290 1.869 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2CCCNC(=O)C2)c(O)c1 ZINC001231841534 977762656 /nfs/dbraw/zinc/76/26/56/977762656.db2.gz BLLQGXAKHGOJMG-UHFFFAOYSA-N 1 1 248.326 1.331 20 10 BDCDMO CC(=O)NC1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231845595 977765864 /nfs/dbraw/zinc/76/58/64/977765864.db2.gz BYYZQARVTWANMQ-UHFFFAOYSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)[nH]n1 ZINC001336854472 978004443 /nfs/dbraw/zinc/00/44/43/978004443.db2.gz OEJPTZIKHPGPGJ-UHFFFAOYSA-N 1 1 235.262 1.853 20 10 BDCDMO Oc1cc(C[N@H+]2CCC3(CC3)C2)cc(O)c1O ZINC001233014196 978414109 /nfs/dbraw/zinc/41/41/09/978414109.db2.gz MRWFRUITYYZFPP-UHFFFAOYSA-N 1 1 235.283 1.789 20 10 BDCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC001337838224 978519716 /nfs/dbraw/zinc/51/97/16/978519716.db2.gz KUVDGSGKNIKBCB-CYBMUJFWSA-N 1 1 248.326 1.796 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233482990 978610054 /nfs/dbraw/zinc/61/00/54/978610054.db2.gz KCRQKHWUMQGQHA-APPZFPTMSA-N 1 1 241.262 1.593 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233482990 978610069 /nfs/dbraw/zinc/61/00/69/978610069.db2.gz KCRQKHWUMQGQHA-APPZFPTMSA-N 1 1 241.262 1.593 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1O ZINC001233485788 978610449 /nfs/dbraw/zinc/61/04/49/978610449.db2.gz KQLLENKCEXFGGT-WCBMZHEXSA-N 1 1 235.283 1.788 20 10 BDCDMO [NH3+][C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001236174518 979434786 /nfs/dbraw/zinc/43/47/86/979434786.db2.gz UTRVPHXDDSPNQQ-MRVPVSSYSA-N 1 1 228.242 1.203 20 10 BDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236250095 979468517 /nfs/dbraw/zinc/46/85/17/979468517.db2.gz BRNYSSRZYOFXTF-CYBMUJFWSA-N 1 1 249.358 1.381 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236250095 979468524 /nfs/dbraw/zinc/46/85/24/979468524.db2.gz BRNYSSRZYOFXTF-CYBMUJFWSA-N 1 1 249.358 1.381 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)N[C@@H](C)C2)c(O)c1 ZINC001236580431 979656126 /nfs/dbraw/zinc/65/61/26/979656126.db2.gz ZRAOJYKUMQMEJC-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H](C)N[C@@H](C)C2)c(O)c1 ZINC001236580431 979656140 /nfs/dbraw/zinc/65/61/40/979656140.db2.gz ZRAOJYKUMQMEJC-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(O)c1C[NH+]1C[C@H](C)N[C@@H](C)C1 ZINC001236580006 979656159 /nfs/dbraw/zinc/65/61/59/979656159.db2.gz PPIMLVNYEMYVMM-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO CCc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC001236795591 979741660 /nfs/dbraw/zinc/74/16/60/979741660.db2.gz WQXLEEVNILSROY-GFCCVEGCSA-N 1 1 248.326 1.262 20 10 BDCDMO COc1cc(C)c(C[N@H+](C)CC(C)=O)c(O)c1 ZINC001236806911 979742974 /nfs/dbraw/zinc/74/29/74/979742974.db2.gz CJEWJFLRJGICMS-UHFFFAOYSA-N 1 1 237.299 1.730 20 10 BDCDMO COc1cc(C)c(C[N@@H+](C)CC(C)=O)c(O)c1 ZINC001236806911 979742986 /nfs/dbraw/zinc/74/29/86/979742986.db2.gz CJEWJFLRJGICMS-UHFFFAOYSA-N 1 1 237.299 1.730 20 10 BDCDMO CC(=O)OC1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237488910 979918302 /nfs/dbraw/zinc/91/83/02/979918302.db2.gz AMWUWFCWINIWOJ-UHFFFAOYSA-N 1 1 235.283 1.448 20 10 BDCDMO Oc1cc(F)c(Cl)cc1CNC[C@H]1CC[NH2+]1 ZINC001580888780 981716713 /nfs/dbraw/zinc/71/67/13/981716713.db2.gz ZGPRRCZDUGKCPY-MRVPVSSYSA-N 1 1 244.697 1.636 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1O ZINC001203875752 982558212 /nfs/dbraw/zinc/55/82/12/982558212.db2.gz UEOYJYZDTLXILH-CQSZACIVSA-N 1 1 249.310 1.710 20 10 BDCDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(N)cc1)C2 ZINC001352788656 982582625 /nfs/dbraw/zinc/58/26/25/982582625.db2.gz FVWOKKREPUSZNZ-TZMCWYRMSA-N 1 1 232.327 1.737 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001138122393 984801087 /nfs/dbraw/zinc/80/10/87/984801087.db2.gz BNEIMWQWYSUEOB-GXSJLCMTSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001138122393 984801090 /nfs/dbraw/zinc/80/10/90/984801090.db2.gz BNEIMWQWYSUEOB-GXSJLCMTSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1cccc2c1C[N@H+]([C@@H]1CCCOC1)CC2 ZINC001254386486 986609469 /nfs/dbraw/zinc/60/94/69/986609469.db2.gz RMGYTSSBYKATHA-GFCCVEGCSA-N 1 1 233.311 1.929 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]12CCOC2 ZINC001117994124 987977428 /nfs/dbraw/zinc/97/74/28/987977428.db2.gz KBQRABXPQAHIQR-AWEZNQCLSA-N 1 1 249.310 1.766 20 10 BDCDMO C[NH2+]C[C@@H](C)CNCc1ccc2c(c1)CCO2 ZINC001118020718 987986413 /nfs/dbraw/zinc/98/64/13/987986413.db2.gz XQOHDPGXWNUQDV-LLVKDONJSA-N 1 1 234.343 1.567 20 10 BDCDMO C[NH2+][C@H](C)CCNCc1ccc(N(C)C)cc1 ZINC001118019109 987988912 /nfs/dbraw/zinc/98/89/12/987988912.db2.gz NMZUMGUHSIECGQ-GFCCVEGCSA-N 1 1 235.375 1.840 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@]12CCOC2 ZINC001118055196 987995982 /nfs/dbraw/zinc/99/59/82/987995982.db2.gz IOUBWKNEIBSWFU-CYBMUJFWSA-N 1 1 237.274 1.896 20 10 BDCDMO Nc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001120268503 989622510 /nfs/dbraw/zinc/62/25/10/989622510.db2.gz GLTNWNCUHJYPLT-GFCCVEGCSA-N 1 1 219.332 1.358 20 10 BDCDMO Cc1cc(C[NH+]2CC(O)C2)ccc1N(C)C ZINC001139669759 990799915 /nfs/dbraw/zinc/79/99/15/990799915.db2.gz MFPKMUJAWLXSSD-UHFFFAOYSA-N 1 1 220.316 1.238 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001137831504 990854493 /nfs/dbraw/zinc/85/44/93/990854493.db2.gz CAHWFUCTTCCTKP-CMPLNLGQSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001137831504 990854496 /nfs/dbraw/zinc/85/44/96/990854496.db2.gz CAHWFUCTTCCTKP-CMPLNLGQSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001137832839 990855247 /nfs/dbraw/zinc/85/52/47/990855247.db2.gz JWBCGAFVLKMMRM-AOOOYVTPSA-N 1 1 237.274 1.610 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001137832839 990855249 /nfs/dbraw/zinc/85/52/49/990855249.db2.gz JWBCGAFVLKMMRM-AOOOYVTPSA-N 1 1 237.274 1.610 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+]C1CSC1 ZINC001308951525 991231573 /nfs/dbraw/zinc/23/15/73/991231573.db2.gz CMIYCEPWHXTSSI-UHFFFAOYSA-N 1 1 231.267 1.875 20 10 BDCDMO CC(=O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC001140058146 991508264 /nfs/dbraw/zinc/50/82/64/991508264.db2.gz SYGWFHPWVPLVFC-UHFFFAOYSA-N 1 1 211.236 1.552 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1cc(F)ccc1O ZINC001140058146 991508274 /nfs/dbraw/zinc/50/82/74/991508274.db2.gz SYGWFHPWVPLVFC-UHFFFAOYSA-N 1 1 211.236 1.552 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001140057114 991509572 /nfs/dbraw/zinc/50/95/72/991509572.db2.gz COQMLGAJUCUYFQ-RNCFNFMXSA-N 1 1 239.290 1.734 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140058793 991509957 /nfs/dbraw/zinc/50/99/57/991509957.db2.gz LUOLRSBJGGJMOJ-TVQRCGJNSA-N 1 1 237.274 1.752 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140055440 991510148 /nfs/dbraw/zinc/51/01/48/991510148.db2.gz YOSGWOWLGOQEBC-BXKDBHETSA-N 1 1 239.290 1.877 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001140178834 991548487 /nfs/dbraw/zinc/54/84/87/991548487.db2.gz ZIASHKQRANJSGI-NEPJUHHUSA-N 1 1 235.327 1.964 20 10 BDCDMO Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC001334775339 994634416 /nfs/dbraw/zinc/63/44/16/994634416.db2.gz WVGDREFMIFWKOQ-DZGCQCFKSA-N 1 1 246.354 1.863 20 10 BDCDMO Nc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001336286509 994999807 /nfs/dbraw/zinc/99/98/07/994999807.db2.gz QZZQPUFJFLKQLD-JSGCOSHPSA-N 1 1 231.343 1.453 20 10 BDCDMO CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000295021950 398264523 /nfs/dbraw/zinc/26/45/23/398264523.db2.gz UXQOXDYBDXZFBN-GFCCVEGCSA-N 1 1 223.316 1.985 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1O ZINC000272378026 187335973 /nfs/dbraw/zinc/33/59/73/187335973.db2.gz HIESWTNHJVMHHW-MFKMUULPSA-N 1 1 221.300 1.595 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000036900214 343326652 /nfs/dbraw/zinc/32/66/52/343326652.db2.gz UMCZQSMRPMFITA-UHFFFAOYSA-N 1 1 230.315 1.766 20 10 BDCDMO Cc1cccc(C[N@H+](C)CC(C)(C)O)c1O ZINC000271875392 179064039 /nfs/dbraw/zinc/06/40/39/179064039.db2.gz SZBCRUCVDNVFHD-UHFFFAOYSA-N 1 1 223.316 1.903 20 10 BDCDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000280572524 351851463 /nfs/dbraw/zinc/85/14/63/351851463.db2.gz VZJZGNHNGSFBGZ-GFCCVEGCSA-N 1 1 239.290 1.734 20 10 BDCDMO OCCCC[NH2+]Cc1cccc(F)c1O ZINC000236500000 183053235 /nfs/dbraw/zinc/05/32/35/183053235.db2.gz LMYHTUBZIWKOFP-UHFFFAOYSA-N 1 1 213.252 1.393 20 10 BDCDMO OCC[N@@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000276117603 183068487 /nfs/dbraw/zinc/06/84/87/183068487.db2.gz XXRFNSBLIUWWDI-UHFFFAOYSA-N 1 1 239.290 1.878 20 10 BDCDMO OCCOCCC[NH2+]Cc1cccc(F)c1O ZINC000227521915 183082931 /nfs/dbraw/zinc/08/29/31/183082931.db2.gz QREXDNARTSIPCP-UHFFFAOYSA-N 1 1 243.278 1.020 20 10 BDCDMO OC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272347382 183151053 /nfs/dbraw/zinc/15/10/53/183151053.db2.gz ZYEIYRRSWBLSON-SNVBAGLBSA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272347382 183151055 /nfs/dbraw/zinc/15/10/55/183151055.db2.gz ZYEIYRRSWBLSON-SNVBAGLBSA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000179871549 183274427 /nfs/dbraw/zinc/27/44/27/183274427.db2.gz JKORSLQFZOMKQX-LLVKDONJSA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366559592 183301818 /nfs/dbraw/zinc/30/18/18/183301818.db2.gz NUPSZDVLXJSIMU-PWSUYJOCSA-N 1 1 205.257 1.365 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366559592 183301820 /nfs/dbraw/zinc/30/18/20/183301820.db2.gz NUPSZDVLXJSIMU-PWSUYJOCSA-N 1 1 205.257 1.365 20 10 BDCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000194949261 169179635 /nfs/dbraw/zinc/17/96/35/169179635.db2.gz DGHLEDRPVCJGIE-LLVKDONJSA-N 1 1 223.316 1.985 20 10 BDCDMO Cn1cc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC000111235163 383842771 /nfs/dbraw/zinc/84/27/71/383842771.db2.gz DFQOQQMVQOVKRU-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCOC1 ZINC000132771909 384204740 /nfs/dbraw/zinc/20/47/40/384204740.db2.gz DDXWSEYTYWAFIY-LLVKDONJSA-N 1 1 207.273 1.613 20 10 BDCDMO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1O ZINC000120532694 384357185 /nfs/dbraw/zinc/35/71/85/384357185.db2.gz YEHMZRZVOOADNG-LLVKDONJSA-N 1 1 249.310 1.777 20 10 BDCDMO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000083218836 384752566 /nfs/dbraw/zinc/75/25/66/384752566.db2.gz KEVIVFIWRQBOCL-BDAKNGLRSA-N 1 1 227.279 1.810 20 10 BDCDMO C[C@H](C[S@](C)=O)[NH2+]Cc1cccc(F)c1O ZINC000164406189 384980478 /nfs/dbraw/zinc/98/04/78/384980478.db2.gz GTTGYFZPKKAVOG-VPTHRUTESA-N 1 1 245.319 1.388 20 10 BDCDMO CCOc1ccc(O)c(C[N@@H+](C)CCO)c1 ZINC000127929145 384964558 /nfs/dbraw/zinc/96/45/58/384964558.db2.gz NZVMTTYIRKWYNK-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179555447 385474399 /nfs/dbraw/zinc/47/43/99/385474399.db2.gz WEYDOZLTJBTVCL-LLVKDONJSA-N 1 1 235.283 1.530 20 10 BDCDMO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179582459 385475594 /nfs/dbraw/zinc/47/55/94/385475594.db2.gz KRJZDHBXPKSMSC-GFCCVEGCSA-N 1 1 248.326 1.493 20 10 BDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCF)c1 ZINC000280975899 385621655 /nfs/dbraw/zinc/62/16/55/385621655.db2.gz ISVRMRVCRVVYRI-MRVPVSSYSA-N 1 1 241.262 1.799 20 10 BDCDMO C[N@@H+](CCc1cnccn1)Cc1ccccc1O ZINC000273818383 386040516 /nfs/dbraw/zinc/04/05/16/386040516.db2.gz ZZSRZBPLGULIKF-UHFFFAOYSA-N 1 1 243.310 1.857 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000289517181 386320045 /nfs/dbraw/zinc/32/00/45/386320045.db2.gz VCTYDJQENQJXAZ-JTQLQIEISA-N 1 1 209.289 1.513 20 10 BDCDMO Cc1cc(C[N@H+](C)C[C@@H](C)O)ccc1N(C)C ZINC000293472032 386664195 /nfs/dbraw/zinc/66/41/95/386664195.db2.gz FAIFZEJACFJQOK-GFCCVEGCSA-N 1 1 236.359 1.874 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000279961766 386759000 /nfs/dbraw/zinc/75/90/00/386759000.db2.gz YJFPGJDNGOMTBR-CQSZACIVSA-N 1 1 248.370 1.955 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1O ZINC000293535664 386832832 /nfs/dbraw/zinc/83/28/32/386832832.db2.gz CGONFASYGWKUNL-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000372653893 387319186 /nfs/dbraw/zinc/31/91/86/387319186.db2.gz ZBMKFUGLBDBWAY-RYUDHWBXSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1nnc(CC[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000272872764 389035406 /nfs/dbraw/zinc/03/54/06/389035406.db2.gz PDAYLXFRXONCDA-SECBINFHSA-N 1 1 246.314 1.712 20 10 BDCDMO Cc1nc(CC[NH2+][C@H](C)c2ccccc2O)n[nH]1 ZINC000272872764 389035402 /nfs/dbraw/zinc/03/54/02/389035402.db2.gz PDAYLXFRXONCDA-SECBINFHSA-N 1 1 246.314 1.712 20 10 BDCDMO CCOC1C[NH+](Cc2ccccc2O)C1 ZINC000297492942 170336512 /nfs/dbraw/zinc/33/65/12/170336512.db2.gz UEXXUYMYCZVBED-UHFFFAOYSA-N 1 1 207.273 1.613 20 10 BDCDMO CCOC1C[NH+](Cc2cccc(C)c2O)C1 ZINC000297382500 170336792 /nfs/dbraw/zinc/33/67/92/170336792.db2.gz IRADMJYQVNVGEC-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO CCOC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000297497635 170336815 /nfs/dbraw/zinc/33/68/15/170336815.db2.gz URASAJIILLIMTH-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1O ZINC000271407560 171087674 /nfs/dbraw/zinc/08/76/74/171087674.db2.gz WZSGUNHIKIWNIY-RISCZKNCSA-N 1 1 235.327 1.903 20 10 BDCDMO COc1ccc(O)c(C[N@H+](C2CC2)C2COC2)c1 ZINC000295962861 175158100 /nfs/dbraw/zinc/15/81/00/175158100.db2.gz HYRYGFCYRGWLAM-UHFFFAOYSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C2CC2)C2COC2)c1 ZINC000295962861 175158101 /nfs/dbraw/zinc/15/81/01/175158101.db2.gz HYRYGFCYRGWLAM-UHFFFAOYSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000375285416 175261165 /nfs/dbraw/zinc/26/11/65/175261165.db2.gz BLMQQWHMYBISHC-GFCCVEGCSA-N 1 1 249.310 1.358 20 10 BDCDMO C[NH2+]C[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000853249156 588729104 /nfs/dbraw/zinc/72/91/04/588729104.db2.gz NWZCTDXPJFERKT-ZETCQYMHSA-N 1 1 246.713 1.882 20 10 BDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3C[C@H]3C1)OCO2 ZINC000853581668 588749889 /nfs/dbraw/zinc/74/98/89/588749889.db2.gz WXJYUGCPYSAQGL-UWVGGRQHSA-N 1 1 247.294 1.963 20 10 BDCDMO CNC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000854233096 588781602 /nfs/dbraw/zinc/78/16/02/588781602.db2.gz XMEXQAOZVZJPAM-QWRGUYRKSA-N 1 1 222.332 1.959 20 10 BDCDMO C[NH2+]C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O ZINC000854231719 583083716 /nfs/dbraw/zinc/08/37/16/583083716.db2.gz KSAWDYFCXHIHRK-HTQZYQBOSA-N 1 1 244.285 1.929 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CO ZINC000857061320 588884921 /nfs/dbraw/zinc/88/49/21/588884921.db2.gz OIGGLOUYIHGJDY-WCQYABFASA-N 1 1 235.327 1.843 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000857876313 588919076 /nfs/dbraw/zinc/91/90/76/588919076.db2.gz CFNDODZHVLUDFD-UHFFFAOYSA-N 1 1 229.283 1.674 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1C ZINC000895645857 583701105 /nfs/dbraw/zinc/70/11/05/583701105.db2.gz DOCUOQJXOFUNGA-TZMCWYRMSA-N 1 1 233.311 1.576 20 10 BDCDMO CO[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000895968590 583755460 /nfs/dbraw/zinc/75/54/60/583755460.db2.gz DPEFHLMSTUJIBK-GFCCVEGCSA-N 1 1 223.272 1.197 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000895968590 583755461 /nfs/dbraw/zinc/75/54/61/583755461.db2.gz DPEFHLMSTUJIBK-GFCCVEGCSA-N 1 1 223.272 1.197 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC000897675612 584035628 /nfs/dbraw/zinc/03/56/28/584035628.db2.gz AUWIAENZJMZSSZ-GXFFZTMASA-N 1 1 221.300 1.513 20 10 BDCDMO CCOc1ccc(O)c(CNCCC[NH2+]C)c1 ZINC000841043141 584121361 /nfs/dbraw/zinc/12/13/61/584121361.db2.gz RMVOODNKAYXKNG-UHFFFAOYSA-N 1 1 238.331 1.490 20 10 BDCDMO COc1cccc(CNC[C@H]([NH3+])C2CC2)c1O ZINC000841049685 584124629 /nfs/dbraw/zinc/12/46/29/584124629.db2.gz MTXCWEIXTDTYOB-NSHDSACASA-N 1 1 236.315 1.228 20 10 BDCDMO C[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062477 584126520 /nfs/dbraw/zinc/12/65/20/584126520.db2.gz XDYVJAZUXKFROK-SMDDNHRTSA-N 1 1 246.354 1.852 20 10 BDCDMO C[C@H]([NH2+]C[C@H]1CCN1C)c1c(O)cccc1F ZINC000903316348 584749719 /nfs/dbraw/zinc/74/97/19/584749719.db2.gz OCHASULLHVTJEC-VHSXEESVSA-N 1 1 238.306 1.886 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](N)C(C)(C)C2)c1O ZINC000903986652 584835612 /nfs/dbraw/zinc/83/56/12/584835612.db2.gz OTFUVSJYCKWVSH-GFCCVEGCSA-N 1 1 234.343 1.870 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](N)C(C)(C)C2)c1O ZINC000903986652 584835613 /nfs/dbraw/zinc/83/56/13/584835613.db2.gz OTFUVSJYCKWVSH-GFCCVEGCSA-N 1 1 234.343 1.870 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876749412 584887006 /nfs/dbraw/zinc/88/70/06/584887006.db2.gz KAHQHSDLIWFDMU-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO CC[C@@H](N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817980641 584994706 /nfs/dbraw/zinc/99/47/06/584994706.db2.gz WFAXKQLJADDYJS-GHMZBOCLSA-N 1 1 220.316 1.706 20 10 BDCDMO COCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000768241225 585534282 /nfs/dbraw/zinc/53/42/82/585534282.db2.gz PFLOEQUYWNKILF-UHFFFAOYSA-N 1 1 225.288 1.479 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000769431599 585556532 /nfs/dbraw/zinc/55/65/32/585556532.db2.gz CILGKKYSRPSETL-PHIMTYICSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1cccc(O)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000769431599 585556533 /nfs/dbraw/zinc/55/65/33/585556533.db2.gz CILGKKYSRPSETL-PHIMTYICSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@@H](OC)C1 ZINC000769447855 585556762 /nfs/dbraw/zinc/55/67/62/585556762.db2.gz YYGNHYLFMHKRPH-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)CC[C@@H](C)O ZINC000769450858 585557236 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ZINC000793617530 586024304 /nfs/dbraw/zinc/02/43/04/586024304.db2.gz KXOJYLMJHJHIQT-DZGCQCFKSA-N 1 1 245.322 1.854 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000802661121 586308714 /nfs/dbraw/zinc/30/87/14/586308714.db2.gz IZJRZYFEFXAIII-ZDUSSCGKSA-N 1 1 239.290 1.607 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000802661120 586309125 /nfs/dbraw/zinc/30/91/25/586309125.db2.gz IZJRZYFEFXAIII-CYBMUJFWSA-N 1 1 239.290 1.607 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000809746295 586517297 /nfs/dbraw/zinc/51/72/97/586517297.db2.gz SPONGWQQSFEFGS-MRVPVSSYSA-N 1 1 229.707 1.858 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000816647978 586750461 /nfs/dbraw/zinc/75/04/61/586750461.db2.gz BNZVJOYIFQIKHK-IUCAKERBSA-N 1 1 235.283 1.961 20 10 BDCDMO CNCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817951891 586847934 /nfs/dbraw/zinc/84/79/34/586847934.db2.gz KWIZQGOYILCVAH-NSHDSACASA-N 1 1 222.332 1.879 20 10 BDCDMO C[C@@H]1CC[NH2+]C[C@H]1NCCc1ccc(N)cc1 ZINC000817957613 586850825 /nfs/dbraw/zinc/85/08/25/586850825.db2.gz NGHUBLSRBYLLIF-BXUZGUMPSA-N 1 1 233.359 1.399 20 10 BDCDMO CC(C)[C@H](N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817959137 586851819 /nfs/dbraw/zinc/85/18/19/586851819.db2.gz PODWISYSHDBUES-VXGBXAGGSA-N 1 1 234.343 1.952 20 10 BDCDMO Cc1ccc(O)c([C@H](C)NCC(F)(F)C[NH3+])c1 ZINC000817966148 586854637 /nfs/dbraw/zinc/85/46/37/586854637.db2.gz HFHYEVWQFBZVJA-VIFPVBQESA-N 1 1 244.285 1.945 20 10 BDCDMO [NH3+]CC(F)(F)CN[C@H]1CCc2cccc(O)c21 ZINC000817967172 586855895 /nfs/dbraw/zinc/85/58/95/586855895.db2.gz DNAQPNKAMFZDLB-VIFPVBQESA-N 1 1 242.269 1.563 20 10 BDCDMO CC[C@H](N)C[NH2+][C@H](C)c1ccccc1O ZINC000817979267 586861373 /nfs/dbraw/zinc/86/13/73/586861373.db2.gz JFSCAKVVELTULP-ZJUUUORDSA-N 1 1 208.305 1.780 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1C ZINC000825104451 587305107 /nfs/dbraw/zinc/30/51/07/587305107.db2.gz XGNUUKYSNOZOOZ-DGCLKSJQSA-N 1 1 235.327 1.964 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC000825311062 587314125 /nfs/dbraw/zinc/31/41/25/587314125.db2.gz GARUUWNZYZCRQG-PWSUYJOCSA-N 1 1 221.300 1.595 20 10 BDCDMO Oc1ccc(F)cc1CN1CCc2n[nH]nc2C1 ZINC000827884625 587407754 /nfs/dbraw/zinc/40/77/54/587407754.db2.gz DWFSZKZYNDCEHX-UHFFFAOYSA-N 1 1 248.261 1.208 20 10 BDCDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1O ZINC000827964032 587413667 /nfs/dbraw/zinc/41/36/67/587413667.db2.gz GFXAVRVJWSYUBU-WDEREUQCSA-N 1 1 248.326 1.521 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[NH+]1CCOCC1 ZINC000840908751 587929242 /nfs/dbraw/zinc/92/92/42/587929242.db2.gz WNBREUCIGOXVGP-UHFFFAOYSA-N 1 1 234.343 1.893 20 10 BDCDMO Oc1ccc(F)cc1CNC1CC[NH2+]CC1 ZINC000841026655 587935618 /nfs/dbraw/zinc/93/56/18/587935618.db2.gz NQPCUZKSQHKSAY-UHFFFAOYSA-N 1 1 224.279 1.373 20 10 BDCDMO CCOc1cccc(CNCC(C)(C)[NH3+])c1O ZINC000841030474 587935901 /nfs/dbraw/zinc/93/59/01/587935901.db2.gz ILVMFZBBXLJTCQ-UHFFFAOYSA-N 1 1 238.331 1.618 20 10 BDCDMO CCC([NH3+])(CC)CNCc1ccccc1O ZINC000841031574 587936625 /nfs/dbraw/zinc/93/66/25/587936625.db2.gz WSPUDPSQKVKJNQ-UHFFFAOYSA-N 1 1 222.332 1.999 20 10 BDCDMO CCN1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841037171 587937509 /nfs/dbraw/zinc/93/75/09/587937509.db2.gz YWDWLJXXBCNEBK-UHFFFAOYSA-N 1 1 247.386 1.885 20 10 BDCDMO C[NH2+]CCCNCc1ccc(N(C)C)c(F)c1 ZINC000841041414 587938555 /nfs/dbraw/zinc/93/85/55/587938555.db2.gz FNWJEKBKUXPDDO-UHFFFAOYSA-N 1 1 239.338 1.591 20 10 BDCDMO Cc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1O ZINC000841077097 587943622 /nfs/dbraw/zinc/94/36/22/587943622.db2.gz ZFARDFFBOUIUCR-VHSXEESVSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cccc(CN[C@H](C)[C@H](C)[NH3+])c1O ZINC000841077097 587943623 /nfs/dbraw/zinc/94/36/23/587943623.db2.gz ZFARDFFBOUIUCR-VHSXEESVSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000841077028 587943710 /nfs/dbraw/zinc/94/37/10/587943710.db2.gz WYKWVLSLLHCHFD-ZJUUUORDSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1ccc(O)c(CN[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841077028 587943711 /nfs/dbraw/zinc/94/37/11/587943711.db2.gz WYKWVLSLLHCHFD-ZJUUUORDSA-N 1 1 208.305 1.526 20 10 BDCDMO C[N@@H+](CCC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000843051321 588077026 /nfs/dbraw/zinc/07/70/26/588077026.db2.gz WOSXXBJPJOXTPC-UHFFFAOYSA-N 1 1 246.713 1.965 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844304950 588183166 /nfs/dbraw/zinc/18/31/66/588183166.db2.gz AXLGQPOHELPFOH-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO CCc1cccc(C[N@@H+](CCO)C2CC2)c1O ZINC000848882046 588416379 /nfs/dbraw/zinc/41/63/79/588416379.db2.gz WGOJGTMKQBCLDJ-UHFFFAOYSA-N 1 1 235.327 1.911 20 10 BDCDMO CON(C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850479433 588550352 /nfs/dbraw/zinc/55/03/52/588550352.db2.gz SUGQYOWMYOEIFV-VIFPVBQESA-N 1 1 242.294 1.675 20 10 BDCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876621908 590222956 /nfs/dbraw/zinc/22/29/56/590222956.db2.gz LYVRKHAPWNJAES-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](CCO)CC1CC1 ZINC000876639271 590225101 /nfs/dbraw/zinc/22/51/01/590225101.db2.gz NLIRFMQPFRVNCG-UHFFFAOYSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC000876689979 590231146 /nfs/dbraw/zinc/23/11/46/590231146.db2.gz CZRLMTGEYSEJNF-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1ccc(C[N@H+]2CCNC(=O)CC2)c(O)c1 ZINC000876692474 590231235 /nfs/dbraw/zinc/23/12/35/590231235.db2.gz UJCVNZBITOJNAY-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CC[C@H](C)O ZINC000876745424 590236605 /nfs/dbraw/zinc/23/66/05/590236605.db2.gz HJSJSPZZEVFYLF-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(O)c1C[NH2+]Cc1cocn1 ZINC000877046443 590273784 /nfs/dbraw/zinc/27/37/84/590273784.db2.gz LWBRDIJYICJPOU-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1c(C)cccc1O ZINC000877490820 590340455 /nfs/dbraw/zinc/34/04/55/590340455.db2.gz JEEOZVBWLSUJFG-SNVBAGLBSA-N 1 1 237.299 1.694 20 10 BDCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)cccc1O ZINC000877490820 590340458 /nfs/dbraw/zinc/34/04/58/590340458.db2.gz JEEOZVBWLSUJFG-SNVBAGLBSA-N 1 1 237.299 1.694 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@H](C)CO ZINC000877526810 590347802 /nfs/dbraw/zinc/34/78/02/590347802.db2.gz LVNQDWKNJBSOKW-SNVBAGLBSA-N 1 1 209.289 1.513 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H](C)CCO ZINC000877614611 590373907 /nfs/dbraw/zinc/37/39/07/590373907.db2.gz FRRYHKXSPRQMCP-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO CCn1ncc(C[NH2+]Cc2c(C)cccc2O)n1 ZINC000877648225 590384039 /nfs/dbraw/zinc/38/40/39/590384039.db2.gz MICJBZHEZJFBDW-UHFFFAOYSA-N 1 1 246.314 1.602 20 10 BDCDMO CON(C)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883171064 591560493 /nfs/dbraw/zinc/56/04/93/591560493.db2.gz NCBSBNTUIVYZKH-UHFFFAOYSA-N 1 1 246.257 1.253 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000132703700 591731161 /nfs/dbraw/zinc/73/11/61/591731161.db2.gz YCVVFCBDLUXTCJ-UHFFFAOYSA-N 1 1 209.289 1.779 20 10 BDCDMO C[C@@H]([NH2+]CC1(CO)CC1)c1c(O)cccc1F ZINC000886534230 592249266 /nfs/dbraw/zinc/24/92/66/592249266.db2.gz DKNGXRAOYWRCJF-SECBINFHSA-N 1 1 239.290 1.954 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1c(O)cccc1F ZINC000886639537 592286305 /nfs/dbraw/zinc/28/63/05/592286305.db2.gz FVEWUDVJLUXPCT-CIUDSAMLSA-N 1 1 225.263 1.705 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CNOC1)c1cc(F)cc(F)c1O ZINC000925870106 635578481 /nfs/dbraw/zinc/57/84/81/635578481.db2.gz UIEFDZKARCWWOC-SVRRBLITSA-N 1 1 244.241 1.224 20 10 BDCDMO Oc1ccccc1C[NH2+]C[C@H]1CCCCN1 ZINC000236564578 635603688 /nfs/dbraw/zinc/60/36/88/635603688.db2.gz IXSDPYCEWSQMMZ-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO CC(=O)NCC[N@H+](C)Cc1cccc(C)c1O ZINC000308319666 631284759 /nfs/dbraw/zinc/28/47/59/631284759.db2.gz XTXHBBASJSOJST-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccccc1O ZINC000782047304 632470086 /nfs/dbraw/zinc/47/00/86/632470086.db2.gz AALLBSBGAWJOHO-ZDUSSCGKSA-N 1 1 249.310 1.776 20 10 BDCDMO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccccc1O ZINC000782047304 632470092 /nfs/dbraw/zinc/47/00/92/632470092.db2.gz AALLBSBGAWJOHO-ZDUSSCGKSA-N 1 1 249.310 1.776 20 10 BDCDMO OC[C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000294100235 633752753 /nfs/dbraw/zinc/75/27/53/633752753.db2.gz RZZTZBIDJZAPRL-LBPRGKRZSA-N 1 1 235.327 1.987 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC000190067278 634185038 /nfs/dbraw/zinc/18/50/38/634185038.db2.gz GNGPUJGEVDVCBG-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO C[N@H+](Cc1ccccc1O)CC1CC(O)C1 ZINC000191159483 634205006 /nfs/dbraw/zinc/20/50/06/634205006.db2.gz SQBJBSFEBFIZMQ-UHFFFAOYSA-N 1 1 221.300 1.595 20 10 BDCDMO Cc1cc(N(C)C)ccc1CNC1CC([NH3+])C1 ZINC000906510558 638184074 /nfs/dbraw/zinc/18/40/74/638184074.db2.gz LPWUDMQZPKRRQH-UHFFFAOYSA-N 1 1 233.359 1.640 20 10 BDCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCOC1 ZINC000165173198 638590579 /nfs/dbraw/zinc/59/05/79/638590579.db2.gz VODIYAJSRUJQJJ-SECBINFHSA-N 1 1 211.236 1.410 20 10 BDCDMO CN1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000044535358 640402051 /nfs/dbraw/zinc/40/20/51/640402051.db2.gz BTCPKWITVRYGRB-LBPRGKRZSA-N 1 1 234.343 1.824 20 10 BDCDMO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000251658209 644815036 /nfs/dbraw/zinc/81/50/36/644815036.db2.gz GTFRCGNUOGDCCG-SWLSCSKDSA-N 1 1 247.386 1.922 20 10 BDCDMO COc1ccc(O)c(CN(C)CCC[NH3+])c1 ZINC000227745211 711832773 /nfs/dbraw/zinc/83/27/73/711832773.db2.gz ONDDSJZVJDOWSJ-UHFFFAOYSA-N 1 1 224.304 1.181 20 10 BDCDMO CCC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708483694 712184156 /nfs/dbraw/zinc/18/41/56/712184156.db2.gz FURQSTVMRKVDTE-JTQLQIEISA-N 1 1 245.269 1.921 20 10 BDCDMO CC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708394242 712193003 /nfs/dbraw/zinc/19/30/03/712193003.db2.gz TVGRAERKFRRHSH-SECBINFHSA-N 1 1 231.242 1.531 20 10 BDCDMO C[N@@H+](CCC[NH3+])Cc1cccc(F)c1[O-] ZINC000381787362 710715658 /nfs/dbraw/zinc/71/56/58/710715658.db2.gz ZETAEQOBQSIHHN-UHFFFAOYSA-N 1 1 212.268 1.312 20 10 BDCDMO CN(C)c1ccc(CN(C)C2CC([NH3+])C2)cc1 ZINC000384735022 710953202 /nfs/dbraw/zinc/95/32/02/710953202.db2.gz BWWYOWLVIIEMCB-UHFFFAOYSA-N 1 1 233.359 1.674 20 10 BDCDMO CN(Cc1cc(F)ccc1O)C1CC([NH3+])C1 ZINC000395011850 711199544 /nfs/dbraw/zinc/19/95/44/711199544.db2.gz UWAVZIFFURJKAS-UHFFFAOYSA-N 1 1 224.279 1.453 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(N)=O)C2)cc1C ZINC000054543741 711798196 /nfs/dbraw/zinc/79/81/96/711798196.db2.gz DCDVVEHDAYHIFD-NSHDSACASA-N 1 1 248.326 1.316 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOCCF ZINC000708394205 712192498 /nfs/dbraw/zinc/19/24/98/712192498.db2.gz SCLDXYWIPXEECL-UHFFFAOYSA-N 1 1 249.232 1.746 20 10 BDCDMO OCC1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708440535 712194845 /nfs/dbraw/zinc/19/48/45/712194845.db2.gz CGOQWDMKXGXVFC-UHFFFAOYSA-N 1 1 243.253 1.533 20 10 BDCDMO COCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708436291 712194954 /nfs/dbraw/zinc/19/49/54/712194954.db2.gz KUHQQYNEERQDFX-UHFFFAOYSA-N 1 1 231.242 1.797 20 10 BDCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](C)O ZINC000708535838 712212219 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ZINC001232834962 978310953 /nfs/dbraw/zinc/31/09/53/978310953.db2.gz SHHVVRTUAMLMKQ-UHFFFAOYSA-N 1 1 249.358 1.204 20 10 BDCDMO Oc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc(O)c1O ZINC001233015457 978411858 /nfs/dbraw/zinc/41/18/58/978411858.db2.gz OIEIZICDWBWEIN-VHSXEESVSA-N 1 1 235.283 1.788 20 10 BDCDMO Oc1cc(C[N@H+]2CCC[C@H]3C[C@H]32)cc(O)c1O ZINC001233015457 978411871 /nfs/dbraw/zinc/41/18/71/978411871.db2.gz OIEIZICDWBWEIN-VHSXEESVSA-N 1 1 235.283 1.788 20 10 BDCDMO CC(C)[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482356 978611247 /nfs/dbraw/zinc/61/12/47/978611247.db2.gz KZAWAKAMCRKKNS-UHFFFAOYSA-N 1 1 211.261 1.644 20 10 BDCDMO C[N@H+](Cc1cc(O)c(O)cc1O)CC1CC1 ZINC001233482521 978613444 /nfs/dbraw/zinc/61/34/44/978613444.db2.gz QWVRBCQQHRTVNJ-UHFFFAOYSA-N 1 1 223.272 1.645 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001236028364 979324918 /nfs/dbraw/zinc/32/49/18/979324918.db2.gz POCUVJGAJRJDBO-GWCFXTLKSA-N 1 1 218.300 1.234 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001236028364 979324933 /nfs/dbraw/zinc/32/49/33/979324933.db2.gz POCUVJGAJRJDBO-GWCFXTLKSA-N 1 1 218.300 1.234 20 10 BDCDMO [NH3+][C@@]12C[C@@H]1CN(Cc1c(O)cc(F)cc1F)C2 ZINC001236027369 979326202 /nfs/dbraw/zinc/32/62/02/979326202.db2.gz OOWLBLLCSMRSKE-JMCQJSRRSA-N 1 1 240.253 1.203 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC001182409962 979527771 /nfs/dbraw/zinc/52/77/71/979527771.db2.gz ODYQUPPXLBFHQB-OCAPTIKFSA-N 1 1 229.226 1.283 20 10 BDCDMO CCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001236782793 979733891 /nfs/dbraw/zinc/73/38/91/979733891.db2.gz FBTMGVOKVLCKHF-WCQYABFASA-N 1 1 239.290 1.469 20 10 BDCDMO COc1cc(C)c(C[NH+]2CC(OC)C2)c(O)c1 ZINC001236819625 979743615 /nfs/dbraw/zinc/74/36/15/979743615.db2.gz XVJQGZZQXHKCMU-UHFFFAOYSA-N 1 1 237.299 1.540 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001237486671 979908529 /nfs/dbraw/zinc/90/85/29/979908529.db2.gz ATKWLIPZAJOYLO-PHIMTYICSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC001237484514 979912213 /nfs/dbraw/zinc/91/22/13/979912213.db2.gz DTAPKLIHNAOTMO-GHMZBOCLSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001237490708 979915417 /nfs/dbraw/zinc/91/54/17/979915417.db2.gz DNEJVBXVXCOMIR-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001237490708 979915423 /nfs/dbraw/zinc/91/54/23/979915423.db2.gz DNEJVBXVXCOMIR-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCNC(=O)C1(C)C ZINC001237489889 979917827 /nfs/dbraw/zinc/91/78/27/979917827.db2.gz MSULESJFZISOMV-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC(=O)NC[C@H]1C ZINC001237488058 979919216 /nfs/dbraw/zinc/91/92/16/979919216.db2.gz QFNUMTOXKDRNNJ-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC(=O)NC[C@H]1C ZINC001237488058 979919226 /nfs/dbraw/zinc/91/92/26/979919226.db2.gz QFNUMTOXKDRNNJ-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H]1C(N)=O ZINC001237489079 979919351 /nfs/dbraw/zinc/91/93/51/979919351.db2.gz DRAIABVFGIGEGZ-LBPRGKRZSA-N 1 1 248.326 1.540 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC001238057728 980132413 /nfs/dbraw/zinc/13/24/13/980132413.db2.gz LTGBIGVLLGWDIB-GFCCVEGCSA-N 1 1 239.290 1.796 20 10 BDCDMO COc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)c(O)c1 ZINC001203620680 980254103 /nfs/dbraw/zinc/25/41/03/980254103.db2.gz HBPPJJQCFKBFJE-SNVBAGLBSA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)c(O)c1 ZINC001203620680 980254105 /nfs/dbraw/zinc/25/41/05/980254105.db2.gz HBPPJJQCFKBFJE-SNVBAGLBSA-N 1 1 249.310 1.812 20 10 BDCDMO C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001345100670 980548041 /nfs/dbraw/zinc/54/80/41/980548041.db2.gz USKRMWJVLVMJTR-VIFPVBQESA-N 1 1 242.750 1.991 20 10 BDCDMO CN1CC[N@@H+](Cc2ccc(N)cc2)C(C)(C)C1 ZINC001356082650 983570509 /nfs/dbraw/zinc/57/05/09/983570509.db2.gz ATHCIGSLXOOJMZ-UHFFFAOYSA-N 1 1 233.359 1.795 20 10 BDCDMO C[N@@H+]1CCN(Cc2ccc(N)cc2)C(C)(C)C1 ZINC001356082650 983570518 /nfs/dbraw/zinc/57/05/18/983570518.db2.gz ATHCIGSLXOOJMZ-UHFFFAOYSA-N 1 1 233.359 1.795 20 10 BDCDMO C[N@H+]1CCN(Cc2ccc(N)cc2)C(C)(C)C1 ZINC001356082650 983570525 /nfs/dbraw/zinc/57/05/25/983570525.db2.gz ATHCIGSLXOOJMZ-UHFFFAOYSA-N 1 1 233.359 1.795 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001138122394 984801057 /nfs/dbraw/zinc/80/10/57/984801057.db2.gz BNEIMWQWYSUEOB-KOLCDFICSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001138122394 984801058 /nfs/dbraw/zinc/80/10/58/984801058.db2.gz BNEIMWQWYSUEOB-KOLCDFICSA-N 1 1 243.253 1.436 20 10 BDCDMO C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000692161739 985640018 /nfs/dbraw/zinc/64/00/18/985640018.db2.gz QPMROOJYOUYADP-JSGCOSHPSA-N 1 1 247.386 1.983 20 10 BDCDMO Cc1cn(C)nc1C[NH2+]Cc1ccc(N)cc1 ZINC001579818024 986233829 /nfs/dbraw/zinc/23/38/29/986233829.db2.gz BYSVWVJLOSUNRI-UHFFFAOYSA-N 1 1 230.315 1.601 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCCOC1 ZINC001462305957 986347534 /nfs/dbraw/zinc/34/75/34/986347534.db2.gz NFSNBXJTZVRXAY-SECBINFHSA-N 1 1 243.253 1.939 20 10 BDCDMO O=c1cc(C[NH2+]Cc2c(O)cccc2F)cc[nH]1 ZINC001462595966 986446000 /nfs/dbraw/zinc/44/60/00/986446000.db2.gz WZDPPMQKIPACBE-UHFFFAOYSA-N 1 1 248.257 1.922 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690779166 987280216 /nfs/dbraw/zinc/28/02/16/987280216.db2.gz AEVXFSPOLMLKGW-CHWSQXEVSA-N 1 1 233.311 1.861 20 10 BDCDMO Nc1ccc(CCN[C@H]2CCCC[NH2+]C2)cc1 ZINC001246466614 987826079 /nfs/dbraw/zinc/82/60/79/987826079.db2.gz PQNZZYLEZKMLOS-AWEZNQCLSA-N 1 1 233.359 1.543 20 10 BDCDMO Nc1ccc(CC[NH2+][C@H]2CCCCNC2)cc1 ZINC001246466614 987826081 /nfs/dbraw/zinc/82/60/81/987826081.db2.gz PQNZZYLEZKMLOS-AWEZNQCLSA-N 1 1 233.359 1.543 20 10 BDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]2C)c(O)c1 ZINC001249178849 989261739 /nfs/dbraw/zinc/26/17/39/989261739.db2.gz WMSFNILGIOYYHP-JTQLQIEISA-N 1 1 249.310 1.702 20 10 BDCDMO COC[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137833099 990853718 /nfs/dbraw/zinc/85/37/18/990853718.db2.gz SMVSWKBLOWLMPO-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO COC[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137833099 990853716 /nfs/dbraw/zinc/85/37/16/990853716.db2.gz SMVSWKBLOWLMPO-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO OC[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831528 990854252 /nfs/dbraw/zinc/85/42/52/990854252.db2.gz CUHRHCODABSDSA-SNVBAGLBSA-N 1 1 239.290 1.736 20 10 BDCDMO OC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831528 990854255 /nfs/dbraw/zinc/85/42/55/990854255.db2.gz CUHRHCODABSDSA-SNVBAGLBSA-N 1 1 239.290 1.736 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138122456 990883858 /nfs/dbraw/zinc/88/38/58/990883858.db2.gz GOJHJSVBUGOINT-KOLCDFICSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(F)c1O ZINC001138122456 990883860 /nfs/dbraw/zinc/88/38/60/990883860.db2.gz GOJHJSVBUGOINT-KOLCDFICSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138128761 990885575 /nfs/dbraw/zinc/88/55/75/990885575.db2.gz YDRNMHQESFDQKM-GXSJLCMTSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cccc(F)c1O ZINC001138128761 990885576 /nfs/dbraw/zinc/88/55/76/990885576.db2.gz YDRNMHQESFDQKM-GXSJLCMTSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140055442 991508835 /nfs/dbraw/zinc/50/88/35/991508835.db2.gz YOSGWOWLGOQEBC-SKDRFNHKSA-N 1 1 239.290 1.877 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001140058321 991509082 /nfs/dbraw/zinc/50/90/82/991509082.db2.gz WWOVZAHNKOIAON-JQWIXIFHSA-N 1 1 243.253 1.436 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001140182028 991549734 /nfs/dbraw/zinc/54/97/34/991549734.db2.gz GDAKICJVUCZAPU-TXEJJXNPSA-N 1 1 233.311 1.982 20 10 BDCDMO OC[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001561018962 991687461 /nfs/dbraw/zinc/68/74/61/991687461.db2.gz OOYZGNUUXCUFKU-XWEPSHTISA-N 1 1 243.253 1.531 20 10 BDCDMO C[N@H+](CC(N)=O)Cc1ccc(N2CCCC2)cc1 ZINC001319932088 992032376 /nfs/dbraw/zinc/03/23/76/992032376.db2.gz HZXUBMJGDBJHQX-UHFFFAOYSA-N 1 1 247.342 1.204 20 10 BDCDMO C[N@@H+](CC(N)=O)Cc1ccc(N2CCCC2)cc1 ZINC001319932088 992032384 /nfs/dbraw/zinc/03/23/84/992032384.db2.gz HZXUBMJGDBJHQX-UHFFFAOYSA-N 1 1 247.342 1.204 20 10 BDCDMO CC[N@@H+]1CC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001302538525 995124385 /nfs/dbraw/zinc/12/43/85/995124385.db2.gz TZHZDJKJQUZPIU-JQWIXIFHSA-N 1 1 248.326 1.664 20 10 BDCDMO CC[N@H+]1CC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001302538525 995124389 /nfs/dbraw/zinc/12/43/89/995124389.db2.gz TZHZDJKJQUZPIU-JQWIXIFHSA-N 1 1 248.326 1.664 20 10 BDCDMO CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001302538524 995125292 /nfs/dbraw/zinc/12/52/92/995125292.db2.gz TZHZDJKJQUZPIU-CMPLNLGQSA-N 1 1 248.326 1.664 20 10 BDCDMO CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001302538524 995125299 /nfs/dbraw/zinc/12/52/99/995125299.db2.gz TZHZDJKJQUZPIU-CMPLNLGQSA-N 1 1 248.326 1.664 20 10 BDCDMO Cc1cc(C[NH2+]Cc2cccc(F)c2O)n(C)n1 ZINC000284289240 178027938 /nfs/dbraw/zinc/02/79/38/178027938.db2.gz HZWWNGUFGHLHPQ-UHFFFAOYSA-N 1 1 249.289 1.863 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1C ZINC000367787053 178196979 /nfs/dbraw/zinc/19/69/79/178196979.db2.gz ZEGKQUJIBDYPFZ-WDNDVIMCSA-N 1 1 247.338 1.679 20 10 BDCDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093481031 345672832 /nfs/dbraw/zinc/67/28/32/345672832.db2.gz NDNYJFMWWHWMSU-LBPRGKRZSA-N 1 1 236.359 1.955 20 10 BDCDMO Cc1cccc(C[N@@H+](C)CCCCO)c1O ZINC000276519128 179065804 /nfs/dbraw/zinc/06/58/04/179065804.db2.gz BYVWCHQLLYYOTG-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000191181110 179079234 /nfs/dbraw/zinc/07/92/34/179079234.db2.gz NWQFSAFSAFKIFK-MFKMUULPSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366554017 179079259 /nfs/dbraw/zinc/07/92/59/179079259.db2.gz AJSYQCMFAKNRBV-NEPJUHHUSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366554017 179079260 /nfs/dbraw/zinc/07/92/60/179079260.db2.gz AJSYQCMFAKNRBV-NEPJUHHUSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN3CCC2CC3)c1O ZINC000368044774 179076884 /nfs/dbraw/zinc/07/68/84/179076884.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(CN2CC[NH+]3CCC2CC3)c1O ZINC000368044774 179076886 /nfs/dbraw/zinc/07/68/86/179076886.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000272568230 179082518 /nfs/dbraw/zinc/08/25/18/179082518.db2.gz VHBPEGLBXDRAEN-NEPJUHHUSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(C[NH2+]CCCN(C)C)c1O ZINC000083352240 191007183 /nfs/dbraw/zinc/00/71/83/191007183.db2.gz GYRPETILDPFIRR-UHFFFAOYSA-N 1 1 222.332 1.742 20 10 BDCDMO CC1(C)CNC(=O)C[N@@H+]1Cc1ccccc1O ZINC000282707383 351941654 /nfs/dbraw/zinc/94/16/54/351941654.db2.gz KFYOTGHQMHCWKI-UHFFFAOYSA-N 1 1 234.299 1.103 20 10 BDCDMO CC1(C)CNC(=O)C[N@H+]1Cc1ccccc1O ZINC000282707383 351941657 /nfs/dbraw/zinc/94/16/57/351941657.db2.gz KFYOTGHQMHCWKI-UHFFFAOYSA-N 1 1 234.299 1.103 20 10 BDCDMO CC[N@@H+](Cc1cc(F)ccc1O)[C@H](C)CO ZINC000292774764 352328163 /nfs/dbraw/zinc/32/81/63/352328163.db2.gz KUHOYCZOSQKNIA-SECBINFHSA-N 1 1 227.279 1.734 20 10 BDCDMO CC[N@H+](Cc1cccc(F)c1O)[C@@H](C)CO ZINC000293535554 353752751 /nfs/dbraw/zinc/75/27/51/353752751.db2.gz CERBWAKFAMKNKR-VIFPVBQESA-N 1 1 227.279 1.734 20 10 BDCDMO CC[N@@H+](Cc1cccc(F)c1O)[C@@H](C)CO ZINC000293535554 353752755 /nfs/dbraw/zinc/75/27/55/353752755.db2.gz CERBWAKFAMKNKR-VIFPVBQESA-N 1 1 227.279 1.734 20 10 BDCDMO CCN1CCC[N@@H+](Cc2ccccc2O)CC1=O ZINC000191544032 357784730 /nfs/dbraw/zinc/78/47/30/357784730.db2.gz DILJTHXSIXMVSY-UHFFFAOYSA-N 1 1 248.326 1.446 20 10 BDCDMO OC[C@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000378502384 183147351 /nfs/dbraw/zinc/14/73/51/183147351.db2.gz YMCFTSZJVCZBGC-LBPRGKRZSA-N 1 1 235.327 1.987 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000158798228 183255741 /nfs/dbraw/zinc/25/57/41/183255741.db2.gz ZDVNVELXJDGRDB-JOYOIKCWSA-N 1 1 239.290 1.782 20 10 BDCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCNC1=O ZINC000178206700 169178863 /nfs/dbraw/zinc/17/88/63/169178863.db2.gz SGYIFWYZKVLXTB-LBPRGKRZSA-N 1 1 248.326 1.493 20 10 BDCDMO COC[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000071269118 384159339 /nfs/dbraw/zinc/15/93/39/384159339.db2.gz YHVRXFCUVHGRRE-PSASIEDQSA-N 1 1 243.278 1.189 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000132605422 384238348 /nfs/dbraw/zinc/23/83/48/384238348.db2.gz HTHVMGYXEQOQPS-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO COC[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132677714 384245029 /nfs/dbraw/zinc/24/50/29/384245029.db2.gz JYUNMHOYPDMNQM-SNVBAGLBSA-N 1 1 239.315 1.868 20 10 BDCDMO CN(C)CCC[NH2+]Cc1ccccc1O ZINC000019958357 384561837 /nfs/dbraw/zinc/56/18/37/384561837.db2.gz MULAZUQKYDJFFW-UHFFFAOYSA-N 1 1 208.305 1.434 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2nccn2C)cc1 ZINC000049900228 384576827 /nfs/dbraw/zinc/57/68/27/384576827.db2.gz UWSCHYPUYWVMIV-UHFFFAOYSA-N 1 1 244.342 1.776 20 10 BDCDMO CN(CC[NH+](C)C)Cc1cccc(F)c1O ZINC000165418027 385122130 /nfs/dbraw/zinc/12/21/30/385122130.db2.gz NHVAGEKAEJZYLU-UHFFFAOYSA-N 1 1 226.295 1.525 20 10 BDCDMO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062745816 385186297 /nfs/dbraw/zinc/18/62/97/385186297.db2.gz PNPUWQFNRGTZNU-YUMQZZPRSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@H]([NH2+]CCOCCO)c1ccc(F)cc1O ZINC000062745384 385188335 /nfs/dbraw/zinc/18/83/35/385188335.db2.gz YGUSXYIWBWSOJB-VIFPVBQESA-N 1 1 243.278 1.191 20 10 BDCDMO CN(CCC[NH+](C)C)Cc1ccccc1O ZINC000168104452 385348420 /nfs/dbraw/zinc/34/84/20/385348420.db2.gz CCGSYEROEDGLOG-UHFFFAOYSA-N 1 1 222.332 1.776 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CCCO)cc1F ZINC000281889213 385712321 /nfs/dbraw/zinc/71/23/21/385712321.db2.gz YAZRTKVXBIYVBX-UHFFFAOYSA-N 1 1 240.322 1.706 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282266901 385746169 /nfs/dbraw/zinc/74/61/69/385746169.db2.gz CIWLNOVUPNECSB-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282266901 385746176 /nfs/dbraw/zinc/74/61/76/385746176.db2.gz CIWLNOVUPNECSB-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000235893593 386200576 /nfs/dbraw/zinc/20/05/76/386200576.db2.gz XBARFFRNRPTQRV-CQSZACIVSA-N 1 1 248.326 1.398 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000226564571 386334558 /nfs/dbraw/zinc/33/45/58/386334558.db2.gz VPHLXGCGEAACSA-LLVKDONJSA-N 1 1 225.263 1.752 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cccc(OC)c1O ZINC000293755569 386668554 /nfs/dbraw/zinc/66/85/54/386668554.db2.gz XFVFHKAPEZKSJS-NSHDSACASA-N 1 1 237.299 1.622 20 10 BDCDMO CC[C@H]([NH2+][C@H](C)CO)c1ccc(F)cc1O ZINC000285960511 387297863 /nfs/dbraw/zinc/29/78/63/387297863.db2.gz GPDUZKMPVIDDQG-KCJUWKMLSA-N 1 1 227.279 1.953 20 10 BDCDMO CCOC1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000297553863 170337238 /nfs/dbraw/zinc/33/72/38/170337238.db2.gz ZVDQXILNVOLANI-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccccc1O ZINC000161802222 171177461 /nfs/dbraw/zinc/17/74/61/171177461.db2.gz ZTDGPBUPESXSJO-CYBMUJFWSA-N 1 1 223.316 1.985 20 10 BDCDMO CN1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000226587868 173034702 /nfs/dbraw/zinc/03/47/02/173034702.db2.gz QQJWDJALLJXLHF-LLVKDONJSA-N 1 1 238.306 1.715 20 10 BDCDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698314 173133412 /nfs/dbraw/zinc/13/34/12/173133412.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179574345 173306434 /nfs/dbraw/zinc/30/64/34/173306434.db2.gz RNKOTJNGXFBYQS-LBPRGKRZSA-N 1 1 248.326 1.350 20 10 BDCDMO COCCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000134046089 174217473 /nfs/dbraw/zinc/21/74/73/174217473.db2.gz OBTQPPAHYSNXKH-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)CCCO)c1 ZINC000281643623 175158046 /nfs/dbraw/zinc/15/80/46/175158046.db2.gz AUCAHDMWDWXQPE-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO C[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000132564920 176637315 /nfs/dbraw/zinc/63/73/15/176637315.db2.gz FVXYZVVNJUXEBA-RKDXNWHRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180861554 177014894 /nfs/dbraw/zinc/01/48/94/177014894.db2.gz DWKXXHQEYMKAFM-UWVGGRQHSA-N 1 1 239.290 1.734 20 10 BDCDMO CC[N@@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000133088725 488159366 /nfs/dbraw/zinc/15/93/66/488159366.db2.gz FOVBJXXOINPYIZ-UHFFFAOYSA-N 1 1 222.332 1.567 20 10 BDCDMO N[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1F ZINC000853248616 588729012 /nfs/dbraw/zinc/72/90/12/588729012.db2.gz VYYCVXMEKSQXPB-GHMZBOCLSA-N 1 1 224.279 1.263 20 10 BDCDMO [NH3+][C@@H]1CN(Cc2ccccc2O)CC[C@H]1F ZINC000853248616 588729013 /nfs/dbraw/zinc/72/90/13/588729013.db2.gz VYYCVXMEKSQXPB-GHMZBOCLSA-N 1 1 224.279 1.263 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1C ZINC000783731873 582960946 /nfs/dbraw/zinc/96/09/46/582960946.db2.gz AARJBZIAUXNVOL-DZGCQCFKSA-N 1 1 247.338 1.823 20 10 BDCDMO COc1cc(C)cc(C[N@@H+](C)C[C@H](C)O)c1O ZINC000894450731 583463424 /nfs/dbraw/zinc/46/34/24/583463424.db2.gz NYUTUUAREXJFQH-JTQLQIEISA-N 1 1 239.315 1.522 20 10 BDCDMO Oc1cccc(F)c1C[NH2+]C1CCOCC1 ZINC000896639726 583820377 /nfs/dbraw/zinc/82/03/77/583820377.db2.gz FKKNRRYSNVFSCJ-UHFFFAOYSA-N 1 1 225.263 1.800 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897681623 584039257 /nfs/dbraw/zinc/03/92/57/584039257.db2.gz XSTYFWGMVUACMM-CMPLNLGQSA-N 1 1 221.300 1.513 20 10 BDCDMO C[C@@H]([NH2+]CC1(N)CC1)c1ccccc1O ZINC000902413455 584599866 /nfs/dbraw/zinc/59/98/66/584599866.db2.gz LUNYUARXBGEEPQ-SECBINFHSA-N 1 1 206.289 1.534 20 10 BDCDMO NC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000817965612 584993053 /nfs/dbraw/zinc/99/30/53/584993053.db2.gz YHUSPAYQXXMOHX-LLVKDONJSA-N 1 1 232.327 1.851 20 10 BDCDMO Cc1cc(O)c(C[N@H+](C)C2CC(O)C2)cc1C ZINC000761220800 585412510 /nfs/dbraw/zinc/41/25/10/585412510.db2.gz YKAURYZNFMYPAJ-UHFFFAOYSA-N 1 1 235.327 1.964 20 10 BDCDMO CC[N@@H+](CCC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000764334215 585463734 /nfs/dbraw/zinc/46/37/34/585463734.db2.gz AMVRLENGLXIQOG-UHFFFAOYSA-N 1 1 249.358 1.450 20 10 BDCDMO CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441259 585538537 /nfs/dbraw/zinc/53/85/37/585538537.db2.gz YAHCFTOKPNERCU-GFCCVEGCSA-N 1 1 237.299 1.660 20 10 BDCDMO C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465788 585539138 /nfs/dbraw/zinc/53/91/38/585539138.db2.gz LHKXTFYXLQIWMY-ZANVPECISA-N 1 1 249.310 1.802 20 10 BDCDMO COc1cccc(C[N@@H+](C)Cc2cn[nH]c2)c1O ZINC000769425002 585556135 /nfs/dbraw/zinc/55/61/35/585556135.db2.gz NIQQKBUYSCRZPE-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1O ZINC000775712081 585683539 /nfs/dbraw/zinc/68/35/39/585683539.db2.gz DGBSERZVMHKNHX-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1O ZINC000775712081 585683540 /nfs/dbraw/zinc/68/35/40/585683540.db2.gz DGBSERZVMHKNHX-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788266744 585919782 /nfs/dbraw/zinc/91/97/82/585919782.db2.gz BIEMVSZAHQVWEI-ZYHUDNBSSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cc(C[N@@H+](C)CCO)ccc1N(C)C ZINC000815015980 586663929 /nfs/dbraw/zinc/66/39/29/586663929.db2.gz QUCROBSYVIIDCK-UHFFFAOYSA-N 1 1 222.332 1.485 20 10 BDCDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2O)C1 ZINC000816912363 586771090 /nfs/dbraw/zinc/77/10/90/586771090.db2.gz URTYMWAWOSWRCB-NSHDSACASA-N 1 1 248.326 1.350 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCCNC1)c1cc(F)ccc1O ZINC000817940478 586845537 /nfs/dbraw/zinc/84/55/37/586845537.db2.gz ICLBGZVTQSBFHF-KOLCDFICSA-N 1 1 238.306 1.934 20 10 BDCDMO CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977180 586861430 /nfs/dbraw/zinc/86/14/30/586861430.db2.gz DHIHXVWLBQTNSS-KZVDOYCCSA-N 1 1 232.327 1.651 20 10 BDCDMO Oc1cccc2c1[C@@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000817977856 586861938 /nfs/dbraw/zinc/86/19/38/586861938.db2.gz QRFQEIQFPYKSDP-BBGACYKPSA-N 1 1 230.311 1.187 20 10 BDCDMO COc1ccc(O)c(C[NH2+]C(CF)CF)c1 ZINC000824554667 587275634 /nfs/dbraw/zinc/27/56/34/587275634.db2.gz KEIOVALISWBCBZ-UHFFFAOYSA-N 1 1 231.242 1.798 20 10 BDCDMO CN(C)c1ccc(/C=C\C[N@H+](C)CC(N)=O)cc1 ZINC000835025745 587779024 /nfs/dbraw/zinc/77/90/24/587779024.db2.gz MOHUWNDIYZVTBQ-PLNGDYQASA-N 1 1 247.342 1.183 20 10 BDCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC(N)=O)cc1 ZINC000835025745 587779025 /nfs/dbraw/zinc/77/90/25/587779025.db2.gz MOHUWNDIYZVTBQ-PLNGDYQASA-N 1 1 247.342 1.183 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H]2CCCNC2)c1 ZINC000841043052 587939337 /nfs/dbraw/zinc/93/93/37/587939337.db2.gz NLLIFEQHXKWEMN-LBPRGKRZSA-N 1 1 220.316 1.542 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]CC2(N)CCC2)c1 ZINC000841051413 587939861 /nfs/dbraw/zinc/93/98/61/587939861.db2.gz PAQCZYMILWDBNO-UHFFFAOYSA-N 1 1 220.316 1.672 20 10 BDCDMO Cc1ccc(O)c(CNCC2([NH3+])CCC2)c1 ZINC000841051413 587939862 /nfs/dbraw/zinc/93/98/62/587939862.db2.gz PAQCZYMILWDBNO-UHFFFAOYSA-N 1 1 220.316 1.672 20 10 BDCDMO COc1ccc(CNCC(F)(F)C[NH3+])cc1C ZINC000841059432 587940713 /nfs/dbraw/zinc/94/07/13/587940713.db2.gz DAGILALQIDSULF-UHFFFAOYSA-N 1 1 244.285 1.687 20 10 BDCDMO C[C@H]1C[C@@H](NCc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062932 587941684 /nfs/dbraw/zinc/94/16/84/587941684.db2.gz ZMOZHXMWGBPUSZ-CABZTGNLSA-N 1 1 238.306 1.761 20 10 BDCDMO COc1cccc(CN[C@H](C)[C@H](C)[NH3+])c1O ZINC000841080711 587945044 /nfs/dbraw/zinc/94/50/44/587945044.db2.gz QAPHWWKOFKXCRY-DTWKUNHWSA-N 1 1 224.304 1.226 20 10 BDCDMO CCOc1ccc(O)c(CN[C@@H](C)[C@H](C)[NH3+])c1 ZINC000841080760 587945189 /nfs/dbraw/zinc/94/51/89/587945189.db2.gz QHSHZOVPKPUGJE-UWVGGRQHSA-N 1 1 238.331 1.616 20 10 BDCDMO CN(Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000843045106 588076187 /nfs/dbraw/zinc/07/61/87/588076187.db2.gz IIHVSBJFDRUEMZ-UHFFFAOYSA-N 1 1 238.306 1.715 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051421 588076784 /nfs/dbraw/zinc/07/67/84/588076784.db2.gz HFVBPQZNKFFJFL-BXKDBHETSA-N 1 1 238.306 1.700 20 10 BDCDMO CCc1cccc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000848909909 588419750 /nfs/dbraw/zinc/41/97/50/588419750.db2.gz CNEADEASHCGXNO-SNVBAGLBSA-N 1 1 223.316 1.767 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000852537523 588689067 /nfs/dbraw/zinc/68/90/67/588689067.db2.gz GTHBSBYJBJIIJS-DZGCQCFKSA-N 1 1 246.354 1.709 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](CCO)C1CC1 ZINC000876580018 590218684 /nfs/dbraw/zinc/21/86/84/590218684.db2.gz OXELWSOFGGLJPP-UHFFFAOYSA-N 1 1 221.300 1.657 20 10 BDCDMO COCC[N@@H+](CCO)Cc1ccc(C)cc1O ZINC000876682180 590230541 /nfs/dbraw/zinc/23/05/41/590230541.db2.gz DYYZSWICVAIBHJ-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@@H]1O ZINC000876815175 590245831 /nfs/dbraw/zinc/24/58/31/590245831.db2.gz NMDXWJLVJMEFJM-RISCZKNCSA-N 1 1 235.327 1.903 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1O ZINC000876814352 590245882 /nfs/dbraw/zinc/24/58/82/590245882.db2.gz DZQCRRINBWYFHW-RISCZKNCSA-N 1 1 235.327 1.903 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000877469785 590334861 /nfs/dbraw/zinc/33/48/61/590334861.db2.gz ZAMYBVQXGWVBDY-UHFFFAOYSA-N 1 1 222.288 1.008 20 10 BDCDMO C[N@@H+]1CC[C@H]2CN(Cc3ccccc3O)CC[C@H]21 ZINC000877742722 590407858 /nfs/dbraw/zinc/40/78/58/590407858.db2.gz GCUHFCBXDZEHPR-GXTWGEPZSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3ccccc3O)CC[C@H]21 ZINC000877742722 590407860 /nfs/dbraw/zinc/40/78/60/590407860.db2.gz GCUHFCBXDZEHPR-GXTWGEPZSA-N 1 1 246.354 1.918 20 10 BDCDMO Cc1cc(C[N@H+]2CC=C[C@@H]2CO)ccc1N(C)C ZINC000880492669 591070085 /nfs/dbraw/zinc/07/00/85/591070085.db2.gz UTVAHMDVBLACON-CQSZACIVSA-N 1 1 246.354 1.794 20 10 BDCDMO C[C@@H](O)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886528367 592245425 /nfs/dbraw/zinc/24/54/25/592245425.db2.gz KYTYRYSAZGNXQB-BDAKNGLRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H](O)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886528370 592245717 /nfs/dbraw/zinc/24/57/17/592245717.db2.gz KYTYRYSAZGNXQB-RKDXNWHRSA-N 1 1 227.279 1.953 20 10 BDCDMO COC[C@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886607305 592273665 /nfs/dbraw/zinc/27/36/65/592273665.db2.gz OZQMYZNOVADCFP-DTWKUNHWSA-N 1 1 243.278 1.189 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1c(O)cccc1F ZINC000886621906 592277261 /nfs/dbraw/zinc/27/72/61/592277261.db2.gz FVEWUDVJLUXPCT-XHNCKOQMSA-N 1 1 225.263 1.705 20 10 BDCDMO CN(CCC[NH3+])Cc1cc(F)ccc1O ZINC000220232091 592292010 /nfs/dbraw/zinc/29/20/10/592292010.db2.gz JVJLLNPFJSBTCO-UHFFFAOYSA-N 1 1 212.268 1.312 20 10 BDCDMO CC(=O)NCC[N@H+](C)Cc1cc(C)ccc1O ZINC000308310644 631276947 /nfs/dbraw/zinc/27/69/47/631276947.db2.gz RBICXYIJYKLSAD-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946453 631454438 /nfs/dbraw/zinc/45/44/38/631454438.db2.gz GTFRCGNUOGDCCG-DOMZBBRYSA-N 1 1 247.386 1.922 20 10 BDCDMO Cc1cccc(C[NH2+]Cc2cocn2)c1O ZINC000309730195 632661201 /nfs/dbraw/zinc/66/12/01/632661201.db2.gz ZNTQBONKNUNUMG-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894891071 636000176 /nfs/dbraw/zinc/00/01/76/636000176.db2.gz XXALMZFFBNHMMU-SECBINFHSA-N 1 1 245.225 1.133 20 10 BDCDMO CCOc1ccc(C[NH2+]CC2(N)CC2)c(O)c1 ZINC000904448591 637412629 /nfs/dbraw/zinc/41/26/29/637412629.db2.gz AEDZTYFSQFYDCG-UHFFFAOYSA-N 1 1 236.315 1.372 20 10 BDCDMO Nc1ccc(Cc2nc(C3([NH3+])CC3)no2)cc1 ZINC000905317013 637743572 /nfs/dbraw/zinc/74/35/72/637743572.db2.gz DRRJTUKXLMKJLF-UHFFFAOYSA-N 1 1 230.271 1.190 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)CC2)c1 ZINC000164283657 640470322 /nfs/dbraw/zinc/47/03/22/640470322.db2.gz PLKJBBSHETZSRS-UHFFFAOYSA-N 1 1 248.326 1.331 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(F)cc1O ZINC000087783772 641036432 /nfs/dbraw/zinc/03/64/32/641036432.db2.gz GSDUQCYMOQLTPU-PSASIEDQSA-N 1 1 225.263 1.971 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000190068727 641833245 /nfs/dbraw/zinc/83/32/45/641833245.db2.gz DMQRZQCTPULYJG-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO C[C@@H](O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190666090 641880123 /nfs/dbraw/zinc/88/01/23/641880123.db2.gz GETJKYSMNQIVLZ-ZCFIWIBFSA-N 1 1 233.670 1.655 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000179579608 642728739 /nfs/dbraw/zinc/72/87/39/642728739.db2.gz QZQCGTQRPXTBNS-GFCCVEGCSA-N 1 1 248.326 1.459 20 10 BDCDMO Cc1cc(CN(C)C2CC([NH3+])C2)ccc1N(C)C ZINC000923361242 644386417 /nfs/dbraw/zinc/38/64/17/644386417.db2.gz HCKWTSYAZSVFKQ-UHFFFAOYSA-N 1 1 247.386 1.983 20 10 BDCDMO Oc1cc2c(cc1C[NH2+]Cc1ccon1)OCO2 ZINC000093305899 644685979 /nfs/dbraw/zinc/68/59/79/644685979.db2.gz IPNVQLSQOIQOSE-UHFFFAOYSA-N 1 1 248.238 1.399 20 10 BDCDMO C[C@@H](O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708436120 712194919 /nfs/dbraw/zinc/19/49/19/712194919.db2.gz JJARMELXNYRQPQ-SSDOTTSWSA-N 1 1 231.242 1.531 20 10 BDCDMO CO[C@@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000182334432 711894915 /nfs/dbraw/zinc/89/49/15/711894915.db2.gz CNFQWZFFEYJTNV-JTQLQIEISA-N 1 1 209.289 1.859 20 10 BDCDMO CC[C@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481364 712193585 /nfs/dbraw/zinc/19/35/85/712193585.db2.gz CTEVOCVPPJSHAQ-LBPRGKRZSA-N 1 1 245.269 1.921 20 10 BDCDMO CCc1cccc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC000848877098 712610075 /nfs/dbraw/zinc/61/00/75/712610075.db2.gz PUKSHDAYTSSLCN-ZDUSSCGKSA-N 1 1 235.327 1.911 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000718148378 712748719 /nfs/dbraw/zinc/74/87/19/712748719.db2.gz TWYQHLXQKANNIU-TXEJJXNPSA-N 1 1 249.310 1.479 20 10 BDCDMO Cn1cnnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038007978 712799053 /nfs/dbraw/zinc/79/90/53/712799053.db2.gz RRDSTYJPCLHDDS-UHFFFAOYSA-N 1 1 244.298 1.040 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC001203549944 966678663 /nfs/dbraw/zinc/67/86/63/966678663.db2.gz DMYWUJBDVWFBFE-ZWNOBZJWSA-N 1 1 221.300 1.595 20 10 BDCDMO CC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@H](C)O ZINC001205789079 967820092 /nfs/dbraw/zinc/82/00/92/967820092.db2.gz KAOLZKNQPRBVJT-CPCISQLKSA-N 1 1 245.269 1.919 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2CO)c1O ZINC001140178136 957719663 /nfs/dbraw/zinc/71/96/63/957719663.db2.gz AFEOSYBUWKMHSQ-GFCCVEGCSA-N 1 1 235.327 1.966 20 10 BDCDMO Nc1ccc(CO[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001217843539 959641977 /nfs/dbraw/zinc/64/19/77/959641977.db2.gz DQXBBFXTYPKWGS-SNVBAGLBSA-N 1 1 228.242 1.393 20 10 BDCDMO CN1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC000309236589 959802409 /nfs/dbraw/zinc/80/24/09/959802409.db2.gz CAEZGBBVLKLTPD-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO CN(Cc1ccccc1O)[C@H]1CC[N@H+](C)C1 ZINC000309236589 959802410 /nfs/dbraw/zinc/80/24/10/959802410.db2.gz CAEZGBBVLKLTPD-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO CN(Cc1ccccc1O)[C@H]1CC[N@@H+](C)C1 ZINC000309236589 959802411 /nfs/dbraw/zinc/80/24/11/959802411.db2.gz CAEZGBBVLKLTPD-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)C2(C)COC2)c1 ZINC001140623600 960464121 /nfs/dbraw/zinc/46/41/21/960464121.db2.gz XTTDQBULNFARQR-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC001140742193 960544105 /nfs/dbraw/zinc/54/41/05/960544105.db2.gz JUGJOIKPKARFQN-LLVKDONJSA-N 1 1 237.299 1.363 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1O ZINC001140742034 960545531 /nfs/dbraw/zinc/54/55/31/960545531.db2.gz HUFIQMHEWBKZSR-SECBINFHSA-N 1 1 249.310 1.817 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCC(=O)[C@H](C)C2)c1O ZINC001140742034 960545537 /nfs/dbraw/zinc/54/55/37/960545537.db2.gz HUFIQMHEWBKZSR-SECBINFHSA-N 1 1 249.310 1.817 20 10 BDCDMO CN1CCOc2cc(C[N@H+](C)CCF)ccc21 ZINC001141146083 960887176 /nfs/dbraw/zinc/88/71/76/960887176.db2.gz JXADAZWCWBRHOY-UHFFFAOYSA-N 1 1 238.306 1.917 20 10 BDCDMO CN1CCOc2cc(C[N@@H+](C)CCF)ccc21 ZINC001141146083 960887212 /nfs/dbraw/zinc/88/72/12/960887212.db2.gz JXADAZWCWBRHOY-UHFFFAOYSA-N 1 1 238.306 1.917 20 10 BDCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141155938 960889593 /nfs/dbraw/zinc/88/95/93/960889593.db2.gz BBLYEDLKFFASQR-CYBMUJFWSA-N 1 1 237.299 1.302 20 10 BDCDMO C[C@H]1COCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156222 960890788 /nfs/dbraw/zinc/89/07/88/960890788.db2.gz HONBHOYYACDJEB-SNVBAGLBSA-N 1 1 237.299 1.566 20 10 BDCDMO C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141156225 960890865 /nfs/dbraw/zinc/89/08/65/960890865.db2.gz HQMPMQADBYMODG-JTQLQIEISA-N 1 1 249.310 1.899 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141156225 960890866 /nfs/dbraw/zinc/89/08/66/960890866.db2.gz HQMPMQADBYMODG-JTQLQIEISA-N 1 1 249.310 1.899 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156053 960892092 /nfs/dbraw/zinc/89/20/92/960892092.db2.gz DMTKIHRTKFRCIF-SKDRFNHKSA-N 1 1 237.299 1.301 20 10 BDCDMO C[N@H+](Cc1cc(O)ccc1O)C1(C)COC1 ZINC001141160951 960896455 /nfs/dbraw/zinc/89/64/55/960896455.db2.gz KQIUMVPFRNWRDP-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO C[N@@H+](Cc1cc(O)ccc1O)C1(C)COC1 ZINC001141160951 960896464 /nfs/dbraw/zinc/89/64/64/960896464.db2.gz KQIUMVPFRNWRDP-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO CN(Cc1cc(F)ccc1O)[C@@H]1CC[N@@H+](C)C1 ZINC000310532611 963541138 /nfs/dbraw/zinc/54/11/38/963541138.db2.gz QGGHHNSKOWPFIW-GFCCVEGCSA-N 1 1 238.306 1.667 20 10 BDCDMO CN1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC000310532611 963541143 /nfs/dbraw/zinc/54/11/43/963541143.db2.gz QGGHHNSKOWPFIW-GFCCVEGCSA-N 1 1 238.306 1.667 20 10 BDCDMO CN1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC000310532611 963541152 /nfs/dbraw/zinc/54/11/52/963541152.db2.gz QGGHHNSKOWPFIW-GFCCVEGCSA-N 1 1 238.306 1.667 20 10 BDCDMO Nc1cc(NCc2ccc(O)c(O)c2)nc[nH+]1 ZINC001158997865 963969732 /nfs/dbraw/zinc/96/97/32/963969732.db2.gz RLRGSMSOIJVDIX-UHFFFAOYSA-N 1 1 232.243 1.082 20 10 BDCDMO Nc1cc(NCc2ccc(O)c(O)c2)[nH+]cn1 ZINC001158997865 963969737 /nfs/dbraw/zinc/96/97/37/963969737.db2.gz RLRGSMSOIJVDIX-UHFFFAOYSA-N 1 1 232.243 1.082 20 10 BDCDMO CNc1ccccc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162689791 965122987 /nfs/dbraw/zinc/12/29/87/965122987.db2.gz OZRCATGERZYWKD-NSHDSACASA-N 1 1 235.331 1.471 20 10 BDCDMO CNc1ccccc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162689791 965122998 /nfs/dbraw/zinc/12/29/98/965122998.db2.gz OZRCATGERZYWKD-NSHDSACASA-N 1 1 235.331 1.471 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1O ZINC001203550205 966684144 /nfs/dbraw/zinc/68/41/44/966684144.db2.gz MDHFLWQOMHHSGH-PWSUYJOCSA-N 1 1 221.300 1.595 20 10 BDCDMO Cn1cnc2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC001203561669 966686823 /nfs/dbraw/zinc/68/68/23/966686823.db2.gz XSPLCCQSUHLBNJ-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@]12CCOC2 ZINC001203560878 966687323 /nfs/dbraw/zinc/68/73/23/966687323.db2.gz ITQLKZSVQWOJAY-CYBMUJFWSA-N 1 1 219.284 1.757 20 10 BDCDMO COc1ccc(C[NH+]2CC(C)(OC)C2)c(O)c1 ZINC001203620974 966710878 /nfs/dbraw/zinc/71/08/78/966710878.db2.gz LNZHDNYCRJUJRA-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO Oc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1O ZINC001203878783 966807040 /nfs/dbraw/zinc/80/70/40/966807040.db2.gz BRMRWMBIISNWDN-ZDUSSCGKSA-N 1 1 235.283 1.463 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1O ZINC001203878783 966807046 /nfs/dbraw/zinc/80/70/46/966807046.db2.gz BRMRWMBIISNWDN-ZDUSSCGKSA-N 1 1 235.283 1.463 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)cc1 ZINC001203937107 966825997 /nfs/dbraw/zinc/82/59/97/966825997.db2.gz KUMWUYMUOFAHLR-GJZGRUSLSA-N 1 1 245.370 1.641 20 10 BDCDMO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)cc1 ZINC001203937107 966826002 /nfs/dbraw/zinc/82/60/02/966826002.db2.gz KUMWUYMUOFAHLR-GJZGRUSLSA-N 1 1 245.370 1.641 20 10 BDCDMO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)cc1 ZINC001203937107 966826009 /nfs/dbraw/zinc/82/60/09/966826009.db2.gz KUMWUYMUOFAHLR-GJZGRUSLSA-N 1 1 245.370 1.641 20 10 BDCDMO OC[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204273084 966951120 /nfs/dbraw/zinc/95/11/20/966951120.db2.gz XFWASULINMCHLH-LLVKDONJSA-N 1 1 237.299 1.445 20 10 BDCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204276307 966951313 /nfs/dbraw/zinc/95/13/13/966951313.db2.gz JZWCMYGSIYMGMS-CYBMUJFWSA-N 1 1 237.299 1.302 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001204272295 966954542 /nfs/dbraw/zinc/95/45/42/966954542.db2.gz MNHFFSQVEDLIKJ-NSHDSACASA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001204272008 966954580 /nfs/dbraw/zinc/95/45/80/966954580.db2.gz GQAZKYLDDPTKAV-CMPLNLGQSA-N 1 1 241.262 1.003 20 10 BDCDMO C[N@@H+](Cc1ccno1)Cc1ccc(O)cc1O ZINC001204277244 966957567 /nfs/dbraw/zinc/95/75/67/966957567.db2.gz AEJRBFLCDOUBOM-UHFFFAOYSA-N 1 1 234.255 1.718 20 10 BDCDMO C[N@@H+](Cc1cncnc1)Cc1ccc(O)cc1O ZINC001204282510 966959409 /nfs/dbraw/zinc/95/94/09/966959409.db2.gz RLQBWVGJOGXHTF-UHFFFAOYSA-N 1 1 245.282 1.520 20 10 BDCDMO CC[N@@H+](Cc1ccc(O)cc1O)C1COC1 ZINC001204279281 966960537 /nfs/dbraw/zinc/96/05/37/966960537.db2.gz VUJGJAUCVIPZKU-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO CO[C@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204276322 966961213 /nfs/dbraw/zinc/96/12/13/966961213.db2.gz KNANCSWAMOFEOT-JQWIXIFHSA-N 1 1 241.262 1.267 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204276322 966961217 /nfs/dbraw/zinc/96/12/17/966961217.db2.gz KNANCSWAMOFEOT-JQWIXIFHSA-N 1 1 241.262 1.267 20 10 BDCDMO Nc1[nH+]cccc1Nc1cccc(O)c1O ZINC001212401643 967051072 /nfs/dbraw/zinc/05/10/72/967051072.db2.gz CWURKWCKKKAVIP-UHFFFAOYSA-N 1 1 217.228 1.819 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206058604 968026030 /nfs/dbraw/zinc/02/60/30/968026030.db2.gz IXTSTZMKFXBBMG-DGCLKSJQSA-N 1 1 234.343 1.788 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206058604 968026049 /nfs/dbraw/zinc/02/60/49/968026049.db2.gz IXTSTZMKFXBBMG-DGCLKSJQSA-N 1 1 234.343 1.788 20 10 BDCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)O ZINC001251962913 968404069 /nfs/dbraw/zinc/40/40/69/968404069.db2.gz LQHSLEGDNKRUQJ-LBPRGKRZSA-N 1 1 236.359 1.955 20 10 BDCDMO Oc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207440859 968775774 /nfs/dbraw/zinc/77/57/74/968775774.db2.gz HYNRMTLHNFXSIQ-UHFFFAOYSA-N 1 1 246.354 1.750 20 10 BDCDMO Cn1ccc2c1cc[nH+]c2-c1cncn1C ZINC001243063222 970238797 /nfs/dbraw/zinc/23/87/97/970238797.db2.gz NFZSHGXQQMSQRR-UHFFFAOYSA-N 1 1 212.256 1.974 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144504559 972851910 /nfs/dbraw/zinc/85/19/10/972851910.db2.gz VBLKVUJBGMNLHG-QMMMGPOBSA-N 1 1 239.271 1.024 20 10 BDCDMO COc1cccc(C[NH2+]Cc2ncc(C)o2)c1O ZINC000234996361 973796653 /nfs/dbraw/zinc/79/66/53/973796653.db2.gz XZARYKJLDJFCAF-UHFFFAOYSA-N 1 1 248.282 1.987 20 10 BDCDMO C[NH2+][C@@H](C)CCNCc1ccc(N)cc1 ZINC001335290455 976933514 /nfs/dbraw/zinc/93/35/14/976933514.db2.gz XQHCFUZRVFWBHK-JTQLQIEISA-N 1 1 207.321 1.356 20 10 BDCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336284959 977614292 /nfs/dbraw/zinc/61/42/92/977614292.db2.gz FKOYOJXQEQPIEQ-LBPRGKRZSA-N 1 1 248.326 1.654 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCC3(CN(C)C3)C2)c1O ZINC001231594007 977642503 /nfs/dbraw/zinc/64/25/03/977642503.db2.gz ATFXUBYWYIQCDN-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1O ZINC001231590893 977643347 /nfs/dbraw/zinc/64/33/47/977643347.db2.gz KMUIIZBYTKTUJM-MFKMUULPSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC001231842652 977759303 /nfs/dbraw/zinc/75/93/03/977759303.db2.gz WPGAEGBKCAUOFA-GFCCVEGCSA-N 1 1 235.327 1.966 20 10 BDCDMO C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@H]1O ZINC001233332230 978568773 /nfs/dbraw/zinc/56/87/73/978568773.db2.gz DDGIRQWYGGIKFQ-WRWORJQWSA-N 1 1 243.253 1.483 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@H]1O ZINC001233332230 978568782 /nfs/dbraw/zinc/56/87/82/978568782.db2.gz DDGIRQWYGGIKFQ-WRWORJQWSA-N 1 1 243.253 1.483 20 10 BDCDMO C[N@H+](CCF)Cc1cc(O)c(O)cc1O ZINC001233487895 978612797 /nfs/dbraw/zinc/61/27/97/978612797.db2.gz VYCZBXUNDIRAIZ-UHFFFAOYSA-N 1 1 215.224 1.205 20 10 BDCDMO C[N@@H+](CCF)Cc1cc(O)c(O)cc1O ZINC001233487895 978612803 /nfs/dbraw/zinc/61/28/03/978612803.db2.gz VYCZBXUNDIRAIZ-UHFFFAOYSA-N 1 1 215.224 1.205 20 10 BDCDMO C[N@@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001235691528 979125062 /nfs/dbraw/zinc/12/50/62/979125062.db2.gz MLXGTTQYFWBCDL-UHFFFAOYSA-N 1 1 234.343 1.711 20 10 BDCDMO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560523 979755947 /nfs/dbraw/zinc/75/59/47/979755947.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO Nc1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237410092 979886892 /nfs/dbraw/zinc/88/68/92/979886892.db2.gz BJLVEFHMFJTGGD-DZGCQCFKSA-N 1 1 245.370 1.843 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCNC(=O)[C@H]1C ZINC001237489058 979918667 /nfs/dbraw/zinc/91/86/67/979918667.db2.gz DNAXCNXMJZIVGT-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCNC(=O)[C@H]1C ZINC001237489058 979918673 /nfs/dbraw/zinc/91/86/73/979918673.db2.gz DNAXCNXMJZIVGT-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC001238057729 980135302 /nfs/dbraw/zinc/13/53/02/980135302.db2.gz LTGBIGVLLGWDIB-LBPRGKRZSA-N 1 1 239.290 1.796 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1 ZINC001203680165 980633230 /nfs/dbraw/zinc/63/32/30/980633230.db2.gz HULMILURLBDHNY-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1ccc(O)c(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c1 ZINC001203680165 980633239 /nfs/dbraw/zinc/63/32/39/980633239.db2.gz HULMILURLBDHNY-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1ccc(O)c(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c1 ZINC001203680165 980633245 /nfs/dbraw/zinc/63/32/45/980633245.db2.gz HULMILURLBDHNY-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875821 982560021 /nfs/dbraw/zinc/56/00/21/982560021.db2.gz WKJBFTLGZWXLLB-KOLCDFICSA-N 1 1 237.299 1.301 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203882548 982586591 /nfs/dbraw/zinc/58/65/91/982586591.db2.gz KWCSZQZJMSGRMZ-MWLCHTKSSA-N 1 1 237.299 1.443 20 10 BDCDMO C[N@H+]1CCC=C(c2ccn(CC3CC3)c(=O)c2)C1 ZINC001241572375 982826891 /nfs/dbraw/zinc/82/68/91/982826891.db2.gz YZDFMWSDOPCLQX-UHFFFAOYSA-N 1 1 244.338 1.977 20 10 BDCDMO CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001356082692 983569799 /nfs/dbraw/zinc/56/97/99/983569799.db2.gz CHAACYZJRZJSAF-GFCCVEGCSA-N 1 1 221.348 1.732 20 10 BDCDMO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(N)cc1 ZINC001356082692 983569815 /nfs/dbraw/zinc/56/98/15/983569815.db2.gz CHAACYZJRZJSAF-GFCCVEGCSA-N 1 1 221.348 1.732 20 10 BDCDMO C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC001356082910 983570276 /nfs/dbraw/zinc/57/02/76/983570276.db2.gz HMAWKOXSCSYRIL-RISCZKNCSA-N 1 1 233.359 1.971 20 10 BDCDMO C[N@H+]1C[C@@H]2CCN(Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275419341 984557752 /nfs/dbraw/zinc/55/77/52/984557752.db2.gz VMVJOTWCMDNVFU-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO CN1C[C@@H]2CC[N@H+](Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275419341 984557763 /nfs/dbraw/zinc/55/77/63/984557763.db2.gz VMVJOTWCMDNVFU-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO CN1C[C@@H]2CC[N@@H+](Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275419341 984557776 /nfs/dbraw/zinc/55/77/76/984557776.db2.gz VMVJOTWCMDNVFU-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO C[C@H]1[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1C ZINC000719395500 984652443 /nfs/dbraw/zinc/65/24/43/984652443.db2.gz KHRXGWGWYQJBFU-GXFFZTMASA-N 1 1 247.342 1.020 20 10 BDCDMO Cc1c[nH+]cn1CC(=O)NCc1ccccc1O ZINC001465990921 986760259 /nfs/dbraw/zinc/76/02/59/986760259.db2.gz XICCLUKHVLIAJC-UHFFFAOYSA-N 1 1 245.282 1.214 20 10 BDCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)CO1 ZINC001474611569 987778528 /nfs/dbraw/zinc/77/85/28/987778528.db2.gz XSBGBTDMKZMBSD-IONNQARKSA-N 1 1 243.253 1.937 20 10 BDCDMO C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)[C@H]1CN ZINC001120263965 989621489 /nfs/dbraw/zinc/62/14/89/989621489.db2.gz YGYDIFMYWQDIHU-FZMZJTMJSA-N 1 1 233.359 1.828 20 10 BDCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@H]1CN ZINC001120263965 989621494 /nfs/dbraw/zinc/62/14/94/989621494.db2.gz YGYDIFMYWQDIHU-FZMZJTMJSA-N 1 1 233.359 1.828 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831667 990853936 /nfs/dbraw/zinc/85/39/36/990853936.db2.gz JHCZFAGNELHULJ-BDAKNGLRSA-N 1 1 225.263 1.486 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(O)cccc1F ZINC001137831667 990853937 /nfs/dbraw/zinc/85/39/37/990853937.db2.gz JHCZFAGNELHULJ-BDAKNGLRSA-N 1 1 225.263 1.486 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](O)C1 ZINC001137831490 990854474 /nfs/dbraw/zinc/85/44/74/990854474.db2.gz BRAYZDMYSAEQKK-SECBINFHSA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC001137831490 990854477 /nfs/dbraw/zinc/85/44/77/990854477.db2.gz BRAYZDMYSAEQKK-SECBINFHSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@]1(O)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832919 990856790 /nfs/dbraw/zinc/85/67/90/990856790.db2.gz MESQCYADPMRQBH-LBPRGKRZSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832919 990856793 /nfs/dbraw/zinc/85/67/93/990856793.db2.gz MESQCYADPMRQBH-LBPRGKRZSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137839091 990859274 /nfs/dbraw/zinc/85/92/74/990859274.db2.gz QYVMGINLKCGCEX-UWVGGRQHSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)cccc1F ZINC001137839091 990859276 /nfs/dbraw/zinc/85/92/76/990859276.db2.gz QYVMGINLKCGCEX-UWVGGRQHSA-N 1 1 239.290 1.877 20 10 BDCDMO Cc1ccc(C[NH2+][C@H](C)c2nnnn2C)c(O)c1 ZINC001308968270 991241534 /nfs/dbraw/zinc/24/15/34/991241534.db2.gz NVMPAPXJTRGCSC-SECBINFHSA-N 1 1 247.302 1.075 20 10 BDCDMO CC[C@H]([NH2+]Cc1cccc(F)c1O)[C@H](C)O ZINC000386746435 993696315 /nfs/dbraw/zinc/69/63/15/993696315.db2.gz FKWGRVVTJPODBI-KWQFWETISA-N 1 1 227.279 1.780 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@@H]1CO ZINC000700439451 993834945 /nfs/dbraw/zinc/83/49/45/993834945.db2.gz SRCMMJHNKODLHX-WCQYABFASA-N 1 1 234.343 1.719 20 10 BDCDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336116552 994954988 /nfs/dbraw/zinc/95/49/88/994954988.db2.gz GDEZHSMCMZSBJP-GFCCVEGCSA-N 1 1 247.342 1.356 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@](C)(O)C2)cc1C ZINC000180189401 178195533 /nfs/dbraw/zinc/19/55/33/178195533.db2.gz CODGJUKULRVKEF-AWEZNQCLSA-N 1 1 235.327 1.966 20 10 BDCDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccccc1O ZINC000132895433 345351193 /nfs/dbraw/zinc/35/11/93/345351193.db2.gz SHTZGYOHFGFAED-UHFFFAOYSA-N 1 1 236.315 1.336 20 10 BDCDMO COc1cccc(C[N@@H+](C)CC[C@H](C)O)c1O ZINC000093481657 345672673 /nfs/dbraw/zinc/67/26/73/345672673.db2.gz XHGITXSJZWSIMW-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@H]2CO)c1O ZINC000132494608 179076959 /nfs/dbraw/zinc/07/69/59/179076959.db2.gz COAOLCAPPABMIQ-LBPRGKRZSA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000372646743 179084093 /nfs/dbraw/zinc/08/40/93/179084093.db2.gz CLVZQKKCCNLMHZ-RYUDHWBXSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000376893030 179084458 /nfs/dbraw/zinc/08/44/58/179084458.db2.gz BFSQMIQKRCAKRW-LBPRGKRZSA-N 1 1 233.311 1.657 20 10 BDCDMO CC[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000124502162 353167286 /nfs/dbraw/zinc/16/72/86/353167286.db2.gz WYABNVCESRCTNO-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272263823 188199355 /nfs/dbraw/zinc/19/93/55/188199355.db2.gz KKBCWEFNHSPQHC-SECBINFHSA-N 1 1 211.236 1.098 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272263823 188199356 /nfs/dbraw/zinc/19/93/56/188199356.db2.gz KKBCWEFNHSPQHC-SECBINFHSA-N 1 1 211.236 1.098 20 10 BDCDMO COc1cccc(C[N@H+]2CCCOCC2)c1O ZINC000134189627 358781773 /nfs/dbraw/zinc/78/17/73/358781773.db2.gz YMXSJRWDFKZCJA-UHFFFAOYSA-N 1 1 237.299 1.623 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000128550266 183151404 /nfs/dbraw/zinc/15/14/04/183151404.db2.gz CCQPFHFRXMZFKI-LLVKDONJSA-N 1 1 207.273 1.349 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000187543050 183301175 /nfs/dbraw/zinc/30/11/75/183301175.db2.gz YUSXZZGWNDBWLN-CQSZACIVSA-N 1 1 249.310 1.384 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000184721213 183302089 /nfs/dbraw/zinc/30/20/89/183302089.db2.gz WYXKBMVIMHSPES-UHFFFAOYSA-N 1 1 249.310 1.731 20 10 BDCDMO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278947450 169267521 /nfs/dbraw/zinc/26/75/21/169267521.db2.gz YUWGXXUFNBBLBA-UHFFFAOYSA-N 1 1 240.259 1.809 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000377888770 384224387 /nfs/dbraw/zinc/22/43/87/384224387.db2.gz LYTNKKBEFQGABI-NSHDSACASA-N 1 1 248.326 1.411 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1 ZINC000120180202 384334145 /nfs/dbraw/zinc/33/41/45/384334145.db2.gz XHDQNYYLOZCKFB-AWEZNQCLSA-N 1 1 234.343 1.973 20 10 BDCDMO COC[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000160242855 384396560 /nfs/dbraw/zinc/39/65/60/384396560.db2.gz GTCYPNBBUCHFCE-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO COC[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000160242855 384396564 /nfs/dbraw/zinc/39/65/64/384396564.db2.gz GTCYPNBBUCHFCE-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)C(F)(F)F ZINC000121592419 384427359 /nfs/dbraw/zinc/42/73/59/384427359.db2.gz QNVYIBMKUCFNBR-SNVBAGLBSA-N 1 1 249.232 1.747 20 10 BDCDMO CC[C@](C)(O)C[N@@H+](C)Cc1ccccc1O ZINC000161802114 384527302 /nfs/dbraw/zinc/52/73/02/384527302.db2.gz ZTDGPBUPESXSJO-ZDUSSCGKSA-N 1 1 223.316 1.985 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000049714722 384562099 /nfs/dbraw/zinc/56/20/99/384562099.db2.gz HGLQIVCTRCNMGX-UHFFFAOYSA-N 1 1 230.315 1.766 20 10 BDCDMO C[C@H]([NH2+]CCCO)c1ccc(F)cc1O ZINC000062745300 385184485 /nfs/dbraw/zinc/18/44/85/385184485.db2.gz GEUUHYINOYKGMH-QMMMGPOBSA-N 1 1 213.252 1.564 20 10 BDCDMO C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062745817 385186956 /nfs/dbraw/zinc/18/69/56/385186956.db2.gz PNPUWQFNRGTZNU-SFYZADRCSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062745809 385188128 /nfs/dbraw/zinc/18/81/28/385188128.db2.gz XANCXORUHDNVIG-SFYZADRCSA-N 1 1 213.252 1.563 20 10 BDCDMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccccc1O ZINC000189985772 385201979 /nfs/dbraw/zinc/20/19/79/385201979.db2.gz CIMLYHNSADRXGM-CQSZACIVSA-N 1 1 249.310 1.920 20 10 BDCDMO C[N@@H+](CCN1CCCC1=O)Cc1ccccc1O ZINC000109770384 385191181 /nfs/dbraw/zinc/19/11/81/385191181.db2.gz PQBPKWLCFBXUAQ-UHFFFAOYSA-N 1 1 248.326 1.446 20 10 BDCDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179569818 385474338 /nfs/dbraw/zinc/47/43/38/385474338.db2.gz LVEWURSJBJWBFU-CYBMUJFWSA-N 1 1 248.326 1.349 20 10 BDCDMO Cn1ccc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000271139895 385792158 /nfs/dbraw/zinc/79/21/58/385792158.db2.gz UNGBKBJHPZEMPE-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO Cn1ccc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000271139895 385792163 /nfs/dbraw/zinc/79/21/63/385792163.db2.gz UNGBKBJHPZEMPE-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293628727 386668589 /nfs/dbraw/zinc/66/85/89/386668589.db2.gz NBIFQZHNLMYIFE-ZCFIWIBFSA-N 1 1 233.670 1.655 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000293526394 386830019 /nfs/dbraw/zinc/83/00/19/386830019.db2.gz IZAYXDLWEPKWIK-AWEZNQCLSA-N 1 1 234.343 1.973 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000293616194 386849753 /nfs/dbraw/zinc/84/97/53/386849753.db2.gz KKPRLOWAGCQPFS-JTQLQIEISA-N 1 1 225.263 1.752 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cccc(F)c1O ZINC000293616194 386849760 /nfs/dbraw/zinc/84/97/60/386849760.db2.gz KKPRLOWAGCQPFS-JTQLQIEISA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@@H]1COCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000369451438 176333420 /nfs/dbraw/zinc/33/34/20/176333420.db2.gz JNLNVPMNQUVDPZ-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO C[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000132606273 177292897 /nfs/dbraw/zinc/29/28/97/177292897.db2.gz FZSHPGJTTXUXRF-JTQLQIEISA-N 1 1 207.273 1.613 20 10 BDCDMO C[NH2+]C[C@@H](C)NCc1c(O)ccc(Cl)c1F ZINC000853249155 588729054 /nfs/dbraw/zinc/72/90/54/588729054.db2.gz NWZCTDXPJFERKT-SSDOTTSWSA-N 1 1 246.713 1.882 20 10 BDCDMO CNC[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000853249349 588729235 /nfs/dbraw/zinc/72/92/35/588729235.db2.gz PXKPUKBCCPLSFB-NSHDSACASA-N 1 1 222.332 1.707 20 10 BDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)OCO2 ZINC000853581667 588749876 /nfs/dbraw/zinc/74/98/76/588749876.db2.gz WXJYUGCPYSAQGL-NXEZZACHSA-N 1 1 247.294 1.963 20 10 BDCDMO CN(CC1C[NH+](C)C1)C(=O)C1=CC(=O)CS1 ZINC000855642476 588842865 /nfs/dbraw/zinc/84/28/65/588842865.db2.gz ZFZOVXWJIQLXSQ-UHFFFAOYSA-N 1 1 240.328 1.087 20 10 BDCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCCOC1 ZINC000896637697 583819781 /nfs/dbraw/zinc/81/97/81/583819781.db2.gz QHUDWAYKMOQVHP-SECBINFHSA-N 1 1 225.263 1.800 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000897684644 584040080 /nfs/dbraw/zinc/04/00/80/584040080.db2.gz UKYCONJMBNVKLS-UFBFGSQYSA-N 1 1 241.718 1.858 20 10 BDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@@H]1C ZINC000787420567 584119536 /nfs/dbraw/zinc/11/95/36/584119536.db2.gz IYECOHSCTKIPNA-ZYHUDNBSSA-N 1 1 249.310 1.776 20 10 BDCDMO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062473 584126314 /nfs/dbraw/zinc/12/63/14/584126314.db2.gz XDYVJAZUXKFROK-BXUZGUMPSA-N 1 1 246.354 1.852 20 10 BDCDMO CC[C@H]([NH2+]CCCON)c1ccc(F)cc1O ZINC000902415224 584589824 /nfs/dbraw/zinc/58/98/24/584589824.db2.gz LMTFZTZISYJCGM-NSHDSACASA-N 1 1 242.294 1.852 20 10 BDCDMO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccc2c(c1)CCO2 ZINC000903964593 584834066 /nfs/dbraw/zinc/83/40/66/584834066.db2.gz MFEABWUITSJWEL-RISCZKNCSA-N 1 1 246.354 1.567 20 10 BDCDMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817978605 584993861 /nfs/dbraw/zinc/99/38/61/584993861.db2.gz CEHFCWGPQGTLNP-QXEWZRGKSA-N 1 1 220.316 1.705 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](F)C1 ZINC000824570266 585028863 /nfs/dbraw/zinc/02/88/63/585028863.db2.gz ABOCJQPLMIVCDV-SECBINFHSA-N 1 1 225.263 1.945 20 10 BDCDMO CC(C)C1(O)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839132936 585094059 /nfs/dbraw/zinc/09/40/59/585094059.db2.gz HWOFCZVLLHDHIR-UHFFFAOYSA-N 1 1 239.290 1.734 20 10 BDCDMO CCOc1ccc(C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000768410768 585538093 /nfs/dbraw/zinc/53/80/93/585538093.db2.gz ZCIJCJORUUHJEV-NSHDSACASA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768443971 585538796 /nfs/dbraw/zinc/53/87/96/585538796.db2.gz KEISHHWBFQAHRR-TVQRCGJNSA-N 1 1 249.310 1.660 20 10 BDCDMO C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465786 585538973 /nfs/dbraw/zinc/53/89/73/585538973.db2.gz LHKXTFYXLQIWMY-RNCFNFMXSA-N 1 1 249.310 1.802 20 10 BDCDMO CC[N@@H+](CCCO)Cc1cc(C)ccc1O ZINC000769484767 585558157 /nfs/dbraw/zinc/55/81/57/585558157.db2.gz ZDLZIEMZXDWLOG-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO CC[N@H+](Cc1cn(C)nn1)Cc1ccccc1O ZINC000781931500 585805431 /nfs/dbraw/zinc/80/54/31/585805431.db2.gz WDENIHFAIBACCP-UHFFFAOYSA-N 1 1 246.314 1.543 20 10 BDCDMO CC[N@@H+](Cc1cn(C)nn1)Cc1ccccc1O ZINC000781931500 585805432 /nfs/dbraw/zinc/80/54/32/585805432.db2.gz WDENIHFAIBACCP-UHFFFAOYSA-N 1 1 246.314 1.543 20 10 BDCDMO CC[C@@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793820157 586027122 /nfs/dbraw/zinc/02/71/22/586027122.db2.gz KLLDDXKGDQJCTA-MFKMUULPSA-N 1 1 249.310 1.802 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000802657762 586308462 /nfs/dbraw/zinc/30/84/62/586308462.db2.gz QVGSISRXLGMWSV-BETUJISGSA-N 1 1 249.310 1.300 20 10 BDCDMO Cc1cc(C[N@H+]2CC[C@H](O)C2)ccc1N(C)C ZINC000815037894 586664423 /nfs/dbraw/zinc/66/44/23/586664423.db2.gz YSYPBJQPPHRDFR-ZDUSSCGKSA-N 1 1 234.343 1.628 20 10 BDCDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2O)C1 ZINC000816912362 586771229 /nfs/dbraw/zinc/77/12/29/586771229.db2.gz URTYMWAWOSWRCB-LLVKDONJSA-N 1 1 248.326 1.350 20 10 BDCDMO C[C@H](NCc1ccc2c(c1)CCO2)C1C[NH2+]C1 ZINC000817902009 586836427 /nfs/dbraw/zinc/83/64/27/586836427.db2.gz GPSPWEHLIQSBMW-JTQLQIEISA-N 1 1 232.327 1.319 20 10 BDCDMO CC[C@@H](NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817957017 586850361 /nfs/dbraw/zinc/85/03/61/586850361.db2.gz HKBQBXIIDREOTA-CABCVRRESA-N 1 1 247.386 1.932 20 10 BDCDMO COc1ccc(O)c([C@@H](C)NC[C@H](C)[NH3+])c1 ZINC000817973263 586860255 /nfs/dbraw/zinc/86/02/55/586860255.db2.gz RXESBEBXFNSXGY-DTWKUNHWSA-N 1 1 224.304 1.399 20 10 BDCDMO CC[C@@H](N)C[NH2+][C@H](C)c1ccccc1O ZINC000817979264 586861209 /nfs/dbraw/zinc/86/12/09/586861209.db2.gz JFSCAKVVELTULP-NXEZZACHSA-N 1 1 208.305 1.780 20 10 BDCDMO OCCC[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000825338942 587316145 /nfs/dbraw/zinc/31/61/45/587316145.db2.gz WXWQCBCVYFMAOP-LBPRGKRZSA-N 1 1 235.327 1.987 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827290500 587375458 /nfs/dbraw/zinc/37/54/58/587375458.db2.gz HHXILKYBZWJHQT-GXFFZTMASA-N 1 1 237.274 1.488 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)C2(CO)CC2)c1 ZINC000827904154 587409649 /nfs/dbraw/zinc/40/96/49/587409649.db2.gz VIZJYXISCNMWRQ-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](O)C2)cc1 ZINC000835026148 587779148 /nfs/dbraw/zinc/77/91/48/587779148.db2.gz QUAKIVKVTBXTKM-JZIMQPMSSA-N 1 1 246.354 1.832 20 10 BDCDMO C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841048313 587939250 /nfs/dbraw/zinc/93/92/50/587939250.db2.gz HHCBCSBDZOQTTR-MRVPVSSYSA-N 1 1 228.723 1.730 20 10 BDCDMO COc1cccc(CNCC2([NH3+])CCC2)c1O ZINC000841050526 587940154 /nfs/dbraw/zinc/94/01/54/587940154.db2.gz ICWZSYCAUKBFNO-UHFFFAOYSA-N 1 1 236.315 1.372 20 10 BDCDMO COc1cccc(C[NH2+]CC2(N)CCC2)c1O ZINC000841050526 587940155 /nfs/dbraw/zinc/94/01/55/587940155.db2.gz ICWZSYCAUKBFNO-UHFFFAOYSA-N 1 1 236.315 1.372 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CN ZINC000841060868 587941337 /nfs/dbraw/zinc/94/13/37/587941337.db2.gz RIHTWBCWANFFEH-LLVKDONJSA-N 1 1 221.348 1.498 20 10 BDCDMO C[C@@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841062785 587941569 /nfs/dbraw/zinc/94/15/69/587941569.db2.gz GDVWGDWBEOWAGN-ZETCQYMHSA-N 1 1 214.696 1.482 20 10 BDCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN)cc1 ZINC000841063507 587942238 /nfs/dbraw/zinc/94/22/38/587942238.db2.gz KYLUMQASRUJLPW-LBPRGKRZSA-N 1 1 235.375 1.970 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H]2CCCN[C@H]2C)c1 ZINC000841065573 587942444 /nfs/dbraw/zinc/94/24/44/587942444.db2.gz QRLQCXLMLDMUDE-AAEUAGOBSA-N 1 1 234.343 1.931 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000841077025 587944385 /nfs/dbraw/zinc/94/43/85/587944385.db2.gz WYKWVLSLLHCHFD-NXEZZACHSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1ccc(O)c(CN[C@H](C)[C@@H](C)[NH3+])c1 ZINC000841077025 587944387 /nfs/dbraw/zinc/94/43/87/587944387.db2.gz WYKWVLSLLHCHFD-NXEZZACHSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000841077575 587945132 /nfs/dbraw/zinc/94/51/32/587945132.db2.gz BURCXSLURNCRRT-RYUDHWBXSA-N 1 1 238.306 1.490 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCC[C@@H]2CN)c1O ZINC000843054508 588076903 /nfs/dbraw/zinc/07/69/03/588076903.db2.gz OZFPJGYNKAOMOC-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2CN)c1O ZINC000843054508 588076905 /nfs/dbraw/zinc/07/69/05/588076905.db2.gz OZFPJGYNKAOMOC-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO C[NH2+]C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843049728 588077017 /nfs/dbraw/zinc/07/70/17/588077017.db2.gz UUDAFHGRPRQCAX-UHFFFAOYSA-N 1 1 238.306 1.715 20 10 BDCDMO Nc1ccc(CCN[C@H]2CCC[NH2+]C2)cc1 ZINC000843126658 588084836 /nfs/dbraw/zinc/08/48/36/588084836.db2.gz SFHVTBCJKYNXAB-ZDUSSCGKSA-N 1 1 219.332 1.153 20 10 BDCDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(F)ccc1O ZINC000846111580 588257447 /nfs/dbraw/zinc/25/74/47/588257447.db2.gz QVZWXEBWHZCBNT-VIFPVBQESA-N 1 1 227.279 1.734 20 10 BDCDMO C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000846701861 588283608 /nfs/dbraw/zinc/28/36/08/588283608.db2.gz DUANCMORAXKYFR-MWLCHTKSSA-N 1 1 238.306 1.843 20 10 BDCDMO CCc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000848915273 588420183 /nfs/dbraw/zinc/42/01/83/588420183.db2.gz FFZZPBXSAKSMMD-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000848915273 588420184 /nfs/dbraw/zinc/42/01/84/588420184.db2.gz FFZZPBXSAKSMMD-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO [NH3+]C1(CNCc2cc(F)ccc2O)CCCC1 ZINC000849350395 588474944 /nfs/dbraw/zinc/47/49/44/588474944.db2.gz YGVIIIPQZCPEPN-UHFFFAOYSA-N 1 1 238.306 1.892 20 10 BDCDMO Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000862760449 589237858 /nfs/dbraw/zinc/23/78/58/589237858.db2.gz RAEANDHKCCMGKH-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO C[N@H+]1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202208 589744601 /nfs/dbraw/zinc/74/46/01/589744601.db2.gz AFNOUPXQFHCZLW-LBPRGKRZSA-N 1 1 246.310 1.329 20 10 BDCDMO CCC[N@@H+](CCO)Cc1ccc(C)cc1O ZINC000876537803 590211691 /nfs/dbraw/zinc/21/16/91/590211691.db2.gz CTCZRTGCXRDVHN-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+](CCO)C2CC2)c(O)c1 ZINC000876579119 590218039 /nfs/dbraw/zinc/21/80/39/590218039.db2.gz BIHZHVRIJHNOTM-UHFFFAOYSA-N 1 1 221.300 1.657 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1O ZINC000876815173 590245972 /nfs/dbraw/zinc/24/59/72/590245972.db2.gz NMDXWJLVJMEFJM-BXUZGUMPSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(O)c1 ZINC000877468070 590334398 /nfs/dbraw/zinc/33/43/98/590334398.db2.gz YCMCPUSIMCDOAG-JQWIXIFHSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cccc(O)c1C[NH2+]Cc1cnn(C)n1 ZINC000877522797 590347297 /nfs/dbraw/zinc/34/72/97/590347297.db2.gz RTTUXLBTKYRVDW-UHFFFAOYSA-N 1 1 232.287 1.119 20 10 BDCDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)c(O)c1 ZINC000877527712 590348884 /nfs/dbraw/zinc/34/88/84/590348884.db2.gz OCJLZTMYDVZNEK-CQSZACIVSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c(O)c1 ZINC000877535516 590350308 /nfs/dbraw/zinc/35/03/08/590350308.db2.gz PEVQBNRFOAXRDH-NSHDSACASA-N 1 1 248.326 1.398 20 10 BDCDMO CCC[N@@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000877547654 590354495 /nfs/dbraw/zinc/35/44/95/590354495.db2.gz FGQNDCBOMBXMOS-UHFFFAOYSA-N 1 1 236.315 1.398 20 10 BDCDMO OCc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702726 590395442 /nfs/dbraw/zinc/39/54/42/590395442.db2.gz FKOQVZGLEJCVCX-UHFFFAOYSA-N 1 1 245.278 1.993 20 10 BDCDMO OCc1ccc(C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702726 590395444 /nfs/dbraw/zinc/39/54/44/590395444.db2.gz FKOQVZGLEJCVCX-UHFFFAOYSA-N 1 1 245.278 1.993 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880418544 591028178 /nfs/dbraw/zinc/02/81/78/591028178.db2.gz CBBWEHPFQATLOC-UKRRQHHQSA-N 1 1 246.354 1.709 20 10 BDCDMO CC(C)[N@H+](Cc1ccccc1O)C[C@H](C)O ZINC000128552771 591119834 /nfs/dbraw/zinc/11/98/34/591119834.db2.gz BBALSPDLIZQGGQ-NSHDSACASA-N 1 1 223.316 1.983 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N(C)C)C2)c1 ZINC000134165020 591898500 /nfs/dbraw/zinc/89/85/00/591898500.db2.gz XIRBOCTXSSEDML-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1nnc(C[NH2+]Cc2ccccc2O)s1 ZINC000134665163 591945741 /nfs/dbraw/zinc/94/57/41/591945741.db2.gz RRQWMFBJLICXCK-UHFFFAOYSA-N 1 1 235.312 1.842 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1c(O)cccc1F ZINC000886522912 592244534 /nfs/dbraw/zinc/24/45/34/592244534.db2.gz SYBPNBJNWVTUBA-NXEZZACHSA-N 1 1 238.306 1.886 20 10 BDCDMO CCOCC[N@@H+](C)Cc1ccccc1O ZINC000096868852 635540471 /nfs/dbraw/zinc/54/04/71/635540471.db2.gz WHSJLUCAZYEMSX-UHFFFAOYSA-N 1 1 209.289 1.861 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934013195 631592837 /nfs/dbraw/zinc/59/28/37/631592837.db2.gz GFOZJSOVUIJEJE-CQSZACIVSA-N 1 1 234.343 1.709 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1c(O)cccc1F ZINC000927142262 637052711 /nfs/dbraw/zinc/05/27/11/637052711.db2.gz BITZESXYLVYLSK-OPRDCNLKSA-N 1 1 239.290 1.953 20 10 BDCDMO [NH3+][C@H]1C[C@H](NCc2c(O)cccc2Cl)C1 ZINC000906508055 638178646 /nfs/dbraw/zinc/17/86/46/638178646.db2.gz JJWYSOKWIOPIDV-ZKCHVHJHSA-N 1 1 226.707 1.625 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(F)cc1O ZINC000087783776 641036727 /nfs/dbraw/zinc/03/67/27/641036727.db2.gz GSDUQCYMOQLTPU-SCZZXKLOSA-N 1 1 225.263 1.971 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CC2CC(O)C2)cc1 ZINC000191168044 641904506 /nfs/dbraw/zinc/90/45/06/641904506.db2.gz GZLOPDZCJSRJJZ-UHFFFAOYSA-N 1 1 248.370 1.955 20 10 BDCDMO OCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191474461 641922774 /nfs/dbraw/zinc/92/27/74/641922774.db2.gz ADLUZYIDTYDQPZ-UHFFFAOYSA-N 1 1 245.681 1.799 20 10 BDCDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccccc1O ZINC000179558828 642725464 /nfs/dbraw/zinc/72/54/64/642725464.db2.gz ZVZBHXFMJJFVTC-PWSUYJOCSA-N 1 1 248.326 1.478 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2C[C@@H](C)N[C@H](C)C2)c1 ZINC000070075569 642961396 /nfs/dbraw/zinc/96/13/96/642961396.db2.gz CUGTXCUNGVNVJU-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO C[N@H+]1CC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000735688507 643553119 /nfs/dbraw/zinc/55/31/19/643553119.db2.gz XBIIOIHGBROAEY-QMMMGPOBSA-N 1 1 240.328 1.135 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C)NC[C@@H]2C)c1 ZINC000086467020 644139210 /nfs/dbraw/zinc/13/92/10/644139210.db2.gz PRPHOYXHQQRYFY-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)NC[C@@H]2C)c1 ZINC000086467020 644139214 /nfs/dbraw/zinc/13/92/14/644139214.db2.gz PRPHOYXHQQRYFY-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000194157315 644305341 /nfs/dbraw/zinc/30/53/41/644305341.db2.gz CZKUHPQWGQPNTD-LBPRGKRZSA-N 1 1 234.343 1.973 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000194157315 644305343 /nfs/dbraw/zinc/30/53/43/644305343.db2.gz CZKUHPQWGQPNTD-LBPRGKRZSA-N 1 1 234.343 1.973 20 10 BDCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2CN)ccc1N(C)C ZINC000923291049 644325268 /nfs/dbraw/zinc/32/52/68/644325268.db2.gz AEQPCPQFPBSMKI-CQSZACIVSA-N 1 1 247.386 1.984 20 10 BDCDMO Cc1cc(C[N@H+]2CCC[C@@H]2CN)ccc1N(C)C ZINC000923291049 644325275 /nfs/dbraw/zinc/32/52/75/644325275.db2.gz AEQPCPQFPBSMKI-CQSZACIVSA-N 1 1 247.386 1.984 20 10 BDCDMO COc1ccc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320618 644589176 /nfs/dbraw/zinc/58/91/76/644589176.db2.gz RFQOEOYBWYALQB-VXGBXAGGSA-N 1 1 248.326 1.052 20 10 BDCDMO CC[C@@H]([NH3+])CN[C@@H](C)c1cc(OC)ccc1O ZINC000817980865 644995232 /nfs/dbraw/zinc/99/52/32/644995232.db2.gz XQJKKTRMAGGVFJ-VHSXEESVSA-N 1 1 238.331 1.789 20 10 BDCDMO CC[C@@H](N)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817980865 644995234 /nfs/dbraw/zinc/99/52/34/644995234.db2.gz XQJKKTRMAGGVFJ-VHSXEESVSA-N 1 1 238.331 1.789 20 10 BDCDMO CN(Cc1ccccc1O)C[C@@]1(C)CC[NH2+]C1 ZINC000843060901 645257896 /nfs/dbraw/zinc/25/78/96/645257896.db2.gz RCGTVSAFOMJGEX-AWEZNQCLSA-N 1 1 234.343 1.824 20 10 BDCDMO C[C@H](O)C[N@@H+](Cc1ccccc1O)C1CC1 ZINC000848928620 645443709 /nfs/dbraw/zinc/44/37/09/645443709.db2.gz JCEWOWOPMLVSLJ-JTQLQIEISA-N 1 1 221.300 1.737 20 10 BDCDMO Nc1ccc(CC[NH2+][C@H]2C[C@@H](N)C23CCC3)cc1 ZINC000925694723 646420501 /nfs/dbraw/zinc/42/05/01/646420501.db2.gz SLGPPVGATGFYNY-KGLIPLIRSA-N 1 1 245.370 1.671 20 10 BDCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000398536558 711412124 /nfs/dbraw/zinc/41/21/24/711412124.db2.gz ZEPIQKPTOAKXDH-LLVKDONJSA-N 1 1 248.326 1.269 20 10 BDCDMO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)CN1 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C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(F)cc1O ZINC000712594665 712436296 /nfs/dbraw/zinc/43/62/96/712436296.db2.gz NPGBUMQSPHPECH-MWLCHTKSSA-N 1 1 238.306 1.886 20 10 BDCDMO Cc1c[nH]nc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716439043 712560459 /nfs/dbraw/zinc/56/04/59/712560459.db2.gz FEHFCLAXTRQQNK-UHFFFAOYSA-N 1 1 243.310 1.943 20 10 BDCDMO C[C@@H]([NH2+]CCN)c1ccc(N(C)C)cc1 ZINC000037712897 712744694 /nfs/dbraw/zinc/74/46/94/712744694.db2.gz BLLWKDDEPSYKPD-SNVBAGLBSA-N 1 1 207.321 1.362 20 10 BDCDMO COC1(C)C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204272262 966954106 /nfs/dbraw/zinc/95/41/06/966954106.db2.gz LDLUNNPXJFFISA-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO Oc1cccc2c1C[N@H+](Cc1c[nH]cn1)CC2 ZINC001136871806 972288049 /nfs/dbraw/zinc/28/80/49/972288049.db2.gz KFTLYMULRUBZPS-UHFFFAOYSA-N 1 1 229.283 1.674 20 10 BDCDMO Oc1cccc2c1C[N@@H+](Cc1c[nH]cn1)CC2 ZINC001136871806 972288050 /nfs/dbraw/zinc/28/80/50/972288050.db2.gz KFTLYMULRUBZPS-UHFFFAOYSA-N 1 1 229.283 1.674 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1 ZINC001140619403 960458920 /nfs/dbraw/zinc/45/89/20/960458920.db2.gz CICVJRWDIIKBBO-BXUZGUMPSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC001140744243 960545703 /nfs/dbraw/zinc/54/57/03/960545703.db2.gz QMLWSKNCYQZRDH-TXEJJXNPSA-N 1 1 249.310 1.484 20 10 BDCDMO Cc1c(O)ccc(C[NH+]2CC3(C2)CCCO3)c1O ZINC001140744023 960545783 /nfs/dbraw/zinc/54/57/83/960545783.db2.gz IQLBOLOAHPXOMO-UHFFFAOYSA-N 1 1 249.310 1.771 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](CO)C2)c1O ZINC001140745223 960553341 /nfs/dbraw/zinc/55/33/41/960553341.db2.gz AOSMXBWKJMEICP-JTQLQIEISA-N 1 1 237.299 1.220 20 10 BDCDMO Cc1ccc(C[NH+]2CC(N(C)C)C2)c(O)c1 ZINC001140947821 960745955 /nfs/dbraw/zinc/74/59/55/960745955.db2.gz HBSOYEIJKMXSEM-UHFFFAOYSA-N 1 1 220.316 1.446 20 10 BDCDMO Cc1ccc(C[N@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001140950798 960752585 /nfs/dbraw/zinc/75/25/85/960752585.db2.gz JGFOSDCMUDSTLF-GFCCVEGCSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001140950656 960759197 /nfs/dbraw/zinc/75/91/97/960759197.db2.gz AQTXDBCOLHCLMD-CYBMUJFWSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C2)c(O)c1 ZINC001140950656 960759218 /nfs/dbraw/zinc/75/92/18/960759218.db2.gz AQTXDBCOLHCLMD-CYBMUJFWSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C2)c(O)c1 ZINC001140950656 960759235 /nfs/dbraw/zinc/75/92/35/960759235.db2.gz AQTXDBCOLHCLMD-CYBMUJFWSA-N 1 1 234.343 1.837 20 10 BDCDMO C[C@@H]1COCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156221 960889863 /nfs/dbraw/zinc/88/98/63/960889863.db2.gz HONBHOYYACDJEB-JTQLQIEISA-N 1 1 237.299 1.566 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156052 960889913 /nfs/dbraw/zinc/88/99/13/960889913.db2.gz DMTKIHRTKFRCIF-JOYOIKCWSA-N 1 1 237.299 1.301 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC001141156872 960892801 /nfs/dbraw/zinc/89/28/01/960892801.db2.gz WBSWZCFJBGMPEB-CMPLNLGQSA-N 1 1 241.262 1.003 20 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1.463 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001141162454 960899989 /nfs/dbraw/zinc/89/99/89/960899989.db2.gz SARGKXYDSALQFT-UHFFFAOYSA-N 1 1 235.283 1.463 20 10 BDCDMO C[N@H+](Cc1ccncn1)Cc1cc(O)ccc1O ZINC001141162947 960906120 /nfs/dbraw/zinc/90/61/20/960906120.db2.gz LZGWSUQFHNOMOU-UHFFFAOYSA-N 1 1 245.282 1.520 20 10 BDCDMO C[N@@H+](Cc1ccncn1)Cc1cc(O)ccc1O ZINC001141162947 960906139 /nfs/dbraw/zinc/90/61/39/960906139.db2.gz LZGWSUQFHNOMOU-UHFFFAOYSA-N 1 1 245.282 1.520 20 10 BDCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C)C1 ZINC000710529723 962406276 /nfs/dbraw/zinc/40/62/76/962406276.db2.gz CGHPCSGEWDQLKY-CYBMUJFWSA-N 1 1 234.343 1.918 20 10 BDCDMO COCC[N@H+](CCF)Cc1cc(F)ccc1O ZINC000697046613 963678583 /nfs/dbraw/zinc/67/85/83/963678583.db2.gz JKSCHUKDHCCWCN-UHFFFAOYSA-N 1 1 245.269 1.949 20 10 BDCDMO COCC[N@@H+](CCF)Cc1cc(F)ccc1O ZINC000697046613 963678588 /nfs/dbraw/zinc/67/85/88/963678588.db2.gz JKSCHUKDHCCWCN-UHFFFAOYSA-N 1 1 245.269 1.949 20 10 BDCDMO OC[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142509012 964347416 /nfs/dbraw/zinc/34/74/16/964347416.db2.gz SYGBNECSUBPDDG-SECBINFHSA-N 1 1 243.253 1.627 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142509012 964347434 /nfs/dbraw/zinc/34/74/34/964347434.db2.gz SYGBNECSUBPDDG-SECBINFHSA-N 1 1 243.253 1.627 20 10 BDCDMO CNc1ccccc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162689790 965124364 /nfs/dbraw/zinc/12/43/64/965124364.db2.gz OZRCATGERZYWKD-LLVKDONJSA-N 1 1 235.331 1.471 20 10 BDCDMO CNc1ccccc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162689790 965124370 /nfs/dbraw/zinc/12/43/70/965124370.db2.gz OZRCATGERZYWKD-LLVKDONJSA-N 1 1 235.331 1.471 20 10 BDCDMO Cc1ccc(C[NH+]2C[C@@H](C)N[C@H](C)C2)c(O)c1 ZINC001236580432 966460630 /nfs/dbraw/zinc/46/06/30/966460630.db2.gz ZRAOJYKUMQMEJC-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Oc1ccccc1C[NH+]1CC2(CCO2)C1 ZINC001203556662 966686738 /nfs/dbraw/zinc/68/67/38/966686738.db2.gz VTZKLPJJIQBTOM-UHFFFAOYSA-N 1 1 205.257 1.367 20 10 BDCDMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203560633 966690161 /nfs/dbraw/zinc/69/01/61/966690161.db2.gz DUXIQCDTPYSOIO-CYBMUJFWSA-N 1 1 248.326 1.445 20 10 BDCDMO COC[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC001203560644 966690209 /nfs/dbraw/zinc/69/02/09/966690209.db2.gz FDTCHEGRJXZELF-LBPRGKRZSA-N 1 1 237.299 1.239 20 10 BDCDMO COC[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC001203560644 966690218 /nfs/dbraw/zinc/69/02/18/966690218.db2.gz FDTCHEGRJXZELF-LBPRGKRZSA-N 1 1 237.299 1.239 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1O ZINC001203555645 966691374 /nfs/dbraw/zinc/69/13/74/966691374.db2.gz BAJYOUNHMYYOHO-PWSUYJOCSA-N 1 1 221.300 1.737 20 10 BDCDMO COc1ccc(C[N@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001203634505 966717608 /nfs/dbraw/zinc/71/76/08/966717608.db2.gz JMDXJERAGAWMSB-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1ccc(O)c(CN2CC[N@H+]3CC[C@H]3C2)c1 ZINC001203683706 966737040 /nfs/dbraw/zinc/73/70/40/966737040.db2.gz AXGHUWPASWRGPL-LBPRGKRZSA-N 1 1 248.326 1.291 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCN3CC[C@H]3C2)c1 ZINC001203683706 966737056 /nfs/dbraw/zinc/73/70/56/966737056.db2.gz AXGHUWPASWRGPL-LBPRGKRZSA-N 1 1 248.326 1.291 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203880230 966807828 /nfs/dbraw/zinc/80/78/28/966807828.db2.gz MQBRLYRTHXJXAA-NWDGAFQWSA-N 1 1 248.326 1.234 20 10 BDCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CN(C)C1 ZINC001203937603 966824007 /nfs/dbraw/zinc/82/40/07/966824007.db2.gz ZHTLNNJXFAEFJJ-UHFFFAOYSA-N 1 1 247.386 1.889 20 10 BDCDMO CCCOC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204275776 966950209 /nfs/dbraw/zinc/95/02/09/966950209.db2.gz ZESZZTTZGHHMKK-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204276580 966957336 /nfs/dbraw/zinc/95/73/36/966957336.db2.gz NOLNMMFBRQUWCT-NSHDSACASA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204279226 966957605 /nfs/dbraw/zinc/95/76/05/966957605.db2.gz SZCLOXURQFZWOZ-BXKDBHETSA-N 1 1 237.299 1.443 20 10 BDCDMO 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/nfs/dbraw/zinc/25/68/71/588256871.db2.gz HUPXQCVMBYXLTM-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@@H](C)CCO)c1O ZINC000846112717 588257324 /nfs/dbraw/zinc/25/73/24/588257324.db2.gz WXJIXOCLGKJAJL-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(F)cc1O ZINC000846209240 588260011 /nfs/dbraw/zinc/26/00/11/588260011.db2.gz PSFJOTYKKADFFM-WCBMZHEXSA-N 1 1 245.269 1.902 20 10 BDCDMO Nc1ccc(NC(=O)CC(F)(F)C[NH3+])cc1 ZINC000846661545 588281512 /nfs/dbraw/zinc/28/15/12/588281512.db2.gz CNVOCYMBPBHTTG-UHFFFAOYSA-N 1 1 229.230 1.191 20 10 BDCDMO C[C@H]1CNCC[N@@H+]1Cc1ccccc1O ZINC000107093371 588328743 /nfs/dbraw/zinc/32/87/43/588328743.db2.gz PTIIEYIJBSMKBU-JTQLQIEISA-N 1 1 206.289 1.186 20 10 BDCDMO C[C@H]1CNCC[N@H+]1Cc1ccccc1O ZINC000107093371 588328746 /nfs/dbraw/zinc/32/87/46/588328746.db2.gz PTIIEYIJBSMKBU-JTQLQIEISA-N 1 1 206.289 1.186 20 10 BDCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417509 588544772 /nfs/dbraw/zinc/54/47/72/588544772.db2.gz ARHIJMHXEDOGNJ-LJGSYFOKSA-N 1 1 245.681 1.798 20 10 BDCDMO OC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000862529645 589218420 /nfs/dbraw/zinc/21/84/20/589218420.db2.gz XQZDASYSVFULQJ-DZGCQCFKSA-N 1 1 247.338 1.987 20 10 BDCDMO C[N@H+]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203354 589744505 /nfs/dbraw/zinc/74/45/05/589744505.db2.gz YLBVDSKHZKZACJ-NSHDSACASA-N 1 1 246.310 1.186 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000876511312 590205728 /nfs/dbraw/zinc/20/57/28/590205728.db2.gz DRDIPKPRSFGEAH-LBPRGKRZSA-N 1 1 248.326 1.398 20 10 BDCDMO CC[N@@H+](CC(=O)NC)Cc1ccc(C)cc1O ZINC000876577712 590218044 /nfs/dbraw/zinc/21/80/44/590218044.db2.gz KTGKDXFLFWMZPR-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO CNC(=O)CC[N@@H+](C)Cc1c(C)cccc1O ZINC000876683747 590230354 /nfs/dbraw/zinc/23/03/54/590230354.db2.gz FXBNPZBXSRENCK-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876745702 590236664 /nfs/dbraw/zinc/23/66/64/590236664.db2.gz KAHQHSDLIWFDMU-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(O)c1 ZINC000876754596 590239155 /nfs/dbraw/zinc/23/91/55/590239155.db2.gz UDEYTJKBFASBEZ-GFCCVEGCSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000876816400 590246148 /nfs/dbraw/zinc/24/61/48/590246148.db2.gz YIDGTCXQEBCHJU-NSHDSACASA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(O)c1 ZINC000877464000 590332175 /nfs/dbraw/zinc/33/21/75/590332175.db2.gz IETOMNYOXFVPCQ-DGCLKSJQSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+](C)CCN(C)C)c(O)c1 ZINC000877522534 590346351 /nfs/dbraw/zinc/34/63/51/590346351.db2.gz BWGMLYNGZFVMSB-UHFFFAOYSA-N 1 1 222.332 1.694 20 10 BDCDMO Cc1ccc(CN(C)CC[NH+](C)C)c(O)c1 ZINC000877522534 590346353 /nfs/dbraw/zinc/34/63/53/590346353.db2.gz BWGMLYNGZFVMSB-UHFFFAOYSA-N 1 1 222.332 1.694 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1ccc(C)cc1O ZINC000877550145 590353964 /nfs/dbraw/zinc/35/39/64/590353964.db2.gz MQZGNNDDODYNTD-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO CCC[N@@H+](CC(N)=O)Cc1c(C)cccc1O ZINC000877547894 590354197 /nfs/dbraw/zinc/35/41/97/590354197.db2.gz NTNNVRQOUZNSBN-UHFFFAOYSA-N 1 1 236.315 1.398 20 10 BDCDMO Cc1ccc(C[NH+]2CC(C)(O)C2)c(O)c1 ZINC000877581358 590365368 /nfs/dbraw/zinc/36/53/68/590365368.db2.gz YVNCNCJLPNUZPU-UHFFFAOYSA-N 1 1 207.273 1.267 20 10 BDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877594987 590369786 /nfs/dbraw/zinc/36/97/86/590369786.db2.gz PADZZHIBWSENRI-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)c(O)c1 ZINC000877641628 590383080 /nfs/dbraw/zinc/38/30/80/590383080.db2.gz CECBWTAKLJSNCZ-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1ccc(C[N@H+]2CCc3nn[nH]c3C2)c(O)c1 ZINC000877641628 590383083 /nfs/dbraw/zinc/38/30/83/590383083.db2.gz CECBWTAKLJSNCZ-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO [NH3+]C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128320433 590978745 /nfs/dbraw/zinc/97/87/45/590978745.db2.gz SIHJNYDOUYHRCI-VIFPVBQESA-N 1 1 240.734 1.826 20 10 BDCDMO [NH3+]C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128320433 590978747 /nfs/dbraw/zinc/97/87/47/590978747.db2.gz SIHJNYDOUYHRCI-VIFPVBQESA-N 1 1 240.734 1.826 20 10 BDCDMO CN(C)c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000132023958 591683189 /nfs/dbraw/zinc/68/31/89/591683189.db2.gz UEIYFHYEABVRON-CQSZACIVSA-N 1 1 247.386 1.842 20 10 BDCDMO C[C@@H]([NH2+]CCN1CCC1)c1c(O)cccc1F ZINC000886555363 592259476 /nfs/dbraw/zinc/25/94/76/592259476.db2.gz QQONVHWXBYDXBZ-SNVBAGLBSA-N 1 1 238.306 1.888 20 10 BDCDMO C[C@@H]([NH2+]C/C=C/CO)c1c(O)cccc1F ZINC000886636069 592284483 /nfs/dbraw/zinc/28/44/83/592284483.db2.gz FSWKWNILDIJVJU-GKQMSVHHSA-N 1 1 225.263 1.730 20 10 BDCDMO C[C@@H](NCC(C)(C)[NH3+])c1ccccc1O ZINC000139130677 592369482 /nfs/dbraw/zinc/36/94/82/592369482.db2.gz QPJXFTPYOACMNH-SECBINFHSA-N 1 1 208.305 1.780 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C)NC[C@H]2C)c1 ZINC000251169875 635703318 /nfs/dbraw/zinc/70/33/18/635703318.db2.gz PRPHOYXHQQRYFY-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)NC[C@H]2C)c1 ZINC000251169875 635703322 /nfs/dbraw/zinc/70/33/22/635703322.db2.gz PRPHOYXHQQRYFY-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@@H](CN)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000162066871 633019570 /nfs/dbraw/zinc/01/95/70/633019570.db2.gz HAMOAQSPXPDZFK-JTQLQIEISA-N 1 1 220.316 1.448 20 10 BDCDMO C[C@H](O)C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000164591975 633079981 /nfs/dbraw/zinc/07/99/81/633079981.db2.gz MEPHCRUXWUFPQY-IUCAKERBSA-N 1 1 227.279 1.780 20 10 BDCDMO CN(C)c1ccc(C[NH2+]CC2(N)CC2)cc1F ZINC000904448899 637413558 /nfs/dbraw/zinc/41/35/58/637413558.db2.gz DQDFKBQMYQKUGV-UHFFFAOYSA-N 1 1 237.322 1.473 20 10 BDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000228356556 640872259 /nfs/dbraw/zinc/87/22/59/640872259.db2.gz QNTWTRFGGPOYJR-ZDUSSCGKSA-N 1 1 248.326 1.411 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000190057234 641831599 /nfs/dbraw/zinc/83/15/99/641831599.db2.gz BBXURCOIUWHRRZ-DOMZBBRYSA-N 1 1 248.370 1.955 20 10 BDCDMO C[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190854945 641891578 /nfs/dbraw/zinc/89/15/78/641891578.db2.gz MDFZEDNZDMQQOY-ZCFIWIBFSA-N 1 1 233.670 1.655 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]Cc2ccon2)c1 ZINC000086452630 644139532 /nfs/dbraw/zinc/13/95/32/644139532.db2.gz FKOYYAOBQHKPLQ-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC000249039815 644710072 /nfs/dbraw/zinc/71/00/72/644710072.db2.gz CYVDFJJFHIDGLN-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO CC[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(F)cc1O ZINC000925859946 646512782 /nfs/dbraw/zinc/51/27/82/646512782.db2.gz LQCVOTSFTZAUCL-MWLCHTKSSA-N 1 1 240.278 1.475 20 10 BDCDMO C[C@@H](CCO)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481164 712192324 /nfs/dbraw/zinc/19/23/24/712192324.db2.gz AAVOTUKMGRWWBK-QMMMGPOBSA-N 1 1 245.269 1.779 20 10 BDCDMO C[NH2+]CCN(C)Cc1cccc(Cl)c1O ZINC000379421761 712384303 /nfs/dbraw/zinc/38/43/03/712384303.db2.gz AQIJNLRDNVAIAO-UHFFFAOYSA-N 1 1 228.723 1.697 20 10 BDCDMO CN1CC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000712583094 712434299 /nfs/dbraw/zinc/43/42/99/712434299.db2.gz WZDANEXUJNUIOS-JTQLQIEISA-N 1 1 242.269 1.464 20 10 BDCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000389815938 711090174 /nfs/dbraw/zinc/09/01/74/711090174.db2.gz PDAOLSWCHJHDNY-JTQLQIEISA-N 1 1 246.314 1.680 20 10 BDCDMO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1O ZINC000389821221 711091121 /nfs/dbraw/zinc/09/11/21/711091121.db2.gz FARNCCKCLCVABM-VIFPVBQESA-N 1 1 232.287 1.372 20 10 BDCDMO COc1ccc(C[NH2+]Cc2cn(C)nn2)cc1C ZINC000389821924 711091421 /nfs/dbraw/zinc/09/14/21/711091421.db2.gz LBOMQWDBSQKGRY-UHFFFAOYSA-N 1 1 246.314 1.422 20 10 BDCDMO C[C@@H](O)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708485208 712211403 /nfs/dbraw/zinc/21/14/03/712211403.db2.gz LRPMIWWELHDPLQ-MRVPVSSYSA-N 1 1 245.269 1.921 20 10 BDCDMO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(F)cc1O ZINC000720907389 712876610 /nfs/dbraw/zinc/87/66/10/712876610.db2.gz LHYPEMZTFMPBCY-ATZCPNFKSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@H]1CC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233483250 978613716 /nfs/dbraw/zinc/61/37/16/978613716.db2.gz SDPYOZYJAONYKK-ZETCQYMHSA-N 1 1 209.245 1.398 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC001238064743 980132468 /nfs/dbraw/zinc/13/24/68/980132468.db2.gz QGUAJOZTIJWCGU-CYBMUJFWSA-N 1 1 239.290 1.796 20 10 BDCDMO Nc1ccc(CO[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001217779905 971399779 /nfs/dbraw/zinc/39/97/79/971399779.db2.gz VEARFNPGAFIMND-NSHDSACASA-N 1 1 242.269 1.783 20 10 BDCDMO Nc1ccc(CO[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001217779902 971400167 /nfs/dbraw/zinc/40/01/67/971400167.db2.gz VEARFNPGAFIMND-LLVKDONJSA-N 1 1 242.269 1.783 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)C2COC2)c1 ZINC001140621303 960467221 /nfs/dbraw/zinc/46/72/21/960467221.db2.gz UXRAQFTUZFLGBT-UHFFFAOYSA-N 1 1 207.273 1.531 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001140742035 960543974 /nfs/dbraw/zinc/54/39/74/960543974.db2.gz HUFIQMHEWBKZSR-VIFPVBQESA-N 1 1 249.310 1.817 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001140742035 960543985 /nfs/dbraw/zinc/54/39/85/960543985.db2.gz HUFIQMHEWBKZSR-VIFPVBQESA-N 1 1 249.310 1.817 20 10 BDCDMO CC[N@@H+](CCOC)Cc1ccc(O)c(C)c1O ZINC001140742149 960545727 /nfs/dbraw/zinc/54/57/27/960545727.db2.gz INMRXYVNHXCJCO-UHFFFAOYSA-N 1 1 239.315 1.875 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001140947743 960748714 /nfs/dbraw/zinc/74/87/14/960748714.db2.gz DBNNZISFPZWESH-DGCLKSJQSA-N 1 1 239.290 1.605 20 10 BDCDMO CC1(C)C[N@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141155854 960892784 /nfs/dbraw/zinc/89/27/84/960892784.db2.gz MSLJDFFEPJPJSU-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO CC1(C)C[N@@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141155854 960892787 /nfs/dbraw/zinc/89/27/87/960892787.db2.gz MSLJDFFEPJPJSU-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO Cn1cc(C[N@H+](C)Cc2cc(O)ccc2O)cn1 ZINC001141156101 960893285 /nfs/dbraw/zinc/89/32/85/960893285.db2.gz QMEYYGJMPHTWOD-UHFFFAOYSA-N 1 1 247.298 1.463 20 10 BDCDMO Cn1cc(C[N@@H+](C)Cc2cc(O)ccc2O)cn1 ZINC001141156101 960893286 /nfs/dbraw/zinc/89/32/86/960893286.db2.gz QMEYYGJMPHTWOD-UHFFFAOYSA-N 1 1 247.298 1.463 20 10 BDCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141159262 960894619 /nfs/dbraw/zinc/89/46/19/960894619.db2.gz BJQCGHNIAJCWSU-FZMZJTMJSA-N 1 1 249.310 1.851 20 10 BDCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159149 960895714 /nfs/dbraw/zinc/89/57/14/960895714.db2.gz AKWJOKRGTMQLMK-NSHDSACASA-N 1 1 249.310 1.899 20 10 BDCDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159145 960897809 /nfs/dbraw/zinc/89/78/09/960897809.db2.gz AKWJOKRGTMQLMK-LLVKDONJSA-N 1 1 249.310 1.899 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)[C@@H](C)CO1 ZINC001141162515 960899102 /nfs/dbraw/zinc/89/91/02/960899102.db2.gz VNTQHJNXKHMEKN-VHSXEESVSA-N 1 1 237.299 1.707 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)[C@@H](C)CO1 ZINC001141162515 960899105 /nfs/dbraw/zinc/89/91/05/960899105.db2.gz VNTQHJNXKHMEKN-VHSXEESVSA-N 1 1 237.299 1.707 20 10 BDCDMO C[C@]1([NH3+])CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001204783086 963546060 /nfs/dbraw/zinc/54/60/60/963546060.db2.gz OJDGQXHZIZDDFT-LBPRGKRZSA-N 1 1 242.269 1.594 20 10 BDCDMO C[C@@]1([NH3+])CCN(Cc2cccc(Cl)c2O)C1 ZINC001204791659 963593453 /nfs/dbraw/zinc/59/34/53/963593453.db2.gz RCXFNFHJVOFEBA-GFCCVEGCSA-N 1 1 240.734 1.969 20 10 BDCDMO C[C@@H](CC[NH2+]Cc1ccccc1O)N(C)C ZINC000697884609 964607083 /nfs/dbraw/zinc/60/70/83/964607083.db2.gz ATRVLMGKIVBHJJ-NSHDSACASA-N 1 1 222.332 1.822 20 10 BDCDMO C[N@@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCOC1 ZINC001233012070 965454896 /nfs/dbraw/zinc/45/48/96/965454896.db2.gz IQDOVPLPDHLYJQ-VIFPVBQESA-N 1 1 239.271 1.024 20 10 BDCDMO Oc1cc(F)cc(F)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236290100 966345059 /nfs/dbraw/zinc/34/50/59/966345059.db2.gz RQFNOLDYMLEZQX-HQJQHLMTSA-N 1 1 240.253 1.074 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)CC[C@H]1O ZINC001203550485 966679535 /nfs/dbraw/zinc/67/95/35/966679535.db2.gz VYJGEAUFQZLHCU-DGCLKSJQSA-N 1 1 235.327 1.985 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1F ZINC001203550367 966681062 /nfs/dbraw/zinc/68/10/62/966681062.db2.gz TXTSEDIPGPWDRO-JQWIXIFHSA-N 1 1 225.263 1.561 20 10 BDCDMO CC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC ZINC001203562618 966690864 /nfs/dbraw/zinc/69/08/64/966690864.db2.gz NHNINLXTCDFWNP-JTQLQIEISA-N 1 1 237.299 1.776 20 10 BDCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC ZINC001203562618 966690869 /nfs/dbraw/zinc/69/08/69/966690869.db2.gz NHNINLXTCDFWNP-JTQLQIEISA-N 1 1 237.299 1.776 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCN2CC[C@@H]2C1 ZINC001203563313 966691688 /nfs/dbraw/zinc/69/16/88/966691688.db2.gz YTABCKMDFNJJJP-GFCCVEGCSA-N 1 1 218.300 1.282 20 10 BDCDMO Oc1ccccc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001203563313 966691689 /nfs/dbraw/zinc/69/16/89/966691689.db2.gz YTABCKMDFNJJJP-GFCCVEGCSA-N 1 1 218.300 1.282 20 10 BDCDMO Oc1ccccc1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001203563313 966691696 /nfs/dbraw/zinc/69/16/96/966691696.db2.gz YTABCKMDFNJJJP-GFCCVEGCSA-N 1 1 218.300 1.282 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@]23CCOC3)c1O ZINC001203601778 966700813 /nfs/dbraw/zinc/70/08/13/966700813.db2.gz KWASPQVBCFPABN-CQSZACIVSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1ccc(CN2CC3(C2)C[NH+](C)C3)c(O)c1 ZINC001203634999 966716102 /nfs/dbraw/zinc/71/61/02/966716102.db2.gz FQRRXJHCENNNII-UHFFFAOYSA-N 1 1 248.326 1.148 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1O ZINC001203635064 966717397 /nfs/dbraw/zinc/71/73/97/966717397.db2.gz IPDJXWTZPJCONI-NSHDSACASA-N 1 1 237.299 1.622 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874929 966805018 /nfs/dbraw/zinc/80/50/18/966805018.db2.gz FJZAPMQMKCNMAB-SECBINFHSA-N 1 1 207.273 1.940 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cc1O ZINC001203878180 966805195 /nfs/dbraw/zinc/80/51/95/966805195.db2.gz QOHDCJAFAJLVHE-RISCZKNCSA-N 1 1 249.310 1.709 20 10 BDCDMO COC[C@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875362 966805731 /nfs/dbraw/zinc/80/57/31/966805731.db2.gz MQQUJIMOQGOZRL-LLVKDONJSA-N 1 1 237.299 1.709 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)C2(C)COC2)cc1 ZINC001203937912 966823866 /nfs/dbraw/zinc/82/38/66/966823866.db2.gz YYKVQPRNQDXFKT-UHFFFAOYSA-N 1 1 234.343 1.973 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001203929431 966825433 /nfs/dbraw/zinc/82/54/33/966825433.db2.gz CMJKZYQKMKXKPZ-OAHLLOKOSA-N 1 1 248.370 1.957 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001204277281 966956849 /nfs/dbraw/zinc/95/68/49/966956849.db2.gz XTJIICDBKLOEGN-DLOVCJGASA-N 1 1 237.274 1.888 20 10 BDCDMO CCOC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204276724 966960599 /nfs/dbraw/zinc/96/05/99/966960599.db2.gz PFSMSZCJBFRGAS-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO Cn1ccc(C2=CCC[N@@H+](C)C2)cc1=O ZINC001241569002 969061287 /nfs/dbraw/zinc/06/12/87/969061287.db2.gz OXSCRSQTAUXCJK-UHFFFAOYSA-N 1 1 204.273 1.104 20 10 BDCDMO CN1CCC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001255493616 970255901 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COC[C@@H](C[NH2+]Cc1cccc(F)c1O)OC ZINC000227717417 386508674 /nfs/dbraw/zinc/50/86/74/386508674.db2.gz DVDVVLLHKOVCRP-SNVBAGLBSA-N 1 1 243.278 1.282 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(F)cc1O ZINC000296109882 386709542 /nfs/dbraw/zinc/70/95/42/386709542.db2.gz ZLLODQRRYLWLAD-UJNFCWOMSA-N 1 1 225.263 1.705 20 10 BDCDMO CC[C@H]([NH2+][C@@H](C)CO)c1ccc(F)cc1O ZINC000285960516 387297852 /nfs/dbraw/zinc/29/78/52/387297852.db2.gz GPDUZKMPVIDDQG-KWQFWETISA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@@H]([NH2+][C@@H](C)CO)c1ccc(F)cc1O ZINC000285960506 170907726 /nfs/dbraw/zinc/90/77/26/170907726.db2.gz GPDUZKMPVIDDQG-GZMMTYOYSA-N 1 1 227.279 1.953 20 10 BDCDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000378499296 173133976 /nfs/dbraw/zinc/13/39/76/173133976.db2.gz PPJOURGSIRUZTE-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@@H+]1CC[C@@H]2CCN(Cc3ccccc3O)C[C@@H]21 ZINC000378499296 173133978 /nfs/dbraw/zinc/13/39/78/173133978.db2.gz PPJOURGSIRUZTE-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccccc3O)C[C@@H]21 ZINC000378499296 173133980 /nfs/dbraw/zinc/13/39/80/173133980.db2.gz PPJOURGSIRUZTE-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO COCCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000134044635 174218499 /nfs/dbraw/zinc/21/84/99/174218499.db2.gz FBWBECVGPOBUFL-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO COCCOCC[N@@H+](C)Cc1ccccc1O ZINC000079433199 174352769 /nfs/dbraw/zinc/35/27/69/174352769.db2.gz BHZNDRYRPGITEH-UHFFFAOYSA-N 1 1 239.315 1.487 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H](C)O)c1 ZINC000130695219 175157828 /nfs/dbraw/zinc/15/78/28/175157828.db2.gz NTARVJUBXJIWQJ-VIFPVBQESA-N 1 1 225.288 1.213 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)CCCCO)c1 ZINC000276727845 175158036 /nfs/dbraw/zinc/15/80/36/175158036.db2.gz XLSLGZNNTVPQFL-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO COc1cccc(C[N@@H+](C)C2CC2)c1O ZINC000153783838 175253510 /nfs/dbraw/zinc/25/35/10/175253510.db2.gz WVXRLUYWEUWAIE-UHFFFAOYSA-N 1 1 207.273 1.995 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC000180195007 175260469 /nfs/dbraw/zinc/26/04/69/175260469.db2.gz DFIZANLURKSGNK-CYBMUJFWSA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N)cc1 ZINC000035782509 177263924 /nfs/dbraw/zinc/26/39/24/177263924.db2.gz VEUCBBYBKGZDDZ-MNOVXSKESA-N 1 1 220.316 1.878 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(C)cc1O ZINC000877556242 583328711 /nfs/dbraw/zinc/32/87/11/583328711.db2.gz NGAJAOCJGOMDPC-GFCCVEGCSA-N 1 1 223.316 1.903 20 10 BDCDMO CNC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000854233097 588781496 /nfs/dbraw/zinc/78/14/96/588781496.db2.gz XMEXQAOZVZJPAM-WDEREUQCSA-N 1 1 222.332 1.959 20 10 BDCDMO CNC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000854232470 588781549 /nfs/dbraw/zinc/78/15/49/588781549.db2.gz QUBXYVCTTFBWAG-KOLCDFICSA-N 1 1 220.316 1.577 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000300044331 582483408 /nfs/dbraw/zinc/48/34/08/582483408.db2.gz BJRIDLNRQGBHAX-LLVKDONJSA-N 1 1 207.273 1.613 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840955297 583183351 /nfs/dbraw/zinc/18/33/51/583183351.db2.gz UDWLSMNUDZHUPN-LLVKDONJSA-N 1 1 225.263 1.563 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000840955297 583183353 /nfs/dbraw/zinc/18/33/53/583183353.db2.gz UDWLSMNUDZHUPN-LLVKDONJSA-N 1 1 225.263 1.563 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1CO ZINC000857061321 588884640 /nfs/dbraw/zinc/88/46/40/588884640.db2.gz OIGGLOUYIHGJDY-YPMHNXCESA-N 1 1 235.327 1.843 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000814172968 583342905 /nfs/dbraw/zinc/34/29/05/583342905.db2.gz DSNRVZHRZRPGMR-JSGCOSHPSA-N 1 1 246.354 1.837 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788269451 583600142 /nfs/dbraw/zinc/60/01/42/583600142.db2.gz NRVMJFHJCGSIIE-MWLCHTKSSA-N 1 1 237.299 1.356 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1OC ZINC000895558958 583691267 /nfs/dbraw/zinc/69/12/67/583691267.db2.gz MOASIBAAAWOHQR-PHIMTYICSA-N 1 1 249.310 1.861 20 10 BDCDMO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CO1 ZINC000896637140 583819061 /nfs/dbraw/zinc/81/90/61/583819061.db2.gz IBZFBIHRLWRWGX-RKDXNWHRSA-N 1 1 225.263 1.798 20 10 BDCDMO Cc1n[nH]cc1C[NH2+]Cc1c(O)cccc1F ZINC000896639209 583819916 /nfs/dbraw/zinc/81/99/16/583819916.db2.gz BAUMINKFQQBCSV-UHFFFAOYSA-N 1 1 235.262 1.853 20 10 BDCDMO Cn1cncc1C[NH2+]Cc1c(O)cccc1F ZINC000896639784 583820405 /nfs/dbraw/zinc/82/04/05/583820405.db2.gz GRYAZVYIYSPGPQ-UHFFFAOYSA-N 1 1 235.262 1.555 20 10 BDCDMO CC[N@@H+](CCC(N)=O)Cc1c(C)cccc1O ZINC000896710273 583825467 /nfs/dbraw/zinc/82/54/67/583825467.db2.gz NCPLLWVSMUFSMP-UHFFFAOYSA-N 1 1 236.315 1.398 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1O ZINC000897675627 584035532 /nfs/dbraw/zinc/03/55/32/584035532.db2.gz AXLIZIICRFTAPO-HQJQHLMTSA-N 1 1 243.253 1.483 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1O ZINC000897675627 584035533 /nfs/dbraw/zinc/03/55/33/584035533.db2.gz AXLIZIICRFTAPO-HQJQHLMTSA-N 1 1 243.253 1.483 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897684685 584040518 /nfs/dbraw/zinc/04/05/18/584040518.db2.gz VDMZRTZDZTXBSP-SKDRFNHKSA-N 1 1 237.299 1.213 20 10 BDCDMO CC(C)C[C@@H](N)C[NH2+]CCc1ccc(N)cc1 ZINC000841037873 584081149 /nfs/dbraw/zinc/08/11/49/584081149.db2.gz CQHDNMUNQXCDQL-CQSZACIVSA-N 1 1 235.375 1.774 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898194251 584096044 /nfs/dbraw/zinc/09/60/44/584096044.db2.gz WSJKCZPCVUTXHF-DGCLKSJQSA-N 1 1 239.290 1.605 20 10 BDCDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000904405449 584878705 /nfs/dbraw/zinc/87/87/05/584878705.db2.gz JANPNSPCACDTTR-JTQLQIEISA-N 1 1 238.306 1.702 20 10 BDCDMO CC[C@@H](N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817980647 584994502 /nfs/dbraw/zinc/99/45/02/584994502.db2.gz WFAXKQLJADDYJS-MNOVXSKESA-N 1 1 220.316 1.706 20 10 BDCDMO COCCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000769138839 585549703 /nfs/dbraw/zinc/54/97/03/585549703.db2.gz AWGQUXGQVVOBJK-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO COc1cccc(O)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770396042 585573888 /nfs/dbraw/zinc/57/38/88/585573888.db2.gz YEDGDTPMKQPWST-GHMZBOCLSA-N 1 1 248.326 1.052 20 10 BDCDMO COc1ccc(O)c(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000775691046 585683191 /nfs/dbraw/zinc/68/31/91/585683191.db2.gz KYNFHBIMBFAYOZ-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000775691046 585683192 /nfs/dbraw/zinc/68/31/92/585683192.db2.gz KYNFHBIMBFAYOZ-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000775700265 585683526 /nfs/dbraw/zinc/68/35/26/585683526.db2.gz LYPIZXKVYHKXHC-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000783740114 585841676 /nfs/dbraw/zinc/84/16/76/585841676.db2.gz JDLWQTDMQBYNBL-DZGCQCFKSA-N 1 1 246.354 1.567 20 10 BDCDMO CCn1ncnc1C[NH2+][C@H](C)c1ccccc1O ZINC000785773583 585880374 /nfs/dbraw/zinc/88/03/74/585880374.db2.gz DYLPEUDWCJIMEV-SNVBAGLBSA-N 1 1 246.314 1.854 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000788266964 585920094 /nfs/dbraw/zinc/92/00/94/585920094.db2.gz DLEGAVLLHHKIBJ-BXUZGUMPSA-N 1 1 234.343 1.708 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788266906 585920196 /nfs/dbraw/zinc/92/01/96/585920196.db2.gz CXUXWLXMQHACHS-JQWIXIFHSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1C ZINC000788271148 585920660 /nfs/dbraw/zinc/92/06/60/585920660.db2.gz ZFINUBFKVCKIBR-AAEUAGOBSA-N 1 1 235.327 1.964 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751778 586517454 /nfs/dbraw/zinc/51/74/54/586517454.db2.gz KGFPMAQVECMUKO-CQSZACIVSA-N 1 1 235.327 1.903 20 10 BDCDMO CCNCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817951987 586847632 /nfs/dbraw/zinc/84/76/32/586847632.db2.gz MMTDSDPECMJLBH-NSHDSACASA-N 1 1 222.332 1.961 20 10 BDCDMO Cc1ccc([C@H](C)NCC(F)(F)C[NH3+])c(O)c1 ZINC000817966259 586855468 /nfs/dbraw/zinc/85/54/68/586855468.db2.gz JTDKPHLMQSGJRD-VIFPVBQESA-N 1 1 244.285 1.945 20 10 BDCDMO C[C@H](NC[C@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965969 586855679 /nfs/dbraw/zinc/85/56/79/586855679.db2.gz XSUNLGJHIFGGPC-UFBFGSQYSA-N 1 1 238.306 1.919 20 10 BDCDMO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N)c(O)c1 ZINC000817972749 586859718 /nfs/dbraw/zinc/85/97/18/586859718.db2.gz OHQSCDVPTLQXCD-ZJUUUORDSA-N 1 1 208.305 1.698 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000817977105 586860057 /nfs/dbraw/zinc/86/00/57/586860057.db2.gz BIKYSOBCTZOOGZ-UTLUCORTSA-N 1 1 238.331 1.787 20 10 BDCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000817977105 586860060 /nfs/dbraw/zinc/86/00/60/586860060.db2.gz BIKYSOBCTZOOGZ-UTLUCORTSA-N 1 1 238.331 1.787 20 10 BDCDMO COc1ccc(O)c([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978193 586861508 /nfs/dbraw/zinc/86/15/08/586861508.db2.gz XYIVZXFHGNSNBC-XFOOOJQKSA-N 1 1 248.326 1.269 20 10 BDCDMO C[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1O ZINC000821390930 587116235 /nfs/dbraw/zinc/11/62/35/587116235.db2.gz FYUMQBVBOPXJAQ-LLVKDONJSA-N 1 1 248.326 1.350 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1O ZINC000825315437 587314801 /nfs/dbraw/zinc/31/48/01/587314801.db2.gz AIHNEIBMDTYFCY-MFKMUULPSA-N 1 1 235.327 1.903 20 10 BDCDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1O ZINC000827936827 587410846 /nfs/dbraw/zinc/41/08/46/587410846.db2.gz DARVTNUONIKZOJ-PWSUYJOCSA-N 1 1 248.326 1.664 20 10 BDCDMO Cc1cccc(C[NH2+]C[C@H]2CCCCN2)c1O ZINC000841033622 587937059 /nfs/dbraw/zinc/93/70/59/587937059.db2.gz YCLKGVALSPZMEM-CYBMUJFWSA-N 1 1 234.343 1.932 20 10 BDCDMO C[NH2+]CCCNCc1ccc(N(C)C)cc1C ZINC000841041428 587938293 /nfs/dbraw/zinc/93/82/93/587938293.db2.gz FYRQVJZMSILBAG-UHFFFAOYSA-N 1 1 235.375 1.760 20 10 BDCDMO Cc1cc(O)c(C[NH2+][C@H]2CCCNC2)cc1C ZINC000841041657 587938515 /nfs/dbraw/zinc/93/85/15/587938515.db2.gz CWECPXMCTCPBJO-ZDUSSCGKSA-N 1 1 234.343 1.851 20 10 BDCDMO Oc1c(Cl)cccc1CN[C@@H]1CC[NH2+]C1 ZINC000841044219 587938936 /nfs/dbraw/zinc/93/89/36/587938936.db2.gz BOAOGUSNEMZZIO-SECBINFHSA-N 1 1 226.707 1.497 20 10 BDCDMO COc1ccc(O)c(CNC[C@H]([NH3+])C2CC2)c1 ZINC000841048132 587939379 /nfs/dbraw/zinc/93/93/79/587939379.db2.gz BWEHSUKCJZRXDL-LBPRGKRZSA-N 1 1 236.315 1.228 20 10 BDCDMO C[C@H](CC[NH3+])[NH2+]Cc1c([O-])cccc1Cl ZINC000841052450 587939649 /nfs/dbraw/zinc/93/96/49/587939649.db2.gz XCYCCKJCYKHKGJ-MRVPVSSYSA-N 1 1 228.723 1.873 20 10 BDCDMO Cc1cc(O)c(C[NH2+]CC2(N)CCC2)cc1C ZINC000841051616 587939778 /nfs/dbraw/zinc/93/97/78/587939778.db2.gz RFRSRPSRQCETCU-UHFFFAOYSA-N 1 1 234.343 1.980 20 10 BDCDMO Cc1cc(O)c(CNCC2([NH3+])CCC2)cc1C ZINC000841051616 587939780 /nfs/dbraw/zinc/93/97/80/587939780.db2.gz RFRSRPSRQCETCU-UHFFFAOYSA-N 1 1 234.343 1.980 20 10 BDCDMO [NH3+][C@H](CNCc1ccccc1O)C1CC1 ZINC000841050652 587939837 /nfs/dbraw/zinc/93/98/37/587939837.db2.gz RQGWAYCEVQBBLD-LLVKDONJSA-N 1 1 206.289 1.219 20 10 BDCDMO N[C@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000841050652 587939839 /nfs/dbraw/zinc/93/98/39/587939839.db2.gz RQGWAYCEVQBBLD-LLVKDONJSA-N 1 1 206.289 1.219 20 10 BDCDMO CCN[C@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000841064873 587941748 /nfs/dbraw/zinc/94/17/48/587941748.db2.gz DEZQXOCNTCDDJO-LLVKDONJSA-N 1 1 222.332 1.788 20 10 BDCDMO CC[C@@H](N)C[NH2+]Cc1cc(C)ccc1O ZINC000841072288 587943840 /nfs/dbraw/zinc/94/38/40/587943840.db2.gz NLGKSRGEWQLZCV-LLVKDONJSA-N 1 1 208.305 1.528 20 10 BDCDMO CC[C@@H]([NH3+])CNCc1cc(C)ccc1O ZINC000841072288 587943841 /nfs/dbraw/zinc/94/38/41/587943841.db2.gz NLGKSRGEWQLZCV-LLVKDONJSA-N 1 1 208.305 1.528 20 10 BDCDMO Cc1ccc(O)c(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000841077402 587944844 /nfs/dbraw/zinc/94/48/44/587944844.db2.gz AQWDMKUHLIUVEU-RYUDHWBXSA-N 1 1 238.306 1.490 20 10 BDCDMO CCOc1ccc(CN[C@@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000841078646 587944936 /nfs/dbraw/zinc/94/49/36/587944936.db2.gz GNVWEEQIQCRZJC-UWVGGRQHSA-N 1 1 238.331 1.616 20 10 BDCDMO CCOc1ccc(O)c(CN[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841080769 587944967 /nfs/dbraw/zinc/94/49/67/587944967.db2.gz QHSHZOVPKPUGJE-ZJUUUORDSA-N 1 1 238.331 1.616 20 10 BDCDMO CCOc1ccc(O)c(CN[C@H](C)[C@H](C)[NH3+])c1 ZINC000841080765 587944976 /nfs/dbraw/zinc/94/49/76/587944976.db2.gz QHSHZOVPKPUGJE-VHSXEESVSA-N 1 1 238.331 1.616 20 10 BDCDMO [NH3+][C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843044496 588076147 /nfs/dbraw/zinc/07/61/47/588076147.db2.gz DZBJHNDGBSPLKC-SSDOTTSWSA-N 1 1 244.697 1.718 20 10 BDCDMO C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843053366 588076862 /nfs/dbraw/zinc/07/68/62/588076862.db2.gz XZYFYXWZAICXCT-SNVBAGLBSA-N 1 1 238.306 1.573 20 10 BDCDMO Cc1cccc(C[NH+]2C[C@H](C)N[C@@H](C)C2)c1O ZINC000843049753 588076873 /nfs/dbraw/zinc/07/68/73/588076873.db2.gz VPZGBYUJKJGTEB-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO C[NH2+]CCN(C)Cc1cc(Cl)cc(F)c1O ZINC000843057491 588077493 /nfs/dbraw/zinc/07/74/93/588077493.db2.gz PHAQHKSLKBQSCY-UHFFFAOYSA-N 1 1 246.713 1.836 20 10 BDCDMO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(F)cc1O ZINC000846209239 588260219 /nfs/dbraw/zinc/26/02/19/588260219.db2.gz PSFJOTYKKADFFM-SCZZXKLOSA-N 1 1 245.269 1.902 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873216545 589998141 /nfs/dbraw/zinc/99/81/41/589998141.db2.gz QEJHFQGAHXODOZ-GXSJLCMTSA-N 1 1 238.306 1.558 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC000876510936 590205657 /nfs/dbraw/zinc/20/56/57/590205657.db2.gz SCKRCXHLHAXDNM-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO Cc1ccc(CN2CCC[N@@H+](C)CC2)c(O)c1 ZINC000876510936 590205658 /nfs/dbraw/zinc/20/56/58/590205658.db2.gz SCKRCXHLHAXDNM-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO Cc1ccc(CN2CCC[N@H+](C)CC2)c(O)c1 ZINC000876510936 590205660 /nfs/dbraw/zinc/20/56/60/590205660.db2.gz SCKRCXHLHAXDNM-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876594912 590219645 /nfs/dbraw/zinc/21/96/45/590219645.db2.gz TXJZDMDYSAJRAT-GFCCVEGCSA-N 1 1 249.310 1.696 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(O)c1 ZINC000877463999 590333089 /nfs/dbraw/zinc/33/30/89/590333089.db2.gz IETOMNYOXFVPCQ-AAEUAGOBSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC000877468072 590333442 /nfs/dbraw/zinc/33/34/42/590333442.db2.gz YCMCPUSIMCDOAG-ZYHUDNBSSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(O)c1 ZINC000877546959 590352680 /nfs/dbraw/zinc/35/26/80/590352680.db2.gz WCYMUEUAFBNMQS-ITGUQSILSA-N 1 1 233.311 1.371 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC000877546504 590353245 /nfs/dbraw/zinc/35/32/45/590353245.db2.gz RMDKFRGGFOAKLG-WCQYABFASA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC000877546504 590353248 /nfs/dbraw/zinc/35/32/48/590353248.db2.gz RMDKFRGGFOAKLG-WCQYABFASA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c(O)c1 ZINC000877571828 590363200 /nfs/dbraw/zinc/36/32/00/590363200.db2.gz KHXMEHDKOBKBDM-ZYHUDNBSSA-N 1 1 221.300 1.656 20 10 BDCDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877614964 590375116 /nfs/dbraw/zinc/37/51/16/590375116.db2.gz KURHVEYOEZASST-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO COc1cccc(O)c1C[NH2+]Cc1ncc[nH]1 ZINC000877674901 590390432 /nfs/dbraw/zinc/39/04/32/590390432.db2.gz WQTDEUHXNXWUSR-UHFFFAOYSA-N 1 1 233.271 1.414 20 10 BDCDMO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nnnn1C ZINC000879649484 590842459 /nfs/dbraw/zinc/84/24/59/590842459.db2.gz UMHUCJBMZLQTHT-RKDXNWHRSA-N 1 1 247.302 1.328 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nnnn1C ZINC000879650864 590843590 /nfs/dbraw/zinc/84/35/90/590843590.db2.gz UMHUCJBMZLQTHT-DTWKUNHWSA-N 1 1 247.302 1.328 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880418545 591027213 /nfs/dbraw/zinc/02/72/13/591027213.db2.gz CBBWEHPFQATLOC-ZFWWWQNUSA-N 1 1 246.354 1.709 20 10 BDCDMO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886543170 592255210 /nfs/dbraw/zinc/25/52/10/592255210.db2.gz LIVPPSBYLVVUBP-SFYZADRCSA-N 1 1 240.278 1.446 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1c(O)cccc1F ZINC000886644367 592285944 /nfs/dbraw/zinc/28/59/44/592285944.db2.gz BITZESXYLVYLSK-BBBLOLIVSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1c(O)cccc1F ZINC000886639538 592285956 /nfs/dbraw/zinc/28/59/56/592285956.db2.gz FVEWUDVJLUXPCT-IWSPIJDZSA-N 1 1 225.263 1.705 20 10 BDCDMO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c(O)cccc1F ZINC000886650640 592288713 /nfs/dbraw/zinc/28/87/13/592288713.db2.gz ZZHAMMLOZKIRTP-GUBZILKMSA-N 1 1 239.290 1.953 20 10 BDCDMO Oc1ccccc1C[NH2+]C[C@@H]1CCCCN1 ZINC000236564371 635601831 /nfs/dbraw/zinc/60/18/31/635601831.db2.gz IXSDPYCEWSQMMZ-LBPRGKRZSA-N 1 1 220.316 1.624 20 10 BDCDMO C[NH+](C)C1(C(=O)Nc2ccc(N)cc2)CC1 ZINC000911659541 639692242 /nfs/dbraw/zinc/69/22/42/639692242.db2.gz BRJZTATXPHZJDA-UHFFFAOYSA-N 1 1 219.288 1.302 20 10 BDCDMO C[N@H+](C[C@@H]1CCOC1)c1ccc(N)cc1 ZINC000058478078 640710960 /nfs/dbraw/zinc/71/09/60/640710960.db2.gz ULBXWULEMZBLLM-JTQLQIEISA-N 1 1 206.289 1.742 20 10 BDCDMO C[N@@H+](C[C@@H]1CCOC1)c1ccc(N)cc1 ZINC000058478078 640710971 /nfs/dbraw/zinc/71/09/71/640710971.db2.gz ULBXWULEMZBLLM-JTQLQIEISA-N 1 1 206.289 1.742 20 10 BDCDMO CC(C)n1ncnc1C[NH2+]Cc1ccccc1O ZINC000228413873 640874127 /nfs/dbraw/zinc/87/41/27/640874127.db2.gz WVTSJPUARQAZHS-UHFFFAOYSA-N 1 1 246.314 1.854 20 10 BDCDMO Cn1ccc(CC[NH2+]Cc2cccc(F)c2O)n1 ZINC000230943515 641118754 /nfs/dbraw/zinc/11/87/54/641118754.db2.gz VPIFDPFEHHSFJX-UHFFFAOYSA-N 1 1 249.289 1.597 20 10 BDCDMO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)on1 ZINC000231882796 641211809 /nfs/dbraw/zinc/21/18/09/641211809.db2.gz IIMPFTNWDHQEFE-UHFFFAOYSA-N 1 1 230.267 1.899 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000070075568 642417242 /nfs/dbraw/zinc/41/72/42/642417242.db2.gz CUGTXCUNGVNVJU-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000070075568 642417245 /nfs/dbraw/zinc/41/72/45/642417245.db2.gz CUGTXCUNGVNVJU-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@@H]1CN ZINC000070175710 642985958 /nfs/dbraw/zinc/98/59/58/642985958.db2.gz YSGNHAYMMQYRNB-DGCLKSJQSA-N 1 1 234.343 1.951 20 10 BDCDMO COc1ccc(O)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320617 644588974 /nfs/dbraw/zinc/58/89/74/644588974.db2.gz RFQOEOYBWYALQB-TXEJJXNPSA-N 1 1 248.326 1.052 20 10 BDCDMO CC(=O)NCC[N@H+](C)Cc1c(C)cccc1O ZINC000877606377 645800874 /nfs/dbraw/zinc/80/08/74/645800874.db2.gz ZHFOHQVXGNAKNY-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1nnc(CC[N@H+](C)Cc2ccccc2O)o1 ZINC000929975915 646382910 /nfs/dbraw/zinc/38/29/10/646382910.db2.gz KHUPUKQYLIBIIZ-UHFFFAOYSA-N 1 1 247.298 1.758 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(F)cc1O ZINC000378756497 712360430 /nfs/dbraw/zinc/36/04/30/712360430.db2.gz YIZZDUWLVBWXQE-WHGOUJPWSA-N 1 1 225.263 1.705 20 10 BDCDMO Cc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000381309960 710620527 /nfs/dbraw/zinc/62/05/27/710620527.db2.gz CSJMYALGJNEVFZ-OCCSQVGLSA-N 1 1 246.354 1.884 20 10 BDCDMO C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708389559 712191649 /nfs/dbraw/zinc/19/16/49/712191649.db2.gz LTAFLWBOIUDUQJ-LURJTMIESA-N 1 1 217.215 1.141 20 10 BDCDMO CO[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708393266 712192190 /nfs/dbraw/zinc/19/21/90/712192190.db2.gz AUEKEUBXOFPTKQ-SSDOTTSWSA-N 1 1 231.242 1.795 20 10 BDCDMO CCOCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708437238 712194772 /nfs/dbraw/zinc/19/47/72/712194772.db2.gz QEOJWEFKSDKAGT-UHFFFAOYSA-N 1 1 231.242 1.797 20 10 BDCDMO CC(C)[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487031 712211224 /nfs/dbraw/zinc/21/12/24/712211224.db2.gz VEQRELWMXVOQJQ-LLVKDONJSA-N 1 1 245.269 1.777 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001140948094 960745384 /nfs/dbraw/zinc/74/53/84/960745384.db2.gz SJJDTYOUZLWKSE-CMPLNLGQSA-N 1 1 225.263 1.215 20 10 BDCDMO COCC[N@H+]1CCc2cccc(O)c2C1 ZINC001209211176 969402814 /nfs/dbraw/zinc/40/28/14/969402814.db2.gz MJCGFQUKTDIKSX-UHFFFAOYSA-N 1 1 207.273 1.397 20 10 BDCDMO C[C@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499426 972846420 /nfs/dbraw/zinc/84/64/20/972846420.db2.gz GJCPDJIZOWDQCQ-QMMMGPOBSA-N 1 1 223.272 1.788 20 10 BDCDMO C[N@H+](Cc1ccc(N)cc1)C[C@H]1CCCO1 ZINC000032013723 957659070 /nfs/dbraw/zinc/65/90/70/957659070.db2.gz MCRZRQSLYRAHHF-CYBMUJFWSA-N 1 1 220.316 1.880 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001140622980 959217183 /nfs/dbraw/zinc/21/71/83/959217183.db2.gz KCRZWCQECQIMED-TXEJJXNPSA-N 1 1 219.284 1.674 20 10 BDCDMO C[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@H]1C[NH3+] ZINC000708887428 960078774 /nfs/dbraw/zinc/07/87/74/960078774.db2.gz FGHXRQZRYOIYEW-GXSJLCMTSA-N 1 1 236.315 1.124 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1F ZINC001140617051 960458517 /nfs/dbraw/zinc/45/85/17/960458517.db2.gz BAQUVRDCYLKWDR-AAEUAGOBSA-N 1 1 239.290 1.869 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001140617507 960462157 /nfs/dbraw/zinc/46/21/57/960462157.db2.gz RUXSVCZKMHJNIZ-YPMHNXCESA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1 ZINC001140617725 960462719 /nfs/dbraw/zinc/46/27/19/960462719.db2.gz ZGLDHRDJYHETIY-NEPJUHHUSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2CO)c1O ZINC001140744515 960543372 /nfs/dbraw/zinc/54/33/72/960543372.db2.gz ZZRBNTYXUHWTAE-NSHDSACASA-N 1 1 237.299 1.363 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC001140744111 960545373 /nfs/dbraw/zinc/54/53/73/960545373.db2.gz MGQYIJCUOMDFQF-SECBINFHSA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCO[C@H](C)C2)c1O ZINC001140744111 960545380 /nfs/dbraw/zinc/54/53/80/960545380.db2.gz MGQYIJCUOMDFQF-SECBINFHSA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+](C)CCF)c1O ZINC001140751322 960548674 /nfs/dbraw/zinc/54/86/74/960548674.db2.gz SAHOOEBEXUIQSM-UHFFFAOYSA-N 1 1 213.252 1.808 20 10 BDCDMO Cc1ccc(C[N@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001140953838 960754876 /nfs/dbraw/zinc/75/48/76/960754876.db2.gz HQAOPWDYKLODAH-CYBMUJFWSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001140953838 960754894 /nfs/dbraw/zinc/75/48/94/960754894.db2.gz HQAOPWDYKLODAH-CYBMUJFWSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(CN2CC[N@H+]3CC[C@@H]3C2)c(O)c1 ZINC001140953838 960754902 /nfs/dbraw/zinc/75/49/02/960754902.db2.gz HQAOPWDYKLODAH-CYBMUJFWSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001140950646 960762299 /nfs/dbraw/zinc/76/22/99/960762299.db2.gz AIYMQPHSUJXBHR-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001140950728 960763256 /nfs/dbraw/zinc/76/32/56/960763256.db2.gz FVDCVJVVGZYUFG-RYUDHWBXSA-N 1 1 219.284 1.674 20 10 BDCDMO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156135 960891172 /nfs/dbraw/zinc/89/11/72/960891172.db2.gz GBSKVJRWQXVMNZ-UWVGGRQHSA-N 1 1 241.262 1.003 20 10 BDCDMO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(O)ccc1O ZINC001141156135 960891173 /nfs/dbraw/zinc/89/11/73/960891173.db2.gz GBSKVJRWQXVMNZ-UWVGGRQHSA-N 1 1 241.262 1.003 20 10 BDCDMO C[C@@]1(O)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156303 960891231 /nfs/dbraw/zinc/89/12/31/960891231.db2.gz JCKJZSJQEAZDKD-GFCCVEGCSA-N 1 1 223.272 1.055 20 10 BDCDMO CC[N@@H+](CCOC)Cc1cc(O)ccc1O ZINC001141156422 960892824 /nfs/dbraw/zinc/89/28/24/960892824.db2.gz XGWINIMPDDFBKG-UHFFFAOYSA-N 1 1 225.288 1.566 20 10 BDCDMO CC[N@H+](Cc1cc(O)ccc1O)C1COC1 ZINC001141159356 960896133 /nfs/dbraw/zinc/89/61/33/960896133.db2.gz FPOZITZDHLSYMY-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO CC[N@@H+](Cc1cc(O)ccc1O)C1COC1 ZINC001141159356 960896141 /nfs/dbraw/zinc/89/61/41/960896141.db2.gz FPOZITZDHLSYMY-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1F ZINC001141156878 960897168 /nfs/dbraw/zinc/89/71/68/960897168.db2.gz WDFBMCPWGKUYKR-KCJUWKMLSA-N 1 1 225.263 1.888 20 10 BDCDMO Nc1nc(NCc2ccc(O)c(O)c2)cc[nH+]1 ZINC001158997251 963968399 /nfs/dbraw/zinc/96/83/99/963968399.db2.gz AQQSEIKXRCHKBN-UHFFFAOYSA-N 1 1 232.243 1.082 20 10 BDCDMO Cc1cccc(O)c1CN1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991066 966208939 /nfs/dbraw/zinc/20/89/39/966208939.db2.gz NYJHRYPOFMSKBR-RISCZKNCSA-N 1 1 232.327 1.624 20 10 BDCDMO O=C1CC[N@@H+](Cc2ccccc2O)CC[C@H]1F ZINC001203550231 966670607 /nfs/dbraw/zinc/67/06/07/966670607.db2.gz NGVWDMFLUGYASB-LLVKDONJSA-N 1 1 237.274 1.895 20 10 BDCDMO C[C@H]1C[N@H+](Cc2ccccc2O)CCC1=O ZINC001203550291 966685137 /nfs/dbraw/zinc/68/51/37/966685137.db2.gz QFBHSQPJLCHDLK-JTQLQIEISA-N 1 1 219.284 1.803 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCC1=O ZINC001203550291 966685151 /nfs/dbraw/zinc/68/51/51/966685151.db2.gz QFBHSQPJLCHDLK-JTQLQIEISA-N 1 1 219.284 1.803 20 10 BDCDMO CN(C)C1(C)C[NH+](Cc2ccccc2O)C1 ZINC001203556080 966686415 /nfs/dbraw/zinc/68/64/15/966686415.db2.gz JYSMNQPLMMWYSD-UHFFFAOYSA-N 1 1 220.316 1.528 20 10 BDCDMO CC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203561386 966689954 /nfs/dbraw/zinc/68/99/54/966689954.db2.gz UDHQNHOXBDYAMH-NSHDSACASA-N 1 1 219.284 1.803 20 10 BDCDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1O ZINC001203563099 966690544 /nfs/dbraw/zinc/69/05/44/966690544.db2.gz VHYCQQQCDZUPPP-STQMWFEESA-N 1 1 232.327 1.671 20 10 BDCDMO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1O ZINC001203563099 966690549 /nfs/dbraw/zinc/69/05/49/966690549.db2.gz VHYCQQQCDZUPPP-STQMWFEESA-N 1 1 232.327 1.671 20 10 BDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1O ZINC001203563099 966690568 /nfs/dbraw/zinc/69/05/68/966690568.db2.gz VHYCQQQCDZUPPP-STQMWFEESA-N 1 1 232.327 1.671 20 10 BDCDMO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001203558321 966692909 /nfs/dbraw/zinc/69/29/09/966692909.db2.gz DNFSRACHHXMMBK-UKRRQHHQSA-N 1 1 246.354 1.776 20 10 BDCDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001203558321 966692917 /nfs/dbraw/zinc/69/29/17/966692917.db2.gz DNFSRACHHXMMBK-UKRRQHHQSA-N 1 1 246.354 1.776 20 10 BDCDMO COc1cccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c1O ZINC001203585533 966696252 /nfs/dbraw/zinc/69/62/52/966696252.db2.gz OVADIQWLPFMNCK-JTQLQIEISA-N 1 1 249.310 1.954 20 10 BDCDMO COc1cccc(C[N@H+]2CCC(=O)C[C@@H]2C)c1O ZINC001203585533 966696257 /nfs/dbraw/zinc/69/62/57/966696257.db2.gz OVADIQWLPFMNCK-JTQLQIEISA-N 1 1 249.310 1.954 20 10 BDCDMO COc1ccc(C[N@@H+](C)CC2COC2)c(O)c1 ZINC001203629325 966712778 /nfs/dbraw/zinc/71/27/78/966712778.db2.gz WHNAJECDGKRSSZ-UHFFFAOYSA-N 1 1 237.299 1.479 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)cc1O ZINC001203875162 966805069 /nfs/dbraw/zinc/80/50/69/966805069.db2.gz JHFLOMRJHHJNOR-ZWNOBZJWSA-N 1 1 235.283 1.461 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874628 966805481 /nfs/dbraw/zinc/80/54/81/966805481.db2.gz AUFWZXIOKNWFRP-SNVBAGLBSA-N 1 1 223.272 1.319 20 10 BDCDMO Oc1ccc(C[NH+]2CC3(C2)CCOC3)cc1O ZINC001203874397 966806457 /nfs/dbraw/zinc/80/64/57/966806457.db2.gz WAFWIONYMIGZGX-UHFFFAOYSA-N 1 1 235.283 1.320 20 10 BDCDMO C[N@H+](Cc1ccc(O)c(O)c1)C1(C)COC1 ZINC001203880858 966809516 /nfs/dbraw/zinc/80/95/16/966809516.db2.gz BOQJPWVCWVCDMX-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO C[N@@H+](Cc1ccc(O)c(O)c1)C1(C)COC1 ZINC001203880858 966809520 /nfs/dbraw/zinc/80/95/20/966809520.db2.gz BOQJPWVCWVCDMX-UHFFFAOYSA-N 1 1 223.272 1.319 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001204272010 966950581 /nfs/dbraw/zinc/95/05/81/966950581.db2.gz GQAZKYLDDPTKAV-PWSUYJOCSA-N 1 1 241.262 1.003 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(O)cc1O ZINC001204277226 966959727 /nfs/dbraw/zinc/95/97/27/966959727.db2.gz WTKUUFNAVSHNKK-SKDRFNHKSA-N 1 1 237.299 1.443 20 10 BDCDMO C[N@@H+](Cc1ccc(O)cc1O)[C@@H]1CCOC1 ZINC001204279088 966960319 /nfs/dbraw/zinc/96/03/19/966960319.db2.gz QBIFUIVYFIQJTQ-SNVBAGLBSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204279229 966961435 /nfs/dbraw/zinc/96/14/35/966961435.db2.gz SZCLOXURQFZWOZ-JOYOIKCWSA-N 1 1 237.299 1.443 20 10 BDCDMO COc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc(O)c1O ZINC001204347088 966976982 /nfs/dbraw/zinc/97/69/82/966976982.db2.gz MEBYVCSUSIBGLW-AOOOYVTPSA-N 1 1 235.283 1.558 20 10 BDCDMO COc1cc(C[NH+]2CC=CC2)cc(O)c1O ZINC001204341793 966977207 /nfs/dbraw/zinc/97/72/07/966977207.db2.gz GIWFJIHNPJDBRX-UHFFFAOYSA-N 1 1 221.256 1.478 20 10 BDCDMO [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001205101374 967347059 /nfs/dbraw/zinc/34/70/59/967347059.db2.gz DJCNHACERQIRLG-LLVKDONJSA-N 1 1 238.306 1.845 20 10 BDCDMO C[C@H]1COCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831869 967822934 /nfs/dbraw/zinc/82/29/34/967822934.db2.gz QNUXJJRDJUIUOD-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO C[C@H]1COCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831869 967822938 /nfs/dbraw/zinc/82/29/38/967822938.db2.gz QNUXJJRDJUIUOD-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO Cc1cccc(O)c1CN1CC(C)(C[NH3+])C1 ZINC001206738240 968451473 /nfs/dbraw/zinc/45/14/73/968451473.db2.gz XZPJUYYAIKGREZ-UHFFFAOYSA-N 1 1 220.316 1.481 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144520531 972852961 /nfs/dbraw/zinc/85/29/61/972852961.db2.gz TXJAUNNSLQZAJD-MRVPVSSYSA-N 1 1 239.271 1.024 20 10 BDCDMO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1CO ZINC001331532274 974751379 /nfs/dbraw/zinc/75/13/79/974751379.db2.gz UICNSRJYJCSGPB-JTQLQIEISA-N 1 1 243.253 1.627 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001331532274 974751389 /nfs/dbraw/zinc/75/13/89/974751389.db2.gz UICNSRJYJCSGPB-JTQLQIEISA-N 1 1 243.253 1.627 20 10 BDCDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(N)cc2)CCN1C ZINC001334754799 976623736 /nfs/dbraw/zinc/62/37/36/976623736.db2.gz RQPQKKMVWMTCRB-NEPJUHHUSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1[C@H](C)N(Cc2ccc(N)cc2)CC[N@H+]1C ZINC001334754799 976623743 /nfs/dbraw/zinc/62/37/43/976623743.db2.gz RQPQKKMVWMTCRB-NEPJUHHUSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1[C@H](C)N(Cc2ccc(N)cc2)CC[N@@H+]1C ZINC001334754799 976623747 /nfs/dbraw/zinc/62/37/47/976623747.db2.gz RQPQKKMVWMTCRB-NEPJUHHUSA-N 1 1 233.359 1.793 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1 ZINC001336285363 977615466 /nfs/dbraw/zinc/61/54/66/977615466.db2.gz KSLIYNFBLPPSSK-UHFFFAOYSA-N 1 1 243.314 1.266 20 10 BDCDMO Nc1ccc(C[N@H+]2CCCn3nncc3C2)cc1 ZINC001336285363 977615470 /nfs/dbraw/zinc/61/54/70/977615470.db2.gz KSLIYNFBLPPSSK-UHFFFAOYSA-N 1 1 243.314 1.266 20 10 BDCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N)cc1 ZINC001336286568 977618326 /nfs/dbraw/zinc/61/83/26/977618326.db2.gz SQRDVNMUGCWCBM-SNVBAGLBSA-N 1 1 236.315 1.510 20 10 BDCDMO COc1cc(C[N@@H+](C)C(C)C)c(O)cc1O ZINC001231634421 977652228 /nfs/dbraw/zinc/65/22/28/977652228.db2.gz MRRDRXBFXVNXAD-UHFFFAOYSA-N 1 1 225.288 1.947 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001231846776 977763409 /nfs/dbraw/zinc/76/34/09/977763409.db2.gz OWHQYDSJJZQBME-RYUDHWBXSA-N 1 1 233.311 1.982 20 10 BDCDMO CN(C)c1ccc(CN2CC[NH+](C)CC2)c(O)c1 ZINC001232835151 978307946 /nfs/dbraw/zinc/30/79/46/978307946.db2.gz XQEODNVVIITOBZ-UHFFFAOYSA-N 1 1 249.358 1.206 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009998 978404415 /nfs/dbraw/zinc/40/44/15/978404415.db2.gz GMNWZCUCUBEHPX-MRVPVSSYSA-N 1 1 223.272 1.645 20 10 BDCDMO C[N@@H+](CCO)Cc1ccc(C(F)(F)F)cc1O ZINC001236255530 979475618 /nfs/dbraw/zinc/47/56/18/979475618.db2.gz GUSMUZJHEBVNPV-UHFFFAOYSA-N 1 1 249.232 1.835 20 10 BDCDMO CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001236789650 979733144 /nfs/dbraw/zinc/73/31/44/979733144.db2.gz CTSNGONTGFUKKF-GXTWGEPZSA-N 1 1 233.311 1.928 20 10 BDCDMO CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001236789650 979733151 /nfs/dbraw/zinc/73/31/51/979733151.db2.gz CTSNGONTGFUKKF-GXTWGEPZSA-N 1 1 233.311 1.928 20 10 BDCDMO CCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001237042955 979808381 /nfs/dbraw/zinc/80/83/81/979808381.db2.gz LJSZAVVHSUURSW-BETUJISGSA-N 1 1 249.310 1.764 20 10 BDCDMO CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001237042955 979808382 /nfs/dbraw/zinc/80/83/82/979808382.db2.gz LJSZAVVHSUURSW-BETUJISGSA-N 1 1 249.310 1.764 20 10 BDCDMO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001183928065 979910508 /nfs/dbraw/zinc/91/05/08/979910508.db2.gz GFNPTXIECGFIMA-RDDDGLTNSA-N 1 1 243.253 1.795 20 10 BDCDMO [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001237809074 980061046 /nfs/dbraw/zinc/06/10/46/980061046.db2.gz ZACOTSBGMRNIIK-SECBINFHSA-N 1 1 245.681 1.751 20 10 BDCDMO Cc1cc(F)cc(C[N@@H+](C)CCN(C)C)c1O ZINC001238057500 980132586 /nfs/dbraw/zinc/13/25/86/980132586.db2.gz LAPUJUUFIVZGNO-UHFFFAOYSA-N 1 1 240.322 1.833 20 10 BDCDMO Cc1cc(F)cc(C[N@H+](C)CCN(C)C)c1O ZINC001238057500 980132588 /nfs/dbraw/zinc/13/25/88/980132588.db2.gz LAPUJUUFIVZGNO-UHFFFAOYSA-N 1 1 240.322 1.833 20 10 BDCDMO C[NH2+][C@H](C)CCNCc1c(O)cccc1OC ZINC001345100992 980548958 /nfs/dbraw/zinc/54/89/58/980548958.db2.gz YFZODANSUVBAFD-SNVBAGLBSA-N 1 1 238.331 1.488 20 10 BDCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001275821213 984666925 /nfs/dbraw/zinc/66/69/25/984666925.db2.gz KFEZQBXARCGXIC-NEPJUHHUSA-N 1 1 248.326 1.234 20 10 BDCDMO Cc1c(O)ccc(CN2CC3(CC[N@H+]3C)C2)c1O ZINC001276113426 984816368 /nfs/dbraw/zinc/81/63/68/984816368.db2.gz QICRSNLODMKTBE-UHFFFAOYSA-N 1 1 248.326 1.296 20 10 BDCDMO Cc1c(O)ccc(CN2CC3(CC[N@@H+]3C)C2)c1O ZINC001276113426 984816373 /nfs/dbraw/zinc/81/63/73/984816373.db2.gz QICRSNLODMKTBE-UHFFFAOYSA-N 1 1 248.326 1.296 20 10 BDCDMO COc1cc(C)cc(C[NH2+]C(C)(C)CN)c1O ZINC001579144866 985813523 /nfs/dbraw/zinc/81/35/23/985813523.db2.gz JWJRQIGMGQOADK-UHFFFAOYSA-N 1 1 238.331 1.536 20 10 BDCDMO COc1cc(C)cc(CNC(C)(C)C[NH3+])c1O ZINC001579144866 985813530 /nfs/dbraw/zinc/81/35/30/985813530.db2.gz JWJRQIGMGQOADK-UHFFFAOYSA-N 1 1 238.331 1.536 20 10 BDCDMO C[C@H](O)CC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001461956487 986239641 /nfs/dbraw/zinc/23/96/41/986239641.db2.gz RWRSCXNNVZHUCR-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@H](O)CC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001461956487 986239650 /nfs/dbraw/zinc/23/96/50/986239650.db2.gz RWRSCXNNVZHUCR-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@H](O)CC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001461956487 986239661 /nfs/dbraw/zinc/23/96/61/986239661.db2.gz RWRSCXNNVZHUCR-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CN1 ZINC001246239586 987638429 /nfs/dbraw/zinc/63/84/29/987638429.db2.gz KEMZZSIDPVQTKE-KOLCDFICSA-N 1 1 236.315 1.328 20 10 BDCDMO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2O)CO1 ZINC001474611568 987776950 /nfs/dbraw/zinc/77/69/50/987776950.db2.gz XSBGBTDMKZMBSD-CBAPKCEASA-N 1 1 243.253 1.937 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+][C@]12C[C@H]1COC2 ZINC001474710839 987804620 /nfs/dbraw/zinc/80/46/20/987804620.db2.gz JVVAFWUXTLLQGY-UFBFGSQYSA-N 1 1 241.237 1.549 20 10 BDCDMO C[C@H]1CC[C@@H](NCCc2ccc(N)cc2)C[NH2+]1 ZINC001246466938 987825921 /nfs/dbraw/zinc/82/59/21/987825921.db2.gz QVDMIOZEXSRKDE-SMDDNHRTSA-N 1 1 233.359 1.541 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC001118055197 987991752 /nfs/dbraw/zinc/99/17/52/987991752.db2.gz IOUBWKNEIBSWFU-ZDUSSCGKSA-N 1 1 237.274 1.896 20 10 BDCDMO Nc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC001120370956 989637957 /nfs/dbraw/zinc/63/79/57/989637957.db2.gz KZGFZNGIBQTFBG-GFCCVEGCSA-N 1 1 224.279 1.175 20 10 BDCDMO C[NH2+]C[C@@H](C)CNCc1ccc(N)cc1 ZINC001120371034 989642878 /nfs/dbraw/zinc/64/28/78/989642878.db2.gz NGIMHKQWVIGYKQ-SNVBAGLBSA-N 1 1 207.321 1.214 20 10 BDCDMO C[NH2+]C[C@H](C)CNCc1ccc(N)cc1 ZINC001120371033 989643171 /nfs/dbraw/zinc/64/31/71/989643171.db2.gz NGIMHKQWVIGYKQ-JTQLQIEISA-N 1 1 207.321 1.214 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001138130972 990886259 /nfs/dbraw/zinc/88/62/59/990886259.db2.gz MNOHOIUUXZOBMF-ZDUSSCGKSA-N 1 1 237.274 1.896 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001138130972 990886266 /nfs/dbraw/zinc/88/62/66/990886266.db2.gz MNOHOIUUXZOBMF-ZDUSSCGKSA-N 1 1 237.274 1.896 20 10 BDCDMO Oc1c(F)cccc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001138130942 990887329 /nfs/dbraw/zinc/88/73/29/990887329.db2.gz LYYWSJHBSDIOBA-NSHDSACASA-N 1 1 236.290 1.421 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001138130970 990887391 /nfs/dbraw/zinc/88/73/91/990887391.db2.gz MNOHOIUUXZOBMF-CYBMUJFWSA-N 1 1 237.274 1.896 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@]12CCOC2 ZINC001138130970 990887394 /nfs/dbraw/zinc/88/73/94/990887394.db2.gz MNOHOIUUXZOBMF-CYBMUJFWSA-N 1 1 237.274 1.896 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC(=O)N1 ZINC001202897643 991155519 /nfs/dbraw/zinc/15/55/19/991155519.db2.gz AXLGQPOHELPFOH-LLVKDONJSA-N 1 1 234.299 1.103 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001140057238 991511874 /nfs/dbraw/zinc/51/18/74/991511874.db2.gz CYYAJDICLZMSDH-LBPRGKRZSA-N 1 1 239.290 1.878 20 10 BDCDMO C[N@@H+](Cc1ccncn1)Cc1ccccc1O ZINC001140349507 991622624 /nfs/dbraw/zinc/62/26/24/991622624.db2.gz KUPCLIYYJJVGES-UHFFFAOYSA-N 1 1 229.283 1.814 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000092762962 345642448 /nfs/dbraw/zinc/64/24/48/345642448.db2.gz MKXNAWXBSGRZGY-ZDUSSCGKSA-N 1 1 234.343 1.567 20 10 BDCDMO Cc1cccc(C[N@@H+](CCO)C2CC2)c1O ZINC000132490260 179071064 /nfs/dbraw/zinc/07/10/64/179071064.db2.gz WFJBXDDMYLWAMQ-UHFFFAOYSA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1cccc(C[N@@H+](C)CCOCCO)c1O ZINC000282842034 179066826 /nfs/dbraw/zinc/06/68/26/179066826.db2.gz VTPZGMQYJCTZKI-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1O ZINC000162807681 179080076 /nfs/dbraw/zinc/08/00/76/179080076.db2.gz XAMAMVMHGJJHTN-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)CO ZINC000293516794 353751842 /nfs/dbraw/zinc/75/18/42/353751842.db2.gz APZYSPPQZJMINS-JTQLQIEISA-N 1 1 209.289 1.595 20 10 BDCDMO OCC1([NH2+]Cc2cccc(F)c2O)CCC1 ZINC000163182512 183038394 /nfs/dbraw/zinc/03/83/94/183038394.db2.gz DIXSRXJABGNEPN-UHFFFAOYSA-N 1 1 225.263 1.536 20 10 BDCDMO OCC[N@H+](Cc1cccc(F)c1O)C1CCC1 ZINC000275913048 183069426 /nfs/dbraw/zinc/06/94/26/183069426.db2.gz FRGNWVVJHHTYNN-UHFFFAOYSA-N 1 1 239.290 1.878 20 10 BDCDMO OCC[N@@H+](Cc1cccc(F)c1O)C1CCC1 ZINC000275913048 183069427 /nfs/dbraw/zinc/06/94/27/183069427.db2.gz FRGNWVVJHHTYNN-UHFFFAOYSA-N 1 1 239.290 1.878 20 10 BDCDMO OC[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000378502383 183115977 /nfs/dbraw/zinc/11/59/77/183115977.db2.gz YMCFTSZJVCZBGC-GFCCVEGCSA-N 1 1 235.327 1.987 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179912061 183151017 /nfs/dbraw/zinc/15/10/17/183151017.db2.gz XBIMAHYLASNODZ-LLVKDONJSA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000128551555 183153877 /nfs/dbraw/zinc/15/38/77/183153877.db2.gz AHJKDMGXUJONRF-JTQLQIEISA-N 1 1 207.273 1.206 20 10 BDCDMO CCC[N@@H+](CC(=O)NC)Cc1ccccc1O ZINC000076074194 169094593 /nfs/dbraw/zinc/09/45/93/169094593.db2.gz LMOJBFYGBSFMTA-UHFFFAOYSA-N 1 1 236.315 1.350 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368801167 183254801 /nfs/dbraw/zinc/25/48/01/183254801.db2.gz WNQVLHTWHZTBGD-NSHDSACASA-N 1 1 237.274 1.488 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368801167 183254802 /nfs/dbraw/zinc/25/48/02/183254802.db2.gz WNQVLHTWHZTBGD-NSHDSACASA-N 1 1 237.274 1.488 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367692264 183254661 /nfs/dbraw/zinc/25/46/61/183254661.db2.gz YVRKMAGJHKBBCF-RTCCRHLQSA-N 1 1 237.274 1.513 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369677020 183302123 /nfs/dbraw/zinc/30/21/23/183302123.db2.gz UXTNDGUCSCVWOD-AWEZNQCLSA-N 1 1 233.311 1.739 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCCCNC1=O ZINC000119948004 384318918 /nfs/dbraw/zinc/31/89/18/384318918.db2.gz ORHOMOHLUAKJJU-GFCCVEGCSA-N 1 1 248.326 1.493 20 10 BDCDMO CC[N@@H+](CCOC)Cc1cccc(OC)c1O ZINC000133267554 384282400 /nfs/dbraw/zinc/28/24/00/384282400.db2.gz DGUYDICOXWODME-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123511121 384564868 /nfs/dbraw/zinc/56/48/68/384564868.db2.gz RNRSQYCFBRMNHT-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123511121 384564874 /nfs/dbraw/zinc/56/48/74/384564874.db2.gz RNRSQYCFBRMNHT-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO CSC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000188058295 385006638 /nfs/dbraw/zinc/00/66/38/385006638.db2.gz PIDAIOCMMSKTKQ-LLVKDONJSA-N 1 1 241.356 1.548 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CC2(CO)CC2)cc1 ZINC000188960851 385108646 /nfs/dbraw/zinc/10/86/46/385108646.db2.gz GIVGNZKPKNVXFE-UHFFFAOYSA-N 1 1 248.370 1.957 20 10 BDCDMO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062745358 385183014 /nfs/dbraw/zinc/18/30/14/385183014.db2.gz MEXJYXHXBGGISL-SCZZXKLOSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(F)cc1O ZINC000062745810 385188481 /nfs/dbraw/zinc/18/84/81/385188481.db2.gz XANCXORUHDNVIG-JGVFFNPUSA-N 1 1 213.252 1.563 20 10 BDCDMO CC[C@@H](C(N)=O)[N@@H+](C)Cc1ccccc1O ZINC000109770434 385189955 /nfs/dbraw/zinc/18/99/55/385189955.db2.gz OLBXDVSSQBLNJF-JTQLQIEISA-N 1 1 222.288 1.088 20 10 BDCDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179569834 385473658 /nfs/dbraw/zinc/47/36/58/385473658.db2.gz LVEWURSJBJWBFU-ZDUSSCGKSA-N 1 1 248.326 1.349 20 10 BDCDMO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179582473 385475412 /nfs/dbraw/zinc/47/54/12/385475412.db2.gz KRJZDHBXPKSMSC-LBPRGKRZSA-N 1 1 248.326 1.493 20 10 BDCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000280895400 385614397 /nfs/dbraw/zinc/61/43/97/385614397.db2.gz PGXTZDQAQQVUDM-SNVBAGLBSA-N 1 1 237.299 1.694 20 10 BDCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1O ZINC000280895400 385614402 /nfs/dbraw/zinc/61/44/02/385614402.db2.gz PGXTZDQAQQVUDM-SNVBAGLBSA-N 1 1 237.299 1.694 20 10 BDCDMO CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1O ZINC000272236617 385885961 /nfs/dbraw/zinc/88/59/61/385885961.db2.gz ACBQUIQOPLKFSW-BXKDBHETSA-N 1 1 239.290 1.734 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1O ZINC000272236617 385885964 /nfs/dbraw/zinc/88/59/64/385885964.db2.gz ACBQUIQOPLKFSW-BXKDBHETSA-N 1 1 239.290 1.734 20 10 BDCDMO C[N@H+](CCCO)Cc1cc(Cl)c(F)cc1O ZINC000294615308 385874043 /nfs/dbraw/zinc/87/40/43/385874043.db2.gz IWDXGNJWGMKXCB-UHFFFAOYSA-N 1 1 247.697 1.999 20 10 BDCDMO C[N@@H+](CCCO)Cc1cc(Cl)c(F)cc1O ZINC000294615308 385874045 /nfs/dbraw/zinc/87/40/45/385874045.db2.gz IWDXGNJWGMKXCB-UHFFFAOYSA-N 1 1 247.697 1.999 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(F)cc1O ZINC000296109880 386710139 /nfs/dbraw/zinc/71/01/39/386710139.db2.gz ZLLODQRRYLWLAD-QNSHHTMESA-N 1 1 225.263 1.705 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)O)cc1 ZINC000269460121 386795256 /nfs/dbraw/zinc/79/52/56/386795256.db2.gz HQLDPDIZYGXIJU-UHFFFAOYSA-N 1 1 236.359 1.955 20 10 BDCDMO OCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293598738 386844967 /nfs/dbraw/zinc/84/49/67/386844967.db2.gz KXBZMFKFIGKOLN-UHFFFAOYSA-N 1 1 219.643 1.267 20 10 BDCDMO CC[C@H]([NH2+]C[C@@H](C)O)c1ccc(F)cc1O ZINC000285842140 387287183 /nfs/dbraw/zinc/28/71/83/387287183.db2.gz XKYSEVOQHSJKLN-KCJUWKMLSA-N 1 1 227.279 1.953 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000373513715 387377226 /nfs/dbraw/zinc/37/72/26/387377226.db2.gz DAOVGGNPFGABTI-CQSZACIVSA-N 1 1 246.354 1.709 20 10 BDCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1COC1 ZINC000527820665 387742971 /nfs/dbraw/zinc/74/29/71/387742971.db2.gz RDRQCWUWKSZDPC-UHFFFAOYSA-N 1 1 245.681 1.921 20 10 BDCDMO CN1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000116279490 173148309 /nfs/dbraw/zinc/14/83/09/173148309.db2.gz MMVAICGUUJDYGE-NSHDSACASA-N 1 1 234.299 1.055 20 10 BDCDMO C[C@@H]1COCC[N@@H+]1Cc1ccc(N)cc1 ZINC000035773405 176337881 /nfs/dbraw/zinc/33/78/81/176337881.db2.gz FCZVBLGUSQYADG-SNVBAGLBSA-N 1 1 206.289 1.490 20 10 BDCDMO C[C@@H]1COCC[N@H+]1Cc1ccc(N)cc1 ZINC000035773405 176337882 /nfs/dbraw/zinc/33/78/82/176337882.db2.gz FCZVBLGUSQYADG-SNVBAGLBSA-N 1 1 206.289 1.490 20 10 BDCDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272563948 177009728 /nfs/dbraw/zinc/00/97/28/177009728.db2.gz UPMMXWOCEMFTKH-VHSXEESVSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272563948 177009730 /nfs/dbraw/zinc/00/97/30/177009730.db2.gz UPMMXWOCEMFTKH-VHSXEESVSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1COCC[N@@H+](Cc2ccccc2O)C1 ZINC000369450279 177288441 /nfs/dbraw/zinc/28/84/41/177288441.db2.gz CJGUVPJQMVVUJQ-LLVKDONJSA-N 1 1 221.300 1.861 20 10 BDCDMO COc1cc(C)cc(C[NH2+]Cc2ccon2)c1O ZINC000894325834 583423467 /nfs/dbraw/zinc/42/34/67/583423467.db2.gz ZAAZDAHXGVRJTD-UHFFFAOYSA-N 1 1 248.282 1.987 20 10 BDCDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894539844 583480648 /nfs/dbraw/zinc/48/06/48/583480648.db2.gz XKDLVCKCFOPKHH-XVKPBYJWSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894539844 583480650 /nfs/dbraw/zinc/48/06/50/583480650.db2.gz XKDLVCKCFOPKHH-XVKPBYJWSA-N 1 1 243.253 1.626 20 10 BDCDMO COc1cc(C)cc(C[NH+]2CC(C)(O)C2)c1O ZINC000894977810 583563098 /nfs/dbraw/zinc/56/30/98/583563098.db2.gz XDRLTOAJVPZGBA-UHFFFAOYSA-N 1 1 237.299 1.276 20 10 BDCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895646591 583699061 /nfs/dbraw/zinc/69/90/61/583699061.db2.gz HKSLTJQFLDIBDL-BXKDBHETSA-N 1 1 239.702 1.612 20 10 BDCDMO CCOc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895647078 583699072 /nfs/dbraw/zinc/69/90/72/583699072.db2.gz JPOAANNJSGQUEF-BXUZGUMPSA-N 1 1 249.310 1.358 20 10 BDCDMO CO[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000895961832 583751133 /nfs/dbraw/zinc/75/11/33/583751133.db2.gz FNGBSBHYXDYFGZ-ZDUSSCGKSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000895961832 583751134 /nfs/dbraw/zinc/75/11/34/583751134.db2.gz FNGBSBHYXDYFGZ-ZDUSSCGKSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000895968196 583754600 /nfs/dbraw/zinc/75/46/00/583754600.db2.gz JLVXSDAOQPGYRC-GFCCVEGCSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000895968196 583754601 /nfs/dbraw/zinc/75/46/01/583754601.db2.gz JLVXSDAOQPGYRC-GFCCVEGCSA-N 1 1 237.299 1.505 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000897675611 584035214 /nfs/dbraw/zinc/03/52/14/584035214.db2.gz AUWIAENZJMZSSZ-GWCFXTLKSA-N 1 1 221.300 1.513 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897684684 584040480 /nfs/dbraw/zinc/04/04/80/584040480.db2.gz VDMZRTZDZTXBSP-JOYOIKCWSA-N 1 1 237.299 1.213 20 10 BDCDMO O=C1CCCN1C1C[NH+](Cc2ccccc2O)C1 ZINC000897785901 584048385 /nfs/dbraw/zinc/04/83/85/584048385.db2.gz BBLIRSGHJQARPX-UHFFFAOYSA-N 1 1 246.310 1.199 20 10 BDCDMO C[C@@H]([NH2+]CC1(N)CCC1)c1ccccc1O ZINC000817965576 584993276 /nfs/dbraw/zinc/99/32/76/584993276.db2.gz XWEYINIHASEUJJ-SNVBAGLBSA-N 1 1 220.316 1.924 20 10 BDCDMO CCOc1ccc(C[N@@H+](C)CCOC)c(O)c1 ZINC000768240771 585534320 /nfs/dbraw/zinc/53/43/20/585534320.db2.gz FMHVYTDQEQJSJN-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000768238382 585534524 /nfs/dbraw/zinc/53/45/24/585534524.db2.gz ZCIJCJORUUHJEV-LLVKDONJSA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465787 585539021 /nfs/dbraw/zinc/53/90/21/585539021.db2.gz LHKXTFYXLQIWMY-TVQRCGJNSA-N 1 1 249.310 1.802 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H](C)O ZINC000776521272 585700063 /nfs/dbraw/zinc/70/00/63/585700063.db2.gz OLDSYTPAMGMXSQ-SECBINFHSA-N 1 1 225.288 1.213 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783744652 585841832 /nfs/dbraw/zinc/84/18/32/585841832.db2.gz SXYJTZBFYABHGH-GXTWGEPZSA-N 1 1 233.311 1.515 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788266910 585920379 /nfs/dbraw/zinc/92/03/79/585920379.db2.gz CXUXWLXMQHACHS-ZYHUDNBSSA-N 1 1 221.300 1.656 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788270961 585920447 /nfs/dbraw/zinc/92/04/47/585920447.db2.gz XPABBELVVIWMFU-ONGXEEELSA-N 1 1 237.299 1.356 20 10 BDCDMO CC[C@@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000793820159 586026879 /nfs/dbraw/zinc/02/68/79/586026879.db2.gz KLLDDXKGDQJCTA-ZWNOBZJWSA-N 1 1 249.310 1.802 20 10 BDCDMO CC[C@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000793820155 586026948 /nfs/dbraw/zinc/02/69/48/586026948.db2.gz KLLDDXKGDQJCTA-GXFFZTMASA-N 1 1 249.310 1.802 20 10 BDCDMO COc1cccc(O)c1C[N@H+](C)C[C@H](C)OC ZINC000809717037 586514465 /nfs/dbraw/zinc/51/44/65/586514465.db2.gz CCTXCWNQQDZBCN-JTQLQIEISA-N 1 1 239.315 1.868 20 10 BDCDMO CN1C[C@H]2CC[N@@H+](Cc3ccccc3O)[C@H]2C1 ZINC000814172865 586615632 /nfs/dbraw/zinc/61/56/32/586615632.db2.gz BXRBGQLEWYADTF-YPMHNXCESA-N 1 1 232.327 1.528 20 10 BDCDMO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000817969217 586856758 /nfs/dbraw/zinc/85/67/58/586856758.db2.gz SDFDXCQHKTUGKH-RAIGVLPGSA-N 1 1 246.354 1.967 20 10 BDCDMO C[C@H](N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817971824 586859555 /nfs/dbraw/zinc/85/95/55/586859555.db2.gz HJPICKYIAZJNQD-WPRPVWTQSA-N 1 1 206.289 1.316 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000817977104 586860078 /nfs/dbraw/zinc/86/00/78/586860078.db2.gz BIKYSOBCTZOOGZ-GUBZILKMSA-N 1 1 238.331 1.787 20 10 BDCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000817977104 586860079 /nfs/dbraw/zinc/86/00/79/586860079.db2.gz BIKYSOBCTZOOGZ-GUBZILKMSA-N 1 1 238.331 1.787 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)O1 ZINC000821390905 587116143 /nfs/dbraw/zinc/11/61/43/587116143.db2.gz FRVUHOANXWLDGQ-NSHDSACASA-N 1 1 235.283 1.530 20 10 BDCDMO CN1CC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000824893111 587292120 /nfs/dbraw/zinc/29/21/20/587292120.db2.gz KGKVPNFOPYEGLX-YPMHNXCESA-N 1 1 232.327 1.528 20 10 BDCDMO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3O)C[C@@H]21 ZINC000824893111 587292121 /nfs/dbraw/zinc/29/21/21/587292121.db2.gz KGKVPNFOPYEGLX-YPMHNXCESA-N 1 1 232.327 1.528 20 10 BDCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccccc3O)C[C@@H]21 ZINC000824893111 587292123 /nfs/dbraw/zinc/29/21/23/587292123.db2.gz KGKVPNFOPYEGLX-YPMHNXCESA-N 1 1 232.327 1.528 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CCC2(COC2)C1 ZINC000827643006 587393793 /nfs/dbraw/zinc/39/37/93/587393793.db2.gz DNQFDSFPTRQEAD-UHFFFAOYSA-N 1 1 249.310 1.623 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840910701 587929288 /nfs/dbraw/zinc/92/92/88/587929288.db2.gz QDEGNNSHGQKUJO-VIFPVBQESA-N 1 1 241.718 1.921 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000840913556 587929755 /nfs/dbraw/zinc/92/97/55/587929755.db2.gz XSPNLACPAQNEEP-CYBMUJFWSA-N 1 1 248.370 1.875 20 10 BDCDMO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(Cl)c1O ZINC000841024986 587935285 /nfs/dbraw/zinc/93/52/85/587935285.db2.gz WGIOBFPXFFRXJC-LDYMZIIASA-N 1 1 240.734 1.967 20 10 BDCDMO Oc1c(F)cc(Cl)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841045288 587939267 /nfs/dbraw/zinc/93/92/67/587939267.db2.gz RTGQZJGWHHTFKJ-SECBINFHSA-N 1 1 244.697 1.636 20 10 BDCDMO COc1ccc(O)c(CN[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841076991 587944490 /nfs/dbraw/zinc/94/44/90/587944490.db2.gz VXYKDLPITNOBDF-BDAKNGLRSA-N 1 1 224.304 1.226 20 10 BDCDMO Cc1cc(N(C)C)ccc1CN(C)C1CC([NH3+])C1 ZINC000843124825 588083309 /nfs/dbraw/zinc/08/33/09/588083309.db2.gz ICGCMKQLTKAPHW-UHFFFAOYSA-N 1 1 247.386 1.983 20 10 BDCDMO C[C@]1(F)CNCC[N@H+](Cc2ccccc2O)C1 ZINC000843124403 588083762 /nfs/dbraw/zinc/08/37/62/588083762.db2.gz AEWFUQDWQFXORV-ZDUSSCGKSA-N 1 1 238.306 1.526 20 10 BDCDMO C[C@]1(F)CNCC[N@@H+](Cc2ccccc2O)C1 ZINC000843124403 588083763 /nfs/dbraw/zinc/08/37/63/588083763.db2.gz AEWFUQDWQFXORV-ZDUSSCGKSA-N 1 1 238.306 1.526 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)CCO)c1 ZINC000846110143 588257110 /nfs/dbraw/zinc/25/71/10/588257110.db2.gz HUPXQCVMBYXLTM-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)CCO ZINC000846111894 588257171 /nfs/dbraw/zinc/25/71/71/588257171.db2.gz RWSUWEZFHJWZPJ-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)CCO)c1 ZINC000846111440 588257296 /nfs/dbraw/zinc/25/72/96/588257296.db2.gz OZYXHNRNKZCPFQ-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO C[C@H](O)C[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000848929744 588422096 /nfs/dbraw/zinc/42/20/96/588422096.db2.gz ZMILPRWUJUBOCW-VIFPVBQESA-N 1 1 239.290 1.877 20 10 BDCDMO CC[N@@H+](CC(=O)NC)Cc1cccc(C)c1O ZINC000124533294 590047595 /nfs/dbraw/zinc/04/75/95/590047595.db2.gz IIJWKWIDTWHOAT-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)CC(=O)NC1CC1 ZINC000876549602 590214339 /nfs/dbraw/zinc/21/43/39/590214339.db2.gz SEZHYMVVKIKPPF-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC000876610852 590221612 /nfs/dbraw/zinc/22/16/12/590221612.db2.gz KEDJJIOIGAAZNH-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCCNC(=O)C1 ZINC000876640584 590224989 /nfs/dbraw/zinc/22/49/89/590224989.db2.gz YPBWWMWGRCYKKD-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO CC[C@H]1C[N@@H+](Cc2c(C)cccc2O)C[C@H]1O ZINC000876815176 590245948 /nfs/dbraw/zinc/24/59/48/590245948.db2.gz NMDXWJLVJMEFJM-SMDDNHRTSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1c(C)cccc1O ZINC000877526082 590347709 /nfs/dbraw/zinc/34/77/09/590347709.db2.gz FUUOYRCVBBTWIF-UHFFFAOYSA-N 1 1 233.271 1.682 20 10 BDCDMO Cc1ccc(C[N@H+]2CCN3CCC2CC3)c(O)c1 ZINC000877527828 590348856 /nfs/dbraw/zinc/34/88/56/590348856.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1ccc(CN2CC[NH+]3CCC2CC3)c(O)c1 ZINC000877527828 590348859 /nfs/dbraw/zinc/34/88/59/590348859.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 1 1 246.354 1.981 20 10 BDCDMO COC[C@H](C)C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702603 590396134 /nfs/dbraw/zinc/39/61/34/590396134.db2.gz DFKYLZKIRSRUKK-SNVBAGLBSA-N 1 1 221.300 1.990 20 10 BDCDMO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nnnn1C ZINC000879650865 590843323 /nfs/dbraw/zinc/84/33/23/590843323.db2.gz UMHUCJBMZLQTHT-IUCAKERBSA-N 1 1 247.302 1.328 20 10 BDCDMO Cc1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)ccc1N(C)C ZINC000880420032 591029278 /nfs/dbraw/zinc/02/92/78/591029278.db2.gz WKOMMNAOMZMVLZ-ZFWWWQNUSA-N 1 1 246.354 1.628 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN[C@H](C)C2)c1O ZINC000132481773 591713541 /nfs/dbraw/zinc/71/35/41/591713541.db2.gz QPMAAKRBXZQNEA-LLVKDONJSA-N 1 1 220.316 1.494 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN[C@H](C)C2)c1O ZINC000132481773 591713542 /nfs/dbraw/zinc/71/35/42/591713542.db2.gz QPMAAKRBXZQNEA-LLVKDONJSA-N 1 1 220.316 1.494 20 10 BDCDMO C[C@@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886487782 592235155 /nfs/dbraw/zinc/23/51/55/592235155.db2.gz VDUUPKHKFHSWFY-HTQZYQBOSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@H]([NH2+]CCOCCO)c1c(O)cccc1F ZINC000886491424 592236851 /nfs/dbraw/zinc/23/68/51/592236851.db2.gz CYZRBZBQALUJOL-VIFPVBQESA-N 1 1 243.278 1.191 20 10 BDCDMO [NH3+]C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000219733602 592240533 /nfs/dbraw/zinc/24/05/33/592240533.db2.gz VAYMPJVOXRVFIO-JTQLQIEISA-N 1 1 238.306 1.702 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1c(O)cccc1F ZINC000886644368 592287741 /nfs/dbraw/zinc/28/77/41/592287741.db2.gz BITZESXYLVYLSK-LPEHRKFASA-N 1 1 239.290 1.953 20 10 BDCDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000054110171 635389442 /nfs/dbraw/zinc/38/94/42/635389442.db2.gz COFLFXPLERBRHH-UHFFFAOYSA-N 1 1 249.358 1.268 20 10 BDCDMO CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000034823188 635823907 /nfs/dbraw/zinc/82/39/07/635823907.db2.gz ORYCNLBBJNAPCM-UHFFFAOYSA-N 1 1 247.386 1.938 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC000191182621 636702145 /nfs/dbraw/zinc/70/21/45/636702145.db2.gz CYVDFJJFHIDGLN-BXKDBHETSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(F)cc1O ZINC000062748157 641091119 /nfs/dbraw/zinc/09/11/19/641091119.db2.gz DAUYLUTXJRVQSQ-MWLCHTKSSA-N 1 1 238.306 1.886 20 10 BDCDMO CN(C)c1nc(NCc2ccccc2O)cc[nH+]1 ZINC000077214373 641840103 /nfs/dbraw/zinc/84/01/03/641840103.db2.gz PZAOSRDMVMNMRG-UHFFFAOYSA-N 1 1 244.298 1.860 20 10 BDCDMO CC[N@@H+](CCC(=O)OC)Cc1ccccc1O ZINC000179562367 642725607 /nfs/dbraw/zinc/72/56/07/642725607.db2.gz YDFFIZMFMOZKHS-UHFFFAOYSA-N 1 1 237.299 1.777 20 10 BDCDMO c1c[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000070939334 643083583 /nfs/dbraw/zinc/08/35/83/643083583.db2.gz HYLFQHTUYPIAPH-UHFFFAOYSA-N 1 1 229.283 1.634 20 10 BDCDMO C[NH2+]CCCNCc1cccc(OC)c1O ZINC000083353521 643435711 /nfs/dbraw/zinc/43/57/11/643435711.db2.gz MOOJVPRZFHJBOH-UHFFFAOYSA-N 1 1 224.304 1.100 20 10 BDCDMO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1O ZINC000084080957 643641954 /nfs/dbraw/zinc/64/19/54/643641954.db2.gz IXMBOCDFUKMDMD-VIFPVBQESA-N 1 1 217.272 1.966 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC000249873249 644743550 /nfs/dbraw/zinc/74/35/50/644743550.db2.gz GNGPUJGEVDVCBG-BXKDBHETSA-N 1 1 239.290 1.734 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000250090624 644747010 /nfs/dbraw/zinc/74/70/10/644747010.db2.gz QDTPTECCMUAFOU-WCQYABFASA-N 1 1 235.327 1.903 20 10 BDCDMO CC[C@@H]([NH3+])CN[C@H](C)c1cc(OC)ccc1O ZINC000817980862 644995126 /nfs/dbraw/zinc/99/51/26/644995126.db2.gz XQJKKTRMAGGVFJ-NXEZZACHSA-N 1 1 238.331 1.789 20 10 BDCDMO CC[C@@H](N)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817980862 644995130 /nfs/dbraw/zinc/99/51/30/644995130.db2.gz XQJKKTRMAGGVFJ-NXEZZACHSA-N 1 1 238.331 1.789 20 10 BDCDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1O ZINC000824637842 645057518 /nfs/dbraw/zinc/05/75/18/645057518.db2.gz ZYVTXMJWVWEXKQ-STQMWFEESA-N 1 1 235.327 1.985 20 10 BDCDMO CCOC(=O)/C=C\C[N@@H+](C)Cc1ccccc1O ZINC000929973197 646381060 /nfs/dbraw/zinc/38/10/60/646381060.db2.gz XZYYQFCNCNMORC-TWGQIWQCSA-N 1 1 249.310 1.943 20 10 BDCDMO Cc1cccc(C[N@@H+](C)[C@H](C)CN)c1O ZINC000381714516 710681980 /nfs/dbraw/zinc/68/19/80/710681980.db2.gz KVGCRVPACSWWBR-SNVBAGLBSA-N 1 1 208.305 1.480 20 10 BDCDMO C[C@H]1NCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726133 711368382 /nfs/dbraw/zinc/36/83/82/711368382.db2.gz YSWDGASQCPBEAK-IUODEOHRSA-N 1 1 247.386 1.983 20 10 BDCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCNC2=O)cc1C ZINC000758398394 712408581 /nfs/dbraw/zinc/40/85/81/712408581.db2.gz NOXJVKPWNVHYHY-LBPRGKRZSA-N 1 1 248.326 1.329 20 10 BDCDMO COCOCCC[N@@H+](C)Cc1ccccc1O ZINC001209032131 969327113 /nfs/dbraw/zinc/32/71/13/969327113.db2.gz NWDFWOAKMFBVCB-UHFFFAOYSA-N 1 1 239.315 1.835 20 10 BDCDMO C[NH2+]C[C@H](C)CNCc1ccc(OC)c(C)c1 ZINC001328678548 973268930 /nfs/dbraw/zinc/26/89/30/973268930.db2.gz YGQBZPGACXZMBC-NSHDSACASA-N 1 1 236.359 1.949 20 10 BDCDMO 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CC[N@@H+](CCO)Cc1cc(F)ccc1O ZINC000179870431 385496111 /nfs/dbraw/zinc/49/61/11/385496111.db2.gz AMLBDSIHBKISBQ-UHFFFAOYSA-N 1 1 213.252 1.346 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCCOCC2)cc1 ZINC000372434146 385576649 /nfs/dbraw/zinc/57/66/49/385576649.db2.gz WPTQBWNFBHEDBQ-UHFFFAOYSA-N 1 1 234.343 1.975 20 10 BDCDMO CC[N@H+](CC(=O)OC)Cc1cc(C)ccc1O ZINC000271148758 385793890 /nfs/dbraw/zinc/79/38/90/385793890.db2.gz JMEIUHFUZYXMOC-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CC[N@@H+](CC(=O)OC)Cc1cc(C)ccc1O ZINC000271148758 385793895 /nfs/dbraw/zinc/79/38/95/385793895.db2.gz JMEIUHFUZYXMOC-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000289386201 386295741 /nfs/dbraw/zinc/29/57/41/386295741.db2.gz DFJISQKCNJBOGQ-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000264716402 386263210 /nfs/dbraw/zinc/26/32/10/386263210.db2.gz NNMDDQNYRQUZQD-UHFFFAOYSA-N 1 1 236.315 1.302 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1O)[C@@H]1CCC[C@H]1O ZINC000289224621 386274165 /nfs/dbraw/zinc/27/41/65/386274165.db2.gz CSDGLUBQIDOJSE-VXGBXAGGSA-N 1 1 239.290 1.877 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCC[C@H]1O ZINC000289224621 386274167 /nfs/dbraw/zinc/27/41/67/386274167.db2.gz CSDGLUBQIDOJSE-VXGBXAGGSA-N 1 1 239.290 1.877 20 10 BDCDMO CC(=O)C(=O)Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000295687260 386703717 /nfs/dbraw/zinc/70/37/17/386703717.db2.gz CYHHUPMIIZHHTP-RKDXNWHRSA-N 1 1 234.299 1.412 20 10 BDCDMO CO[C@@H](C)C[NH2+]Cc1cccc(F)c1O ZINC000223896806 388658609 /nfs/dbraw/zinc/65/86/09/388658609.db2.gz ZNMHOGYEHPJFEY-QMMMGPOBSA-N 1 1 213.252 1.656 20 10 BDCDMO Cc1cccc(C[N@H+]2CCNC(=O)CC2)c1O ZINC000180061196 134325879 /nfs/dbraw/zinc/32/58/79/134325879.db2.gz CDIULMCDWMMBRX-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000299580197 173049767 /nfs/dbraw/zinc/04/97/67/173049767.db2.gz SXNOQNAHWCFXDX-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO CN1CCC[C@H]1C[NH2+]Cc1cccc(F)c1O 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/nfs/dbraw/zinc/92/02/67/585920267.db2.gz BIEMVSZAHQVWEI-CMPLNLGQSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1C ZINC000788271150 585920556 /nfs/dbraw/zinc/92/05/56/585920556.db2.gz ZFINUBFKVCKIBR-WCQYABFASA-N 1 1 235.327 1.964 20 10 BDCDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1O ZINC000791053176 585973427 /nfs/dbraw/zinc/97/34/27/585973427.db2.gz BJPYLALINBIUTI-UHFFFAOYSA-N 1 1 210.233 1.101 20 10 BDCDMO OC[C@]1(F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000802660976 586309269 /nfs/dbraw/zinc/30/92/69/586309269.db2.gz BLBKWHHVDABBEJ-LBPRGKRZSA-N 1 1 225.263 1.299 20 10 BDCDMO COc1cccc(O)c1C[N@H+](C)C[C@@H](C)OC ZINC000809717038 586514492 /nfs/dbraw/zinc/51/44/92/586514492.db2.gz CCTXCWNQQDZBCN-SNVBAGLBSA-N 1 1 239.315 1.868 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000816484229 586736094 /nfs/dbraw/zinc/73/60/94/586736094.db2.gz UXMNPYLQZSJAFU-MRVPVSSYSA-N 1 1 245.681 1.751 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000816484229 586736096 /nfs/dbraw/zinc/73/60/96/586736096.db2.gz UXMNPYLQZSJAFU-MRVPVSSYSA-N 1 1 245.681 1.751 20 10 BDCDMO C[C@H](NCCc1ccc(N)cc1)[C@H]1CCC[NH2+]1 ZINC000817958524 586850346 /nfs/dbraw/zinc/85/03/46/586850346.db2.gz WPLYWENEEABAMI-SMDDNHRTSA-N 1 1 233.359 1.541 20 10 BDCDMO Cc1cc(C)c([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817978091 586862031 /nfs/dbraw/zinc/86/20/31/586862031.db2.gz VTXAHTMJVUGNRM-FJJYHAOUSA-N 1 1 246.354 1.877 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104360 587304141 /nfs/dbraw/zinc/30/41/41/587304141.db2.gz VAHWINBGHXMZJQ-BXKDBHETSA-N 1 1 237.299 1.356 20 10 BDCDMO CNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000827862345 587405886 /nfs/dbraw/zinc/40/58/86/587405886.db2.gz CARMFLFKFSCJAA-UHFFFAOYSA-N 1 1 249.358 1.239 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840910300 587929507 /nfs/dbraw/zinc/92/95/07/587929507.db2.gz QDEGNNSHGQKUJO-SECBINFHSA-N 1 1 241.718 1.921 20 10 BDCDMO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(Cl)c1O ZINC000841024985 587935624 /nfs/dbraw/zinc/93/56/24/587935624.db2.gz WGIOBFPXFFRXJC-KWQFWETISA-N 1 1 240.734 1.967 20 10 BDCDMO C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841063129 587941768 /nfs/dbraw/zinc/94/17/68/587941768.db2.gz IGXYQTMGCDUSSK-LURJTMIESA-N 1 1 232.686 1.622 20 10 BDCDMO CCOc1ccc(O)c(CNC[C@@H]([NH3+])CC)c1 ZINC000841069920 587942910 /nfs/dbraw/zinc/94/29/10/587942910.db2.gz HOWSRQNTPHYAGZ-NSHDSACASA-N 1 1 238.331 1.618 20 10 BDCDMO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1O ZINC000841077096 587943742 /nfs/dbraw/zinc/94/37/42/587943742.db2.gz ZFARDFFBOUIUCR-UWVGGRQHSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cccc(CN[C@@H](C)[C@H](C)[NH3+])c1O ZINC000841077096 587943745 /nfs/dbraw/zinc/94/37/45/587943745.db2.gz ZFARDFFBOUIUCR-UWVGGRQHSA-N 1 1 208.305 1.526 20 10 BDCDMO [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843046925 588075693 /nfs/dbraw/zinc/07/56/93/588075693.db2.gz FMUKHBMASMQTNV-JTQLQIEISA-N 1 1 238.306 1.702 20 10 BDCDMO COc1cccc(O)c1CN1CCC([NH3+])CC1 ZINC000843047337 588075882 /nfs/dbraw/zinc/07/58/82/588075882.db2.gz LXLNXXLJEPBVOY-UHFFFAOYSA-N 1 1 236.315 1.324 20 10 BDCDMO [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843048429 588076238 /nfs/dbraw/zinc/07/62/38/588076238.db2.gz TVQXNXRGIKNDEF-VIFPVBQESA-N 1 1 240.734 1.826 20 10 BDCDMO [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843048428 588076304 /nfs/dbraw/zinc/07/63/04/588076304.db2.gz TVQXNXRGIKNDEF-SECBINFHSA-N 1 1 240.734 1.826 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051424 588076582 /nfs/dbraw/zinc/07/65/82/588076582.db2.gz HFVBPQZNKFFJFL-SKDRFNHKSA-N 1 1 238.306 1.700 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051423 588077084 /nfs/dbraw/zinc/07/70/84/588077084.db2.gz HFVBPQZNKFFJFL-JOYOIKCWSA-N 1 1 238.306 1.700 20 10 BDCDMO CN(C)c1ccc(CN(C)CCC[NH3+])cc1F ZINC000843051096 588077219 /nfs/dbraw/zinc/07/72/19/588077219.db2.gz UURQPDMXRLQYSP-UHFFFAOYSA-N 1 1 239.338 1.672 20 10 BDCDMO CC(C)[C@H]1C[N@H+](Cc2ccccc2O)CCN1 ZINC000843105680 588081593 /nfs/dbraw/zinc/08/15/93/588081593.db2.gz VSXPAQCUDCKLQC-CYBMUJFWSA-N 1 1 234.343 1.822 20 10 BDCDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2O)CCN1 ZINC000843105680 588081595 /nfs/dbraw/zinc/08/15/95/588081595.db2.gz VSXPAQCUDCKLQC-CYBMUJFWSA-N 1 1 234.343 1.822 20 10 BDCDMO C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116309 588082744 /nfs/dbraw/zinc/08/27/44/588082744.db2.gz KIPXASARFMCLMW-ZDUSSCGKSA-N 1 1 238.306 1.702 20 10 BDCDMO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1[NH3+] ZINC000843120278 588083335 /nfs/dbraw/zinc/08/33/35/588083335.db2.gz CMRVYJMZFNDJRB-LDYMZIIASA-N 1 1 240.734 1.825 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000876511360 590205292 /nfs/dbraw/zinc/20/52/92/590205292.db2.gz GJFVXAIJRKAFJK-NSHDSACASA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@H](O)C2)c(O)c1 ZINC000876528127 590209331 /nfs/dbraw/zinc/20/93/31/590209331.db2.gz PXCUDPZUZNUCQR-LBPRGKRZSA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1ccc(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC000876541874 590212778 /nfs/dbraw/zinc/21/27/78/590212778.db2.gz LFPZIVDKEYFARO-UHFFFAOYSA-N 1 1 236.315 1.221 20 10 BDCDMO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC000876557022 590215737 /nfs/dbraw/zinc/21/57/37/590215737.db2.gz DUMPTKQLSGMIAJ-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO COCC[N@@H+](C)Cc1ccc(C)cc1O ZINC000876564788 590216243 /nfs/dbraw/zinc/21/62/43/590216243.db2.gz ONJKLJNPBYFUOO-UHFFFAOYSA-N 1 1 209.289 1.779 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC000876651487 590226176 /nfs/dbraw/zinc/22/61/76/590226176.db2.gz CPOAZTMYVHSRCB-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC000876651487 590226177 /nfs/dbraw/zinc/22/61/77/590226177.db2.gz CPOAZTMYVHSRCB-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(O)c1C[NH2+]CCCN(C)C ZINC000876886888 590254200 /nfs/dbraw/zinc/25/42/00/590254200.db2.gz CVCRZQKOLWRYTC-UHFFFAOYSA-N 1 1 222.332 1.742 20 10 BDCDMO C[C@@H]1[C@H](C(=O)N(C)c2ccc(N)cc2)CC[N@H+]1C ZINC000877076117 590278986 /nfs/dbraw/zinc/27/89/86/590278986.db2.gz MHXGCAJYIJRRDS-ZWNOBZJWSA-N 1 1 247.342 1.572 20 10 BDCDMO CCN1CC[N@H+](Cc2c(C)cccc2O)CC1=O ZINC000877339845 590317596 /nfs/dbraw/zinc/31/75/96/590317596.db2.gz HDKPFMZGYIRSQU-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO CCN1CC[N@@H+](Cc2c(C)cccc2O)CC1=O ZINC000877339845 590317597 /nfs/dbraw/zinc/31/75/97/590317597.db2.gz HDKPFMZGYIRSQU-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)C1CC(O)C1 ZINC000877344619 590319078 /nfs/dbraw/zinc/31/90/78/590319078.db2.gz KRAFWNDZPMFKFS-UHFFFAOYSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC000877434747 590326793 /nfs/dbraw/zinc/32/67/93/590326793.db2.gz TZKCBRDXGPDEQK-WCQYABFASA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000877494547 590340764 /nfs/dbraw/zinc/34/07/64/590340764.db2.gz YFXGHTZXHVOVFG-AWEZNQCLSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC000877632207 590377593 /nfs/dbraw/zinc/37/75/93/590377593.db2.gz RUWBBEPZJZQMHR-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877660580 590387204 /nfs/dbraw/zinc/38/72/04/590387204.db2.gz NZXSNNHDEVFUQA-ZYHUDNBSSA-N 1 1 247.294 1.305 20 10 BDCDMO C[C@@H]([NH2+]CCO)c1cc(F)cc(F)c1O ZINC000134911107 591959022 /nfs/dbraw/zinc/95/90/22/591959022.db2.gz OLNUCSKENBTNJS-ZCFIWIBFSA-N 1 1 217.215 1.313 20 10 BDCDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000136822265 592151820 /nfs/dbraw/zinc/15/18/20/592151820.db2.gz JDVONYTWGVEICU-RYUDHWBXSA-N 1 1 235.327 1.985 20 10 BDCDMO C[C@H]([NH2+][C@H]1CCN(C)C1)c1c(O)cccc1F ZINC000886522913 592244271 /nfs/dbraw/zinc/24/42/71/592244271.db2.gz SYBPNBJNWVTUBA-UWVGGRQHSA-N 1 1 238.306 1.886 20 10 BDCDMO C[C@H](O)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886528369 592246200 /nfs/dbraw/zinc/24/62/00/592246200.db2.gz KYTYRYSAZGNXQB-IUCAKERBSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1c(O)cccc1F ZINC000886629576 592281501 /nfs/dbraw/zinc/28/15/01/592281501.db2.gz IRTIBOZLBGKLHA-SZEHBUNVSA-N 1 1 225.263 1.705 20 10 BDCDMO CON(C)CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886634863 592284350 /nfs/dbraw/zinc/28/43/50/592284350.db2.gz OQSBGDXBRWNSKW-SECBINFHSA-N 1 1 242.294 1.675 20 10 BDCDMO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c(O)cccc1F ZINC000886650641 592288985 /nfs/dbraw/zinc/28/89/85/592288985.db2.gz ZZHAMMLOZKIRTP-OPRDCNLKSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1[NH3+] ZINC000300417483 592512001 /nfs/dbraw/zinc/51/20/01/592512001.db2.gz VKQVLPSAKUBEOS-BXKDBHETSA-N 1 1 238.306 1.700 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000196423292 634379115 /nfs/dbraw/zinc/37/91/15/634379115.db2.gz IJZGPIBXDXORGG-GFCCVEGCSA-N 1 1 221.300 1.657 20 10 BDCDMO CC(C)[N@H+](C)CCNCc1cc(F)ccc1O ZINC000226589148 635437136 /nfs/dbraw/zinc/43/71/36/635437136.db2.gz SQEFQTNTSZBMKN-UHFFFAOYSA-N 1 1 240.322 1.961 20 10 BDCDMO CC(C)[N@@H+](C)CCNCc1cc(F)ccc1O ZINC000226589148 635437141 /nfs/dbraw/zinc/43/71/41/635437141.db2.gz SQEFQTNTSZBMKN-UHFFFAOYSA-N 1 1 240.322 1.961 20 10 BDCDMO CC1(C)C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179570308 632746898 /nfs/dbraw/zinc/74/68/98/632746898.db2.gz SUKWNDSXTJGVAJ-UHFFFAOYSA-N 1 1 234.299 1.103 20 10 BDCDMO CC1(C)C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000179570308 632746903 /nfs/dbraw/zinc/74/69/03/632746903.db2.gz SUKWNDSXTJGVAJ-UHFFFAOYSA-N 1 1 234.299 1.103 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164208745 633073481 /nfs/dbraw/zinc/07/34/81/633073481.db2.gz LZLHQCOUSGHYCO-UHFFFAOYSA-N 1 1 239.315 1.787 20 10 BDCDMO C[C@H](C[C@H](C)O)[NH2+]Cc1cccc(F)c1O ZINC000164592104 633079365 /nfs/dbraw/zinc/07/93/65/633079365.db2.gz MEPHCRUXWUFPQY-BDAKNGLRSA-N 1 1 227.279 1.780 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1O ZINC000188466351 634146239 /nfs/dbraw/zinc/14/62/39/634146239.db2.gz PKQBXDKRPOWBJT-UHFFFAOYSA-N 1 1 242.706 1.353 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CNOC1)c1cc(F)cc(F)c1O ZINC000925862554 635561646 /nfs/dbraw/zinc/56/16/46/635561646.db2.gz UIEFDZKARCWWOC-HTRCEHHLSA-N 1 1 244.241 1.224 20 10 BDCDMO Oc1ccc(F)cc1C[NH2+]Cc1ccon1 ZINC000226613762 640779801 /nfs/dbraw/zinc/77/98/01/640779801.db2.gz TWYSTNBEKVCJFZ-UHFFFAOYSA-N 1 1 222.219 1.809 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000190044056 641061197 /nfs/dbraw/zinc/06/11/97/641061197.db2.gz QDTPTECCMUAFOU-DGCLKSJQSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cnc(C[NH2+]Cc2ccccc2O)o1 ZINC000231788137 641203344 /nfs/dbraw/zinc/20/33/44/641203344.db2.gz NSGWYJZBRTUUJA-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO COc1cc(C)cc(C[N@@H+](C)CCO)c1O ZINC000213009161 641706874 /nfs/dbraw/zinc/70/68/74/641706874.db2.gz GIHUGWXCROVNOF-UHFFFAOYSA-N 1 1 225.288 1.133 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000190057250 641831577 /nfs/dbraw/zinc/83/15/77/641831577.db2.gz BBXURCOIUWHRRZ-WFASDCNBSA-N 1 1 248.370 1.955 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]Cc2c[nH]cn2)c1 ZINC000084080881 643642252 /nfs/dbraw/zinc/64/22/52/643642252.db2.gz JDDIDKAGJFKQCY-UHFFFAOYSA-N 1 1 217.272 1.714 20 10 BDCDMO CCC[N@@H+](CC(N)=O)Cc1cccc(C)c1O ZINC000383641629 711874088 /nfs/dbraw/zinc/87/40/88/711874088.db2.gz ZYJQZGJOBJYBGT-UHFFFAOYSA-N 1 1 236.315 1.398 20 10 BDCDMO COCC1([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708494805 712211959 /nfs/dbraw/zinc/21/19/59/712211959.db2.gz PUNSWFSUIIJFAE-UHFFFAOYSA-N 1 1 243.253 1.939 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCNC[C@H]2C)c1 ZINC000722393860 711753718 /nfs/dbraw/zinc/75/37/18/711753718.db2.gz DQHOLLZBCKXPHX-LLVKDONJSA-N 1 1 220.316 1.494 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCNC[C@H]2C)c1 ZINC000722393860 711753720 /nfs/dbraw/zinc/75/37/20/711753720.db2.gz DQHOLLZBCKXPHX-LLVKDONJSA-N 1 1 220.316 1.494 20 10 BDCDMO CC[C@@H](CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484362 712185652 /nfs/dbraw/zinc/18/56/52/712185652.db2.gz HJPPVMPZTLDUJP-JTQLQIEISA-N 1 1 245.269 1.921 20 10 BDCDMO C[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708387207 712191887 /nfs/dbraw/zinc/19/18/87/712191887.db2.gz ARWUQNTXKHTQHA-LURJTMIESA-N 1 1 217.215 1.141 20 10 BDCDMO CC[C@@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481363 712194231 /nfs/dbraw/zinc/19/42/31/712194231.db2.gz CTEVOCVPPJSHAQ-GFCCVEGCSA-N 1 1 245.269 1.921 20 10 BDCDMO OCC1([NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708440876 712194832 /nfs/dbraw/zinc/19/48/32/712194832.db2.gz FEFSBCQWILXSLP-UHFFFAOYSA-N 1 1 243.253 1.675 20 10 BDCDMO C[C@@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000708442478 712195116 /nfs/dbraw/zinc/19/51/16/712195116.db2.gz MLYWHPROSKCSSC-GFCCVEGCSA-N 1 1 243.253 1.939 20 10 BDCDMO C[C@@H]1COCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141155954 960892935 /nfs/dbraw/zinc/89/29/35/960892935.db2.gz BXHQPRRJIQVXKR-SECBINFHSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@@H]1COCC[N@H+]1Cc1cc(O)ccc1O ZINC001141155954 960892942 /nfs/dbraw/zinc/89/29/42/960892942.db2.gz BXHQPRRJIQVXKR-SECBINFHSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccccc2O)C1 ZINC001203550390 966680671 /nfs/dbraw/zinc/68/06/71/966680671.db2.gz UJNOWPNJKQMBCG-JQWIXIFHSA-N 1 1 221.300 1.595 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001203549893 966682913 /nfs/dbraw/zinc/68/29/13/966682913.db2.gz BRCXKVYZAAQWCB-GFCCVEGCSA-N 1 1 221.300 1.739 20 10 BDCDMO CSCC[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233487241 978611975 /nfs/dbraw/zinc/61/19/75/978611975.db2.gz VYSCJUCFZWQTLB-UHFFFAOYSA-N 1 1 243.328 1.598 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCCCC23COC3)c1 ZINC001141160245 960415400 /nfs/dbraw/zinc/41/54/00/960415400.db2.gz UTTFBCHGIUJHQX-UHFFFAOYSA-N 1 1 249.310 1.853 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCCCC23COC3)c1 ZINC001141160245 960415411 /nfs/dbraw/zinc/41/54/11/960415411.db2.gz UTTFBCHGIUJHQX-UHFFFAOYSA-N 1 1 249.310 1.853 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001140617709 960462279 /nfs/dbraw/zinc/46/22/79/960462279.db2.gz YPSHBRIGXPQODT-CMPLNLGQSA-N 1 1 225.263 1.215 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCC23COC3)c1 ZINC001140620854 960464784 /nfs/dbraw/zinc/46/47/84/960464784.db2.gz AJTCLUHDVQFCBA-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC23COC3)c1 ZINC001140620854 960464793 /nfs/dbraw/zinc/46/47/93/960464793.db2.gz AJTCLUHDVQFCBA-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC001140743922 960543427 /nfs/dbraw/zinc/54/34/27/960543427.db2.gz DWQGSPICPQEEMD-PHIMTYICSA-N 1 1 219.284 1.858 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001140742510 960545321 /nfs/dbraw/zinc/54/53/21/960545321.db2.gz QKNQLBOHYIYOHT-KCJUWKMLSA-N 1 1 237.299 1.361 20 10 BDCDMO COCC[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140742460 960545348 /nfs/dbraw/zinc/54/53/48/960545348.db2.gz PEYVJOSHLWMGIE-UHFFFAOYSA-N 1 1 225.288 1.484 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001140948433 960739628 /nfs/dbraw/zinc/73/96/28/960739628.db2.gz HDWGXMGAGILXEN-NSHDSACASA-N 1 1 234.299 1.150 20 10 BDCDMO CC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141141166 960885983 /nfs/dbraw/zinc/88/59/83/960885983.db2.gz VIXRYRYKVRMKKF-UHFFFAOYSA-N 1 1 248.326 1.536 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141141166 960885986 /nfs/dbraw/zinc/88/59/86/960885986.db2.gz VIXRYRYKVRMKKF-UHFFFAOYSA-N 1 1 248.326 1.536 20 10 BDCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156193 960890382 /nfs/dbraw/zinc/89/03/82/960890382.db2.gz TYLPCWDAKSTYQU-GFCCVEGCSA-N 1 1 237.299 1.709 20 10 BDCDMO CCN1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155695 960890711 /nfs/dbraw/zinc/89/07/11/960890711.db2.gz FXLJXGBFGYOMRB-UHFFFAOYSA-N 1 1 236.315 1.235 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156597 960892426 /nfs/dbraw/zinc/89/24/26/960892426.db2.gz OFKGXUMWAWJCGO-NOZJJQNGSA-N 1 1 237.299 1.301 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001141156948 960894206 /nfs/dbraw/zinc/89/42/06/960894206.db2.gz YSEIISYANYQBEV-CQSZACIVSA-N 1 1 249.310 1.710 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC001141160927 960894375 /nfs/dbraw/zinc/89/43/75/960894375.db2.gz JROIYZWMWZADDO-AWEZNQCLSA-N 1 1 249.310 1.853 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001141157693 960897584 /nfs/dbraw/zinc/89/75/84/960897584.db2.gz MRYAJIXMMAIIDL-YGRLFVJLSA-N 1 1 249.310 1.709 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001141161815 960903494 /nfs/dbraw/zinc/90/34/94/960903494.db2.gz YXBQVBDFAXYOFT-YGRLFVJLSA-N 1 1 249.310 1.709 20 10 BDCDMO Nc1ccc(NCc2ccc(O)c(O)c2)[nH+]c1 ZINC001158994332 963968726 /nfs/dbraw/zinc/96/87/26/963968726.db2.gz ILRKQYVFENDKMZ-UHFFFAOYSA-N 1 1 231.255 1.687 20 10 BDCDMO Cc1cccc(CNc2cc(N)[nH+]cn2)c1O ZINC001160770097 964409373 /nfs/dbraw/zinc/40/93/73/964409373.db2.gz QIMSQONTEFPWHN-UHFFFAOYSA-N 1 1 230.271 1.685 20 10 BDCDMO Cc1cccc(CNc2cc(N)nc[nH+]2)c1O ZINC001160770097 964409385 /nfs/dbraw/zinc/40/93/85/964409385.db2.gz QIMSQONTEFPWHN-UHFFFAOYSA-N 1 1 230.271 1.685 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001203550179 966672903 /nfs/dbraw/zinc/67/29/03/966672903.db2.gz KKYUKIYQHCOWJI-PWSUYJOCSA-N 1 1 225.263 1.297 20 10 BDCDMO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccccc2O)C1 ZINC001203550540 966680767 /nfs/dbraw/zinc/68/07/67/966680767.db2.gz YOYRMYQIVYDFJG-JQWIXIFHSA-N 1 1 239.290 1.545 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001203550489 966684104 /nfs/dbraw/zinc/68/41/04/966684104.db2.gz VZVIWORKPTVCBF-DGCLKSJQSA-N 1 1 239.290 1.687 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001203550490 966684832 /nfs/dbraw/zinc/68/48/32/966684832.db2.gz VZVIWORKPTVCBF-WCQYABFASA-N 1 1 239.290 1.687 20 10 BDCDMO Oc1ccccc1C[NH+]1CC(N2CCCC2)C1 ZINC001203556457 966688361 /nfs/dbraw/zinc/68/83/61/966688361.db2.gz QOFSEHJTCKBCQM-UHFFFAOYSA-N 1 1 232.327 1.672 20 10 BDCDMO CC(=O)N1CC[N@H+](Cc2ccccc2O)C[C@H]1C ZINC001203558257 966689236 /nfs/dbraw/zinc/68/92/36/966689236.db2.gz APLZZHSEVZYDEY-LLVKDONJSA-N 1 1 248.326 1.445 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c1O ZINC001203600236 966698777 /nfs/dbraw/zinc/69/87/77/966698777.db2.gz YNOQMCSTBYLVQY-LLVKDONJSA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001203670565 966734600 /nfs/dbraw/zinc/73/46/00/966734600.db2.gz TZQNPCNCTBSIDH-SNVBAGLBSA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001203670565 966734612 /nfs/dbraw/zinc/73/46/12/966734612.db2.gz TZQNPCNCTBSIDH-SNVBAGLBSA-N 1 1 249.310 1.812 20 10 BDCDMO OC[C@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203874033 966804997 /nfs/dbraw/zinc/80/49/97/966804997.db2.gz LQQKBYREDKSMEA-LLVKDONJSA-N 1 1 237.299 1.445 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203876050 966805298 /nfs/dbraw/zinc/80/52/98/966805298.db2.gz ZZRZTMACERZEII-NOZJJQNGSA-N 1 1 237.299 1.301 20 10 BDCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203879987 966805874 /nfs/dbraw/zinc/80/58/74/966805874.db2.gz LFLLGUXPRIDPGN-GLXFQSAKSA-N 1 1 249.310 1.565 20 10 BDCDMO C[C@H]1COCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874675 966807057 /nfs/dbraw/zinc/80/70/57/966807057.db2.gz BHKOVTLKXSDGSK-SNVBAGLBSA-N 1 1 237.299 1.566 20 10 BDCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882935 966810374 /nfs/dbraw/zinc/81/03/74/966810374.db2.gz XQZOKHJJDXKSJP-CYBMUJFWSA-N 1 1 237.299 1.445 20 10 BDCDMO CN(C)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204272301 966954514 /nfs/dbraw/zinc/95/45/14/966954514.db2.gz MPXYHZSLXSCRKH-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO CN(C)[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204272301 966954521 /nfs/dbraw/zinc/95/45/21/966954521.db2.gz MPXYHZSLXSCRKH-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCCO1 ZINC001204273068 966954843 /nfs/dbraw/zinc/95/48/43/966954843.db2.gz WHPRQJHZOAICLC-JTQLQIEISA-N 1 1 237.299 1.709 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001204279434 966956764 /nfs/dbraw/zinc/95/67/64/966956764.db2.gz ZBOWZLCOCPMJNX-PHIMTYICSA-N 1 1 221.256 1.071 20 10 BDCDMO Oc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001204279434 966956776 /nfs/dbraw/zinc/95/67/76/966956776.db2.gz ZBOWZLCOCPMJNX-PHIMTYICSA-N 1 1 221.256 1.071 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001204276966 966959259 /nfs/dbraw/zinc/95/92/59/966959259.db2.gz USUDNQZAXXXXEX-GHMZBOCLSA-N 1 1 241.262 1.003 20 10 BDCDMO Oc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001204276966 966959268 /nfs/dbraw/zinc/95/92/68/966959268.db2.gz USUDNQZAXXXXEX-GHMZBOCLSA-N 1 1 241.262 1.003 20 10 BDCDMO CC[N@@H+](Cc1ccc(O)cc1O)C1CN(C)C1 ZINC001204277890 966961633 /nfs/dbraw/zinc/96/16/33/966961633.db2.gz NSUSJXKUZJFKAU-UHFFFAOYSA-N 1 1 236.315 1.234 20 10 BDCDMO CC[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340246 966974359 /nfs/dbraw/zinc/97/43/59/966974359.db2.gz JGHIXSRUYAQWIT-UHFFFAOYSA-N 1 1 211.261 1.558 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H](O)C1CC1 ZINC001205684799 967777073 /nfs/dbraw/zinc/77/70/73/967777073.db2.gz MBYABCSFIOCWKF-LBPRGKRZSA-N 1 1 243.253 1.531 20 10 BDCDMO CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@@H](C)O ZINC001205789082 967821532 /nfs/dbraw/zinc/82/15/32/967821532.db2.gz KAOLZKNQPRBVJT-RDDDGLTNSA-N 1 1 245.269 1.919 20 10 BDCDMO COCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209210682 969400362 /nfs/dbraw/zinc/40/03/62/969400362.db2.gz DTLUZFCYVSLYTK-UHFFFAOYSA-N 1 1 237.299 1.492 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000723686076 970004063 /nfs/dbraw/zinc/00/40/63/970004063.db2.gz LPVLETOXNNJMFF-OKILXGFUSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000723686076 970004079 /nfs/dbraw/zinc/00/40/79/970004079.db2.gz LPVLETOXNNJMFF-OKILXGFUSA-N 1 1 246.354 1.979 20 10 BDCDMO Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000723686076 970004086 /nfs/dbraw/zinc/00/40/86/970004086.db2.gz LPVLETOXNNJMFF-OKILXGFUSA-N 1 1 246.354 1.979 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC001334774201 976637668 /nfs/dbraw/zinc/63/76/68/976637668.db2.gz GKARWKBIRCUCFC-CQSZACIVSA-N 1 1 248.326 1.260 20 10 BDCDMO Nc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC001334774201 976637672 /nfs/dbraw/zinc/63/76/72/976637672.db2.gz GKARWKBIRCUCFC-CQSZACIVSA-N 1 1 248.326 1.260 20 10 BDCDMO [NH3+]C1CC(NCc2ccc(N3CCCC3)cc2)C1 ZINC001336325235 977631741 /nfs/dbraw/zinc/63/17/41/977631741.db2.gz OYAWGCPRGFBJEW-UHFFFAOYSA-N 1 1 245.370 1.866 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCn3nccc3C2)c1O ZINC001231595027 977640156 /nfs/dbraw/zinc/64/01/56/977640156.db2.gz QUOVPJLJZXIKRK-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1cccc(C[N@H+]2CCn3nccc3C2)c1O ZINC001231595027 977640174 /nfs/dbraw/zinc/64/01/74/977640174.db2.gz QUOVPJLJZXIKRK-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO COC(=O)CC[N@@H+](C)Cc1cccc(C)c1O ZINC001231595126 977643048 /nfs/dbraw/zinc/64/30/48/977643048.db2.gz SVQXWYPHSYMJRH-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO COC(C[N@@H+](C)Cc1cccc(C)c1O)OC ZINC001231593960 977643635 /nfs/dbraw/zinc/64/36/35/977643635.db2.gz QEUILWRKJJRDNA-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/03/97/05/584039705.db2.gz QTPLAMHWUUHTPT-QPUJVOFHSA-N 1 1 225.263 1.344 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898194252 584096491 /nfs/dbraw/zinc/09/64/91/584096491.db2.gz WSJKCZPCVUTXHF-WCQYABFASA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]2CO)c1 ZINC000902629893 584646175 /nfs/dbraw/zinc/64/61/75/584646175.db2.gz JQONPYUALCYPEY-GFCCVEGCSA-N 1 1 221.300 1.576 20 10 BDCDMO Oc1ccc(F)cc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841077320 584787770 /nfs/dbraw/zinc/78/77/70/584787770.db2.gz AGUBAWSSEPNQDR-QWRGUYRKSA-N 1 1 242.269 1.321 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H](N)C(C)(C)C2)c1O ZINC000903986653 584835681 /nfs/dbraw/zinc/83/56/81/584835681.db2.gz OTFUVSJYCKWVSH-LBPRGKRZSA-N 1 1 234.343 1.870 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](N)C(C)(C)C2)c1O ZINC000903986653 584835682 /nfs/dbraw/zinc/83/56/82/584835682.db2.gz OTFUVSJYCKWVSH-LBPRGKRZSA-N 1 1 234.343 1.870 20 10 BDCDMO NC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000904350060 584869202 /nfs/dbraw/zinc/86/92/02/584869202.db2.gz GQTPYJRVSCLQBF-CQSZACIVSA-N 1 1 246.354 1.839 20 10 BDCDMO CN(C)C(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000731842864 584929603 /nfs/dbraw/zinc/92/96/03/584929603.db2.gz MDNDNHXLRUHSQT-UHFFFAOYSA-N 1 1 236.315 1.302 20 10 BDCDMO C[N@@H+]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732276065 584935222 /nfs/dbraw/zinc/93/52/22/584935222.db2.gz FPIJCTPIYQOOOW-MRVPVSSYSA-N 1 1 240.328 1.278 20 10 BDCDMO C[N@H+]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732276065 584935223 /nfs/dbraw/zinc/93/52/23/584935223.db2.gz FPIJCTPIYQOOOW-MRVPVSSYSA-N 1 1 240.328 1.278 20 10 BDCDMO CCN(C)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000773733717 585643030 /nfs/dbraw/zinc/64/30/30/585643030.db2.gz ZIDBEJZZFKQLBZ-UHFFFAOYSA-N 1 1 247.386 1.890 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1 ZINC000773819064 585644580 /nfs/dbraw/zinc/64/45/80/585644580.db2.gz OBLFKLCHNAKRMB-IUODEOHRSA-N 1 1 248.370 1.955 20 10 BDCDMO OC[C@]12C[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000783745335 585841463 /nfs/dbraw/zinc/84/14/63/585841463.db2.gz VTEDGKPWYDRFPN-WCQYABFASA-N 1 1 219.284 1.206 20 10 BDCDMO C[C@]1(CO)CCC[N@H+]1Cc1ccccc1O ZINC000788435846 585923302 /nfs/dbraw/zinc/92/33/02/585923302.db2.gz NNQICOACMHOXLY-CYBMUJFWSA-N 1 1 221.300 1.739 20 10 BDCDMO C[N@@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000799740421 586195705 /nfs/dbraw/zinc/19/57/05/586195705.db2.gz ZUYOHGATXDUGNP-UHFFFAOYSA-N 1 1 229.707 1.860 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000809743158 586516188 /nfs/dbraw/zinc/51/61/88/586516188.db2.gz SPONGWQQSFEFGS-QMMMGPOBSA-N 1 1 229.707 1.858 20 10 BDCDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000812778599 586583873 /nfs/dbraw/zinc/58/38/73/586583873.db2.gz MEBCEUMMSJZUFF-LBPRGKRZSA-N 1 1 239.290 1.877 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000814172644 586615639 /nfs/dbraw/zinc/61/56/39/586615639.db2.gz XOJVZOOEYSJOLE-IAZYJMLFSA-N 1 1 249.310 1.071 20 10 BDCDMO Cc1ccc([C@H](C)NCC[NH3+])c(O)c1C ZINC000817935488 586843079 /nfs/dbraw/zinc/84/30/79/586843079.db2.gz WVBUEESJLPXQCA-JTQLQIEISA-N 1 1 208.305 1.618 20 10 BDCDMO CC[C@@H]([NH2+]CCNC)c1ccccc1O ZINC000817952228 586848057 /nfs/dbraw/zinc/84/80/57/586848057.db2.gz OOWYECGDXMHXCP-LLVKDONJSA-N 1 1 208.305 1.652 20 10 BDCDMO C[C@@H](NCCc1ccc(N)cc1)[C@H]1CCC[NH2+]1 ZINC000817958521 586850853 /nfs/dbraw/zinc/85/08/53/586850853.db2.gz WPLYWENEEABAMI-BXUZGUMPSA-N 1 1 233.359 1.541 20 10 BDCDMO CC(C)[C@@H](N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817959135 586851909 /nfs/dbraw/zinc/85/19/09/586851909.db2.gz PODWISYSHDBUES-NWDGAFQWSA-N 1 1 234.343 1.952 20 10 BDCDMO C[C@@H](NCC1C[NH2+]C1)c1cc(F)ccc1O ZINC000817964938 586854051 /nfs/dbraw/zinc/85/40/51/586854051.db2.gz JUOILRQNKSLOLU-MRVPVSSYSA-N 1 1 224.279 1.401 20 10 BDCDMO COc1ccc(O)c([C@@H](C)N[C@H](C)C[NH3+])c1 ZINC000817966265 586854895 /nfs/dbraw/zinc/85/48/95/586854895.db2.gz JXHWLARLVXZPLP-RKDXNWHRSA-N 1 1 224.304 1.399 20 10 BDCDMO C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817966165 586855540 /nfs/dbraw/zinc/85/55/40/586855540.db2.gz HSBGQOJGUUCJRH-SFYZADRCSA-N 1 1 239.275 1.298 20 10 BDCDMO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N)c(O)c1 ZINC000817972747 586859461 /nfs/dbraw/zinc/85/94/61/586859461.db2.gz OHQSCDVPTLQXCD-UWVGGRQHSA-N 1 1 208.305 1.698 20 10 BDCDMO Oc1cccc2c1[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000817977857 586861625 /nfs/dbraw/zinc/86/16/25/586861625.db2.gz QRFQEIQFPYKSDP-DEKYYXRVSA-N 1 1 230.311 1.187 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1O ZINC000824533277 587273487 /nfs/dbraw/zinc/27/34/87/587273487.db2.gz COGCNRULADXUIM-NSHDSACASA-N 1 1 227.279 1.734 20 10 BDCDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1O ZINC000825104422 587304883 /nfs/dbraw/zinc/30/48/83/587304883.db2.gz WPZVEHSJRPGVEZ-MWLCHTKSSA-N 1 1 207.273 1.347 20 10 BDCDMO Cc1ccc(O)c(CN2CCc3n[nH]nc3C2)c1 ZINC000827884961 587407802 /nfs/dbraw/zinc/40/78/02/587407802.db2.gz MMYOEFSLPUPJEF-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000827884961 587407803 /nfs/dbraw/zinc/40/78/03/587407803.db2.gz MMYOEFSLPUPJEF-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000827884961 587407804 /nfs/dbraw/zinc/40/78/04/587407804.db2.gz MMYOEFSLPUPJEF-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@H](N)[C@@H]2C)c1O ZINC000841024113 587935344 /nfs/dbraw/zinc/93/53/44/587935344.db2.gz IKDDESNDCWEDCM-JQWIXIFHSA-N 1 1 220.316 1.622 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H](N)[C@@H]2C)c1O ZINC000841024113 587935345 /nfs/dbraw/zinc/93/53/45/587935345.db2.gz IKDDESNDCWEDCM-JQWIXIFHSA-N 1 1 220.316 1.622 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](N)[C@@H]2C)cc1C ZINC000841024992 587935442 /nfs/dbraw/zinc/93/54/42/587935442.db2.gz WPJUTJUEXYRNES-AAEUAGOBSA-N 1 1 234.343 1.931 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](N)[C@@H]2C)cc1C ZINC000841024992 587935444 /nfs/dbraw/zinc/93/54/44/587935444.db2.gz WPJUTJUEXYRNES-AAEUAGOBSA-N 1 1 234.343 1.931 20 10 BDCDMO Cc1cc(N(C)C)ccc1CN[C@@H](C[NH3+])C1CC1 ZINC000841028251 587935965 /nfs/dbraw/zinc/93/59/65/587935965.db2.gz NSBRQYUTODJVOT-HNNXBMFYSA-N 1 1 247.386 1.888 20 10 BDCDMO Cc1cccc(C[NH2+][C@@H]2CCCNC2)c1O ZINC000841041672 587938282 /nfs/dbraw/zinc/93/82/82/587938282.db2.gz DIYYBWKVBKNBDE-GFCCVEGCSA-N 1 1 220.316 1.542 20 10 BDCDMO [NH3+]CC(F)(F)CNCc1ccc2c(c1)CCO2 ZINC000841059963 587941388 /nfs/dbraw/zinc/94/13/88/587941388.db2.gz OMWLIPDEHFFPBW-UHFFFAOYSA-N 1 1 242.269 1.305 20 10 BDCDMO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](C)N)cc1C ZINC000841076216 587944133 /nfs/dbraw/zinc/94/41/33/587944133.db2.gz CFHDZYPTDWVHOG-QWRGUYRKSA-N 1 1 222.332 1.834 20 10 BDCDMO Cc1cc(O)c(CN[C@@H](C)[C@H](C)[NH3+])cc1C ZINC000841076216 587944135 /nfs/dbraw/zinc/94/41/35/587944135.db2.gz CFHDZYPTDWVHOG-QWRGUYRKSA-N 1 1 222.332 1.834 20 10 BDCDMO CCOc1cccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841077123 587944374 /nfs/dbraw/zinc/94/43/74/587944374.db2.gz AEMOYXWWBCJWCY-PJXYFTJBSA-N 1 1 248.326 1.098 20 10 BDCDMO CN(CC[NH3+])Cc1cccc(Cl)c1O ZINC000841100187 587946374 /nfs/dbraw/zinc/94/63/74/587946374.db2.gz FSJZCPJVOSYWBD-UHFFFAOYSA-N 1 1 214.696 1.436 20 10 BDCDMO [NH3+][C@H]1CCCN(Cc2cccc(Cl)c2O)C1 ZINC000843043968 588076372 /nfs/dbraw/zinc/07/63/72/588076372.db2.gz RIZCZEWEHFCOKE-JTQLQIEISA-N 1 1 240.734 1.969 20 10 BDCDMO C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058756 588077622 /nfs/dbraw/zinc/07/76/22/588077622.db2.gz XNTFKSGCMNVVJB-VHSXEESVSA-N 1 1 238.306 1.700 20 10 BDCDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058048 588077904 /nfs/dbraw/zinc/07/79/04/588077904.db2.gz NZRRFYRTVYDVOW-ZJUUUORDSA-N 1 1 238.306 1.700 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](C)NC[C@H]2C)c1O ZINC000843120112 588083797 /nfs/dbraw/zinc/08/37/97/588083797.db2.gz XVAXHMUNUWWCIZ-NWDGAFQWSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H](C)NC[C@H]2C)c1O ZINC000843120112 588083799 /nfs/dbraw/zinc/08/37/99/588083799.db2.gz XVAXHMUNUWWCIZ-NWDGAFQWSA-N 1 1 234.343 1.883 20 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CC[C@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H]1O ZINC000876814353 590245678 /nfs/dbraw/zinc/24/56/78/590245678.db2.gz DZQCRRINBWYFHW-SMDDNHRTSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC000877461307 590331276 /nfs/dbraw/zinc/33/12/76/590331276.db2.gz DKKGRLHHCVWKEH-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC000877461307 590331278 /nfs/dbraw/zinc/33/12/78/590331278.db2.gz DKKGRLHHCVWKEH-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(O)c1 ZINC000877482853 590338045 /nfs/dbraw/zinc/33/80/45/590338045.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 1 1 246.354 1.694 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(O)c1 ZINC000877482853 590338047 /nfs/dbraw/zinc/33/80/47/590338047.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 1 1 246.354 1.694 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877485761 590339164 /nfs/dbraw/zinc/33/91/64/590339164.db2.gz GHVFELUUMLFOQX-CYBMUJFWSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000877500839 590341985 /nfs/dbraw/zinc/34/19/85/590341985.db2.gz DTBBWEZTYAFJQM-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO CN(C)c1ccc(C[NH+]2CC(C)(O)C2)cc1 ZINC000877581015 590366197 /nfs/dbraw/zinc/36/61/97/590366197.db2.gz KULUWRRQJRONCT-UHFFFAOYSA-N 1 1 220.316 1.319 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC2(COC2)C1 ZINC000877639197 590381567 /nfs/dbraw/zinc/38/15/67/590381567.db2.gz XVUVCSYCQKBFKT-UHFFFAOYSA-N 1 1 233.311 1.923 20 10 BDCDMO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3O)CC[C@H]21 ZINC000877742725 590407970 /nfs/dbraw/zinc/40/79/70/590407970.db2.gz GCUHFCBXDZEHPR-TZMCWYRMSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccccc3O)CC[C@H]21 ZINC000877742725 590407971 /nfs/dbraw/zinc/40/79/71/590407971.db2.gz GCUHFCBXDZEHPR-TZMCWYRMSA-N 1 1 246.354 1.918 20 10 BDCDMO CCN(C#N)CC[N@@H+](C)Cc1ccccc1O ZINC000878241936 590528644 /nfs/dbraw/zinc/52/86/44/590528644.db2.gz KSFTVEZHAPQKOZ-UHFFFAOYSA-N 1 1 233.315 1.627 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880419994 591028559 /nfs/dbraw/zinc/02/85/59/591028559.db2.gz VKXGUSVDAHKMIH-TZMCWYRMSA-N 1 1 232.327 1.319 20 10 BDCDMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC000211633382 591208734 /nfs/dbraw/zinc/20/87/34/591208734.db2.gz IHCNKIPXRWHITO-LBPRGKRZSA-N 1 1 246.310 1.199 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)F ZINC000886064865 592141698 /nfs/dbraw/zinc/14/16/98/592141698.db2.gz KDPAYUFCLGENJN-GFCCVEGCSA-N 1 1 245.269 1.840 20 10 BDCDMO CC[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886489735 592235661 /nfs/dbraw/zinc/23/56/61/592235661.db2.gz POEJCEFRAIURLA-IUCAKERBSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@H](CC(N)=O)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886543168 592255857 /nfs/dbraw/zinc/25/58/57/592255857.db2.gz LIVPPSBYLVVUBP-HTQZYQBOSA-N 1 1 240.278 1.446 20 10 BDCDMO COc1cccc(C[N@@H+]2CC[C@@H](OC)C2)c1O ZINC000300045703 592501821 /nfs/dbraw/zinc/50/18/21/592501821.db2.gz NOLGFFDUJIMXRJ-LLVKDONJSA-N 1 1 237.299 1.622 20 10 BDCDMO C[C@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1[NH3+] ZINC000300417485 592511825 /nfs/dbraw/zinc/51/18/25/592511825.db2.gz VKQVLPSAKUBEOS-JOYOIKCWSA-N 1 1 238.306 1.700 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]2CO)cc1 ZINC000934014719 631587143 /nfs/dbraw/zinc/58/71/43/631587143.db2.gz NZZMRLSJGGEPKB-ZDUSSCGKSA-N 1 1 220.316 1.319 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](N)[C@@H]2C)c1 ZINC000309170835 632658809 /nfs/dbraw/zinc/65/88/09/632658809.db2.gz AJKIDMNFTRWXLI-JQWIXIFHSA-N 1 1 220.316 1.622 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N)[C@@H]2C)c1 ZINC000309170835 632658813 /nfs/dbraw/zinc/65/88/13/632658813.db2.gz AJKIDMNFTRWXLI-JQWIXIFHSA-N 1 1 220.316 1.622 20 10 BDCDMO [NH3+][C@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000309379693 632994714 /nfs/dbraw/zinc/99/47/14/632994714.db2.gz RISQPMGNWVLGIX-VIFPVBQESA-N 1 1 226.707 1.579 20 10 BDCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000309547709 633951071 /nfs/dbraw/zinc/95/10/71/633951071.db2.gz DWULZRQKKPFUHO-GHMZBOCLSA-N 1 1 225.263 1.534 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC000191182633 634206904 /nfs/dbraw/zinc/20/69/04/634206904.db2.gz CYVDFJJFHIDGLN-JOYOIKCWSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]([NH2+]CCCON)c1ccc(F)cc1O ZINC000902425915 637305649 /nfs/dbraw/zinc/30/56/49/637305649.db2.gz PFMZOBLAIYMRNF-QMMMGPOBSA-N 1 1 228.267 1.462 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000305205685 642647983 /nfs/dbraw/zinc/64/79/83/642647983.db2.gz ODXCSSBRXNCKBN-LBPRGKRZSA-N 1 1 235.327 1.905 20 10 BDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000305730308 642683779 /nfs/dbraw/zinc/68/37/79/642683779.db2.gz LCANGIFNLCIULO-LLVKDONJSA-N 1 1 237.299 1.358 20 10 BDCDMO COc1ccc(CNC2CC[NH2+]CC2)cc1C ZINC000084529857 643666177 /nfs/dbraw/zinc/66/61/77/643666177.db2.gz QRUIGOGKIRKQOJ-UHFFFAOYSA-N 1 1 234.343 1.845 20 10 BDCDMO Oc1ccccc1C[NH2+]Cc1ccon1 ZINC000086452734 644139085 /nfs/dbraw/zinc/13/90/85/644139085.db2.gz AQGMKYUIFXACBR-UHFFFAOYSA-N 1 1 204.229 1.670 20 10 BDCDMO Cc1cc(C[N@@H+]2CCC[C@H]2CN)ccc1N(C)C ZINC000923291048 644326856 /nfs/dbraw/zinc/32/68/56/644326856.db2.gz AEQPCPQFPBSMKI-AWEZNQCLSA-N 1 1 247.386 1.984 20 10 BDCDMO Cc1cc(C[N@H+]2CCC[C@H]2CN)ccc1N(C)C ZINC000923291048 644326859 /nfs/dbraw/zinc/32/68/59/644326859.db2.gz AEQPCPQFPBSMKI-AWEZNQCLSA-N 1 1 247.386 1.984 20 10 BDCDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1O ZINC000824637840 645056674 /nfs/dbraw/zinc/05/66/74/645056674.db2.gz ZYVTXMJWVWEXKQ-QWHCGFSZSA-N 1 1 235.327 1.985 20 10 BDCDMO CCOC(=O)/C=C/C[N@@H+](C)Cc1ccccc1O ZINC000929973196 646382377 /nfs/dbraw/zinc/38/23/77/646382377.db2.gz XZYYQFCNCNMORC-RMKNXTFCSA-N 1 1 249.310 1.943 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)CCN1 ZINC000083813944 711810371 /nfs/dbraw/zinc/81/03/71/711810371.db2.gz DDUVRVQHSFRSIB-SNVBAGLBSA-N 1 1 206.289 1.186 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1 ZINC000083813944 711810372 /nfs/dbraw/zinc/81/03/72/711810372.db2.gz DDUVRVQHSFRSIB-SNVBAGLBSA-N 1 1 206.289 1.186 20 10 BDCDMO Cc1cccc(C[N@@H+](C)[C@@H](C)CN)c1O ZINC000381714513 710682980 /nfs/dbraw/zinc/68/29/80/710682980.db2.gz KVGCRVPACSWWBR-JTQLQIEISA-N 1 1 208.305 1.480 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCNC(C)(C)C2)c1 ZINC000396061158 711219918 /nfs/dbraw/zinc/21/99/18/711219918.db2.gz JYPLPAQJUJSJMP-UHFFFAOYSA-N 1 1 234.343 1.884 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCNC(C)(C)C2)c1 ZINC000396061158 711219920 /nfs/dbraw/zinc/21/99/20/711219920.db2.gz JYPLPAQJUJSJMP-UHFFFAOYSA-N 1 1 234.343 1.884 20 10 BDCDMO COCC(COC)[N@@H+](C)Cc1ccccc1O ZINC000702105708 712038574 /nfs/dbraw/zinc/03/85/74/712038574.db2.gz ABJIGTOXECCNCT-UHFFFAOYSA-N 1 1 239.315 1.485 20 10 BDCDMO C[S@](=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435157 712193649 /nfs/dbraw/zinc/19/36/49/712193649.db2.gz BBHOXIIODWTGFD-INIZCTEOSA-N 1 1 249.282 1.139 20 10 BDCDMO CN(CC[NH+](C)C)Cc1cc(F)cc(F)c1O ZINC000708414206 712194343 /nfs/dbraw/zinc/19/43/43/712194343.db2.gz PCUQAUVPZOWXQF-UHFFFAOYSA-N 1 1 244.285 1.664 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN[C@H](C)[C@H]2C)c1 ZINC000379473033 712385349 /nfs/dbraw/zinc/38/53/49/712385349.db2.gz UKARXLNTWNJFGE-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCN[C@H](C)[C@H]2C)c1 ZINC000379473033 712385351 /nfs/dbraw/zinc/38/53/51/712385351.db2.gz UKARXLNTWNJFGE-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCNC2=O)cc1C ZINC000758398393 712408527 /nfs/dbraw/zinc/40/85/27/712408527.db2.gz NOXJVKPWNVHYHY-GFCCVEGCSA-N 1 1 248.326 1.329 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277219 966960865 /nfs/dbraw/zinc/96/08/65/966960865.db2.gz WQKGXYQBLRPXNV-LBPRGKRZSA-N 1 1 223.272 1.055 20 10 BDCDMO COC[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC001343265369 980051078 /nfs/dbraw/zinc/05/10/78/980051078.db2.gz FKMJIOLMGJNKBQ-MRVPVSSYSA-N 1 1 213.252 1.656 20 10 BDCDMO OC[C@]1(F)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155969 960408671 /nfs/dbraw/zinc/40/86/71/960408671.db2.gz CFHSYSGMBHIFFR-LBPRGKRZSA-N 1 1 241.262 1.004 20 10 BDCDMO OC[C@]1(F)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141155969 960408681 /nfs/dbraw/zinc/40/86/81/960408681.db2.gz CFHSYSGMBHIFFR-LBPRGKRZSA-N 1 1 241.262 1.004 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001140617505 960459236 /nfs/dbraw/zinc/45/92/36/960459236.db2.gz RUXSVCZKMHJNIZ-DGCLKSJQSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](F)C2)c1O ZINC001140743898 960546349 /nfs/dbraw/zinc/54/63/49/960546349.db2.gz DMVCRLXHWBJCHL-SNVBAGLBSA-N 1 1 225.263 1.950 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCCC23COC3)c1O ZINC001140745893 960549961 /nfs/dbraw/zinc/54/99/61/960549961.db2.gz PCONHCLLSIKJOL-UHFFFAOYSA-N 1 1 249.310 1.771 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1O ZINC000092455612 960808017 /nfs/dbraw/zinc/80/80/17/960808017.db2.gz UVXWVXVMHMDCPS-JTQLQIEISA-N 1 1 223.272 1.055 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156304 960890450 /nfs/dbraw/zinc/89/04/50/960890450.db2.gz JCKJZSJQEAZDKD-LBPRGKRZSA-N 1 1 223.272 1.055 20 10 BDCDMO CC1(C)COCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159857 960894177 /nfs/dbraw/zinc/89/41/77/960894177.db2.gz MWRBOTFEFQTQAU-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO CC1(C)COCC[N@H+]1Cc1cc(O)ccc1O ZINC001141159857 960894182 /nfs/dbraw/zinc/89/41/82/960894182.db2.gz MWRBOTFEFQTQAU-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO Oc1ccc(O)c(C[N@H+](C2CC2)C2COC2)c1 ZINC001141160999 960896031 /nfs/dbraw/zinc/89/60/31/960896031.db2.gz MNRKNUIEMUTELN-UHFFFAOYSA-N 1 1 235.283 1.461 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+](C2CC2)C2COC2)c1 ZINC001141160999 960896036 /nfs/dbraw/zinc/89/60/36/960896036.db2.gz MNRKNUIEMUTELN-UHFFFAOYSA-N 1 1 235.283 1.461 20 10 BDCDMO C[C@]1(O)CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160236 960897215 /nfs/dbraw/zinc/89/72/15/960897215.db2.gz UQAUYHAWVKQWAL-ZDUSSCGKSA-N 1 1 237.299 1.445 20 10 BDCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001141160453 960897782 /nfs/dbraw/zinc/89/77/82/960897782.db2.gz YWMXOXJSXMRJTD-TXEJJXNPSA-N 1 1 248.326 1.376 20 10 BDCDMO 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Oc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1O ZINC001203874497 966793281 /nfs/dbraw/zinc/79/32/81/966793281.db2.gz AADXPWFYVCDXMY-CABZTGNLSA-N 1 1 241.262 1.003 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)cc1O ZINC001203874497 966793291 /nfs/dbraw/zinc/79/32/91/966793291.db2.gz AADXPWFYVCDXMY-CABZTGNLSA-N 1 1 241.262 1.003 20 10 BDCDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001203878907 966805900 /nfs/dbraw/zinc/80/59/00/966805900.db2.gz YESFJFDTHJQJFZ-PHIMTYICSA-N 1 1 247.294 1.794 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1O ZINC001203876052 966806659 /nfs/dbraw/zinc/80/66/59/966806659.db2.gz ZZRZTMACERZEII-RNCFNFMXSA-N 1 1 237.299 1.301 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1O ZINC001203875299 966807179 /nfs/dbraw/zinc/80/71/79/966807179.db2.gz KMKYDWJQKLGXHM-LLVKDONJSA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1O ZINC001203880558 966808261 /nfs/dbraw/zinc/80/82/61/966808261.db2.gz VLUQTLYETIABGL-SMDDNHRTSA-N 1 1 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XFVFHKAPEZKSJS-LLVKDONJSA-N 1 1 237.299 1.622 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000279961763 386760489 /nfs/dbraw/zinc/76/04/89/386760489.db2.gz YJFPGJDNGOMTBR-AWEZNQCLSA-N 1 1 248.370 1.955 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cc(OC)ccc1O ZINC000293585910 386843554 /nfs/dbraw/zinc/84/35/54/386843554.db2.gz ICNWFWMVDVYCEI-NSHDSACASA-N 1 1 237.299 1.622 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000293616198 386849434 /nfs/dbraw/zinc/84/94/34/386849434.db2.gz KKPRLOWAGCQPFS-SNVBAGLBSA-N 1 1 225.263 1.752 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1cccc(F)c1O ZINC000293616198 386849442 /nfs/dbraw/zinc/84/94/42/386849442.db2.gz KKPRLOWAGCQPFS-SNVBAGLBSA-N 1 1 225.263 1.752 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000372353266 387294261 /nfs/dbraw/zinc/29/42/61/387294261.db2.gz DKBWLDZPMAMPDY-CYBMUJFWSA-N 1 1 233.311 1.657 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)CCC(N)=O)c1 ZINC000289199580 389042458 /nfs/dbraw/zinc/04/24/58/389042458.db2.gz BINAOBYEHDDAMC-UHFFFAOYSA-N 1 1 222.288 1.008 20 10 BDCDMO COC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000179946260 397854511 /nfs/dbraw/zinc/85/45/11/397854511.db2.gz XPYAMPIHHQYYAI-SECBINFHSA-N 1 1 227.279 1.998 20 10 BDCDMO C[NH2+]CCCNCc1ccc2c(c1)CCO2 ZINC000083350563 173349851 /nfs/dbraw/zinc/34/98/51/173349851.db2.gz AGPRXZIPTSYIAV-UHFFFAOYSA-N 1 1 220.316 1.321 20 10 BDCDMO COc1cccc(C[N@@H+](CCO)C2CC2)c1O ZINC000271083880 175257331 /nfs/dbraw/zinc/25/73/31/175257331.db2.gz SKCDWZSZYHDQCH-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO COc1cccc(C[N@@H+]2CCOC[C@H]2C)c1O ZINC000132173858 175260711 /nfs/dbraw/zinc/26/07/11/175260711.db2.gz ZGESUGDWMWFXLE-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1cccc(C[N@H+]2CCOC[C@H]2C)c1O ZINC000132173858 175260712 /nfs/dbraw/zinc/26/07/12/175260712.db2.gz ZGESUGDWMWFXLE-SNVBAGLBSA-N 1 1 237.299 1.622 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC000022145276 176304873 /nfs/dbraw/zinc/30/48/73/176304873.db2.gz KDMDLLJWRQXWLR-SNVBAGLBSA-N 1 1 206.289 1.490 20 10 BDCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000134735118 177009914 /nfs/dbraw/zinc/00/99/14/177009914.db2.gz AKKCRFDCTQIEJJ-WDEREUQCSA-N 1 1 221.300 1.595 20 10 BDCDMO C[C@H](O)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272563943 177016283 /nfs/dbraw/zinc/01/62/83/177016283.db2.gz UPMMXWOCEMFTKH-UWVGGRQHSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272563943 177016285 /nfs/dbraw/zinc/01/62/85/177016285.db2.gz UPMMXWOCEMFTKH-UWVGGRQHSA-N 1 1 239.290 1.734 20 10 BDCDMO CNC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000854232556 588781309 /nfs/dbraw/zinc/78/13/09/588781309.db2.gz SKNSDZOCPDTFDI-MNOVXSKESA-N 1 1 222.332 1.959 20 10 BDCDMO CC1(C)OC[C@H](C[N@H+]2Cc3cccc(O)c3C2)O1 ZINC000895785765 583727075 /nfs/dbraw/zinc/72/70/75/583727075.db2.gz SNUIURKEHQCDJQ-NSHDSACASA-N 1 1 249.310 1.859 20 10 BDCDMO COC1CC([NH2+]Cc2c(O)cccc2F)C1 ZINC000896637533 583819849 /nfs/dbraw/zinc/81/98/49/583819849.db2.gz OMQIZEBNFWSKHZ-UHFFFAOYSA-N 1 1 225.263 1.798 20 10 BDCDMO C[C@@H]1OCC[C@H]1[NH2+]Cc1c(O)cccc1F ZINC000896638502 583819923 /nfs/dbraw/zinc/81/99/23/583819923.db2.gz VLCSYLSFEQWZPQ-GZMMTYOYSA-N 1 1 225.263 1.798 20 10 BDCDMO C[C@@H]([NH2+]C[C@H]1CCN1C)c1c(O)cccc1F ZINC000903316346 584749497 /nfs/dbraw/zinc/74/94/97/584749497.db2.gz OCHASULLHVTJEC-NXEZZACHSA-N 1 1 238.306 1.886 20 10 BDCDMO Cn1cc(CC[N@@H+](C)Cc2ccccc2O)nn1 ZINC000859188987 589016523 /nfs/dbraw/zinc/01/65/23/589016523.db2.gz IUGPCXRRLUFOHK-UHFFFAOYSA-N 1 1 246.314 1.195 20 10 BDCDMO COc1cccc(O)c1C[NH2+]Cc1ccn(C)n1 ZINC000765790864 585492934 /nfs/dbraw/zinc/49/29/34/585492934.db2.gz NUFQEMHZFAUQIK-UHFFFAOYSA-N 1 1 247.298 1.424 20 10 BDCDMO CCC[N@@H+](CCO)Cc1c(O)cccc1OC ZINC000768174176 585533365 /nfs/dbraw/zinc/53/33/65/585533365.db2.gz ICQHHBYBHJMREC-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2O)CCN1C ZINC000775985865 585688147 /nfs/dbraw/zinc/68/81/47/585688147.db2.gz PGZKXTOGCMQLMF-VXGBXAGGSA-N 1 1 234.343 1.917 20 10 BDCDMO Oc1cc2c(cc1C[N@@H+]1CC=CCC1)[C@@H](O)CO2 ZINC000778577629 585737661 /nfs/dbraw/zinc/73/76/61/585737661.db2.gz SZGULQGNLDKSOB-ZDUSSCGKSA-N 1 1 247.294 1.580 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000779017784 585743667 /nfs/dbraw/zinc/74/36/67/585743667.db2.gz BPRBOSGAYIALEO-UHFFFAOYSA-N 1 1 229.283 1.674 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000779017784 585743668 /nfs/dbraw/zinc/74/36/68/585743668.db2.gz BPRBOSGAYIALEO-UHFFFAOYSA-N 1 1 229.283 1.674 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783744654 585841861 /nfs/dbraw/zinc/84/18/61/585841861.db2.gz SXYJTZBFYABHGH-OCCSQVGLSA-N 1 1 233.311 1.515 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788266743 585920065 /nfs/dbraw/zinc/92/00/65/585920065.db2.gz BIEMVSZAHQVWEI-PWSUYJOCSA-N 1 1 221.300 1.656 20 10 BDCDMO COc1cccc(C[N@@H+]2CCOCC23CC3)c1O ZINC000802658896 586309079 /nfs/dbraw/zinc/30/90/79/586309079.db2.gz UFWVQRXDLZMXFY-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1cccc(C[N@H+]2CCOCC23CC3)c1O ZINC000802658896 586309081 /nfs/dbraw/zinc/30/90/81/586309081.db2.gz UFWVQRXDLZMXFY-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000816647977 586749862 /nfs/dbraw/zinc/74/98/62/586749862.db2.gz BNZVJOYIFQIKHK-DTWKUNHWSA-N 1 1 235.283 1.961 20 10 BDCDMO Cc1ccc([C@@H](C)NCC[NH3+])c(O)c1C ZINC000817935490 586841959 /nfs/dbraw/zinc/84/19/59/586841959.db2.gz WVBUEESJLPXQCA-SNVBAGLBSA-N 1 1 208.305 1.618 20 10 BDCDMO CC[C@@H](NCC[NH3+])c1ccc(N(C)C)cc1 ZINC000817934248 586843333 /nfs/dbraw/zinc/84/33/33/586843333.db2.gz DWIHTKAOLIIZTG-CYBMUJFWSA-N 1 1 221.348 1.752 20 10 BDCDMO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCc2cccc(O)c21 ZINC000817969219 586856774 /nfs/dbraw/zinc/85/67/74/586856774.db2.gz SDFDXCQHKTUGKH-WXHSDQCUSA-N 1 1 246.354 1.967 20 10 BDCDMO CC[C@H]([NH2+]C[C@H](C)N)c1ccccc1O ZINC000817974006 586860066 /nfs/dbraw/zinc/86/00/66/586860066.db2.gz XIPRRAVLJKVWCY-ONGXEEELSA-N 1 1 208.305 1.780 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c1O ZINC000824893446 587292108 /nfs/dbraw/zinc/29/21/08/587292108.db2.gz SBZRROFEGWBXNF-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1cccc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1O ZINC000824893446 587292111 /nfs/dbraw/zinc/29/21/11/587292111.db2.gz SBZRROFEGWBXNF-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1cccc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1O ZINC000824893446 587292112 /nfs/dbraw/zinc/29/21/12/587292112.db2.gz SBZRROFEGWBXNF-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC3(COC3)C2)c1 ZINC000827643019 587393840 /nfs/dbraw/zinc/39/38/40/587393840.db2.gz DQNFIVFZTWNYSR-UHFFFAOYSA-N 1 1 233.311 1.923 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCc2nccnc2C1 ZINC000827692990 587396783 /nfs/dbraw/zinc/39/67/83/587396783.db2.gz UZPSMBOMNSCZSN-UHFFFAOYSA-N 1 1 241.294 1.741 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCc2nccnc2C1 ZINC000827692990 587396785 /nfs/dbraw/zinc/39/67/85/587396785.db2.gz UZPSMBOMNSCZSN-UHFFFAOYSA-N 1 1 241.294 1.741 20 10 BDCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CCO)cc1 ZINC000835025729 587779131 /nfs/dbraw/zinc/77/91/31/587779131.db2.gz MBASIFUYBRFAGL-PLNGDYQASA-N 1 1 234.343 1.690 20 10 BDCDMO [NH3+][C@@H](CNCc1ccccc1O)C1CC1 ZINC000841050654 587935273 /nfs/dbraw/zinc/93/52/73/587935273.db2.gz RQGWAYCEVQBBLD-NSHDSACASA-N 1 1 206.289 1.219 20 10 BDCDMO N[C@@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000841050654 587935274 /nfs/dbraw/zinc/93/52/74/587935274.db2.gz RQGWAYCEVQBBLD-NSHDSACASA-N 1 1 206.289 1.219 20 10 BDCDMO Cc1cccc(C[NH2+]C[C@@H](N)C(C)C)c1O ZINC000841031020 587936072 /nfs/dbraw/zinc/93/60/72/587936072.db2.gz QWKKRAHVTBSCSK-GFCCVEGCSA-N 1 1 222.332 1.774 20 10 BDCDMO Cc1cccc(CNC[C@@H]([NH3+])C(C)C)c1O ZINC000841031020 587936074 /nfs/dbraw/zinc/93/60/74/587936074.db2.gz QWKKRAHVTBSCSK-GFCCVEGCSA-N 1 1 222.332 1.774 20 10 BDCDMO C[C@H](C[NH3+])C[NH2+]Cc1c([O-])cccc1Cl ZINC000841049157 587939853 /nfs/dbraw/zinc/93/98/53/587939853.db2.gz NRUSLVXXYPEHME-MRVPVSSYSA-N 1 1 228.723 1.730 20 10 BDCDMO CN(C)c1ccc(CNCC(F)(F)C[NH3+])cc1 ZINC000841059433 587940453 /nfs/dbraw/zinc/94/04/53/587940453.db2.gz DANQUXPVDXRMON-UHFFFAOYSA-N 1 1 243.301 1.436 20 10 BDCDMO COc1cccc(CNCC(F)(F)C[NH3+])c1O ZINC000841059309 587940759 /nfs/dbraw/zinc/94/07/59/587940759.db2.gz APQYDDQPIULBIQ-UHFFFAOYSA-N 1 1 246.257 1.084 20 10 BDCDMO Cc1cccc(C[N@H+]2CCNC[C@@H]2C)c1O ZINC000843047822 588075795 /nfs/dbraw/zinc/07/57/95/588075795.db2.gz XEVWUVNRSUHHCQ-NSHDSACASA-N 1 1 220.316 1.494 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCNC[C@@H]2C)c1O ZINC000843047822 588075797 /nfs/dbraw/zinc/07/57/97/588075797.db2.gz XEVWUVNRSUHHCQ-NSHDSACASA-N 1 1 220.316 1.494 20 10 BDCDMO [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048363 588076292 /nfs/dbraw/zinc/07/62/92/588076292.db2.gz MCUKPSGZWIGNTN-SECBINFHSA-N 1 1 224.279 1.312 20 10 BDCDMO C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843053365 588076972 /nfs/dbraw/zinc/07/69/72/588076972.db2.gz XZYFYXWZAICXCT-JTQLQIEISA-N 1 1 238.306 1.573 20 10 BDCDMO CCOc1ccc(O)c(CN(C)CCC[NH3+])c1 ZINC000843051275 588077153 /nfs/dbraw/zinc/07/71/53/588077153.db2.gz VXNIUAPKZBKXJI-UHFFFAOYSA-N 1 1 238.331 1.572 20 10 BDCDMO C[C@H](CCO)[N@@H+](C)Cc1cc(F)ccc1O ZINC000846111579 588257339 /nfs/dbraw/zinc/25/73/39/588257339.db2.gz QVZWXEBWHZCBNT-SECBINFHSA-N 1 1 227.279 1.734 20 10 BDCDMO CCc1cccc(C[NH+]2CC(OC)C2)c1O ZINC000848915549 588420356 /nfs/dbraw/zinc/42/03/56/588420356.db2.gz XJZWFXMNFQEAIA-UHFFFAOYSA-N 1 1 221.300 1.785 20 10 BDCDMO C[N@@H+](Cc1cncnc1)Cc1ccccc1O ZINC000120027578 589357808 /nfs/dbraw/zinc/35/78/08/589357808.db2.gz JTMMOTWMYRLLIM-UHFFFAOYSA-N 1 1 229.283 1.814 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC000876509728 590204891 /nfs/dbraw/zinc/20/48/91/590204891.db2.gz HBHPYACLTUKSBM-GFCCVEGCSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000876511359 590205280 /nfs/dbraw/zinc/20/52/80/590205280.db2.gz GJFVXAIJRKAFJK-LLVKDONJSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CO)C1 ZINC000876510396 590205395 /nfs/dbraw/zinc/20/53/95/590205395.db2.gz UXCBGUKERKCISX-LBPRGKRZSA-N 1 1 235.327 1.905 20 10 BDCDMO CC[NH+]1CCN(Cc2c(C)cccc2O)CC1 ZINC000876524686 590208662 /nfs/dbraw/zinc/20/86/62/590208662.db2.gz VPNUKLOIZVWFRH-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000876556871 590215926 /nfs/dbraw/zinc/21/59/26/590215926.db2.gz WTLOSSJULYWVPF-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCCOCC1 ZINC000876618542 590222223 /nfs/dbraw/zinc/22/22/23/590222223.db2.gz YMMYWXOVVXCAKY-UHFFFAOYSA-N 1 1 221.300 1.923 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCNC(=O)CC1 ZINC000876691197 590230981 /nfs/dbraw/zinc/23/09/81/590230981.db2.gz DPZZPHWFRGYFJI-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CC[C@@H](C)O ZINC000876745423 590235756 /nfs/dbraw/zinc/23/57/56/590235756.db2.gz HJSJSPZZEVFYLF-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1ccc(C[N@H+](C)CC[C@@H](C)O)c(O)c1 ZINC000876744762 590235963 /nfs/dbraw/zinc/23/59/63/590235963.db2.gz AQSVVNQBQSCULK-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000877184002 590298400 /nfs/dbraw/zinc/29/84/00/590298400.db2.gz JYSGMWKGCRDJID-NWDGAFQWSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000877503307 590343206 /nfs/dbraw/zinc/34/32/06/590343206.db2.gz ILBYFNFCOGHCJM-TXEJJXNPSA-N 1 1 249.310 1.300 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000877527724 590349165 /nfs/dbraw/zinc/34/91/65/590349165.db2.gz OFYHAAKNGPOFOY-AWEZNQCLSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCn2cncc2C1 ZINC000877538751 590350629 /nfs/dbraw/zinc/35/06/29/590350629.db2.gz DDUWEIRFVXCKGZ-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c(O)c1 ZINC000877547293 590352798 /nfs/dbraw/zinc/35/27/98/590352798.db2.gz SIWYJZDPLAGJLY-TZMCWYRMSA-N 1 1 246.354 1.837 20 10 BDCDMO CCc1cccc(C[NH+]2CC(C)(O)C2)c1O ZINC000877580457 590364238 /nfs/dbraw/zinc/36/42/38/590364238.db2.gz DBEQUFPZUMFVRU-UHFFFAOYSA-N 1 1 221.300 1.521 20 10 BDCDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877614965 590374236 /nfs/dbraw/zinc/37/42/36/590374236.db2.gz KURHVEYOEZASST-QMMMGPOBSA-N 1 1 245.269 1.873 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000877641608 590382301 /nfs/dbraw/zinc/38/23/01/590382301.db2.gz BDFLPOIFHHBWRN-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCc2nn[nH]c2C1 ZINC000877641608 590382304 /nfs/dbraw/zinc/38/23/04/590382304.db2.gz BDFLPOIFHHBWRN-UHFFFAOYSA-N 1 1 244.298 1.377 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCCN(C=O)CC1 ZINC000877642413 590382673 /nfs/dbraw/zinc/38/26/73/590382673.db2.gz KQKFYVAVLYZADD-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)c(O)c1 ZINC000877648342 590383681 /nfs/dbraw/zinc/38/36/81/590383681.db2.gz DVRZGIIFKWJZRB-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cn1cc(C[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877704005 590397581 /nfs/dbraw/zinc/39/75/81/590397581.db2.gz VVEWKAZVIGKCME-UHFFFAOYSA-N 1 1 229.283 1.642 20 10 BDCDMO Cn1cc(C[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877704005 590397583 /nfs/dbraw/zinc/39/75/83/590397583.db2.gz VVEWKAZVIGKCME-UHFFFAOYSA-N 1 1 229.283 1.642 20 10 BDCDMO CNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000132592461 591722094 /nfs/dbraw/zinc/72/20/94/591722094.db2.gz KLFBRQQTFQDWHB-UHFFFAOYSA-N 1 1 242.706 1.223 20 10 BDCDMO CNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000132592461 591722097 /nfs/dbraw/zinc/72/20/97/591722097.db2.gz KLFBRQQTFQDWHB-UHFFFAOYSA-N 1 1 242.706 1.223 20 10 BDCDMO C[NH2+]C[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000219964081 592268743 /nfs/dbraw/zinc/26/87/43/592268743.db2.gz VKKMXWZKILFJTH-JTQLQIEISA-N 1 1 238.306 1.573 20 10 BDCDMO Cn1cncc1C[NH2+]Cc1cccc(F)c1O ZINC000291706196 631834506 /nfs/dbraw/zinc/83/45/06/631834506.db2.gz ZKYMABDPXZQQCL-UHFFFAOYSA-N 1 1 235.262 1.555 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N)[C@H]2C)c1 ZINC000309170837 631923971 /nfs/dbraw/zinc/92/39/71/631923971.db2.gz AJKIDMNFTRWXLI-ZYHUDNBSSA-N 1 1 220.316 1.622 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N)[C@H]2C)c1 ZINC000309170837 631923974 /nfs/dbraw/zinc/92/39/74/631923974.db2.gz AJKIDMNFTRWXLI-ZYHUDNBSSA-N 1 1 220.316 1.622 20 10 BDCDMO C[C@@]1(C[NH3+])CCN(Cc2cc(F)ccc2O)C1 ZINC000310379971 635784540 /nfs/dbraw/zinc/78/45/40/635784540.db2.gz PIBZKIIYWGNPCA-ZDUSSCGKSA-N 1 1 238.306 1.702 20 10 BDCDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccccc1O ZINC000179558859 632744836 /nfs/dbraw/zinc/74/48/36/632744836.db2.gz ZVZBHXFMJJFVTC-CMPLNLGQSA-N 1 1 248.326 1.478 20 10 BDCDMO [NH3+][C@H]1C[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000906507777 638178890 /nfs/dbraw/zinc/17/88/90/638178890.db2.gz BVFDJBIZQAHBGP-HAQNSBGRSA-N 1 1 218.300 1.201 20 10 BDCDMO COc1ccc(CNC2CC([NH3+])C2)cc1C ZINC000906510701 638183228 /nfs/dbraw/zinc/18/32/28/638183228.db2.gz RDTKJSGDRZSYRC-UHFFFAOYSA-N 1 1 220.316 1.583 20 10 BDCDMO CN(C)c1ccc(/C=C/CN[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906517041 638188062 /nfs/dbraw/zinc/18/80/62/638188062.db2.gz CUQVXPOELARUML-YTDVACHYSA-N 1 1 245.370 1.845 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC3(C2)OCCO3)c1O ZINC000180028594 642763680 /nfs/dbraw/zinc/76/36/80/642763680.db2.gz DZODGUCXVKVSIH-UHFFFAOYSA-N 1 1 249.310 1.649 20 10 BDCDMO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320321 643201798 /nfs/dbraw/zinc/20/17/98/643201798.db2.gz PSEWQDCDKADKLK-KBPBESRZSA-N 1 1 245.370 1.404 20 10 BDCDMO Oc1cc2c(cc1C[NH2+]Cc1ncc[nH]1)OCO2 ZINC000080580888 644277507 /nfs/dbraw/zinc/27/75/07/644277507.db2.gz MFKHMPZOEGBODU-UHFFFAOYSA-N 1 1 247.254 1.134 20 10 BDCDMO C[NH2+]CCCNCc1ccc(OC)c(C)c1 ZINC000083352247 644404522 /nfs/dbraw/zinc/40/45/22/644404522.db2.gz QQUKAXNMBQTPNA-UHFFFAOYSA-N 1 1 222.332 1.703 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000249786306 644741314 /nfs/dbraw/zinc/74/13/14/644741314.db2.gz DMQRZQCTPULYJG-AAEUAGOBSA-N 1 1 235.327 1.903 20 10 BDCDMO C[C@@H](O)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816569107 644963501 /nfs/dbraw/zinc/96/35/01/644963501.db2.gz ZRBJKPAZEQMINR-SSDOTTSWSA-N 1 1 247.697 1.997 20 10 BDCDMO C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816569107 644963505 /nfs/dbraw/zinc/96/35/05/644963505.db2.gz ZRBJKPAZEQMINR-SSDOTTSWSA-N 1 1 247.697 1.997 20 10 BDCDMO Cc1cccc(C[NH2+]Cc2cnn(C)n2)c1O ZINC000389822268 711090577 /nfs/dbraw/zinc/09/05/77/711090577.db2.gz GTPMMBOBGNUJQJ-UHFFFAOYSA-N 1 1 232.287 1.119 20 10 BDCDMO Cn1cnc(CC[NH2+]Cc2cccc(F)c2O)c1 ZINC000313286078 711716649 /nfs/dbraw/zinc/71/66/49/711716649.db2.gz ULHHIEBPEPEDEH-UHFFFAOYSA-N 1 1 249.289 1.597 20 10 BDCDMO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(F)cc1O ZINC000720951342 712882365 /nfs/dbraw/zinc/88/23/65/712882365.db2.gz LHYPEMZTFMPBCY-FXPVBKGRSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccccc1O ZINC001203550270 966678632 /nfs/dbraw/zinc/67/86/32/966678632.db2.gz PAKVLHWTDABSFZ-SNVBAGLBSA-N 1 1 219.284 1.946 20 10 BDCDMO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccccc1O ZINC001203550270 966678636 /nfs/dbraw/zinc/67/86/36/966678636.db2.gz PAKVLHWTDABSFZ-SNVBAGLBSA-N 1 1 219.284 1.946 20 10 BDCDMO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccccc1O ZINC001205064154 967321456 /nfs/dbraw/zinc/32/14/56/967321456.db2.gz KDHBXARWDFCFOU-JQWIXIFHSA-N 1 1 220.316 1.704 20 10 BDCDMO C[NH2+][C@H](C)CCNCc1ccc(N)cc1 ZINC001335290456 976934515 /nfs/dbraw/zinc/93/45/15/976934515.db2.gz XQHCFUZRVFWBHK-SNVBAGLBSA-N 1 1 207.321 1.356 20 10 BDCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)CCO ZINC001236256984 979476404 /nfs/dbraw/zinc/47/64/04/979476404.db2.gz XVHSJZSHUUJEGM-UHFFFAOYSA-N 1 1 238.331 1.185 20 10 BDCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccccc1O ZINC000305748069 970787738 /nfs/dbraw/zinc/78/77/38/970787738.db2.gz UKYKTTQYKFSUHN-RYUDHWBXSA-N 1 1 235.327 1.985 20 10 BDCDMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccccc1O ZINC000305748070 970788079 /nfs/dbraw/zinc/78/80/79/970788079.db2.gz UKYKTTQYKFSUHN-VXGBXAGGSA-N 1 1 235.327 1.985 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160358951 957857697 /nfs/dbraw/zinc/85/76/97/957857697.db2.gz JUXSJYXOVZOZJU-LLVKDONJSA-N 1 1 234.299 1.150 20 10 BDCDMO Cc1c(O)ccc(CN2CC3(C2)C[NH+](C)C3)c1O ZINC001140751333 960555070 /nfs/dbraw/zinc/55/50/70/960555070.db2.gz SHYVWBYCNGJGCY-UHFFFAOYSA-N 1 1 248.326 1.154 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001140947886 960740089 /nfs/dbraw/zinc/74/00/89/960740089.db2.gz JQKLMCDKVVFYSU-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001140950899 960756794 /nfs/dbraw/zinc/75/67/94/960756794.db2.gz OIWQSCNAHLNYDI-TXEJJXNPSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001140950899 960756803 /nfs/dbraw/zinc/75/68/03/960756803.db2.gz OIWQSCNAHLNYDI-TXEJJXNPSA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1ccc(CN2CC3(C2)C[NH+](C)C3)c(O)c1 ZINC001140954827 960758681 /nfs/dbraw/zinc/75/86/81/960758681.db2.gz MNWUTPBIKHYOMC-UHFFFAOYSA-N 1 1 232.327 1.448 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001141156040 960892338 /nfs/dbraw/zinc/89/23/38/960892338.db2.gz DKMLMHFEWLLXNH-DTORHVGOSA-N 1 1 205.257 1.550 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141161166 960894418 /nfs/dbraw/zinc/89/44/18/960894418.db2.gz NMKCTPLHOGZNBJ-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO CN1CC[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141161166 960894428 /nfs/dbraw/zinc/89/44/28/960894428.db2.gz NMKCTPLHOGZNBJ-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO CN1CC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141161166 960894430 /nfs/dbraw/zinc/89/44/30/960894430.db2.gz NMKCTPLHOGZNBJ-GXFFZTMASA-N 1 1 248.326 1.234 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCN3CCC2CC3)c1 ZINC001141160938 960895924 /nfs/dbraw/zinc/89/59/24/960895924.db2.gz KCZLQEDNJCEYIX-UHFFFAOYSA-N 1 1 248.326 1.378 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCN3CCC2CC3)c1 ZINC001141160938 960895927 /nfs/dbraw/zinc/89/59/27/960895927.db2.gz KCZLQEDNJCEYIX-UHFFFAOYSA-N 1 1 248.326 1.378 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001141161814 960898785 /nfs/dbraw/zinc/89/87/85/960898785.db2.gz YXBQVBDFAXYOFT-QMTHXVAHSA-N 1 1 249.310 1.709 20 10 BDCDMO C[C@H](CC[NH2+]Cc1ccccc1O)N(C)C ZINC000697884607 964607305 /nfs/dbraw/zinc/60/73/05/964607305.db2.gz ATRVLMGKIVBHJJ-LLVKDONJSA-N 1 1 222.332 1.822 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001203550491 966680909 /nfs/dbraw/zinc/68/09/09/966680909.db2.gz VZVIWORKPTVCBF-YPMHNXCESA-N 1 1 239.290 1.687 20 10 BDCDMO C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1CO ZINC001203549899 966682980 /nfs/dbraw/zinc/68/29/80/966682980.db2.gz BWQMQDVNVRMICU-AAEUAGOBSA-N 1 1 235.327 1.985 20 10 BDCDMO CC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203561385 966688018 /nfs/dbraw/zinc/68/80/18/966688018.db2.gz UDHQNHOXBDYAMH-LLVKDONJSA-N 1 1 219.284 1.803 20 10 BDCDMO COc1cccc(CN2CC3(C2)C[NH+](C)C3)c1O ZINC001203601991 966702205 /nfs/dbraw/zinc/70/22/05/966702205.db2.gz VOWUJVDTJOJRNM-UHFFFAOYSA-N 1 1 248.326 1.148 20 10 BDCDMO COc1ccc(C[N@@H+](C)C2(C)COC2)c(O)c1 ZINC001203629258 966714062 /nfs/dbraw/zinc/71/40/62/966714062.db2.gz URCTTXBWZQGRSG-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO COCC[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203873944 966805046 /nfs/dbraw/zinc/80/50/46/966805046.db2.gz KAIPJGCPDHRPLX-UHFFFAOYSA-N 1 1 211.261 1.176 20 10 BDCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001203929440 966823973 /nfs/dbraw/zinc/82/39/73/966823973.db2.gz COVFBZLANPNBLR-QWHCGFSZSA-N 1 1 238.306 1.267 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001203929440 966823981 /nfs/dbraw/zinc/82/39/81/966823981.db2.gz COVFBZLANPNBLR-QWHCGFSZSA-N 1 1 238.306 1.267 20 10 BDCDMO C[N@@H+](Cc1ccc(O)cc1O)CC1(C)COC1 ZINC001204275715 966951089 /nfs/dbraw/zinc/95/10/89/966951089.db2.gz YKSBFJKOEPCVTE-UHFFFAOYSA-N 1 1 237.299 1.566 20 10 BDCDMO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204272936 966952495 /nfs/dbraw/zinc/95/24/95/966952495.db2.gz VFATVHNKFAQSRG-VIFPVBQESA-N 1 1 235.283 1.509 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204272936 966952502 /nfs/dbraw/zinc/95/25/02/966952502.db2.gz VFATVHNKFAQSRG-VIFPVBQESA-N 1 1 235.283 1.509 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001204272011 966954185 /nfs/dbraw/zinc/95/41/85/966954185.db2.gz GQAZKYLDDPTKAV-ZYHUDNBSSA-N 1 1 241.262 1.003 20 10 BDCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)cc1O ZINC001204279444 966958037 /nfs/dbraw/zinc/95/80/37/966958037.db2.gz ZDWXZNYLSLKSOK-TXEJJXNPSA-N 1 1 248.326 1.376 20 10 BDCDMO CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204279444 966958040 /nfs/dbraw/zinc/95/80/40/966958040.db2.gz ZDWXZNYLSLKSOK-TXEJJXNPSA-N 1 1 248.326 1.376 20 10 BDCDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001204279444 966958042 /nfs/dbraw/zinc/95/80/42/966958042.db2.gz ZDWXZNYLSLKSOK-TXEJJXNPSA-N 1 1 248.326 1.376 20 10 BDCDMO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(N)cc2)C1 ZINC001205840971 967848496 /nfs/dbraw/zinc/84/84/96/967848496.db2.gz JDYQNCPXRUVPNP-SMDDNHRTSA-N 1 1 233.359 1.828 20 10 BDCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001205840971 967848498 /nfs/dbraw/zinc/84/84/98/967848498.db2.gz JDYQNCPXRUVPNP-SMDDNHRTSA-N 1 1 233.359 1.828 20 10 BDCDMO CNC(=O)CC[N@H+](C)Cc1c(O)cccc1F ZINC001137837868 967899331 /nfs/dbraw/zinc/89/93/31/967899331.db2.gz XQJGGKHRNRXUSU-UHFFFAOYSA-N 1 1 240.278 1.099 20 10 BDCDMO CNC(=O)CC[N@@H+](C)Cc1c(O)cccc1F ZINC001137837868 967899333 /nfs/dbraw/zinc/89/93/33/967899333.db2.gz XQJGGKHRNRXUSU-UHFFFAOYSA-N 1 1 240.278 1.099 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@](C)(CO)C2)c1O ZINC001231590579 977641667 /nfs/dbraw/zinc/64/16/67/977641667.db2.gz AWXSGPTWADDKJH-CQSZACIVSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1O ZINC001231594263 977644679 /nfs/dbraw/zinc/64/46/79/977644679.db2.gz ZWDURKBXNYWNLQ-WCQYABFASA-N 1 1 233.311 1.921 20 10 BDCDMO COc1cc(C[N@H+](C)CCF)c(O)cc1O ZINC001231638986 977658968 /nfs/dbraw/zinc/65/89/68/977658968.db2.gz CGEHMONBXCHWRX-UHFFFAOYSA-N 1 1 229.251 1.508 20 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CC(C)(C)[C@H](C[NH3+])NCc1ccc(N)cc1 ZINC001356082693 983572982 /nfs/dbraw/zinc/57/29/82/983572982.db2.gz CHAACYZJRZJSAF-LBPRGKRZSA-N 1 1 221.348 1.732 20 10 BDCDMO Cc1ccc(CN2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001276169831 984823650 /nfs/dbraw/zinc/82/36/50/984823650.db2.gz XJOSCEBAISPQDK-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO CCc1cccc(C[N@@H+](C)CC(=O)NC)c1O ZINC000692109561 985408339 /nfs/dbraw/zinc/40/83/39/985408339.db2.gz PCUXKQKOQODHDO-UHFFFAOYSA-N 1 1 236.315 1.132 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@]12CCOC2 ZINC001117994125 987975046 /nfs/dbraw/zinc/97/50/46/987975046.db2.gz KBQRABXPQAHIQR-CQSZACIVSA-N 1 1 249.310 1.766 20 10 BDCDMO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(N)cc1 ZINC001120370574 989642215 /nfs/dbraw/zinc/64/22/15/989642215.db2.gz AYTKKQLKEFBIQU-ZDUSSCGKSA-N 1 1 233.359 1.747 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)[C@@H](C)CN1C ZINC001120371044 989643186 /nfs/dbraw/zinc/64/31/86/989643186.db2.gz NSKVUXFKFFFPJV-NEPJUHHUSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(N)cc2)[C@@H](C)C[N@@H+]1C ZINC001120371044 989643193 /nfs/dbraw/zinc/64/31/93/989643193.db2.gz NSKVUXFKFFFPJV-NEPJUHHUSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(N)cc2)[C@@H](C)C[N@H+]1C ZINC001120371044 989643198 /nfs/dbraw/zinc/64/31/98/989643198.db2.gz NSKVUXFKFFFPJV-NEPJUHHUSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831702 990853244 /nfs/dbraw/zinc/85/32/44/990853244.db2.gz KHXLGNSQLNTSPX-ZJUUUORDSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(O)cccc1F ZINC001137831702 990853246 /nfs/dbraw/zinc/85/32/46/990853246.db2.gz KHXLGNSQLNTSPX-ZJUUUORDSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137839092 990859159 /nfs/dbraw/zinc/85/91/59/990859159.db2.gz QYVMGINLKCGCEX-VHSXEESVSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1c(O)cccc1F ZINC001137839092 990859161 /nfs/dbraw/zinc/85/91/61/990859161.db2.gz QYVMGINLKCGCEX-VHSXEESVSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cccc(F)c1[O-] ZINC001138123865 990886529 /nfs/dbraw/zinc/88/65/29/990886529.db2.gz OSMNYIOFYRIFLB-ONGXEEELSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cccc(F)c1O ZINC001138123865 990886532 /nfs/dbraw/zinc/88/65/32/990886532.db2.gz OSMNYIOFYRIFLB-ONGXEEELSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cccc(F)c1O ZINC001138123865 990886535 /nfs/dbraw/zinc/88/65/35/990886535.db2.gz OSMNYIOFYRIFLB-ONGXEEELSA-N 1 1 239.290 1.877 20 10 BDCDMO COC(=O)CC[N@H+](C)Cc1cccc(F)c1O ZINC001138129499 990886782 /nfs/dbraw/zinc/88/67/82/990886782.db2.gz HOVNQLAYTJUDPV-UHFFFAOYSA-N 1 1 241.262 1.526 20 10 BDCDMO COC(=O)CC[N@@H+](C)Cc1cccc(F)c1O ZINC001138129499 990886784 /nfs/dbraw/zinc/88/67/84/990886784.db2.gz HOVNQLAYTJUDPV-UHFFFAOYSA-N 1 1 241.262 1.526 20 10 BDCDMO CC[C@H](CO)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308791891 991136282 /nfs/dbraw/zinc/13/62/82/991136282.db2.gz RSYHNJNYPATORG-SECBINFHSA-N 1 1 245.269 1.873 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308791891 991136288 /nfs/dbraw/zinc/13/62/88/991136288.db2.gz RSYHNJNYPATORG-SECBINFHSA-N 1 1 245.269 1.873 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001140062716 991517462 /nfs/dbraw/zinc/51/74/62/991517462.db2.gz FBIDDXAFNZTJGN-DGCLKSJQSA-N 1 1 237.274 1.895 20 10 BDCDMO COC(=O)[C@@H]1CC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178337 991550558 /nfs/dbraw/zinc/55/05/58/991550558.db2.gz IOJTTYLESGRYQK-LBPRGKRZSA-N 1 1 249.310 1.756 20 10 BDCDMO COC(=O)[C@@H]1CC[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140178337 991550569 /nfs/dbraw/zinc/55/05/69/991550569.db2.gz IOJTTYLESGRYQK-LBPRGKRZSA-N 1 1 249.310 1.756 20 10 BDCDMO Cc1ccc(C)c(CN2CC[N@H+]3CC[C@H]2C3)c1O ZINC001140182494 991557046 /nfs/dbraw/zinc/55/70/46/991557046.db2.gz SFUBYDGDMWDLIM-ZDUSSCGKSA-N 1 1 246.354 1.899 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2CCN3CC[C@H]2C3)c1O ZINC001140182494 991557057 /nfs/dbraw/zinc/55/70/57/991557057.db2.gz SFUBYDGDMWDLIM-ZDUSSCGKSA-N 1 1 246.354 1.899 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCN3CC[C@H]2C3)c1O ZINC001140182494 991557067 /nfs/dbraw/zinc/55/70/67/991557067.db2.gz SFUBYDGDMWDLIM-ZDUSSCGKSA-N 1 1 246.354 1.899 20 10 BDCDMO C[N@H+](Cc1ccc(Cl)cc1O)C1COC1 ZINC001140466958 991644005 /nfs/dbraw/zinc/64/40/05/991644005.db2.gz NONLLYUZNKHVRS-UHFFFAOYSA-N 1 1 227.691 1.876 20 10 BDCDMO C[N@@H+](Cc1ccc(Cl)cc1O)C1COC1 ZINC001140466958 991644007 /nfs/dbraw/zinc/64/40/07/991644007.db2.gz NONLLYUZNKHVRS-UHFFFAOYSA-N 1 1 227.691 1.876 20 10 BDCDMO C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001593354403 994991894 /nfs/dbraw/zinc/99/18/94/994991894.db2.gz PBMRYNMFKOHYHY-HTQZYQBOSA-N 1 1 238.287 1.088 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1ccccc1O ZINC000295027390 398264858 /nfs/dbraw/zinc/26/48/58/398264858.db2.gz CVNCIPZGPIYXGH-LLVKDONJSA-N 1 1 209.289 1.595 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@@H](C)CO)c1O ZINC000289488544 179068298 /nfs/dbraw/zinc/06/82/98/179068298.db2.gz RJAXZRIMQPSCPA-JTQLQIEISA-N 1 1 209.289 1.513 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282673344 179071677 /nfs/dbraw/zinc/07/16/77/179071677.db2.gz HRMNSMQSCYTNFW-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282673344 179071680 /nfs/dbraw/zinc/07/16/80/179071680.db2.gz HRMNSMQSCYTNFW-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282673331 179072483 /nfs/dbraw/zinc/07/24/83/179072483.db2.gz HRMNSMQSCYTNFW-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282673331 179072486 /nfs/dbraw/zinc/07/24/86/179072486.db2.gz HRMNSMQSCYTNFW-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1O ZINC000162813506 179080341 /nfs/dbraw/zinc/08/03/41/179080341.db2.gz HLSLAWRMBLJUNJ-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO CCN1CC[N@@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000289199509 352175550 /nfs/dbraw/zinc/17/55/50/352175550.db2.gz BHKRAAXJNKGRJT-LBPRGKRZSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@@H+]1CCN(Cc2ccccc2O)[C@@H](C)C1 ZINC000289199509 352175555 /nfs/dbraw/zinc/17/55/55/352175555.db2.gz BHKRAAXJNKGRJT-LBPRGKRZSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@H+]1CCN(Cc2ccccc2O)[C@@H](C)C1 ZINC000289199509 352175558 /nfs/dbraw/zinc/17/55/58/352175558.db2.gz BHKRAAXJNKGRJT-LBPRGKRZSA-N 1 1 234.343 1.918 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCO1 ZINC000083353910 183254776 /nfs/dbraw/zinc/25/47/76/183254776.db2.gz GVOFNLVPAAXQGZ-JTQLQIEISA-N 1 1 225.263 1.800 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC000039098685 183268890 /nfs/dbraw/zinc/26/88/90/183268890.db2.gz HORYLZZXUCKIHB-LLVKDONJSA-N 1 1 223.272 1.055 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000295446756 183259299 /nfs/dbraw/zinc/25/92/99/183259299.db2.gz UXMNPYLQZSJAFU-QMMMGPOBSA-N 1 1 245.681 1.751 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000295446756 183259302 /nfs/dbraw/zinc/25/93/02/183259302.db2.gz UXMNPYLQZSJAFU-QMMMGPOBSA-N 1 1 245.681 1.751 20 10 BDCDMO Oc1ccccc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000363940274 183303150 /nfs/dbraw/zinc/30/31/50/183303150.db2.gz XOOYODZUZZPZDV-GFCCVEGCSA-N 1 1 243.310 1.762 20 10 BDCDMO CCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000131691431 169202286 /nfs/dbraw/zinc/20/22/86/169202286.db2.gz CQWOFAXPOKTVTP-UHFFFAOYSA-N 1 1 234.343 1.920 20 10 BDCDMO C[N@@H+](CCn1cccn1)Cc1ccccc1O ZINC000111236168 383843484 /nfs/dbraw/zinc/84/34/84/383843484.db2.gz QSZGGDZIZDQMMJ-UHFFFAOYSA-N 1 1 231.299 1.721 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000093481761 384241645 /nfs/dbraw/zinc/24/16/45/384241645.db2.gz QTEUIZAKAGSRBO-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO C[C@H]([NH2+]CCCN(C)C)c1ccccc1O ZINC000019958455 384564098 /nfs/dbraw/zinc/56/40/98/384564098.db2.gz SFHCJGWSUZQNPG-NSHDSACASA-N 1 1 222.332 1.995 20 10 BDCDMO CN(C)CC[N@H+](C)Cc1cc(F)ccc1O ZINC000139747047 384628818 /nfs/dbraw/zinc/62/88/18/384628818.db2.gz CHUJAQDSFXQYCN-UHFFFAOYSA-N 1 1 226.295 1.525 20 10 BDCDMO CN(C)CC[N@@H+](C)Cc1cc(F)ccc1O ZINC000139747047 384628821 /nfs/dbraw/zinc/62/88/21/384628821.db2.gz CHUJAQDSFXQYCN-UHFFFAOYSA-N 1 1 226.295 1.525 20 10 BDCDMO CC[N@@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000127956950 384971404 /nfs/dbraw/zinc/97/14/04/384971404.db2.gz KFJDTOWKOSDZIW-UHFFFAOYSA-N 1 1 223.316 1.823 20 10 BDCDMO CC[N@@H+](CCO)Cc1cccc(OC)c1O ZINC000127966155 384972191 /nfs/dbraw/zinc/97/21/91/384972191.db2.gz QGMABNBRKCJQBR-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193447890 385396302 /nfs/dbraw/zinc/39/63/02/385396302.db2.gz USNRPKRXNJGVIE-LLVKDONJSA-N 1 1 222.332 1.565 20 10 BDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000271356143 385821435 /nfs/dbraw/zinc/82/14/35/385821435.db2.gz MHRSLCBDMAZGDG-NSHDSACASA-N 1 1 235.283 1.387 20 10 BDCDMO Cn1cc(C[N@H+](C)Cc2cccc(F)c2O)cn1 ZINC000272272478 385889492 /nfs/dbraw/zinc/88/94/92/385889492.db2.gz LRJXEEAALSXPRF-UHFFFAOYSA-N 1 1 249.289 1.897 20 10 BDCDMO Cn1cc(C[N@@H+](C)Cc2cccc(F)c2O)cn1 ZINC000272272478 385889495 /nfs/dbraw/zinc/88/94/95/385889495.db2.gz LRJXEEAALSXPRF-UHFFFAOYSA-N 1 1 249.289 1.897 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000234887092 386112852 /nfs/dbraw/zinc/11/28/52/386112852.db2.gz SPGDHDXYOKFEFO-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CCCO)cc1 ZINC000263833673 386180508 /nfs/dbraw/zinc/18/05/08/386180508.db2.gz DCQIDWXZUPZYLJ-UHFFFAOYSA-N 1 1 222.332 1.567 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000289470444 386309312 /nfs/dbraw/zinc/30/93/12/386309312.db2.gz PKNGRPWMAQGKCM-SNVBAGLBSA-N 1 1 240.322 1.704 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)CC(C)(C)O ZINC000264730244 386266803 /nfs/dbraw/zinc/26/68/03/386266803.db2.gz QWLNMLAOAGJIMX-UHFFFAOYSA-N 1 1 209.289 1.595 20 10 BDCDMO C[C@H](CO)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293939645 386671196 /nfs/dbraw/zinc/67/11/96/386671196.db2.gz OEWDQKWFTLYZAM-SSDOTTSWSA-N 1 1 247.697 1.997 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293939645 386671202 /nfs/dbraw/zinc/67/12/02/386671202.db2.gz OEWDQKWFTLYZAM-SSDOTTSWSA-N 1 1 247.697 1.997 20 10 BDCDMO Cc1cc(C[N@H+](C)[C@H](C)CO)ccc1N(C)C ZINC000293993135 386672663 /nfs/dbraw/zinc/67/26/63/386672663.db2.gz FQIDBYHWYZYOLD-GFCCVEGCSA-N 1 1 236.359 1.874 20 10 BDCDMO CCn1ncc(C[NH2+]Cc2ccccc2O)n1 ZINC000527738070 387703751 /nfs/dbraw/zinc/70/37/51/387703751.db2.gz XJPMLKMTVVSGBR-UHFFFAOYSA-N 1 1 232.287 1.293 20 10 BDCDMO CC[N@@H+](CC(=O)OC)Cc1ccccc1O ZINC000272217304 411432914 /nfs/dbraw/zinc/43/29/14/411432914.db2.gz BGXGYTJIJXXQFL-UHFFFAOYSA-N 1 1 223.272 1.387 20 10 BDCDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000082284151 173031775 /nfs/dbraw/zinc/03/17/75/173031775.db2.gz QQGPYNYEPOLHHY-CYBMUJFWSA-N 1 1 247.342 1.022 20 10 BDCDMO CNC(=O)CCC[N@@H+](C)Cc1ccccc1O ZINC000179581246 173236885 /nfs/dbraw/zinc/23/68/85/173236885.db2.gz TUYRYOQJROKBQA-UHFFFAOYSA-N 1 1 236.315 1.350 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367840376 175261914 /nfs/dbraw/zinc/26/19/14/175261914.db2.gz QJDGTLKYHRMNTO-GDNZZTSVSA-N 1 1 249.310 1.071 20 10 BDCDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)[C@H]1CO ZINC000276698736 177165788 /nfs/dbraw/zinc/16/57/88/177165788.db2.gz DVEGQJLXCCQCET-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@H]1CO ZINC000276698736 177165789 /nfs/dbraw/zinc/16/57/89/177165789.db2.gz DVEGQJLXCCQCET-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000894770147 583516890 /nfs/dbraw/zinc/51/68/90/583516890.db2.gz LVFBXXATRBGMHY-SNVBAGLBSA-N 1 1 239.315 1.522 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895652511 583703778 /nfs/dbraw/zinc/70/37/78/583703778.db2.gz HTDKQYYMTKSCFW-BXKDBHETSA-N 1 1 223.247 1.098 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897680118 584038394 /nfs/dbraw/zinc/03/83/94/584038394.db2.gz PIGUGQQMCIHYCD-SWLSCSKDSA-N 1 1 248.370 1.874 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c(O)c1 ZINC000898182394 584093424 /nfs/dbraw/zinc/09/34/24/584093424.db2.gz COISBHRVJRYUEW-RYUDHWBXSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]2CO)c1 ZINC000902629894 584646171 /nfs/dbraw/zinc/64/61/71/584646171.db2.gz JQONPYUALCYPEY-LBPRGKRZSA-N 1 1 221.300 1.576 20 10 BDCDMO NC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000904350059 584869153 /nfs/dbraw/zinc/86/91/53/584869153.db2.gz GQTPYJRVSCLQBF-AWEZNQCLSA-N 1 1 246.354 1.839 20 10 BDCDMO C[C@H]1CC[NH2+]C[C@H]1NCCc1ccc(N)cc1 ZINC000817957622 584992443 /nfs/dbraw/zinc/99/24/43/584992443.db2.gz NGHUBLSRBYLLIF-SMDDNHRTSA-N 1 1 233.359 1.399 20 10 BDCDMO NC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000817965616 584992985 /nfs/dbraw/zinc/99/29/85/584992985.db2.gz YHUSPAYQXXMOHX-NSHDSACASA-N 1 1 232.327 1.851 20 10 BDCDMO COc1cccc(C[NH+]2CC(OC)C2)c1O ZINC000839127282 585093326 /nfs/dbraw/zinc/09/33/26/585093326.db2.gz BREZCYRCUJRPKF-UHFFFAOYSA-N 1 1 223.272 1.231 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)CC1(O)CCC1 ZINC000761218320 585412615 /nfs/dbraw/zinc/41/26/15/585412615.db2.gz AXYQBGJBUMWJBW-UHFFFAOYSA-N 1 1 239.290 1.878 20 10 BDCDMO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768440143 585538667 /nfs/dbraw/zinc/53/86/67/585538667.db2.gz DIPUGXZTTGDGTK-ZDUSSCGKSA-N 1 1 249.310 1.802 20 10 BDCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCC1 ZINC000768465360 585539157 /nfs/dbraw/zinc/53/91/57/585539157.db2.gz HJMXFSKNDLPILZ-CYBMUJFWSA-N 1 1 249.310 1.802 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)Cn2cnnc2)cc1 ZINC000776756300 585703729 /nfs/dbraw/zinc/70/37/29/585703729.db2.gz NTKXIXJRDSUDIL-UHFFFAOYSA-N 1 1 245.330 1.434 20 10 BDCDMO Oc1cc2c(cc1C[N@@H+]1CC=CCC1)OCO2 ZINC000778577778 585737701 /nfs/dbraw/zinc/73/77/01/585737701.db2.gz XSQSWFLYAHHPHM-UHFFFAOYSA-N 1 1 233.267 1.883 20 10 BDCDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000788268492 585920223 /nfs/dbraw/zinc/92/02/23/585920223.db2.gz DLEGAVLLHHKIBJ-SMDDNHRTSA-N 1 1 234.343 1.708 20 10 BDCDMO CCOc1ccc(C[N@@H+](C)CCCO)c(O)c1 ZINC000799740285 586195408 /nfs/dbraw/zinc/19/54/08/586195408.db2.gz YEQYNHNPAGEIAV-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CCOCC23CC3)c1 ZINC000802659222 586308978 /nfs/dbraw/zinc/30/89/78/586308978.db2.gz WSBQEPQTDUHLGL-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCOCC23CC3)c1 ZINC000802659222 586308980 /nfs/dbraw/zinc/30/89/80/586308980.db2.gz WSBQEPQTDUHLGL-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1cccc(C[NH+]2CC(C)(OC)C2)c1O ZINC000813330806 586600459 /nfs/dbraw/zinc/60/04/59/586600459.db2.gz AUYWNGNBDKIKMT-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1O ZINC000816660765 586753335 /nfs/dbraw/zinc/75/33/35/586753335.db2.gz OMPUITCXWNTFCO-ZDUSSCGKSA-N 1 1 234.343 1.918 20 10 BDCDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(F)c1O ZINC000817414605 586803064 /nfs/dbraw/zinc/80/30/64/586803064.db2.gz MCKHWPVJRFWOAV-MWLCHTKSSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(F)c1O ZINC000817414605 586803066 /nfs/dbraw/zinc/80/30/66/586803066.db2.gz MCKHWPVJRFWOAV-MWLCHTKSSA-N 1 1 239.290 1.877 20 10 BDCDMO CNCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000817951890 586847527 /nfs/dbraw/zinc/84/75/27/586847527.db2.gz KWIZQGOYILCVAH-LLVKDONJSA-N 1 1 222.332 1.879 20 10 BDCDMO C[C@@H]([NH2+]CCNC1CC1)c1cc(F)ccc1O ZINC000817953732 586848564 /nfs/dbraw/zinc/84/85/64/586848564.db2.gz PVMPJCCFRHRYOU-SECBINFHSA-N 1 1 238.306 1.934 20 10 BDCDMO C[C@H]([NH2+]CCNC1CC1)c1cc(F)ccc1O ZINC000817953733 586848572 /nfs/dbraw/zinc/84/85/72/586848572.db2.gz PVMPJCCFRHRYOU-VIFPVBQESA-N 1 1 238.306 1.934 20 10 BDCDMO C[C@@H](NCCc1ccc(N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817957440 586850679 /nfs/dbraw/zinc/85/06/79/586850679.db2.gz MENXUNLKZZBCLJ-DOMZBBRYSA-N 1 1 247.386 1.932 20 10 BDCDMO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCCN1 ZINC000817957440 586850682 /nfs/dbraw/zinc/85/06/82/586850682.db2.gz MENXUNLKZZBCLJ-DOMZBBRYSA-N 1 1 247.386 1.932 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)NCC(F)(F)C[NH3+])c1 ZINC000817966147 586855399 /nfs/dbraw/zinc/85/53/99/586855399.db2.gz HFHYEVWQFBZVJA-SECBINFHSA-N 1 1 244.285 1.945 20 10 BDCDMO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817972184 586858802 /nfs/dbraw/zinc/85/88/02/586858802.db2.gz UWPPINVTCIYUCL-MNOVXSKESA-N 1 1 221.348 1.750 20 10 BDCDMO C[C@@H]1[C@H](C(=O)NCc2ccccc2O)CC[N@H+]1C ZINC000825658051 587329740 /nfs/dbraw/zinc/32/97/40/587329740.db2.gz AVHPYKHBICOPQU-ZYHUDNBSSA-N 1 1 248.326 1.349 20 10 BDCDMO COc1cccc(C[N@H+](C)Cc2c[nH]cn2)c1O ZINC000826770619 587362031 /nfs/dbraw/zinc/36/20/31/587362031.db2.gz YKDCVEDHEIIBFU-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO COc1cccc(C[N@@H+](C)Cc2c[nH]cn2)c1O ZINC000826770619 587362032 /nfs/dbraw/zinc/36/20/32/587362032.db2.gz YKDCVEDHEIIBFU-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289927 587375470 /nfs/dbraw/zinc/37/54/70/587375470.db2.gz FCDDKOJEAWLCIK-IINYFYTJSA-N 1 1 249.310 1.358 20 10 BDCDMO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841036207 587938175 /nfs/dbraw/zinc/93/81/75/587938175.db2.gz PQDPKLDKRSQXNI-SNVBAGLBSA-N 1 1 240.734 1.887 20 10 BDCDMO Cc1cc(O)c(C[NH2+][C@@H]2CCCNC2)cc1C ZINC000841041656 587938407 /nfs/dbraw/zinc/93/84/07/587938407.db2.gz CWECPXMCTCPBJO-CYBMUJFWSA-N 1 1 234.343 1.851 20 10 BDCDMO C[NH2+]CCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000841103301 587946275 /nfs/dbraw/zinc/94/62/75/587946275.db2.gz GFKJLZCMFUNLCJ-UHFFFAOYSA-N 1 1 226.295 1.573 20 10 BDCDMO [NH3+]C1CCN(Cc2cccc(F)c2O)CC1 ZINC000843047244 588076210 /nfs/dbraw/zinc/07/62/10/588076210.db2.gz HQXWSTIEQKGEBC-UHFFFAOYSA-N 1 1 224.279 1.454 20 10 BDCDMO CN(Cc1cccc(Cl)c1O)[C@H]1CC[NH2+]C1 ZINC000843049326 588077116 /nfs/dbraw/zinc/07/71/16/588077116.db2.gz KLTQLDXBGFFFEQ-JTQLQIEISA-N 1 1 240.734 1.839 20 10 BDCDMO [NH3+]C[C@H]1CCCN1Cc1cccc(Cl)c1O ZINC000843054588 588077272 /nfs/dbraw/zinc/07/72/72/588077272.db2.gz VLRXYMHPTUHOHZ-SNVBAGLBSA-N 1 1 240.734 1.969 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](N)C2)cc1C ZINC000843120581 588083684 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/nfs/dbraw/zinc/21/14/83/590211483.db2.gz HDMKHAUHEARBRS-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876563193 590216443 /nfs/dbraw/zinc/21/64/43/590216443.db2.gz ZWGYGBCJSOXGLP-GFCCVEGCSA-N 1 1 249.310 1.838 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC2(C1)OCCO2 ZINC000876684510 590230568 /nfs/dbraw/zinc/23/05/68/590230568.db2.gz PHNBGHLGMVFNSZ-UHFFFAOYSA-N 1 1 249.310 1.649 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c(O)c1 ZINC000877464001 590332721 /nfs/dbraw/zinc/33/27/21/590332721.db2.gz IETOMNYOXFVPCQ-WCQYABFASA-N 1 1 235.327 1.903 20 10 BDCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCNC1=O ZINC000877499167 590341461 /nfs/dbraw/zinc/34/14/61/590341461.db2.gz LZWBQOKAHWYDSC-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c(O)c1 ZINC000877567676 590361754 /nfs/dbraw/zinc/36/17/54/590361754.db2.gz ORZHUYCIAYCUFR-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(O)c1 ZINC000877567676 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Cc1cc(C[N@@H+](C)C2COC2)ccc1N(C)C ZINC001139672996 991312271 /nfs/dbraw/zinc/31/22/71/991312271.db2.gz MYUSJOXSIQXMBF-UHFFFAOYSA-N 1 1 234.343 1.892 20 10 BDCDMO C[N@H+](Cc1cc(F)ccc1O)CC1COC1 ZINC001140055382 991506049 /nfs/dbraw/zinc/50/60/49/991506049.db2.gz UGQKFUMLMXVDFC-UHFFFAOYSA-N 1 1 225.263 1.610 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC12COC2 ZINC001140055002 991508302 /nfs/dbraw/zinc/50/83/02/991508302.db2.gz DEBOVOOHLCKGTJ-UHFFFAOYSA-N 1 1 237.274 1.896 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CCCC12COC2 ZINC001140055002 991508312 /nfs/dbraw/zinc/50/83/12/991508312.db2.gz DEBOVOOHLCKGTJ-UHFFFAOYSA-N 1 1 237.274 1.896 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001140057210 991510673 /nfs/dbraw/zinc/51/06/73/991510673.db2.gz CYYAJDICLZMSDH-GFCCVEGCSA-N 1 1 239.290 1.878 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC001140181027 991552994 /nfs/dbraw/zinc/55/29/94/991552994.db2.gz UBARELDDYIKNIN-LBPRGKRZSA-N 1 1 248.326 1.459 20 10 BDCDMO COc1cc(C)c(C[N@@H+](C)C[C@H](C)O)c(O)c1 ZINC001560746466 991585837 /nfs/dbraw/zinc/58/58/37/991585837.db2.gz AGNGFQOEHCLIFN-JTQLQIEISA-N 1 1 239.315 1.522 20 10 BDCDMO CC(C)c1ccc(O)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001575858175 993114630 /nfs/dbraw/zinc/11/46/30/993114630.db2.gz AXMCJQXCHMNKTN-NHAGDIPZSA-N 1 1 246.354 1.823 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](O)C2)cc1C ZINC000128157023 178195490 /nfs/dbraw/zinc/19/54/90/178195490.db2.gz KFFUYWYGXXVWIX-LBPRGKRZSA-N 1 1 221.300 1.576 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)CC2)c1 ZINC000093101872 398308599 /nfs/dbraw/zinc/30/85/99/398308599.db2.gz CILWTNMLYVSUER-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000092762964 345642267 /nfs/dbraw/zinc/64/22/67/345642267.db2.gz MKXNAWXBSGRZGY-CYBMUJFWSA-N 1 1 234.343 1.567 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCCN(C)CC2)c1O ZINC000124495069 179073846 /nfs/dbraw/zinc/07/38/46/179073846.db2.gz LWUHOMKXPZVNPV-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000183449127 179079805 /nfs/dbraw/zinc/07/98/05/179079805.db2.gz RFOKZHIYMFVEDY-LLVKDONJSA-N 1 1 234.299 1.008 20 10 BDCDMO CCN1CC[N@@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000289199507 352175619 /nfs/dbraw/zinc/17/56/19/352175619.db2.gz BHKRAAXJNKGRJT-GFCCVEGCSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@@H+]1CCN(Cc2ccccc2O)[C@H](C)C1 ZINC000289199507 352175622 /nfs/dbraw/zinc/17/56/22/352175622.db2.gz BHKRAAXJNKGRJT-GFCCVEGCSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@H+]1CCN(Cc2ccccc2O)[C@H](C)C1 ZINC000289199507 352175625 /nfs/dbraw/zinc/17/56/25/352175625.db2.gz BHKRAAXJNKGRJT-GFCCVEGCSA-N 1 1 234.343 1.918 20 10 BDCDMO CC(C)(O)CC[NH2+]Cc1cccc(F)c1O ZINC000274883949 188265527 /nfs/dbraw/zinc/26/55/27/188265527.db2.gz BVGWVRQIUDQLGL-UHFFFAOYSA-N 1 1 227.279 1.782 20 10 BDCDMO OCCCCC[NH2+]Cc1cccc(F)c1O ZINC000083355414 183047620 /nfs/dbraw/zinc/04/76/20/183047620.db2.gz VHBOCFJKKSBJMU-UHFFFAOYSA-N 1 1 227.279 1.784 20 10 BDCDMO OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000183244129 183117189 /nfs/dbraw/zinc/11/71/89/183117189.db2.gz CGXZDIJNOKCLCH-SNVBAGLBSA-N 1 1 239.290 1.736 20 10 BDCDMO Oc1c(F)cccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000158753520 183254796 /nfs/dbraw/zinc/25/47/96/183254796.db2.gz UYAHQHCWOXTWIR-RYUDHWBXSA-N 1 1 239.290 1.924 20 10 BDCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCCOC1 ZINC000165164466 183254840 /nfs/dbraw/zinc/25/48/40/183254840.db2.gz KTHLLUWUYHWQRQ-SNVBAGLBSA-N 1 1 225.263 1.800 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000092471014 384181666 /nfs/dbraw/zinc/18/16/66/384181666.db2.gz KQFIHBQRNFMOGI-GFCCVEGCSA-N 1 1 221.300 1.657 20 10 BDCDMO C[C@H]([NH2+]Cc1cccc(F)c1O)C(=O)N(C)C ZINC000158693627 384256019 /nfs/dbraw/zinc/25/60/19/384256019.db2.gz RFMQGNMUDPJXPI-QMMMGPOBSA-N 1 1 240.278 1.098 20 10 BDCDMO CC(C)[N@@H+](CCO)Cc1ccccc1O ZINC000128549990 384952223 /nfs/dbraw/zinc/95/22/23/384952223.db2.gz BGRQZRXGXOWAEO-UHFFFAOYSA-N 1 1 209.289 1.595 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1O)[C@H]1CCOC1 ZINC000165419554 385123156 /nfs/dbraw/zinc/12/31/56/385123156.db2.gz WTUFZHFDMPAOAH-JTQLQIEISA-N 1 1 225.263 1.752 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1O)[C@H]1CCOC1 ZINC000165419554 385123162 /nfs/dbraw/zinc/12/31/62/385123162.db2.gz WTUFZHFDMPAOAH-JTQLQIEISA-N 1 1 225.263 1.752 20 10 BDCDMO C[C@@H]([NH2+]CCN(C)C)c1ccc(F)cc1O ZINC000062744661 385183425 /nfs/dbraw/zinc/18/34/25/385183425.db2.gz BDVDLAPZIADKLY-SECBINFHSA-N 1 1 226.295 1.744 20 10 BDCDMO C[C@@H](CNCc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000291693709 385595992 /nfs/dbraw/zinc/59/59/92/385595992.db2.gz JHZAESLDFJZQTM-LBPRGKRZSA-N 1 1 248.370 1.909 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000271181775 385801563 /nfs/dbraw/zinc/80/15/63/385801563.db2.gz LNESRFGQUBROBK-AWEZNQCLSA-N 1 1 234.343 1.973 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000295150875 386692132 /nfs/dbraw/zinc/69/21/32/386692132.db2.gz RDBSMFOJRKHLGT-CYBMUJFWSA-N 1 1 236.359 1.955 20 10 BDCDMO CC[C@H]([NH2+]CCO)c1ccc(F)cc1O ZINC000285809229 387279306 /nfs/dbraw/zinc/27/93/06/387279306.db2.gz VTMIGPHHDGBVIX-JTQLQIEISA-N 1 1 213.252 1.564 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1cccc(C)c1O ZINC000188466198 169743200 /nfs/dbraw/zinc/74/32/00/169743200.db2.gz ICRLZWCPJSHOGZ-UHFFFAOYSA-N 1 1 222.288 1.008 20 10 BDCDMO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000180768130 170280463 /nfs/dbraw/zinc/28/04/63/170280463.db2.gz RBSZJYZKOFQFBP-GFCCVEGCSA-N 1 1 249.310 1.920 20 10 BDCDMO C[N@H+](C[C@H]1CCOC1)c1ccc(N)cc1 ZINC000058478084 172834643 /nfs/dbraw/zinc/83/46/43/172834643.db2.gz ULBXWULEMZBLLM-SNVBAGLBSA-N 1 1 206.289 1.742 20 10 BDCDMO C[N@@H+](C[C@H]1CCOC1)c1ccc(N)cc1 ZINC000058478084 172834645 /nfs/dbraw/zinc/83/46/45/172834645.db2.gz ULBXWULEMZBLLM-SNVBAGLBSA-N 1 1 206.289 1.742 20 10 BDCDMO COCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000127126960 174280992 /nfs/dbraw/zinc/28/09/92/174280992.db2.gz FUDVSNQPCDPROJ-UHFFFAOYSA-N 1 1 240.322 1.970 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)CO)c1 ZINC000289458011 175158027 /nfs/dbraw/zinc/15/80/27/175158027.db2.gz OCCWTBIWFOASJU-SECBINFHSA-N 1 1 225.288 1.213 20 10 BDCDMO COc1cccc(C[N@@H+](C)CCCO)c1O ZINC000281670584 175256080 /nfs/dbraw/zinc/25/60/80/175256080.db2.gz DHGNLJVVNDIYAC-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO C[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000132606062 176337902 /nfs/dbraw/zinc/33/79/02/176337902.db2.gz FZSHPGJTTXUXRF-SNVBAGLBSA-N 1 1 207.273 1.613 20 10 BDCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000292885464 177336496 /nfs/dbraw/zinc/33/64/96/177336496.db2.gz YDRNMHQESFDQKM-ONGXEEELSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(F)c1O ZINC000292885464 177336497 /nfs/dbraw/zinc/33/64/97/177336497.db2.gz YDRNMHQESFDQKM-ONGXEEELSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(F)c1O ZINC000292885464 177336498 /nfs/dbraw/zinc/33/64/98/177336498.db2.gz YDRNMHQESFDQKM-ONGXEEELSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000844448562 582588247 /nfs/dbraw/zinc/58/82/47/582588247.db2.gz GDZHGKDGVKHMMC-GFCCVEGCSA-N 1 1 236.359 1.955 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000893945881 583256967 /nfs/dbraw/zinc/25/69/67/583256967.db2.gz JADQWHKSHULKCA-VIFPVBQESA-N 1 1 229.226 1.237 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000893945881 583256969 /nfs/dbraw/zinc/25/69/69/583256969.db2.gz JADQWHKSHULKCA-VIFPVBQESA-N 1 1 229.226 1.237 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897678369 584035810 /nfs/dbraw/zinc/03/58/10/584035810.db2.gz ASNUPLVHCVFXPY-GXFFZTMASA-N 1 1 221.300 1.513 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897681364 584038917 /nfs/dbraw/zinc/03/89/17/584038917.db2.gz SQYCQZDEEOPFET-NOZJJQNGSA-N 1 1 237.299 1.213 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC000898182396 584092980 /nfs/dbraw/zinc/09/29/80/584092980.db2.gz COISBHRVJRYUEW-VXGBXAGGSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC000898182392 584093478 /nfs/dbraw/zinc/09/34/78/584093478.db2.gz COISBHRVJRYUEW-NWDGAFQWSA-N 1 1 239.290 1.605 20 10 BDCDMO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccccc1O ZINC000841059060 584125683 /nfs/dbraw/zinc/12/56/83/584125683.db2.gz LHRFRMQUBYLLIB-JQWIXIFHSA-N 1 1 220.316 1.480 20 10 BDCDMO NC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000902406530 584574374 /nfs/dbraw/zinc/57/43/74/584574374.db2.gz NKMBQZOPWHPIGC-JTQLQIEISA-N 1 1 218.300 1.460 20 10 BDCDMO CCOc1cccc(CN[C@@H](C)[C@H](C)[NH3+])c1O ZINC000841076742 584756079 /nfs/dbraw/zinc/75/60/79/584756079.db2.gz NXVJBZRARVVDOQ-UWVGGRQHSA-N 1 1 238.331 1.616 20 10 BDCDMO COC1C[NH+](Cc2c(O)ccc3ccncc32)C1 ZINC000738226521 584886947 /nfs/dbraw/zinc/88/69/47/584886947.db2.gz XOGIBOWGUFSBCQ-UHFFFAOYSA-N 1 1 244.294 1.771 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](F)C1 ZINC000824570267 585028831 /nfs/dbraw/zinc/02/88/31/585028831.db2.gz ABOCJQPLMIVCDV-VIFPVBQESA-N 1 1 225.263 1.945 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000758396018 585355647 /nfs/dbraw/zinc/35/56/47/585355647.db2.gz BBEVLLRTULHRRP-LBPRGKRZSA-N 1 1 248.326 1.329 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000761222195 585412433 /nfs/dbraw/zinc/41/24/33/585412433.db2.gz IUSDZLWIHYGCAO-UHFFFAOYSA-N 1 1 237.299 1.356 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)C1CC(O)C1 ZINC000761222480 585412536 /nfs/dbraw/zinc/41/25/36/585412536.db2.gz JJJSEXNXPHJFNH-UHFFFAOYSA-N 1 1 207.273 1.347 20 10 BDCDMO COc1cc(C[NH+]2CC(OC)C2)c(O)cc1C ZINC000768447691 585538738 /nfs/dbraw/zinc/53/87/38/585538738.db2.gz RRNNGOXIWYZJKR-UHFFFAOYSA-N 1 1 237.299 1.540 20 10 BDCDMO CC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779217793 585747384 /nfs/dbraw/zinc/74/73/84/585747384.db2.gz BPIQVUNCEZLQAY-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCN1C ZINC000785765148 585880227 /nfs/dbraw/zinc/88/02/27/585880227.db2.gz DGHNZUUMLUZLEV-CYBMUJFWSA-N 1 1 247.386 1.889 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000785765148 585880228 /nfs/dbraw/zinc/88/02/28/585880228.db2.gz DGHNZUUMLUZLEV-CYBMUJFWSA-N 1 1 247.386 1.889 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000785765148 585880229 /nfs/dbraw/zinc/88/02/29/585880229.db2.gz DGHNZUUMLUZLEV-CYBMUJFWSA-N 1 1 247.386 1.889 20 10 BDCDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccccc1O ZINC000788435848 585923306 /nfs/dbraw/zinc/92/33/06/585923306.db2.gz NNQICOACMHOXLY-ZDUSSCGKSA-N 1 1 221.300 1.739 20 10 BDCDMO C[N@H+](Cc1ccccc1O)[C@H]1CC(C)(C)OC1=O ZINC000814178828 586615993 /nfs/dbraw/zinc/61/59/93/586615993.db2.gz DZFHZEWMFRWAEJ-NSHDSACASA-N 1 1 249.310 1.918 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CC(C)(C)OC1=O ZINC000814178828 586615994 /nfs/dbraw/zinc/61/59/94/586615994.db2.gz DZFHZEWMFRWAEJ-NSHDSACASA-N 1 1 249.310 1.918 20 10 BDCDMO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)ccc1N(C)C ZINC000815081057 586665124 /nfs/dbraw/zinc/66/51/24/586665124.db2.gz QOCRTPYXGBSYBA-WFASDCNBSA-N 1 1 248.370 1.874 20 10 BDCDMO C[N@@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816480629 586736290 /nfs/dbraw/zinc/73/62/90/586736290.db2.gz SFTUUIXYXITBES-UHFFFAOYSA-N 1 1 231.295 1.970 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccccc1O ZINC000817414823 586802491 /nfs/dbraw/zinc/80/24/91/586802491.db2.gz OTSBIVXHXFPPIH-PWSUYJOCSA-N 1 1 221.300 1.737 20 10 BDCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000817414824 586802566 /nfs/dbraw/zinc/80/25/66/586802566.db2.gz OTSBIVXHXFPPIH-ZYHUDNBSSA-N 1 1 221.300 1.737 20 10 BDCDMO C[C@H]1C[C@@H]([NH2+]CCN)c2c1c(F)ccc2O ZINC000817935454 586843433 /nfs/dbraw/zinc/84/34/33/586843433.db2.gz WERXVXVPVNSXCG-IONNQARKSA-N 1 1 224.279 1.628 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCCNC1)c1ccccc1O ZINC000817939744 586845565 /nfs/dbraw/zinc/84/55/65/586845565.db2.gz BMYSOVIDKKVCGA-GHMZBOCLSA-N 1 1 220.316 1.795 20 10 BDCDMO C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817944968 586846210 /nfs/dbraw/zinc/84/62/10/586846210.db2.gz QLHSIDGVMVKUSC-APPZFPTMSA-N 1 1 242.269 1.683 20 10 BDCDMO CC[C@@H]([NH2+]C1CNC1)c1ccc(C)cc1O ZINC000817955497 586849917 /nfs/dbraw/zinc/84/99/17/586849917.db2.gz CKKVYTRFLFOVGM-GFCCVEGCSA-N 1 1 220.316 1.713 20 10 BDCDMO C[C@H](NCCc1ccc(N)cc1)[C@H]1CCCC[NH2+]1 ZINC000817957442 586850818 /nfs/dbraw/zinc/85/08/18/586850818.db2.gz MENXUNLKZZBCLJ-SWLSCSKDSA-N 1 1 247.386 1.932 20 10 BDCDMO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCCN1 ZINC000817957442 586850819 /nfs/dbraw/zinc/85/08/19/586850819.db2.gz MENXUNLKZZBCLJ-SWLSCSKDSA-N 1 1 247.386 1.932 20 10 BDCDMO COc1ccc(O)c([C@H](C)NCC(C)(C)[NH3+])c1 ZINC000817960568 586851595 /nfs/dbraw/zinc/85/15/95/586851595.db2.gz OKAGZENZMJUEBO-VIFPVBQESA-N 1 1 238.331 1.789 20 10 BDCDMO C[C@H](CN)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817966841 586855106 /nfs/dbraw/zinc/85/51/06/586855106.db2.gz WXTMJRLROFBMPS-GHMZBOCLSA-N 1 1 221.348 1.750 20 10 BDCDMO C[C@H](NCC(F)(F)C[NH3+])c1cc(F)ccc1O ZINC000817966656 586855178 /nfs/dbraw/zinc/85/51/78/586855178.db2.gz SOHAVPVWDXVRPK-ZETCQYMHSA-N 1 1 248.248 1.776 20 10 BDCDMO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966052 586855493 /nfs/dbraw/zinc/85/54/93/586855493.db2.gz ZVIGAVMDUOPHNA-MRVPVSSYSA-N 1 1 240.734 1.916 20 10 BDCDMO C[C@@H](N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817971821 586859705 /nfs/dbraw/zinc/85/97/05/586859705.db2.gz HJPICKYIAZJNQD-PSASIEDQSA-N 1 1 206.289 1.316 20 10 BDCDMO Cc1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1C ZINC000817977074 586860891 /nfs/dbraw/zinc/86/08/91/586860891.db2.gz AHVIDJZNZGOVHZ-ZZVYKPCYSA-N 1 1 246.354 1.877 20 10 BDCDMO COc1ccc(O)c([C@@H](C)NC[C@@H](C)[NH3+])c1 ZINC000817973265 586861005 /nfs/dbraw/zinc/86/10/05/586861005.db2.gz RXESBEBXFNSXGY-RKDXNWHRSA-N 1 1 224.304 1.399 20 10 BDCDMO [O-]c1ccc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026489 587935609 /nfs/dbraw/zinc/93/56/09/587935609.db2.gz DVRUHKHDVGPCEW-UHFFFAOYSA-N 1 1 240.734 1.887 20 10 BDCDMO COc1cccc(CNC[C@@H]([NH3+])C(C)C)c1O ZINC000841028808 587936489 /nfs/dbraw/zinc/93/64/89/587936489.db2.gz HVPAINWJSJCTJG-LLVKDONJSA-N 1 1 238.331 1.474 20 10 BDCDMO CC(C)(C)NCC[NH2+]CCc1ccc(N)cc1 ZINC000841037947 587937893 /nfs/dbraw/zinc/93/78/93/587937893.db2.gz DLHCREWJAPVBJV-UHFFFAOYSA-N 1 1 235.375 1.789 20 10 BDCDMO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841063621 587941468 /nfs/dbraw/zinc/94/14/68/587941468.db2.gz MBHSFNWRVSSZFW-SMDDNHRTSA-N 1 1 246.354 1.709 20 10 BDCDMO C[NH2+][C@@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000843044844 588075851 /nfs/dbraw/zinc/07/58/51/588075851.db2.gz KXGIAXLZGLOPDX-SNVBAGLBSA-N 1 1 240.734 1.839 20 10 BDCDMO CCC[C@H]1CNCC[N@@H+]1Cc1ccccc1O ZINC000843058423 588077709 /nfs/dbraw/zinc/07/77/09/588077709.db2.gz SIKIRZROYMCOJK-ZDUSSCGKSA-N 1 1 234.343 1.966 20 10 BDCDMO CCC[C@H]1CNCC[N@H+]1Cc1ccccc1O ZINC000843058423 588077711 /nfs/dbraw/zinc/07/77/11/588077711.db2.gz SIKIRZROYMCOJK-ZDUSSCGKSA-N 1 1 234.343 1.966 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(F)cc1O ZINC000850579586 588561515 /nfs/dbraw/zinc/56/15/15/588561515.db2.gz ZLLODQRRYLWLAD-HGNGGELXSA-N 1 1 225.263 1.705 20 10 BDCDMO CC[N@@H+](CCO)Cc1c(C)cccc1O ZINC000876526879 590209238 /nfs/dbraw/zinc/20/92/38/590209238.db2.gz JFMNJUFNUFNRLX-UHFFFAOYSA-N 1 1 209.289 1.515 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)C1 ZINC000876561180 590215444 /nfs/dbraw/zinc/21/54/44/590215444.db2.gz MCSLQLGITJZKFA-SNVBAGLBSA-N 1 1 207.273 1.267 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](O)C1 ZINC000876589501 590219060 /nfs/dbraw/zinc/21/90/60/590219060.db2.gz MCSLQLGITJZKFA-JTQLQIEISA-N 1 1 207.273 1.267 20 10 BDCDMO Cc1ccc(C[N@H+]2CCCOCC2)c(O)c1 ZINC000876618415 590222491 /nfs/dbraw/zinc/22/24/91/590222491.db2.gz UULMDHOZAOJCDL-UHFFFAOYSA-N 1 1 221.300 1.923 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000876690653 590231090 /nfs/dbraw/zinc/23/10/90/590231090.db2.gz OYQBIPIMSWKCPM-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c(O)c1 ZINC000877535515 590350095 /nfs/dbraw/zinc/35/00/95/590350095.db2.gz PEVQBNRFOAXRDH-LLVKDONJSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC3(COC3)C2)c(O)c1 ZINC000877638693 590381491 /nfs/dbraw/zinc/38/14/91/590381491.db2.gz LQTIQYPSGZWWIW-UHFFFAOYSA-N 1 1 233.311 1.923 20 10 BDCDMO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3O)CC[C@@H]21 ZINC000877742724 590409853 /nfs/dbraw/zinc/40/98/53/590409853.db2.gz GCUHFCBXDZEHPR-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccccc3O)CC[C@@H]21 ZINC000877742724 590409856 /nfs/dbraw/zinc/40/98/56/590409856.db2.gz GCUHFCBXDZEHPR-OCCSQVGLSA-N 1 1 246.354 1.918 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880492684 591071439 /nfs/dbraw/zinc/07/14/39/591071439.db2.gz UYVBVYFXGOBPGE-AWEZNQCLSA-N 1 1 232.327 1.485 20 10 BDCDMO C[C@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000130639531 591490430 /nfs/dbraw/zinc/49/04/30/591490430.db2.gz QCHQLSNQXBZIKK-QMMMGPOBSA-N 1 1 229.707 1.858 20 10 BDCDMO C[C@H]1CN(Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC000132482392 591713549 /nfs/dbraw/zinc/71/35/49/591713549.db2.gz QGQXCGVMCOPHAX-VIFPVBQESA-N 1 1 240.734 1.839 20 10 BDCDMO C[C@@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487784 592235120 /nfs/dbraw/zinc/23/51/20/592235120.db2.gz VDUUPKHKFHSWFY-SFYZADRCSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@@H]([NH2+]CCOCCO)c1c(O)cccc1F ZINC000886491423 592236695 /nfs/dbraw/zinc/23/66/95/592236695.db2.gz CYZRBZBQALUJOL-SECBINFHSA-N 1 1 243.278 1.191 20 10 BDCDMO C[C@@H]([NH2+]CCN(C)C)c1c(O)cccc1F ZINC000886608898 592274411 /nfs/dbraw/zinc/27/44/11/592274411.db2.gz HXODKUUYGCNURP-SECBINFHSA-N 1 1 226.295 1.744 20 10 BDCDMO C[C@@H]([NH2+][C@@H](CO)CCF)c1c(O)cccc1F ZINC000886632761 592283203 /nfs/dbraw/zinc/28/32/03/592283203.db2.gz DFWJNPMHJRFDEQ-RKDXNWHRSA-N 1 1 245.269 1.902 20 10 BDCDMO NC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000259000459 635233837 /nfs/dbraw/zinc/23/38/37/635233837.db2.gz FEJUYUOBJSXXFM-UHFFFAOYSA-N 1 1 218.300 1.202 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1COCO1 ZINC000894891072 636000489 /nfs/dbraw/zinc/00/04/89/636000489.db2.gz XXALMZFFBNHMMU-VIFPVBQESA-N 1 1 245.225 1.133 20 10 BDCDMO NC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000258995180 635230150 /nfs/dbraw/zinc/23/01/50/635230150.db2.gz DSSSOEVJNUNEER-UHFFFAOYSA-N 1 1 232.327 1.593 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1ccccc1O ZINC000162953118 635237319 /nfs/dbraw/zinc/23/73/19/635237319.db2.gz VLBRVFPAYINAFS-UHFFFAOYSA-N 1 1 219.244 1.373 20 10 BDCDMO CN(C)c1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000906508356 638178586 /nfs/dbraw/zinc/17/85/86/638178586.db2.gz OOGUHHMDAUQHRL-XYPYZODXSA-N 1 1 237.322 1.471 20 10 BDCDMO CN(C)c1ccc(/C=C\CN[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906517039 638187568 /nfs/dbraw/zinc/18/75/68/638187568.db2.gz CUQVXPOELARUML-GJQFUUHUSA-N 1 1 245.370 1.845 20 10 BDCDMO CN1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000044535356 640402714 /nfs/dbraw/zinc/40/27/14/640402714.db2.gz BTCPKWITVRYGRB-GFCCVEGCSA-N 1 1 234.343 1.824 20 10 BDCDMO C[N@@H+](CCNC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000059931479 640841434 /nfs/dbraw/zinc/84/14/34/640841434.db2.gz LHPSJYCMFYHLFH-UHFFFAOYSA-N 1 1 247.342 1.022 20 10 BDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000228356548 640872072 /nfs/dbraw/zinc/87/20/72/640872072.db2.gz QNTWTRFGGPOYJR-CYBMUJFWSA-N 1 1 248.326 1.411 20 10 BDCDMO C[NH2+]CCCNCc1cc(F)ccc1O ZINC000083347005 643437576 /nfs/dbraw/zinc/43/75/76/643437576.db2.gz KINNRNPXYQTTBU-UHFFFAOYSA-N 1 1 212.268 1.230 20 10 BDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193840317 644283366 /nfs/dbraw/zinc/28/33/66/644283366.db2.gz ZISAMTZQBFMQDP-UHFFFAOYSA-N 1 1 249.358 1.321 20 10 BDCDMO Cc1ccc(C[NH2+]CCCN(C)C)c(O)c1 ZINC000083352241 644403379 /nfs/dbraw/zinc/40/33/79/644403379.db2.gz IDVOQWBYXQYODS-UHFFFAOYSA-N 1 1 222.332 1.742 20 10 BDCDMO CN(Cc1ccccc1O)C[C@]1(C)CC[NH2+]C1 ZINC000843060902 645258439 /nfs/dbraw/zinc/25/84/39/645258439.db2.gz RCGTVSAFOMJGEX-CQSZACIVSA-N 1 1 234.343 1.824 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCN[C@H](C)C2)c1 ZINC000083814060 711810197 /nfs/dbraw/zinc/81/01/97/711810197.db2.gz JFWZSKPYFWRNAJ-LLVKDONJSA-N 1 1 220.316 1.494 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN[C@H](C)C2)c1 ZINC000083814060 711810198 /nfs/dbraw/zinc/81/01/98/711810198.db2.gz JFWZSKPYFWRNAJ-LLVKDONJSA-N 1 1 220.316 1.494 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CN2CCC1CC2 ZINC000386444806 711030218 /nfs/dbraw/zinc/03/02/18/711030218.db2.gz CFCIBMFXMONKIW-CQSZACIVSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCOC1 ZINC000708412071 712194351 /nfs/dbraw/zinc/19/43/51/712194351.db2.gz FPCCBNMHOQHVPC-SNVBAGLBSA-N 1 1 243.253 1.891 20 10 BDCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCOC1 ZINC000708412071 712194352 /nfs/dbraw/zinc/19/43/52/712194352.db2.gz FPCCBNMHOQHVPC-SNVBAGLBSA-N 1 1 243.253 1.891 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(O)CCC1 ZINC000708440896 712194738 /nfs/dbraw/zinc/19/47/38/712194738.db2.gz FLVKHLSUIANGNR-UHFFFAOYSA-N 1 1 243.253 1.675 20 10 BDCDMO CC(C)(O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708438593 712194892 /nfs/dbraw/zinc/19/48/92/712194892.db2.gz WXEIKPDGURZYAT-UHFFFAOYSA-N 1 1 231.242 1.531 20 10 BDCDMO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(F)cc1O ZINC000712594666 712435856 /nfs/dbraw/zinc/43/58/56/712435856.db2.gz NPGBUMQSPHPECH-ONGXEEELSA-N 1 1 238.306 1.886 20 10 BDCDMO Cc1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000038034420 712799985 /nfs/dbraw/zinc/79/99/85/712799985.db2.gz QLIZEARFCGBWOS-MRVPVSSYSA-N 1 1 233.271 1.934 20 10 BDCDMO C[C@@]1([NH3+])CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001204789645 963571079 /nfs/dbraw/zinc/57/10/79/963571079.db2.gz ADBRCGSNUHZFDL-GFCCVEGCSA-N 1 1 242.269 1.594 20 10 BDCDMO CCC[N@@H+](CCOC)Cc1ccc(O)c(O)c1 ZINC001203874101 966804881 /nfs/dbraw/zinc/80/48/81/966804881.db2.gz OBZDXMSIURXVPH-UHFFFAOYSA-N 1 1 239.315 1.956 20 10 BDCDMO Cc1cccc(O)c1C[NH+]1CC(N(C)C)C1 ZINC001237483937 979913351 /nfs/dbraw/zinc/91/33/51/979913351.db2.gz WFCMKYRLNZVKIE-UHFFFAOYSA-N 1 1 220.316 1.446 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H](C)O)cc1 ZINC000773751614 971604864 /nfs/dbraw/zinc/60/48/64/971604864.db2.gz FWYJZVGZQNOHIQ-GFCCVEGCSA-N 1 1 236.359 1.955 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1 ZINC001140619405 960461776 /nfs/dbraw/zinc/46/17/76/960461776.db2.gz CICVJRWDIIKBBO-RISCZKNCSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCCOCC2)c1O ZINC001140742505 960543716 /nfs/dbraw/zinc/54/37/16/960543716.db2.gz QBYSGRYJJATDGC-UHFFFAOYSA-N 1 1 237.299 1.629 20 10 BDCDMO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156137 960891356 /nfs/dbraw/zinc/89/13/56/960891356.db2.gz GBSKVJRWQXVMNZ-ZJUUUORDSA-N 1 1 241.262 1.003 20 10 BDCDMO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(O)ccc1O ZINC001141156137 960891357 /nfs/dbraw/zinc/89/13/57/960891357.db2.gz GBSKVJRWQXVMNZ-ZJUUUORDSA-N 1 1 241.262 1.003 20 10 BDCDMO C[C@]1(CO)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141155939 960892216 /nfs/dbraw/zinc/89/22/16/960892216.db2.gz BBLYEDLKFFASQR-ZDUSSCGKSA-N 1 1 237.299 1.302 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(O)ccc1O ZINC001141156868 960895883 /nfs/dbraw/zinc/89/58/83/960895883.db2.gz VVLFKEBSXWNRRZ-ZJUUUORDSA-N 1 1 237.299 1.301 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001141160156 960897827 /nfs/dbraw/zinc/89/78/27/960897827.db2.gz REOLOZWXZGZZLN-AWEZNQCLSA-N 1 1 249.310 1.853 20 10 BDCDMO CCN(Cc1ccccc1O)c1cc[nH+]c(N)n1 ZINC001154889155 962884704 /nfs/dbraw/zinc/88/47/04/962884704.db2.gz QSRZJDMKAGEFAN-UHFFFAOYSA-N 1 1 244.298 1.791 20 10 BDCDMO C[N@H+](CCO)Cc1cc(F)c(F)cc1O ZINC001236254855 966325147 /nfs/dbraw/zinc/32/51/47/966325147.db2.gz FHMVACHGQYFYBU-UHFFFAOYSA-N 1 1 217.215 1.095 20 10 BDCDMO C[N@@H+](CCO)Cc1cc(F)c(F)cc1O ZINC001236254855 966325157 /nfs/dbraw/zinc/32/51/57/966325157.db2.gz FHMVACHGQYFYBU-UHFFFAOYSA-N 1 1 217.215 1.095 20 10 BDCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203560451 966689455 /nfs/dbraw/zinc/68/94/55/966689455.db2.gz AHMGMGIXVMLEES-LLVKDONJSA-N 1 1 249.310 1.777 20 10 BDCDMO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560520 966692211 /nfs/dbraw/zinc/69/22/11/966692211.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 1 1 246.354 1.918 20 10 BDCDMO COc1ccc(C[NH+]2CC3(C2)CCCO3)c(O)c1 ZINC001203622214 966710780 /nfs/dbraw/zinc/71/07/80/966710780.db2.gz UOKZJUZTSHVKHE-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)c(O)c1 ZINC001203634463 966713677 /nfs/dbraw/zinc/71/36/77/966713677.db2.gz HHNBIKZYJHGKSL-NSHDSACASA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)c(O)c1 ZINC001203634995 966713933 /nfs/dbraw/zinc/71/39/33/966713933.db2.gz FMHJMFUCXOWMEH-ZDUSSCGKSA-N 1 1 249.310 1.954 20 10 BDCDMO COc1ccc(C[N@H+]2CCCC23COC3)c(O)c1 ZINC001203627968 966714530 /nfs/dbraw/zinc/71/45/30/966714530.db2.gz SWGICMYVDFCCII-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1O ZINC001203635063 966716848 /nfs/dbraw/zinc/71/68/48/966716848.db2.gz IPDJXWTZPJCONI-LLVKDONJSA-N 1 1 237.299 1.622 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1O ZINC001203873273 966803688 /nfs/dbraw/zinc/80/36/88/966803688.db2.gz AMLJSWUFQUCLFS-JTQLQIEISA-N 1 1 223.272 1.055 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874627 966806218 /nfs/dbraw/zinc/80/62/18/966806218.db2.gz AUFWZXIOKNWFRP-JTQLQIEISA-N 1 1 223.272 1.319 20 10 BDCDMO OC[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203874035 966806552 /nfs/dbraw/zinc/80/65/52/966806552.db2.gz LQQKBYREDKSMEA-NSHDSACASA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(C[N@H+]2CCCC3(COC3)C2)cc1O ZINC001203875341 966806591 /nfs/dbraw/zinc/80/65/91/966806591.db2.gz LXWJESMYFGJBAZ-UHFFFAOYSA-N 1 1 249.310 1.710 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC001204281519 966957377 /nfs/dbraw/zinc/95/73/77/966957377.db2.gz TYJJWZIMAGMWRX-RYUDHWBXSA-N 1 1 249.310 1.566 20 10 BDCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277276 966957424 /nfs/dbraw/zinc/95/74/24/966957424.db2.gz ATUASHNAJXCZAP-GFCCVEGCSA-N 1 1 237.299 1.709 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001204281892 966957521 /nfs/dbraw/zinc/95/75/21/966957521.db2.gz ZFLFDGNHBAUYML-CNDDSTCGSA-N 1 1 237.274 1.745 20 10 BDCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204281074 966959677 /nfs/dbraw/zinc/95/96/77/966959677.db2.gz PKWAOBNZDHVGCB-GAJTVXKRSA-N 1 1 249.310 1.565 20 10 BDCDMO Cn1cc(C[N@H+]2CCc3cccc(O)c3C2)cn1 ZINC001205015499 967292384 /nfs/dbraw/zinc/29/23/84/967292384.db2.gz NJNARKNBSIHGCK-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO COCC[N@H+](C)Cc1c(O)cccc1F ZINC001137831580 967819765 /nfs/dbraw/zinc/81/97/65/967819765.db2.gz GCQWJXZNMVXCSF-UHFFFAOYSA-N 1 1 213.252 1.610 20 10 BDCDMO COCC[N@@H+](C)Cc1c(O)cccc1F ZINC001137831580 967819770 /nfs/dbraw/zinc/81/97/70/967819770.db2.gz GCQWJXZNMVXCSF-UHFFFAOYSA-N 1 1 213.252 1.610 20 10 BDCDMO Oc1cccc(F)c1C[NH+]1CC(C2COC2)C1 ZINC001137831744 967822574 /nfs/dbraw/zinc/82/25/74/967822574.db2.gz LXVJDEBVMMERDK-UHFFFAOYSA-N 1 1 237.274 1.610 20 10 BDCDMO Nc1ccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206683929 968430906 /nfs/dbraw/zinc/43/09/06/968430906.db2.gz NPEXBEVKJQFPGU-NSHDSACASA-N 1 1 241.285 1.437 20 10 BDCDMO C[C@H]1CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144504020 972850525 /nfs/dbraw/zinc/85/05/25/972850525.db2.gz ILBINRQAYKXAHW-ZETCQYMHSA-N 1 1 209.245 1.398 20 10 BDCDMO C[NH2+][C@H](C)CCNCc1cc(F)ccc1O ZINC001328677127 973256409 /nfs/dbraw/zinc/25/64/09/973256409.db2.gz KAXKTOKVKTWDTH-SECBINFHSA-N 1 1 226.295 1.619 20 10 BDCDMO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3C)cc1 ZINC001276924338 973304424 /nfs/dbraw/zinc/30/44/24/973304424.db2.gz IHXIUXPSKHFACP-KBPBESRZSA-N 1 1 232.327 1.978 20 10 BDCDMO COc1ccc(C[NH2+]Cc2ncc(C)o2)c(O)c1 ZINC000234939278 973789115 /nfs/dbraw/zinc/78/91/15/973789115.db2.gz FPRAHBYZRNLOSX-UHFFFAOYSA-N 1 1 248.282 1.987 20 10 BDCDMO NC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001334754593 976623182 /nfs/dbraw/zinc/62/31/82/976623182.db2.gz PHSKKEKDIBOROC-UHFFFAOYSA-N 1 1 245.370 1.868 20 10 BDCDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001336286232 977618580 /nfs/dbraw/zinc/61/85/80/977618580.db2.gz PNUBGHFTNIZYNH-GWCFXTLKSA-N 1 1 219.332 1.499 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@H]1F ZINC001231590797 977639928 /nfs/dbraw/zinc/63/99/28/977639928.db2.gz IBUKYLAFTNFGFR-NWDGAFQWSA-N 1 1 239.290 1.869 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1O ZINC001231590895 977640833 /nfs/dbraw/zinc/64/08/33/977640833.db2.gz KMUIIZBYTKTUJM-ZWNOBZJWSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(C[N@H+](C)C2COC2)c1O ZINC001231593144 977641941 /nfs/dbraw/zinc/64/19/41/977641941.db2.gz PTRPSKNMHSVVKA-UHFFFAOYSA-N 1 1 207.273 1.531 20 10 BDCDMO Cc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001231842546 977762246 /nfs/dbraw/zinc/76/22/46/977762246.db2.gz OAPKKSPYMSOHSD-VXGBXAGGSA-N 1 1 235.327 1.964 20 10 BDCDMO COCC[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232835164 978308609 /nfs/dbraw/zinc/30/86/09/978308609.db2.gz YJKNJCDIKJSFNG-UHFFFAOYSA-N 1 1 238.331 1.536 20 10 BDCDMO Oc1cc(C[NH+]2CCC(F)CC2)cc(O)c1O ZINC001233010883 978411784 /nfs/dbraw/zinc/41/17/84/978411784.db2.gz WKAUPVFQFNKWJG-UHFFFAOYSA-N 1 1 241.262 1.737 20 10 BDCDMO Oc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001204279095 978934707 /nfs/dbraw/zinc/93/47/07/978934707.db2.gz QLWWOPPELUQPMS-AWEZNQCLSA-N 1 1 249.310 1.853 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC001204280458 978943432 /nfs/dbraw/zinc/94/34/32/978943432.db2.gz KFINQBIUAPUWIO-RISCZKNCSA-N 1 1 249.310 1.709 20 10 BDCDMO OCCC[N@H+]1CCc2cccc(O)c2C1 ZINC001236072591 979360859 /nfs/dbraw/zinc/36/08/59/979360859.db2.gz LDLCWXPRWXSIOH-UHFFFAOYSA-N 1 1 207.273 1.133 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CN)c1O ZINC001236246420 979466242 /nfs/dbraw/zinc/46/62/42/979466242.db2.gz AJXFUSBNIAVYRM-LLVKDONJSA-N 1 1 236.315 1.329 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H]2CN)c1O ZINC001236246420 979466250 /nfs/dbraw/zinc/46/62/50/979466250.db2.gz AJXFUSBNIAVYRM-LLVKDONJSA-N 1 1 236.315 1.329 20 10 BDCDMO Nc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237410093 979885161 /nfs/dbraw/zinc/88/51/61/979885161.db2.gz BJLVEFHMFJTGGD-HIFRSBDPSA-N 1 1 245.370 1.843 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)C1COC1 ZINC001237490166 979918859 /nfs/dbraw/zinc/91/88/59/979918859.db2.gz QKINEDLBFPDYJD-UHFFFAOYSA-N 1 1 207.273 1.531 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001237488549 979920100 /nfs/dbraw/zinc/92/01/00/979920100.db2.gz ZTUZVOAUILEVCQ-GXTWGEPZSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC001238063518 980132531 /nfs/dbraw/zinc/13/25/31/980132531.db2.gz XRMOICRAOFOHPH-RYUDHWBXSA-N 1 1 237.274 1.813 20 10 BDCDMO Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC001238063518 980132533 /nfs/dbraw/zinc/13/25/33/980132533.db2.gz XRMOICRAOFOHPH-RYUDHWBXSA-N 1 1 237.274 1.813 20 10 BDCDMO COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001203601921 980149446 /nfs/dbraw/zinc/14/94/46/980149446.db2.gz RBKWAGGMELBJBU-VXGBXAGGSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001203601921 980149452 /nfs/dbraw/zinc/14/94/52/980149452.db2.gz RBKWAGGMELBJBU-VXGBXAGGSA-N 1 1 249.310 1.764 20 10 BDCDMO CCCC[C@@H](C[NH3+])NCc1ccc(N)cc1 ZINC001352790089 982581780 /nfs/dbraw/zinc/58/17/80/982581780.db2.gz OJPUTUXKBCYLOT-ZDUSSCGKSA-N 1 1 221.348 1.876 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@H]2CO)c(O)c1 ZINC000196423297 985759675 /nfs/dbraw/zinc/75/96/75/985759675.db2.gz IJZGPIBXDXORGG-LBPRGKRZSA-N 1 1 221.300 1.657 20 10 BDCDMO Oc1cccc(F)c1C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001462585527 986966035 /nfs/dbraw/zinc/96/60/35/986966035.db2.gz ADIFPSWEWIQDDG-QRTLGDNMSA-N 1 1 237.274 1.656 20 10 BDCDMO C[N@@H+](CCC(N)=O)Cc1ccc(Cl)cc1O ZINC001474509520 987737341 /nfs/dbraw/zinc/73/73/41/987737341.db2.gz QQCGWYUUGPRHDN-UHFFFAOYSA-N 1 1 242.706 1.353 20 10 BDCDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2O)CO1 ZINC001474611567 987777728 /nfs/dbraw/zinc/77/77/28/987777728.db2.gz XSBGBTDMKZMBSD-APPZFPTMSA-N 1 1 243.253 1.937 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)[C@@H](C)CN1C ZINC001120371046 989638137 /nfs/dbraw/zinc/63/81/37/989638137.db2.gz NSKVUXFKFFFPJV-RYUDHWBXSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N)cc1 ZINC001120371046 989638153 /nfs/dbraw/zinc/63/81/53/989638153.db2.gz NSKVUXFKFFFPJV-RYUDHWBXSA-N 1 1 233.359 1.793 20 10 BDCDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N)cc1 ZINC001120371046 989638192 /nfs/dbraw/zinc/63/81/92/989638192.db2.gz NSKVUXFKFFFPJV-RYUDHWBXSA-N 1 1 233.359 1.793 20 10 BDCDMO OC[C@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831527 990853094 /nfs/dbraw/zinc/85/30/94/990853094.db2.gz CUHRHCODABSDSA-JTQLQIEISA-N 1 1 239.290 1.736 20 10 BDCDMO OC[C@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831527 990853103 /nfs/dbraw/zinc/85/31/03/990853103.db2.gz CUHRHCODABSDSA-JTQLQIEISA-N 1 1 239.290 1.736 20 10 BDCDMO COC[C@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137833098 990854389 /nfs/dbraw/zinc/85/43/89/990854389.db2.gz SMVSWKBLOWLMPO-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO COC[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137833098 990854392 /nfs/dbraw/zinc/85/43/92/990854392.db2.gz SMVSWKBLOWLMPO-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137839093 990858871 /nfs/dbraw/zinc/85/88/71/990858871.db2.gz QYVMGINLKCGCEX-ZJUUUORDSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)cccc1F ZINC001137839093 990858875 /nfs/dbraw/zinc/85/88/75/990858875.db2.gz QYVMGINLKCGCEX-ZJUUUORDSA-N 1 1 239.290 1.877 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001138128297 990886566 /nfs/dbraw/zinc/88/65/66/990886566.db2.gz AVIWNGLPQJCVKZ-JOYOIKCWSA-N 1 1 237.274 1.752 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001138128297 990886567 /nfs/dbraw/zinc/88/65/67/990886567.db2.gz AVIWNGLPQJCVKZ-JOYOIKCWSA-N 1 1 237.274 1.752 20 10 BDCDMO C[N@@H+](Cc1ccnnc1)Cc1ccccc1O ZINC001139984987 991462546 /nfs/dbraw/zinc/46/25/46/991462546.db2.gz GMBUIDHWOLQIFK-UHFFFAOYSA-N 1 1 229.283 1.814 20 10 BDCDMO Oc1cc(Cl)ccc1C[NH+]1CC2(COC2)C1 ZINC001140461709 991643027 /nfs/dbraw/zinc/64/30/27/991643027.db2.gz RMJPSDOXKCTGEY-UHFFFAOYSA-N 1 1 239.702 1.878 20 10 BDCDMO Nc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001336286517 995000352 /nfs/dbraw/zinc/00/03/52/995000352.db2.gz QZZQPUFJFLKQLD-OCCSQVGLSA-N 1 1 231.343 1.453 20 10 BDCDMO Cc1cc(Cl)cc(C[N@@H+](C)CC(N)=O)c1O ZINC000271808247 178063063 /nfs/dbraw/zinc/06/30/63/178063063.db2.gz MUGHANAHWNSGSS-UHFFFAOYSA-N 1 1 242.706 1.271 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1C ZINC000295127930 178196079 /nfs/dbraw/zinc/19/60/79/178196079.db2.gz YDFVELAZHNWKQZ-NSHDSACASA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1C ZINC000295127930 178196081 /nfs/dbraw/zinc/19/60/81/178196081.db2.gz YDFVELAZHNWKQZ-NSHDSACASA-N 1 1 248.326 1.329 20 10 BDCDMO C[C@H]([NH2+]CC(C)(C)O)c1ccc(F)cc1O ZINC000083461080 398282146 /nfs/dbraw/zinc/28/21/46/398282146.db2.gz YQCOTEKADQZOKC-QMMMGPOBSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1O ZINC000180036755 347009712 /nfs/dbraw/zinc/00/97/12/347009712.db2.gz TZLNVVDFGSZKFD-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)c1O ZINC000180036755 347009714 /nfs/dbraw/zinc/00/97/14/347009714.db2.gz TZLNVVDFGSZKFD-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(C[N@@H+](C)CCC(N)=O)c1O ZINC000289839618 179064027 /nfs/dbraw/zinc/06/40/27/179064027.db2.gz UPJDYMVLLGJVOH-UHFFFAOYSA-N 1 1 222.288 1.008 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC(=O)NCC2(C)C)c1O ZINC000282662991 179070955 /nfs/dbraw/zinc/07/09/55/179070955.db2.gz GWRVVSCBPKSBED-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(C[N@H+]2CC(=O)NCC2(C)C)c1O ZINC000282662991 179070961 /nfs/dbraw/zinc/07/09/61/179070961.db2.gz GWRVVSCBPKSBED-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000191718056 179081045 /nfs/dbraw/zinc/08/10/45/179081045.db2.gz QUOPUBDHHNCQKM-YPMHNXCESA-N 1 1 235.327 1.761 20 10 BDCDMO CCN(CC)c1ccc(C[N@@H+](C)CCO)cc1 ZINC000077253399 191006324 /nfs/dbraw/zinc/00/63/24/191006324.db2.gz YNXBWWFVZOLSFW-UHFFFAOYSA-N 1 1 236.359 1.957 20 10 BDCDMO Cc1[nH+]ccn1CC(=O)c1ccc(O)c(O)c1 ZINC000036389219 180233267 /nfs/dbraw/zinc/23/32/67/180233267.db2.gz KSGAXVJQIURHFA-UHFFFAOYSA-N 1 1 232.239 1.486 20 10 BDCDMO OCC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272218859 183040353 /nfs/dbraw/zinc/04/03/53/183040353.db2.gz BOAFILOYYJLIQT-UHFFFAOYSA-N 1 1 239.290 1.736 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293913877 183274814 /nfs/dbraw/zinc/27/48/14/183274814.db2.gz GDWUSTCFANAFFI-GFCCVEGCSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCn2cncc2C1 ZINC000291443715 183301132 /nfs/dbraw/zinc/30/11/32/183301132.db2.gz CBBPUJAFRJJLLT-UHFFFAOYSA-N 1 1 229.283 1.605 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCn2cncc2C1 ZINC000291443715 183301133 /nfs/dbraw/zinc/30/11/33/183301133.db2.gz CBBPUJAFRJJLLT-UHFFFAOYSA-N 1 1 229.283 1.605 20 10 BDCDMO CC[N@@H+](CCO)Cc1cc(OC)ccc1O ZINC000132478122 384233832 /nfs/dbraw/zinc/23/38/32/384233832.db2.gz YMHVSTXJPSINHN-UHFFFAOYSA-N 1 1 225.288 1.215 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000126331619 384793479 /nfs/dbraw/zinc/79/34/79/384793479.db2.gz JGLDZUNBJMBOIK-LLVKDONJSA-N 1 1 238.306 1.458 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000084933961 384905107 /nfs/dbraw/zinc/90/51/07/384905107.db2.gz AUOMXQXYXSTDNS-ZDUSSCGKSA-N 1 1 220.316 1.319 20 10 BDCDMO CSC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000188058267 385007310 /nfs/dbraw/zinc/00/73/10/385007310.db2.gz PIDAIOCMMSKTKQ-NSHDSACASA-N 1 1 241.356 1.548 20 10 BDCDMO C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062745808 385187714 /nfs/dbraw/zinc/18/77/14/385187714.db2.gz XANCXORUHDNVIG-YUMQZZPRSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193447876 385397182 /nfs/dbraw/zinc/39/71/82/385397182.db2.gz USNRPKRXNJGVIE-NSHDSACASA-N 1 1 222.332 1.565 20 10 BDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000179661008 385481473 /nfs/dbraw/zinc/48/14/73/385481473.db2.gz HFYCYAGMWGRWNV-LBPRGKRZSA-N 1 1 249.310 1.838 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 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ZINC000897680529 584037820 /nfs/dbraw/zinc/03/78/20/584037820.db2.gz SGAMOMRIGLTCBV-GXFFZTMASA-N 1 1 235.327 1.767 20 10 BDCDMO COc1ccc(O)c(C[NH2+]Cc2ccon2)c1 ZINC000148756136 584042852 /nfs/dbraw/zinc/04/28/52/584042852.db2.gz BRDBWULHTSRCOF-UHFFFAOYSA-N 1 1 234.255 1.679 20 10 BDCDMO COc1cccc(CNC[C@@H]([NH3+])C2CC2)c1O ZINC000841049684 584124994 /nfs/dbraw/zinc/12/49/94/584124994.db2.gz MTXCWEIXTDTYOB-LLVKDONJSA-N 1 1 236.315 1.228 20 10 BDCDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1O ZINC000898541693 584141433 /nfs/dbraw/zinc/14/14/33/584141433.db2.gz NZXQXZPQOWFOLK-GFCCVEGCSA-N 1 1 248.326 1.493 20 10 BDCDMO C[C@H]([NH2+]C[C@@H]1CCN1C)c1c(O)cccc1F ZINC000903316347 584749692 /nfs/dbraw/zinc/74/96/92/584749692.db2.gz OCHASULLHVTJEC-UWVGGRQHSA-N 1 1 238.306 1.886 20 10 BDCDMO CNCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817951068 584991962 /nfs/dbraw/zinc/99/19/62/584991962.db2.gz AWLZTZIGBHAJHS-NSHDSACASA-N 1 1 222.332 1.879 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CCCNC1)c1ccccc1O ZINC000817939749 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ZINC000814178827 586616169 /nfs/dbraw/zinc/61/61/69/586616169.db2.gz DZFHZEWMFRWAEJ-LLVKDONJSA-N 1 1 249.310 1.918 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000816647976 586750542 /nfs/dbraw/zinc/75/05/42/586750542.db2.gz BNZVJOYIFQIKHK-BDAKNGLRSA-N 1 1 235.283 1.961 20 10 BDCDMO C[C@@H](NCc1ccc2c(c1)CCO2)C1C[NH2+]C1 ZINC000817902010 586836528 /nfs/dbraw/zinc/83/65/28/586836528.db2.gz GPSPWEHLIQSBMW-SNVBAGLBSA-N 1 1 232.327 1.319 20 10 BDCDMO C[C@H]1C[C@H]([NH2+]CCN)c2c1c(F)ccc2O ZINC000817935452 586842925 /nfs/dbraw/zinc/84/29/25/586842925.db2.gz WERXVXVPVNSXCG-CBAPKCEASA-N 1 1 224.279 1.628 20 10 BDCDMO CCNCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817951316 586847543 /nfs/dbraw/zinc/84/75/43/586847543.db2.gz DFHHVKYRHCWEJQ-NSHDSACASA-N 1 1 220.316 1.579 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000817977102 586860707 /nfs/dbraw/zinc/86/07/07/586860707.db2.gz BIKYSOBCTZOOGZ-AEJSXWLSSA-N 1 1 238.331 1.787 20 10 BDCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](C)N)c1 ZINC000817977102 586860710 /nfs/dbraw/zinc/86/07/10/586860710.db2.gz BIKYSOBCTZOOGZ-AEJSXWLSSA-N 1 1 238.331 1.787 20 10 BDCDMO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000817978196 586861584 /nfs/dbraw/zinc/86/15/84/586861584.db2.gz YGOVDJQJUIHOOZ-GUBZILKMSA-N 1 1 208.305 1.779 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825103981 587304444 /nfs/dbraw/zinc/30/44/44/587304444.db2.gz JOMPPJSJJFXIJL-ZYHUDNBSSA-N 1 1 221.300 1.656 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827832560 587404986 /nfs/dbraw/zinc/40/49/86/587404986.db2.gz OTDPEJSTMNIOSP-ZKCHVHJHSA-N 1 1 245.681 1.798 20 10 BDCDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1O ZINC000827977948 587414372 /nfs/dbraw/zinc/41/43/72/587414372.db2.gz DARVTNUONIKZOJ-JQWIXIFHSA-N 1 1 248.326 1.664 20 10 BDCDMO NC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000841028684 587936360 /nfs/dbraw/zinc/93/63/60/587936360.db2.gz QSCGWDHUPPQQSD-CYBMUJFWSA-N 1 1 232.327 1.448 20 10 BDCDMO NC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000841028687 587936538 /nfs/dbraw/zinc/93/65/38/587936538.db2.gz QSCGWDHUPPQQSD-ZDUSSCGKSA-N 1 1 232.327 1.448 20 10 BDCDMO CC[NH2+]CCNCc1c(O)ccc(Cl)c1F ZINC000841036137 587937468 /nfs/dbraw/zinc/93/74/68/587937468.db2.gz ORUBTBKLAAUNLV-UHFFFAOYSA-N 1 1 246.713 1.884 20 10 BDCDMO COc1ccc(O)c(C[NH2+][C@H]2CCCNC2)c1 ZINC000841042260 587938367 /nfs/dbraw/zinc/93/83/67/587938367.db2.gz HQOPMCQRAFBVIG-NSHDSACASA-N 1 1 236.315 1.242 20 10 BDCDMO COc1cccc(CN[C@H](C)[C@@H](C)[NH3+])c1O ZINC000841080717 587942748 /nfs/dbraw/zinc/94/27/48/587942748.db2.gz QAPHWWKOFKXCRY-RKDXNWHRSA-N 1 1 224.304 1.226 20 10 BDCDMO COc1cccc(CN[C@@H](C)[C@H](C)[NH3+])c1O ZINC000841080714 587944670 /nfs/dbraw/zinc/94/46/70/587944670.db2.gz QAPHWWKOFKXCRY-IUCAKERBSA-N 1 1 224.304 1.226 20 10 BDCDMO C[NH2+]CCN(C)Cc1c(O)ccc(Cl)c1F ZINC000843057665 588077798 /nfs/dbraw/zinc/07/77/98/588077798.db2.gz QLLZAUXMSBWMPH-UHFFFAOYSA-N 1 1 246.713 1.836 20 10 BDCDMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058046 588077887 /nfs/dbraw/zinc/07/78/87/588077887.db2.gz NZRRFYRTVYDVOW-UWVGGRQHSA-N 1 1 238.306 1.700 20 10 BDCDMO Oc1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843104943 588081783 /nfs/dbraw/zinc/08/17/83/588081783.db2.gz NUGUIHJKLKCIMC-BETUJISGSA-N 1 1 232.327 1.719 20 10 BDCDMO Oc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843104943 588081785 /nfs/dbraw/zinc/08/17/85/588081785.db2.gz NUGUIHJKLKCIMC-BETUJISGSA-N 1 1 232.327 1.719 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC000848890285 588418039 /nfs/dbraw/zinc/41/80/39/588418039.db2.gz RMSDREBCBMOGIO-CQSZACIVSA-N 1 1 235.327 1.911 20 10 BDCDMO [NH3+]C1(CNCc2ccccc2O)CCCC1 ZINC000849349810 588474247 /nfs/dbraw/zinc/47/42/47/588474247.db2.gz JMIUXHCTFVWAQY-UHFFFAOYSA-N 1 1 220.316 1.753 20 10 BDCDMO COC(CC[N@@H+](C)Cc1ccccc1O)OC ZINC000851841705 588634187 /nfs/dbraw/zinc/63/41/87/588634187.db2.gz WVMVLAHIRIJNHS-UHFFFAOYSA-N 1 1 239.315 1.833 20 10 BDCDMO C[C@H]1C[NH+](Cc2ccccc2O)C[C@H](C)N1 ZINC000019366943 589889450 /nfs/dbraw/zinc/88/94/50/589889450.db2.gz LHONBGORYCTZFI-QWRGUYRKSA-N 1 1 220.316 1.574 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872265248 589901955 /nfs/dbraw/zinc/90/19/55/589901955.db2.gz GEQKXLILUNODFG-TXEJJXNPSA-N 1 1 233.311 1.779 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873216547 589997850 /nfs/dbraw/zinc/99/78/50/589997850.db2.gz QEJHFQGAHXODOZ-MWLCHTKSSA-N 1 1 238.306 1.558 20 10 BDCDMO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000876504302 590204029 /nfs/dbraw/zinc/20/40/29/590204029.db2.gz MEEFZWSMLJNFRZ-JTQLQIEISA-N 1 1 233.315 1.549 20 10 BDCDMO Cc1ccc(C[N@H+](CCO)C(C)C)c(O)c1 ZINC000876539113 590212233 /nfs/dbraw/zinc/21/22/33/590212233.db2.gz VIYCZDPGIHIYOC-UHFFFAOYSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000876561253 590215716 /nfs/dbraw/zinc/21/57/16/590215716.db2.gz PEGNFHSLERUCNX-LLVKDONJSA-N 1 1 207.273 1.267 20 10 BDCDMO Cc1ccc(C[N@H+](C)CC(C)(C)O)c(O)c1 ZINC000876736909 590234377 /nfs/dbraw/zinc/23/43/77/590234377.db2.gz MRRXVNXANYSWSV-UHFFFAOYSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CC(C)(C)O ZINC000876737275 590235254 /nfs/dbraw/zinc/23/52/54/590235254.db2.gz PHWQNPFRIUAZOF-UHFFFAOYSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c(O)c1 ZINC000877183263 590298146 /nfs/dbraw/zinc/29/81/46/590298146.db2.gz BECMAKMANVUXGM-VXGBXAGGSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+](C)CC2(CO)CC2)c(O)c1 ZINC000877462842 590333052 /nfs/dbraw/zinc/33/30/52/590333052.db2.gz WBBBDKBWLPGVHS-UHFFFAOYSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC000877468071 590333623 /nfs/dbraw/zinc/33/36/23/590333623.db2.gz YCMCPUSIMCDOAG-PWSUYJOCSA-N 1 1 221.300 1.656 20 10 BDCDMO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1O ZINC000877491654 590340341 /nfs/dbraw/zinc/34/03/41/590340341.db2.gz UTJFNTORXZADPJ-SNVBAGLBSA-N 1 1 237.299 1.694 20 10 BDCDMO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000877491654 590340343 /nfs/dbraw/zinc/34/03/43/590340343.db2.gz UTJFNTORXZADPJ-SNVBAGLBSA-N 1 1 237.299 1.694 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877551296 590355032 /nfs/dbraw/zinc/35/50/32/590355032.db2.gz YTTIPAOTBIZNKZ-VIFPVBQESA-N 1 1 243.253 1.891 20 10 BDCDMO COC[C@@H]1CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877551296 590355035 /nfs/dbraw/zinc/35/50/35/590355035.db2.gz YTTIPAOTBIZNKZ-VIFPVBQESA-N 1 1 243.253 1.891 20 10 BDCDMO COC[C@@H](C)C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702602 590395628 /nfs/dbraw/zinc/39/56/28/590395628.db2.gz DFKYLZKIRSRUKK-JTQLQIEISA-N 1 1 221.300 1.990 20 10 BDCDMO Cc1nn(C)cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703236 590396591 /nfs/dbraw/zinc/39/65/91/590396591.db2.gz XQCMEINNERBGPI-UHFFFAOYSA-N 1 1 243.310 1.950 20 10 BDCDMO Cc1nn(C)cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703236 590396593 /nfs/dbraw/zinc/39/65/93/590396593.db2.gz XQCMEINNERBGPI-UHFFFAOYSA-N 1 1 243.310 1.950 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000128091939 590892465 /nfs/dbraw/zinc/89/24/65/590892465.db2.gz MZBRNXNWXONPHB-LLVKDONJSA-N 1 1 207.273 1.267 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880419992 591028680 /nfs/dbraw/zinc/02/86/80/591028680.db2.gz VKXGUSVDAHKMIH-JSGCOSHPSA-N 1 1 232.327 1.319 20 10 BDCDMO OC[C@H](CCF)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883158560 591556186 /nfs/dbraw/zinc/55/61/86/591556186.db2.gz KRHDVRKFHIVIAH-VIFPVBQESA-N 1 1 249.232 1.481 20 10 BDCDMO C[C@H]([NH2+]CCCO)c1c(O)cccc1F ZINC000886489884 592235684 /nfs/dbraw/zinc/23/56/84/592235684.db2.gz UEBCKCWMPMJWJC-QMMMGPOBSA-N 1 1 213.252 1.564 20 10 BDCDMO c1cc(CNC[C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000258987921 635230248 /nfs/dbraw/zinc/23/02/48/635230248.db2.gz LNNPDHRPPNAGCV-ZDUSSCGKSA-N 1 1 246.354 1.711 20 10 BDCDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000121627132 636352613 /nfs/dbraw/zinc/35/26/13/636352613.db2.gz WALKUKJTXDMVRC-UHFFFAOYSA-N 1 1 249.358 1.448 20 10 BDCDMO CN(C)c1ccc(/C=C\CNC2CC([NH3+])C2)cc1 ZINC000906509926 638181827 /nfs/dbraw/zinc/18/18/27/638181827.db2.gz CUQVXPOELARUML-ARJAWSKDSA-N 1 1 245.370 1.845 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000054763709 640404802 /nfs/dbraw/zinc/40/48/02/640404802.db2.gz YOQDWRFVZGCLAZ-UHFFFAOYSA-N 1 1 230.315 1.766 20 10 BDCDMO Oc1cc2c(cc1C[NH+]1CCOCC1)CCC2 ZINC000058584295 640720387 /nfs/dbraw/zinc/72/03/87/640720387.db2.gz OQLCHIHOYHMVLX-UHFFFAOYSA-N 1 1 233.311 1.713 20 10 BDCDMO C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000040716231 641535586 /nfs/dbraw/zinc/53/55/86/641535586.db2.gz MSXADGIAQGGGJO-GFCCVEGCSA-N 1 1 248.330 1.485 20 10 BDCDMO OCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190673042 641880498 /nfs/dbraw/zinc/88/04/98/641880498.db2.gz ZTSKPDVPTGFPJK-UHFFFAOYSA-N 1 1 233.670 1.657 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000080532156 644274261 /nfs/dbraw/zinc/27/42/61/644274261.db2.gz IIFDDDCGWQPLLB-UHFFFAOYSA-N 1 1 245.330 1.171 20 10 BDCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]CC1 ZINC000096879591 644846907 /nfs/dbraw/zinc/84/69/07/644846907.db2.gz LKBPQDODDZUTSV-UHFFFAOYSA-N 1 1 244.697 1.590 20 10 BDCDMO C[C@H]1[NH2+]CCC[C@@H]1NCCc1ccc(N)cc1 ZINC000925689554 646416081 /nfs/dbraw/zinc/41/60/81/646416081.db2.gz BXKNOEXKDGFNJK-RISCZKNCSA-N 1 1 233.359 1.541 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]Cc2csnn2)c1 ZINC000398499326 711710822 /nfs/dbraw/zinc/71/08/22/711710822.db2.gz YXZJSSBGWAALRN-UHFFFAOYSA-N 1 1 235.312 1.842 20 10 BDCDMO CC1(C)C[N@H+](Cc2ccccc2O)C[C@H]1N ZINC000720745508 712863325 /nfs/dbraw/zinc/86/33/25/712863325.db2.gz CFHPTRZHOGIRSW-GFCCVEGCSA-N 1 1 220.316 1.561 20 10 BDCDMO CC1(C)C[N@@H+](Cc2ccccc2O)C[C@H]1N ZINC000720745508 712863327 /nfs/dbraw/zinc/86/33/27/712863327.db2.gz CFHPTRZHOGIRSW-GFCCVEGCSA-N 1 1 220.316 1.561 20 10 BDCDMO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000386108817 711021560 /nfs/dbraw/zinc/02/15/60/711021560.db2.gz LCDURRBYRSSPMM-SWLSCSKDSA-N 1 1 247.386 1.840 20 10 BDCDMO C[C@H]1NCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726131 711368928 /nfs/dbraw/zinc/36/89/28/711368928.db2.gz YSWDGASQCPBEAK-DOMZBBRYSA-N 1 1 247.386 1.983 20 10 BDCDMO Oc1cccc2c1[C@H]([NH2+]Cc1ncccn1)CC2 ZINC000702323150 712047224 /nfs/dbraw/zinc/04/72/24/712047224.db2.gz HADSMENJEUUAGW-LLVKDONJSA-N 1 1 241.294 1.959 20 10 BDCDMO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccccc1O)C2 ZINC000702596642 712056382 /nfs/dbraw/zinc/05/63/82/712056382.db2.gz GTNUNYTUEULYJC-GASCZTMLSA-N 1 1 246.354 1.824 20 10 BDCDMO COCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708390957 712191854 /nfs/dbraw/zinc/19/18/54/712191854.db2.gz RWDOWKGRKMFUHM-UHFFFAOYSA-N 1 1 217.215 1.406 20 10 BDCDMO C[C@H]1NCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000379445587 712385091 /nfs/dbraw/zinc/38/50/91/712385091.db2.gz WWYVHIASCSBOMC-MNOVXSKESA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@H]1NCC[N@@H+](Cc2ccccc2O)[C@H]1C ZINC000379445587 712385092 /nfs/dbraw/zinc/38/50/92/712385092.db2.gz WWYVHIASCSBOMC-MNOVXSKESA-N 1 1 220.316 1.574 20 10 BDCDMO CN1CC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000712583096 712434061 /nfs/dbraw/zinc/43/40/61/712434061.db2.gz WZDANEXUJNUIOS-SNVBAGLBSA-N 1 1 242.269 1.464 20 10 BDCDMO C[C@H]([NH2+]CCN)c1ccc(N(C)C)cc1 ZINC000037712896 712744620 /nfs/dbraw/zinc/74/46/20/712744620.db2.gz BLLWKDDEPSYKPD-JTQLQIEISA-N 1 1 207.321 1.362 20 10 BDCDMO Cc1ccc(C[NH+]2CCC(=O)CC2)c(O)c1 ZINC001140948177 960745346 /nfs/dbraw/zinc/74/53/46/960745346.db2.gz WQPBEFCTWHPDLQ-UHFFFAOYSA-N 1 1 219.284 1.866 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)C1(C)COC1 ZINC001237487521 979919414 /nfs/dbraw/zinc/91/94/14/979919414.db2.gz JNYPOCLMAOZKQX-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO OC[C@@]1(F)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155968 960407511 /nfs/dbraw/zinc/40/75/11/960407511.db2.gz CFHSYSGMBHIFFR-GFCCVEGCSA-N 1 1 241.262 1.004 20 10 BDCDMO OC[C@@]1(F)CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141155968 960407520 /nfs/dbraw/zinc/40/75/20/960407520.db2.gz CFHSYSGMBHIFFR-GFCCVEGCSA-N 1 1 241.262 1.004 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC001140617287 960460469 /nfs/dbraw/zinc/46/04/69/960460469.db2.gz LCATXUBJSZUCIO-UHFFFAOYSA-N 1 1 207.273 1.721 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2CC(N(C)C)C2)c1 ZINC001140617726 960461732 /nfs/dbraw/zinc/46/17/32/960461732.db2.gz ZHBFYYPADZREBT-UHFFFAOYSA-N 1 1 220.316 1.446 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001140623253 960464961 /nfs/dbraw/zinc/46/49/61/960464961.db2.gz MHGUBMIUBVEPOM-SMDDNHRTSA-N 1 1 233.311 1.921 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](F)C2)c1O ZINC001140743897 960543789 /nfs/dbraw/zinc/54/37/89/960543789.db2.gz DMVCRLXHWBJCHL-JTQLQIEISA-N 1 1 225.263 1.950 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001140948003 960739722 /nfs/dbraw/zinc/73/97/22/960739722.db2.gz PABOUAWVCLDGAN-AAEUAGOBSA-N 1 1 235.327 1.903 20 10 BDCDMO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141156289 960890681 /nfs/dbraw/zinc/89/06/81/960890681.db2.gz IZIGNHJZFCSLCJ-VIFPVBQESA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141156289 960890682 /nfs/dbraw/zinc/89/06/82/960890682.db2.gz IZIGNHJZFCSLCJ-VIFPVBQESA-N 1 1 223.272 1.319 20 10 BDCDMO CC1(C)C[N@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141160180 960897764 /nfs/dbraw/zinc/89/77/64/960897764.db2.gz SJRSACIELNNNBR-UHFFFAOYSA-N 1 1 249.310 1.899 20 10 BDCDMO CC1(C)C[N@@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141160180 960897768 /nfs/dbraw/zinc/89/77/68/960897768.db2.gz SJRSACIELNNNBR-UHFFFAOYSA-N 1 1 249.310 1.899 20 10 BDCDMO CO[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010120 965453743 /nfs/dbraw/zinc/45/37/43/965453743.db2.gz LHWNINJDONQIDI-VIFPVBQESA-N 1 1 239.271 1.024 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010120 965453755 /nfs/dbraw/zinc/45/37/55/965453755.db2.gz LHWNINJDONQIDI-VIFPVBQESA-N 1 1 239.271 1.024 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001203550488 966681404 /nfs/dbraw/zinc/68/14/04/966681404.db2.gz VZVIWORKPTVCBF-AAEUAGOBSA-N 1 1 239.290 1.687 20 10 BDCDMO COc1ccc(C[N@@H+](C)CCF)c(O)c1 ZINC001203635477 966713098 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1.626 20 10 BDCDMO Oc1cccc(F)c1C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001462585528 986969912 /nfs/dbraw/zinc/96/99/12/986969912.db2.gz ADIFPSWEWIQDDG-UBHAPETDSA-N 1 1 237.274 1.656 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690779168 987279009 /nfs/dbraw/zinc/27/90/09/987279009.db2.gz AEVXFSPOLMLKGW-OLZOCXBDSA-N 1 1 233.311 1.861 20 10 BDCDMO CN(C(=O)C1([NH+](C)C)CC1)c1ccc(N)cc1 ZINC001522216081 989838176 /nfs/dbraw/zinc/83/81/76/989838176.db2.gz HGQGHWDVUOAPAH-UHFFFAOYSA-N 1 1 233.315 1.326 20 10 BDCDMO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(O)cccc1F ZINC001137833097 990853307 /nfs/dbraw/zinc/85/33/07/990853307.db2.gz SLXRBTQZHNCZHU-UWVGGRQHSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c(O)cccc1F ZINC001137833097 990853310 /nfs/dbraw/zinc/85/33/10/990853310.db2.gz SLXRBTQZHNCZHU-UWVGGRQHSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2F)C[C@@H]1O ZINC001137832847 990856194 /nfs/dbraw/zinc/85/61/94/990856194.db2.gz JZJDIVRRWGDXDJ-UFBFGSQYSA-N 1 1 225.263 1.344 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@@H]1O ZINC001137832847 990856195 /nfs/dbraw/zinc/85/61/95/990856195.db2.gz JZJDIVRRWGDXDJ-UFBFGSQYSA-N 1 1 225.263 1.344 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CCCC[C@@H](O)C1 ZINC001137833017 990857444 /nfs/dbraw/zinc/85/74/44/990857444.db2.gz PUJGVXIGIHZWEH-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001137833017 990857447 /nfs/dbraw/zinc/85/74/47/990857447.db2.gz PUJGVXIGIHZWEH-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO CN(Cc1c(O)cccc1F)[C@H]1CC[N@@H+](C)C1 ZINC001137837568 990858376 /nfs/dbraw/zinc/85/83/76/990858376.db2.gz MDCSMIMPRPBZNF-JTQLQIEISA-N 1 1 238.306 1.667 20 10 BDCDMO OC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC001138122527 990885057 /nfs/dbraw/zinc/88/50/57/990885057.db2.gz LAJRMMSDSXDMQT-NSHDSACASA-N 1 1 239.290 1.878 20 10 BDCDMO OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC001138122527 990885059 /nfs/dbraw/zinc/88/50/59/990885059.db2.gz LAJRMMSDSXDMQT-NSHDSACASA-N 1 1 239.290 1.878 20 10 BDCDMO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001138124028 990887226 /nfs/dbraw/zinc/88/72/26/990887226.db2.gz VUYHDVJGZCDORV-LLVKDONJSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001138124028 990887228 /nfs/dbraw/zinc/88/72/28/990887228.db2.gz VUYHDVJGZCDORV-LLVKDONJSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001138124028 990887229 /nfs/dbraw/zinc/88/72/29/990887229.db2.gz VUYHDVJGZCDORV-LLVKDONJSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001140058317 991506275 /nfs/dbraw/zinc/50/62/75/991506275.db2.gz WWOVZAHNKOIAON-CMPLNLGQSA-N 1 1 243.253 1.436 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC001140178835 991552480 /nfs/dbraw/zinc/55/24/80/991552480.db2.gz ZIASHKQRANJSGI-VXGBXAGGSA-N 1 1 235.327 1.964 20 10 BDCDMO Cc1ccc(C)c(C[NH+]2CC(N(C)C)C2)c1O ZINC001140178199 991553161 /nfs/dbraw/zinc/55/31/61/991553161.db2.gz CFCZNBOLTHWJJP-UHFFFAOYSA-N 1 1 234.343 1.755 20 10 BDCDMO C[NH2+]C[C@@H](C)CNCc1ccc2c(c1)CCCO2 ZINC001262487706 992893030 /nfs/dbraw/zinc/89/30/30/992893030.db2.gz BQABGGLVVDOIPS-GFCCVEGCSA-N 1 1 248.370 1.957 20 10 BDCDMO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N)cc1 ZINC001262488022 992893352 /nfs/dbraw/zinc/89/33/52/992893352.db2.gz NHJHSUKEKXTZIF-CYBMUJFWSA-N 1 1 247.342 1.369 20 10 BDCDMO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)cc1 ZINC001262488022 992893354 /nfs/dbraw/zinc/89/33/54/992893354.db2.gz NHJHSUKEKXTZIF-CYBMUJFWSA-N 1 1 247.342 1.369 20 10 BDCDMO C[C@@H](CCN(C)C)[NH2+]Cc1ccccc1O ZINC000049551970 343601960 /nfs/dbraw/zinc/60/19/60/343601960.db2.gz FZVJFKUZOJVXRQ-NSHDSACASA-N 1 1 222.332 1.822 20 10 BDCDMO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000128158791 343787212 /nfs/dbraw/zinc/78/72/12/343787212.db2.gz WVHGSLIFJYTGIM-JTQLQIEISA-N 1 1 227.691 1.612 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000377888769 178794334 /nfs/dbraw/zinc/79/43/34/178794334.db2.gz LYTNKKBEFQGABI-LLVKDONJSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(C[N@@H+](C)CC(=O)NC2CC2)c1O ZINC000179606749 179064059 /nfs/dbraw/zinc/06/40/59/179064059.db2.gz AHVGYTUNTIJLHC-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000293547809 353748406 /nfs/dbraw/zinc/74/84/06/353748406.db2.gz YQPQHQQIZYXCLG-LBPRGKRZSA-N 1 1 236.359 1.955 20 10 BDCDMO CC[N@@H+](Cc1cccc(C)c1O)[C@@H](C)CO ZINC000293731288 353755766 /nfs/dbraw/zinc/75/57/66/353755766.db2.gz UVBWGOVPHXIRCM-NSHDSACASA-N 1 1 223.316 1.903 20 10 BDCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000155066355 181269495 /nfs/dbraw/zinc/26/94/95/181269495.db2.gz AXLMESDZKPNYKB-LLVKDONJSA-N 1 1 234.299 1.090 20 10 BDCDMO OC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000124984806 183149579 /nfs/dbraw/zinc/14/95/79/183149579.db2.gz VWOKGBNPRSQDFQ-NSHDSACASA-N 1 1 221.300 1.597 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000369677028 183301864 /nfs/dbraw/zinc/30/18/64/183301864.db2.gz UXTNDGUCSCVWOD-CQSZACIVSA-N 1 1 233.311 1.739 20 10 BDCDMO Oc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179556154 183302050 /nfs/dbraw/zinc/30/20/50/183302050.db2.gz MHZMEHGZIMHYGU-FUNVUKJBSA-N 1 1 233.311 1.880 20 10 BDCDMO CCCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109770301 169219417 /nfs/dbraw/zinc/21/94/17/169219417.db2.gz YFZKMHITSQPTLI-UHFFFAOYSA-N 1 1 236.315 1.350 20 10 BDCDMO COC(=O)CCC[N@@H+](C)Cc1ccccc1O ZINC000117340675 384171594 /nfs/dbraw/zinc/17/15/94/384171594.db2.gz BANPFEMJUNBSAT-UHFFFAOYSA-N 1 1 237.299 1.777 20 10 BDCDMO CC[N@@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000158657819 384254807 /nfs/dbraw/zinc/25/48/07/384254807.db2.gz JEQVHWQHEMBHMI-UHFFFAOYSA-N 1 1 240.322 1.706 20 10 BDCDMO CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1O ZINC000173359171 384678195 /nfs/dbraw/zinc/67/81/95/384678195.db2.gz VXFLIOGTTNYIAI-NSHDSACASA-N 1 1 237.299 1.776 20 10 BDCDMO CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1O ZINC000173359171 384678203 /nfs/dbraw/zinc/67/82/03/384678203.db2.gz VXFLIOGTTNYIAI-NSHDSACASA-N 1 1 237.299 1.776 20 10 BDCDMO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000082992698 384735068 /nfs/dbraw/zinc/73/50/68/384735068.db2.gz VCDALLODMMEJHN-RKDXNWHRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000083218840 384752158 /nfs/dbraw/zinc/75/21/58/384752158.db2.gz KEVIVFIWRQBOCL-RKDXNWHRSA-N 1 1 227.279 1.810 20 10 BDCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2O)C1 ZINC000179582928 385475686 /nfs/dbraw/zinc/47/56/86/385475686.db2.gz WCFBBGSXOXONKM-AWEZNQCLSA-N 1 1 249.310 1.777 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1O ZINC000180036770 385503728 /nfs/dbraw/zinc/50/37/28/385503728.db2.gz TZLNVVDFGSZKFD-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)c1O ZINC000180036770 385503731 /nfs/dbraw/zinc/50/37/31/385503731.db2.gz TZLNVVDFGSZKFD-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)CO)c1O ZINC000289386200 386296114 /nfs/dbraw/zinc/29/61/14/386296114.db2.gz DFJISQKCNJBOGQ-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO CN(CC[N@@H+](C)C1CC1)Cc1ccccc1O ZINC000290443427 386435491 /nfs/dbraw/zinc/43/54/91/386435491.db2.gz LXHDXYTZVOHDAI-UHFFFAOYSA-N 1 1 234.343 1.918 20 10 BDCDMO CN(CC[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000290443427 386435496 /nfs/dbraw/zinc/43/54/96/386435496.db2.gz LXHDXYTZVOHDAI-UHFFFAOYSA-N 1 1 234.343 1.918 20 10 BDCDMO CN(CC[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000290443427 386435499 /nfs/dbraw/zinc/43/54/99/386435499.db2.gz LXHDXYTZVOHDAI-UHFFFAOYSA-N 1 1 234.343 1.918 20 10 BDCDMO C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293628726 386667406 /nfs/dbraw/zinc/66/74/06/386667406.db2.gz NBIFQZHNLMYIFE-LURJTMIESA-N 1 1 233.670 1.655 20 10 BDCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293927984 386670943 /nfs/dbraw/zinc/67/09/43/386670943.db2.gz HDIVWLXCDVBFIZ-NSHDSACASA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293927984 386670947 /nfs/dbraw/zinc/67/09/47/386670947.db2.gz HDIVWLXCDVBFIZ-NSHDSACASA-N 1 1 239.290 1.878 20 10 BDCDMO CC(=O)C(=O)Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000295687244 386703668 /nfs/dbraw/zinc/70/36/68/386703668.db2.gz CYHHUPMIIZHHTP-BDAKNGLRSA-N 1 1 234.299 1.412 20 10 BDCDMO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000234890948 387327959 /nfs/dbraw/zinc/32/79/59/387327959.db2.gz BTGOLSAUKLMKSA-WCBMZHEXSA-N 1 1 243.278 1.189 20 10 BDCDMO CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123990 132391598 /nfs/dbraw/zinc/39/15/98/132391598.db2.gz VEMBFXFBCDFTQD-UHFFFAOYSA-N 1 1 234.343 1.975 20 10 BDCDMO C[N@@H+](CCCO)Cc1c(O)cccc1Cl ZINC000281671973 398061741 /nfs/dbraw/zinc/06/17/41/398061741.db2.gz DJZWHZAMWIDPJO-UHFFFAOYSA-N 1 1 229.707 1.860 20 10 BDCDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179554753 172386655 /nfs/dbraw/zinc/38/66/55/172386655.db2.gz WGESFGIBZGPZGY-GFCCVEGCSA-N 1 1 248.326 1.445 20 10 BDCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179574328 173298428 /nfs/dbraw/zinc/29/84/28/173298428.db2.gz RNKOTJNGXFBYQS-GFCCVEGCSA-N 1 1 248.326 1.350 20 10 BDCDMO COc1ccc(C[NH2+]Cc2nncn2C)cc1C ZINC000037989086 175108577 /nfs/dbraw/zinc/10/85/77/175108577.db2.gz BWHWQTWXVLIFBU-UHFFFAOYSA-N 1 1 246.314 1.422 20 10 BDCDMO COc1ccc(O)c(C[N@H+](C)C[C@@H](C)OC)c1 ZINC000289649718 175157065 /nfs/dbraw/zinc/15/70/65/175157065.db2.gz MTLAAJYCEUUOGK-SNVBAGLBSA-N 1 1 239.315 1.868 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375286503 175158067 /nfs/dbraw/zinc/15/80/67/175158067.db2.gz JOMKAOAHLXWGQQ-ZDUSSCGKSA-N 1 1 249.310 1.358 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCCO1 ZINC000061912848 176304085 /nfs/dbraw/zinc/30/40/85/176304085.db2.gz BQWQYPRTWLEMNY-LLVKDONJSA-N 1 1 220.316 1.880 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000112011583 177163769 /nfs/dbraw/zinc/16/37/69/177163769.db2.gz WFGYCGFUFQWLMT-VIFPVBQESA-N 1 1 235.283 1.963 20 10 BDCDMO C[NH2+]C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1O ZINC000854231720 583083755 /nfs/dbraw/zinc/08/37/55/583083755.db2.gz KSAWDYFCXHIHRK-JGVFFNPUSA-N 1 1 244.285 1.929 20 10 BDCDMO COc1cc(C)cc(C[N@@H+](C)CCCO)c1O ZINC000894664815 583502205 /nfs/dbraw/zinc/50/22/05/583502205.db2.gz SPCODDWLBASFJD-UHFFFAOYSA-N 1 1 239.315 1.523 20 10 BDCDMO CC[C@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894870105 583539487 /nfs/dbraw/zinc/53/94/87/583539487.db2.gz JCRPUDSHTKUBJY-SNVBAGLBSA-N 1 1 245.269 1.873 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894870105 583539489 /nfs/dbraw/zinc/53/94/89/583539489.db2.gz JCRPUDSHTKUBJY-SNVBAGLBSA-N 1 1 245.269 1.873 20 10 BDCDMO CCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(O)c1 ZINC000895645428 583700387 /nfs/dbraw/zinc/70/03/87/583700387.db2.gz BZBLIGQYEDUEQO-BXUZGUMPSA-N 1 1 249.310 1.358 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(O)c1 ZINC000895780124 583728593 /nfs/dbraw/zinc/72/85/93/583728593.db2.gz BNUHBMHTIXSZJB-YUTCNCBUSA-N 1 1 247.338 1.903 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383886 583798365 /nfs/dbraw/zinc/79/83/65/583798365.db2.gz GDFMPMQGEJJFPT-LBPRGKRZSA-N 1 1 249.310 1.587 20 10 BDCDMO COC[C@H](C)C[NH2+]Cc1c(O)cccc1F ZINC000896637312 583819293 /nfs/dbraw/zinc/81/92/93/583819293.db2.gz LXSVOJPSOIONDS-SECBINFHSA-N 1 1 227.279 1.903 20 10 BDCDMO Oc1cccc(F)c1C[NH2+][C@H]1CCCOC1 ZINC000896637698 583819902 /nfs/dbraw/zinc/81/99/02/583819902.db2.gz QHUDWAYKMOQVHP-VIFPVBQESA-N 1 1 225.263 1.800 20 10 BDCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c(O)c1 ZINC000897675614 584035499 /nfs/dbraw/zinc/03/54/99/584035499.db2.gz AUWIAENZJMZSSZ-ZWNOBZJWSA-N 1 1 221.300 1.513 20 10 BDCDMO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccccc1O ZINC000841059062 584125819 /nfs/dbraw/zinc/12/58/19/584125819.db2.gz LHRFRMQUBYLLIB-ZYHUDNBSSA-N 1 1 220.316 1.480 20 10 BDCDMO C[N@@H+]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732276066 584935410 /nfs/dbraw/zinc/93/54/10/584935410.db2.gz FPIJCTPIYQOOOW-QMMMGPOBSA-N 1 1 240.328 1.278 20 10 BDCDMO C[N@H+]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732276066 584935411 /nfs/dbraw/zinc/93/54/11/584935411.db2.gz FPIJCTPIYQOOOW-QMMMGPOBSA-N 1 1 240.328 1.278 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](C)N ZINC000817978604 584993936 /nfs/dbraw/zinc/99/39/36/584993936.db2.gz CEHFCWGPQGTLNP-NGZCFLSTSA-N 1 1 220.316 1.705 20 10 BDCDMO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977879 584994289 /nfs/dbraw/zinc/99/42/89/584994289.db2.gz QZJXHFUCAAMQAY-MVVXRAEJSA-N 1 1 218.300 1.261 20 10 BDCDMO CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441263 585538545 /nfs/dbraw/zinc/53/85/45/585538545.db2.gz YAHCFTOKPNERCU-LBPRGKRZSA-N 1 1 237.299 1.660 20 10 BDCDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccccc1O ZINC000775987311 585688941 /nfs/dbraw/zinc/68/89/41/585688941.db2.gz VKSQXHBMKHJWEF-NWDGAFQWSA-N 1 1 234.343 1.917 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783733184 585841384 /nfs/dbraw/zinc/84/13/84/585841384.db2.gz KLBPXCHXPPUHGY-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c1 ZINC000783733184 585841385 /nfs/dbraw/zinc/84/13/85/585841385.db2.gz KLBPXCHXPPUHGY-NSHDSACASA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1C ZINC000788271149 585920685 /nfs/dbraw/zinc/92/06/85/585920685.db2.gz ZFINUBFKVCKIBR-DGCLKSJQSA-N 1 1 235.327 1.964 20 10 BDCDMO CCOc1ccc(O)c(C[N@@H+](C)CCCO)c1 ZINC000799739686 586195207 /nfs/dbraw/zinc/19/52/07/586195207.db2.gz OTNGNGFYJWYQPC-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)CCOCCO)c1 ZINC000800544825 586224848 /nfs/dbraw/zinc/22/48/48/586224848.db2.gz GFDUTLLGRJEXIC-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO OC[C@@]1(F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000802660975 586308703 /nfs/dbraw/zinc/30/87/03/586308703.db2.gz BLBKWHHVDABBEJ-GFCCVEGCSA-N 1 1 225.263 1.299 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)C1CC1 ZINC000809750928 586517147 /nfs/dbraw/zinc/51/71/47/586517147.db2.gz CAMILIZLYVBQHG-CYBMUJFWSA-N 1 1 221.300 1.595 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc1 ZINC000817274238 586792258 /nfs/dbraw/zinc/79/22/58/586792258.db2.gz GZLOPDZCJSRJJZ-OTVXOJSOSA-N 1 1 248.370 1.955 20 10 BDCDMO CC[C@H]([NH2+]CCNC)c1ccccc1O ZINC000817952231 586848344 /nfs/dbraw/zinc/84/83/44/586848344.db2.gz OOWYECGDXMHXCP-NSHDSACASA-N 1 1 208.305 1.652 20 10 BDCDMO CNCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817952648 586848672 /nfs/dbraw/zinc/84/86/72/586848672.db2.gz RZBKCELBNXOGHL-JTQLQIEISA-N 1 1 206.289 1.189 20 10 BDCDMO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CCN1C ZINC000817956272 586850187 /nfs/dbraw/zinc/85/01/87/586850187.db2.gz VNRNFJXPDVJFOF-DOMZBBRYSA-N 1 1 247.386 1.884 20 10 BDCDMO C[C@@H](NCC(F)(F)C[NH3+])c1ccccc1O ZINC000817966520 586855206 /nfs/dbraw/zinc/85/52/06/586855206.db2.gz PNRQVOGZQXZJIO-MRVPVSSYSA-N 1 1 230.258 1.637 20 10 BDCDMO COCC[NH2+]CCN[C@@H](C)c1ccccc1O ZINC000817965749 586855532 /nfs/dbraw/zinc/85/55/32/586855532.db2.gz ZQCVKABJQUCHKS-NSHDSACASA-N 1 1 238.331 1.279 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000817972704 586858840 /nfs/dbraw/zinc/85/88/40/586858840.db2.gz NVQDJRBLEZNTMH-NXEZZACHSA-N 1 1 208.305 1.698 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)NC[C@@H](C)[NH3+])c1 ZINC000817972704 586858841 /nfs/dbraw/zinc/85/88/41/586858841.db2.gz NVQDJRBLEZNTMH-NXEZZACHSA-N 1 1 208.305 1.698 20 10 BDCDMO COc1ccc(O)c([C@H](C)NC[C@H](C)[NH3+])c1 ZINC000817973264 586860538 /nfs/dbraw/zinc/86/05/38/586860538.db2.gz RXESBEBXFNSXGY-IUCAKERBSA-N 1 1 224.304 1.399 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(F)cc(F)c1O ZINC000818358048 586888911 /nfs/dbraw/zinc/88/89/11/586888911.db2.gz QCRNKLYOLHIIND-DIMCTHFVSA-N 1 1 243.253 1.844 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000824567401 587276726 /nfs/dbraw/zinc/27/67/26/587276726.db2.gz SJZRSAKIEJIOKM-JTQLQIEISA-N 1 1 241.718 1.921 20 10 BDCDMO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(F)c2O)C1 ZINC000825316979 587315084 /nfs/dbraw/zinc/31/50/84/587315084.db2.gz ZZBJOQCXDKYBHK-GXSJLCMTSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC000825316979 587315086 /nfs/dbraw/zinc/31/50/86/587315086.db2.gz ZZBJOQCXDKYBHK-GXSJLCMTSA-N 1 1 239.290 1.734 20 10 BDCDMO O=CN1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000827877053 587406830 /nfs/dbraw/zinc/40/68/30/587406830.db2.gz GXLCQEOWNXJSRJ-UHFFFAOYSA-N 1 1 234.299 1.056 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C ZINC000840942183 587931219 /nfs/dbraw/zinc/93/12/19/587931219.db2.gz VAXZGLCAMBWUCL-UHFFFAOYSA-N 1 1 249.358 1.368 20 10 BDCDMO COc1cccc(O)c1CNC1CC[NH2+]CC1 ZINC000841026658 587935218 /nfs/dbraw/zinc/93/52/18/587935218.db2.gz NXJTVRXCRSINEN-UHFFFAOYSA-N 1 1 236.315 1.242 20 10 BDCDMO CN(C)c1ccc(CN[C@H](C[NH3+])C2CC2)cc1 ZINC000841027485 587936444 /nfs/dbraw/zinc/93/64/44/587936444.db2.gz BYUAIVVLONPBQK-CQSZACIVSA-N 1 1 233.359 1.580 20 10 BDCDMO Oc1c(F)cc(Cl)cc1CN[C@H]1CC[NH2+]C1 ZINC000841045289 587939276 /nfs/dbraw/zinc/93/92/76/587939276.db2.gz RTGQZJGWHHTFKJ-VIFPVBQESA-N 1 1 244.697 1.636 20 10 BDCDMO C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841052049 587940273 /nfs/dbraw/zinc/94/02/73/587940273.db2.gz UFVLYIXZSNREDL-QMMMGPOBSA-N 1 1 228.723 1.873 20 10 BDCDMO COc1ccc(C[NH2+][C@H](C)CN)cc1C ZINC000841060392 587941139 /nfs/dbraw/zinc/94/11/39/587941139.db2.gz XXQRAPJQXZJGCP-SNVBAGLBSA-N 1 1 208.305 1.440 20 10 BDCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)CN)c1 ZINC000841062749 587941496 /nfs/dbraw/zinc/94/14/96/587941496.db2.gz CZHQUNZUBSRMPH-VIFPVBQESA-N 1 1 224.304 1.228 20 10 BDCDMO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841063618 587941634 /nfs/dbraw/zinc/94/16/34/587941634.db2.gz MBHSFNWRVSSZFW-BXUZGUMPSA-N 1 1 246.354 1.709 20 10 BDCDMO C[C@@H]1C[C@@H](NCc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062935 587941978 /nfs/dbraw/zinc/94/19/78/587941978.db2.gz ZMOZHXMWGBPUSZ-SKDRFNHKSA-N 1 1 238.306 1.761 20 10 BDCDMO C[C@H](CN)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841060208 587941993 /nfs/dbraw/zinc/94/19/93/587941993.db2.gz UJBGNCBHADCKJF-SECBINFHSA-N 1 1 225.311 1.329 20 10 BDCDMO C[C@H]1C[C@H](NCc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062933 587942111 /nfs/dbraw/zinc/94/21/11/587942111.db2.gz ZMOZHXMWGBPUSZ-JOYOIKCWSA-N 1 1 238.306 1.761 20 10 BDCDMO C[C@@H](CN)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841067477 587942843 /nfs/dbraw/zinc/94/28/43/587942843.db2.gz ZLKRYKFIDBVGJG-RXNFCKPNSA-N 1 1 233.359 1.703 20 10 BDCDMO [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843046926 588075941 /nfs/dbraw/zinc/07/59/41/588075941.db2.gz FMUKHBMASMQTNV-SNVBAGLBSA-N 1 1 238.306 1.702 20 10 BDCDMO [NH3+][C@@H]1CCCN(Cc2cccc(Cl)c2O)C1 ZINC000843043969 588075996 /nfs/dbraw/zinc/07/59/96/588075996.db2.gz RIZCZEWEHFCOKE-SNVBAGLBSA-N 1 1 240.734 1.969 20 10 BDCDMO C[C@@H]1CNC[C@H](C)[N@H+]1Cc1ccccc1O ZINC000843066107 588078479 /nfs/dbraw/zinc/07/84/79/588078479.db2.gz SLJGLBGWNXNQHK-PHIMTYICSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1CNC[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000843066107 588078481 /nfs/dbraw/zinc/07/84/81/588078481.db2.gz SLJGLBGWNXNQHK-PHIMTYICSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1CNC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127139 588085077 /nfs/dbraw/zinc/08/50/77/588085077.db2.gz ZRQPHGCBKYBMQS-FZMZJTMJSA-N 1 1 233.359 1.399 20 10 BDCDMO COc1ccc(N(C)CC[N@@H+](C)CCO)cc1 ZINC000844401736 588190301 /nfs/dbraw/zinc/19/03/01/588190301.db2.gz PDFCMKPQDPGEJS-UHFFFAOYSA-N 1 1 238.331 1.056 20 10 BDCDMO C[C@@H](CCO)[N@@H+](C)Cc1ccccc1O ZINC000846110945 588257398 /nfs/dbraw/zinc/25/73/98/588257398.db2.gz LNVLAFAKOHTMKA-JTQLQIEISA-N 1 1 209.289 1.595 20 10 BDCDMO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(F)cc1O ZINC000846209237 588260002 /nfs/dbraw/zinc/26/00/02/588260002.db2.gz PSFJOTYKKADFFM-PSASIEDQSA-N 1 1 245.269 1.902 20 10 BDCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000851841494 588634274 /nfs/dbraw/zinc/63/42/74/588634274.db2.gz UBISZYARWFDVJO-LBPRGKRZSA-N 1 1 248.326 1.445 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000876511311 590205505 /nfs/dbraw/zinc/20/55/05/590205505.db2.gz DRDIPKPRSFGEAH-GFCCVEGCSA-N 1 1 248.326 1.398 20 10 BDCDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876619903 590223276 /nfs/dbraw/zinc/22/32/76/590223276.db2.gz FNLHZRPXDJMPEF-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC000876659834 590227205 /nfs/dbraw/zinc/22/72/05/590227205.db2.gz HISFNTPZNJYKRH-LLVKDONJSA-N 1 1 221.300 1.515 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)c(O)c1 ZINC000876760259 590238625 /nfs/dbraw/zinc/23/86/25/590238625.db2.gz PIEPERCVXJKVHB-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1ccc(C[N@H+]2CCc3c[nH]nc3C2)c(O)c1 ZINC000876760259 590238627 /nfs/dbraw/zinc/23/86/27/590238627.db2.gz PIEPERCVXJKVHB-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1nc(CC[NH2+]Cc2ccc(C)cc2O)n[nH]1 ZINC000877180235 590298083 /nfs/dbraw/zinc/29/80/83/590298083.db2.gz SEUNHOFWKWNLJF-UHFFFAOYSA-N 1 1 246.314 1.459 20 10 BDCDMO Cc1nnc(CC[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877180235 590298085 /nfs/dbraw/zinc/29/80/85/590298085.db2.gz SEUNHOFWKWNLJF-UHFFFAOYSA-N 1 1 246.314 1.459 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c(O)c1 ZINC000877183262 590298325 /nfs/dbraw/zinc/29/83/25/590298325.db2.gz BECMAKMANVUXGM-RYUDHWBXSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000877433983 590327108 /nfs/dbraw/zinc/32/71/08/590327108.db2.gz LCLVUBDQFLSKHU-AAEUAGOBSA-N 1 1 235.327 1.903 20 10 BDCDMO CCOc1ccc(C[NH+]2CC(C)(O)C2)c(O)c1 ZINC000877581115 590365836 /nfs/dbraw/zinc/36/58/36/590365836.db2.gz OCLIVBREHUVDLW-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccccc1O ZINC000879649482 590842142 /nfs/dbraw/zinc/84/21/42/590842142.db2.gz UMHUCJBMZLQTHT-BDAKNGLRSA-N 1 1 247.302 1.328 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC000132479555 591712375 /nfs/dbraw/zinc/71/23/75/591712375.db2.gz HGUGINYYIJHURZ-LBPRGKRZSA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN[C@@H](C)C2)c1O ZINC000132481978 591713604 /nfs/dbraw/zinc/71/36/04/591713604.db2.gz QPMAAKRBXZQNEA-NSHDSACASA-N 1 1 220.316 1.494 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN[C@@H](C)C2)c1O ZINC000132481978 591713607 /nfs/dbraw/zinc/71/36/07/591713607.db2.gz QPMAAKRBXZQNEA-NSHDSACASA-N 1 1 220.316 1.494 20 10 BDCDMO C[C@@H]([NH2+]CCCO)c1c(O)cccc1F ZINC000886489883 592235900 /nfs/dbraw/zinc/23/59/00/592235900.db2.gz UEBCKCWMPMJWJC-MRVPVSSYSA-N 1 1 213.252 1.564 20 10 BDCDMO C[C@H]([NH2+]CCCCO)c1c(O)cccc1F ZINC000886601108 592272492 /nfs/dbraw/zinc/27/24/92/592272492.db2.gz JZEJGFWCZOWVEP-VIFPVBQESA-N 1 1 227.279 1.954 20 10 BDCDMO C[C@H](CN)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000162082978 632872819 /nfs/dbraw/zinc/87/28/19/632872819.db2.gz KIPUAWUECVAZQO-SNVBAGLBSA-N 1 1 207.321 1.189 20 10 BDCDMO [NH3+]C1CC(NCc2ccc3c(c2)CCCO3)C1 ZINC000906510872 638184097 /nfs/dbraw/zinc/18/40/97/638184097.db2.gz NFHBNQQPSCVWFW-UHFFFAOYSA-N 1 1 232.327 1.591 20 10 BDCDMO CN(C)c1ccc(CNC2CC([NH3+])C2)cc1 ZINC000087651244 640956761 /nfs/dbraw/zinc/95/67/61/640956761.db2.gz MFKLPHRIVZGSFK-UHFFFAOYSA-N 1 1 219.332 1.332 20 10 BDCDMO C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000040716230 641534391 /nfs/dbraw/zinc/53/43/91/641534391.db2.gz MSXADGIAQGGGJO-LBPRGKRZSA-N 1 1 248.330 1.485 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160304926 643440434 /nfs/dbraw/zinc/44/04/34/643440434.db2.gz ZXVDSCCMKHVKGG-CYBMUJFWSA-N 1 1 247.342 1.202 20 10 BDCDMO CCOc1cccc(CNCCC[NH2+]C)c1O ZINC000083366297 643442397 /nfs/dbraw/zinc/44/23/97/643442397.db2.gz RPGRFNPJNCPXDC-UHFFFAOYSA-N 1 1 238.331 1.490 20 10 BDCDMO CN(CCC[NH2+]C1CC1)Cc1ccccc1O ZINC000923307721 644338309 /nfs/dbraw/zinc/33/83/09/644338309.db2.gz ZRJLGOCYDDUGOC-UHFFFAOYSA-N 1 1 234.343 1.966 20 10 BDCDMO C[C@@H]1[NH2+]CCC[C@H]1NCCc1ccc(N)cc1 ZINC000925689555 646416775 /nfs/dbraw/zinc/41/67/75/646416775.db2.gz BXKNOEXKDGFNJK-SMDDNHRTSA-N 1 1 233.359 1.541 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C1(C[NH3+])CCC1 ZINC000385308347 711009734 /nfs/dbraw/zinc/00/97/34/711009734.db2.gz GCBYGPWHRBXLSV-UHFFFAOYSA-N 1 1 220.316 1.705 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)C1(C[NH3+])CCC1 ZINC000385308347 711009736 /nfs/dbraw/zinc/00/97/36/711009736.db2.gz GCBYGPWHRBXLSV-UHFFFAOYSA-N 1 1 220.316 1.705 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C1(CN)CCC1 ZINC000385308347 711009738 /nfs/dbraw/zinc/00/97/38/711009738.db2.gz GCBYGPWHRBXLSV-UHFFFAOYSA-N 1 1 220.316 1.705 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)C1(CN)CCC1 ZINC000385308347 711009741 /nfs/dbraw/zinc/00/97/41/711009741.db2.gz GCBYGPWHRBXLSV-UHFFFAOYSA-N 1 1 220.316 1.705 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384713172 710949404 /nfs/dbraw/zinc/94/94/04/710949404.db2.gz FBWHKYCYQRUSAH-UHFFFAOYSA-N 1 1 220.316 1.622 20 10 BDCDMO Cc1ccc(O)c(CN(C)C2CC([NH3+])C2)c1 ZINC000384713172 710949406 /nfs/dbraw/zinc/94/94/06/710949406.db2.gz FBWHKYCYQRUSAH-UHFFFAOYSA-N 1 1 220.316 1.622 20 10 BDCDMO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1O ZINC000389821220 711091109 /nfs/dbraw/zinc/09/11/09/711091109.db2.gz FARNCCKCLCVABM-SECBINFHSA-N 1 1 232.287 1.372 20 10 BDCDMO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(N(C)C)cc1 ZINC000398339439 711407900 /nfs/dbraw/zinc/40/79/00/711407900.db2.gz MHCPTCLRCJHTCD-SNVBAGLBSA-N 1 1 245.330 1.722 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC1 ZINC000708393829 712191829 /nfs/dbraw/zinc/19/18/29/712191829.db2.gz JTCQNNMTIWZBTK-SECBINFHSA-N 1 1 229.226 1.549 20 10 BDCDMO CC1(C[NH2+]Cc2cc(F)cc(F)c2O)COC1 ZINC000708444639 712195125 /nfs/dbraw/zinc/19/51/25/712195125.db2.gz STFSGHBDQCBIDA-UHFFFAOYSA-N 1 1 243.253 1.797 20 10 BDCDMO CCc1cccc(C[NH2+]Cc2cnn(C)n2)c1O ZINC000709428467 712221738 /nfs/dbraw/zinc/22/17/38/712221738.db2.gz CACQJXHJIANNFG-UHFFFAOYSA-N 1 1 246.314 1.373 20 10 BDCDMO C[C@H]1NCC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC000379445586 712385006 /nfs/dbraw/zinc/38/50/06/712385006.db2.gz WWYVHIASCSBOMC-GHMZBOCLSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@H]1NCC[N@@H+](Cc2ccccc2O)[C@@H]1C ZINC000379445586 712385008 /nfs/dbraw/zinc/38/50/08/712385008.db2.gz WWYVHIASCSBOMC-GHMZBOCLSA-N 1 1 220.316 1.574 20 10 BDCDMO CCN1CC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000712580312 712433762 /nfs/dbraw/zinc/43/37/62/712433762.db2.gz HIRVHSXPTNXABO-NSHDSACASA-N 1 1 238.306 1.715 20 10 BDCDMO C[C@H](CO)C[N@@H+](C)Cc1ccccc1O ZINC000121397225 712595502 /nfs/dbraw/zinc/59/55/02/712595502.db2.gz WJBFVMRUTRUOMD-JTQLQIEISA-N 1 1 209.289 1.452 20 10 BDCDMO C[C@H]1CC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010076 978410057 /nfs/dbraw/zinc/41/00/57/978410057.db2.gz KDOROBLYFDBSQO-ZETCQYMHSA-N 1 1 209.245 1.398 20 10 BDCDMO C[N@H+](Cc1c([O-])ccc(F)c1F)CC1COC1 ZINC001233335445 978569505 /nfs/dbraw/zinc/56/95/05/978569505.db2.gz VPBMGYZQPICYTP-UHFFFAOYSA-N 1 1 243.253 1.749 20 10 BDCDMO C[N@@H+](Cc1c(O)ccc(F)c1F)CC1COC1 ZINC001233335445 978569510 /nfs/dbraw/zinc/56/95/10/978569510.db2.gz VPBMGYZQPICYTP-UHFFFAOYSA-N 1 1 243.253 1.749 20 10 BDCDMO C[N@H+](Cc1c(O)ccc(F)c1F)CC1COC1 ZINC001233335445 978569514 /nfs/dbraw/zinc/56/95/14/978569514.db2.gz VPBMGYZQPICYTP-UHFFFAOYSA-N 1 1 243.253 1.749 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1C ZINC001237482103 979908667 /nfs/dbraw/zinc/90/86/67/979908667.db2.gz JMPBFNBAPBPXBP-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001141155879 960407776 /nfs/dbraw/zinc/40/77/76/960407776.db2.gz ACDDVJLDBJPINB-PWSUYJOCSA-N 1 1 249.310 1.566 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCC3(CN(C)C3)C2)c1 ZINC001140623688 960467795 /nfs/dbraw/zinc/46/77/95/960467795.db2.gz PVPZZXGATJAGSD-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1O ZINC001140748530 960552385 /nfs/dbraw/zinc/55/23/85/960552385.db2.gz HVQVAIGZFJMPAO-GXFFZTMASA-N 1 1 249.310 1.627 20 10 BDCDMO COc1cc(O)c(C[N@@H+](C)CCF)c(OC)c1 ZINC001141033071 960825172 /nfs/dbraw/zinc/82/51/72/960825172.db2.gz YNCZCWHHJZZJLM-UHFFFAOYSA-N 1 1 243.278 1.811 20 10 BDCDMO COc1cc(O)c(C[N@H+](C)CCF)c(OC)c1 ZINC001141033071 960825168 /nfs/dbraw/zinc/82/51/68/960825168.db2.gz YNCZCWHHJZZJLM-UHFFFAOYSA-N 1 1 243.278 1.811 20 10 BDCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(O)ccc1O ZINC001141156070 960890405 /nfs/dbraw/zinc/89/04/05/960890405.db2.gz DSEXBHVKHNTBJM-BXKDBHETSA-N 1 1 237.299 1.443 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1O ZINC001141156719 960892632 /nfs/dbraw/zinc/89/26/32/960892632.db2.gz RXADYTYLTYMQFB-JTQLQIEISA-N 1 1 223.272 1.055 20 10 BDCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141161417 960895217 /nfs/dbraw/zinc/89/52/17/960895217.db2.gz RLSGFRAKOJEIBU-GAJTVXKRSA-N 1 1 249.310 1.565 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001141158179 960896167 /nfs/dbraw/zinc/89/61/67/960896167.db2.gz VNHFRSNHZQQDBW-KPXOXKRLSA-N 1 1 237.274 1.888 20 10 BDCDMO C[N@@H+](Cc1cc(O)ccc1O)[C@@H]1CCCOC1 ZINC001141163160 960899315 /nfs/dbraw/zinc/89/93/15/960899315.db2.gz SJGSZPLNYAWUMR-LLVKDONJSA-N 1 1 237.299 1.709 20 10 BDCDMO Nc1ccc(CNc2cc(N)[nH+]cn2)cc1 ZINC001162786874 965168197 /nfs/dbraw/zinc/16/81/97/965168197.db2.gz AVWUMFSRCBTKGC-UHFFFAOYSA-N 1 1 215.260 1.253 20 10 BDCDMO Nc1ccc(CNc2cc(N)nc[nH+]2)cc1 ZINC001162786874 965168199 /nfs/dbraw/zinc/16/81/99/965168199.db2.gz AVWUMFSRCBTKGC-UHFFFAOYSA-N 1 1 215.260 1.253 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235153499 966009586 /nfs/dbraw/zinc/00/95/86/966009586.db2.gz ABUUAYFEVXTCNU-GXTWGEPZSA-N 1 1 232.327 1.624 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@@]3(N)C2)c1 ZINC001235153499 966009604 /nfs/dbraw/zinc/00/96/04/966009604.db2.gz ABUUAYFEVXTCNU-GXTWGEPZSA-N 1 1 232.327 1.624 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3C[C@@]3(N)C2)c1 ZINC001235153499 966009618 /nfs/dbraw/zinc/00/96/18/966009618.db2.gz ABUUAYFEVXTCNU-GXTWGEPZSA-N 1 1 232.327 1.624 20 10 BDCDMO CC(=O)N(C)C1C[NH+](Cc2ccccc2O)C1 ZINC001203555591 966686533 /nfs/dbraw/zinc/68/65/33/966686533.db2.gz AHMDAGACVGEYDV-UHFFFAOYSA-N 1 1 234.299 1.055 20 10 BDCDMO COc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001203622262 966708181 /nfs/dbraw/zinc/70/81/81/966708181.db2.gz VXFCPJUGOPJBAJ-TZMCWYRMSA-N 1 1 249.310 1.764 20 10 BDCDMO CCc1cccc(C[NH+]2CCOCC2)c1O ZINC000692107516 966763785 /nfs/dbraw/zinc/76/37/85/966763785.db2.gz UGINKNHFABPNPM-UHFFFAOYSA-N 1 1 221.300 1.787 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875733 966806156 /nfs/dbraw/zinc/80/61/56/966806156.db2.gz TWHZAOUQXYHMDI-KOLCDFICSA-N 1 1 237.299 1.443 20 10 BDCDMO Oc1ccc(C[NH+]2CC3(CSC3)C2)cc1O ZINC001203881118 966807900 /nfs/dbraw/zinc/80/79/00/966807900.db2.gz LXTCCXJRJYJGGJ-UHFFFAOYSA-N 1 1 237.324 1.647 20 10 BDCDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278671 966959067 /nfs/dbraw/zinc/95/90/67/966959067.db2.gz HSIVIAIYTKDBTD-ZDUSSCGKSA-N 1 1 237.299 1.445 20 10 BDCDMO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204279634 966959598 /nfs/dbraw/zinc/95/95/98/966959598.db2.gz DDXABWXPYSTRNA-FZMZJTMJSA-N 1 1 249.310 1.851 20 10 BDCDMO Oc1ccc(C[N@H+]2CCC3(COC3)C2)c(O)c1 ZINC001204276370 966960902 /nfs/dbraw/zinc/96/09/02/966960902.db2.gz LBDATXAOPRCHRM-UHFFFAOYSA-N 1 1 235.283 1.320 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCN1C ZINC001204278777 966961178 /nfs/dbraw/zinc/96/11/78/966961178.db2.gz JWLRUGZNKQJFAJ-SNVBAGLBSA-N 1 1 236.315 1.234 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(O)cc2O)CC[N@@H+]1C ZINC001204278777 966961181 /nfs/dbraw/zinc/96/11/81/966961181.db2.gz JWLRUGZNKQJFAJ-SNVBAGLBSA-N 1 1 236.315 1.234 20 10 BDCDMO C[C@@H]1CN(Cc2ccc(O)cc2O)CC[N@H+]1C ZINC001204278777 966961185 /nfs/dbraw/zinc/96/11/85/966961185.db2.gz JWLRUGZNKQJFAJ-SNVBAGLBSA-N 1 1 236.315 1.234 20 10 BDCDMO COc1cc(C[NH+]2CCC2)cc(O)c1O ZINC001204340086 966977758 /nfs/dbraw/zinc/97/77/58/966977758.db2.gz BKJIVUMKTWSGCB-UHFFFAOYSA-N 1 1 209.245 1.312 20 10 BDCDMO C[N@@H+]1CC=C(Nc2cccc(O)c2O)CC1 ZINC001208844756 969257569 /nfs/dbraw/zinc/25/75/69/969257569.db2.gz VGWSPVSETWXQJO-UHFFFAOYSA-N 1 1 220.272 1.729 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC001327723198 972713613 /nfs/dbraw/zinc/71/36/13/972713613.db2.gz YGMNNWQFWHMNCP-ZDUSSCGKSA-N 1 1 247.338 1.911 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](F)C2)c(O)c1 ZINC001144504077 972851960 /nfs/dbraw/zinc/85/19/60/972851960.db2.gz KXLJQDCXIPYFOE-ZETCQYMHSA-N 1 1 227.235 1.347 20 10 BDCDMO N[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1F ZINC001206154032 974317939 /nfs/dbraw/zinc/31/79/39/974317939.db2.gz GLRFEOSAXRILHI-NEPJUHHUSA-N 1 1 238.306 1.653 20 10 BDCDMO N[C@H]1CC[N@@H+](Cc2ccccc2O)CC[C@H]1F ZINC001206154032 974317945 /nfs/dbraw/zinc/31/79/45/974317945.db2.gz GLRFEOSAXRILHI-NEPJUHHUSA-N 1 1 238.306 1.653 20 10 BDCDMO CCN1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001173370488 975355625 /nfs/dbraw/zinc/35/56/25/975355625.db2.gz IFSCUSPVXYHFPX-ZDUSSCGKSA-N 1 1 246.354 1.845 20 10 BDCDMO CC[N@@H+]1CC[C@H](N2CCc3cccc(O)c3C2)C1 ZINC001173370488 975355630 /nfs/dbraw/zinc/35/56/30/975355630.db2.gz IFSCUSPVXYHFPX-ZDUSSCGKSA-N 1 1 246.354 1.845 20 10 BDCDMO CC[N@H+]1CC[C@H](N2CCc3cccc(O)c3C2)C1 ZINC001173370488 975355637 /nfs/dbraw/zinc/35/56/37/975355637.db2.gz IFSCUSPVXYHFPX-ZDUSSCGKSA-N 1 1 246.354 1.845 20 10 BDCDMO Nc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001336287254 977619473 /nfs/dbraw/zinc/61/94/73/977619473.db2.gz ZLXCWXROESTOCC-NSHDSACASA-N 1 1 205.305 1.049 20 10 BDCDMO C[C@H]1CC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010076 978410050 /nfs/dbraw/zinc/41/00/50/978410050.db2.gz KDOROBLYFDBSQO-ZETCQYMHSA-N 1 1 209.245 1.398 20 10 BDCDMO Oc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc(O)c1O ZINC001233015801 978414399 /nfs/dbraw/zinc/41/43/99/978414399.db2.gz BIDQPLLRNGWREG-WCBMZHEXSA-N 1 1 235.283 1.788 20 10 BDCDMO Nc1ccc(CNCCC[NH2+]C2CC2)cc1 ZINC001337839015 978523733 /nfs/dbraw/zinc/52/37/33/978523733.db2.gz ZWTNZTXGIWJOCL-UHFFFAOYSA-N 1 1 219.332 1.501 20 10 BDCDMO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)C2)cc1O ZINC001233483257 978613573 /nfs/dbraw/zinc/61/35/73/978613573.db2.gz SIVWYNDXAABCQE-QMMMGPOBSA-N 1 1 227.235 1.347 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](F)C2)cc1O ZINC001233483257 978613576 /nfs/dbraw/zinc/61/35/76/978613576.db2.gz SIVWYNDXAABCQE-QMMMGPOBSA-N 1 1 227.235 1.347 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338445667 978683498 /nfs/dbraw/zinc/68/34/98/978683498.db2.gz GXHNAIOUXJWSDF-CYBMUJFWSA-N 1 1 249.310 1.358 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001204280451 978942839 /nfs/dbraw/zinc/94/28/39/978942839.db2.gz KFINQBIUAPUWIO-FZMZJTMJSA-N 1 1 249.310 1.709 20 10 BDCDMO Cc1cccc(O)c1CN1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991062 979276091 /nfs/dbraw/zinc/27/60/91/979276091.db2.gz NYJHRYPOFMSKBR-BXUZGUMPSA-N 1 1 232.327 1.624 20 10 BDCDMO [NH3+][C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001236174519 979437303 /nfs/dbraw/zinc/43/73/03/979437303.db2.gz UTRVPHXDDSPNQQ-QMMMGPOBSA-N 1 1 228.242 1.203 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2CN)c1O ZINC001236245477 979467696 /nfs/dbraw/zinc/46/76/96/979467696.db2.gz PNLNAHCOCABORJ-GFCCVEGCSA-N 1 1 234.343 1.932 20 10 BDCDMO Oc1c(CN2C[C@H]3C[NH2+]C[C@H]32)ccc(F)c1F ZINC001236293139 979502921 /nfs/dbraw/zinc/50/29/21/979502921.db2.gz NWWPTXSPXFAEKX-PSASIEDQSA-N 1 1 240.253 1.074 20 10 BDCDMO CCc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC001236784332 979730553 /nfs/dbraw/zinc/73/05/53/979730553.db2.gz UVOSBJGJPCWUNU-SNVBAGLBSA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC001236784332 979730563 /nfs/dbraw/zinc/73/05/63/979730563.db2.gz UVOSBJGJPCWUNU-SNVBAGLBSA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1ccc(C[NH+]2CCN(C#N)CC2)c(O)c1 ZINC001236793155 979741842 /nfs/dbraw/zinc/74/18/42/979741842.db2.gz IKAQWESDOFQFGM-UHFFFAOYSA-N 1 1 245.326 1.553 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001237491634 979914443 /nfs/dbraw/zinc/91/44/43/979914443.db2.gz KVMYRVXMHWBXTO-RYUDHWBXSA-N 1 1 232.327 1.589 20 10 BDCDMO Cc1cccc(O)c1C[NH+]1CC(C)(N(C)C)C1 ZINC001237487677 979917292 /nfs/dbraw/zinc/91/72/92/979917292.db2.gz KJSZXVZGIFCJRY-UHFFFAOYSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001237492556 979919678 /nfs/dbraw/zinc/91/96/78/979919678.db2.gz SGXOIJGRMMCXBH-WCQYABFASA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001237492556 979919687 /nfs/dbraw/zinc/91/96/87/979919687.db2.gz SGXOIJGRMMCXBH-WCQYABFASA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001238055733 980133258 /nfs/dbraw/zinc/13/32/58/980133258.db2.gz CPMYPYQMHXFDSJ-SKDRFNHKSA-N 1 1 239.290 1.795 20 10 BDCDMO Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001352788903 982580904 /nfs/dbraw/zinc/58/09/04/982580904.db2.gz RIWCAXSPZZOHAK-NNQSOWQGSA-N 1 1 246.354 1.862 20 10 BDCDMO CCC1([NH3+])CCN(Cc2ccc(N)cc2)CC1 ZINC001356083683 983571919 /nfs/dbraw/zinc/57/19/19/983571919.db2.gz XTVPBTYVQCXMSA-UHFFFAOYSA-N 1 1 233.359 1.972 20 10 BDCDMO C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC001356082908 983572274 /nfs/dbraw/zinc/57/22/74/983572274.db2.gz HMAWKOXSCSYRIL-BXUZGUMPSA-N 1 1 233.359 1.971 20 10 BDCDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1C ZINC000719395503 984651101 /nfs/dbraw/zinc/65/11/01/984651101.db2.gz KHRXGWGWYQJBFU-MFKMUULPSA-N 1 1 247.342 1.020 20 10 BDCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)c(O)c1 ZINC001275821244 984674349 /nfs/dbraw/zinc/67/43/49/984674349.db2.gz LJSGUJZNZYCRTD-RYUDHWBXSA-N 1 1 248.326 1.376 20 10 BDCDMO Cc1ccc(CN2CC3(CC[N@H+]3C)C2)c(O)c1 ZINC001276169829 984824233 /nfs/dbraw/zinc/82/42/33/984824233.db2.gz XIXSDZWILFHDAI-UHFFFAOYSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(CN2CC3(CC[N@@H+]3C)C2)c(O)c1 ZINC001276169829 984824234 /nfs/dbraw/zinc/82/42/34/984824234.db2.gz XIXSDZWILFHDAI-UHFFFAOYSA-N 1 1 232.327 1.591 20 10 BDCDMO C[C@H](NCc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC000686220788 985090532 /nfs/dbraw/zinc/09/05/32/985090532.db2.gz YWABALFTSQBXIR-NSHDSACASA-N 1 1 233.359 1.450 20 10 BDCDMO CCc1cccc(C[N@@H+](C)CCC(N)=O)c1O ZINC000692108789 985412425 /nfs/dbraw/zinc/41/24/25/985412425.db2.gz JBIFUCGRVXRJDX-UHFFFAOYSA-N 1 1 236.315 1.262 20 10 BDCDMO C[C@H]1CC[C@H](NCCc2ccc(N)cc2)C[NH2+]1 ZINC001246466934 987826928 /nfs/dbraw/zinc/82/69/28/987826928.db2.gz QVDMIOZEXSRKDE-FZMZJTMJSA-N 1 1 233.359 1.541 20 10 BDCDMO CN1CCN(c2ccc(C[NH+]3CCC3)cc2)CC1 ZINC001139404748 991234055 /nfs/dbraw/zinc/23/40/55/991234055.db2.gz YQZWXTQRGRQFGL-UHFFFAOYSA-N 1 1 245.370 1.644 20 10 BDCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCO)c1 ZINC001560714475 991569841 /nfs/dbraw/zinc/56/98/41/991569841.db2.gz MMULUBDGNWIZLY-UHFFFAOYSA-N 1 1 223.316 1.940 20 10 BDCDMO C[NH2+]C[C@H](C)CNCc1ccc(N(C)C)cc1 ZINC001261370684 992277452 /nfs/dbraw/zinc/27/74/52/992277452.db2.gz QTDIDKLQTFDMLL-LBPRGKRZSA-N 1 1 235.375 1.698 20 10 BDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001262486810 992891649 /nfs/dbraw/zinc/89/16/49/992891649.db2.gz BCJBKOGTGVQEIS-NSHDSACASA-N 1 1 234.299 1.264 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC001262488360 992893876 /nfs/dbraw/zinc/89/38/76/992893876.db2.gz ZJLGSNSATPWHLQ-UHFFFAOYSA-N 1 1 240.310 1.617 20 10 BDCDMO Nc1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC001262488360 992893878 /nfs/dbraw/zinc/89/38/78/992893878.db2.gz ZJLGSNSATPWHLQ-UHFFFAOYSA-N 1 1 240.310 1.617 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@H]1CO ZINC000700439447 993835469 /nfs/dbraw/zinc/83/54/69/993835469.db2.gz SRCMMJHNKODLHX-AAEUAGOBSA-N 1 1 234.343 1.719 20 10 BDCDMO Cc1cc(C[N@H+]2CC[C@@H](CO)C2)ccc1N(C)C ZINC000292711681 178000357 /nfs/dbraw/zinc/00/03/57/178000357.db2.gz BFOPJAYGVQXBON-CQSZACIVSA-N 1 1 248.370 1.875 20 10 BDCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C2)c1O ZINC000132493569 178064333 /nfs/dbraw/zinc/06/43/33/178064333.db2.gz CGYZXEGAVYPIOU-NSHDSACASA-N 1 1 241.718 1.921 20 10 BDCDMO Cc1cccc(C[NH+]2CC(n3ccnn3)C2)c1O ZINC000359990945 179074977 /nfs/dbraw/zinc/07/49/77/179074977.db2.gz CTQBCSIIHHGAEX-UHFFFAOYSA-N 1 1 244.298 1.349 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000183449106 179081968 /nfs/dbraw/zinc/08/19/68/179081968.db2.gz RFOKZHIYMFVEDY-NSHDSACASA-N 1 1 234.299 1.008 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366559590 183301387 /nfs/dbraw/zinc/30/13/87/183301387.db2.gz NUPSZDVLXJSIMU-CMPLNLGQSA-N 1 1 205.257 1.365 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366559590 183301389 /nfs/dbraw/zinc/30/13/89/183301389.db2.gz NUPSZDVLXJSIMU-CMPLNLGQSA-N 1 1 205.257 1.365 20 10 BDCDMO c1cc(CNCC[NH+]2CCCC2)cc2c1OCC2 ZINC000037362795 183368549 /nfs/dbraw/zinc/36/85/49/183368549.db2.gz NEJHEBRDCQBRRF-UHFFFAOYSA-N 1 1 246.354 1.807 20 10 BDCDMO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000071269116 384159795 /nfs/dbraw/zinc/15/97/95/384159795.db2.gz YHVRXFCUVHGRRE-WCBMZHEXSA-N 1 1 243.278 1.189 20 10 BDCDMO COC[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132677504 384243580 /nfs/dbraw/zinc/24/35/80/384243580.db2.gz JYUNMHOYPDMNQM-JTQLQIEISA-N 1 1 239.315 1.868 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000084933962 384905343 /nfs/dbraw/zinc/90/53/43/384905343.db2.gz AUOMXQXYXSTDNS-CYBMUJFWSA-N 1 1 220.316 1.319 20 10 BDCDMO C[C@@H](C[S@](C)=O)[NH2+]Cc1cccc(F)c1O ZINC000164406052 384980930 /nfs/dbraw/zinc/98/09/30/384980930.db2.gz GTTGYFZPKKAVOG-ZKANADHPSA-N 1 1 245.319 1.388 20 10 BDCDMO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccccc1O ZINC000190030781 385206960 /nfs/dbraw/zinc/20/69/60/385206960.db2.gz WAKRXYMSUALBPC-AWEZNQCLSA-N 1 1 247.294 1.674 20 10 BDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179555432 385473746 /nfs/dbraw/zinc/47/37/46/385473746.db2.gz WEYDOZLTJBTVCL-NSHDSACASA-N 1 1 235.283 1.530 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157194548 385490904 /nfs/dbraw/zinc/49/09/04/385490904.db2.gz OZYYKNWJWLXBGL-JTQLQIEISA-N 1 1 234.299 1.008 20 10 BDCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1O ZINC000185225776 385724586 /nfs/dbraw/zinc/72/45/86/385724586.db2.gz ZTYJFTVAIDKKCO-MGPLVRAMSA-N 1 1 241.356 1.591 20 10 BDCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000271353992 385821645 /nfs/dbraw/zinc/82/16/45/385821645.db2.gz QACQIIMMPJLHIZ-ZFWWWQNUSA-N 1 1 248.370 1.955 20 10 BDCDMO CC(=O)N1CC[N@@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000271468149 385831113 /nfs/dbraw/zinc/83/11/13/385831113.db2.gz YEUJYPYSUCPZEP-LLVKDONJSA-N 1 1 248.326 1.445 20 10 BDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC2)c1 ZINC000273365833 385992892 /nfs/dbraw/zinc/99/28/92/385992892.db2.gz DZNZFLMTTDQPBA-MRVPVSSYSA-N 1 1 235.283 1.992 20 10 BDCDMO CO[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000234901222 386114223 /nfs/dbraw/zinc/11/42/23/386114223.db2.gz LGLYVVPMWSYTRL-JTQLQIEISA-N 1 1 225.263 1.752 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000234901222 386114230 /nfs/dbraw/zinc/11/42/30/386114230.db2.gz LGLYVVPMWSYTRL-JTQLQIEISA-N 1 1 225.263 1.752 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000234900549 386114986 /nfs/dbraw/zinc/11/49/86/386114986.db2.gz ZEZXCMFAXGJTIF-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](N(C)C)C2)cc1 ZINC000289487197 386314268 /nfs/dbraw/zinc/31/42/68/386314268.db2.gz RGTBMTNIJAWTHW-HNNXBMFYSA-N 1 1 247.386 1.889 20 10 BDCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)cc1 ZINC000289487197 386314273 /nfs/dbraw/zinc/31/42/73/386314273.db2.gz RGTBMTNIJAWTHW-HNNXBMFYSA-N 1 1 247.386 1.889 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280554040 386821932 /nfs/dbraw/zinc/82/19/32/386821932.db2.gz UIJVOCZEQYAMMZ-ZDUSSCGKSA-N 1 1 235.327 1.903 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1cc(C)ccc1O ZINC000293535662 386832106 /nfs/dbraw/zinc/83/21/06/386832106.db2.gz CGONFASYGWKUNL-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1cccc(C)c1O ZINC000293572066 386840055 /nfs/dbraw/zinc/84/00/55/386840055.db2.gz HAXPNOFIKPWYEE-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1cccc(C)c1O ZINC000293572063 386840549 /nfs/dbraw/zinc/84/05/49/386840549.db2.gz HAXPNOFIKPWYEE-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1cc(OC)ccc1O ZINC000293585905 386842361 /nfs/dbraw/zinc/84/23/61/386842361.db2.gz ICNWFWMVDVYCEI-LLVKDONJSA-N 1 1 237.299 1.622 20 10 BDCDMO CN1CC[N@@H+](Cc2ccccc2O)C(C)(C)C1=O ZINC000179579658 173089506 /nfs/dbraw/zinc/08/95/06/173089506.db2.gz KVLXUHVASGVFIH-UHFFFAOYSA-N 1 1 248.326 1.445 20 10 BDCDMO COCCC[N@H+](C)Cc1cccc(F)c1O ZINC000165417466 174219525 /nfs/dbraw/zinc/21/95/25/174219525.db2.gz VKZYXELBEFXTKA-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO COCCC[N@@H+](C)Cc1cccc(F)c1O ZINC000165417466 174219529 /nfs/dbraw/zinc/21/95/29/174219529.db2.gz VKZYXELBEFXTKA-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCCO1 ZINC000061912850 177263723 /nfs/dbraw/zinc/26/37/23/177263723.db2.gz BQWQYPRTWLEMNY-NSHDSACASA-N 1 1 220.316 1.880 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1COC1 ZINC000529674885 324376263 /nfs/dbraw/zinc/37/62/63/324376263.db2.gz MMNYFVPKXAQAFI-UHFFFAOYSA-N 1 1 245.681 1.921 20 10 BDCDMO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccccc1O)C2 ZINC000857226542 588896150 /nfs/dbraw/zinc/89/61/50/588896150.db2.gz QUCPGBJOYHLZPH-OCCSQVGLSA-N 1 1 232.327 1.705 20 10 BDCDMO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000726980535 583582467 /nfs/dbraw/zinc/58/24/67/583582467.db2.gz AMIWYGCPSOVWPJ-UHFFFAOYSA-N 1 1 249.358 1.321 20 10 BDCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000726980535 583582469 /nfs/dbraw/zinc/58/24/69/583582469.db2.gz AMIWYGCPSOVWPJ-UHFFFAOYSA-N 1 1 249.358 1.321 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895651664 583703128 /nfs/dbraw/zinc/70/31/28/583703128.db2.gz BBEFTJDXFMEUQM-AAEUAGOBSA-N 1 1 219.284 1.267 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1O ZINC000897675628 584035243 /nfs/dbraw/zinc/03/52/43/584035243.db2.gz AXLIZIICRFTAPO-RDDDGLTNSA-N 1 1 243.253 1.483 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1O ZINC000897675628 584035244 /nfs/dbraw/zinc/03/52/44/584035244.db2.gz AXLIZIICRFTAPO-RDDDGLTNSA-N 1 1 243.253 1.483 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000897681305 584038942 /nfs/dbraw/zinc/03/89/42/584038942.db2.gz QTPLAMHWUUHTPT-PELKAZGASA-N 1 1 225.263 1.344 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898188125 584094231 /nfs/dbraw/zinc/09/42/31/584094231.db2.gz KGDUNVCQJLOXQC-DGCLKSJQSA-N 1 1 239.290 1.605 20 10 BDCDMO CCOc1ccc(CN[C@@H](C)[C@@H](C)[NH3+])c(O)c1 ZINC000841078648 584813835 /nfs/dbraw/zinc/81/38/35/584813835.db2.gz GNVWEEQIQCRZJC-ZJUUUORDSA-N 1 1 238.331 1.616 20 10 BDCDMO CC[C@H](N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817980653 584994812 /nfs/dbraw/zinc/99/48/12/584994812.db2.gz WFAXKQLJADDYJS-WDEREUQCSA-N 1 1 220.316 1.706 20 10 BDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000775650108 585682583 /nfs/dbraw/zinc/68/25/83/585682583.db2.gz QMLKHIDDJJWNIM-GFCCVEGCSA-N 1 1 249.310 1.696 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000775743468 585683930 /nfs/dbraw/zinc/68/39/30/585683930.db2.gz HJNQWLAAMDLIKG-NSHDSACASA-N 1 1 234.299 1.021 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C2CC2)cc1 ZINC000785700062 585878605 /nfs/dbraw/zinc/87/86/05/585878605.db2.gz VFVJSTAZIHGODJ-HNNXBMFYSA-N 1 1 248.370 1.955 20 10 BDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)[C@@H]1C ZINC000787420566 585909389 /nfs/dbraw/zinc/90/93/89/585909389.db2.gz IYECOHSCTKIPNA-PWSUYJOCSA-N 1 1 249.310 1.776 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](C)CCCO)cc1 ZINC000815106856 586666952 /nfs/dbraw/zinc/66/69/52/586666952.db2.gz BQMPJVSWOFAERU-UHFFFAOYSA-N 1 1 236.359 1.957 20 10 BDCDMO Oc1ccccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865143 586830714 /nfs/dbraw/zinc/83/07/14/586830714.db2.gz ISIRRCSIEBGYGO-UHFFFAOYSA-N 1 1 232.327 1.720 20 10 BDCDMO C[C@@H]1C[C@@H]([NH2+]CCN)c2c1c(F)ccc2O ZINC000817935456 586843534 /nfs/dbraw/zinc/84/35/34/586843534.db2.gz WERXVXVPVNSXCG-VXNVDRBHSA-N 1 1 224.279 1.628 20 10 BDCDMO C[C@H](NC1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817937527 586844179 /nfs/dbraw/zinc/84/41/79/586844179.db2.gz XHVOKUADSBDDCM-VIFPVBQESA-N 1 1 238.306 1.934 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CCCNC1)c1cc(F)ccc1O ZINC000817940476 586845092 /nfs/dbraw/zinc/84/50/92/586845092.db2.gz ICLBGZVTQSBFHF-GXSJLCMTSA-N 1 1 238.306 1.934 20 10 BDCDMO CNCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817952435 586847939 /nfs/dbraw/zinc/84/79/39/586847939.db2.gz PSKYLHVBYOGTSZ-SNVBAGLBSA-N 1 1 208.305 1.571 20 10 BDCDMO CNCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817951219 586848084 /nfs/dbraw/zinc/84/80/84/586848084.db2.gz BRYAWAJVQSXNMS-SNVBAGLBSA-N 1 1 208.305 1.571 20 10 BDCDMO CC(C)[C@@H](N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817959136 586851109 /nfs/dbraw/zinc/85/11/09/586851109.db2.gz PODWISYSHDBUES-RYUDHWBXSA-N 1 1 234.343 1.952 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@H](C)C[NH3+])c1 ZINC000817966264 586855189 /nfs/dbraw/zinc/85/51/89/586855189.db2.gz JXHWLARLVXZPLP-BDAKNGLRSA-N 1 1 224.304 1.399 20 10 BDCDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N)c1 ZINC000817972705 586858667 /nfs/dbraw/zinc/85/86/67/586858667.db2.gz NVQDJRBLEZNTMH-UWVGGRQHSA-N 1 1 208.305 1.698 20 10 BDCDMO Cc1ccc(O)c([C@H](C)NC[C@H](C)[NH3+])c1 ZINC000817972705 586858668 /nfs/dbraw/zinc/85/86/68/586858668.db2.gz NVQDJRBLEZNTMH-UWVGGRQHSA-N 1 1 208.305 1.698 20 10 BDCDMO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(N(C)C)cc1 ZINC000817972186 586859030 /nfs/dbraw/zinc/85/90/30/586859030.db2.gz UWPPINVTCIYUCL-WDEREUQCSA-N 1 1 221.348 1.750 20 10 BDCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N)c(O)c1 ZINC000817972748 586859279 /nfs/dbraw/zinc/85/92/79/586859279.db2.gz OHQSCDVPTLQXCD-VHSXEESVSA-N 1 1 208.305 1.698 20 10 BDCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)c(O)c1 ZINC000817972745 586859824 /nfs/dbraw/zinc/85/98/24/586859824.db2.gz OHQSCDVPTLQXCD-NXEZZACHSA-N 1 1 208.305 1.698 20 10 BDCDMO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000817978195 586861988 /nfs/dbraw/zinc/86/19/88/586861988.db2.gz YGOVDJQJUIHOOZ-BBBLOLIVSA-N 1 1 208.305 1.779 20 10 BDCDMO Cc1cccc(C[N@H+]2CCCN(C=O)CC2)c1O ZINC000827871447 587406425 /nfs/dbraw/zinc/40/64/25/587406425.db2.gz APNUSBHOQNFECP-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO COc1cccc(C[N@@H+](C)C2(CO)CC2)c1O ZINC000827904242 587409586 /nfs/dbraw/zinc/40/95/86/587409586.db2.gz XRGQWTDCIXLDIV-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000840910826 587929581 /nfs/dbraw/zinc/92/95/81/587929581.db2.gz SMTNTADMLYARKL-AWEZNQCLSA-N 1 1 234.343 1.628 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCCN2)c1 ZINC000841033042 587937245 /nfs/dbraw/zinc/93/72/45/587937245.db2.gz NDPFSQFFWMIRSC-ZDUSSCGKSA-N 1 1 234.343 1.932 20 10 BDCDMO Cc1cc(O)c(C[NH2+]C[C@@H](N)C2CC2)cc1C ZINC000841049578 587939831 /nfs/dbraw/zinc/93/98/31/587939831.db2.gz LRIZUUYOYLKBDS-CYBMUJFWSA-N 1 1 234.343 1.836 20 10 BDCDMO Cc1cc(O)c(CNC[C@@H]([NH3+])C2CC2)cc1C ZINC000841049578 587939833 /nfs/dbraw/zinc/93/98/33/587939833.db2.gz LRIZUUYOYLKBDS-CYBMUJFWSA-N 1 1 234.343 1.836 20 10 BDCDMO C[C@H](CN)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841061495 587941559 /nfs/dbraw/zinc/94/15/59/587941559.db2.gz ZLKRYKFIDBVGJG-ZYOFXKKJSA-N 1 1 233.359 1.703 20 10 BDCDMO [NH3+]CC(F)(F)CNCc1ccccc1O ZINC000841060118 587942125 /nfs/dbraw/zinc/94/21/25/587942125.db2.gz ORMALGHOWRANPS-UHFFFAOYSA-N 1 1 216.231 1.076 20 10 BDCDMO CCOc1ccc(CNC[C@@H]([NH3+])CC)c(O)c1 ZINC000841070584 587943028 /nfs/dbraw/zinc/94/30/28/587943028.db2.gz REIMDTZNUAEDFC-NSHDSACASA-N 1 1 238.331 1.618 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000841077026 587944232 /nfs/dbraw/zinc/94/42/32/587944232.db2.gz WYKWVLSLLHCHFD-UWVGGRQHSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1ccc(O)c(CN[C@@H](C)[C@H](C)[NH3+])c1 ZINC000841077026 587944234 /nfs/dbraw/zinc/94/42/34/587944234.db2.gz WYKWVLSLLHCHFD-UWVGGRQHSA-N 1 1 208.305 1.526 20 10 BDCDMO Cc1cc(N(C)C)ccc1CN1CCC([NH3+])CC1 ZINC000843047704 588076493 /nfs/dbraw/zinc/07/64/93/588076493.db2.gz WVQKRLCVWUQRLM-UHFFFAOYSA-N 1 1 247.386 1.984 20 10 BDCDMO COc1cccc(O)c1CN(C)CCC[NH3+] ZINC000843050176 588076796 /nfs/dbraw/zinc/07/67/96/588076796.db2.gz AHGIPRAKGINHEQ-UHFFFAOYSA-N 1 1 224.304 1.181 20 10 BDCDMO CCc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000848913144 588420003 /nfs/dbraw/zinc/42/00/03/588420003.db2.gz PCMUJVNDITVAIN-OLZOCXBDSA-N 1 1 233.311 1.928 20 10 BDCDMO CCc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000848913144 588420004 /nfs/dbraw/zinc/42/00/04/588420004.db2.gz PCMUJVNDITVAIN-OLZOCXBDSA-N 1 1 233.311 1.928 20 10 BDCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)c2ncnn21 ZINC000850351401 588538239 /nfs/dbraw/zinc/53/82/39/588538239.db2.gz BBDIJANFLKHPJE-KOLCDFICSA-N 1 1 244.298 1.779 20 10 BDCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnon2)c1 ZINC000851902826 588642156 /nfs/dbraw/zinc/64/21/56/588642156.db2.gz SYZDKRXSIBSECR-MRVPVSSYSA-N 1 1 249.270 1.635 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)CC1(C)COC1 ZINC000862477762 589216417 /nfs/dbraw/zinc/21/64/17/589216417.db2.gz QLIHVLQELKTJHU-UHFFFAOYSA-N 1 1 239.290 2.000 20 10 BDCDMO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)NC2)c1O ZINC000863483823 589293247 /nfs/dbraw/zinc/29/32/47/589293247.db2.gz DULUZDOYRXOHSY-YPMHNXCESA-N 1 1 234.343 1.931 20 10 BDCDMO C[NH2+]CCCN(C)Cc1ccc(N(C)C)cc1 ZINC000124738886 590080385 /nfs/dbraw/zinc/08/03/85/590080385.db2.gz YZKREQRQNJVQKB-UHFFFAOYSA-N 1 1 235.375 1.794 20 10 BDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876594464 590219890 /nfs/dbraw/zinc/21/98/90/590219890.db2.gz NRCUUXZIMYAUBB-LLVKDONJSA-N 1 1 249.310 1.696 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC000876685044 590230399 /nfs/dbraw/zinc/23/03/99/590230399.db2.gz WQBSAANLKAWQBT-UHFFFAOYSA-N 1 1 249.310 1.649 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000876760923 590239055 /nfs/dbraw/zinc/23/90/55/590239055.db2.gz SLWHVUPIFVZFJT-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCc2c[nH]nc2C1 ZINC000876760923 590239057 /nfs/dbraw/zinc/23/90/57/590239057.db2.gz SLWHVUPIFVZFJT-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000876760923 590239059 /nfs/dbraw/zinc/23/90/59/590239059.db2.gz SLWHVUPIFVZFJT-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCc2cn[nH]c2C1 ZINC000876760923 590239061 /nfs/dbraw/zinc/23/90/61/590239061.db2.gz SLWHVUPIFVZFJT-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO CC[N@@H+](CCCO)Cc1c(C)cccc1O ZINC000876766992 590239889 /nfs/dbraw/zinc/23/98/89/590239889.db2.gz XYNHIZCIAVJDSG-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)CC1CC(O)C1 ZINC000877463419 590332188 /nfs/dbraw/zinc/33/21/88/590332188.db2.gz CRIMERIXIXAFMD-UHFFFAOYSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(O)c1 ZINC000877503632 590342798 /nfs/dbraw/zinc/34/27/98/590342798.db2.gz RSEGWJCNYFAELF-BETUJISGSA-N 1 1 249.310 1.300 20 10 BDCDMO Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)ccc1N(C)C ZINC000880420031 591029537 /nfs/dbraw/zinc/02/95/37/591029537.db2.gz WKOMMNAOMZMVLZ-UKRRQHHQSA-N 1 1 246.354 1.628 20 10 BDCDMO C[C@H]([NH2+]CCN1CCC1)c1c(O)cccc1F ZINC000886555362 592259396 /nfs/dbraw/zinc/25/93/96/592259396.db2.gz QQONVHWXBYDXBZ-JTQLQIEISA-N 1 1 238.306 1.888 20 10 BDCDMO COC[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886604920 592272686 /nfs/dbraw/zinc/27/26/86/592272686.db2.gz GELUGBFLSDQFBL-BDAKNGLRSA-N 1 1 243.278 1.189 20 10 BDCDMO C[C@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1[NH3+] ZINC000220189327 592287645 /nfs/dbraw/zinc/28/76/45/592287645.db2.gz VKQVLPSAKUBEOS-CABZTGNLSA-N 1 1 238.306 1.700 20 10 BDCDMO Oc1ccccc1C[NH2+]Cc1cocn1 ZINC000308947773 632567075 /nfs/dbraw/zinc/56/70/75/632567075.db2.gz SZSPYWDQVQXVQG-UHFFFAOYSA-N 1 1 204.229 1.670 20 10 BDCDMO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168828131 633150508 /nfs/dbraw/zinc/15/05/08/633150508.db2.gz WALTZGSTMGJHEM-SFYZADRCSA-N 1 1 240.278 1.446 20 10 BDCDMO Cc1cccc(C[N@@H+](C)CC2CC(O)C2)c1O ZINC000191161368 634204435 /nfs/dbraw/zinc/20/44/35/634204435.db2.gz ZSWHMINMYKHMEI-UHFFFAOYSA-N 1 1 235.327 1.903 20 10 BDCDMO CN(C)c1ccc(/C=C/CNC2CC([NH3+])C2)cc1 ZINC000906509927 638181306 /nfs/dbraw/zinc/18/13/06/638181306.db2.gz CUQVXPOELARUML-ONEGZZNKSA-N 1 1 245.370 1.845 20 10 BDCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(N)=O ZINC000174372661 641274469 /nfs/dbraw/zinc/27/44/69/641274469.db2.gz SDGUSFQNGNJLMU-SNVBAGLBSA-N 1 1 236.315 1.478 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000253232225 642632086 /nfs/dbraw/zinc/63/20/86/642632086.db2.gz BBXURCOIUWHRRZ-SWLSCSKDSA-N 1 1 248.370 1.955 20 10 BDCDMO COc1ccc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320619 644588795 /nfs/dbraw/zinc/58/87/95/644588795.db2.gz RFQOEOYBWYALQB-RYUDHWBXSA-N 1 1 248.326 1.052 20 10 BDCDMO C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1O ZINC000220334355 645890424 /nfs/dbraw/zinc/89/04/24/645890424.db2.gz FZIMEWAYARIGJQ-SKDRFNHKSA-N 1 1 238.306 1.843 20 10 BDCDMO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(F)ccc1O ZINC000220334355 645890430 /nfs/dbraw/zinc/89/04/30/645890430.db2.gz FZIMEWAYARIGJQ-SKDRFNHKSA-N 1 1 238.306 1.843 20 10 BDCDMO C[C@@H](CCNCc1cc(F)ccc1O)[NH+](C)C ZINC000700470950 711993693 /nfs/dbraw/zinc/99/36/93/711993693.db2.gz HNDRDJJAFKGSIM-JTQLQIEISA-N 1 1 240.322 1.961 20 10 BDCDMO COc1cccc(CN(C)C2CC([NH3+])C2)c1O ZINC000385090306 711006189 /nfs/dbraw/zinc/00/61/89/711006189.db2.gz XURDTTTUARWOIS-UHFFFAOYSA-N 1 1 236.315 1.322 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CN2CCC1CC2 ZINC000386444794 711030306 /nfs/dbraw/zinc/03/03/06/711030306.db2.gz CFCIBMFXMONKIW-AWEZNQCLSA-N 1 1 246.354 1.918 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1C ZINC000054543742 711798210 /nfs/dbraw/zinc/79/82/10/711798210.db2.gz DCDVVEHDAYHIFD-LLVKDONJSA-N 1 1 248.326 1.316 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000700591099 711999078 /nfs/dbraw/zinc/99/90/78/711999078.db2.gz PHHXCFROUCRMEX-LBPRGKRZSA-N 1 1 239.290 1.953 20 10 BDCDMO CC[C@@H](O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487593 712211165 /nfs/dbraw/zinc/21/11/65/712211165.db2.gz ZEXHMHADTWTGMR-SNVBAGLBSA-N 1 1 245.269 1.921 20 10 BDCDMO CCc1cccc(C[NH2+]CCCN(C)C)c1O ZINC000709401799 712220857 /nfs/dbraw/zinc/22/08/57/712220857.db2.gz IPAVMPFWOVKDMH-UHFFFAOYSA-N 1 1 236.359 1.996 20 10 BDCDMO C[S@@](=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435160 712397717 /nfs/dbraw/zinc/39/77/17/712397717.db2.gz BBHOXIIODWTGFD-MRXNPFEDSA-N 1 1 249.282 1.139 20 10 BDCDMO CO[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508978 964347855 /nfs/dbraw/zinc/34/78/55/964347855.db2.gz RKZHREFFMMPJAV-SECBINFHSA-N 1 1 243.253 1.891 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508978 964347867 /nfs/dbraw/zinc/34/78/67/964347867.db2.gz RKZHREFFMMPJAV-SECBINFHSA-N 1 1 243.253 1.891 20 10 BDCDMO C[C@@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001334350297 976462478 /nfs/dbraw/zinc/46/24/78/976462478.db2.gz RWHBKUYTKYUIOY-GFCCVEGCSA-N 1 1 243.253 1.627 20 10 BDCDMO Cc1cccc(C[N@@H+](C)CC2COC2)c1O ZINC001231594216 977639808 /nfs/dbraw/zinc/63/98/08/977639808.db2.gz YLNSFHIRFDDHKR-UHFFFAOYSA-N 1 1 221.300 1.779 20 10 BDCDMO Cc1cc(F)cc(C[NH+]2CCN(C)CC2)c1O ZINC001238055660 980132843 /nfs/dbraw/zinc/13/28/43/980132843.db2.gz BLSGTTAPHBIFID-UHFFFAOYSA-N 1 1 238.306 1.587 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1ccc(O)cc1O ZINC000092470723 958650329 /nfs/dbraw/zinc/65/03/29/958650329.db2.gz UVXWVXVMHMDCPS-SNVBAGLBSA-N 1 1 223.272 1.055 20 10 BDCDMO Nc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000036798428 960530246 /nfs/dbraw/zinc/53/02/46/960530246.db2.gz SKMXFCWLTWDGCV-LBPRGKRZSA-N 1 1 206.289 1.226 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC001140742501 960544770 /nfs/dbraw/zinc/54/47/70/960544770.db2.gz PUYWQUYKIJJMCS-QPUJVOFHSA-N 1 1 237.299 1.219 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC001141156420 960890054 /nfs/dbraw/zinc/89/00/54/960890054.db2.gz XEPIYFLSEFKCRG-LLVKDONJSA-N 1 1 223.272 1.055 20 10 BDCDMO CC[N@H+](CCN(C)C)Cc1cc(O)ccc1O ZINC001141156401 960890131 /nfs/dbraw/zinc/89/01/31/960890131.db2.gz WJYCWBVEDQGRRN-UHFFFAOYSA-N 1 1 238.331 1.481 20 10 BDCDMO CC[N@@H+](CCN(C)C)Cc1cc(O)ccc1O ZINC001141156401 960890135 /nfs/dbraw/zinc/89/01/35/960890135.db2.gz WJYCWBVEDQGRRN-UHFFFAOYSA-N 1 1 238.331 1.481 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001141156561 960890898 /nfs/dbraw/zinc/89/08/98/960890898.db2.gz NFNUBVAVRJOTJW-TXEJJXNPSA-N 1 1 235.283 1.461 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001141156561 960890908 /nfs/dbraw/zinc/89/09/08/960890908.db2.gz NFNUBVAVRJOTJW-TXEJJXNPSA-N 1 1 235.283 1.461 20 10 BDCDMO C[N@@H+](Cc1cc(O)ccc1O)C1CCOCC1 ZINC001141156030 960891379 /nfs/dbraw/zinc/89/13/79/960891379.db2.gz OOXOOPSPOCADIE-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO C[N@H+](Cc1cncnc1)Cc1cc(O)ccc1O ZINC001141163253 960905343 /nfs/dbraw/zinc/90/53/43/960905343.db2.gz XHNPFSKMPBHDLT-UHFFFAOYSA-N 1 1 245.282 1.520 20 10 BDCDMO C[N@@H+](Cc1cncnc1)Cc1cc(O)ccc1O ZINC001141163253 960905359 /nfs/dbraw/zinc/90/53/59/960905359.db2.gz XHNPFSKMPBHDLT-UHFFFAOYSA-N 1 1 245.282 1.520 20 10 BDCDMO Oc1cccc2c1C[N@@H+](Cc1cn[nH]c1)CC2 ZINC001203099830 960909553 /nfs/dbraw/zinc/90/95/53/960909553.db2.gz UQCNKQOIOXJVLU-UHFFFAOYSA-N 1 1 229.283 1.674 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC000133886924 962700358 /nfs/dbraw/zinc/70/03/58/962700358.db2.gz OPYQWPJNJLHOBW-GFCCVEGCSA-N 1 1 234.343 1.837 20 10 BDCDMO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142509013 964345133 /nfs/dbraw/zinc/34/51/33/964345133.db2.gz SYGBNECSUBPDDG-VIFPVBQESA-N 1 1 243.253 1.627 20 10 BDCDMO OC[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142509013 964345148 /nfs/dbraw/zinc/34/51/48/964345148.db2.gz SYGBNECSUBPDDG-VIFPVBQESA-N 1 1 243.253 1.627 20 10 BDCDMO Cc1ccc(C)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235991341 966210343 /nfs/dbraw/zinc/21/03/43/966210343.db2.gz LLSZNTFLXKXEBW-WFASDCNBSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)c1O ZINC001235991341 966210366 /nfs/dbraw/zinc/21/03/66/966210366.db2.gz LLSZNTFLXKXEBW-WFASDCNBSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)c1O ZINC001235991341 966210380 /nfs/dbraw/zinc/21/03/80/966210380.db2.gz LLSZNTFLXKXEBW-WFASDCNBSA-N 1 1 246.354 1.932 20 10 BDCDMO O=C1CC[N@@H+](Cc2ccccc2O)CC[C@@H]1F ZINC001203550232 966672438 /nfs/dbraw/zinc/67/24/38/966672438.db2.gz NGVWDMFLUGYASB-NSHDSACASA-N 1 1 237.274 1.895 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1O ZINC001203549943 966678469 /nfs/dbraw/zinc/67/84/69/966678469.db2.gz DMYWUJBDVWFBFE-MFKMUULPSA-N 1 1 221.300 1.595 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@]1(C)O ZINC001203550088 966681686 /nfs/dbraw/zinc/68/16/86/966681686.db2.gz HFOCLSFMOCGTNS-RISCZKNCSA-N 1 1 235.327 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Cc1cccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000718252281 985842855 /nfs/dbraw/zinc/84/28/55/985842855.db2.gz XXCNKCAQQGDMQR-BETUJISGSA-N 1 1 233.311 1.779 20 10 BDCDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)cccc1F ZINC001276354489 986053336 /nfs/dbraw/zinc/05/33/36/986053336.db2.gz WPKGEVADLFQKRK-AOOOYVTPSA-N 1 1 236.290 1.420 20 10 BDCDMO Cc1ccc(CNCC(F)(F)C[NH3+])c(O)c1 ZINC001579696740 986187278 /nfs/dbraw/zinc/18/72/78/986187278.db2.gz CIKCSSKULXGTSP-UHFFFAOYSA-N 1 1 230.258 1.384 20 10 BDCDMO COC1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139669787 990800730 /nfs/dbraw/zinc/80/07/30/990800730.db2.gz OABNWYXGFJWLTH-UHFFFAOYSA-N 1 1 234.343 1.892 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@H](O)CC1 ZINC001137831637 990853323 /nfs/dbraw/zinc/85/33/23/990853323.db2.gz IEOLTUUEAXXLRP-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC001137831637 990853329 /nfs/dbraw/zinc/85/33/29/990853329.db2.gz IEOLTUUEAXXLRP-JTQLQIEISA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@]1(CO)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122650 990884619 /nfs/dbraw/zinc/88/46/19/990884619.db2.gz RVBNQTCEUCWINE-CYBMUJFWSA-N 1 1 239.290 1.736 20 10 BDCDMO C[C@@]1(CO)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122650 990884621 /nfs/dbraw/zinc/88/46/21/990884621.db2.gz RVBNQTCEUCWINE-CYBMUJFWSA-N 1 1 239.290 1.736 20 10 BDCDMO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(N)cc1 ZINC000035063927 990971446 /nfs/dbraw/zinc/97/14/46/990971446.db2.gz KBJLKEIQAYTXPP-UHFFFAOYSA-N 1 1 249.358 1.569 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308743399 991116015 /nfs/dbraw/zinc/11/60/15/991116015.db2.gz WDYLLNSVYOKOQQ-ZETCQYMHSA-N 1 1 231.242 1.483 20 10 BDCDMO C[C@@H](CO)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308743399 991116020 /nfs/dbraw/zinc/11/60/20/991116020.db2.gz WDYLLNSVYOKOQQ-ZETCQYMHSA-N 1 1 231.242 1.483 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308743399 991116022 /nfs/dbraw/zinc/11/60/22/991116022.db2.gz WDYLLNSVYOKOQQ-ZETCQYMHSA-N 1 1 231.242 1.483 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001140058328 991507511 /nfs/dbraw/zinc/50/75/11/991507511.db2.gz WWOVZAHNKOIAON-ZYHUDNBSSA-N 1 1 243.253 1.436 20 10 BDCDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140058216 991509238 /nfs/dbraw/zinc/50/92/38/991509238.db2.gz VGJLOJTYRUARTC-ZJUUUORDSA-N 1 1 239.290 1.734 20 10 BDCDMO C[NH2+]C[C@@H](C)CNCc1ccc(N(C)C)cc1 ZINC001261370683 992277074 /nfs/dbraw/zinc/27/70/74/992277074.db2.gz QTDIDKLQTFDMLL-GFCCVEGCSA-N 1 1 235.375 1.698 20 10 BDCDMO Cn1nccc1C[N@@H+](C)Cc1ccccc1O ZINC000091974539 398304236 /nfs/dbraw/zinc/30/42/36/398304236.db2.gz IBZHODYFWNFSFW-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092763759 343784962 /nfs/dbraw/zinc/78/49/62/343784962.db2.gz MYWIBLWJLDNDLA-SECBINFHSA-N 1 1 241.718 1.860 20 10 BDCDMO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000128082804 343787451 /nfs/dbraw/zinc/78/74/51/343787451.db2.gz WVHGSLIFJYTGIM-SNVBAGLBSA-N 1 1 227.691 1.612 20 10 BDCDMO CC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000128446206 345235766 /nfs/dbraw/zinc/23/57/66/345235766.db2.gz NIHQGOKRKFNXTA-LLVKDONJSA-N 1 1 209.289 1.595 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000271797276 179069510 /nfs/dbraw/zinc/06/95/10/179069510.db2.gz KFONHAUTTFENHS-GFCCVEGCSA-N 1 1 248.326 1.363 20 10 BDCDMO COc1ccc(C[NH2+]CCc2nc[nH]n2)cc1C ZINC000080603137 188312406 /nfs/dbraw/zinc/31/24/06/188312406.db2.gz QQIOROQGOMYHFW-UHFFFAOYSA-N 1 1 246.314 1.454 20 10 BDCDMO CO[C@@H](C)C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000289591328 188388916 /nfs/dbraw/zinc/38/89/16/188388916.db2.gz KKZKZXONEFTFBT-VIFPVBQESA-N 1 1 227.279 1.998 20 10 BDCDMO CO[C@@H](C)C[N@H+](C)Cc1cccc(F)c1O ZINC000289591328 188388918 /nfs/dbraw/zinc/38/89/18/188388918.db2.gz KKZKZXONEFTFBT-VIFPVBQESA-N 1 1 227.279 1.998 20 10 BDCDMO CO[C@@H](C)C[N@@H+](C)Cc1cccc(F)c1O ZINC000289591328 188388920 /nfs/dbraw/zinc/38/89/20/188388920.db2.gz KKZKZXONEFTFBT-VIFPVBQESA-N 1 1 227.279 1.998 20 10 BDCDMO OCC[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179932511 183068795 /nfs/dbraw/zinc/06/87/95/183068795.db2.gz XMCSDVLBISKPAO-UHFFFAOYSA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180026194 183153371 /nfs/dbraw/zinc/15/33/71/183153371.db2.gz HKOQCUSWJFARRP-VIFPVBQESA-N 1 1 225.263 1.346 20 10 BDCDMO Oc1ccccc1C[NH+]1CC(n2ccnn2)C1 ZINC000370071969 183301363 /nfs/dbraw/zinc/30/13/63/183301363.db2.gz JRZRDMVTZPDVLT-UHFFFAOYSA-N 1 1 230.271 1.041 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000294231195 183301735 /nfs/dbraw/zinc/30/17/35/183301735.db2.gz ZHWQKDQCQYOXFT-LBPRGKRZSA-N 1 1 221.300 1.739 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364506964 183302385 /nfs/dbraw/zinc/30/23/85/183302385.db2.gz HHSNOSAITZGYSQ-GFCCVEGCSA-N 1 1 244.298 1.431 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000092764597 384194532 /nfs/dbraw/zinc/19/45/32/384194532.db2.gz VEQYQCRGMKYXLI-LLVKDONJSA-N 1 1 221.300 1.515 20 10 BDCDMO COC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000132679300 384244444 /nfs/dbraw/zinc/24/44/44/384244444.db2.gz WLKJJYKWRFEXJY-JTQLQIEISA-N 1 1 239.315 1.868 20 10 BDCDMO CCOc1cccc(C[N@H+]2CC[C@H](O)C2)c1O ZINC000271117748 384706227 /nfs/dbraw/zinc/70/62/27/384706227.db2.gz WTPPUTDCTZVLHR-NSHDSACASA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(F)cc1O ZINC000083218839 384752371 /nfs/dbraw/zinc/75/23/71/384752371.db2.gz KEVIVFIWRQBOCL-DTWKUNHWSA-N 1 1 227.279 1.810 20 10 BDCDMO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179558525 385473248 /nfs/dbraw/zinc/47/32/48/385473248.db2.gz BRBMZGSBAFYQNF-GFCCVEGCSA-N 1 1 249.310 1.920 20 10 BDCDMO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179558525 385473252 /nfs/dbraw/zinc/47/32/52/385473252.db2.gz BRBMZGSBAFYQNF-GFCCVEGCSA-N 1 1 249.310 1.920 20 10 BDCDMO C[N@H+](Cc1ccccc1O)CC1OCCO1 ZINC000182652257 385691080 /nfs/dbraw/zinc/69/10/80/385691080.db2.gz VJWIFPMAMJFONX-UHFFFAOYSA-N 1 1 223.272 1.197 20 10 BDCDMO CC[C@H](CO)[N@H+](C)Cc1cccc(F)c1O ZINC000295077178 385960230 /nfs/dbraw/zinc/96/02/30/385960230.db2.gz HVYBNMZOQZZHBE-SNVBAGLBSA-N 1 1 227.279 1.734 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cccc(F)c1O ZINC000295077178 385960238 /nfs/dbraw/zinc/96/02/38/385960238.db2.gz HVYBNMZOQZZHBE-SNVBAGLBSA-N 1 1 227.279 1.734 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000235893709 386201623 /nfs/dbraw/zinc/20/16/23/386201623.db2.gz XBARFFRNRPTQRV-AWEZNQCLSA-N 1 1 248.326 1.398 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000289394797 386296587 /nfs/dbraw/zinc/29/65/87/386296587.db2.gz FNMMVDJSSVRNAC-QMMMGPOBSA-N 1 1 229.707 1.858 20 10 BDCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000226564578 386333313 /nfs/dbraw/zinc/33/33/13/386333313.db2.gz VPHLXGCGEAACSA-NSHDSACASA-N 1 1 225.263 1.752 20 10 BDCDMO CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278289206 386506951 /nfs/dbraw/zinc/50/69/51/386506951.db2.gz UTHJQZYISQDZLS-UHFFFAOYSA-N 1 1 240.259 1.761 20 10 BDCDMO CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278289206 386506958 /nfs/dbraw/zinc/50/69/58/386506958.db2.gz UTHJQZYISQDZLS-UHFFFAOYSA-N 1 1 240.259 1.761 20 10 BDCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@H+]1C ZINC000299548731 386464364 /nfs/dbraw/zinc/46/43/64/386464364.db2.gz QFVFSXDECYYDOV-GFCCVEGCSA-N 1 1 248.326 1.445 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC000036768910 171089239 /nfs/dbraw/zinc/08/92/39/171089239.db2.gz VZONBBVSMGMCRC-CYBMUJFWSA-N 1 1 220.316 1.880 20 10 BDCDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000082284152 173053734 /nfs/dbraw/zinc/05/37/34/173053734.db2.gz QQGPYNYEPOLHHY-ZDUSSCGKSA-N 1 1 247.342 1.022 20 10 BDCDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000133594337 173307183 /nfs/dbraw/zinc/30/71/83/173307183.db2.gz ZLBSFRZYZLEGIK-LLVKDONJSA-N 1 1 234.299 1.103 20 10 BDCDMO COc1cccc(C[N@H+]2CCC[C@H]2CO)c1O ZINC000092455895 175259012 /nfs/dbraw/zinc/25/90/12/175259012.db2.gz RWDUPKONCZCITP-NSHDSACASA-N 1 1 237.299 1.358 20 10 BDCDMO COc1cccc(C[N@@H+]2CC[C@H](OC)C2)c1O ZINC000234901862 175260667 /nfs/dbraw/zinc/26/06/67/175260667.db2.gz NOLGFFDUJIMXRJ-NSHDSACASA-N 1 1 237.299 1.622 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000112011580 176174347 /nfs/dbraw/zinc/17/43/47/176174347.db2.gz WFGYCGFUFQWLMT-SECBINFHSA-N 1 1 235.283 1.963 20 10 BDCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180861516 177009967 /nfs/dbraw/zinc/00/99/67/177009967.db2.gz DWKXXHQEYMKAFM-VHSXEESVSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000132475224 177266336 /nfs/dbraw/zinc/26/63/36/177266336.db2.gz BYDJSZQDXJOBQO-JTQLQIEISA-N 1 1 207.273 1.613 20 10 BDCDMO CC[N@H+](CCN)Cc1cc(C)ccc1O ZINC000300771255 582580181 /nfs/dbraw/zinc/58/01/81/582580181.db2.gz CUKQVPMIYQVSOR-UHFFFAOYSA-N 1 1 208.305 1.481 20 10 BDCDMO CC[N@@H+](CCN)Cc1cc(C)ccc1O ZINC000300771255 582580183 /nfs/dbraw/zinc/58/01/83/582580183.db2.gz CUKQVPMIYQVSOR-UHFFFAOYSA-N 1 1 208.305 1.481 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(C)cc1O ZINC000877556243 583328690 /nfs/dbraw/zinc/32/86/90/583328690.db2.gz NGAJAOCJGOMDPC-LBPRGKRZSA-N 1 1 223.316 1.903 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894539843 583480395 /nfs/dbraw/zinc/48/03/95/583480395.db2.gz XKDLVCKCFOPKHH-XCBNKYQSSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894539843 583480397 /nfs/dbraw/zinc/48/03/97/583480397.db2.gz XKDLVCKCFOPKHH-XCBNKYQSSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894771228 583517013 /nfs/dbraw/zinc/51/70/13/583517013.db2.gz ZNFXQLOQFKEUMF-ZETCQYMHSA-N 1 1 231.242 1.483 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894771228 583517017 /nfs/dbraw/zinc/51/70/17/583517017.db2.gz ZNFXQLOQFKEUMF-ZETCQYMHSA-N 1 1 231.242 1.483 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCc2ncncc2C1 ZINC000895722028 583712657 /nfs/dbraw/zinc/71/26/57/583712657.db2.gz BSUXQMWAUQEHGZ-UHFFFAOYSA-N 1 1 241.294 1.741 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCc2ncncc2C1 ZINC000895722028 583712658 /nfs/dbraw/zinc/71/26/58/583712658.db2.gz BSUXQMWAUQEHGZ-UHFFFAOYSA-N 1 1 241.294 1.741 20 10 BDCDMO C[C@@H](CCO)[NH2+]Cc1c(O)cccc1F ZINC000896639221 583819827 /nfs/dbraw/zinc/81/98/27/583819827.db2.gz LRUCESVYSWYMIT-QMMMGPOBSA-N 1 1 213.252 1.392 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1O ZINC000898187313 584093899 /nfs/dbraw/zinc/09/38/99/584093899.db2.gz JIEZVDVICFGOMV-VXGBXAGGSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898194250 584096265 /nfs/dbraw/zinc/09/62/65/584096265.db2.gz WSJKCZPCVUTXHF-AAEUAGOBSA-N 1 1 239.290 1.605 20 10 BDCDMO C[C@H]([NH2+]CC1(N)CC1)c1ccc(N(C)C)cc1 ZINC000902417546 584591044 /nfs/dbraw/zinc/59/10/44/584591044.db2.gz SOSLMENBZHGGKN-NSHDSACASA-N 1 1 233.359 1.895 20 10 BDCDMO Cc1ccc(C[NH2+]Cc2ccon2)c(O)c1 ZINC000877076196 584889682 /nfs/dbraw/zinc/88/96/82/584889682.db2.gz NUHUELYXBSHYDT-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO COC1C[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738225873 585041670 /nfs/dbraw/zinc/04/16/70/585041670.db2.gz PZOPGYVQNNBCGN-UHFFFAOYSA-N 1 1 233.311 1.712 20 10 BDCDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2O)CCN1C ZINC000775985864 585688355 /nfs/dbraw/zinc/68/83/55/585688355.db2.gz PGZKXTOGCMQLMF-RYUDHWBXSA-N 1 1 234.343 1.917 20 10 BDCDMO CC(C)N1CC[N@H+](Cc2ccccc2O)CC1=O ZINC000780793630 585784939 /nfs/dbraw/zinc/78/49/39/585784939.db2.gz UKEKFIBFAGHYJC-UHFFFAOYSA-N 1 1 248.326 1.445 20 10 BDCDMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000783745336 585841683 /nfs/dbraw/zinc/84/16/83/585841683.db2.gz VTEDGKPWYDRFPN-YPMHNXCESA-N 1 1 219.284 1.206 20 10 BDCDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O ZINC000788268581 585920235 /nfs/dbraw/zinc/92/02/35/585920235.db2.gz GKHCDJNANZDBNI-GXSJLCMTSA-N 1 1 207.273 1.347 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788270954 585920756 /nfs/dbraw/zinc/92/07/56/585920756.db2.gz XPABBELVVIWMFU-KOLCDFICSA-N 1 1 237.299 1.356 20 10 BDCDMO CCn1ncnc1C[NH2+]Cc1cccc(C)c1O ZINC000793345921 586017267 /nfs/dbraw/zinc/01/72/67/586017267.db2.gz JFYNBZFJDDCHEA-UHFFFAOYSA-N 1 1 246.314 1.602 20 10 BDCDMO Oc1cccc2c1[C@H]([NH2+]CCNC1CC1)CC2 ZINC000817952558 586847769 /nfs/dbraw/zinc/84/77/69/586847769.db2.gz FVXXUNYWHXQZHR-GFCCVEGCSA-N 1 1 232.327 1.721 20 10 BDCDMO C[C@H](NCC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817965139 586853810 /nfs/dbraw/zinc/85/38/10/586853810.db2.gz MOBVMOKLUUSNCA-NSHDSACASA-N 1 1 233.359 1.623 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000817977103 586860946 /nfs/dbraw/zinc/86/09/46/586860946.db2.gz BIKYSOBCTZOOGZ-BBBLOLIVSA-N 1 1 238.331 1.787 20 10 BDCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000817977103 586860947 /nfs/dbraw/zinc/86/09/47/586860947.db2.gz BIKYSOBCTZOOGZ-BBBLOLIVSA-N 1 1 238.331 1.787 20 10 BDCDMO Cc1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817977582 586861527 /nfs/dbraw/zinc/86/15/27/586861527.db2.gz KXCIJTQRZCSISJ-WUWHUORYSA-N 1 1 232.327 1.569 20 10 BDCDMO C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2O)C1 ZINC000821055101 587091182 /nfs/dbraw/zinc/09/11/82/587091182.db2.gz HCIFDYAKWOYTAD-NSHDSACASA-N 1 1 248.326 1.350 20 10 BDCDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000825104236 587304398 /nfs/dbraw/zinc/30/43/98/587304398.db2.gz RPYLZZLAVDKAQX-BXUZGUMPSA-N 1 1 234.343 1.708 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1C ZINC000827292939 587375870 /nfs/dbraw/zinc/37/58/70/587375870.db2.gz UMMOYNFDPSLXEM-DZGCQCFKSA-N 1 1 247.338 1.966 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC(=O)N(C)CC2)c1O ZINC000827360047 587378266 /nfs/dbraw/zinc/37/82/66/587378266.db2.gz ZWTKJXWUDBSTLK-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO Oc1ccccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000827884417 587407776 /nfs/dbraw/zinc/40/77/76/587407776.db2.gz BFNGPFKKPUNUFV-UHFFFAOYSA-N 1 1 230.271 1.069 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000827884417 587407777 /nfs/dbraw/zinc/40/77/77/587407777.db2.gz BFNGPFKKPUNUFV-UHFFFAOYSA-N 1 1 230.271 1.069 20 10 BDCDMO COC1C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840953722 587931916 /nfs/dbraw/zinc/93/19/16/587931916.db2.gz XFXLIHOOVNMROV-UHFFFAOYSA-N 1 1 234.343 1.892 20 10 BDCDMO CCOc1ccc(CNCC(C)(C)[NH3+])c(O)c1 ZINC000841031608 587937267 /nfs/dbraw/zinc/93/72/67/587937267.db2.gz XUFMMTLCBWNACO-UHFFFAOYSA-N 1 1 238.331 1.618 20 10 BDCDMO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2)c1O ZINC000841033623 587937322 /nfs/dbraw/zinc/93/73/22/587937322.db2.gz YCLKGVALSPZMEM-ZDUSSCGKSA-N 1 1 234.343 1.932 20 10 BDCDMO C[C@@H]1C[C@H](NCc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062930 587941542 /nfs/dbraw/zinc/94/15/42/587941542.db2.gz ZMOZHXMWGBPUSZ-BXKDBHETSA-N 1 1 238.306 1.761 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CN ZINC000841066911 587942957 /nfs/dbraw/zinc/94/29/57/587942957.db2.gz RIHTWBCWANFFEH-NSHDSACASA-N 1 1 221.348 1.498 20 10 BDCDMO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](C)N)cc1C ZINC000841076214 587944328 /nfs/dbraw/zinc/94/43/28/587944328.db2.gz CFHDZYPTDWVHOG-GHMZBOCLSA-N 1 1 222.332 1.834 20 10 BDCDMO Cc1cc(O)c(CN[C@H](C)[C@@H](C)[NH3+])cc1C ZINC000841076214 587944330 /nfs/dbraw/zinc/94/43/30/587944330.db2.gz CFHDZYPTDWVHOG-GHMZBOCLSA-N 1 1 222.332 1.834 20 10 BDCDMO COc1ccc(O)c(CN[C@@H](C)[C@H](C)[NH3+])c1 ZINC000841076993 587944529 /nfs/dbraw/zinc/94/45/29/587944529.db2.gz VXYKDLPITNOBDF-IUCAKERBSA-N 1 1 224.304 1.226 20 10 BDCDMO Oc1ccccc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841077574 587944594 /nfs/dbraw/zinc/94/45/94/587944594.db2.gz BUPQASIIFIKBSG-QWRGUYRKSA-N 1 1 224.279 1.182 20 10 BDCDMO CN(C)c1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000843045961 588076396 /nfs/dbraw/zinc/07/63/96/588076396.db2.gz MSUBNSJLGBFHKR-UHFFFAOYSA-N 1 1 247.386 1.936 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCNCC2(C)C)c1O ZINC000843054469 588076539 /nfs/dbraw/zinc/07/65/39/588076539.db2.gz MWZIYWALSHKTLV-UHFFFAOYSA-N 1 1 234.343 1.884 20 10 BDCDMO Cc1cccc(C[N@H+]2CCNCC2(C)C)c1O ZINC000843054469 588076540 /nfs/dbraw/zinc/07/65/40/588076540.db2.gz MWZIYWALSHKTLV-UHFFFAOYSA-N 1 1 234.343 1.884 20 10 BDCDMO Cc1cccc(C[N@H+]2[C@H](C)CNC[C@@H]2C)c1O ZINC000843065708 588078382 /nfs/dbraw/zinc/07/83/82/588078382.db2.gz OZWBUVPMECZALX-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2[C@H](C)CNC[C@@H]2C)c1O ZINC000843065708 588078384 /nfs/dbraw/zinc/07/83/84/588078384.db2.gz OZWBUVPMECZALX-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](C)NC[C@H]2C)c1O ZINC000843120114 588083703 /nfs/dbraw/zinc/08/37/03/588083703.db2.gz XVAXHMUNUWWCIZ-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)NC[C@H]2C)c1O ZINC000843120114 588083706 /nfs/dbraw/zinc/08/37/06/588083706.db2.gz XVAXHMUNUWWCIZ-VXGBXAGGSA-N 1 1 234.343 1.883 20 10 BDCDMO Nc1ccc(CCN[C@@H]2CCC[NH2+]C2)cc1 ZINC000843126657 588084642 /nfs/dbraw/zinc/08/46/42/588084642.db2.gz SFHVTBCJKYNXAB-CYBMUJFWSA-N 1 1 219.332 1.153 20 10 BDCDMO C[C@H]1CNC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127147 588084881 /nfs/dbraw/zinc/08/48/81/588084881.db2.gz ZRQPHGCBKYBMQS-RISCZKNCSA-N 1 1 233.359 1.399 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@H](C)CCO)c1O ZINC000846112716 588257313 /nfs/dbraw/zinc/25/73/13/588257313.db2.gz WXJIXOCLGKJAJL-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO CON1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000846970292 588299114 /nfs/dbraw/zinc/29/91/14/588299114.db2.gz CWRKWKFJLNJLCV-UHFFFAOYSA-N 1 1 249.358 1.432 20 10 BDCDMO CCc1cccc(C[N@@H+](C)CCO)c1O ZINC000848876766 588416063 /nfs/dbraw/zinc/41/60/63/588416063.db2.gz MFJHNEYNNBIYKP-UHFFFAOYSA-N 1 1 209.289 1.379 20 10 BDCDMO CCc1cccc(C[NH2+]Cc2nonc2C)c1O ZINC000848910257 588419151 /nfs/dbraw/zinc/41/91/51/588419151.db2.gz HDVIMLFDAQAJLR-UHFFFAOYSA-N 1 1 247.298 1.936 20 10 BDCDMO CCc1cccc(C[N@@H+](C)CCCO)c1O ZINC000848909627 588419453 /nfs/dbraw/zinc/41/94/53/588419453.db2.gz YGEPYFPFKVCSNN-UHFFFAOYSA-N 1 1 223.316 1.769 20 10 BDCDMO COc1ccc(O)c(C[NH+]2CC3(C2)CCCO3)c1 ZINC000862484354 589217084 /nfs/dbraw/zinc/21/70/84/589217084.db2.gz LLSITYATXJEJRL-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876619904 590223125 /nfs/dbraw/zinc/22/31/25/590223125.db2.gz FNLHZRPXDJMPEF-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@@H+](CCO)CC2CC2)c(O)c1 ZINC000876640124 590225289 /nfs/dbraw/zinc/22/52/89/590225289.db2.gz ZFMIMKZMORJTBG-UHFFFAOYSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1 ZINC000876689980 590231035 /nfs/dbraw/zinc/23/10/35/590231035.db2.gz CZRLMTGEYSEJNF-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(N)cc1 ZINC000877077049 590278677 /nfs/dbraw/zinc/27/86/77/590278677.db2.gz UYPHPKZAUVDJCY-ZDUSSCGKSA-N 1 1 247.342 1.716 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)c(O)c1 ZINC000877461306 590331020 /nfs/dbraw/zinc/33/10/20/590331020.db2.gz DKKGRLHHCVWKEH-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(O)c1 ZINC000877461306 590331024 /nfs/dbraw/zinc/33/10/24/590331024.db2.gz DKKGRLHHCVWKEH-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c(O)c1 ZINC000877486865 590338916 /nfs/dbraw/zinc/33/89/16/590338916.db2.gz SJFSGBFRSLZZJH-ZDUSSCGKSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@](F)(CO)C1 ZINC000877505019 590343310 /nfs/dbraw/zinc/34/33/10/590343310.db2.gz WONZMQHLNZWZFK-CYBMUJFWSA-N 1 1 239.290 1.607 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)c(O)c1 ZINC000877532957 590350393 /nfs/dbraw/zinc/35/03/93/590350393.db2.gz XRMMGXKMOHVEOX-LLVKDONJSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)c(O)c1 ZINC000877586494 590368009 /nfs/dbraw/zinc/36/80/09/590368009.db2.gz HLPXCYNIOKIFOK-GFCCVEGCSA-N 1 1 239.290 1.871 20 10 BDCDMO Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)c(O)c1 ZINC000877586494 590368012 /nfs/dbraw/zinc/36/80/12/590368012.db2.gz HLPXCYNIOKIFOK-GFCCVEGCSA-N 1 1 239.290 1.871 20 10 BDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877594945 590370158 /nfs/dbraw/zinc/37/01/58/590370158.db2.gz NHORIXABKCUYAG-CYBMUJFWSA-N 1 1 248.326 1.411 20 10 BDCDMO CCn1ncc(C[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877647931 590383898 /nfs/dbraw/zinc/38/38/98/590383898.db2.gz JTXPQCMDHGEAHP-UHFFFAOYSA-N 1 1 246.314 1.602 20 10 BDCDMO CCCC[N@@H+](CCO)Cc1ccccc1O ZINC000128549734 591118957 /nfs/dbraw/zinc/11/89/57/591118957.db2.gz KPXKDVGIJSZFCX-UHFFFAOYSA-N 1 1 223.316 1.987 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000132479765 591713048 /nfs/dbraw/zinc/71/30/48/591713048.db2.gz HGUGINYYIJHURZ-GFCCVEGCSA-N 1 1 221.300 1.657 20 10 BDCDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058743 592008697 /nfs/dbraw/zinc/00/86/97/592008697.db2.gz JZIPFPQVEOOPHS-OCCSQVGLSA-N 1 1 247.386 1.922 20 10 BDCDMO C[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886509988 592240731 /nfs/dbraw/zinc/24/07/31/592240731.db2.gz OIOYBVBETSUOGR-SFYZADRCSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCOC1)c1c(O)cccc1F ZINC000886554746 592259532 /nfs/dbraw/zinc/25/95/32/592259532.db2.gz BICCFANHUVTQOJ-BDAKNGLRSA-N 1 1 225.263 1.971 20 10 BDCDMO C[C@@H]([NH2+]C/C=C\CO)c1c(O)cccc1F ZINC000886636071 592284245 /nfs/dbraw/zinc/28/42/45/592284245.db2.gz FSWKWNILDIJVJU-PKRMOACSSA-N 1 1 225.263 1.730 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000300334417 592506989 /nfs/dbraw/zinc/50/69/89/592506989.db2.gz NTCSXYVSZNTXQR-LLVKDONJSA-N 1 1 225.263 1.752 20 10 BDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000228356032 635459688 /nfs/dbraw/zinc/45/96/88/635459688.db2.gz SMCRVUWEJIXKIS-CYBMUJFWSA-N 1 1 248.326 1.411 20 10 BDCDMO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168828041 633150479 /nfs/dbraw/zinc/15/04/79/633150479.db2.gz WALTZGSTMGJHEM-YUMQZZPRSA-N 1 1 240.278 1.446 20 10 BDCDMO CC(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000034823187 635823788 /nfs/dbraw/zinc/82/37/88/635823788.db2.gz WRCLASGAARZNES-UHFFFAOYSA-N 1 1 247.386 1.936 20 10 BDCDMO COc1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1C ZINC000906508594 638180992 /nfs/dbraw/zinc/18/09/92/638180992.db2.gz RDTKJSGDRZSYRC-HAQNSBGRSA-N 1 1 220.316 1.583 20 10 BDCDMO [NH3+][C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000906518020 638188333 /nfs/dbraw/zinc/18/83/33/638188333.db2.gz NFHBNQQPSCVWFW-JOCQHMNTSA-N 1 1 232.327 1.591 20 10 BDCDMO C[N@@H+](Cc1cnccn1)Cc1ccccc1O ZINC000179564377 642725333 /nfs/dbraw/zinc/72/53/33/642725333.db2.gz ZUFGQMMPSULOMC-UHFFFAOYSA-N 1 1 229.283 1.814 20 10 BDCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCOC1 ZINC000180242078 642781062 /nfs/dbraw/zinc/78/10/62/642781062.db2.gz FPOAFWPJMYACFK-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1[O-])CC1CC(O)C1 ZINC000276806115 643019794 /nfs/dbraw/zinc/01/97/94/643019794.db2.gz UDYIEABADHBNSJ-UHFFFAOYSA-N 1 1 239.290 1.734 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1O)CC1CC(O)C1 ZINC000276806115 643019800 /nfs/dbraw/zinc/01/98/00/643019800.db2.gz UDYIEABADHBNSJ-UHFFFAOYSA-N 1 1 239.290 1.734 20 10 BDCDMO C[N@H+](Cc1cccc(F)c1O)CC1CC(O)C1 ZINC000276806115 643019817 /nfs/dbraw/zinc/01/98/17/643019817.db2.gz UDYIEABADHBNSJ-UHFFFAOYSA-N 1 1 239.290 1.734 20 10 BDCDMO COc1cccc(C[NH2+]Cc2c[nH]cn2)c1O ZINC000088750883 644528981 /nfs/dbraw/zinc/52/89/81/644528981.db2.gz DSUVBHWCKYQJRO-UHFFFAOYSA-N 1 1 233.271 1.414 20 10 BDCDMO CN1CC(C[N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC000827125988 645073352 /nfs/dbraw/zinc/07/33/52/645073352.db2.gz VCSKWHAAQPFXIS-UHFFFAOYSA-N 1 1 238.306 1.525 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000708442597 712194913 /nfs/dbraw/zinc/19/49/13/712194913.db2.gz NPJWPQHEVJSVSL-QMMMGPOBSA-N 1 1 243.253 1.797 20 10 BDCDMO C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1[O-] ZINC000227742660 711832732 /nfs/dbraw/zinc/83/27/32/711832732.db2.gz YCRPECFCLXYNHK-UHFFFAOYSA-N 1 1 228.723 1.826 20 10 BDCDMO C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1[O-] ZINC000227742660 711832733 /nfs/dbraw/zinc/83/27/33/711832733.db2.gz YCRPECFCLXYNHK-UHFFFAOYSA-N 1 1 228.723 1.826 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCO1 ZINC000708446128 712194869 /nfs/dbraw/zinc/19/48/69/712194869.db2.gz ZMWUBLSIHCFXPV-SNVBAGLBSA-N 1 1 243.253 1.939 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156600 960893383 /nfs/dbraw/zinc/89/33/83/960893383.db2.gz OHCCZLJFXUAPHH-VIFPVBQESA-N 1 1 207.273 1.940 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204275272 966954148 /nfs/dbraw/zinc/95/41/48/966954148.db2.gz NOLNMMFBRQUWCT-LLVKDONJSA-N 1 1 223.272 1.319 20 10 BDCDMO Nc1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218230942 971644032 /nfs/dbraw/zinc/64/40/32/971644032.db2.gz FWQLQMVMXXLKPQ-SECBINFHSA-N 1 1 214.215 1.255 20 10 BDCDMO C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140057789 957503119 /nfs/dbraw/zinc/50/31/19/957503119.db2.gz MIYAYOLPHDHLNT-ZDUSSCGKSA-N 1 1 239.290 1.736 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000689856383 959347511 /nfs/dbraw/zinc/34/75/11/959347511.db2.gz AEYFNEPMXMHSET-SNVBAGLBSA-N 1 1 225.263 1.945 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2CC(C)(N(C)C)C2)c1 ZINC001140622977 960467425 /nfs/dbraw/zinc/46/74/25/960467425.db2.gz JQUXOXHLDSGZJB-UHFFFAOYSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1c(O)ccc(C[N@H+](C)C2(C)COC2)c1O ZINC001140748830 960549681 /nfs/dbraw/zinc/54/96/81/960549681.db2.gz LKDJXCKTAMOPFX-UHFFFAOYSA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001140947959 960731797 /nfs/dbraw/zinc/73/17/97/960731797.db2.gz MZOCUJZQKHGEPW-CQSZACIVSA-N 1 1 235.327 1.905 20 10 BDCDMO C[C@@H]1C[NH+](Cc2cc(O)ccc2O)C[C@@H](C)O1 ZINC001141155624 960889632 /nfs/dbraw/zinc/88/96/32/960889632.db2.gz BOKQRJZUVKBKGY-NXEZZACHSA-N 1 1 237.299 1.707 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141155958 960890963 /nfs/dbraw/zinc/89/09/63/960890963.db2.gz BYCKLTWVXBRZGE-SNVBAGLBSA-N 1 1 237.299 1.709 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC001141156421 960891720 /nfs/dbraw/zinc/89/17/20/960891720.db2.gz XEPIYFLSEFKCRG-NSHDSACASA-N 1 1 223.272 1.055 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001141161813 960899122 /nfs/dbraw/zinc/89/91/22/960899122.db2.gz YXBQVBDFAXYOFT-IINYFYTJSA-N 1 1 249.310 1.709 20 10 BDCDMO 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CCN1C[C@@H](C)[N@H+](Cc2ccccc2O)CC1=O ZINC001203560865 979764817 /nfs/dbraw/zinc/76/48/17/979764817.db2.gz IJDYNHKYBAJGLF-LLVKDONJSA-N 1 1 248.326 1.445 20 10 BDCDMO CCN1C[C@@H](C)[N@@H+](Cc2ccccc2O)CC1=O ZINC001203560865 979764827 /nfs/dbraw/zinc/76/48/27/979764827.db2.gz IJDYNHKYBAJGLF-LLVKDONJSA-N 1 1 248.326 1.445 20 10 BDCDMO C[C@H]([NH3+])CN(C)Cc1cc(F)cc(Cl)c1O ZINC001236907744 979791659 /nfs/dbraw/zinc/79/16/59/979791659.db2.gz GHKOPDXTYVMSAU-ZETCQYMHSA-N 1 1 246.713 1.964 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001237485733 979909222 /nfs/dbraw/zinc/90/92/22/979909222.db2.gz QXUDXMQLPMXTFL-RISCZKNCSA-N 1 1 235.327 1.903 20 10 BDCDMO COC(=O)[C@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC001237485799 979911344 /nfs/dbraw/zinc/91/13/44/979911344.db2.gz SYZLDKAPHQALTR-GFCCVEGCSA-N 1 1 249.310 1.838 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875843 982557624 /nfs/dbraw/zinc/55/76/24/982557624.db2.gz XHHDZPAFIQMWOQ-SNVBAGLBSA-N 1 1 223.272 1.055 20 10 BDCDMO 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Nc1ccc(CC[NH2+][C@@H]2CCCCNC2)cc1 ZINC001246466617 987826705 /nfs/dbraw/zinc/82/67/05/987826705.db2.gz PQNZZYLEZKMLOS-CQSZACIVSA-N 1 1 233.359 1.543 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001137831507 990854081 /nfs/dbraw/zinc/85/40/81/990854081.db2.gz CAHWFUCTTCCTKP-ZYHUDNBSSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001137831507 990854083 /nfs/dbraw/zinc/85/40/83/990854083.db2.gz CAHWFUCTTCCTKP-ZYHUDNBSSA-N 1 1 243.253 1.436 20 10 BDCDMO C[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137832032 990857523 /nfs/dbraw/zinc/85/75/23/990857523.db2.gz XSSRPPDPOSNTSE-CYBMUJFWSA-N 1 1 239.290 1.736 20 10 BDCDMO C[C@@]1(CO)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137832032 990857526 /nfs/dbraw/zinc/85/75/26/990857526.db2.gz XSSRPPDPOSNTSE-CYBMUJFWSA-N 1 1 239.290 1.736 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCCNC(=O)C2)c1O ZINC001140178406 991551826 /nfs/dbraw/zinc/55/18/26/991551826.db2.gz KTTCCHGHUNRJRN-UHFFFAOYSA-N 1 1 248.326 1.331 20 10 BDCDMO [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC000380056175 993312949 /nfs/dbraw/zinc/31/29/49/993312949.db2.gz NHXGIPOUQMVYIS-LBPRGKRZSA-N 1 1 234.343 1.953 20 10 BDCDMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000380056175 993312961 /nfs/dbraw/zinc/31/29/61/993312961.db2.gz NHXGIPOUQMVYIS-LBPRGKRZSA-N 1 1 234.343 1.953 20 10 BDCDMO CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC001302532902 995124926 /nfs/dbraw/zinc/12/49/26/995124926.db2.gz TZHZDJKJQUZPIU-ZYHUDNBSSA-N 1 1 248.326 1.664 20 10 BDCDMO CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC001302532902 995124933 /nfs/dbraw/zinc/12/49/33/995124933.db2.gz TZHZDJKJQUZPIU-ZYHUDNBSSA-N 1 1 248.326 1.664 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cccc(C)c1O ZINC000295021571 398264838 /nfs/dbraw/zinc/26/48/38/398264838.db2.gz CHKODZXRUSDEQH-GFCCVEGCSA-N 1 1 223.316 1.903 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC000011727392 342842709 /nfs/dbraw/zinc/84/27/09/342842709.db2.gz TWCAYHROZDSMHW-AWEZNQCLSA-N 1 1 234.343 1.709 20 10 BDCDMO CN(C)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000132724094 398341245 /nfs/dbraw/zinc/34/12/45/398341245.db2.gz VDHQAEIAGURHGF-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO C[NH+](C)[C@H]1CCN(Cc2ccccc2O)C1 ZINC000132724094 398341246 /nfs/dbraw/zinc/34/12/46/398341246.db2.gz VDHQAEIAGURHGF-LBPRGKRZSA-N 1 1 220.316 1.528 20 10 BDCDMO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000093050554 344307883 /nfs/dbraw/zinc/30/78/83/344307883.db2.gz HFFCISUIIAOTNF-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093050554 344307885 /nfs/dbraw/zinc/30/78/85/344307885.db2.gz HFFCISUIIAOTNF-GFCCVEGCSA-N 1 1 248.326 1.411 20 10 BDCDMO COc1cccc(C[N@@H+](C)CC(C)(C)O)c1O ZINC000093414641 345669646 /nfs/dbraw/zinc/66/96/46/345669646.db2.gz DYPUWFLOYVQDFE-UHFFFAOYSA-N 1 1 239.315 1.604 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000295091660 179072108 /nfs/dbraw/zinc/07/21/08/179072108.db2.gz TXNVJZTUBNYNCH-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1O ZINC000295091660 179072110 /nfs/dbraw/zinc/07/21/10/179072110.db2.gz TXNVJZTUBNYNCH-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO CC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000111236158 188327789 /nfs/dbraw/zinc/32/77/89/188327789.db2.gz IACCOJPGWNGHRB-UHFFFAOYSA-N 1 1 207.273 1.803 20 10 BDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCNC(=O)CC1 ZINC000377545399 357234336 /nfs/dbraw/zinc/23/43/36/357234336.db2.gz XWISUKGCKDRVKQ-LBPRGKRZSA-N 1 1 248.326 1.665 20 10 BDCDMO CN1CCC[N@@H+](Cc2ccccc2O)CC1=O ZINC000191663320 357782219 /nfs/dbraw/zinc/78/22/19/357782219.db2.gz ZLUFWCZWZDSSEX-UHFFFAOYSA-N 1 1 234.299 1.056 20 10 BDCDMO OCC[N@@H+](Cc1ccccc1O)C1CC1 ZINC000128550729 183069435 /nfs/dbraw/zinc/06/94/35/183069435.db2.gz DUGUZJUULTWNMQ-UHFFFAOYSA-N 1 1 207.273 1.349 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]CCC1(O)CCC1 ZINC000285331713 183254062 /nfs/dbraw/zinc/25/40/62/183254062.db2.gz XLYAACJIQXYDDM-UHFFFAOYSA-N 1 1 239.290 1.926 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000092455960 384180348 /nfs/dbraw/zinc/18/03/48/384180348.db2.gz KQFIHBQRNFMOGI-LBPRGKRZSA-N 1 1 221.300 1.657 20 10 BDCDMO C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1O ZINC000120532859 384358269 /nfs/dbraw/zinc/35/82/69/384358269.db2.gz YEHMZRZVOOADNG-NSHDSACASA-N 1 1 249.310 1.777 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191721889 385319155 /nfs/dbraw/zinc/31/91/55/385319155.db2.gz LOQXAIQCHNDMTO-YPMHNXCESA-N 1 1 235.327 1.761 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000155011113 385369868 /nfs/dbraw/zinc/36/98/68/385369868.db2.gz SWVLMMBNWLNLHU-NSHDSACASA-N 1 1 248.326 1.398 20 10 BDCDMO C[C@H]([NH2+]CCCCO)c1ccc(F)cc1O ZINC000193282113 385390737 /nfs/dbraw/zinc/39/07/37/385390737.db2.gz MPZQROQZCWMVMS-VIFPVBQESA-N 1 1 227.279 1.954 20 10 BDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2O)C1 ZINC000179582942 385476593 /nfs/dbraw/zinc/47/65/93/385476593.db2.gz WCFBBGSXOXONKM-CQSZACIVSA-N 1 1 249.310 1.777 20 10 BDCDMO C[N@@H+](CCn1cccn1)Cc1cc(F)ccc1O ZINC000180146789 385507992 /nfs/dbraw/zinc/50/79/92/385507992.db2.gz YEHLOPZURKLOTM-UHFFFAOYSA-N 1 1 249.289 1.860 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180244709 385515979 /nfs/dbraw/zinc/51/59/79/385515979.db2.gz YXVWMSDCOKTGFJ-LBPRGKRZSA-N 1 1 225.263 1.488 20 10 BDCDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180861568 385552316 /nfs/dbraw/zinc/55/23/16/385552316.db2.gz DWKXXHQEYMKAFM-ZJUUUORDSA-N 1 1 239.290 1.734 20 10 BDCDMO CCOC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000269665725 385619924 /nfs/dbraw/zinc/61/99/24/385619924.db2.gz VRZZZAMNXPWHKF-GFCCVEGCSA-N 1 1 239.315 1.221 20 10 BDCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000271353982 385821722 /nfs/dbraw/zinc/82/17/22/385821722.db2.gz QACQIIMMPJLHIZ-DZGCQCFKSA-N 1 1 248.370 1.955 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1O ZINC000289179924 386269931 /nfs/dbraw/zinc/26/99/31/386269931.db2.gz AKDWHFRIQPHYGU-QMMMGPOBSA-N 1 1 213.252 1.344 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000372653889 387318632 /nfs/dbraw/zinc/31/86/32/387318632.db2.gz ZBMKFUGLBDBWAY-NEPJUHHUSA-N 1 1 239.290 1.605 20 10 BDCDMO C[C@@H](O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000291119791 398089934 /nfs/dbraw/zinc/08/99/34/398089934.db2.gz UTUQNQQEQUKVDO-MRVPVSSYSA-N 1 1 229.707 1.858 20 10 BDCDMO CC1(C)[C@H]([NH2+]Cc2cccc(F)c2O)C[C@@H]1O ZINC000128262610 168001718 /nfs/dbraw/zinc/00/17/18/168001718.db2.gz GUXGBOGDRUOHRG-MNOVXSKESA-N 1 1 239.290 1.780 20 10 BDCDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000299580192 173024449 /nfs/dbraw/zinc/02/44/49/173024449.db2.gz SXNOQNAHWCFXDX-LLVKDONJSA-N 1 1 234.299 1.103 20 10 BDCDMO CN1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000116279495 173119906 /nfs/dbraw/zinc/11/99/06/173119906.db2.gz MMVAICGUUJDYGE-LLVKDONJSA-N 1 1 234.299 1.055 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000139746883 174280415 /nfs/dbraw/zinc/28/04/15/174280415.db2.gz BOUBBXWMJQCKRO-UHFFFAOYSA-N 1 1 213.252 1.610 20 10 BDCDMO COCC[N@@H+](CCO)Cc1cc(C)ccc1O ZINC000093006097 174292997 /nfs/dbraw/zinc/29/29/97/174292997.db2.gz SSLHOFNRKBFUNF-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO COCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062744697 174340323 /nfs/dbraw/zinc/34/03/23/174340323.db2.gz STNRTYCKGNRJTQ-MRVPVSSYSA-N 1 1 213.252 1.828 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000271732850 175157640 /nfs/dbraw/zinc/15/76/40/175157640.db2.gz NMWQQESXPPMKTA-SNVBAGLBSA-N 1 1 237.299 1.215 20 10 BDCDMO COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000211543973 175261366 /nfs/dbraw/zinc/26/13/66/175261366.db2.gz ZDJSDVBZXBWVKG-TXEJJXNPSA-N 1 1 249.310 1.764 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1CO ZINC000191718164 176301351 /nfs/dbraw/zinc/30/13/51/176301351.db2.gz MMPJQHKRSRBNEX-KOLCDFICSA-N 1 1 239.290 1.592 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CO ZINC000191718327 176307512 /nfs/dbraw/zinc/30/75/12/176307512.db2.gz QAUVOJDQDHTZCI-PWSUYJOCSA-N 1 1 221.300 1.452 20 10 BDCDMO CNC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000854232554 588781365 /nfs/dbraw/zinc/78/13/65/588781365.db2.gz SKNSDZOCPDTFDI-GHMZBOCLSA-N 1 1 222.332 1.959 20 10 BDCDMO CNC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000854232469 588781611 /nfs/dbraw/zinc/78/16/11/588781611.db2.gz QUBXYVCTTFBWAG-GXSJLCMTSA-N 1 1 220.316 1.577 20 10 BDCDMO CN(CCC[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000118758154 582844954 /nfs/dbraw/zinc/84/49/54/582844954.db2.gz IYXNZSARLMNKIK-UHFFFAOYSA-N 1 1 249.358 1.427 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c1 ZINC000895645378 583700843 /nfs/dbraw/zinc/70/08/43/583700843.db2.gz PYCQMJAAEYQKKL-AAEUAGOBSA-N 1 1 219.284 1.267 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895781389 583728572 /nfs/dbraw/zinc/72/85/72/583728572.db2.gz QYLBGAYKRJDHOT-YUTCNCBUSA-N 1 1 247.338 1.903 20 10 BDCDMO CO[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000895968220 583754422 /nfs/dbraw/zinc/75/44/22/583754422.db2.gz KCEVEPMBSQCIAA-ZDUSSCGKSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000895968220 583754423 /nfs/dbraw/zinc/75/44/23/583754423.db2.gz KCEVEPMBSQCIAA-ZDUSSCGKSA-N 1 1 237.299 1.505 20 10 BDCDMO Cc1nn(C)cc1C[NH2+]Cc1c(O)cccc1F ZINC000896639227 583819640 /nfs/dbraw/zinc/81/96/40/583819640.db2.gz BJCFWLJWKYMJLV-UHFFFAOYSA-N 1 1 249.289 1.863 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898188124 584094304 /nfs/dbraw/zinc/09/43/04/584094304.db2.gz KGDUNVCQJLOXQC-AAEUAGOBSA-N 1 1 239.290 1.605 20 10 BDCDMO CCOc1cccc(CN[C@H](C)[C@H](C)[NH3+])c1O ZINC000841076743 584756105 /nfs/dbraw/zinc/75/61/05/584756105.db2.gz NXVJBZRARVVDOQ-VHSXEESVSA-N 1 1 238.331 1.616 20 10 BDCDMO CCOc1cccc(CN[C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841076744 584756124 /nfs/dbraw/zinc/75/61/24/584756124.db2.gz NXVJBZRARVVDOQ-ZJUUUORDSA-N 1 1 238.331 1.616 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000825315400 585029267 /nfs/dbraw/zinc/02/92/67/585029267.db2.gz AAJXTUISEHYUCD-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCOC1)c1c(O)cccc1F ZINC000886554749 585160533 /nfs/dbraw/zinc/16/05/33/585160533.db2.gz BICCFANHUVTQOJ-RKDXNWHRSA-N 1 1 225.263 1.971 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)C2CC(O)C2)c1 ZINC000761222538 585412456 /nfs/dbraw/zinc/41/24/56/585412456.db2.gz KMONJGYAPGSHPF-UHFFFAOYSA-N 1 1 221.300 1.656 20 10 BDCDMO OCC[N@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000778999783 585743847 /nfs/dbraw/zinc/74/38/47/585743847.db2.gz QVWAOQIHDZDPII-UHFFFAOYSA-N 1 1 239.290 1.736 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000785765158 585880185 /nfs/dbraw/zinc/88/01/85/585880185.db2.gz SLHXKDRMSNCWFD-SMDDNHRTSA-N 1 1 234.343 1.565 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788266903 585920428 /nfs/dbraw/zinc/92/04/28/585920428.db2.gz CXUXWLXMQHACHS-CMPLNLGQSA-N 1 1 221.300 1.656 20 10 BDCDMO C[C@]1(CO)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000788435040 585923106 /nfs/dbraw/zinc/92/31/06/585923106.db2.gz DISOIGPMKPEQEV-CYBMUJFWSA-N 1 1 239.290 1.878 20 10 BDCDMO CC[C@H]1CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793820153 586027087 /nfs/dbraw/zinc/02/70/87/586027087.db2.gz KLLDDXKGDQJCTA-GWCFXTLKSA-N 1 1 249.310 1.802 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000802657685 586308824 /nfs/dbraw/zinc/30/88/24/586308824.db2.gz NNBKDLAUKCROMC-BETUJISGSA-N 1 1 249.310 1.300 20 10 BDCDMO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccccc1O ZINC000809576430 586507856 /nfs/dbraw/zinc/50/78/56/586507856.db2.gz VUCKVWZWIOMBGI-CYBMUJFWSA-N 1 1 237.299 1.164 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000809743353 586516198 /nfs/dbraw/zinc/51/61/98/586516198.db2.gz YESIURKDKUSWPP-UHFFFAOYSA-N 1 1 247.298 1.990 20 10 BDCDMO Cc1cc(N(C)C)ccc1CN[C@@H](C)C1C[NH2+]C1 ZINC000817895027 586835332 /nfs/dbraw/zinc/83/53/32/586835332.db2.gz SVXNKSFUAVEUSG-LBPRGKRZSA-N 1 1 247.386 1.759 20 10 BDCDMO CC[NH2+]CCN[C@H](C)c1cc(F)cc(F)c1O ZINC000817952809 586848785 /nfs/dbraw/zinc/84/87/85/586848785.db2.gz UFYPZYLYJSGDOK-MRVPVSSYSA-N 1 1 244.285 1.931 20 10 BDCDMO CC[C@@H]([NH2+]C1CNC1)c1ccccc1O ZINC000817955697 586849583 /nfs/dbraw/zinc/84/95/83/586849583.db2.gz FQJQJHBOIYXGHV-LLVKDONJSA-N 1 1 206.289 1.405 20 10 BDCDMO C[C@@H](NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817958523 586850503 /nfs/dbraw/zinc/85/05/03/586850503.db2.gz WPLYWENEEABAMI-RISCZKNCSA-N 1 1 233.359 1.541 20 10 BDCDMO N[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964769 586854064 /nfs/dbraw/zinc/85/40/64/586854064.db2.gz HJHGBZGWEIIBHN-VXGBXAGGSA-N 1 1 232.327 1.706 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@@H](C)C[NH3+])c1 ZINC000817970034 586856002 /nfs/dbraw/zinc/85/60/02/586856002.db2.gz JXHWLARLVXZPLP-IUCAKERBSA-N 1 1 224.304 1.399 20 10 BDCDMO CN1C[C@@H]2CCC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000822521110 587172713 /nfs/dbraw/zinc/17/27/13/587172713.db2.gz WKRMAZKERGKXMF-GXTWGEPZSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@@H+]1C[C@@H]2CCCN(Cc3ccccc3O)[C@@H]2C1 ZINC000822521110 587172714 /nfs/dbraw/zinc/17/27/14/587172714.db2.gz WKRMAZKERGKXMF-GXTWGEPZSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1C[C@@H]2CCCN(Cc3ccccc3O)[C@@H]2C1 ZINC000822521110 587172715 /nfs/dbraw/zinc/17/27/15/587172715.db2.gz WKRMAZKERGKXMF-GXTWGEPZSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244124 587652185 /nfs/dbraw/zinc/65/21/85/587652185.db2.gz LFXGPATUEFHMLQ-GFCCVEGCSA-N 1 1 233.315 1.692 20 10 BDCDMO CN(C)c1ccc(/C=C/C[N@H+](C)CC(N)=O)cc1 ZINC000835025746 587779012 /nfs/dbraw/zinc/77/90/12/587779012.db2.gz MOHUWNDIYZVTBQ-SNAWJCMRSA-N 1 1 247.342 1.183 20 10 BDCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC(N)=O)cc1 ZINC000835025746 587779013 /nfs/dbraw/zinc/77/90/13/587779013.db2.gz MOHUWNDIYZVTBQ-SNAWJCMRSA-N 1 1 247.342 1.183 20 10 BDCDMO [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000841029677 587936149 /nfs/dbraw/zinc/93/61/49/587936149.db2.gz YDXTWMFSLHUHNI-NSHDSACASA-N 1 1 240.734 1.873 20 10 BDCDMO C[C@@H](C[NH3+])C[NH2+]Cc1c([O-])cccc1Cl ZINC000841049159 587939813 /nfs/dbraw/zinc/93/98/13/587939813.db2.gz NRUSLVXXYPEHME-QMMMGPOBSA-N 1 1 228.723 1.730 20 10 BDCDMO C[C@@H](CC[NH3+])[NH2+]Cc1c([O-])cccc1Cl ZINC000841052451 587940283 /nfs/dbraw/zinc/94/02/83/587940283.db2.gz XCYCCKJCYKHKGJ-QMMMGPOBSA-N 1 1 228.723 1.873 20 10 BDCDMO [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048364 588076270 /nfs/dbraw/zinc/07/62/70/588076270.db2.gz MCUKPSGZWIGNTN-VIFPVBQESA-N 1 1 224.279 1.312 20 10 BDCDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058754 588078214 /nfs/dbraw/zinc/07/82/14/588078214.db2.gz XNTFKSGCMNVVJB-NXEZZACHSA-N 1 1 238.306 1.700 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000848905980 588418900 /nfs/dbraw/zinc/41/89/00/588418900.db2.gz OTRSUNDXEVTQFS-ZWNOBZJWSA-N 1 1 235.327 1.910 20 10 BDCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000848915615 588420216 /nfs/dbraw/zinc/42/02/16/588420216.db2.gz KNJFUGRVAFCGPP-GFCCVEGCSA-N 1 1 248.326 1.404 20 10 BDCDMO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)c2ncnn21 ZINC000850351403 588537777 /nfs/dbraw/zinc/53/77/77/588537777.db2.gz BBDIJANFLKHPJE-ONGXEEELSA-N 1 1 244.298 1.779 20 10 BDCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)c2ncnn21 ZINC000850351402 588538100 /nfs/dbraw/zinc/53/81/00/588538100.db2.gz BBDIJANFLKHPJE-MWLCHTKSSA-N 1 1 244.298 1.779 20 10 BDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(C)cc1O ZINC000876685796 590230241 /nfs/dbraw/zinc/23/02/41/590230241.db2.gz VPHHIYGROSMNRF-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c(O)c1 ZINC000877493069 590339591 /nfs/dbraw/zinc/33/95/91/590339591.db2.gz DAESLCHYQHCJNK-CQSZACIVSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1ccc(C[N@@H+](C)CCCO)c(O)c1 ZINC000877498247 590341274 /nfs/dbraw/zinc/34/12/74/590341274.db2.gz AESNRYTYYFPVOH-UHFFFAOYSA-N 1 1 209.289 1.515 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC000877568095 590361999 /nfs/dbraw/zinc/36/19/99/590361999.db2.gz XKFKPGYBFXNBCC-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC000877568095 590362002 /nfs/dbraw/zinc/36/20/02/590362002.db2.gz XKFKPGYBFXNBCC-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO CCOc1cccc(C[NH+]2CC(C)(O)C2)c1O ZINC000877581287 590365798 /nfs/dbraw/zinc/36/57/98/590365798.db2.gz VAXZMIOSBALMFW-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000877588033 590369426 /nfs/dbraw/zinc/36/94/26/590369426.db2.gz VDGGKMYDDRRWPZ-LLVKDONJSA-N 1 1 239.290 1.871 20 10 BDCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877596601 590370087 /nfs/dbraw/zinc/37/00/87/590370087.db2.gz UWENRDFQRUHZST-NSHDSACASA-N 1 1 248.326 1.269 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCc2n[nH]cc2C1 ZINC000877648078 590384070 /nfs/dbraw/zinc/38/40/70/590384070.db2.gz CIXCZZVOGYZSET-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000883150643 591553246 /nfs/dbraw/zinc/55/32/46/591553246.db2.gz OVLYBUCVSMMTKP-NXEZZACHSA-N 1 1 229.226 1.283 20 10 BDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN)cc1 ZINC000131377443 591605960 /nfs/dbraw/zinc/60/59/60/591605960.db2.gz NNMLTIGJXBQIBN-CQSZACIVSA-N 1 1 233.359 1.676 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CN)cc1 ZINC000131377443 591605962 /nfs/dbraw/zinc/60/59/62/591605962.db2.gz NNMLTIGJXBQIBN-CQSZACIVSA-N 1 1 233.359 1.676 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1c(O)cccc1F ZINC000886522914 592244411 /nfs/dbraw/zinc/24/44/11/592244411.db2.gz SYBPNBJNWVTUBA-VHSXEESVSA-N 1 1 238.306 1.886 20 10 BDCDMO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886543171 592255843 /nfs/dbraw/zinc/25/58/43/592255843.db2.gz LIVPPSBYLVVUBP-YUMQZZPRSA-N 1 1 240.278 1.446 20 10 BDCDMO COC[C@@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886607304 592274260 /nfs/dbraw/zinc/27/42/60/592274260.db2.gz OZQMYZNOVADCFP-BDAKNGLRSA-N 1 1 243.278 1.189 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCNC1=O)c1c(O)cccc1F ZINC000886634377 592284425 /nfs/dbraw/zinc/28/44/25/592284425.db2.gz COMVSQBMTUDGFS-APPZFPTMSA-N 1 1 238.262 1.070 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000300046287 592500965 /nfs/dbraw/zinc/50/09/65/592500965.db2.gz SPGDHDXYOKFEFO-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO C[C@]1(C[NH3+])CCN(Cc2cc(F)ccc2O)C1 ZINC000310379966 632734493 /nfs/dbraw/zinc/73/44/93/632734493.db2.gz PIBZKIIYWGNPCA-CYBMUJFWSA-N 1 1 238.306 1.702 20 10 BDCDMO CCC[N@@H+](CC(N)=O)Cc1cc(F)ccc1O ZINC000310446747 632741743 /nfs/dbraw/zinc/74/17/43/632741743.db2.gz UOJDMLJFYCYGNX-UHFFFAOYSA-N 1 1 240.278 1.229 20 10 BDCDMO [NH3+][C@@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000309379692 632993965 /nfs/dbraw/zinc/99/39/65/632993965.db2.gz RISQPMGNWVLGIX-SECBINFHSA-N 1 1 226.707 1.579 20 10 BDCDMO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000164591858 633079508 /nfs/dbraw/zinc/07/95/08/633079508.db2.gz MEPHCRUXWUFPQY-RKDXNWHRSA-N 1 1 227.279 1.780 20 10 BDCDMO CN(C)c1ccc(/C=C\C[NH2+]CC2(N)CC2)cc1 ZINC000904445567 637413438 /nfs/dbraw/zinc/41/34/38/637413438.db2.gz XBKPJHMOVJWSFU-ARJAWSKDSA-N 1 1 245.370 1.847 20 10 BDCDMO COc1ccc(C[NH2+]Cc2cc(C)on2)c(O)c1 ZINC000044693331 640451104 /nfs/dbraw/zinc/45/11/04/640451104.db2.gz ZCVWHBVBAHHFOR-UHFFFAOYSA-N 1 1 248.282 1.987 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000180197270 642777991 /nfs/dbraw/zinc/77/79/91/642777991.db2.gz WXFZNDAYUURPRP-CYBMUJFWSA-N 1 1 221.300 1.657 20 10 BDCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@H]1CCOC1 ZINC000180242095 642781388 /nfs/dbraw/zinc/78/13/88/642781388.db2.gz FPOAFWPJMYACFK-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000193999373 643144619 /nfs/dbraw/zinc/14/46/19/643144619.db2.gz SYKIFHYGGKWSGA-UHFFFAOYSA-N 1 1 235.283 1.963 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160305067 643441955 /nfs/dbraw/zinc/44/19/55/643441955.db2.gz ZXVDSCCMKHVKGG-ZDUSSCGKSA-N 1 1 247.342 1.202 20 10 BDCDMO Cc1[nH+]ccn1CC(=O)NCc1ccccc1O ZINC000857472381 645569400 /nfs/dbraw/zinc/56/94/00/645569400.db2.gz RZGGEVZBDZPTRE-UHFFFAOYSA-N 1 1 245.282 1.214 20 10 BDCDMO C[C@@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000928435700 645754586 /nfs/dbraw/zinc/75/45/86/645754586.db2.gz MXSBQHCXUCPTDV-APPZFPTMSA-N 1 1 240.328 1.276 20 10 BDCDMO C[C@@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@H+]1C ZINC000928435700 645754592 /nfs/dbraw/zinc/75/45/92/645754592.db2.gz MXSBQHCXUCPTDV-APPZFPTMSA-N 1 1 240.328 1.276 20 10 BDCDMO COC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708435954 712194898 /nfs/dbraw/zinc/19/48/98/712194898.db2.gz HCLKVYQSAYWRNR-SSDOTTSWSA-N 1 1 231.242 1.795 20 10 BDCDMO CC[C@H](O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487590 712210969 /nfs/dbraw/zinc/21/09/69/712210969.db2.gz ZEXHMHADTWTGMR-JTQLQIEISA-N 1 1 245.269 1.921 20 10 BDCDMO CC(C)[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708487468 712211102 /nfs/dbraw/zinc/21/11/02/712211102.db2.gz XZPQSUMLOSSKBW-NSHDSACASA-N 1 1 245.269 1.777 20 10 BDCDMO OC[C@@H]([NH2+]Cc1cccc(F)c1O)C1CCC1 ZINC000717627568 712661723 /nfs/dbraw/zinc/66/17/23/712661723.db2.gz XOPDOGKIFDTCRQ-GFCCVEGCSA-N 1 1 239.290 1.782 20 10 BDCDMO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(F)cc1O ZINC000720951344 712882435 /nfs/dbraw/zinc/88/24/35/712882435.db2.gz LHYPEMZTFMPBCY-QXEWZRGKSA-N 1 1 239.290 1.953 20 10 BDCDMO C[N@@H+](Cc1ccc(O)cc1O)[C@H]1CCOC1 ZINC001204279087 966958746 /nfs/dbraw/zinc/95/87/46/966958746.db2.gz QBIFUIVYFIQJTQ-JTQLQIEISA-N 1 1 223.272 1.319 20 10 BDCDMO CN(C)CC[N@H+]1CCc2cccc(O)c2C1 ZINC001208129429 969023662 /nfs/dbraw/zinc/02/36/62/969023662.db2.gz VWZQZDVREZLFMR-UHFFFAOYSA-N 1 1 220.316 1.312 20 10 BDCDMO C[NH+](C)CCN1CCc2cccc(O)c2C1 ZINC001208129429 969023673 /nfs/dbraw/zinc/02/36/73/969023673.db2.gz VWZQZDVREZLFMR-UHFFFAOYSA-N 1 1 220.316 1.312 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001236028370 979324375 /nfs/dbraw/zinc/32/43/75/979324375.db2.gz POCUVJGAJRJDBO-ZWNOBZJWSA-N 1 1 218.300 1.234 20 10 BDCDMO C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001345100669 980548243 /nfs/dbraw/zinc/54/82/43/980548243.db2.gz USKRMWJVLVMJTR-SECBINFHSA-N 1 1 242.750 1.991 20 10 BDCDMO C[C@@H]1C[C@H](NCc2cccc(O)c2O)CC[NH2+]1 ZINC001246318809 972278437 /nfs/dbraw/zinc/27/84/37/972278437.db2.gz VPWNLZVHHMEKLI-MWLCHTKSSA-N 1 1 236.315 1.328 20 10 BDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H](F)C1)OCO2 ZINC000689857751 959345414 /nfs/dbraw/zinc/34/54/14/959345414.db2.gz GAUOXBXHELNZRN-VIFPVBQESA-N 1 1 239.246 1.665 20 10 BDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](F)C1)OCO2 ZINC000689857751 959345434 /nfs/dbraw/zinc/34/54/34/959345434.db2.gz GAUOXBXHELNZRN-VIFPVBQESA-N 1 1 239.246 1.665 20 10 BDCDMO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747719 959793638 /nfs/dbraw/zinc/79/36/38/959793638.db2.gz JKXXKEUGQGRVDU-NSHDSACASA-N 1 1 249.310 1.817 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC(=O)NC[C@H]2C)c1 ZINC001140622975 960465541 /nfs/dbraw/zinc/46/55/41/960465541.db2.gz JNZXLWXBLYYWGH-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC(=O)NC[C@H]2C)c1 ZINC001140622975 960465548 /nfs/dbraw/zinc/46/55/48/960465548.db2.gz JNZXLWXBLYYWGH-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC001140622728 960466268 /nfs/dbraw/zinc/46/62/68/960466268.db2.gz DNFWGVYJBKGGTL-GXTWGEPZSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(O)c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC001140622728 960466276 /nfs/dbraw/zinc/46/62/76/960466276.db2.gz DNFWGVYJBKGGTL-GXTWGEPZSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(O)c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC001140622728 960466284 /nfs/dbraw/zinc/46/62/84/960466284.db2.gz DNFWGVYJBKGGTL-GXTWGEPZSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2CC(N3CCCC3)C2)c1 ZINC001140620983 960466810 /nfs/dbraw/zinc/46/68/10/960466810.db2.gz JUIPRRCHEVVDMU-UHFFFAOYSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2CCOC[C@@H]2C)c1O ZINC001140742683 960546072 /nfs/dbraw/zinc/54/60/72/960546072.db2.gz VEKDJCODHLUPRB-VIFPVBQESA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2CCOC[C@@H]2C)c1O ZINC001140742683 960546080 /nfs/dbraw/zinc/54/60/80/960546080.db2.gz VEKDJCODHLUPRB-VIFPVBQESA-N 1 1 237.299 1.627 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1F ZINC001140947848 960747007 /nfs/dbraw/zinc/74/70/07/960747007.db2.gz IIMXCEOSTLEVGD-WCQYABFASA-N 1 1 239.290 1.869 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001140950657 960753816 /nfs/dbraw/zinc/75/38/16/960753816.db2.gz AQTXDBCOLHCLMD-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C2)c(O)c1 ZINC001140950657 960753829 /nfs/dbraw/zinc/75/38/29/960753829.db2.gz AQTXDBCOLHCLMD-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C2)c(O)c1 ZINC001140950657 960753846 /nfs/dbraw/zinc/75/38/46/960753846.db2.gz AQTXDBCOLHCLMD-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](O)C3)ccc21 ZINC001141140486 960887586 /nfs/dbraw/zinc/88/75/86/960887586.db2.gz MVDLHXWSJWURPS-GFCCVEGCSA-N 1 1 248.326 1.082 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141156287 960890095 /nfs/dbraw/zinc/89/00/95/960890095.db2.gz IZIGNHJZFCSLCJ-SECBINFHSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCO1 ZINC001141156287 960890097 /nfs/dbraw/zinc/89/00/97/960890097.db2.gz IZIGNHJZFCSLCJ-SECBINFHSA-N 1 1 223.272 1.319 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141155957 960891946 /nfs/dbraw/zinc/89/19/46/960891946.db2.gz BYCKLTWVXBRZGE-JTQLQIEISA-N 1 1 237.299 1.709 20 10 BDCDMO C[C@H]1C[NH+](Cc2cc(O)ccc2O)C[C@H](C)O1 ZINC001141155625 960892303 /nfs/dbraw/zinc/89/23/03/960892303.db2.gz BOKQRJZUVKBKGY-UWVGGRQHSA-N 1 1 237.299 1.707 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC001141156474 960892410 /nfs/dbraw/zinc/89/24/10/960892410.db2.gz LTYNAJYBTXVXAD-LLVKDONJSA-N 1 1 237.299 1.445 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCn3cccc3C2)c1 ZINC001141158769 960894982 /nfs/dbraw/zinc/89/49/82/960894982.db2.gz MVMJJKNLERDSNK-UHFFFAOYSA-N 1 1 244.294 1.915 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CCn3cccc3C2)c1 ZINC001141158769 960894983 /nfs/dbraw/zinc/89/49/83/960894983.db2.gz MVMJJKNLERDSNK-UHFFFAOYSA-N 1 1 244.294 1.915 20 10 BDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(O)ccc1O ZINC001141162760 960903969 /nfs/dbraw/zinc/90/39/69/960903969.db2.gz CIORTZWLRSQOCJ-RYUDHWBXSA-N 1 1 248.326 1.376 20 10 BDCDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(O)ccc1O ZINC001141162760 960903995 /nfs/dbraw/zinc/90/39/95/960903995.db2.gz CIORTZWLRSQOCJ-RYUDHWBXSA-N 1 1 248.326 1.376 20 10 BDCDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(O)ccc1O ZINC001141162760 960904009 /nfs/dbraw/zinc/90/40/09/960904009.db2.gz CIORTZWLRSQOCJ-RYUDHWBXSA-N 1 1 248.326 1.376 20 10 BDCDMO C[C@@]1([NH3+])CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001204783085 963546376 /nfs/dbraw/zinc/54/63/76/963546376.db2.gz OJDGQXHZIZDDFT-GFCCVEGCSA-N 1 1 242.269 1.594 20 10 BDCDMO COc1cc(O)c(C[N@@H+](C)CCO)c(Cl)c1 ZINC001236255330 966322557 /nfs/dbraw/zinc/32/25/57/966322557.db2.gz CKXFKXNCTZKKFG-UHFFFAOYSA-N 1 1 245.706 1.478 20 10 BDCDMO Oc1cc(F)cc(F)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236290103 966344590 /nfs/dbraw/zinc/34/45/90/966344590.db2.gz RQFNOLDYMLEZQX-WRWORJQWSA-N 1 1 240.253 1.074 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)CC[C@@H]1O ZINC001203550487 966683481 /nfs/dbraw/zinc/68/34/81/966683481.db2.gz VYJGEAUFQZLHCU-YPMHNXCESA-N 1 1 235.327 1.985 20 10 BDCDMO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1O ZINC001203555759 966689128 /nfs/dbraw/zinc/68/91/28/966689128.db2.gz HMTFVSJEOJRUCL-RYUDHWBXSA-N 1 1 218.300 1.281 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCOC2(CC2)C1 ZINC001203560844 966689619 /nfs/dbraw/zinc/68/96/19/966689619.db2.gz HQKYJCURQCAKCZ-UHFFFAOYSA-N 1 1 219.284 1.757 20 10 BDCDMO O=C1C[N@H+](Cc2ccccc2O)C[C@@H]2CCCN12 ZINC001203555728 966691988 /nfs/dbraw/zinc/69/19/88/966691988.db2.gz FSZGPTLJQZLHTB-LBPRGKRZSA-N 1 1 246.310 1.199 20 10 BDCDMO O=C1C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCN12 ZINC001203555728 966691995 /nfs/dbraw/zinc/69/19/95/966691995.db2.gz FSZGPTLJQZLHTB-LBPRGKRZSA-N 1 1 246.310 1.199 20 10 BDCDMO CC[N@@H+](Cc1ccccc1O)C1CN(C)C1 ZINC001203561418 966693174 /nfs/dbraw/zinc/69/31/74/966693174.db2.gz VQZCGFFUYBMZAB-UHFFFAOYSA-N 1 1 220.316 1.528 20 10 BDCDMO COc1cccc(C[N@H+](C)C2COC2)c1O ZINC001203595775 966701300 /nfs/dbraw/zinc/70/13/00/966701300.db2.gz LGLQQUJSIVEJCK-UHFFFAOYSA-N 1 1 223.272 1.231 20 10 BDCDMO 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Cc1cccc(C[N@H+](C)CC(=O)N(C)C)c1O ZINC000124517413 179064024 /nfs/dbraw/zinc/06/40/24/179064024.db2.gz HZENKSQVNCXNFF-UHFFFAOYSA-N 1 1 236.315 1.221 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@H](C)CO)c1O ZINC000289488547 179069348 /nfs/dbraw/zinc/06/93/48/179069348.db2.gz RJAXZRIMQPSCPA-SNVBAGLBSA-N 1 1 209.289 1.513 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000179920681 179077088 /nfs/dbraw/zinc/07/70/88/179077088.db2.gz SNWZCCFIPYJOHV-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000179920681 179077090 /nfs/dbraw/zinc/07/70/90/179077090.db2.gz SNWZCCFIPYJOHV-JTQLQIEISA-N 1 1 234.299 1.021 20 10 BDCDMO CC1(C)C[N@@H+](Cc2ccccc2O)CC[C@H]1O ZINC000275838243 351606393 /nfs/dbraw/zinc/60/63/93/351606393.db2.gz GNNPGQXEHTXDGN-CYBMUJFWSA-N 1 1 235.327 1.985 20 10 BDCDMO CC(C)[N@@H+](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236649082 188367063 /nfs/dbraw/zinc/36/70/63/188367063.db2.gz FZYNYMJKCHVPFH-UHFFFAOYSA-N 1 1 249.358 1.268 20 10 BDCDMO CCN(CC)c1ccc(C[N@H+](C)CC(N)=O)cc1 ZINC000265961475 188371583 /nfs/dbraw/zinc/37/15/83/188371583.db2.gz QLPYOCUPZYHKTD-UHFFFAOYSA-N 1 1 249.358 1.450 20 10 BDCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(N)=O)cc1 ZINC000265961475 188371586 /nfs/dbraw/zinc/37/15/86/188371586.db2.gz QLPYOCUPZYHKTD-UHFFFAOYSA-N 1 1 249.358 1.450 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC000191661170 357782012 /nfs/dbraw/zinc/78/20/12/357782012.db2.gz AGVVGVPTWLRRSG-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO OC[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000295087690 183125699 /nfs/dbraw/zinc/12/56/99/183125699.db2.gz REUBNGDFELZEOU-KOLCDFICSA-N 1 1 239.290 1.782 20 10 BDCDMO OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000183244107 183151263 /nfs/dbraw/zinc/15/12/63/183151263.db2.gz CGXZDIJNOKCLCH-JTQLQIEISA-N 1 1 239.290 1.736 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@H](O)C1CC1 ZINC000165164202 183255075 /nfs/dbraw/zinc/25/50/75/183255075.db2.gz IIXFZOUOYXDSRM-NSHDSACASA-N 1 1 225.263 1.392 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000132474354 384230719 /nfs/dbraw/zinc/23/07/19/384230719.db2.gz IBXBRVKJTCOOEO-NSHDSACASA-N 1 1 221.300 1.921 20 10 BDCDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000134735178 384383887 /nfs/dbraw/zinc/38/38/87/384383887.db2.gz AKKCRFDCTQIEJJ-MNOVXSKESA-N 1 1 221.300 1.595 20 10 BDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](O)C2)c1O ZINC000271052319 384704441 /nfs/dbraw/zinc/70/44/41/384704441.db2.gz WTPPUTDCTZVLHR-LLVKDONJSA-N 1 1 237.299 1.358 20 10 BDCDMO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000179886644 385497508 /nfs/dbraw/zinc/49/75/08/385497508.db2.gz SEIYJTAIKPKSKW-UHFFFAOYSA-N 1 1 240.278 1.051 20 10 BDCDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180185825 385511239 /nfs/dbraw/zinc/51/12/39/385511239.db2.gz PLQIKNHCYYPJTE-CYBMUJFWSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180185811 385511981 /nfs/dbraw/zinc/51/19/81/385511981.db2.gz PLQIKNHCYYPJTE-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC000272236629 385885744 /nfs/dbraw/zinc/88/57/44/385885744.db2.gz ACBQUIQOPLKFSW-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1O ZINC000272236629 385885746 /nfs/dbraw/zinc/88/57/46/385885746.db2.gz ACBQUIQOPLKFSW-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272563939 385912225 /nfs/dbraw/zinc/91/22/25/385912225.db2.gz UPMMXWOCEMFTKH-NXEZZACHSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272563939 385912230 /nfs/dbraw/zinc/91/22/30/385912230.db2.gz UPMMXWOCEMFTKH-NXEZZACHSA-N 1 1 239.290 1.734 20 10 BDCDMO COC[C@H](C[NH2+]Cc1cccc(F)c1O)OC ZINC000227717422 386507574 /nfs/dbraw/zinc/50/75/74/386507574.db2.gz DVDVVLLHKOVCRP-JTQLQIEISA-N 1 1 243.278 1.282 20 10 BDCDMO CC[C@H](CO)[N@@H+](C)Cc1cccc(OC)c1O ZINC000294666755 386684276 /nfs/dbraw/zinc/68/42/76/386684276.db2.gz AGKDHZDCNUULQL-LLVKDONJSA-N 1 1 239.315 1.604 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1ccccc1O ZINC000293729660 386868387 /nfs/dbraw/zinc/86/83/87/386868387.db2.gz URZOQRPYFPHVGE-NSHDSACASA-N 1 1 207.273 1.613 20 10 BDCDMO CN(C)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000290093068 387370630 /nfs/dbraw/zinc/37/06/30/387370630.db2.gz JSUBBYJELROQMJ-UHFFFAOYSA-N 1 1 245.330 1.171 20 10 BDCDMO CN(C)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296126486 388418593 /nfs/dbraw/zinc/41/85/93/388418593.db2.gz VPBFAMLFJOBPJI-LBPRGKRZSA-N 1 1 234.343 1.921 20 10 BDCDMO CCNC(=O)C[N@@H+](CC)Cc1ccccc1O ZINC000133614385 170057474 /nfs/dbraw/zinc/05/74/74/170057474.db2.gz PFUYACNEXGUTTK-UHFFFAOYSA-N 1 1 236.315 1.350 20 10 BDCDMO CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273412758 170158847 /nfs/dbraw/zinc/15/88/47/170158847.db2.gz QAVOVMQYQHJRCN-MRVPVSSYSA-N 1 1 223.272 1.849 20 10 BDCDMO COCC[N@@H+](C)Cc1cccc(C)c1O ZINC000162808642 174280162 /nfs/dbraw/zinc/28/01/62/174280162.db2.gz NYLUMCACNIPGEX-UHFFFAOYSA-N 1 1 209.289 1.779 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000180634287 175158244 /nfs/dbraw/zinc/15/82/44/175158244.db2.gz IOLBFYOOOUCRDW-CYBMUJFWSA-N 1 1 237.299 1.358 20 10 BDCDMO COc1cccc(C[N@@H+](CCO)C(C)C)c1O ZINC000271052211 175256753 /nfs/dbraw/zinc/25/67/53/175256753.db2.gz WTJJDIBZSMYWDX-UHFFFAOYSA-N 1 1 239.315 1.604 20 10 BDCDMO C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000128522380 177292623 /nfs/dbraw/zinc/29/26/23/177292623.db2.gz NETLLESPOXMQHK-LBPRGKRZSA-N 1 1 234.343 1.973 20 10 BDCDMO C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000128522380 177292625 /nfs/dbraw/zinc/29/26/25/177292625.db2.gz NETLLESPOXMQHK-LBPRGKRZSA-N 1 1 234.343 1.973 20 10 BDCDMO COCC[C@H](CO)[NH2+]Cc1cccc(F)c1O ZINC000281404542 491120573 /nfs/dbraw/zinc/12/05/73/491120573.db2.gz XSWPKDSNXQOLGK-SNVBAGLBSA-N 1 1 243.278 1.018 20 10 BDCDMO CN1CCN(c2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000034823186 536421135 /nfs/dbraw/zinc/42/11/35/536421135.db2.gz KMLXSUDYVWLDNK-UHFFFAOYSA-N 1 1 245.370 1.690 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CO ZINC000857061319 588884911 /nfs/dbraw/zinc/88/49/11/588884911.db2.gz OIGGLOUYIHGJDY-DGCLKSJQSA-N 1 1 235.327 1.843 20 10 BDCDMO OC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893985817 583269102 /nfs/dbraw/zinc/26/91/02/583269102.db2.gz HOWZSQBZHDVHRB-QMMMGPOBSA-N 1 1 243.253 1.485 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893985817 583269104 /nfs/dbraw/zinc/26/91/04/583269104.db2.gz HOWZSQBZHDVHRB-QMMMGPOBSA-N 1 1 243.253 1.485 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894771227 583516759 /nfs/dbraw/zinc/51/67/59/583516759.db2.gz ZNFXQLOQFKEUMF-SSDOTTSWSA-N 1 1 231.242 1.483 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894771227 583516762 /nfs/dbraw/zinc/51/67/62/583516762.db2.gz ZNFXQLOQFKEUMF-SSDOTTSWSA-N 1 1 231.242 1.483 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895656476 583701915 /nfs/dbraw/zinc/70/19/15/583701915.db2.gz YXAYCCFEAZUCEM-ZFWWWQNUSA-N 1 1 246.354 1.628 20 10 BDCDMO CO[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000895968197 583754612 /nfs/dbraw/zinc/75/46/12/583754612.db2.gz JLVXSDAOQPGYRC-LBPRGKRZSA-N 1 1 237.299 1.505 20 10 BDCDMO CO[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000895968197 583754614 /nfs/dbraw/zinc/75/46/14/583754614.db2.gz JLVXSDAOQPGYRC-LBPRGKRZSA-N 1 1 237.299 1.505 20 10 BDCDMO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CO1 ZINC000896637133 583819433 /nfs/dbraw/zinc/81/94/33/583819433.db2.gz IBZFBIHRLWRWGX-BDAKNGLRSA-N 1 1 225.263 1.798 20 10 BDCDMO C[C@H]1OCC[C@H]1[NH2+]Cc1c(O)cccc1F ZINC000896638506 583819708 /nfs/dbraw/zinc/81/97/08/583819708.db2.gz VLCSYLSFEQWZPQ-LDYMZIIASA-N 1 1 225.263 1.798 20 10 BDCDMO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1O ZINC000897675629 584035472 /nfs/dbraw/zinc/03/54/72/584035472.db2.gz AXLIZIICRFTAPO-WRWORJQWSA-N 1 1 243.253 1.483 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1O ZINC000897675629 584035473 /nfs/dbraw/zinc/03/54/73/584035473.db2.gz AXLIZIICRFTAPO-WRWORJQWSA-N 1 1 243.253 1.483 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897680530 584037802 /nfs/dbraw/zinc/03/78/02/584037802.db2.gz SGAMOMRIGLTCBV-MFKMUULPSA-N 1 1 235.327 1.767 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898188127 584094492 /nfs/dbraw/zinc/09/44/92/584094492.db2.gz KGDUNVCQJLOXQC-YPMHNXCESA-N 1 1 239.290 1.605 20 10 BDCDMO NC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000841052405 584125358 /nfs/dbraw/zinc/12/53/58/584125358.db2.gz VETXBQLPUFMJNP-UHFFFAOYSA-N 1 1 206.289 1.363 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N)CC2)c1 ZINC000902408161 584574733 /nfs/dbraw/zinc/57/47/33/584574733.db2.gz XHPHONPOFUZVBG-SNVBAGLBSA-N 1 1 220.316 1.843 20 10 BDCDMO COc1cc(C)cc(C[NH+]2CC(OC)C2)c1O ZINC000754741643 585290277 /nfs/dbraw/zinc/29/02/77/585290277.db2.gz MGFITZHJKFAOSP-UHFFFAOYSA-N 1 1 237.299 1.540 20 10 BDCDMO Cc1cccc(C[N@H+](C)C2CC(O)C2)c1O ZINC000761223838 585412358 /nfs/dbraw/zinc/41/23/58/585412358.db2.gz SIRIJEDPBUMKIJ-UHFFFAOYSA-N 1 1 221.300 1.656 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)CC(C)(C)O ZINC000769425831 585555873 /nfs/dbraw/zinc/55/58/73/585555873.db2.gz XAIFPWPKALYMKJ-UHFFFAOYSA-N 1 1 239.315 1.604 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000773749407 585643137 /nfs/dbraw/zinc/64/31/37/585643137.db2.gz VWPBXWLZVZHJQJ-AWEZNQCLSA-N 1 1 234.343 1.709 20 10 BDCDMO C[C@H](O)C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000776521537 585699981 /nfs/dbraw/zinc/69/99/81/585699981.db2.gz SAKXSUDSCYASGQ-JTQLQIEISA-N 1 1 240.322 1.704 20 10 BDCDMO CCOCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000779598467 585756707 /nfs/dbraw/zinc/75/67/07/585756707.db2.gz JMUSCGMVFALFGA-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000840131794 586468469 /nfs/dbraw/zinc/46/84/69/586468469.db2.gz CVUVXXCDIHOLBS-NSHDSACASA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000840131794 586468471 /nfs/dbraw/zinc/46/84/71/586468471.db2.gz CVUVXXCDIHOLBS-NSHDSACASA-N 1 1 248.326 1.329 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)C1CC1 ZINC000809750929 586517283 /nfs/dbraw/zinc/51/72/83/586517283.db2.gz CAMILIZLYVBQHG-ZDUSSCGKSA-N 1 1 221.300 1.595 20 10 BDCDMO C[C@H]([NH2+][C@H]1CCCNC1)c1ccccc1O ZINC000817939747 586844070 /nfs/dbraw/zinc/84/40/70/586844070.db2.gz BMYSOVIDKKVCGA-QWRGUYRKSA-N 1 1 220.316 1.795 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCCNC1)c1ccccc1O ZINC000817939745 586844903 /nfs/dbraw/zinc/84/49/03/586844903.db2.gz BMYSOVIDKKVCGA-MNOVXSKESA-N 1 1 220.316 1.795 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCCNC1)c1cc(F)ccc1O ZINC000817940481 586845427 /nfs/dbraw/zinc/84/54/27/586845427.db2.gz ICLBGZVTQSBFHF-MWLCHTKSSA-N 1 1 238.306 1.934 20 10 BDCDMO C[NH2+]CCN[C@@H](C)c1cc(F)cc(F)c1O ZINC000817953200 586846644 /nfs/dbraw/zinc/84/66/44/586846644.db2.gz WWQAKSGXIQXFOQ-ZETCQYMHSA-N 1 1 230.258 1.540 20 10 BDCDMO CCNCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817951611 586847517 /nfs/dbraw/zinc/84/75/17/586847517.db2.gz HIDRLLHWRJWMBD-NSHDSACASA-N 1 1 222.332 1.961 20 10 BDCDMO Oc1cccc2c1[C@@H]([NH2+]CCNC1CC1)CC2 ZINC000817952560 586848063 /nfs/dbraw/zinc/84/80/63/586848063.db2.gz FVXXUNYWHXQZHR-LBPRGKRZSA-N 1 1 232.327 1.721 20 10 BDCDMO CC[C@H]([NH2+]CCNC)c1ccc(C)cc1O ZINC000817953290 586848860 /nfs/dbraw/zinc/84/88/60/586848860.db2.gz YUFDFXMVLAVGMP-LBPRGKRZSA-N 1 1 222.332 1.961 20 10 BDCDMO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1O ZINC000817964726 586853909 /nfs/dbraw/zinc/85/39/09/586853909.db2.gz GJAJFKWPQPJNHI-BXKDBHETSA-N 1 1 220.316 1.780 20 10 BDCDMO Cc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978155 586861141 /nfs/dbraw/zinc/86/11/41/586861141.db2.gz XJKCRGBUGYGNOD-PQFRYHKHSA-N 1 1 232.327 1.569 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](C)N ZINC000817978194 586861666 /nfs/dbraw/zinc/86/16/66/586861666.db2.gz YGOVDJQJUIHOOZ-AEJSXWLSSA-N 1 1 208.305 1.779 20 10 BDCDMO Cc1cc(C)c([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817978092 586861699 /nfs/dbraw/zinc/86/16/99/586861699.db2.gz VTXAHTMJVUGNRM-UUIJZJDISA-N 1 1 246.354 1.877 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978156 586862153 /nfs/dbraw/zinc/86/21/53/586862153.db2.gz XJKCRGBUGYGNOD-WUWHUORYSA-N 1 1 232.327 1.569 20 10 BDCDMO C[N@@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000821390767 587115873 /nfs/dbraw/zinc/11/58/73/587115873.db2.gz DTYUVEKIVGIIAV-UHFFFAOYSA-N 1 1 232.287 1.185 20 10 BDCDMO C[N@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000821390767 587115875 /nfs/dbraw/zinc/11/58/75/587115875.db2.gz DTYUVEKIVGIIAV-UHFFFAOYSA-N 1 1 232.287 1.185 20 10 BDCDMO C[N@@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000821390767 587115877 /nfs/dbraw/zinc/11/58/77/587115877.db2.gz DTYUVEKIVGIIAV-UHFFFAOYSA-N 1 1 232.287 1.185 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+](C1CC1)C1COC1 ZINC000824471429 587271470 /nfs/dbraw/zinc/27/14/70/587271470.db2.gz BJCNKTQNNBTLKL-UHFFFAOYSA-N 1 1 237.274 1.895 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+](C1CC1)C1COC1 ZINC000824471429 587271471 /nfs/dbraw/zinc/27/14/71/587271471.db2.gz BJCNKTQNNBTLKL-UHFFFAOYSA-N 1 1 237.274 1.895 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000824892879 587292136 /nfs/dbraw/zinc/29/21/36/587292136.db2.gz DNFWGVYJBKGGTL-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(O)c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000824892879 587292138 /nfs/dbraw/zinc/29/21/38/587292138.db2.gz DNFWGVYJBKGGTL-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1ccc(O)c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000824892879 587292139 /nfs/dbraw/zinc/29/21/39/587292139.db2.gz DNFWGVYJBKGGTL-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827291469 587375464 /nfs/dbraw/zinc/37/54/64/587375464.db2.gz LJTKQBSCILSQOY-DZGCQCFKSA-N 1 1 247.338 1.911 20 10 BDCDMO CCc1cccc(C[N@@H+](C)C2(CO)CC2)c1O ZINC000827898236 587408371 /nfs/dbraw/zinc/40/83/71/587408371.db2.gz IABOWNREQHSFHU-UHFFFAOYSA-N 1 1 235.327 1.911 20 10 BDCDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1O ZINC000827977947 587414504 /nfs/dbraw/zinc/41/45/04/587414504.db2.gz DARVTNUONIKZOJ-CMPLNLGQSA-N 1 1 248.326 1.664 20 10 BDCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000840958743 587932551 /nfs/dbraw/zinc/93/25/51/587932551.db2.gz UKOFZNOOHIXRRG-GFCCVEGCSA-N 1 1 248.326 1.302 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H]2CCCNC2)c1 ZINC000841043051 587939042 /nfs/dbraw/zinc/93/90/42/587939042.db2.gz NLLIFEQHXKWEMN-GFCCVEGCSA-N 1 1 220.316 1.542 20 10 BDCDMO C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1O ZINC000842472457 588029492 /nfs/dbraw/zinc/02/94/92/588029492.db2.gz YLVNBKKNBKNPGS-LBPRGKRZSA-N 1 1 234.343 1.824 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN[C@@H](C)[C@@H]2C)c1O ZINC000843058278 588077927 /nfs/dbraw/zinc/07/79/27/588077927.db2.gz QSMRZGWLHWAIGT-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN[C@@H](C)[C@@H]2C)c1O ZINC000843058278 588077929 /nfs/dbraw/zinc/07/79/29/588077929.db2.gz QSMRZGWLHWAIGT-RYUDHWBXSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@H]1CNC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127137 588085107 /nfs/dbraw/zinc/08/51/07/588085107.db2.gz ZRQPHGCBKYBMQS-BXUZGUMPSA-N 1 1 233.359 1.399 20 10 BDCDMO C[C@H](CCO)[N@@H+](C)Cc1ccccc1O ZINC000846110947 588257272 /nfs/dbraw/zinc/25/72/72/588257272.db2.gz LNVLAFAKOHTMKA-SNVBAGLBSA-N 1 1 209.289 1.595 20 10 BDCDMO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(F)cc1O ZINC000846209243 588260043 /nfs/dbraw/zinc/26/00/43/588260043.db2.gz PSFJOTYKKADFFM-WPRPVWTQSA-N 1 1 245.269 1.902 20 10 BDCDMO C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000846701857 588283878 /nfs/dbraw/zinc/28/38/78/588283878.db2.gz DUANCMORAXKYFR-GXSJLCMTSA-N 1 1 238.306 1.843 20 10 BDCDMO CCc1cccc(C[N@H+]2CCCNC(=O)C2)c1O ZINC000848883303 588417292 /nfs/dbraw/zinc/41/72/92/588417292.db2.gz LWAIEMWNTKEGTQ-UHFFFAOYSA-N 1 1 248.326 1.277 20 10 BDCDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccccc1O ZINC000862386734 589206055 /nfs/dbraw/zinc/20/60/55/589206055.db2.gz BBNILDCQPWUILM-LLVKDONJSA-N 1 1 223.316 1.985 20 10 BDCDMO COc1cccc(C[NH+]2CC3(C2)CCCO3)c1O ZINC000862484455 589216817 /nfs/dbraw/zinc/21/68/17/589216817.db2.gz PHZWZCQKWXZYCE-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)NC2)c1O ZINC000863483822 589293296 /nfs/dbraw/zinc/29/32/96/589293296.db2.gz DULUZDOYRXOHSY-WCQYABFASA-N 1 1 234.343 1.931 20 10 BDCDMO C[N@@H+](CC(=O)NCc1ccccc1O)C1CCC1 ZINC000863863634 589323921 /nfs/dbraw/zinc/32/39/21/589323921.db2.gz YUMIIDOOWSLAHH-UHFFFAOYSA-N 1 1 248.326 1.493 20 10 BDCDMO Cc1nonc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000872135298 589878261 /nfs/dbraw/zinc/87/82/61/589878261.db2.gz DYSWCPKLFRMTQJ-SNVBAGLBSA-N 1 1 245.282 1.861 20 10 BDCDMO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@@H](C)N1 ZINC000019366942 589889207 /nfs/dbraw/zinc/88/92/07/589889207.db2.gz LHONBGORYCTZFI-GHMZBOCLSA-N 1 1 220.316 1.574 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872267442 589902773 /nfs/dbraw/zinc/90/27/73/589902773.db2.gz ZXASMBZCYXAMQJ-OKILXGFUSA-N 1 1 246.354 1.831 20 10 BDCDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000124557574 590050781 /nfs/dbraw/zinc/05/07/81/590050781.db2.gz KTGPYCBWHAXBNH-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](O)C1 ZINC000876528376 590208972 /nfs/dbraw/zinc/20/89/72/590208972.db2.gz WHCNWVDMYNRHMO-NSHDSACASA-N 1 1 221.300 1.657 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000876589804 590219235 /nfs/dbraw/zinc/21/92/35/590219235.db2.gz PEGNFHSLERUCNX-NSHDSACASA-N 1 1 207.273 1.267 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](CO)C1 ZINC000876660527 590227216 /nfs/dbraw/zinc/22/72/16/590227216.db2.gz UVSHJKDLXDFSOZ-NSHDSACASA-N 1 1 221.300 1.515 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@H](C)CO)c(O)c1 ZINC000877525823 590347428 /nfs/dbraw/zinc/34/74/28/590347428.db2.gz COZVQYJSKMLKPW-SNVBAGLBSA-N 1 1 209.289 1.513 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000877527729 590349468 /nfs/dbraw/zinc/34/94/68/590349468.db2.gz OFYHAAKNGPOFOY-CQSZACIVSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c(O)c1 ZINC000877532958 590350209 /nfs/dbraw/zinc/35/02/09/590350209.db2.gz XRMMGXKMOHVEOX-NSHDSACASA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000877568814 590362394 /nfs/dbraw/zinc/36/23/94/590362394.db2.gz BRDFSWXZSRUEAC-LLVKDONJSA-N 1 1 234.299 1.150 20 10 BDCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877596599 590370427 /nfs/dbraw/zinc/37/04/27/590370427.db2.gz UWENRDFQRUHZST-LLVKDONJSA-N 1 1 248.326 1.269 20 10 BDCDMO Cc1n[nH]cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703318 590395555 /nfs/dbraw/zinc/39/55/55/590395555.db2.gz BFTURNFFVSOOEV-UHFFFAOYSA-N 1 1 229.283 1.940 20 10 BDCDMO Cc1n[nH]cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703318 590395557 /nfs/dbraw/zinc/39/55/57/590395557.db2.gz BFTURNFFVSOOEV-UHFFFAOYSA-N 1 1 229.283 1.940 20 10 BDCDMO CCN1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C ZINC000211385424 591164711 /nfs/dbraw/zinc/16/47/11/591164711.db2.gz NHNRZMHLKUOKDS-LBPRGKRZSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@@H+]1CCN(Cc2ccccc2O)C[C@@H]1C ZINC000211385424 591164713 /nfs/dbraw/zinc/16/47/13/591164713.db2.gz NHNRZMHLKUOKDS-LBPRGKRZSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1C ZINC000211385424 591164714 /nfs/dbraw/zinc/16/47/14/591164714.db2.gz NHNRZMHLKUOKDS-LBPRGKRZSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@@H+](CC(=O)NC)Cc1cc(C)ccc1O ZINC000132612908 591724808 /nfs/dbraw/zinc/72/48/08/591724808.db2.gz SHDUDEIXEFUSNV-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)C[C@](C)(O)C(F)F ZINC000886064866 592142148 /nfs/dbraw/zinc/14/21/48/592142148.db2.gz KDPAYUFCLGENJN-LBPRGKRZSA-N 1 1 245.269 1.840 20 10 BDCDMO C[C@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487785 592235132 /nfs/dbraw/zinc/23/51/32/592235132.db2.gz VDUUPKHKFHSWFY-YUMQZZPRSA-N 1 1 213.252 1.563 20 10 BDCDMO C[C@@H]([NH2+]CCCCO)c1c(O)cccc1F ZINC000886601107 592271959 /nfs/dbraw/zinc/27/19/59/592271959.db2.gz JZEJGFWCZOWVEP-SECBINFHSA-N 1 1 227.279 1.954 20 10 BDCDMO COC[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886604922 592274800 /nfs/dbraw/zinc/27/48/00/592274800.db2.gz GELUGBFLSDQFBL-IUCAKERBSA-N 1 1 243.278 1.189 20 10 BDCDMO C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1CN ZINC000252219789 635640836 /nfs/dbraw/zinc/64/08/36/635640836.db2.gz YSGNHAYMMQYRNB-AAEUAGOBSA-N 1 1 234.343 1.951 20 10 BDCDMO Cc1cc(C[N@H+]2CC[C@H]2CO)ccc1N(C)C ZINC000934019358 631616056 /nfs/dbraw/zinc/61/60/56/631616056.db2.gz PLOSJVAVOXURCI-ZDUSSCGKSA-N 1 1 234.343 1.628 20 10 BDCDMO C[C@@H](CN)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000162082847 632872758 /nfs/dbraw/zinc/87/27/58/632872758.db2.gz KIPUAWUECVAZQO-JTQLQIEISA-N 1 1 207.321 1.189 20 10 BDCDMO Cc1c[nH]nc1C[NH2+]Cc1ccccc1O ZINC000309419771 633046550 /nfs/dbraw/zinc/04/65/50/633046550.db2.gz AIQWGUNJKFXZIB-UHFFFAOYSA-N 1 1 217.272 1.714 20 10 BDCDMO CCC[N@H+](CCO)Cc1cc(F)cc(F)c1O ZINC000893895549 635639119 /nfs/dbraw/zinc/63/91/19/635639119.db2.gz OPUGLXLSIIULGG-UHFFFAOYSA-N 1 1 245.269 1.875 20 10 BDCDMO CCC[N@@H+](CCO)Cc1cc(F)cc(F)c1O ZINC000893895549 635639125 /nfs/dbraw/zinc/63/91/25/635639125.db2.gz OPUGLXLSIIULGG-UHFFFAOYSA-N 1 1 245.269 1.875 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1c(O)cccc1F ZINC000927142261 637052307 /nfs/dbraw/zinc/05/23/07/637052307.db2.gz BITZESXYLVYLSK-GUBZILKMSA-N 1 1 239.290 1.953 20 10 BDCDMO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000229964453 640997541 /nfs/dbraw/zinc/99/75/41/640997541.db2.gz FMWBNHUDXHVKFK-WCBMZHEXSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC000190067260 641832301 /nfs/dbraw/zinc/83/23/01/641832301.db2.gz GNGPUJGEVDVCBG-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[N@H+](Cc1cc(F)ccc1O)CC1CC(O)C1 ZINC000191164283 641904547 /nfs/dbraw/zinc/90/45/47/641904547.db2.gz FHTSAFFATJAPKS-UHFFFAOYSA-N 1 1 239.290 1.734 20 10 BDCDMO Cc1cc(C[NH2+]Cc2ccccc2O)no1 ZINC000044692240 643547899 /nfs/dbraw/zinc/54/78/99/643547899.db2.gz WAZVZVPNHCKNHV-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1 ZINC000083117996 644400998 /nfs/dbraw/zinc/40/09/98/644400998.db2.gz QNEFQDUMHVTGAF-MNOVXSKESA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@@H](C)CN1 ZINC000083117996 644401004 /nfs/dbraw/zinc/40/10/04/644401004.db2.gz QNEFQDUMHVTGAF-MNOVXSKESA-N 1 1 220.316 1.574 20 10 BDCDMO COc1cccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000090320514 644588991 /nfs/dbraw/zinc/58/89/91/644588991.db2.gz FDVLGNMKQYNOFM-RYUDHWBXSA-N 1 1 248.326 1.052 20 10 BDCDMO CCc1cccc(C[N@@H+](C)CC2CN(C)C2)c1O ZINC000827125627 645074031 /nfs/dbraw/zinc/07/40/31/645074031.db2.gz MZUXQRYKALBJGE-UHFFFAOYSA-N 1 1 248.370 1.948 20 10 BDCDMO CC[C@H]([NH2+][C@@H]1CNOC1)c1ccc(F)cc1O ZINC000925859945 646512455 /nfs/dbraw/zinc/51/24/55/646512455.db2.gz LQCVOTSFTZAUCL-KOLCDFICSA-N 1 1 240.278 1.475 20 10 BDCDMO CC[C@H](CCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484363 712185797 /nfs/dbraw/zinc/18/57/97/712185797.db2.gz HJPPVMPZTLDUJP-SNVBAGLBSA-N 1 1 245.269 1.921 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]Cc2cocn2)c1 ZINC000381619758 710663241 /nfs/dbraw/zinc/66/32/41/710663241.db2.gz YEWUWOMADGDSQU-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO Cc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000381309955 710619921 /nfs/dbraw/zinc/61/99/21/710619921.db2.gz CSJMYALGJNEVFZ-JSGCOSHPSA-N 1 1 246.354 1.884 20 10 BDCDMO C[N@@H+](CCC(N)=O)Cc1cc(Cl)ccc1O ZINC000382223900 711615456 /nfs/dbraw/zinc/61/54/56/711615456.db2.gz WQUYTRQHIJXFEP-UHFFFAOYSA-N 1 1 242.706 1.353 20 10 BDCDMO COCC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000708401495 711957140 /nfs/dbraw/zinc/95/71/40/711957140.db2.gz UGDCDEMMGAGRAE-UHFFFAOYSA-N 1 1 231.242 1.749 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000708401495 711957141 /nfs/dbraw/zinc/95/71/41/711957141.db2.gz UGDCDEMMGAGRAE-UHFFFAOYSA-N 1 1 231.242 1.749 20 10 BDCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)(C)O ZINC000708394067 712191895 /nfs/dbraw/zinc/19/18/95/712191895.db2.gz OQDKBBPXQLANAQ-ZETCQYMHSA-N 1 1 245.269 1.919 20 10 BDCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC[C@H]1O ZINC000378670471 712357076 /nfs/dbraw/zinc/35/70/76/712357076.db2.gz CUWBCCLDSSWHKR-PSASIEDQSA-N 1 1 245.681 1.798 20 10 BDCDMO CC[N@@H+](Cc1cc(C)ccc1O)C1COC1 ZINC001140623327 960465914 /nfs/dbraw/zinc/46/59/14/960465914.db2.gz NMWLEHJEDXGTCB-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO C[C@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001334350300 976461540 /nfs/dbraw/zinc/46/15/40/976461540.db2.gz RWHBKUYTKYUIOY-LBPRGKRZSA-N 1 1 243.253 1.627 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001334350300 976461546 /nfs/dbraw/zinc/46/15/46/976461546.db2.gz RWHBKUYTKYUIOY-LBPRGKRZSA-N 1 1 243.253 1.627 20 10 BDCDMO C[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144499425 972847286 /nfs/dbraw/zinc/84/72/86/972847286.db2.gz GJCPDJIZOWDQCQ-MRVPVSSYSA-N 1 1 223.272 1.788 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001140617504 960461240 /nfs/dbraw/zinc/46/12/40/960461240.db2.gz RUXSVCZKMHJNIZ-AAEUAGOBSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(CN2CC3(C2)C[NH+](C)C3)c1 ZINC001140624136 960466708 /nfs/dbraw/zinc/46/67/08/960466708.db2.gz HOPWBJPITVIFKO-UHFFFAOYSA-N 1 1 232.327 1.448 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(O)c(C)c1O ZINC001140750981 960554586 /nfs/dbraw/zinc/55/45/86/960554586.db2.gz FSFPOKNLQWGYSK-NSHDSACASA-N 1 1 237.299 1.627 20 10 BDCDMO CC(=O)N(C)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140951108 960762709 /nfs/dbraw/zinc/76/27/09/960762709.db2.gz ZDNSYLKQNGXQMO-UHFFFAOYSA-N 1 1 248.326 1.363 20 10 BDCDMO CN(Cc1cc(O)ccc1O)[C@@H]1CC[N@@H+](C)C1 ZINC001141159241 960896950 /nfs/dbraw/zinc/89/69/50/960896950.db2.gz DJOVIDSPMSNYCU-LLVKDONJSA-N 1 1 236.315 1.234 20 10 BDCDMO CN1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2O)C1 ZINC001141159241 960896952 /nfs/dbraw/zinc/89/69/52/960896952.db2.gz DJOVIDSPMSNYCU-LLVKDONJSA-N 1 1 236.315 1.234 20 10 BDCDMO CN1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2O)C1 ZINC001141159241 960896954 /nfs/dbraw/zinc/89/69/54/960896954.db2.gz DJOVIDSPMSNYCU-LLVKDONJSA-N 1 1 236.315 1.234 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142508992 964345973 /nfs/dbraw/zinc/34/59/73/964345973.db2.gz SCCOWNDSTJFFEH-APPZFPTMSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142508992 964345980 /nfs/dbraw/zinc/34/59/80/964345980.db2.gz SCCOWNDSTJFFEH-APPZFPTMSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@]1(C)O ZINC001203550087 966679841 /nfs/dbraw/zinc/67/98/41/966679841.db2.gz HFOCLSFMOCGTNS-BXUZGUMPSA-N 1 1 235.327 1.985 20 10 BDCDMO COc1cccc(C[N@H+]2CCCC23COC3)c1O ZINC001203595972 966700602 /nfs/dbraw/zinc/70/06/02/966700602.db2.gz VSJRHSCWOKCKLM-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@@]23CCOC3)c1O ZINC001203601777 966701706 /nfs/dbraw/zinc/70/17/06/966701706.db2.gz KWASPQVBCFPABN-AWEZNQCLSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001203599579 966702731 /nfs/dbraw/zinc/70/27/31/966702731.db2.gz IXGRBFNKFCPSDJ-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1cccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c1O ZINC001203599579 966702739 /nfs/dbraw/zinc/70/27/39/966702739.db2.gz IXGRBFNKFCPSDJ-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1cccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c1O ZINC001203599579 966702750 /nfs/dbraw/zinc/70/27/50/966702750.db2.gz IXGRBFNKFCPSDJ-RYUDHWBXSA-N 1 1 248.326 1.289 20 10 BDCDMO COc1ccc(C[N@H+]2CCOCC23CC3)c(O)c1 ZINC001203634375 966714480 /nfs/dbraw/zinc/71/44/80/966714480.db2.gz BZMNJHPVVFIJRT-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1ccc(C[N@@H+]2CCOCC23CC3)c(O)c1 ZINC001203634375 966714471 /nfs/dbraw/zinc/71/44/71/966714471.db2.gz BZMNJHPVVFIJRT-UHFFFAOYSA-N 1 1 249.310 1.766 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001203671470 966733779 /nfs/dbraw/zinc/73/37/79/966733779.db2.gz PKWILWGNYNLGKU-UHFFFAOYSA-N 1 1 249.310 1.956 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCCC(=O)CC2)c1 ZINC001203671470 966733782 /nfs/dbraw/zinc/73/37/82/966733782.db2.gz PKWILWGNYNLGKU-UHFFFAOYSA-N 1 1 249.310 1.956 20 10 BDCDMO Oc1ccc(C[NH+]2CC3(CC(O)C3)C2)cc1O ZINC001203873543 966802907 /nfs/dbraw/zinc/80/29/07/966802907.db2.gz FBIWJCYNBIIGEQ-UHFFFAOYSA-N 1 1 235.283 1.055 20 10 BDCDMO Oc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC001203879648 966806521 /nfs/dbraw/zinc/80/65/21/966806521.db2.gz WIRQEKRNVSVDMK-LBPRGKRZSA-N 1 1 248.326 1.378 20 10 BDCDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875581 966806999 /nfs/dbraw/zinc/80/69/99/966806999.db2.gz QSIBKRDAWNWELC-GFCCVEGCSA-N 1 1 223.272 1.055 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276097 966951390 /nfs/dbraw/zinc/95/13/90/966951390.db2.gz GLLFPMKIAKDNBR-JOYOIKCWSA-N 1 1 237.299 1.301 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204276249 966954796 /nfs/dbraw/zinc/95/47/96/966954796.db2.gz IFVUILNYEOLYTQ-KCJUWKMLSA-N 1 1 225.263 1.888 20 10 BDCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278670 966961194 /nfs/dbraw/zinc/96/11/94/966961194.db2.gz HSIVIAIYTKDBTD-CYBMUJFWSA-N 1 1 237.299 1.445 20 10 BDCDMO Cn1cc2c(n1)CC[N@H+](Cc1ccccc1O)C2 ZINC001203556068 966971163 /nfs/dbraw/zinc/97/11/63/966971163.db2.gz JDHMQCAIFXQMOI-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO COc1cc(C[N@@H+](C)C(C)C)cc(O)c1O ZINC001204340425 966977846 /nfs/dbraw/zinc/97/78/46/966977846.db2.gz QOBHISKROXIACL-UHFFFAOYSA-N 1 1 225.288 1.947 20 10 BDCDMO CC1([NH3+])CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001204994088 967279639 /nfs/dbraw/zinc/27/96/39/967279639.db2.gz RUZUNFSQYFYNKR-UHFFFAOYSA-N 1 1 244.697 1.718 20 10 BDCDMO [NH3+][C@@H]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC001205102647 967348813 /nfs/dbraw/zinc/34/88/13/967348813.db2.gz VDBFZVHWVZSELJ-GFCCVEGCSA-N 1 1 238.306 1.845 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)C[C@H]1C[NH3+] ZINC001205135951 967382014 /nfs/dbraw/zinc/38/20/14/967382014.db2.gz JFGFRRVBXMWWGB-VHSXEESVSA-N 1 1 238.306 1.558 20 10 BDCDMO CCC[C@@H](O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001252789114 968967537 /nfs/dbraw/zinc/96/75/37/968967537.db2.gz MSCAFUWUCUFEQF-GFCCVEGCSA-N 1 1 235.327 1.911 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503766 972852038 /nfs/dbraw/zinc/85/20/38/972852038.db2.gz CGBNIWNGOIUPFW-MRVPVSSYSA-N 1 1 223.272 1.645 20 10 BDCDMO CCC([NH3+])(CC)CNCc1ccc(N)cc1 ZINC001336287266 977619280 /nfs/dbraw/zinc/61/92/80/977619280.db2.gz ZXTSOSFBTPLXHE-UHFFFAOYSA-N 1 1 221.348 1.876 20 10 BDCDMO Nc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001336287253 977619578 /nfs/dbraw/zinc/61/95/78/977619578.db2.gz ZLXCWXROESTOCC-LLVKDONJSA-N 1 1 205.305 1.049 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001231843030 977759355 /nfs/dbraw/zinc/75/93/55/977759355.db2.gz SNBMFZUULQBDHE-FZMZJTMJSA-N 1 1 235.327 1.822 20 10 BDCDMO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)C2)cc1O ZINC001233483256 978611847 /nfs/dbraw/zinc/61/18/47/978611847.db2.gz SIVWYNDXAABCQE-MRVPVSSYSA-N 1 1 227.235 1.347 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](F)C2)cc1O ZINC001233483256 978611849 /nfs/dbraw/zinc/61/18/49/978611849.db2.gz SIVWYNDXAABCQE-MRVPVSSYSA-N 1 1 227.235 1.347 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@H](C)O1 ZINC001204272061 978897693 /nfs/dbraw/zinc/89/76/93/978897693.db2.gz JBPYCJZCPNLTFH-AOOOYVTPSA-N 1 1 237.299 1.707 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236247053 979467531 /nfs/dbraw/zinc/46/75/31/979467531.db2.gz NZDUGUNQPHROOB-GFCCVEGCSA-N 1 1 234.343 1.932 20 10 BDCDMO Cc1cc(C)c(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236247053 979467541 /nfs/dbraw/zinc/46/75/41/979467541.db2.gz NZDUGUNQPHROOB-GFCCVEGCSA-N 1 1 234.343 1.932 20 10 BDCDMO CCc1ccc(C[N@@H+](C)CC(C)=O)c(O)c1 ZINC001236783729 979728440 /nfs/dbraw/zinc/72/84/40/979728440.db2.gz OPTRWMWYVWEIAB-UHFFFAOYSA-N 1 1 221.300 1.975 20 10 BDCDMO CCc1ccc(C[NH+]2CC(NC(C)=O)C2)c(O)c1 ZINC001236794788 979741252 /nfs/dbraw/zinc/74/12/52/979741252.db2.gz OMISBNHYOHKLBU-UHFFFAOYSA-N 1 1 248.326 1.275 20 10 BDCDMO Cc1cc(F)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC001238056220 980132552 /nfs/dbraw/zinc/13/25/52/980132552.db2.gz FUIHDSZXVKRFTE-JOYOIKCWSA-N 1 1 239.290 1.652 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c1 ZINC001275311591 984534761 /nfs/dbraw/zinc/53/47/61/984534761.db2.gz FTAYSNPYNXQUDN-KBPBESRZSA-N 1 1 246.354 1.979 20 10 BDCDMO C[C@@H]1[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@H+]1C ZINC000719395505 984653486 /nfs/dbraw/zinc/65/34/86/984653486.db2.gz KHRXGWGWYQJBFU-ZWNOBZJWSA-N 1 1 247.342 1.020 20 10 BDCDMO C[NH2+]CCN(C)Cc1cc(Cl)c(F)cc1O ZINC001578703833 985301902 /nfs/dbraw/zinc/30/19/02/985301902.db2.gz CHTQJATVMSJJQD-UHFFFAOYSA-N 1 1 246.713 1.836 20 10 BDCDMO CC[N@@H+]1CC[C@H]1C(=O)NCc1ccccc1O ZINC001465990861 986762320 /nfs/dbraw/zinc/76/23/20/986762320.db2.gz UURNGVKKOALPFI-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO CC[N@H+]1CC[C@H]1C(=O)NCc1ccccc1O ZINC001465990861 986762332 /nfs/dbraw/zinc/76/23/32/986762332.db2.gz UURNGVKKOALPFI-NSHDSACASA-N 1 1 234.299 1.103 20 10 BDCDMO C[C@@H]1CC[C@@H](NCCc2ccc(N)cc2)C[NH2+]1 ZINC001246466933 987826653 /nfs/dbraw/zinc/82/66/53/987826653.db2.gz QVDMIOZEXSRKDE-BXUZGUMPSA-N 1 1 233.359 1.541 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC001137831638 990854375 /nfs/dbraw/zinc/85/43/75/990854375.db2.gz IEOLTUUEAXXLRP-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001137831638 990854379 /nfs/dbraw/zinc/85/43/79/990854379.db2.gz IEOLTUUEAXXLRP-SNVBAGLBSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001137832896 990856331 /nfs/dbraw/zinc/85/63/31/990856331.db2.gz LFYYKRWWMOBEJD-DGCLKSJQSA-N 1 1 237.274 1.895 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001137832896 990856333 /nfs/dbraw/zinc/85/63/33/990856333.db2.gz LFYYKRWWMOBEJD-DGCLKSJQSA-N 1 1 237.274 1.895 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001137832716 990857164 /nfs/dbraw/zinc/85/71/64/990857164.db2.gz FFAOUVZFTQMODS-DTORHVGOSA-N 1 1 207.248 1.983 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001137832716 990857167 /nfs/dbraw/zinc/85/71/67/990857167.db2.gz FFAOUVZFTQMODS-DTORHVGOSA-N 1 1 207.248 1.983 20 10 BDCDMO CC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138129875 990887654 /nfs/dbraw/zinc/88/76/54/990887654.db2.gz XUDRZAZWQCBERQ-JTQLQIEISA-N 1 1 237.274 1.942 20 10 BDCDMO CC(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138129875 990887657 /nfs/dbraw/zinc/88/76/57/990887657.db2.gz XUDRZAZWQCBERQ-JTQLQIEISA-N 1 1 237.274 1.942 20 10 BDCDMO COC(=O)CC[N@@H+](C)Cc1cc(F)ccc1O ZINC001140060112 991510638 /nfs/dbraw/zinc/51/06/38/991510638.db2.gz LGLVTYZUOCWKDG-UHFFFAOYSA-N 1 1 241.262 1.526 20 10 BDCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140058395 991511823 /nfs/dbraw/zinc/51/18/23/991511823.db2.gz YFJGTEXSULGFDU-CABZTGNLSA-N 1 1 239.290 1.734 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC001140179030 991548422 /nfs/dbraw/zinc/54/84/22/991548422.db2.gz FJXKKVSNBRDRLE-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC001140179030 991548434 /nfs/dbraw/zinc/54/84/34/991548434.db2.gz FJXKKVSNBRDRLE-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCNC(=O)CC2)c1O ZINC001140179563 991548728 /nfs/dbraw/zinc/54/87/28/991548728.db2.gz FNVQRVDHPBMLLZ-UHFFFAOYSA-N 1 1 248.326 1.331 20 10 BDCDMO CC(=O)OC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179525 991550373 /nfs/dbraw/zinc/55/03/73/991550373.db2.gz LHUQXOCSOTZQBL-UHFFFAOYSA-N 1 1 249.310 1.756 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCN3CC[C@H]3C2)c1O ZINC001140184908 991557852 /nfs/dbraw/zinc/55/78/52/991557852.db2.gz KOCHPVZSXGKMPL-ZDUSSCGKSA-N 1 1 246.354 1.899 20 10 BDCDMO Cc1ccc(C)c(CN2CC[N@@H+]3CC[C@H]3C2)c1O ZINC001140184908 991557868 /nfs/dbraw/zinc/55/78/68/991557868.db2.gz KOCHPVZSXGKMPL-ZDUSSCGKSA-N 1 1 246.354 1.899 20 10 BDCDMO Cc1ccc(C)c(CN2CC[N@H+]3CC[C@H]3C2)c1O ZINC001140184908 991557877 /nfs/dbraw/zinc/55/78/77/991557877.db2.gz KOCHPVZSXGKMPL-ZDUSSCGKSA-N 1 1 246.354 1.899 20 10 BDCDMO Oc1cccc(Cl)c1C[NH+]1CC2(COC2)C1 ZINC001140337882 991609540 /nfs/dbraw/zinc/60/95/40/991609540.db2.gz LHLVINDUEFKTSC-UHFFFAOYSA-N 1 1 239.702 1.878 20 10 BDCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285798 995002537 /nfs/dbraw/zinc/00/25/37/995002537.db2.gz MOFDQYJMZQUGHS-UKRRQHHQSA-N 1 1 245.370 1.795 20 10 BDCDMO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000128262811 345228328 /nfs/dbraw/zinc/22/83/28/345228328.db2.gz GUXGBOGDRUOHRG-QWRGUYRKSA-N 1 1 239.290 1.780 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000162818034 179071502 /nfs/dbraw/zinc/07/15/02/179071502.db2.gz LPYVVNJJZMJZHZ-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000183374432 179073496 /nfs/dbraw/zinc/07/34/96/179073496.db2.gz BBTFGSMVRPAYQQ-GFCCVEGCSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1O ZINC000191181084 179081731 /nfs/dbraw/zinc/08/17/31/179081731.db2.gz NWQFSAFSAFKIFK-GWCFXTLKSA-N 1 1 235.327 1.903 20 10 BDCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000368132271 181245977 /nfs/dbraw/zinc/24/59/77/181245977.db2.gz FHXWATJLWSGQID-SNVBAGLBSA-N 1 1 234.299 1.090 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191662882 357781901 /nfs/dbraw/zinc/78/19/01/357781901.db2.gz RUTWEORCJHRUCD-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO 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ZINC000894916309 583555800 /nfs/dbraw/zinc/55/58/00/583555800.db2.gz DTCBEIUXVCOTDT-RDDDGLTNSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894916309 583555801 /nfs/dbraw/zinc/55/58/01/583555801.db2.gz DTCBEIUXVCOTDT-RDDDGLTNSA-N 1 1 243.253 1.626 20 10 BDCDMO Cc1cccc(C[N@H+]2CCc3n[nH]cc3C2)c1O ZINC000857876522 588918761 /nfs/dbraw/zinc/91/87/61/588918761.db2.gz RVUIVOMHYZDULV-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO CCOc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895647079 583699050 /nfs/dbraw/zinc/69/90/50/583699050.db2.gz JPOAANNJSGQUEF-FZMZJTMJSA-N 1 1 249.310 1.358 20 10 BDCDMO COc1cc(C)cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895644902 583700379 /nfs/dbraw/zinc/70/03/79/583700379.db2.gz HYCDUDATDGTORF-BXUZGUMPSA-N 1 1 249.310 1.276 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652512 583703762 /nfs/dbraw/zinc/70/37/62/583703762.db2.gz HTDKQYYMTKSCFW-CABZTGNLSA-N 1 1 223.247 1.098 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000897684641 584039833 /nfs/dbraw/zinc/03/98/33/584039833.db2.gz UKYCONJMBNVKLS-PELKAZGASA-N 1 1 241.718 1.858 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1O ZINC000898187307 584094143 /nfs/dbraw/zinc/09/41/43/584094143.db2.gz JIEZVDVICFGOMV-NEPJUHHUSA-N 1 1 239.290 1.605 20 10 BDCDMO COc1ccc(O)c(CNCC(F)(F)C[NH3+])c1 ZINC000841060383 584126174 /nfs/dbraw/zinc/12/61/74/584126174.db2.gz XTPVWJIZWHGLDL-UHFFFAOYSA-N 1 1 246.257 1.084 20 10 BDCDMO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062474 584126376 /nfs/dbraw/zinc/12/63/76/584126376.db2.gz XDYVJAZUXKFROK-FZMZJTMJSA-N 1 1 246.354 1.852 20 10 BDCDMO C[N@@H+](CCNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000731871151 584930161 /nfs/dbraw/zinc/93/01/61/584930161.db2.gz FBWKQGMZNJATDM-UHFFFAOYSA-N 1 1 240.328 1.278 20 10 BDCDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000817972707 584993960 /nfs/dbraw/zinc/99/39/60/584993960.db2.gz NVQDJRBLEZNTMH-ZJUUUORDSA-N 1 1 208.305 1.698 20 10 BDCDMO Cc1ccc(O)c([C@H](C)NC[C@@H](C)[NH3+])c1 ZINC000817972707 584993961 /nfs/dbraw/zinc/99/39/61/584993961.db2.gz NVQDJRBLEZNTMH-ZJUUUORDSA-N 1 1 208.305 1.698 20 10 BDCDMO CC1(CO)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839145086 585092019 /nfs/dbraw/zinc/09/20/19/585092019.db2.gz HRBPAVMPJSVUFB-UHFFFAOYSA-N 1 1 241.718 1.860 20 10 BDCDMO CC1(CO)C[NH+](Cc2cccc(F)c2O)C1 ZINC000839145654 585092426 /nfs/dbraw/zinc/09/24/26/585092426.db2.gz OUUSKGZZLCCEGD-UHFFFAOYSA-N 1 1 225.263 1.346 20 10 BDCDMO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CN)cc1C ZINC000843053039 585332221 /nfs/dbraw/zinc/33/22/21/585332221.db2.gz YMBHBPNBJCBQCO-NSHDSACASA-N 1 1 222.332 1.788 20 10 BDCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](C)CN)cc1C ZINC000843053039 585332222 /nfs/dbraw/zinc/33/22/22/585332222.db2.gz YMBHBPNBJCBQCO-NSHDSACASA-N 1 1 222.332 1.788 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768443972 585538931 /nfs/dbraw/zinc/53/89/31/585538931.db2.gz KEISHHWBFQAHRR-ZANVPECISA-N 1 1 249.310 1.660 20 10 BDCDMO COc1cccc(O)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000769423665 585556065 /nfs/dbraw/zinc/55/60/65/585556065.db2.gz GEVLWGZKKSQKKX-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000769423665 585556066 /nfs/dbraw/zinc/55/60/66/585556066.db2.gz GEVLWGZKKSQKKX-UHFFFAOYSA-N 1 1 247.298 1.756 20 10 BDCDMO COc1cccc(O)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770396044 585573776 /nfs/dbraw/zinc/57/37/76/585573776.db2.gz YEDGDTPMKQPWST-PHIMTYICSA-N 1 1 248.326 1.052 20 10 BDCDMO CC[N@@H+](CCCO)Cc1cc(OC)ccc1O ZINC000775717054 585683302 /nfs/dbraw/zinc/68/33/02/585683302.db2.gz QLBDDJBZJUHSJC-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO CCOc1ccc(C[N@@H+](C)C[C@@H](C)O)c(O)c1 ZINC000776520803 585700003 /nfs/dbraw/zinc/70/00/03/585700003.db2.gz GTSQWPRRNIFAPI-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783734559 585841173 /nfs/dbraw/zinc/84/11/73/585841173.db2.gz MQUWQRGQFOJVPM-RISCZKNCSA-N 1 1 249.310 1.215 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000840131786 586468435 /nfs/dbraw/zinc/46/84/35/586468435.db2.gz CVUVXXCDIHOLBS-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000840131786 586468437 /nfs/dbraw/zinc/46/84/37/586468437.db2.gz CVUVXXCDIHOLBS-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccccc1O ZINC000809576431 586507746 /nfs/dbraw/zinc/50/77/46/586507746.db2.gz VUCKVWZWIOMBGI-ZDUSSCGKSA-N 1 1 237.299 1.164 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1cc(F)ccc1O ZINC000809745436 586516261 /nfs/dbraw/zinc/51/62/61/586516261.db2.gz TYRAMVXJWNFLSY-UHFFFAOYSA-N 1 1 237.234 1.513 20 10 BDCDMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)ccc1N(C)C ZINC000815081055 586665955 /nfs/dbraw/zinc/66/59/55/586665955.db2.gz QOCRTPYXGBSYBA-IUODEOHRSA-N 1 1 248.370 1.874 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1c(O)cccc1OC ZINC000816637177 586746191 /nfs/dbraw/zinc/74/61/91/586746191.db2.gz VRAPMELJBWHFLD-JTQLQIEISA-N 1 1 237.299 1.622 20 10 BDCDMO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCNC1)CC2 ZINC000817941955 586845263 /nfs/dbraw/zinc/84/52/63/586845263.db2.gz USIHIAPPXGQHCV-RYUDHWBXSA-N 1 1 232.327 1.721 20 10 BDCDMO C[C@H](N[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817944969 586846256 /nfs/dbraw/zinc/84/62/56/586846256.db2.gz QLHSIDGVMVKUSC-CBAPKCEASA-N 1 1 242.269 1.683 20 10 BDCDMO CCNCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817951610 586847818 /nfs/dbraw/zinc/84/78/18/586847818.db2.gz HIDRLLHWRJWMBD-LLVKDONJSA-N 1 1 222.332 1.961 20 10 BDCDMO C[C@H](NCC(C)(C)[NH3+])c1cc(F)ccc1O ZINC000817960660 586852092 /nfs/dbraw/zinc/85/20/92/586852092.db2.gz PDLSIPLKROHPFS-QMMMGPOBSA-N 1 1 226.295 1.919 20 10 BDCDMO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1O ZINC000817964727 586853993 /nfs/dbraw/zinc/85/39/93/586853993.db2.gz GJAJFKWPQPJNHI-CABZTGNLSA-N 1 1 220.316 1.780 20 10 BDCDMO COc1ccc(O)c([C@H](C)NC[C@@H](C)[NH3+])c1 ZINC000817973262 586859789 /nfs/dbraw/zinc/85/97/89/586859789.db2.gz RXESBEBXFNSXGY-BDAKNGLRSA-N 1 1 224.304 1.399 20 10 BDCDMO CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C)cc1O ZINC000817977230 586861807 /nfs/dbraw/zinc/86/18/07/586861807.db2.gz FDZSPMGZRZYSRG-COMQUAJESA-N 1 1 246.354 1.959 20 10 BDCDMO COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978192 586862042 /nfs/dbraw/zinc/86/20/42/586862042.db2.gz XYIVZXFHGNSNBC-HDRXNWCYSA-N 1 1 248.326 1.269 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCO ZINC000840907725 587928661 /nfs/dbraw/zinc/92/86/61/587928661.db2.gz HMYXAQZJIBLIJE-UHFFFAOYSA-N 1 1 222.332 1.485 20 10 BDCDMO COc1ccc(O)c(CNC2CC[NH2+]CC2)c1 ZINC000841026499 587935701 /nfs/dbraw/zinc/93/57/01/587935701.db2.gz FFLVJTYRMFHBSI-UHFFFAOYSA-N 1 1 236.315 1.242 20 10 BDCDMO CN(C)c1ccc(CN[C@@H](C[NH3+])C2CC2)cc1 ZINC000841027484 587935952 /nfs/dbraw/zinc/93/59/52/587935952.db2.gz BYUAIVVLONPBQK-AWEZNQCLSA-N 1 1 233.359 1.580 20 10 BDCDMO C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841048317 587939489 /nfs/dbraw/zinc/93/94/89/587939489.db2.gz HHCBCSBDZOQTTR-QMMMGPOBSA-N 1 1 228.723 1.730 20 10 BDCDMO COc1ccc(O)c(CN[C@H](C)[C@H](C)[NH3+])c1 ZINC000841076992 587944075 /nfs/dbraw/zinc/94/40/75/587944075.db2.gz VXYKDLPITNOBDF-DTWKUNHWSA-N 1 1 224.304 1.226 20 10 BDCDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058047 588077864 /nfs/dbraw/zinc/07/78/64/588077864.db2.gz NZRRFYRTVYDVOW-VHSXEESVSA-N 1 1 238.306 1.700 20 10 BDCDMO CN(Cc1c(O)ccc(Cl)c1F)C1C[NH2+]C1 ZINC000843125941 588084470 /nfs/dbraw/zinc/08/44/70/588084470.db2.gz DBSIYOQWPIIESH-UHFFFAOYSA-N 1 1 244.697 1.588 20 10 BDCDMO COc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1O ZINC000846108571 588256840 /nfs/dbraw/zinc/25/68/40/588256840.db2.gz BLAJYDWSRNXJHO-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO CCc1cccc(C[N@H+]2CC[C@H](O)C2)c1O ZINC000848881643 588416164 /nfs/dbraw/zinc/41/61/64/588416164.db2.gz QTVREAYXXJBDCP-LBPRGKRZSA-N 1 1 221.300 1.521 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCC3(COC3)C2)cc1 ZINC000852683731 588695298 /nfs/dbraw/zinc/69/52/98/588695298.db2.gz QZKFQZJGOWFJMH-UHFFFAOYSA-N 1 1 246.354 1.975 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000876522913 590208004 /nfs/dbraw/zinc/20/80/04/590208004.db2.gz GGZBIDMQKNNZDW-NSHDSACASA-N 1 1 234.299 1.008 20 10 BDCDMO Cc1cccc(O)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000876714007 590232640 /nfs/dbraw/zinc/23/26/40/590232640.db2.gz SAGWKUJXWZEMMU-ZDUSSCGKSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCN2CCC[C@H]2C1 ZINC000876714007 590232641 /nfs/dbraw/zinc/23/26/41/590232641.db2.gz SAGWKUJXWZEMMU-ZDUSSCGKSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCN2CCC[C@H]2C1 ZINC000876714007 590232642 /nfs/dbraw/zinc/23/26/42/590232642.db2.gz SAGWKUJXWZEMMU-ZDUSSCGKSA-N 1 1 246.354 1.981 20 10 BDCDMO CC[N@@H+](CCCO)Cc1ccc(C)cc1O ZINC000876766267 590239749 /nfs/dbraw/zinc/23/97/49/590239749.db2.gz GSBOUVPBCXHGFJ-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1ccc(C[N@H+](C)C2CC(O)C2)c(O)c1 ZINC000877344689 590317975 /nfs/dbraw/zinc/31/79/75/590317975.db2.gz LZAQAAPCWZUMOO-UHFFFAOYSA-N 1 1 221.300 1.656 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c(O)c1 ZINC000877493068 590339541 /nfs/dbraw/zinc/33/95/41/590339541.db2.gz DAESLCHYQHCJNK-AWEZNQCLSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000877505021 590342265 /nfs/dbraw/zinc/34/22/65/590342265.db2.gz WONZMQHLNZWZFK-ZDUSSCGKSA-N 1 1 239.290 1.607 20 10 BDCDMO Cc1ccc(C[N@@H+](C)CCOCCO)c(O)c1 ZINC000877502949 590343015 /nfs/dbraw/zinc/34/30/15/590343015.db2.gz WWCQDMPRCYYWNL-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCN2CCC1CC2 ZINC000877527383 590349020 /nfs/dbraw/zinc/34/90/20/590349020.db2.gz RIIWDCMQVCKQKG-UHFFFAOYSA-N 1 1 246.354 1.981 20 10 BDCDMO COC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877580709 590365597 /nfs/dbraw/zinc/36/55/97/590365597.db2.gz XJBKPRQALWKQAH-UHFFFAOYSA-N 1 1 207.273 1.531 20 10 BDCDMO Cc1[nH+]cc(CN2Cc3cccc(O)c3C2)n1C ZINC000877703007 590395379 /nfs/dbraw/zinc/39/53/79/590395379.db2.gz OEOAHICYTBDGCN-UHFFFAOYSA-N 1 1 243.310 1.950 20 10 BDCDMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1O ZINC000126770311 590441553 /nfs/dbraw/zinc/44/15/53/590441553.db2.gz DGUZVOCCOSGBTH-QWRGUYRKSA-N 1 1 220.316 1.561 20 10 BDCDMO C[C@@H]([NH2+]CCc1c[nH]nn1)c1ccccc1O ZINC000879649442 590841726 /nfs/dbraw/zinc/84/17/26/590841726.db2.gz TZEUHTGUHZWYNL-SECBINFHSA-N 1 1 232.287 1.404 20 10 BDCDMO CN(Cc1ccccc1O)C[C@H]1CCC[N@H+]1C ZINC000211616642 591209164 /nfs/dbraw/zinc/20/91/64/591209164.db2.gz ZBWWOXIZBDPEGS-CYBMUJFWSA-N 1 1 234.343 1.918 20 10 BDCDMO CN1CCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000211616642 591209166 /nfs/dbraw/zinc/20/91/66/591209166.db2.gz ZBWWOXIZBDPEGS-CYBMUJFWSA-N 1 1 234.343 1.918 20 10 BDCDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1O ZINC000211616642 591209169 /nfs/dbraw/zinc/20/91/69/591209169.db2.gz ZBWWOXIZBDPEGS-CYBMUJFWSA-N 1 1 234.343 1.918 20 10 BDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC000211633305 591209398 /nfs/dbraw/zinc/20/93/98/591209398.db2.gz IHCNKIPXRWHITO-GFCCVEGCSA-N 1 1 246.310 1.199 20 10 BDCDMO COCc1cc(C[NH2+]Cc2ccccc2O)no1 ZINC000882955973 591483573 /nfs/dbraw/zinc/48/35/73/591483573.db2.gz WSMRNIFDLCCHTQ-UHFFFAOYSA-N 1 1 248.282 1.816 20 10 BDCDMO C[N@@H+](CCn1ccnc1)Cc1ccccc1O ZINC000131927056 591678695 /nfs/dbraw/zinc/67/86/95/591678695.db2.gz RDRULOYNFWIIEL-UHFFFAOYSA-N 1 1 231.299 1.721 20 10 BDCDMO COCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886489569 592236240 /nfs/dbraw/zinc/23/62/40/592236240.db2.gz MBNWKAPWMGVZOG-QMMMGPOBSA-N 1 1 213.252 1.828 20 10 BDCDMO C[C@H]([NH2+]CC(C)(C)O)c1c(O)cccc1F ZINC000886525955 592246010 /nfs/dbraw/zinc/24/60/10/592246010.db2.gz BOPYAEAEXFKLTD-QMMMGPOBSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[C@@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886637606 592286101 /nfs/dbraw/zinc/28/61/01/592286101.db2.gz ARFGLWKKSSLAET-DTWKUNHWSA-N 1 1 227.279 1.953 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C2)c1 ZINC000300046223 592501067 /nfs/dbraw/zinc/50/10/67/592501067.db2.gz RQGDNTRCNHMSOP-GFCCVEGCSA-N 1 1 237.299 1.622 20 10 BDCDMO CN(C)CC(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000308612963 631446208 /nfs/dbraw/zinc/44/62/08/631446208.db2.gz HLOTXRNEPAULSE-UHFFFAOYSA-N 1 1 240.322 1.961 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]2CO)cc1 ZINC000934013194 631590208 /nfs/dbraw/zinc/59/02/08/631590208.db2.gz GFOZJSOVUIJEJE-AWEZNQCLSA-N 1 1 234.343 1.709 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN)c1 ZINC000168810551 633149212 /nfs/dbraw/zinc/14/92/12/633149212.db2.gz CBYJBSXHZQWQGN-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN)c1 ZINC000168810551 633149214 /nfs/dbraw/zinc/14/92/14/633149214.db2.gz CBYJBSXHZQWQGN-GFCCVEGCSA-N 1 1 220.316 1.624 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]CC2(N)CC2)c1 ZINC000904451406 637415955 /nfs/dbraw/zinc/41/59/55/637415955.db2.gz YMVFMUDFSOVKKP-UHFFFAOYSA-N 1 1 206.289 1.282 20 10 BDCDMO CN(C)c1ccc(C[NH2+]CC2(N)CC2)cc1 ZINC000904451635 637417699 /nfs/dbraw/zinc/41/76/99/637417699.db2.gz XNUPPHIJRDORNB-UHFFFAOYSA-N 1 1 219.332 1.334 20 10 BDCDMO CN(C)c1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508306 638179398 /nfs/dbraw/zinc/17/93/98/638179398.db2.gz MFKLPHRIVZGSFK-HAQNSBGRSA-N 1 1 219.332 1.332 20 10 BDCDMO [NH3+]C1CC(NCc2ccc3c(c2)CCO3)C1 ZINC000906509239 638181353 /nfs/dbraw/zinc/18/13/53/638181353.db2.gz BVFDJBIZQAHBGP-UHFFFAOYSA-N 1 1 218.300 1.201 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(F)cc1O ZINC000062748156 641092215 /nfs/dbraw/zinc/09/22/15/641092215.db2.gz DAUYLUTXJRVQSQ-GXSJLCMTSA-N 1 1 238.306 1.886 20 10 BDCDMO CN1CC[N@@H+](Cc2ccccc2O)CC1(C)C ZINC000211527881 641512078 /nfs/dbraw/zinc/51/20/78/641512078.db2.gz JYEVMCDYVBVYTB-UHFFFAOYSA-N 1 1 234.343 1.918 20 10 BDCDMO COC[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000083347414 643531785 /nfs/dbraw/zinc/53/17/85/643531785.db2.gz MTOLJMCJFAPBFT-QMMMGPOBSA-N 1 1 213.252 1.656 20 10 BDCDMO Cc1cccc(C[N@H+](C)CC2CN(C)C2)c1O ZINC000827124973 645073834 /nfs/dbraw/zinc/07/38/34/645073834.db2.gz GMGPDELFEKBFGE-UHFFFAOYSA-N 1 1 234.343 1.694 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)CC2CN(C)C2)cc1 ZINC000827124928 645074056 /nfs/dbraw/zinc/07/40/56/645074056.db2.gz GHRBKNYMPJBQSN-UHFFFAOYSA-N 1 1 247.386 1.746 20 10 BDCDMO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(F)cc1O ZINC000927149292 645572219 /nfs/dbraw/zinc/57/22/19/645572219.db2.gz YBRKJSHWYGBWAS-QXEWZRGKSA-N 1 1 239.290 1.953 20 10 BDCDMO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000389815085 711089850 /nfs/dbraw/zinc/08/98/50/711089850.db2.gz NPEJPPUTSHGHMZ-UHFFFAOYSA-N 1 1 244.298 1.040 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)C1CC([NH3+])C1 ZINC000384713125 710950660 /nfs/dbraw/zinc/95/06/60/710950660.db2.gz FALDBHTWCCSQKN-UHFFFAOYSA-N 1 1 206.289 1.314 20 10 BDCDMO CN(Cc1ccccc1O)C1CC([NH3+])C1 ZINC000384713125 710950664 /nfs/dbraw/zinc/95/06/64/710950664.db2.gz FALDBHTWCCSQKN-UHFFFAOYSA-N 1 1 206.289 1.314 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000700591096 711999031 /nfs/dbraw/zinc/99/90/31/711999031.db2.gz PHHXCFROUCRMEX-GFCCVEGCSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708389561 712191926 /nfs/dbraw/zinc/19/19/26/712191926.db2.gz LTAFLWBOIUDUQJ-ZCFIWIBFSA-N 1 1 217.215 1.141 20 10 BDCDMO CO[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708393267 712191730 /nfs/dbraw/zinc/19/17/30/712191730.db2.gz AUEKEUBXOFPTKQ-ZETCQYMHSA-N 1 1 231.242 1.795 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000718144372 712748717 /nfs/dbraw/zinc/74/87/17/712748717.db2.gz DMBKVYPLGWICMD-TXEJJXNPSA-N 1 1 249.310 1.479 20 10 BDCDMO OCC1C[NH+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269134 977988146 /nfs/dbraw/zinc/98/81/46/977988146.db2.gz WOQAYUGVBPQSGM-UHFFFAOYSA-N 1 1 243.690 1.175 20 10 BDCDMO CCC[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482169 978610008 /nfs/dbraw/zinc/61/00/08/978610008.db2.gz CDUKMSZSQXEEKX-UHFFFAOYSA-N 1 1 211.261 1.645 20 10 BDCDMO [NH3+][C@@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001236169328 979425060 /nfs/dbraw/zinc/42/50/60/979425060.db2.gz CYUDFRZIFUBROH-MRVPVSSYSA-N 1 1 228.242 1.203 20 10 BDCDMO CCc1ccc(C[N@@H+](C)CCN(C)C)c(O)c1 ZINC001236783886 979731619 /nfs/dbraw/zinc/73/16/19/979731619.db2.gz PJKLPBWDKGXNCZ-UHFFFAOYSA-N 1 1 236.359 1.948 20 10 BDCDMO CCc1ccc(CN(C)CC[NH+](C)C)c(O)c1 ZINC001236783886 979731625 /nfs/dbraw/zinc/73/16/25/979731625.db2.gz PJKLPBWDKGXNCZ-UHFFFAOYSA-N 1 1 236.359 1.948 20 10 BDCDMO Nc1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218230943 971642790 /nfs/dbraw/zinc/64/27/90/971642790.db2.gz FWQLQMVMXXLKPQ-VIFPVBQESA-N 1 1 214.215 1.255 20 10 BDCDMO C[C@H]1C[C@@H](NCc2cccc(O)c2O)CC[NH2+]1 ZINC001246318810 972278148 /nfs/dbraw/zinc/27/81/48/972278148.db2.gz VPWNLZVHHMEKLI-ONGXEEELSA-N 1 1 236.315 1.328 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2CO)c1O ZINC001140178137 957718568 /nfs/dbraw/zinc/71/85/68/957718568.db2.gz AFEOSYBUWKMHSQ-LBPRGKRZSA-N 1 1 235.327 1.966 20 10 BDCDMO Cc1ccc(C)c(C[N@H+](C)C2COC2)c1O ZINC001140182747 957726236 /nfs/dbraw/zinc/72/62/36/957726236.db2.gz YZAPTIARMNKPQG-UHFFFAOYSA-N 1 1 221.300 1.840 20 10 BDCDMO 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Cc1ccc(O)c(C[NH+]2CC3(C2)CCN(C)C3)c1 ZINC001275311799 984532827 /nfs/dbraw/zinc/53/28/27/984532827.db2.gz OIJYAJHDAGPCQI-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO C[NH2+][C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001578609827 985225909 /nfs/dbraw/zinc/22/59/09/985225909.db2.gz ZOEGBLOAXUOYRI-SECBINFHSA-N 1 1 242.269 1.464 20 10 BDCDMO CCc1cccc(CN2CC[NH+](C)CC2)c1O ZINC000692107084 985410497 /nfs/dbraw/zinc/41/04/97/985410497.db2.gz BWRNHDBQHOLVSF-UHFFFAOYSA-N 1 1 234.343 1.702 20 10 BDCDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001473429588 987433559 /nfs/dbraw/zinc/43/35/59/987433559.db2.gz XIMMUXNIYOWPNN-JSGCOSHPSA-N 1 1 248.370 1.955 20 10 BDCDMO C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CN1 ZINC001246239593 987639480 /nfs/dbraw/zinc/63/94/80/987639480.db2.gz KEMZZSIDPVQTKE-ONGXEEELSA-N 1 1 236.315 1.328 20 10 BDCDMO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474525827 987748526 /nfs/dbraw/zinc/74/85/26/987748526.db2.gz MKWDQEXIJRJTED-CPCISQLKSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474525827 987748534 /nfs/dbraw/zinc/74/85/34/987748534.db2.gz MKWDQEXIJRJTED-CPCISQLKSA-N 1 1 243.253 1.626 20 10 BDCDMO Nc1ccc(CNCC2([NH3+])CCCC2)cc1 ZINC001120371953 989647037 /nfs/dbraw/zinc/64/70/37/989647037.db2.gz WFCMMZGEWUXQBZ-UHFFFAOYSA-N 1 1 219.332 1.630 20 10 BDCDMO C[N@H+](Cc1c(O)cccc1F)[C@H]1CCOC1 ZINC001137837815 990856096 /nfs/dbraw/zinc/85/60/96/990856096.db2.gz VRPYGDVNKUEGQV-VIFPVBQESA-N 1 1 225.263 1.752 20 10 BDCDMO C[N@@H+](Cc1c(O)cccc1F)[C@H]1CCOC1 ZINC001137837815 990856099 /nfs/dbraw/zinc/85/60/99/990856099.db2.gz VRPYGDVNKUEGQV-VIFPVBQESA-N 1 1 225.263 1.752 20 10 BDCDMO OC[C@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137833019 990857612 /nfs/dbraw/zinc/85/76/12/990857612.db2.gz PXAJVRGRMCKPQC-SECBINFHSA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137833019 990857620 /nfs/dbraw/zinc/85/76/20/990857620.db2.gz PXAJVRGRMCKPQC-SECBINFHSA-N 1 1 225.263 1.488 20 10 BDCDMO Oc1cccc(F)c1C[NH+]1CC2(C1)CCOC2 ZINC001137832051 990858146 /nfs/dbraw/zinc/85/81/46/990858146.db2.gz YQCBGQZANJMNDF-UHFFFAOYSA-N 1 1 237.274 1.754 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000162085002 990947232 /nfs/dbraw/zinc/94/72/32/990947232.db2.gz RVHCLRGPQLPCAZ-LBPRGKRZSA-N 1 1 248.326 1.540 20 10 BDCDMO CCOCC[N@@H+](C)Cc1ccc(N)cc1 ZINC000035360488 991124437 /nfs/dbraw/zinc/12/44/37/991124437.db2.gz KXMYNFCXVDMULW-UHFFFAOYSA-N 1 1 208.305 1.737 20 10 BDCDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(N)cc1 ZINC000035364776 991133575 /nfs/dbraw/zinc/13/35/75/991133575.db2.gz LWRVMNWHBRXSQD-UHFFFAOYSA-N 1 1 235.331 1.227 20 10 BDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140055441 991507077 /nfs/dbraw/zinc/50/70/77/991507077.db2.gz YOSGWOWLGOQEBC-JOYOIKCWSA-N 1 1 239.290 1.877 20 10 BDCDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(C)C2)c1O ZINC000379764460 993273216 /nfs/dbraw/zinc/27/32/16/993273216.db2.gz GVYNBVLQCFNCSC-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(CN(C)[C@H]2CC[N@H+](C)C2)c1O ZINC000379764460 993273231 /nfs/dbraw/zinc/27/32/31/993273231.db2.gz GVYNBVLQCFNCSC-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO Cc1cccc(CN(C)[C@H]2CC[N@@H+](C)C2)c1O ZINC000379764460 993273239 /nfs/dbraw/zinc/27/32/39/993273239.db2.gz GVYNBVLQCFNCSC-ZDUSSCGKSA-N 1 1 234.343 1.837 20 10 BDCDMO NC[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC000379922019 993293929 /nfs/dbraw/zinc/29/39/29/993293929.db2.gz SDIPXPBFBKIUEK-GFCCVEGCSA-N 1 1 205.305 1.192 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285806 994998823 /nfs/dbraw/zinc/99/88/23/994998823.db2.gz MOFDQYJMZQUGHS-ZFWWWQNUSA-N 1 1 245.370 1.795 20 10 BDCDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285553 995002115 /nfs/dbraw/zinc/00/21/15/995002115.db2.gz MOFDQYJMZQUGHS-DZGCQCFKSA-N 1 1 245.370 1.795 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000133103849 398341380 /nfs/dbraw/zinc/34/13/80/398341380.db2.gz BAUKKRUFJKUESU-UHFFFAOYSA-N 1 1 234.343 1.709 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1O ZINC000092764289 343784919 /nfs/dbraw/zinc/78/49/19/343784919.db2.gz XYEWNBROQCPQAN-SNVBAGLBSA-N 1 1 237.299 1.215 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000272568235 179081465 /nfs/dbraw/zinc/08/14/65/179081465.db2.gz VHBPEGLBXDRAEN-RYUDHWBXSA-N 1 1 235.327 1.903 20 10 BDCDMO CC1(C)C[N@@H+](Cc2ccccc2O)C[C@@H]1O ZINC000280482207 351846688 /nfs/dbraw/zinc/84/66/88/351846688.db2.gz OCUNZFHKZINSDQ-LBPRGKRZSA-N 1 1 221.300 1.595 20 10 BDCDMO OC[C@@]1(F)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000289701960 183134969 /nfs/dbraw/zinc/13/49/69/183134969.db2.gz GBVGPCAJCKXSLW-CYBMUJFWSA-N 1 1 239.290 1.689 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000236549776 183254807 /nfs/dbraw/zinc/25/48/07/183254807.db2.gz ZHHODJFWXFFDOZ-GXSJLCMTSA-N 1 1 239.290 1.782 20 10 BDCDMO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000128086932 183292499 /nfs/dbraw/zinc/29/24/99/183292499.db2.gz GZXNRAUIGUCETK-MRVPVSSYSA-N 1 1 227.691 1.612 20 10 BDCDMO CCC[N@H+](CCO)Cc1cccc(F)c1O ZINC000272302528 169166290 /nfs/dbraw/zinc/16/62/90/169166290.db2.gz PXKPSKPZICAEHF-UHFFFAOYSA-N 1 1 227.279 1.736 20 10 BDCDMO CCC[N@@H+](CCO)Cc1cccc(F)c1O ZINC000272302528 169166292 /nfs/dbraw/zinc/16/62/92/169166292.db2.gz PXKPSKPZICAEHF-UHFFFAOYSA-N 1 1 227.279 1.736 20 10 BDCDMO Oc1ccccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375289622 183302619 /nfs/dbraw/zinc/30/26/19/183302619.db2.gz XEWGMMQNRVEDAC-LBPRGKRZSA-N 1 1 219.284 1.349 20 10 BDCDMO CCCOc1ccc(C[N@@H+](C)CCO)c(O)c1 ZINC000270992230 169318671 /nfs/dbraw/zinc/31/86/71/169318671.db2.gz IMURXSSDIUEHHM-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO C[N@H+](Cc1c[nH]cn1)Cc1ccccc1O ZINC000091956770 384157519 /nfs/dbraw/zinc/15/75/19/384157519.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1O ZINC000091956770 384157520 /nfs/dbraw/zinc/15/75/20/384157520.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO C[N@H+](Cc1cnc[nH]1)Cc1ccccc1O ZINC000091956770 384157522 /nfs/dbraw/zinc/15/75/22/384157522.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1O ZINC000091956770 384157524 /nfs/dbraw/zinc/15/75/24/384157524.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000132474127 384231939 /nfs/dbraw/zinc/23/19/39/384231939.db2.gz IBXBRVKJTCOOEO-LLVKDONJSA-N 1 1 221.300 1.921 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCCNC1=O ZINC000119948171 384319251 /nfs/dbraw/zinc/31/92/51/384319251.db2.gz ORHOMOHLUAKJJU-LBPRGKRZSA-N 1 1 248.326 1.493 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000121592252 384427575 /nfs/dbraw/zinc/42/75/75/384427575.db2.gz QNVYIBMKUCFNBR-JTQLQIEISA-N 1 1 249.232 1.747 20 10 BDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000124813092 384678571 /nfs/dbraw/zinc/67/85/71/384678571.db2.gz IHYLDVGOLPNJQP-LBPRGKRZSA-N 1 1 249.310 1.838 20 10 BDCDMO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000082992694 384734855 /nfs/dbraw/zinc/73/48/55/384734855.db2.gz VCDALLODMMEJHN-BDAKNGLRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062745819 385186636 /nfs/dbraw/zinc/18/66/36/385186636.db2.gz PNPUWQFNRGTZNU-HTQZYQBOSA-N 1 1 213.252 1.563 20 10 BDCDMO CN(C(=O)C[N@@H+](C)Cc1ccccc1O)C1CC1 ZINC000109771166 385190149 /nfs/dbraw/zinc/19/01/49/385190149.db2.gz SRDLSMMVPDLWNN-UHFFFAOYSA-N 1 1 248.326 1.445 20 10 BDCDMO C[N@H+](Cc1ccccc1O)[C@@H]1CCOC1=O ZINC000109769942 385191119 /nfs/dbraw/zinc/19/11/19/385191119.db2.gz GTTAUPDDVZXOKF-SNVBAGLBSA-N 1 1 221.256 1.140 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCOC1=O ZINC000109769942 385191124 /nfs/dbraw/zinc/19/11/24/385191124.db2.gz GTTAUPDDVZXOKF-SNVBAGLBSA-N 1 1 221.256 1.140 20 10 BDCDMO CCOc1cccc(C[N@@H+](C)C[C@@H](C)O)c1O ZINC000130717896 385279149 /nfs/dbraw/zinc/27/91/49/385279149.db2.gz VLALTXAQQJZBGT-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO CCOc1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000154511145 385332589 /nfs/dbraw/zinc/33/25/89/385332589.db2.gz VPGDGVXTVYVHAN-UHFFFAOYSA-N 1 1 237.299 1.623 20 10 BDCDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccccc1O ZINC000179561075 385474514 /nfs/dbraw/zinc/47/45/14/385474514.db2.gz HUTHAPJQIZLUPV-JTQLQIEISA-N 1 1 237.299 1.633 20 10 BDCDMO C[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180244727 385516161 /nfs/dbraw/zinc/51/61/61/385516161.db2.gz YXVWMSDCOKTGFJ-GFCCVEGCSA-N 1 1 225.263 1.488 20 10 BDCDMO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1O ZINC000364842825 385525264 /nfs/dbraw/zinc/52/52/64/385525264.db2.gz KBRDRUIPQSBAMV-MNOVXSKESA-N 1 1 225.263 1.297 20 10 BDCDMO C[N@H+](CCn1cccn1)Cc1cccc(F)c1O ZINC000272234558 385886705 /nfs/dbraw/zinc/88/67/05/385886705.db2.gz FJSIOTAYSDWDMF-UHFFFAOYSA-N 1 1 249.289 1.860 20 10 BDCDMO C[N@@H+](CCn1cccn1)Cc1cccc(F)c1O ZINC000272234558 385886709 /nfs/dbraw/zinc/88/67/09/385886709.db2.gz FJSIOTAYSDWDMF-UHFFFAOYSA-N 1 1 249.289 1.860 20 10 BDCDMO CC[N@@H+](CCCO)Cc1ccccc1O ZINC000272263878 385889224 /nfs/dbraw/zinc/88/92/24/385889224.db2.gz KLPKMGIWQQCBTA-UHFFFAOYSA-N 1 1 209.289 1.597 20 10 BDCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccccc2O)C1 ZINC000235382464 386161965 /nfs/dbraw/zinc/16/19/65/386161965.db2.gz KOOVJLXEHONQIN-CYBMUJFWSA-N 1 1 234.299 1.090 20 10 BDCDMO C[C@H](CO)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000289394794 386295659 /nfs/dbraw/zinc/29/56/59/386295659.db2.gz FNMMVDJSSVRNAC-MRVPVSSYSA-N 1 1 229.707 1.858 20 10 BDCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000289408165 386298707 /nfs/dbraw/zinc/29/87/07/386298707.db2.gz HMRVSUMVJUCBLK-JTQLQIEISA-N 1 1 239.315 1.604 20 10 BDCDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(C)ccc1O ZINC000295074398 386692404 /nfs/dbraw/zinc/69/24/04/386692404.db2.gz HSBJFKIFYCWBOK-LBPRGKRZSA-N 1 1 223.316 1.903 20 10 BDCDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccccc1O ZINC000185225744 387954513 /nfs/dbraw/zinc/95/45/13/387954513.db2.gz ZTYJFTVAIDKKCO-QFYYESIMSA-N 1 1 241.356 1.591 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC000291540914 398093819 /nfs/dbraw/zinc/09/38/19/398093819.db2.gz LFZPFGWHALWJEV-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCn3cncc3C2)c1 ZINC000291540914 398093822 /nfs/dbraw/zinc/09/38/22/398093822.db2.gz LFZPFGWHALWJEV-UHFFFAOYSA-N 1 1 243.310 1.913 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000132706658 174279923 /nfs/dbraw/zinc/27/99/23/174279923.db2.gz ZFANBNJGSFTJCE-UHFFFAOYSA-N 1 1 225.288 1.479 20 10 BDCDMO COCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053401441 174280209 /nfs/dbraw/zinc/28/02/09/174280209.db2.gz RBNUCZUYQMPDJG-UHFFFAOYSA-N 1 1 222.332 1.831 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367802726 175158182 /nfs/dbraw/zinc/15/81/82/175158182.db2.gz VCSHBSJSNJYQIV-ITGUQSILSA-N 1 1 249.310 1.071 20 10 BDCDMO COc1ccc(O)c(C[NH2+]CCCN(C)C)c1 ZINC000020091909 175159447 /nfs/dbraw/zinc/15/94/47/175159447.db2.gz VDVQDFFQVLSDFH-UHFFFAOYSA-N 1 1 238.331 1.442 20 10 BDCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366521449 175160563 /nfs/dbraw/zinc/16/05/63/175160563.db2.gz LVGRYPZBEODCIY-DUFXMDAXSA-N 1 1 249.310 1.935 20 10 BDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366521449 175160564 /nfs/dbraw/zinc/16/05/64/175160564.db2.gz LVGRYPZBEODCIY-DUFXMDAXSA-N 1 1 249.310 1.935 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1O ZINC000180194990 175260248 /nfs/dbraw/zinc/26/02/48/175260248.db2.gz DFIZANLURKSGNK-ZDUSSCGKSA-N 1 1 237.299 1.358 20 10 BDCDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccccc1O ZINC000377825474 176050296 /nfs/dbraw/zinc/05/02/96/176050296.db2.gz CBLCOWDAIZQUBP-SNVBAGLBSA-N 1 1 234.299 1.103 20 10 BDCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)[C@H]1CO ZINC000276698742 176175585 /nfs/dbraw/zinc/17/55/85/176175585.db2.gz DVEGQJLXCCQCET-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@H]1CO ZINC000276698742 176175586 /nfs/dbraw/zinc/17/55/86/176175586.db2.gz DVEGQJLXCCQCET-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 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/nfs/dbraw/zinc/50/15/29/583501529.db2.gz FLMWLQUDGWLKQT-UHFFFAOYSA-N 1 1 231.242 1.485 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647329 583698709 /nfs/dbraw/zinc/69/87/09/583698709.db2.gz KGMAGGWWPYRVAZ-AAEUAGOBSA-N 1 1 219.284 1.267 20 10 BDCDMO Oc1cccc(F)c1C[NH2+]CC1=CCCOC1 ZINC000896640685 583820353 /nfs/dbraw/zinc/82/03/53/583820353.db2.gz LUEUAZZSUJNODW-UHFFFAOYSA-N 1 1 237.274 1.968 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)NC2)c1 ZINC000863484855 583992228 /nfs/dbraw/zinc/99/22/28/583992228.db2.gz NYUXJVCBLDKPRW-WCQYABFASA-N 1 1 234.343 1.931 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897681366 584038882 /nfs/dbraw/zinc/03/88/82/584038882.db2.gz SQYCQZDEEOPFET-TVQRCGJNSA-N 1 1 237.299 1.213 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897681367 584039515 /nfs/dbraw/zinc/03/95/15/584039515.db2.gz SQYCQZDEEOPFET-ZANVPECISA-N 1 1 237.299 1.213 20 10 BDCDMO COc1cccc(O)c1C[NH2+]Cc1cn(C)cn1 ZINC000898045036 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CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)CO)c1 ZINC000809745361 586516830 /nfs/dbraw/zinc/51/68/30/586516830.db2.gz HMRVSUMVJUCBLK-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](C)CCC(N)=O)cc1 ZINC000815116727 586667236 /nfs/dbraw/zinc/66/72/36/586667236.db2.gz BHOVWACDHRNGCV-UHFFFAOYSA-N 1 1 249.358 1.450 20 10 BDCDMO N[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964768 586854031 /nfs/dbraw/zinc/85/40/31/586854031.db2.gz HJHGBZGWEIIBHN-RYUDHWBXSA-N 1 1 232.327 1.706 20 10 BDCDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000825104004 587304619 /nfs/dbraw/zinc/30/46/19/587304619.db2.gz KACWMQZYYDWHRY-LDYMZIIASA-N 1 1 225.263 1.486 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827291906 587375778 /nfs/dbraw/zinc/37/57/78/587375778.db2.gz NHQSLLUFAYXOIM-GXTWGEPZSA-N 1 1 233.311 1.657 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC(=O)N(C)CC2)c1 ZINC000827359560 587378198 /nfs/dbraw/zinc/37/81/98/587378198.db2.gz PMTXYKGXSXLZGQ-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1O ZINC000827936909 587411206 /nfs/dbraw/zinc/41/12/06/587411206.db2.gz GFXAVRVJWSYUBU-MNOVXSKESA-N 1 1 248.326 1.521 20 10 BDCDMO COc1ccc(C[NH2+][C@@H](CN)C2CC2)cc1C ZINC000841027387 587935931 /nfs/dbraw/zinc/93/59/31/587935931.db2.gz AOKURCHYOSPRMF-ZDUSSCGKSA-N 1 1 234.343 1.831 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCCN2)c1 ZINC000841033041 587936883 /nfs/dbraw/zinc/93/68/83/587936883.db2.gz NDPFSQFFWMIRSC-CYBMUJFWSA-N 1 1 234.343 1.932 20 10 BDCDMO COc1ccc(O)c(CNC[C@@H]([NH3+])C2CC2)c1 ZINC000841048130 587939304 /nfs/dbraw/zinc/93/93/04/587939304.db2.gz BWEHSUKCJZRXDL-GFCCVEGCSA-N 1 1 236.315 1.228 20 10 BDCDMO CN(CC[NH3+])Cc1c(O)ccc(Cl)c1F ZINC000841100173 587946204 /nfs/dbraw/zinc/94/62/04/587946204.db2.gz FELRVHDZXKQJFB-UHFFFAOYSA-N 1 1 232.686 1.575 20 10 BDCDMO Cc1cccc(C[NH2+][C@H]2CCCCNC2)c1O ZINC000841090189 587945530 /nfs/dbraw/zinc/94/55/30/587945530.db2.gz MJUXPBLSWGRRME-ZDUSSCGKSA-N 1 1 234.343 1.932 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843046454 588075743 /nfs/dbraw/zinc/07/57/43/588075743.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 1 1 238.306 1.715 20 10 BDCDMO C[NH2+][C@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000843044842 588076005 /nfs/dbraw/zinc/07/60/05/588076005.db2.gz KXGIAXLZGLOPDX-JTQLQIEISA-N 1 1 240.734 1.839 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)N[C@@H](C)C2)c1O ZINC000843049754 588076840 /nfs/dbraw/zinc/07/68/40/588076840.db2.gz VPZGBYUJKJGTEB-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](C)N[C@@H](C)C2)c1O ZINC000843049754 588076842 /nfs/dbraw/zinc/07/68/42/588076842.db2.gz VPZGBYUJKJGTEB-TXEJJXNPSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051422 588077259 /nfs/dbraw/zinc/07/72/59/588077259.db2.gz HFVBPQZNKFFJFL-CABZTGNLSA-N 1 1 238.306 1.700 20 10 BDCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccccc1O ZINC000843058422 588077570 /nfs/dbraw/zinc/07/75/70/588077570.db2.gz SIKIRZROYMCOJK-CYBMUJFWSA-N 1 1 234.343 1.966 20 10 BDCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccccc1O ZINC000843058422 588077571 /nfs/dbraw/zinc/07/75/71/588077571.db2.gz SIKIRZROYMCOJK-CYBMUJFWSA-N 1 1 234.343 1.966 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1[O-])C1CC([NH3+])C1 ZINC000843125620 588084064 /nfs/dbraw/zinc/08/40/64/588084064.db2.gz ZASJWVLEHBPITQ-UHFFFAOYSA-N 1 1 224.279 1.453 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)CCO ZINC000846111896 588257426 /nfs/dbraw/zinc/25/74/26/588257426.db2.gz RWSUWEZFHJWZPJ-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO CCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC000848886531 588416853 /nfs/dbraw/zinc/41/68/53/588416853.db2.gz WWZUXEDEEYYCMK-SNVBAGLBSA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC000848886531 588416854 /nfs/dbraw/zinc/41/68/54/588416854.db2.gz WWZUXEDEEYYCMK-SNVBAGLBSA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000848913145 588420437 /nfs/dbraw/zinc/42/04/37/588420437.db2.gz PCMUJVNDITVAIN-QWHCGFSZSA-N 1 1 233.311 1.928 20 10 BDCDMO CCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000848913145 588420438 /nfs/dbraw/zinc/42/04/38/588420438.db2.gz PCMUJVNDITVAIN-QWHCGFSZSA-N 1 1 233.311 1.928 20 10 BDCDMO CON(C)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000850479432 588550430 /nfs/dbraw/zinc/55/04/30/588550430.db2.gz SUGQYOWMYOEIFV-SECBINFHSA-N 1 1 242.294 1.675 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn[nH]1 ZINC000862424516 589211641 /nfs/dbraw/zinc/21/16/41/589211641.db2.gz RCWFEYWURXPZSQ-UHFFFAOYSA-N 1 1 245.330 1.469 20 10 BDCDMO COc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000862444167 589214025 /nfs/dbraw/zinc/21/40/25/589214025.db2.gz YYHRCGDGOHDQCE-AOOOYVTPSA-N 1 1 249.310 1.861 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862444047 589214088 /nfs/dbraw/zinc/21/40/88/589214088.db2.gz WXGREWVCIAYBIF-AOOOYVTPSA-N 1 1 219.284 1.853 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862546177 589219674 /nfs/dbraw/zinc/21/96/74/589219674.db2.gz HYALRLSRIAXORD-VXGBXAGGSA-N 1 1 247.294 1.305 20 10 BDCDMO C[C@H]([NH3+])CN(C)Cc1c(O)ccc(Cl)c1F ZINC000863651143 589307143 /nfs/dbraw/zinc/30/71/43/589307143.db2.gz BJIUVNWWRAICPX-ZETCQYMHSA-N 1 1 246.713 1.964 20 10 BDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202207 589744549 /nfs/dbraw/zinc/74/45/49/589744549.db2.gz AFNOUPXQFHCZLW-GFCCVEGCSA-N 1 1 246.310 1.329 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC000876522912 590207753 /nfs/dbraw/zinc/20/77/53/590207753.db2.gz GGZBIDMQKNNZDW-LLVKDONJSA-N 1 1 234.299 1.008 20 10 BDCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000876539520 590212304 /nfs/dbraw/zinc/21/23/04/590212304.db2.gz JOISNHINMFTXJH-LBPRGKRZSA-N 1 1 248.326 1.540 20 10 BDCDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(N)cc1 ZINC000877077219 590278870 /nfs/dbraw/zinc/27/88/70/590278870.db2.gz ZMZJGBZCHJMWJR-NSHDSACASA-N 1 1 247.342 1.573 20 10 BDCDMO Cc1ccc(C[N@@H+](C)CC2CC(O)C2)c(O)c1 ZINC000877466113 590333636 /nfs/dbraw/zinc/33/36/36/590333636.db2.gz XWLZLBVBXHWJSC-UHFFFAOYSA-N 1 1 235.327 1.903 20 10 BDCDMO Oc1cccc2c1C[N@H+](Cc1cn[nH]c1)C2 ZINC000877703240 590396773 /nfs/dbraw/zinc/39/67/73/590396773.db2.gz XVKQXPBFLSJPLR-UHFFFAOYSA-N 1 1 215.256 1.631 20 10 BDCDMO Oc1cccc2c1C[N@@H+](Cc1cn[nH]c1)C2 ZINC000877703240 590396776 /nfs/dbraw/zinc/39/67/76/590396776.db2.gz XVKQXPBFLSJPLR-UHFFFAOYSA-N 1 1 215.256 1.631 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)N1 ZINC000023477146 590844606 /nfs/dbraw/zinc/84/46/06/590844606.db2.gz LHONBGORYCTZFI-PHIMTYICSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)N1 ZINC000023477146 590844609 /nfs/dbraw/zinc/84/46/09/590844609.db2.gz LHONBGORYCTZFI-PHIMTYICSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883147140 591552098 /nfs/dbraw/zinc/55/20/98/591552098.db2.gz LSCJFHCQNMVSFC-WVSHTKLVSA-N 1 1 243.253 1.673 20 10 BDCDMO C[C@@H]1CN(Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC000132482175 591713830 /nfs/dbraw/zinc/71/38/30/591713830.db2.gz QGQXCGVMCOPHAX-SECBINFHSA-N 1 1 240.734 1.839 20 10 BDCDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000136822214 592151392 /nfs/dbraw/zinc/15/13/92/592151392.db2.gz JDVONYTWGVEICU-VXGBXAGGSA-N 1 1 235.327 1.985 20 10 BDCDMO C[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886509987 592240334 /nfs/dbraw/zinc/24/03/34/592240334.db2.gz OIOYBVBETSUOGR-HTQZYQBOSA-N 1 1 213.252 1.563 20 10 BDCDMO C[NH2+]C[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000219964164 592269299 /nfs/dbraw/zinc/26/92/99/592269299.db2.gz VKKMXWZKILFJTH-SNVBAGLBSA-N 1 1 238.306 1.573 20 10 BDCDMO COC[C@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886607307 592274667 /nfs/dbraw/zinc/27/46/67/592274667.db2.gz OZQMYZNOVADCFP-RKDXNWHRSA-N 1 1 243.278 1.189 20 10 BDCDMO CC[C@H]([NH2+][C@H]1CNOC1)c1ccc(F)cc1O ZINC000925866457 635568912 /nfs/dbraw/zinc/56/89/12/635568912.db2.gz LQCVOTSFTZAUCL-ONGXEEELSA-N 1 1 240.278 1.475 20 10 BDCDMO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1O ZINC000895117721 636064200 /nfs/dbraw/zinc/06/42/00/636064200.db2.gz VQQCMSYZAWLOIH-HBNTYKKESA-N 1 1 248.326 1.490 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440127 636627770 /nfs/dbraw/zinc/62/77/70/636627770.db2.gz DRMMRAQJFIGLOK-AOOOYVTPSA-N 1 1 219.284 1.853 20 10 BDCDMO Cc1cccc(C[NH2+]CC2(N)CC2)c1O ZINC000904449916 637414750 /nfs/dbraw/zinc/41/47/50/637414750.db2.gz NAFYNTVWIPYRHZ-UHFFFAOYSA-N 1 1 206.289 1.282 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@@H]1CO ZINC000191179426 641906134 /nfs/dbraw/zinc/90/61/34/641906134.db2.gz ZVPANAHJGCLZTH-ZYHUDNBSSA-N 1 1 221.300 1.595 20 10 BDCDMO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090320320 643200391 /nfs/dbraw/zinc/20/03/91/643200391.db2.gz PSEWQDCDKADKLK-ZIAGYGMSSA-N 1 1 245.370 1.404 20 10 BDCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000194157296 644305267 /nfs/dbraw/zinc/30/52/67/644305267.db2.gz CZKUHPQWGQPNTD-GFCCVEGCSA-N 1 1 234.343 1.973 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCO1 ZINC000194157296 644305270 /nfs/dbraw/zinc/30/52/70/644305270.db2.gz CZKUHPQWGQPNTD-GFCCVEGCSA-N 1 1 234.343 1.973 20 10 BDCDMO Cc1cc(CN2CCC([NH3+])CC2)ccc1N(C)C ZINC000923277201 644306333 /nfs/dbraw/zinc/30/63/33/644306333.db2.gz MIJGKFVQAWUJGY-UHFFFAOYSA-N 1 1 247.386 1.984 20 10 BDCDMO C[N@H+](CCN1CCCC1)Cc1ccccc1O ZINC000089912290 644571368 /nfs/dbraw/zinc/57/13/68/644571368.db2.gz NBSCNHSSQCAJFX-UHFFFAOYSA-N 1 1 234.343 1.920 20 10 BDCDMO C[N@@H+](CCN1CCCC1)Cc1ccccc1O ZINC000089912290 644571371 /nfs/dbraw/zinc/57/13/71/644571371.db2.gz NBSCNHSSQCAJFX-UHFFFAOYSA-N 1 1 234.343 1.920 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CNOC1)c1ccc(F)cc1O ZINC000925861325 646514321 /nfs/dbraw/zinc/51/43/21/646514321.db2.gz AOVGHYKYASMMHG-IONNQARKSA-N 1 1 226.251 1.085 20 10 BDCDMO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000386108816 711022366 /nfs/dbraw/zinc/02/23/66/711022366.db2.gz LCDURRBYRSSPMM-IUODEOHRSA-N 1 1 247.386 1.840 20 10 BDCDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000226086998 711789370 /nfs/dbraw/zinc/78/93/70/711789370.db2.gz ZIUBKZYTGDRNGM-GFCCVEGCSA-N 1 1 248.330 1.485 20 10 BDCDMO CN(C)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000701495902 712024973 /nfs/dbraw/zinc/02/49/73/712024973.db2.gz YDQGNWSBNOKBGY-UHFFFAOYSA-N 1 1 246.354 1.804 20 10 BDCDMO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708443657 712195250 /nfs/dbraw/zinc/19/52/50/712195250.db2.gz RJCGRQFZZWYNRE-MGCOHNPYSA-N 1 1 243.253 1.937 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000708536310 712211632 /nfs/dbraw/zinc/21/16/32/712211632.db2.gz ZOHXHLFRMOJOJD-GHMZBOCLSA-N 1 1 243.253 1.673 20 10 BDCDMO C[C@@H]1[C@H](C)NCC[N@@H+]1Cc1ccccc1O ZINC000379445589 712384980 /nfs/dbraw/zinc/38/49/80/712384980.db2.gz WWYVHIASCSBOMC-WDEREUQCSA-N 1 1 220.316 1.574 20 10 BDCDMO C[C@@H]1[C@H](C)NCC[N@H+]1Cc1ccccc1O ZINC000379445589 712384982 /nfs/dbraw/zinc/38/49/82/712384982.db2.gz WWYVHIASCSBOMC-WDEREUQCSA-N 1 1 220.316 1.574 20 10 BDCDMO Cc1ccc(C[N@H+](C)C2(C)COC2)c(O)c1 ZINC001140950972 960759641 /nfs/dbraw/zinc/75/96/41/960759641.db2.gz RGYVSKAJIJESLI-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO C[N@H+](Cc1cc(O)ccc1O)CC1COC1 ZINC001141159340 960895152 /nfs/dbraw/zinc/89/51/52/960895152.db2.gz FHGCZCPRLYHXJA-UHFFFAOYSA-N 1 1 223.272 1.176 20 10 BDCDMO [NH3+][C@@H]1CCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001236174439 979435324 /nfs/dbraw/zinc/43/53/24/979435324.db2.gz QOHCNNSQEOVEJS-SECBINFHSA-N 1 1 244.697 1.718 20 10 BDCDMO Nc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147966 972393340 /nfs/dbraw/zinc/39/33/40/972393340.db2.gz GGVASMSWZOWXRK-OAHLLOKOSA-N 1 1 245.370 1.844 20 10 BDCDMO Nc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147965 972394081 /nfs/dbraw/zinc/39/40/81/972394081.db2.gz GGVASMSWZOWXRK-HNNXBMFYSA-N 1 1 245.370 1.844 20 10 BDCDMO Cc1ccc(O)c(C[NH+]2CCN(C#N)CC2)c1 ZINC001140624188 959226560 /nfs/dbraw/zinc/22/65/60/959226560.db2.gz JWMXTDZWGOGROQ-UHFFFAOYSA-N 1 1 231.299 1.299 20 10 BDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](F)C1)OCO2 ZINC000689857749 959347133 /nfs/dbraw/zinc/34/71/33/959347133.db2.gz GAUOXBXHELNZRN-SECBINFHSA-N 1 1 239.246 1.665 20 10 BDCDMO 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584040707 /nfs/dbraw/zinc/04/07/07/584040707.db2.gz UKYCONJMBNVKLS-QPUJVOFHSA-N 1 1 241.718 1.858 20 10 BDCDMO OC[C@@H]1CC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000902630399 584647153 /nfs/dbraw/zinc/64/71/53/584647153.db2.gz AUARUIYIWYVZFK-AWEZNQCLSA-N 1 1 247.338 1.838 20 10 BDCDMO CC[C@H](N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817980649 584994575 /nfs/dbraw/zinc/99/45/75/584994575.db2.gz WFAXKQLJADDYJS-QWRGUYRKSA-N 1 1 220.316 1.706 20 10 BDCDMO CC(=O)NCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000741447870 585114136 /nfs/dbraw/zinc/11/41/36/585114136.db2.gz QXQFWYQBIRUOKC-UHFFFAOYSA-N 1 1 249.358 1.321 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)C2CC(O)C2)cc1 ZINC000761223406 585412424 /nfs/dbraw/zinc/41/24/24/585412424.db2.gz QMDXPUDAYCWDDV-UHFFFAOYSA-N 1 1 234.343 1.708 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](CCO)C1CC1 ZINC000768330170 585535868 /nfs/dbraw/zinc/53/58/68/585535868.db2.gz OHRLWNBOVDQZSU-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000769469063 585557786 /nfs/dbraw/zinc/55/77/86/585557786.db2.gz RFMMUKZWFOEEQR-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000769469063 585557787 /nfs/dbraw/zinc/55/77/87/585557787.db2.gz RFMMUKZWFOEEQR-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO COc1cccc(O)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770396046 585573749 /nfs/dbraw/zinc/57/37/49/585573749.db2.gz YEDGDTPMKQPWST-QWRGUYRKSA-N 1 1 248.326 1.052 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](CC)CC(N)=O)cc1 ZINC000773887215 585646035 /nfs/dbraw/zinc/64/60/35/585646035.db2.gz DNZIXCAAQOYENH-UHFFFAOYSA-N 1 1 249.358 1.450 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000788268491 585920114 /nfs/dbraw/zinc/92/01/14/585920114.db2.gz DLEGAVLLHHKIBJ-RISCZKNCSA-N 1 1 234.343 1.708 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000793620588 586024317 /nfs/dbraw/zinc/02/43/17/586024317.db2.gz WZYJIWTYZQWTJF-OLZOCXBDSA-N 1 1 233.311 1.982 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000793620588 586024318 /nfs/dbraw/zinc/02/43/18/586024318.db2.gz WZYJIWTYZQWTJF-OLZOCXBDSA-N 1 1 233.311 1.982 20 10 BDCDMO C[N@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000799739612 586195814 /nfs/dbraw/zinc/19/58/14/586195814.db2.gz MIXRFNNVKRIRKL-UHFFFAOYSA-N 1 1 247.697 1.999 20 10 BDCDMO C[N@@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000799739612 586195815 /nfs/dbraw/zinc/19/58/15/586195815.db2.gz MIXRFNNVKRIRKL-UHFFFAOYSA-N 1 1 247.697 1.999 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802661478 586308493 /nfs/dbraw/zinc/30/84/93/586308493.db2.gz QMOUUZNNMQBOKO-ZDUSSCGKSA-N 1 1 239.290 1.607 20 10 BDCDMO C[C@@H](CO)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809742503 586516219 /nfs/dbraw/zinc/51/62/19/586516219.db2.gz AGZCASJPHUNKRM-ZETCQYMHSA-N 1 1 247.697 1.997 20 10 BDCDMO C[C@@H](CO)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000809742503 586516220 /nfs/dbraw/zinc/51/62/20/586516220.db2.gz AGZCASJPHUNKRM-ZETCQYMHSA-N 1 1 247.697 1.997 20 10 BDCDMO CCNCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817951985 586848324 /nfs/dbraw/zinc/84/83/24/586848324.db2.gz MMTDSDPECMJLBH-LLVKDONJSA-N 1 1 222.332 1.961 20 10 BDCDMO C[C@H](NC1C[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817956114 586850052 /nfs/dbraw/zinc/85/00/52/586850052.db2.gz QXRHFSCZKXVYCS-LURJTMIESA-N 1 1 228.242 1.293 20 10 BDCDMO C[C@H](NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817958522 586850610 /nfs/dbraw/zinc/85/06/10/586850610.db2.gz WPLYWENEEABAMI-FZMZJTMJSA-N 1 1 233.359 1.541 20 10 BDCDMO CC(C)(N)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817960870 586852025 /nfs/dbraw/zinc/85/20/25/586852025.db2.gz SBGNDKGQAYFGSV-SNVBAGLBSA-N 1 1 220.316 1.706 20 10 BDCDMO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000817969218 586856463 /nfs/dbraw/zinc/85/64/63/586856463.db2.gz SDFDXCQHKTUGKH-RTXFEEFZSA-N 1 1 246.354 1.967 20 10 BDCDMO Cc1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1C ZINC000817977073 586860876 /nfs/dbraw/zinc/86/08/76/586860876.db2.gz AHVIDJZNZGOVHZ-SCUASFONSA-N 1 1 246.354 1.877 20 10 BDCDMO Oc1ccccc1C[NH2+]C(CF)CF ZINC000824555033 587275926 /nfs/dbraw/zinc/27/59/26/587275926.db2.gz PKOWXLHSSIKYAR-UHFFFAOYSA-N 1 1 201.216 1.789 20 10 BDCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825256963 587311189 /nfs/dbraw/zinc/31/11/89/587311189.db2.gz OTDPEJSTMNIOSP-OCAPTIKFSA-N 1 1 245.681 1.798 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293012 587375877 /nfs/dbraw/zinc/37/58/77/587375877.db2.gz VQNHXTJDPAOTHI-WCQYABFASA-N 1 1 219.284 1.349 20 10 BDCDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1O ZINC000827936828 587410999 /nfs/dbraw/zinc/41/09/99/587410999.db2.gz DARVTNUONIKZOJ-ZYHUDNBSSA-N 1 1 248.326 1.664 20 10 BDCDMO C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841052048 587939743 /nfs/dbraw/zinc/93/97/43/587939743.db2.gz UFVLYIXZSNREDL-MRVPVSSYSA-N 1 1 228.723 1.873 20 10 BDCDMO C[C@@H](CN)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841064142 587942231 /nfs/dbraw/zinc/94/22/31/587942231.db2.gz UJBGNCBHADCKJF-VIFPVBQESA-N 1 1 225.311 1.329 20 10 BDCDMO CC[C@H](N)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000841073577 587943956 /nfs/dbraw/zinc/94/39/56/587943956.db2.gz ZZFNVUUHVMCYRV-LBPRGKRZSA-N 1 1 222.332 1.836 20 10 BDCDMO CC[C@H]([NH3+])CNCc1cc(C)c(C)cc1O ZINC000841073577 587943957 /nfs/dbraw/zinc/94/39/57/587943957.db2.gz ZZFNVUUHVMCYRV-LBPRGKRZSA-N 1 1 222.332 1.836 20 10 BDCDMO CC[C@@H](N)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000841073576 587944410 /nfs/dbraw/zinc/94/44/10/587944410.db2.gz ZZFNVUUHVMCYRV-GFCCVEGCSA-N 1 1 222.332 1.836 20 10 BDCDMO CC[C@@H]([NH3+])CNCc1cc(C)c(C)cc1O ZINC000841073576 587944411 /nfs/dbraw/zinc/94/44/11/587944411.db2.gz ZZFNVUUHVMCYRV-GFCCVEGCSA-N 1 1 222.332 1.836 20 10 BDCDMO CCOc1ccc(O)c(CN[C@H](C)[C@@H](C)[NH3+])c1 ZINC000841080756 587944644 /nfs/dbraw/zinc/94/46/44/587944644.db2.gz QHSHZOVPKPUGJE-NXEZZACHSA-N 1 1 238.331 1.616 20 10 BDCDMO Cc1ccc(O)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841077278 587944997 /nfs/dbraw/zinc/94/49/97/587944997.db2.gz HOLTZIDYCJRRJU-PJXYFTJBSA-N 1 1 218.300 1.008 20 10 BDCDMO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058045 588077633 /nfs/dbraw/zinc/07/76/33/588077633.db2.gz NZRRFYRTVYDVOW-NXEZZACHSA-N 1 1 238.306 1.700 20 10 BDCDMO C[N@@H+](Cc1cccc(F)c1[O-])CC(C)(C)C[NH3+] ZINC000843056441 588077748 /nfs/dbraw/zinc/07/77/48/588077748.db2.gz KAUDENMQMOCDFL-UHFFFAOYSA-N 1 1 240.322 1.948 20 10 BDCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC([NH3+])C1 ZINC000843125041 588083467 /nfs/dbraw/zinc/08/34/67/588083467.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 1 1 240.734 1.967 20 10 BDCDMO CN(Cc1cc(Cl)cc(F)c1O)C1C[NH2+]C1 ZINC000843124898 588083597 /nfs/dbraw/zinc/08/35/97/588083597.db2.gz OWQCVUKEBMTSRF-UHFFFAOYSA-N 1 1 244.697 1.588 20 10 BDCDMO C[C@@]1(F)CNCC[N@H+](Cc2ccccc2O)C1 ZINC000843124402 588083835 /nfs/dbraw/zinc/08/38/35/588083835.db2.gz AEWFUQDWQFXORV-CYBMUJFWSA-N 1 1 238.306 1.526 20 10 BDCDMO C[C@@]1(F)CNCC[N@@H+](Cc2ccccc2O)C1 ZINC000843124402 588083837 /nfs/dbraw/zinc/08/38/37/588083837.db2.gz AEWFUQDWQFXORV-CYBMUJFWSA-N 1 1 238.306 1.526 20 10 BDCDMO C[C@@H]1CNC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127148 588085284 /nfs/dbraw/zinc/08/52/84/588085284.db2.gz ZRQPHGCBKYBMQS-SMDDNHRTSA-N 1 1 233.359 1.399 20 10 BDCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)c1O ZINC000848890002 588417646 /nfs/dbraw/zinc/41/76/46/588417646.db2.gz ONULVZXVBWYJPD-GFCCVEGCSA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCNC2=O)c1O ZINC000848890004 588417661 /nfs/dbraw/zinc/41/76/61/588417661.db2.gz ONULVZXVBWYJPD-LBPRGKRZSA-N 1 1 248.326 1.275 20 10 BDCDMO OC/C=C\C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850357988 588539295 /nfs/dbraw/zinc/53/92/95/588539295.db2.gz XYXHBWSPRLFMTA-UPHRSURJSA-N 1 1 245.681 1.823 20 10 BDCDMO CC[N@@H+](CCO)Cc1ccc(C)cc1O ZINC000876527299 590208949 /nfs/dbraw/zinc/20/89/49/590208949.db2.gz YZZHFNNFXMKANG-UHFFFAOYSA-N 1 1 209.289 1.515 20 10 BDCDMO Cc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876713629 590232758 /nfs/dbraw/zinc/23/27/58/590232758.db2.gz LWFNSLHWXQBLGS-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(O)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000876714005 590232803 /nfs/dbraw/zinc/23/28/03/590232803.db2.gz SAGWKUJXWZEMMU-CYBMUJFWSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000876714005 590232804 /nfs/dbraw/zinc/23/28/04/590232804.db2.gz SAGWKUJXWZEMMU-CYBMUJFWSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCN2CCC[C@@H]2C1 ZINC000876714005 590232805 /nfs/dbraw/zinc/23/28/05/590232805.db2.gz SAGWKUJXWZEMMU-CYBMUJFWSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000877433984 590326839 /nfs/dbraw/zinc/32/68/39/590326839.db2.gz LCLVUBDQFLSKHU-DGCLKSJQSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@@H](C)CO)c(O)c1 ZINC000877525822 590347560 /nfs/dbraw/zinc/34/75/60/590347560.db2.gz COZVQYJSKMLKPW-JTQLQIEISA-N 1 1 209.289 1.513 20 10 BDCDMO CC[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886489736 592235911 /nfs/dbraw/zinc/23/59/11/592235911.db2.gz POEJCEFRAIURLA-RKDXNWHRSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@@H]([NH2+]CC[C@H](C)O)c1c(O)cccc1F ZINC000886528368 592245866 /nfs/dbraw/zinc/24/58/66/592245866.db2.gz KYTYRYSAZGNXQB-DTWKUNHWSA-N 1 1 227.279 1.953 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](N)C2)c1 ZINC000300050388 592501633 /nfs/dbraw/zinc/50/16/33/592501633.db2.gz ZKHSCGZQBRARRE-ZYHUDNBSSA-N 1 1 220.316 1.480 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](N)C2)c1 ZINC000300050388 592501635 /nfs/dbraw/zinc/50/16/35/592501635.db2.gz ZKHSCGZQBRARRE-ZYHUDNBSSA-N 1 1 220.316 1.480 20 10 BDCDMO C[C@H]([NH2+][C@H]1CNOC1)c1cc(F)cc(F)c1O ZINC000925870113 635580645 /nfs/dbraw/zinc/58/06/45/635580645.db2.gz UIEFDZKARCWWOC-XPUUQOCRSA-N 1 1 244.241 1.224 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000179569105 632746520 /nfs/dbraw/zinc/74/65/20/632746520.db2.gz FXLLMKFSAJUXOS-UHFFFAOYSA-N 1 1 235.283 1.341 20 10 BDCDMO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)n[nH]1 ZINC000041015640 636950123 /nfs/dbraw/zinc/95/01/23/636950123.db2.gz GVIMLNRIQJKKLC-UHFFFAOYSA-N 1 1 229.283 1.634 20 10 BDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000228356043 640872517 /nfs/dbraw/zinc/87/25/17/640872517.db2.gz SMCRVUWEJIXKIS-ZDUSSCGKSA-N 1 1 248.326 1.411 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(F)cc1O ZINC000087783770 641037248 /nfs/dbraw/zinc/03/72/48/641037248.db2.gz GSDUQCYMOQLTPU-WCBMZHEXSA-N 1 1 225.263 1.971 20 10 BDCDMO COC(OC)[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000158776036 641649806 /nfs/dbraw/zinc/64/98/06/641649806.db2.gz WKPNOXKJKSXIIL-QMMMGPOBSA-N 1 1 243.278 1.628 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000190068747 641833678 /nfs/dbraw/zinc/83/36/78/641833678.db2.gz DMQRZQCTPULYJG-DGCLKSJQSA-N 1 1 235.327 1.903 20 10 BDCDMO C[N@H+](Cc1cnccn1)Cc1cc(F)ccc1O ZINC000180002283 642762645 /nfs/dbraw/zinc/76/26/45/642762645.db2.gz XLBGMAQSJLOIBC-UHFFFAOYSA-N 1 1 247.273 1.953 20 10 BDCDMO C[N@@H+](Cc1cnccn1)Cc1cc(F)ccc1O ZINC000180002283 642762647 /nfs/dbraw/zinc/76/26/47/642762647.db2.gz XLBGMAQSJLOIBC-UHFFFAOYSA-N 1 1 247.273 1.953 20 10 BDCDMO CNC(=O)CC[N@@H+](C)Cc1cccc(C)c1O ZINC000180030308 642765408 /nfs/dbraw/zinc/76/54/08/642765408.db2.gz ZMUIDPWAPHUSSQ-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000180197288 642777491 /nfs/dbraw/zinc/77/74/91/642777491.db2.gz WXFZNDAYUURPRP-ZDUSSCGKSA-N 1 1 221.300 1.657 20 10 BDCDMO C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000083356449 643438598 /nfs/dbraw/zinc/43/85/98/643438598.db2.gz RDUPPONKBCCIHB-UHFFFAOYSA-N 1 1 228.723 1.745 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC000249039819 644709601 /nfs/dbraw/zinc/70/96/01/644709601.db2.gz CYVDFJJFHIDGLN-SKDRFNHKSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1O ZINC000249958453 644745957 /nfs/dbraw/zinc/74/59/57/644745957.db2.gz JKRKDOHPOANPPD-CMPLNLGQSA-N 1 1 221.300 1.595 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCN[C@@H](C)C2)c1 ZINC000083814061 711810127 /nfs/dbraw/zinc/81/01/27/711810127.db2.gz JFWZSKPYFWRNAJ-NSHDSACASA-N 1 1 220.316 1.494 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN[C@@H](C)C2)c1 ZINC000083814061 711810128 /nfs/dbraw/zinc/81/01/28/711810128.db2.gz JFWZSKPYFWRNAJ-NSHDSACASA-N 1 1 220.316 1.494 20 10 BDCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](C)O ZINC000708535841 712211982 /nfs/dbraw/zinc/21/19/82/712211982.db2.gz QVFBBKVLGHYADE-WRWORJQWSA-N 1 1 245.269 1.919 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]Cc2cnn(C)n2)c1 ZINC000389820098 711090425 /nfs/dbraw/zinc/09/04/25/711090425.db2.gz CAJNESOFMIEMKA-UHFFFAOYSA-N 1 1 232.287 1.119 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000708441043 712194853 /nfs/dbraw/zinc/19/48/53/712194853.db2.gz HWJMQSIXEHBCHX-NSHDSACASA-N 1 1 243.253 1.531 20 10 BDCDMO COc1ccc(O)c(C[NH2+]Cc2n[nH]cc2C)c1 ZINC000716455876 712562328 /nfs/dbraw/zinc/56/23/28/712562328.db2.gz DNRVMVIMHNNPPE-UHFFFAOYSA-N 1 1 247.298 1.722 20 10 BDCDMO COc1ccc(C[NH2+]Cc2n[nH]cc2C)c(O)c1 ZINC000716457020 712562600 /nfs/dbraw/zinc/56/26/00/712562600.db2.gz MGBGAMQYZFXMAL-UHFFFAOYSA-N 1 1 247.298 1.722 20 10 BDCDMO OC[C@H]([NH2+]Cc1cccc(F)c1O)C1CCC1 ZINC000717627572 712661735 /nfs/dbraw/zinc/66/17/35/712661735.db2.gz XOPDOGKIFDTCRQ-LBPRGKRZSA-N 1 1 239.290 1.782 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(O)ccc1O ZINC001141155924 960406804 /nfs/dbraw/zinc/40/68/04/960406804.db2.gz AVJVUQWTHSIOTG-KCJUWKMLSA-N 1 1 223.272 1.053 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(N)C2)c1O ZINC001236022894 966234732 /nfs/dbraw/zinc/23/47/32/966234732.db2.gz AZBBGEVZXYDWHA-DGCLKSJQSA-N 1 1 218.300 1.234 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(N)C2)c1O ZINC001236022894 966234749 /nfs/dbraw/zinc/23/47/49/966234749.db2.gz AZBBGEVZXYDWHA-DGCLKSJQSA-N 1 1 218.300 1.234 20 10 BDCDMO CCOc1cccc(C[N@H+](C)CC(C)=O)c1O ZINC001203602113 966698903 /nfs/dbraw/zinc/69/89/03/966698903.db2.gz AGMQIKOHJNCIFS-UHFFFAOYSA-N 1 1 237.299 1.812 20 10 BDCDMO CCOc1cccc(C[N@@H+](C)CC(C)=O)c1O ZINC001203602113 966698910 /nfs/dbraw/zinc/69/89/10/966698910.db2.gz AGMQIKOHJNCIFS-UHFFFAOYSA-N 1 1 237.299 1.812 20 10 BDCDMO Oc1cccc2c1C[N@@H+](Cc1ccnnc1)CC2 ZINC001139985384 957295087 /nfs/dbraw/zinc/29/50/87/957295087.db2.gz PXPOVALFMUEUOG-UHFFFAOYSA-N 1 1 241.294 1.741 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCN3CC[C@H]3C2)c1 ZINC001140624089 959223431 /nfs/dbraw/zinc/22/34/31/959223431.db2.gz FSSDNVCQQVXOAO-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001140624089 959223446 /nfs/dbraw/zinc/22/34/46/959223446.db2.gz FSSDNVCQQVXOAO-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1ccc(O)c(CN2CC[N@H+]3CC[C@H]3C2)c1 ZINC001140624089 959223462 /nfs/dbraw/zinc/22/34/62/959223462.db2.gz FSSDNVCQQVXOAO-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@@H](F)C2)c1O ZINC000689863350 959537464 /nfs/dbraw/zinc/53/74/64/959537464.db2.gz PNBQRBREEBNTFF-SNVBAGLBSA-N 1 1 225.263 1.945 20 10 BDCDMO Oc1ccc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)c1 ZINC001141155961 960406937 /nfs/dbraw/zinc/40/69/37/960406937.db2.gz CANAZBGYSFEUAQ-GFCCVEGCSA-N 1 1 237.299 1.445 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(O)ccc1O ZINC001141155925 960408107 /nfs/dbraw/zinc/40/81/07/960408107.db2.gz AVJVUQWTHSIOTG-LDYMZIIASA-N 1 1 223.272 1.053 20 10 BDCDMO COC1(C)C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742399 960544589 /nfs/dbraw/zinc/54/45/89/960544589.db2.gz MUIZICDFQYQBNQ-UHFFFAOYSA-N 1 1 237.299 1.627 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001140750960 960549149 /nfs/dbraw/zinc/54/91/49/960549149.db2.gz DTIXCPOJMKNGBE-VXGBXAGGSA-N 1 1 249.310 1.769 20 10 BDCDMO Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c1O ZINC001140750960 960549156 /nfs/dbraw/zinc/54/91/56/960549156.db2.gz DTIXCPOJMKNGBE-VXGBXAGGSA-N 1 1 249.310 1.769 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001140948202 960748885 /nfs/dbraw/zinc/74/88/85/960748885.db2.gz YANIUUQRYWXAEB-BXUZGUMPSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001140947958 960749002 /nfs/dbraw/zinc/74/90/02/960749002.db2.gz MZOCUJZQKHGEPW-AWEZNQCLSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c(O)c1 ZINC001140957505 960755925 /nfs/dbraw/zinc/75/59/25/960755925.db2.gz BWDFCVJBYBBCOU-UHFFFAOYSA-N 1 1 246.354 1.838 20 10 BDCDMO COC(=O)CC[N@@H+](C)Cc1ccc(C)cc1O ZINC001140957717 960758210 /nfs/dbraw/zinc/75/82/10/960758210.db2.gz LDNPNJYUFZMTJE-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CC[N@@H+](Cc1ccc(C)cc1O)C1COC1 ZINC001140950878 960759876 /nfs/dbraw/zinc/75/98/76/960759876.db2.gz MPUIMWSLDSMCFN-UHFFFAOYSA-N 1 1 221.300 1.921 20 10 BDCDMO COC(C[N@@H+](C)Cc1cc(O)ccc1O)OC ZINC001141161154 960894257 /nfs/dbraw/zinc/89/42/57/960894257.db2.gz MYTGLSOAOLCTAZ-UHFFFAOYSA-N 1 1 241.287 1.149 20 10 BDCDMO CN(Cc1cc(O)ccc1O)[C@H]1CC[N@@H+](C)C1 ZINC001141159242 960895895 /nfs/dbraw/zinc/89/58/95/960895895.db2.gz DJOVIDSPMSNYCU-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO CN1CC[C@H]([N@H+](C)Cc2cc(O)ccc2O)C1 ZINC001141159242 960895896 /nfs/dbraw/zinc/89/58/96/960895896.db2.gz DJOVIDSPMSNYCU-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO CN1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2O)C1 ZINC001141159242 960895898 /nfs/dbraw/zinc/89/58/98/960895898.db2.gz DJOVIDSPMSNYCU-NSHDSACASA-N 1 1 236.315 1.234 20 10 BDCDMO Oc1ccc(O)c(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC001141158791 960896237 /nfs/dbraw/zinc/89/62/37/960896237.db2.gz NLTNHMGSLNMSQT-GFCCVEGCSA-N 1 1 248.326 1.378 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001141160970 960896582 /nfs/dbraw/zinc/89/65/82/960896582.db2.gz LGHQPCKYULOYGG-TVQRCGJNSA-N 1 1 235.283 1.319 20 10 BDCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001142508785 964340660 /nfs/dbraw/zinc/34/06/60/964340660.db2.gz LJQSFQCWPNCMLD-MRVPVSSYSA-N 1 1 229.226 1.237 20 10 BDCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001142508785 964340672 /nfs/dbraw/zinc/34/06/72/964340672.db2.gz LJQSFQCWPNCMLD-MRVPVSSYSA-N 1 1 229.226 1.237 20 10 BDCDMO Oc1ccccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001203550219 966677654 /nfs/dbraw/zinc/67/76/54/966677654.db2.gz MVAXGJJKWKYRQR-DGCLKSJQSA-N 1 1 219.284 1.755 20 10 BDCDMO Cn1ncc2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC001203558700 966686665 /nfs/dbraw/zinc/68/66/65/966686665.db2.gz WTFDVAZLNJPKIJ-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO Oc1ccccc1C[N@H+]1CCCC12COC2 ZINC001203556956 966688901 /nfs/dbraw/zinc/68/89/01/966688901.db2.gz XMDOLDDJQLZMGD-UHFFFAOYSA-N 1 1 219.284 1.757 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001203620430 966711025 /nfs/dbraw/zinc/71/10/25/966711025.db2.gz FMIWVPWPDDSJID-TVQRCGJNSA-N 1 1 237.299 1.213 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001203628575 966712676 /nfs/dbraw/zinc/71/26/76/966712676.db2.gz CXMZUQSFGSTKCF-TXEJJXNPSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001203628575 966712685 /nfs/dbraw/zinc/71/26/85/966712685.db2.gz CXMZUQSFGSTKCF-TXEJJXNPSA-N 1 1 235.283 1.374 20 10 BDCDMO COc1ccc(C[N@H+](C)C2COC2)c(O)c1 ZINC001203628043 966716598 /nfs/dbraw/zinc/71/65/98/966716598.db2.gz WNNTZSYMPVLTKO-UHFFFAOYSA-N 1 1 223.272 1.231 20 10 BDCDMO COc1ccc(C[N@@H+](C)C2COC2)c(O)c1 ZINC001203628043 966716612 /nfs/dbraw/zinc/71/66/12/966716612.db2.gz WNNTZSYMPVLTKO-UHFFFAOYSA-N 1 1 223.272 1.231 20 10 BDCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203875735 966804795 /nfs/dbraw/zinc/80/47/95/966804795.db2.gz TWHZAOUQXYHMDI-MWLCHTKSSA-N 1 1 237.299 1.443 20 10 BDCDMO Oc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC001203879647 966805817 /nfs/dbraw/zinc/80/58/17/966805817.db2.gz WIRQEKRNVSVDMK-GFCCVEGCSA-N 1 1 248.326 1.378 20 10 BDCDMO C[C@]1(O)CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875582 966806444 /nfs/dbraw/zinc/80/64/44/966806444.db2.gz QSIBKRDAWNWELC-LBPRGKRZSA-N 1 1 223.272 1.055 20 10 BDCDMO CN1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204273067 966949587 /nfs/dbraw/zinc/94/95/87/966949587.db2.gz WGEMPULNRRSYRC-UHFFFAOYSA-N 1 1 236.315 1.235 20 10 BDCDMO C[N@@H+]1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204273067 966949596 /nfs/dbraw/zinc/94/95/96/966949596.db2.gz WGEMPULNRRSYRC-UHFFFAOYSA-N 1 1 236.315 1.235 20 10 BDCDMO C[N@H+]1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204273067 966949604 /nfs/dbraw/zinc/94/96/04/966949604.db2.gz WGEMPULNRRSYRC-UHFFFAOYSA-N 1 1 236.315 1.235 20 10 BDCDMO Oc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001204277011 966954760 /nfs/dbraw/zinc/95/47/60/966954760.db2.gz VUSNZOSGNZOCEZ-PHIMTYICSA-N 1 1 235.283 1.176 20 10 BDCDMO Cn1cc(C[N@@H+](C)Cc2ccc(O)cc2O)cn1 ZINC001204273115 966956004 /nfs/dbraw/zinc/95/60/04/966956004.db2.gz YUXQOYZHGDMJQT-UHFFFAOYSA-N 1 1 247.298 1.463 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001204276586 966960201 /nfs/dbraw/zinc/96/02/01/966960201.db2.gz NTOBLMDIIASYGM-DGCLKSJQSA-N 1 1 235.283 1.461 20 10 BDCDMO CC1([NH3+])CN(Cc2ccc(F)c(F)c2O)C1 ZINC001204986152 967273757 /nfs/dbraw/zinc/27/37/57/967273757.db2.gz SFLYBULGZOIYQJ-UHFFFAOYSA-N 1 1 228.242 1.203 20 10 BDCDMO Oc1cccc2c1C[N@@H+](Cc1cnoc1)CC2 ZINC001205724431 967797017 /nfs/dbraw/zinc/79/70/17/967797017.db2.gz PBNLRYGSURPXJY-UHFFFAOYSA-N 1 1 230.267 1.939 20 10 BDCDMO CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@H](C)O ZINC001205789083 967820482 /nfs/dbraw/zinc/82/04/82/967820482.db2.gz KAOLZKNQPRBVJT-WRWORJQWSA-N 1 1 245.269 1.919 20 10 BDCDMO CC1(C[NH3+])CN(Cc2cccc(Cl)c2O)C1 ZINC001206730778 968449072 /nfs/dbraw/zinc/44/90/72/968449072.db2.gz ZQUXYUAUFFOYLI-UHFFFAOYSA-N 1 1 240.734 1.826 20 10 BDCDMO C[C@]1(CNCc2ccc(N)cc2)CCC[NH2+]C1 ZINC001120268493 968549693 /nfs/dbraw/zinc/54/96/93/968549693.db2.gz GFLFVYHTSNSLSR-AWEZNQCLSA-N 1 1 233.359 1.748 20 10 BDCDMO COC(=O)[C@H](C)C[N@H+]1CCc2cccc(O)c2C1 ZINC001208723162 969208725 /nfs/dbraw/zinc/20/87/25/969208725.db2.gz MQFTXVNPVPZLIN-SNVBAGLBSA-N 1 1 249.310 1.559 20 10 BDCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001144515831 972856780 /nfs/dbraw/zinc/85/67/80/972856780.db2.gz GOTRWJOUUJFUOG-GZMMTYOYSA-N 1 1 235.283 1.788 20 10 BDCDMO COc1ccc(N2CC3(CC[N@H+]3C)C2)cc1 ZINC001276925129 973301517 /nfs/dbraw/zinc/30/15/17/973301517.db2.gz WLGBLGJJHAHQKR-UHFFFAOYSA-N 1 1 218.300 1.590 20 10 BDCDMO Cc1ccc(C[NH2+]Cc2csnn2)c(O)c1 ZINC001330639187 974376550 /nfs/dbraw/zinc/37/65/50/974376550.db2.gz SOKOLESQKKQVGY-UHFFFAOYSA-N 1 1 235.312 1.842 20 10 BDCDMO Cc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(O)c1 ZINC001333370397 975716949 /nfs/dbraw/zinc/71/69/49/975716949.db2.gz IMDGHSXXGOKQNZ-CYBMUJFWSA-N 1 1 233.311 1.657 20 10 BDCDMO COCCC[N@@H+](CCO)Cc1ccc(N)cc1 ZINC001336287001 977620121 /nfs/dbraw/zinc/62/01/21/977620121.db2.gz VRPMDGJQSSUQBS-UHFFFAOYSA-N 1 1 238.331 1.100 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCC23COC3)c1O ZINC001231592037 977640358 /nfs/dbraw/zinc/64/03/58/977640358.db2.gz FWNCKOJIXZBDRG-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC23COC3)c1O ZINC001231592037 977640366 /nfs/dbraw/zinc/64/03/66/977640366.db2.gz FWNCKOJIXZBDRG-UHFFFAOYSA-N 1 1 219.284 1.675 20 10 BDCDMO Cc1cccc(C[N@H+]2CC(=O)NC[C@H]2C)c1O ZINC001231592040 977640407 /nfs/dbraw/zinc/64/04/07/977640407.db2.gz AKIDIGJUORTKJP-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC(=O)NC[C@H]2C)c1O ZINC001231592040 977640422 /nfs/dbraw/zinc/64/04/22/977640422.db2.gz AKIDIGJUORTKJP-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001231591057 977641699 /nfs/dbraw/zinc/64/16/99/977641699.db2.gz RJJHITWVAPYDDP-WDEREUQCSA-N 1 1 225.263 1.215 20 10 BDCDMO Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001231849178 977771903 /nfs/dbraw/zinc/77/19/03/977771903.db2.gz PSGOVFWXGXPSKA-GXTWGEPZSA-N 1 1 233.311 1.982 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001231849178 977771911 /nfs/dbraw/zinc/77/19/11/977771911.db2.gz PSGOVFWXGXPSKA-GXTWGEPZSA-N 1 1 233.311 1.982 20 10 BDCDMO Oc1c(C[NH+]2CC(O)C2)ccc2ccccc21 ZINC001231879593 977787272 /nfs/dbraw/zinc/78/72/72/977787272.db2.gz JMGMDSCEAIQSDV-UHFFFAOYSA-N 1 1 229.279 1.722 20 10 BDCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001232841219 978307890 /nfs/dbraw/zinc/30/78/90/978307890.db2.gz YSJWYYBYFPVIKB-GXTWGEPZSA-N 1 1 248.326 1.431 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001232841219 978307896 /nfs/dbraw/zinc/30/78/96/978307896.db2.gz YSJWYYBYFPVIKB-GXTWGEPZSA-N 1 1 248.326 1.431 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332596 978566456 /nfs/dbraw/zinc/56/64/56/978566456.db2.gz QIDKPGYKIQAYQG-HTQZYQBOSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233332596 978566458 /nfs/dbraw/zinc/56/64/58/978566458.db2.gz QIDKPGYKIQAYQG-HTQZYQBOSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233332596 978566463 /nfs/dbraw/zinc/56/64/63/978566463.db2.gz QIDKPGYKIQAYQG-HTQZYQBOSA-N 1 1 243.253 1.626 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483237 978613050 /nfs/dbraw/zinc/61/30/50/978613050.db2.gz RSZOPUZVZAZZBK-QMMMGPOBSA-N 1 1 223.272 1.645 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCN3CCC2CC3)c(O)c1 ZINC001204280371 978942502 /nfs/dbraw/zinc/94/25/02/978942502.db2.gz KCSBWPCBQXWGGA-UHFFFAOYSA-N 1 1 248.326 1.378 20 10 BDCDMO Oc1ccc(C[N@H+]2CCN3CCC2CC3)c(O)c1 ZINC001204280371 978942509 /nfs/dbraw/zinc/94/25/09/978942509.db2.gz KCSBWPCBQXWGGA-UHFFFAOYSA-N 1 1 248.326 1.378 20 10 BDCDMO Cc1cc(C)c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992898 979278657 /nfs/dbraw/zinc/27/86/57/979278657.db2.gz SESDVYCUEGARAY-DOMZBBRYSA-N 1 1 246.354 1.932 20 10 BDCDMO Cc1c(C[N@@H+](C)CCO)c2ccccc2n1C ZINC001236254180 979471092 /nfs/dbraw/zinc/47/10/92/979471092.db2.gz QYTOWPMRIUPAFZ-UHFFFAOYSA-N 1 1 232.327 1.911 20 10 BDCDMO CCc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001236784051 979727408 /nfs/dbraw/zinc/72/74/08/979727408.db2.gz RLJALSNWSQTWKD-IINYFYTJSA-N 1 1 235.327 1.767 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237482387 979908375 /nfs/dbraw/zinc/90/83/75/979908375.db2.gz LAMNUMCQUJWRCP-AAEUAGOBSA-N 1 1 239.290 1.605 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC001237486203 979909039 /nfs/dbraw/zinc/90/90/39/979909039.db2.gz XOIIAZZRENQFHI-UHFFFAOYSA-N 1 1 207.273 1.721 20 10 BDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC001237485800 979910082 /nfs/dbraw/zinc/91/00/82/979910082.db2.gz SYZLDKAPHQALTR-LBPRGKRZSA-N 1 1 249.310 1.838 20 10 BDCDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(N)cc1)C2 ZINC001352788641 982582241 /nfs/dbraw/zinc/58/22/41/982582241.db2.gz FVWOKKREPUSZNZ-GXTWGEPZSA-N 1 1 232.327 1.737 20 10 BDCDMO O=c1cc(C2=C[NH2+]CCC2)ccn1CC1CC1 ZINC001243951595 985656863 /nfs/dbraw/zinc/65/68/63/985656863.db2.gz IVLVBBSJKWLVMD-UHFFFAOYSA-N 1 1 230.311 1.983 20 10 BDCDMO C[NH2+]C[C@@H](C)CNCc1c(O)cccc1OC ZINC001117953178 987959304 /nfs/dbraw/zinc/95/93/04/987959304.db2.gz BVPVGQPXMPHNRD-SNVBAGLBSA-N 1 1 238.331 1.346 20 10 BDCDMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(N)cc1 ZINC001515331534 989026451 /nfs/dbraw/zinc/02/64/51/989026451.db2.gz FMONNPPYKSXWQH-UHFFFAOYSA-N 1 1 235.331 1.225 20 10 BDCDMO Oc1cccc(F)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001137839204 990858854 /nfs/dbraw/zinc/85/88/54/990858854.db2.gz WEWRPVFBBZDAMR-TVQRCGJNSA-N 1 1 237.274 1.752 20 10 BDCDMO Oc1cccc(F)c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001137839204 990858856 /nfs/dbraw/zinc/85/88/56/990858856.db2.gz WEWRPVFBBZDAMR-TVQRCGJNSA-N 1 1 237.274 1.752 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001308955017 991233057 /nfs/dbraw/zinc/23/30/57/991233057.db2.gz WNUDPAWNKQJWCS-PRHODGIISA-N 1 1 241.718 1.858 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140058324 991510702 /nfs/dbraw/zinc/51/07/02/991510702.db2.gz WWOVZAHNKOIAON-PWSUYJOCSA-N 1 1 243.253 1.436 20 10 BDCDMO Oc1ccc(F)cc1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001140056251 991511529 /nfs/dbraw/zinc/51/15/29/991511529.db2.gz NZRDVPHXOZYKOZ-GFCCVEGCSA-N 1 1 236.290 1.421 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](CO)C2)c1O ZINC001140179801 991548948 /nfs/dbraw/zinc/54/89/48/991548948.db2.gz PNDNZBLXPJLBLS-LBPRGKRZSA-N 1 1 235.327 1.823 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CC[C@](C)(O)C2)c1O ZINC001140178165 991551010 /nfs/dbraw/zinc/55/10/10/991551010.db2.gz BKHBDEMPGBQVLQ-AWEZNQCLSA-N 1 1 235.327 1.966 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC001560811244 991609639 /nfs/dbraw/zinc/60/96/39/991609639.db2.gz COQMLGAJUCUYFQ-TVQRCGJNSA-N 1 1 239.290 1.734 20 10 BDCDMO CC1(CO)C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140461737 991644119 /nfs/dbraw/zinc/64/41/19/991644119.db2.gz SJKPWHUNSXZKFK-UHFFFAOYSA-N 1 1 241.718 1.860 20 10 BDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001262486809 992891540 /nfs/dbraw/zinc/89/15/40/992891540.db2.gz BCJBKOGTGVQEIS-LLVKDONJSA-N 1 1 234.299 1.264 20 10 BDCDMO CC[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H](C)O ZINC000386746433 993695419 /nfs/dbraw/zinc/69/54/19/993695419.db2.gz FKWGRVVTJPODBI-GZMMTYOYSA-N 1 1 227.279 1.780 20 10 BDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@@H]1CO ZINC000700439449 993836183 /nfs/dbraw/zinc/83/61/83/993836183.db2.gz SRCMMJHNKODLHX-DGCLKSJQSA-N 1 1 234.343 1.719 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC001307638538 995422205 /nfs/dbraw/zinc/42/22/05/995422205.db2.gz OZUNIUNADUHXBB-SWLSCSKDSA-N 1 1 248.370 1.955 20 10 BDCDMO CCN1CC[N@H+](Cc2cccc(C)c2O)CC1=O ZINC000273512831 351534073 /nfs/dbraw/zinc/53/40/73/351534073.db2.gz REHHMYOZYJEVPN-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO CCN1CC[N@@H+](Cc2cccc(C)c2O)CC1=O ZINC000273512831 351534074 /nfs/dbraw/zinc/53/40/74/351534074.db2.gz REHHMYOZYJEVPN-UHFFFAOYSA-N 1 1 248.326 1.365 20 10 BDCDMO C[N@@H+](CCC(N)=O)Cc1c(O)cccc1Cl ZINC000289575461 538110372 /nfs/dbraw/zinc/11/03/72/538110372.db2.gz JREKWKKGUVDGSK-UHFFFAOYSA-N 1 1 242.706 1.353 20 10 BDCDMO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179553362 181279856 /nfs/dbraw/zinc/27/98/56/181279856.db2.gz NCDJOEODXNQVSW-LLVKDONJSA-N 1 1 234.299 1.232 20 10 BDCDMO OC[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272344923 183124288 /nfs/dbraw/zinc/12/42/88/183124288.db2.gz ZIZQXGOCSHAHHU-SECBINFHSA-N 1 1 225.263 1.346 20 10 BDCDMO OC[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272344923 183124291 /nfs/dbraw/zinc/12/42/91/183124291.db2.gz ZIZQXGOCSHAHHU-SECBINFHSA-N 1 1 225.263 1.346 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(F)cc1O ZINC000132564724 384235745 /nfs/dbraw/zinc/23/57/45/384235745.db2.gz FVXYZVVNJUXEBA-DTWKUNHWSA-N 1 1 227.279 1.953 20 10 BDCDMO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000132564482 384236085 /nfs/dbraw/zinc/23/60/85/384236085.db2.gz FVXYZVVNJUXEBA-BDAKNGLRSA-N 1 1 227.279 1.953 20 10 BDCDMO CCOc1cccc(C[N@@H+](C)CCOC)c1O ZINC000133463051 384293464 /nfs/dbraw/zinc/29/34/64/384293464.db2.gz WKDHZYWVZGXCPV-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000124812874 384679076 /nfs/dbraw/zinc/67/90/76/384679076.db2.gz IHYLDVGOLPNJQP-GFCCVEGCSA-N 1 1 249.310 1.838 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000188063968 385012104 /nfs/dbraw/zinc/01/21/04/385012104.db2.gz PDZKPOYVGIFWTI-UHFFFAOYSA-N 1 1 236.315 1.316 20 10 BDCDMO CC[C@H]([NH2+]Cc1ncn(C)n1)c1ccccc1O ZINC000157006505 385046314 /nfs/dbraw/zinc/04/63/14/385046314.db2.gz PMUZBLOWXBRWHQ-NSHDSACASA-N 1 1 246.314 1.762 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000155011228 385370181 /nfs/dbraw/zinc/37/01/81/385370181.db2.gz SWVLMMBNWLNLHU-LLVKDONJSA-N 1 1 248.326 1.398 20 10 BDCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180861535 385552863 /nfs/dbraw/zinc/55/28/63/385552863.db2.gz DWKXXHQEYMKAFM-NXEZZACHSA-N 1 1 239.290 1.734 20 10 BDCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOC)c1 ZINC000271046501 385778248 /nfs/dbraw/zinc/77/82/48/385778248.db2.gz QXSVHSFZAFCXOZ-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO CC[N@@H+](CCCO)Cc1cccc(OC)c1O ZINC000271182875 385800583 /nfs/dbraw/zinc/80/05/83/385800583.db2.gz IFYXMRNDBPYPMY-UHFFFAOYSA-N 1 1 239.315 1.605 20 10 BDCDMO CC(=O)NC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000297459788 386256794 /nfs/dbraw/zinc/25/67/94/386256794.db2.gz PXYCYQXTMAODLN-UHFFFAOYSA-N 1 1 234.299 1.021 20 10 BDCDMO COC[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000226565064 386334197 /nfs/dbraw/zinc/33/41/97/386334197.db2.gz JUQBDERIMXIGSV-JTQLQIEISA-N 1 1 239.290 2.000 20 10 BDCDMO O=C1C[C@]2(CC[N@H+](Cc3ccccc3O)C2)CN1 ZINC000279322500 386663374 /nfs/dbraw/zinc/66/33/74/386663374.db2.gz CGSGSSYTNZAZMT-CQSZACIVSA-N 1 1 246.310 1.104 20 10 BDCDMO COC[C@H]1CC[N@H+]1Cc1cc(F)ccc1O ZINC000293749376 386872422 /nfs/dbraw/zinc/87/24/22/386872422.db2.gz WPXABYQLDFKOAZ-LLVKDONJSA-N 1 1 225.263 1.752 20 10 BDCDMO COC[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000234839433 387325209 /nfs/dbraw/zinc/32/52/09/387325209.db2.gz BTGOLSAUKLMKSA-SCZZXKLOSA-N 1 1 243.278 1.189 20 10 BDCDMO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccccc1O ZINC000173359184 171240458 /nfs/dbraw/zinc/24/04/58/171240458.db2.gz VXFLIOGTTNYIAI-LLVKDONJSA-N 1 1 237.299 1.776 20 10 BDCDMO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccccc1O ZINC000173359184 171240459 /nfs/dbraw/zinc/24/04/59/171240459.db2.gz VXFLIOGTTNYIAI-LLVKDONJSA-N 1 1 237.299 1.776 20 10 BDCDMO CN1CC[N@@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000271474367 173090826 /nfs/dbraw/zinc/09/08/26/173090826.db2.gz ZRYLXUJUUDSTJZ-UHFFFAOYSA-N 1 1 234.343 1.918 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000180634268 175157971 /nfs/dbraw/zinc/15/79/71/175157971.db2.gz IOLBFYOOOUCRDW-ZDUSSCGKSA-N 1 1 237.299 1.358 20 10 BDCDMO COc1cccc(C[N@H+](C)C[C@H](C)OC)c1O ZINC000289211768 175254959 /nfs/dbraw/zinc/25/49/59/175254959.db2.gz CAFOEZPRYOJURK-JTQLQIEISA-N 1 1 239.315 1.868 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1 ZINC000132475033 176307977 /nfs/dbraw/zinc/30/79/77/176307977.db2.gz BYDJSZQDXJOBQO-SNVBAGLBSA-N 1 1 207.273 1.613 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC000022145278 177263029 /nfs/dbraw/zinc/26/30/29/177263029.db2.gz KDMDLLJWRQXWLR-JTQLQIEISA-N 1 1 206.289 1.490 20 10 BDCDMO C[C@H]1COCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000369451439 177288311 /nfs/dbraw/zinc/28/83/11/177288311.db2.gz JNLNVPMNQUVDPZ-SNVBAGLBSA-N 1 1 239.290 2.000 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@H](N)C2)c1 ZINC000853248056 588728805 /nfs/dbraw/zinc/72/88/05/588728805.db2.gz KWDVYIWAQSGXKA-VXGBXAGGSA-N 1 1 238.306 1.572 20 10 BDCDMO Cc1ccc(O)c(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000853248056 588728806 /nfs/dbraw/zinc/72/88/06/588728806.db2.gz KWDVYIWAQSGXKA-VXGBXAGGSA-N 1 1 238.306 1.572 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000840955384 583183343 /nfs/dbraw/zinc/18/33/43/583183343.db2.gz UMIOPGPGQMNWBF-GFCCVEGCSA-N 1 1 239.290 1.871 20 10 BDCDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1O ZINC000840979170 583214363 /nfs/dbraw/zinc/21/43/63/583214363.db2.gz RXQNGRDCNFIACW-YPMHNXCESA-N 1 1 235.327 1.985 20 10 BDCDMO OCC[N@H+](Cc1ccccc1O)CC1CC1 ZINC000128551093 583548620 /nfs/dbraw/zinc/54/86/20/583548620.db2.gz MZXZANILEJNQDJ-UHFFFAOYSA-N 1 1 221.300 1.597 20 10 BDCDMO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895647350 583699308 /nfs/dbraw/zinc/69/93/08/583699308.db2.gz KMJFXLOJHSACFK-PRHODGIISA-N 1 1 239.702 1.612 20 10 BDCDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895644903 583700625 /nfs/dbraw/zinc/70/06/25/583700625.db2.gz HYCDUDATDGTORF-FZMZJTMJSA-N 1 1 249.310 1.276 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895655202 583701110 /nfs/dbraw/zinc/70/11/10/583701110.db2.gz UYCMPVIYGBNEDV-JSGCOSHPSA-N 1 1 233.311 1.521 20 10 BDCDMO Cn1cc(C[NH2+]Cc2c(O)cccc2F)cn1 ZINC000896642486 583818622 /nfs/dbraw/zinc/81/86/22/583818622.db2.gz XWKCUHFCQPVIFR-UHFFFAOYSA-N 1 1 235.262 1.555 20 10 BDCDMO CC[C@@H]([NH3+])CNCc1cccc(OC)c1O ZINC000841069483 584155068 /nfs/dbraw/zinc/15/50/68/584155068.db2.gz AEFUIABQCLIUAO-SNVBAGLBSA-N 1 1 224.304 1.228 20 10 BDCDMO C[C@H]([NH2+]CC1(N)CC1)c1ccccc1O ZINC000902413456 584599401 /nfs/dbraw/zinc/59/94/01/584599401.db2.gz LUNYUARXBGEEPQ-VIFPVBQESA-N 1 1 206.289 1.534 20 10 BDCDMO CC(C)[N@@H+](C)CCNC(=O)C1=CC(=O)CS1 ZINC000732281866 584936048 /nfs/dbraw/zinc/93/60/48/584936048.db2.gz DIUSWOFFFFEXRW-UHFFFAOYSA-N 1 1 242.344 1.524 20 10 BDCDMO CCOc1ccc(O)c(C[NH+]2CC(OC)C2)c1 ZINC000839127915 585093512 /nfs/dbraw/zinc/09/35/12/585093512.db2.gz JXDUVNOJFKSNEQ-UHFFFAOYSA-N 1 1 237.299 1.622 20 10 BDCDMO C[N@@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000744401640 585149881 /nfs/dbraw/zinc/14/98/81/585149881.db2.gz FRUSOTDWGWGTTP-UHFFFAOYSA-N 1 1 221.300 1.861 20 10 BDCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1 ZINC000773819066 585644609 /nfs/dbraw/zinc/64/46/09/585644609.db2.gz OBLFKLCHNAKRMB-SWLSCSKDSA-N 1 1 248.370 1.955 20 10 BDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783735430 585841353 /nfs/dbraw/zinc/84/13/53/585841353.db2.gz QEODIIAWHJBMJX-IINYFYTJSA-N 1 1 249.310 1.215 20 10 BDCDMO CC(C)C1(O)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000785833716 585881633 /nfs/dbraw/zinc/88/16/33/585881633.db2.gz YLIWLWNKVYBFRY-UHFFFAOYSA-N 1 1 248.370 1.955 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000788270028 585920278 /nfs/dbraw/zinc/92/02/78/585920278.db2.gz OIUGDDMGNQZWJU-KCJUWKMLSA-N 1 1 225.263 1.486 20 10 BDCDMO OC[C@]1(F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000802660581 586309248 /nfs/dbraw/zinc/30/92/48/586309248.db2.gz PPUVQTZCFVJHLU-LBPRGKRZSA-N 1 1 243.253 1.438 20 10 BDCDMO OC[C@]1(F)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000802660581 586309249 /nfs/dbraw/zinc/30/92/49/586309249.db2.gz PPUVQTZCFVJHLU-LBPRGKRZSA-N 1 1 243.253 1.438 20 10 BDCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)CO)c(O)c1 ZINC000809746746 586517114 /nfs/dbraw/zinc/51/71/14/586517114.db2.gz ZZPIJSBDXLWBIM-SNVBAGLBSA-N 1 1 239.315 1.604 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H](O)C2CC2)c1 ZINC000809751775 586517446 /nfs/dbraw/zinc/51/74/46/586517446.db2.gz KGFPMAQVECMUKO-AWEZNQCLSA-N 1 1 235.327 1.903 20 10 BDCDMO CN1C[C@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000814172863 586615482 /nfs/dbraw/zinc/61/54/82/586615482.db2.gz BXRBGQLEWYADTF-DGCLKSJQSA-N 1 1 232.327 1.528 20 10 BDCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)CO)cc1 ZINC000815114096 586667324 /nfs/dbraw/zinc/66/73/24/586667324.db2.gz ORPIVNCWNYVVCN-GFCCVEGCSA-N 1 1 236.359 1.955 20 10 BDCDMO CC(C)(N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817960869 586852076 /nfs/dbraw/zinc/85/20/76/586852076.db2.gz SBGNDKGQAYFGSV-JTQLQIEISA-N 1 1 220.316 1.706 20 10 BDCDMO C[C@@H](NCC(F)(F)C[NH3+])c1cc(F)ccc1O ZINC000817966655 586855286 /nfs/dbraw/zinc/85/52/86/586855286.db2.gz SOHAVPVWDXVRPK-SSDOTTSWSA-N 1 1 248.248 1.776 20 10 BDCDMO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000817978197 586861959 /nfs/dbraw/zinc/86/19/59/586861959.db2.gz YGOVDJQJUIHOOZ-UTLUCORTSA-N 1 1 208.305 1.779 20 10 BDCDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000825312430 587314297 /nfs/dbraw/zinc/31/42/97/587314297.db2.gz SSSQVFRFYMATSD-DOMZBBRYSA-N 1 1 248.370 1.955 20 10 BDCDMO Cc1cccc(C[NH2+]C[C@H](N)C(C)C)c1O ZINC000841031022 587936571 /nfs/dbraw/zinc/93/65/71/587936571.db2.gz QWKKRAHVTBSCSK-LBPRGKRZSA-N 1 1 222.332 1.774 20 10 BDCDMO Cc1cccc(CNC[C@H]([NH3+])C(C)C)c1O ZINC000841031022 587936572 /nfs/dbraw/zinc/93/65/72/587936572.db2.gz QWKKRAHVTBSCSK-LBPRGKRZSA-N 1 1 222.332 1.774 20 10 BDCDMO Cc1cccc(CNCC(C)(C)[NH3+])c1O ZINC000841030357 587936773 /nfs/dbraw/zinc/93/67/73/587936773.db2.gz FTGHHJRGSRULPD-UHFFFAOYSA-N 1 1 208.305 1.528 20 10 BDCDMO Cc1cccc(C[NH2+]CC(C)(C)N)c1O ZINC000841030357 587936775 /nfs/dbraw/zinc/93/67/75/587936775.db2.gz FTGHHJRGSRULPD-UHFFFAOYSA-N 1 1 208.305 1.528 20 10 BDCDMO C[NH2+]CCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000841041917 587938755 /nfs/dbraw/zinc/93/87/55/587938755.db2.gz KDHVRDZDSWWZKV-XQRVVYSFSA-N 1 1 247.386 1.965 20 10 BDCDMO CC1(NCc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC000841065062 587942062 /nfs/dbraw/zinc/94/20/62/587942062.db2.gz MBAAPOLWJLAQHD-UHFFFAOYSA-N 1 1 246.354 1.853 20 10 BDCDMO CCOc1ccc(CN[C@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000841078647 587944638 /nfs/dbraw/zinc/94/46/38/587944638.db2.gz GNVWEEQIQCRZJC-VHSXEESVSA-N 1 1 238.331 1.616 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CCNC[C@@H]2C)cc1C ZINC000843047843 588075821 /nfs/dbraw/zinc/07/58/21/588075821.db2.gz YLUNOWCAHNRCLW-LBPRGKRZSA-N 1 1 234.343 1.803 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CCNC[C@@H]2C)cc1C ZINC000843047843 588075823 /nfs/dbraw/zinc/07/58/23/588075823.db2.gz YLUNOWCAHNRCLW-LBPRGKRZSA-N 1 1 234.343 1.803 20 10 BDCDMO C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058757 588078204 /nfs/dbraw/zinc/07/82/04/588078204.db2.gz XNTFKSGCMNVVJB-ZJUUUORDSA-N 1 1 238.306 1.700 20 10 BDCDMO CC(C)(N)C[NH2+]CCc1ccc(N)cc1 ZINC000843125507 588083666 /nfs/dbraw/zinc/08/36/66/588083666.db2.gz ATTSIKYNSRBFHT-UHFFFAOYSA-N 1 1 207.321 1.138 20 10 BDCDMO CCc1cccc(C[N@H+]2CCC[C@H]2CO)c1O ZINC000848883086 588416918 /nfs/dbraw/zinc/41/69/18/588416918.db2.gz JAUQUCYTZBHTPT-ZDUSSCGKSA-N 1 1 235.327 1.911 20 10 BDCDMO CN(C)c1cc(F)c(C[N@H+](C)CCO)cc1F ZINC000862211015 589194461 /nfs/dbraw/zinc/19/44/61/589194461.db2.gz AIACTLNDUNHYHW-UHFFFAOYSA-N 1 1 244.285 1.455 20 10 BDCDMO CN(C)c1cc(F)c(C[N@@H+](C)CCO)cc1F ZINC000862211015 589194462 /nfs/dbraw/zinc/19/44/62/589194462.db2.gz AIACTLNDUNHYHW-UHFFFAOYSA-N 1 1 244.285 1.455 20 10 BDCDMO [O-]c1c(F)cccc1CN1CC2(C1)CCCO2 ZINC000862484269 589216949 /nfs/dbraw/zinc/21/69/49/589216949.db2.gz IJAFZVARLRLEJS-UHFFFAOYSA-N 1 1 237.274 1.896 20 10 BDCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000862756307 589237536 /nfs/dbraw/zinc/23/75/36/589237536.db2.gz VOIMTTYOYIFHHE-LLVKDONJSA-N 1 1 248.326 1.269 20 10 BDCDMO C[C@@H]([NH3+])CN(C)Cc1c(O)ccc(Cl)c1F ZINC000863651142 589307230 /nfs/dbraw/zinc/30/72/30/589307230.db2.gz BJIUVNWWRAICPX-SSDOTTSWSA-N 1 1 246.713 1.964 20 10 BDCDMO CC(C)[N@@H+](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871201726 589744496 /nfs/dbraw/zinc/74/44/96/589744496.db2.gz ZVEURDRBGJFPLZ-UHFFFAOYSA-N 1 1 248.326 1.575 20 10 BDCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876751326 590238074 /nfs/dbraw/zinc/23/80/74/590238074.db2.gz VYASDDOZUUDIRU-GFCCVEGCSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000877463040 590332654 /nfs/dbraw/zinc/33/26/54/590332654.db2.gz YYMQTQMLMWKSTD-SMDDNHRTSA-N 1 1 233.311 1.515 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000877483071 590337818 /nfs/dbraw/zinc/33/78/18/590337818.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 1 1 246.354 1.694 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000877483071 590337821 /nfs/dbraw/zinc/33/78/21/590337821.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 1 1 246.354 1.694 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000877500838 590341079 /nfs/dbraw/zinc/34/10/79/590341079.db2.gz DTBBWEZTYAFJQM-LLVKDONJSA-N 1 1 248.326 1.363 20 10 BDCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@H]1CCNC1=O ZINC000877499168 590341172 /nfs/dbraw/zinc/34/11/72/590341172.db2.gz LZWBQOKAHWYDSC-LBPRGKRZSA-N 1 1 248.326 1.411 20 10 BDCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@H](C)CO ZINC000877543262 590352109 /nfs/dbraw/zinc/35/21/09/590352109.db2.gz BCTQZMQQJWBDIN-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC000877546507 590352471 /nfs/dbraw/zinc/35/24/71/590352471.db2.gz RMDKFRGGFOAKLG-YPMHNXCESA-N 1 1 219.284 1.674 20 10 BDCDMO Cc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC000877546507 590352474 /nfs/dbraw/zinc/35/24/74/590352474.db2.gz RMDKFRGGFOAKLG-YPMHNXCESA-N 1 1 219.284 1.674 20 10 BDCDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1O ZINC000126769969 590441449 /nfs/dbraw/zinc/44/14/49/590441449.db2.gz DGUZVOCCOSGBTH-WDEREUQCSA-N 1 1 220.316 1.561 20 10 BDCDMO CN(C)c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000132024168 591684043 /nfs/dbraw/zinc/68/40/43/591684043.db2.gz UEIYFHYEABVRON-AWEZNQCLSA-N 1 1 247.386 1.842 20 10 BDCDMO C[C@@H](CCO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886530090 592247413 /nfs/dbraw/zinc/24/74/13/592247413.db2.gz CUFFGJFBAVBWRI-IUCAKERBSA-N 1 1 227.279 1.953 20 10 BDCDMO CC[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891571745 631393279 /nfs/dbraw/zinc/39/32/79/631393279.db2.gz DGTRZDDXCIDHIV-UHFFFAOYSA-N 1 1 225.288 1.861 20 10 BDCDMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000783737989 633161320 /nfs/dbraw/zinc/16/13/20/633161320.db2.gz ASOILFOSERJYIN-MFKMUULPSA-N 1 1 237.274 1.346 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644829 636170984 /nfs/dbraw/zinc/17/09/84/636170984.db2.gz GGLFYFNSHAKWME-PRHODGIISA-N 1 1 241.237 1.237 20 10 BDCDMO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644829 636170987 /nfs/dbraw/zinc/17/09/87/636170987.db2.gz GGLFYFNSHAKWME-PRHODGIISA-N 1 1 241.237 1.237 20 10 BDCDMO c1cc(CNCC[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000258945159 635227442 /nfs/dbraw/zinc/22/74/42/635227442.db2.gz IDZKWGJNTAEAEJ-CQSZACIVSA-N 1 1 246.354 1.853 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000305205684 636324977 /nfs/dbraw/zinc/32/49/77/636324977.db2.gz ODXCSSBRXNCKBN-GFCCVEGCSA-N 1 1 235.327 1.905 20 10 BDCDMO C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000164591737 640493620 /nfs/dbraw/zinc/49/36/20/640493620.db2.gz MEPHCRUXWUFPQY-DTWKUNHWSA-N 1 1 227.279 1.780 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(F)cc1O ZINC000168828225 640828854 /nfs/dbraw/zinc/82/88/54/640828854.db2.gz WALTZGSTMGJHEM-JGVFFNPUSA-N 1 1 240.278 1.446 20 10 BDCDMO Cc1cccc(C[N@H+](C)CC2(CO)CC2)c1O ZINC000188962179 641778363 /nfs/dbraw/zinc/77/83/63/641778363.db2.gz ZGAZVHXQRCLIQC-UHFFFAOYSA-N 1 1 235.327 1.905 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](CCO)C2CC2)c1 ZINC000305780348 642693800 /nfs/dbraw/zinc/69/38/00/642693800.db2.gz SUWPLWTUOAZEJX-UHFFFAOYSA-N 1 1 237.299 1.358 20 10 BDCDMO CNC(=O)CC[N@@H+](C)Cc1cc(F)ccc1O ZINC000180065405 642769302 /nfs/dbraw/zinc/76/93/02/642769302.db2.gz MBUDOYQQTSYECH-UHFFFAOYSA-N 1 1 240.278 1.099 20 10 BDCDMO Cn1ccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000071138869 643102150 /nfs/dbraw/zinc/10/21/50/643102150.db2.gz JMUPBGYVBJHARL-UHFFFAOYSA-N 1 1 243.310 1.645 20 10 BDCDMO COc1cccc(C[NH2+]Cc2cc(C)on2)c1O ZINC000044692282 643548130 /nfs/dbraw/zinc/54/81/30/643548130.db2.gz LEKYWKUZEBRXIA-UHFFFAOYSA-N 1 1 248.282 1.987 20 10 BDCDMO [NH3+]C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000050245125 643657742 /nfs/dbraw/zinc/65/77/42/643657742.db2.gz SQZWEWHZIIVYDR-VIFPVBQESA-N 1 1 240.734 1.826 20 10 BDCDMO Cc1ccc(O)c(C[NH2+]Cc2ncnn2C)c1 ZINC000080531752 644275631 /nfs/dbraw/zinc/27/56/31/644275631.db2.gz OXQAEOUHPXSVKC-UHFFFAOYSA-N 1 1 232.287 1.119 20 10 BDCDMO CC[N@H+](CCN)Cc1ccc(N(C)C)c(C)c1 ZINC000923398193 644405372 /nfs/dbraw/zinc/40/53/72/644405372.db2.gz IJGHDLLUNYZCDJ-UHFFFAOYSA-N 1 1 235.375 1.842 20 10 BDCDMO CC[N@@H+](CCN)Cc1ccc(N(C)C)c(C)c1 ZINC000923398193 644405382 /nfs/dbraw/zinc/40/53/82/644405382.db2.gz IJGHDLLUNYZCDJ-UHFFFAOYSA-N 1 1 235.375 1.842 20 10 BDCDMO CCN1CC[N@@H+](Cc2ccccc2O)C[C@H]1C ZINC000250322180 644754941 /nfs/dbraw/zinc/75/49/41/644754941.db2.gz NHNRZMHLKUOKDS-GFCCVEGCSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@@H+]1CCN(Cc2ccccc2O)C[C@H]1C ZINC000250322180 644754950 /nfs/dbraw/zinc/75/49/50/644754950.db2.gz NHNRZMHLKUOKDS-GFCCVEGCSA-N 1 1 234.343 1.918 20 10 BDCDMO CC[N@H+]1CCN(Cc2ccccc2O)C[C@H]1C ZINC000250322180 644754957 /nfs/dbraw/zinc/75/49/57/644754957.db2.gz NHNRZMHLKUOKDS-GFCCVEGCSA-N 1 1 234.343 1.918 20 10 BDCDMO CN1CC(C[N@@H+](C)Cc2ccccc2O)C1 ZINC000827126184 645074280 /nfs/dbraw/zinc/07/42/80/645074280.db2.gz XDAXHPQLSJIXRW-UHFFFAOYSA-N 1 1 220.316 1.386 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CNOC1)c1ccc(F)cc1O ZINC000925868125 646520501 /nfs/dbraw/zinc/52/05/01/646520501.db2.gz AOVGHYKYASMMHG-APPZFPTMSA-N 1 1 226.251 1.085 20 10 BDCDMO OCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708393428 712191939 /nfs/dbraw/zinc/19/19/39/712191939.db2.gz DUWQJRNZXVQJPO-UHFFFAOYSA-N 1 1 231.242 1.533 20 10 BDCDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000396609274 711359964 /nfs/dbraw/zinc/35/99/64/711359964.db2.gz AVVDSZOTLKLNFT-JQWIXIFHSA-N 1 1 220.316 1.622 20 10 BDCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000398507959 711410772 /nfs/dbraw/zinc/41/07/72/711410772.db2.gz LBNMRCGMHIRSIT-GFCCVEGCSA-N 1 1 248.326 1.269 20 10 BDCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000398507960 711410802 /nfs/dbraw/zinc/41/08/02/711410802.db2.gz LBNMRCGMHIRSIT-LBPRGKRZSA-N 1 1 248.326 1.269 20 10 BDCDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726136 711368320 /nfs/dbraw/zinc/36/83/20/711368320.db2.gz YSWDGASQCPBEAK-WFASDCNBSA-N 1 1 247.386 1.983 20 10 BDCDMO 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BDCDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882936 966809669 /nfs/dbraw/zinc/80/96/69/966809669.db2.gz XQZOKHJJDXKSJP-ZDUSSCGKSA-N 1 1 237.299 1.445 20 10 BDCDMO CC(C)[N@@H+](CCCO)Cc1ccc(O)c(O)c1 ZINC001203882681 966809737 /nfs/dbraw/zinc/80/97/37/966809737.db2.gz QIDBFJGXSPXHDF-UHFFFAOYSA-N 1 1 239.315 1.691 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001203933671 966821061 /nfs/dbraw/zinc/82/10/61/966821061.db2.gz DQCCJRXLCVCBSV-OAHLLOKOSA-N 1 1 247.386 1.889 20 10 BDCDMO CN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001203933671 966821064 /nfs/dbraw/zinc/82/10/64/966821064.db2.gz DQCCJRXLCVCBSV-OAHLLOKOSA-N 1 1 247.386 1.889 20 10 BDCDMO CN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001203933671 966821067 /nfs/dbraw/zinc/82/10/67/966821067.db2.gz DQCCJRXLCVCBSV-OAHLLOKOSA-N 1 1 247.386 1.889 20 10 BDCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1COC1 ZINC001203937794 966824758 /nfs/dbraw/zinc/82/47/58/966824758.db2.gz SGNJZNNSAGKQQL-UHFFFAOYSA-N 1 1 234.343 1.973 20 10 BDCDMO CC(=O)C[N@@H+](C)Cc1ccc(O)cc1O ZINC001204276278 966953141 /nfs/dbraw/zinc/95/31/41/966953141.db2.gz JCYXMXXVRRRGGP-UHFFFAOYSA-N 1 1 209.245 1.119 20 10 BDCDMO CC(=O)C[N@H+](C)Cc1ccc(O)cc1O ZINC001204276278 966953153 /nfs/dbraw/zinc/95/31/53/966953153.db2.gz JCYXMXXVRRRGGP-UHFFFAOYSA-N 1 1 209.245 1.119 20 10 BDCDMO C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCCC1=O ZINC001204271722 966953372 /nfs/dbraw/zinc/95/33/72/966953372.db2.gz CUYGFXWPDIWSBO-JTQLQIEISA-N 1 1 249.310 1.899 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC001205684789 967778760 /nfs/dbraw/zinc/77/87/60/967778760.db2.gz MBYABCSFIOCWKF-GFCCVEGCSA-N 1 1 243.253 1.531 20 10 BDCDMO CO[C@H](C)C1C[NH+](Cc2c(O)cccc2F)C1 ZINC001137840038 967922739 /nfs/dbraw/zinc/92/27/39/967922739.db2.gz PUNLZAFKAVSKPT-SECBINFHSA-N 1 1 239.290 1.998 20 10 BDCDMO Nc1ccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206683928 968434011 /nfs/dbraw/zinc/43/40/11/968434011.db2.gz NPEXBEVKJQFPGU-LLVKDONJSA-N 1 1 241.285 1.437 20 10 BDCDMO 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C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1C ZINC000235348302 973835172 /nfs/dbraw/zinc/83/51/72/973835172.db2.gz VPGOHGSIZMGJBJ-SNVBAGLBSA-N 1 1 238.306 1.667 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1C ZINC000235348302 973835175 /nfs/dbraw/zinc/83/51/75/973835175.db2.gz VPGOHGSIZMGJBJ-SNVBAGLBSA-N 1 1 238.306 1.667 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC001334774200 976635986 /nfs/dbraw/zinc/63/59/86/976635986.db2.gz GKARWKBIRCUCFC-AWEZNQCLSA-N 1 1 248.326 1.260 20 10 BDCDMO Nc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC001334774200 976635992 /nfs/dbraw/zinc/63/59/92/976635992.db2.gz GKARWKBIRCUCFC-AWEZNQCLSA-N 1 1 248.326 1.260 20 10 BDCDMO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC001334823399 976719310 /nfs/dbraw/zinc/71/93/10/976719310.db2.gz OYAWGCPRGFBJEW-HDJSIYSDSA-N 1 1 245.370 1.866 20 10 BDCDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N)cc1 ZINC001335288430 976929841 /nfs/dbraw/zinc/92/98/41/976929841.db2.gz FVEKJEDXLVGCRC-WCQYABFASA-N 1 1 234.343 1.862 20 10 BDCDMO Nc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001336287052 977618663 /nfs/dbraw/zinc/61/86/63/977618663.db2.gz WHFJEMSSIGDEKV-CQSZACIVSA-N 1 1 231.343 1.454 20 10 BDCDMO Nc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001336287050 977619357 /nfs/dbraw/zinc/61/93/57/977619357.db2.gz WHFJEMSSIGDEKV-AWEZNQCLSA-N 1 1 231.343 1.454 20 10 BDCDMO Cc1cc(C)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001231842245 977763221 /nfs/dbraw/zinc/76/32/21/977763221.db2.gz LQLIRFKCZGEFEA-NSHDSACASA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001231842245 977763232 /nfs/dbraw/zinc/76/32/32/977763232.db2.gz LQLIRFKCZGEFEA-NSHDSACASA-N 1 1 248.326 1.329 20 10 BDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001232834165 978306321 /nfs/dbraw/zinc/30/63/21/978306321.db2.gz IQDRMELGSUZISD-GFCCVEGCSA-N 1 1 236.315 1.025 20 10 BDCDMO CCC[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233010085 978407305 /nfs/dbraw/zinc/40/73/05/978407305.db2.gz KTOWUUXERYIVAS-UHFFFAOYSA-N 1 1 211.261 1.645 20 10 BDCDMO CC(C)C[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482353 978612346 /nfs/dbraw/zinc/61/23/46/978612346.db2.gz KTUOKIRSMFQAFJ-UHFFFAOYSA-N 1 1 225.288 1.891 20 10 BDCDMO Cc1cc(C)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992904 979279586 /nfs/dbraw/zinc/27/95/86/979279586.db2.gz SESDVYCUEGARAY-WFASDCNBSA-N 1 1 246.354 1.932 20 10 BDCDMO CC[N@@H+](CCCCO)Cc1ccccc1O ZINC001236043943 979332235 /nfs/dbraw/zinc/33/22/35/979332235.db2.gz GQTCDJRQWCNIKH-UHFFFAOYSA-N 1 1 223.316 1.987 20 10 BDCDMO CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001236782307 979728067 /nfs/dbraw/zinc/72/80/67/979728067.db2.gz AINQOFRJFQZMMX-ZWNOBZJWSA-N 1 1 235.327 1.910 20 10 BDCDMO CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC001236789844 979730942 /nfs/dbraw/zinc/73/09/42/979730942.db2.gz UBZKYHHFCNTEME-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC001236789844 979730953 /nfs/dbraw/zinc/73/09/53/979730953.db2.gz UBZKYHHFCNTEME-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1ccc(CN2CC3(C2)C[NH+](C)C3)c(O)c1 ZINC001236787238 979731073 /nfs/dbraw/zinc/73/10/73/979731073.db2.gz HOZJNMDWAGKHPU-UHFFFAOYSA-N 1 1 246.354 1.702 20 10 BDCDMO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC001237119069 979820801 /nfs/dbraw/zinc/82/08/01/979820801.db2.gz AHYPUWCXEPNTBO-SSDOTTSWSA-N 1 1 245.681 1.751 20 10 BDCDMO C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001183928066 979910178 /nfs/dbraw/zinc/91/01/78/979910178.db2.gz GFNPTXIECGFIMA-WRWORJQWSA-N 1 1 243.253 1.795 20 10 BDCDMO CCn1ccc(-c2c[nH+]c(N)cc2C)cc1=O ZINC001242095527 983337391 /nfs/dbraw/zinc/33/73/91/983337391.db2.gz IYEUKOHGHCHKAW-UHFFFAOYSA-N 1 1 229.283 1.821 20 10 BDCDMO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N)cc1 ZINC001356083596 983570545 /nfs/dbraw/zinc/57/05/45/983570545.db2.gz UHDDZAJKJWFEJW-ZDUSSCGKSA-N 1 1 247.342 1.225 20 10 BDCDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356083596 983570554 /nfs/dbraw/zinc/57/05/54/983570554.db2.gz UHDDZAJKJWFEJW-ZDUSSCGKSA-N 1 1 247.342 1.225 20 10 BDCDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N)cc1 ZINC001356228822 983589277 /nfs/dbraw/zinc/58/92/77/983589277.db2.gz VOJWKHGJYQQKIN-UHFFFAOYSA-N 1 1 235.331 1.227 20 10 BDCDMO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC000718337272 984434549 /nfs/dbraw/zinc/43/45/49/984434549.db2.gz NEWWOTRQUYPRCS-RYUDHWBXSA-N 1 1 249.310 1.764 20 10 BDCDMO CCOc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC000718337272 984434553 /nfs/dbraw/zinc/43/45/53/984434553.db2.gz NEWWOTRQUYPRCS-RYUDHWBXSA-N 1 1 249.310 1.764 20 10 BDCDMO OC/C=C/C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462417433 986380872 /nfs/dbraw/zinc/38/08/72/986380872.db2.gz HBJLZIIVYFJODX-OWOJBTEDSA-N 1 1 229.226 1.309 20 10 BDCDMO C[NH2+]CCCNCc1ccc(N2CCCC2)cc1 ZINC001325268093 989139016 /nfs/dbraw/zinc/13/90/16/989139016.db2.gz PRWFSGLAHHWGNT-UHFFFAOYSA-N 1 1 247.386 1.986 20 10 BDCDMO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001120262729 989622499 /nfs/dbraw/zinc/62/24/99/989622499.db2.gz BZJIVXUBCDGOCK-CYBMUJFWSA-N 1 1 248.326 1.796 20 10 BDCDMO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC001120262729 989622502 /nfs/dbraw/zinc/62/25/02/989622502.db2.gz BZJIVXUBCDGOCK-CYBMUJFWSA-N 1 1 248.326 1.796 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)cccc1F ZINC001137831668 990853502 /nfs/dbraw/zinc/85/35/02/990853502.db2.gz JHCZFAGNELHULJ-RKDXNWHRSA-N 1 1 225.263 1.486 20 10 BDCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)cccc1F ZINC001137831668 990853507 /nfs/dbraw/zinc/85/35/07/990853507.db2.gz JHCZFAGNELHULJ-RKDXNWHRSA-N 1 1 225.263 1.486 20 10 BDCDMO C[C@]1(O)CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837401 990858171 /nfs/dbraw/zinc/85/81/71/990858171.db2.gz FPGBTWPHXADAER-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@]1(O)CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837401 990858172 /nfs/dbraw/zinc/85/81/72/990858172.db2.gz FPGBTWPHXADAER-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137839090 990859063 /nfs/dbraw/zinc/85/90/63/990859063.db2.gz QYVMGINLKCGCEX-NXEZZACHSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c(O)cccc1F ZINC001137839090 990859066 /nfs/dbraw/zinc/85/90/66/990859066.db2.gz QYVMGINLKCGCEX-NXEZZACHSA-N 1 1 239.290 1.877 20 10 BDCDMO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC001140184483 991557644 /nfs/dbraw/zinc/55/76/44/991557644.db2.gz WDWGOECPIXSKJW-QWHCGFSZSA-N 1 1 233.311 1.982 20 10 BDCDMO Cc1ccc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC001140184483 991557653 /nfs/dbraw/zinc/55/76/53/991557653.db2.gz WDWGOECPIXSKJW-QWHCGFSZSA-N 1 1 233.311 1.982 20 10 BDCDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)CO)c(O)c1 ZINC001560810485 991606688 /nfs/dbraw/zinc/60/66/88/991606688.db2.gz BENLEGUGGMTRBX-SNVBAGLBSA-N 1 1 239.315 1.522 20 10 BDCDMO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466433 991644805 /nfs/dbraw/zinc/64/48/05/991644805.db2.gz FNSNFDWKLMFWDV-SECBINFHSA-N 1 1 241.718 1.860 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[NH+]1CC(C)(O)C1 ZINC001262011185 992600342 /nfs/dbraw/zinc/60/03/42/992600342.db2.gz BJNWIZIAVLWVAO-UHFFFAOYSA-N 1 1 234.343 1.628 20 10 BDCDMO C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001593354404 994992022 /nfs/dbraw/zinc/99/20/22/994992022.db2.gz PBMRYNMFKOHYHY-SFYZADRCSA-N 1 1 238.287 1.088 20 10 BDCDMO Cc1cccc(C[N@H+](CCO)C(C)C)c1O ZINC000132484166 179072244 /nfs/dbraw/zinc/07/22/44/179072244.db2.gz UUIMRWXAHHAQGG-UHFFFAOYSA-N 1 1 223.316 1.903 20 10 BDCDMO Cc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1O ZINC000271841930 179073325 /nfs/dbraw/zinc/07/33/25/179073325.db2.gz TYWXWDHTQIGACN-GFCCVEGCSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@H](O)C2)c1O ZINC000132488192 179078249 /nfs/dbraw/zinc/07/82/49/179078249.db2.gz DHQPWWPBARCWJI-LLVKDONJSA-N 1 1 207.273 1.267 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000377852921 179081105 /nfs/dbraw/zinc/08/11/05/179081105.db2.gz VFWZSFRQOOQXJM-LLVKDONJSA-N 1 1 248.326 1.398 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000280452570 179084691 /nfs/dbraw/zinc/08/46/91/179084691.db2.gz LJJSUQYJCXZHGC-LBPRGKRZSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000372646741 179085195 /nfs/dbraw/zinc/08/51/95/179085195.db2.gz CLVZQKKCCNLMHZ-NEPJUHHUSA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1cccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000235915318 179082533 /nfs/dbraw/zinc/08/25/33/179082533.db2.gz TWCNCBVSUOYZBE-CQSZACIVSA-N 1 1 248.326 1.398 20 10 BDCDMO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000367777819 183132721 /nfs/dbraw/zinc/13/27/21/183132721.db2.gz KAJKRHDWOCHXKL-GDNZZTSVSA-N 1 1 237.274 1.201 20 10 BDCDMO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1O ZINC000364842827 183130025 /nfs/dbraw/zinc/13/00/25/183130025.db2.gz KBRDRUIPQSBAMV-QWRGUYRKSA-N 1 1 225.263 1.297 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]CCOCC(F)F ZINC000231692941 183255160 /nfs/dbraw/zinc/25/51/60/183255160.db2.gz JYHKPSGWVLFIJT-UHFFFAOYSA-N 1 1 249.232 1.903 20 10 BDCDMO Oc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC000039098684 183269162 /nfs/dbraw/zinc/26/91/62/183269162.db2.gz HORYLZZXUCKIHB-NSHDSACASA-N 1 1 223.272 1.055 20 10 BDCDMO CCC[N@@H+](CCO)Cc1cc(C)ccc1O ZINC000128037947 169165122 /nfs/dbraw/zinc/16/51/22/169165122.db2.gz CITQESJJLIJNBE-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO CCC[N@@H+](CCO)Cc1cccc(C)c1O ZINC000132483143 169166743 /nfs/dbraw/zinc/16/67/43/169166743.db2.gz KRBGJNKMESXGLG-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO CC[N@@H+](CCOC)Cc1cc(OC)ccc1O ZINC000133265931 384282547 /nfs/dbraw/zinc/28/25/47/384282547.db2.gz KUZSTBNZACATGS-UHFFFAOYSA-N 1 1 239.315 1.869 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1 ZINC000120180020 384334002 /nfs/dbraw/zinc/33/40/02/384334002.db2.gz XHDQNYYLOZCKFB-CQSZACIVSA-N 1 1 234.343 1.973 20 10 BDCDMO COC(=O)C[N@H+](Cc1ccccc1O)C(C)C ZINC000179559582 385474715 /nfs/dbraw/zinc/47/47/15/385474715.db2.gz VHZWMVFRETZCIR-UHFFFAOYSA-N 1 1 237.299 1.776 20 10 BDCDMO COC(=O)C[N@@H+](Cc1ccccc1O)C(C)C ZINC000179559582 385474719 /nfs/dbraw/zinc/47/47/19/385474719.db2.gz VHZWMVFRETZCIR-UHFFFAOYSA-N 1 1 237.299 1.776 20 10 BDCDMO C[C@]1(O)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179578387 385476687 /nfs/dbraw/zinc/47/66/87/385476687.db2.gz JGJLSSFIQJVNQB-ZDUSSCGKSA-N 1 1 221.300 1.739 20 10 BDCDMO C[C@H](O)CC[N@@H+](C)Cc1cc(F)ccc1O ZINC000180170344 385510042 /nfs/dbraw/zinc/51/00/42/385510042.db2.gz OAWOHJLFBNFHAK-VIFPVBQESA-N 1 1 227.279 1.734 20 10 BDCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000180195765 385512696 /nfs/dbraw/zinc/51/26/96/385512696.db2.gz LUBIUSZYQRYTRW-GFCCVEGCSA-N 1 1 249.310 1.920 20 10 BDCDMO CC[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1O ZINC000272378024 385899052 /nfs/dbraw/zinc/89/90/52/385899052.db2.gz HIESWTNHJVMHHW-GWCFXTLKSA-N 1 1 221.300 1.595 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+](C)CCCCO)c1 ZINC000276524362 386338948 /nfs/dbraw/zinc/33/89/48/386338948.db2.gz COSIUZCBNATNJI-UHFFFAOYSA-N 1 1 223.316 1.905 20 10 BDCDMO Cc1cccc(CN2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000245855412 387987942 /nfs/dbraw/zinc/98/79/42/387987942.db2.gz NIDSSBGVZJDEDF-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN3CCC[C@H]3C2)c1O ZINC000245855412 387987944 /nfs/dbraw/zinc/98/79/44/387987944.db2.gz NIDSSBGVZJDEDF-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN3CCC[C@H]3C2)c1O ZINC000245855412 387987947 /nfs/dbraw/zinc/98/79/47/387987947.db2.gz NIDSSBGVZJDEDF-AWEZNQCLSA-N 1 1 246.354 1.981 20 10 BDCDMO Cn1cnc2c1CC[N@H+](Cc1ccccc1O)C2 ZINC000376203848 398026532 /nfs/dbraw/zinc/02/65/32/398026532.db2.gz SRGWPMOQTNQYCQ-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO Cn1cnc2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC000376203848 398026537 /nfs/dbraw/zinc/02/65/37/398026537.db2.gz SRGWPMOQTNQYCQ-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO CC[N@H+](CC(=O)OC)Cc1cccc(C)c1O ZINC000271723822 397971549 /nfs/dbraw/zinc/97/15/49/397971549.db2.gz KUVYXRCFMCTHEL-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CC[N@@H+](CC(=O)OC)Cc1cccc(C)c1O ZINC000271723822 397971555 /nfs/dbraw/zinc/97/15/55/397971555.db2.gz KUVYXRCFMCTHEL-UHFFFAOYSA-N 1 1 237.299 1.696 20 10 BDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000271353990 171088457 /nfs/dbraw/zinc/08/84/57/171088457.db2.gz QACQIIMMPJLHIZ-UKRRQHHQSA-N 1 1 248.370 1.955 20 10 BDCDMO CN1CC[C@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000378499294 173161219 /nfs/dbraw/zinc/16/12/19/173161219.db2.gz PPJOURGSIRUZTE-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@@H+]1CC[C@H]2CCN(Cc3ccccc3O)C[C@@H]21 ZINC000378499294 173161222 /nfs/dbraw/zinc/16/12/22/173161222.db2.gz PPJOURGSIRUZTE-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1CC[C@H]2CCN(Cc3ccccc3O)C[C@@H]21 ZINC000378499294 173161223 /nfs/dbraw/zinc/16/12/23/173161223.db2.gz PPJOURGSIRUZTE-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO CNC(=O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294214456 173277623 /nfs/dbraw/zinc/27/76/23/173277623.db2.gz LMGZCXRXMNBAKL-UHFFFAOYSA-N 1 1 246.669 1.020 20 10 BDCDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000133042497 173297839 /nfs/dbraw/zinc/29/78/39/173297839.db2.gz BBMNPYSGKVEWLD-LBPRGKRZSA-N 1 1 248.326 1.493 20 10 BDCDMO COCCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000179997701 174219070 /nfs/dbraw/zinc/21/90/70/174219070.db2.gz CHBORTPFMAPJCW-UHFFFAOYSA-N 1 1 227.279 2.000 20 10 BDCDMO COCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000068960638 174279971 /nfs/dbraw/zinc/27/99/71/174279971.db2.gz WFGRSQDKOROOJB-UHFFFAOYSA-N 1 1 239.271 1.199 20 10 BDCDMO COCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062744696 174338314 /nfs/dbraw/zinc/33/83/14/174338314.db2.gz STNRTYCKGNRJTQ-QMMMGPOBSA-N 1 1 213.252 1.828 20 10 BDCDMO C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000128522173 176337055 /nfs/dbraw/zinc/33/70/55/176337055.db2.gz NETLLESPOXMQHK-GFCCVEGCSA-N 1 1 234.343 1.973 20 10 BDCDMO C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000128522173 176337057 /nfs/dbraw/zinc/33/70/57/176337057.db2.gz NETLLESPOXMQHK-GFCCVEGCSA-N 1 1 234.343 1.973 20 10 BDCDMO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1O ZINC000854231722 583083444 /nfs/dbraw/zinc/08/34/44/583083444.db2.gz KSAWDYFCXHIHRK-YUMQZZPRSA-N 1 1 244.285 1.929 20 10 BDCDMO C[N@H+](CCO)Cc1cc(F)cc(F)c1O ZINC000893870750 583235452 /nfs/dbraw/zinc/23/54/52/583235452.db2.gz GEGOBDGKJMSYSP-UHFFFAOYSA-N 1 1 217.215 1.095 20 10 BDCDMO C[N@@H+](CCO)Cc1cc(F)cc(F)c1O ZINC000893870750 583235455 /nfs/dbraw/zinc/23/54/55/583235455.db2.gz GEGOBDGKJMSYSP-UHFFFAOYSA-N 1 1 217.215 1.095 20 10 BDCDMO CC[N@@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000893872282 583238086 /nfs/dbraw/zinc/23/80/86/583238086.db2.gz QBZHHJBDOWIKDT-UHFFFAOYSA-N 1 1 239.315 1.523 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC000877464002 583314827 /nfs/dbraw/zinc/31/48/27/583314827.db2.gz IETOMNYOXFVPCQ-YPMHNXCESA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cn[nH]c1CN1Cc2cccc(O)c2C1 ZINC000877702743 583343625 /nfs/dbraw/zinc/34/36/25/583343625.db2.gz FVISJHIUNNZUPD-UHFFFAOYSA-N 1 1 229.283 1.940 20 10 BDCDMO C[C@@H](O)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894450279 583462278 /nfs/dbraw/zinc/46/22/78/583462278.db2.gz HELPOFBMFRLNBW-SSDOTTSWSA-N 1 1 231.242 1.483 20 10 BDCDMO C[C@@H](O)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894450279 583462280 /nfs/dbraw/zinc/46/22/80/583462280.db2.gz HELPOFBMFRLNBW-SSDOTTSWSA-N 1 1 231.242 1.483 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000857878178 588919049 /nfs/dbraw/zinc/91/90/49/588919049.db2.gz UNVCFHASCVVUNX-UHFFFAOYSA-N 1 1 243.310 1.982 20 10 BDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647812 583699504 /nfs/dbraw/zinc/69/95/04/583699504.db2.gz MICMZWRJHWICFV-BXUZGUMPSA-N 1 1 249.310 1.358 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895656475 583701666 /nfs/dbraw/zinc/70/16/66/583701666.db2.gz YXAYCCFEAZUCEM-UKRRQHHQSA-N 1 1 246.354 1.628 20 10 BDCDMO Cc1ncc(C[NH2+]Cc2c(O)cccc2F)n1C ZINC000896639506 583819687 /nfs/dbraw/zinc/81/96/87/583819687.db2.gz VQBFZCASJWTICC-UHFFFAOYSA-N 1 1 249.289 1.863 20 10 BDCDMO Cc1noc([C@@H](C)[NH2+]Cc2ccccc2O)n1 ZINC000729684954 584022613 /nfs/dbraw/zinc/02/26/13/584022613.db2.gz YTFPXCIDFURLQN-MRVPVSSYSA-N 1 1 233.271 1.934 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897678370 584036598 /nfs/dbraw/zinc/03/65/98/584036598.db2.gz ASNUPLVHCVFXPY-MFKMUULPSA-N 1 1 221.300 1.513 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897680532 584037991 /nfs/dbraw/zinc/03/79/91/584037991.db2.gz SGAMOMRIGLTCBV-ZWNOBZJWSA-N 1 1 235.327 1.767 20 10 BDCDMO CC[C@@H]([NH2+]CCCON)c1ccc(F)cc1O ZINC000902415223 584589543 /nfs/dbraw/zinc/58/95/43/584589543.db2.gz LMTFZTZISYJCGM-LLVKDONJSA-N 1 1 242.294 1.852 20 10 BDCDMO [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000904405450 584878617 /nfs/dbraw/zinc/87/86/17/584878617.db2.gz JANPNSPCACDTTR-SNVBAGLBSA-N 1 1 238.306 1.702 20 10 BDCDMO COC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839129056 585093802 /nfs/dbraw/zinc/09/38/02/585093802.db2.gz VXNNQHQZDXFRGJ-UHFFFAOYSA-N 1 1 207.273 1.531 20 10 BDCDMO CCC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000746137218 585163639 /nfs/dbraw/zinc/16/36/39/585163639.db2.gz MHNTZFDNZJKNOL-UHFFFAOYSA-N 1 1 249.358 1.450 20 10 BDCDMO C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465785 585539108 /nfs/dbraw/zinc/53/91/08/585539108.db2.gz LHKXTFYXLQIWMY-NOZJJQNGSA-N 1 1 249.310 1.802 20 10 BDCDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccccc1O ZINC000768872895 585545231 /nfs/dbraw/zinc/54/52/31/585545231.db2.gz LLBKTPOSDJYQJM-UHFFFAOYSA-N 1 1 217.272 1.747 20 10 BDCDMO CN(C)c1cc[nH+]c(NCc2ccccc2O)n1 ZINC000774522857 585660574 /nfs/dbraw/zinc/66/05/74/585660574.db2.gz APUIBBZMEKUNTF-UHFFFAOYSA-N 1 1 244.298 1.860 20 10 BDCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H](C)O ZINC000776521273 585699919 /nfs/dbraw/zinc/69/99/19/585699919.db2.gz OLDSYTPAMGMXSQ-VIFPVBQESA-N 1 1 225.288 1.213 20 10 BDCDMO CN1CCC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000778949492 585742486 /nfs/dbraw/zinc/74/24/86/585742486.db2.gz JEKHFSJBIOWKSU-LBPRGKRZSA-N 1 1 248.326 1.445 20 10 BDCDMO C[C@@]1(CO)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000788435041 585923244 /nfs/dbraw/zinc/92/32/44/585923244.db2.gz DISOIGPMKPEQEV-ZDUSSCGKSA-N 1 1 239.290 1.878 20 10 BDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]3C[C@H]31)CCC2 ZINC000793618266 586024216 /nfs/dbraw/zinc/02/42/16/586024216.db2.gz KXOJYLMJHJHIQT-HIFRSBDPSA-N 1 1 245.322 1.854 20 10 BDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H]3C[C@H]31)CCC2 ZINC000793618266 586024217 /nfs/dbraw/zinc/02/42/17/586024217.db2.gz KXOJYLMJHJHIQT-HIFRSBDPSA-N 1 1 245.322 1.854 20 10 BDCDMO Cc1cc(O)c(C[NH2+]Cc2cnn(C)n2)cc1C ZINC000808417643 586471719 /nfs/dbraw/zinc/47/17/19/586471719.db2.gz RKSQYKDNAYAXJQ-UHFFFAOYSA-N 1 1 246.314 1.427 20 10 BDCDMO Cc1nonc1C[NH2+]Cc1cc(C)ccc1O ZINC000809745714 586516797 /nfs/dbraw/zinc/51/67/97/586516797.db2.gz ZVQFVALFUXGLPW-UHFFFAOYSA-N 1 1 233.271 1.682 20 10 BDCDMO Cc1cc(C[NH+]2CCOCC2)ccc1N(C)C ZINC000815008616 586663924 /nfs/dbraw/zinc/66/39/24/586663924.db2.gz ZPAROPHMHJVKED-UHFFFAOYSA-N 1 1 234.343 1.893 20 10 BDCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(N)=O ZINC000816593021 586743205 /nfs/dbraw/zinc/74/32/05/586743205.db2.gz BXGPCTMVNCYIBR-RXMQYKEDSA-N 1 1 246.669 1.148 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(F)c1O ZINC000817414604 586802419 /nfs/dbraw/zinc/80/24/19/586802419.db2.gz MCKHWPVJRFWOAV-KOLCDFICSA-N 1 1 239.290 1.877 20 10 BDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(F)c1O ZINC000817414604 586802421 /nfs/dbraw/zinc/80/24/21/586802421.db2.gz MCKHWPVJRFWOAV-KOLCDFICSA-N 1 1 239.290 1.877 20 10 BDCDMO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCNC1)CC2 ZINC000817941953 586845004 /nfs/dbraw/zinc/84/50/04/586845004.db2.gz USIHIAPPXGQHCV-NEPJUHHUSA-N 1 1 232.327 1.721 20 10 BDCDMO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817966053 586849864 /nfs/dbraw/zinc/84/98/64/586849864.db2.gz ZVIGAVMDUOPHNA-QMMMGPOBSA-N 1 1 240.734 1.916 20 10 BDCDMO C[C@H](CN)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817966842 586854998 /nfs/dbraw/zinc/85/49/98/586854998.db2.gz WXTMJRLROFBMPS-MNOVXSKESA-N 1 1 221.348 1.750 20 10 BDCDMO C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969891 586856698 /nfs/dbraw/zinc/85/66/98/586856698.db2.gz HSBGQOJGUUCJRH-YUMQZZPRSA-N 1 1 239.275 1.298 20 10 BDCDMO CC[C@@H](N)C[NH2+][C@@H](C)c1ccccc1O ZINC000817979266 586862107 /nfs/dbraw/zinc/86/21/07/586862107.db2.gz JFSCAKVVELTULP-VHSXEESVSA-N 1 1 208.305 1.780 20 10 BDCDMO OCCC[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000825338940 587315719 /nfs/dbraw/zinc/31/57/19/587315719.db2.gz WXWQCBCVYFMAOP-GFCCVEGCSA-N 1 1 235.327 1.987 20 10 BDCDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000827284723 587375057 /nfs/dbraw/zinc/37/50/57/587375057.db2.gz VWWDKNPTSINGSL-JSGCOSHPSA-N 1 1 233.311 1.861 20 10 BDCDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244125 587652180 /nfs/dbraw/zinc/65/21/80/587652180.db2.gz LFXGPATUEFHMLQ-LBPRGKRZSA-N 1 1 233.315 1.692 20 10 BDCDMO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841063619 587941060 /nfs/dbraw/zinc/94/10/60/587941060.db2.gz MBHSFNWRVSSZFW-FZMZJTMJSA-N 1 1 246.354 1.709 20 10 BDCDMO CN(C)c1ccc(CNC2(C)CC[NH2+]CC2)cc1 ZINC000841062965 587942021 /nfs/dbraw/zinc/94/20/21/587942021.db2.gz DXAAURDVIJIHAL-UHFFFAOYSA-N 1 1 247.386 1.984 20 10 BDCDMO C[C@@H](CN)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841067476 587942614 /nfs/dbraw/zinc/94/26/14/587942614.db2.gz ZLKRYKFIDBVGJG-ITKZLYELSA-N 1 1 233.359 1.703 20 10 BDCDMO CC[C@H](N)C[NH2+]Cc1cccc(C)c1O ZINC000841071342 587942676 /nfs/dbraw/zinc/94/26/76/587942676.db2.gz DJHNWRUUFDPJJT-NSHDSACASA-N 1 1 208.305 1.528 20 10 BDCDMO CC[C@H]([NH3+])CNCc1cccc(C)c1O ZINC000841071342 587942677 /nfs/dbraw/zinc/94/26/77/587942677.db2.gz DJHNWRUUFDPJJT-NSHDSACASA-N 1 1 208.305 1.528 20 10 BDCDMO Cc1cc(O)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841077161 587944662 /nfs/dbraw/zinc/94/46/62/587944662.db2.gz BRPXDXPHNIHWQM-IMRBUKKESA-N 1 1 232.327 1.316 20 10 BDCDMO Cc1cccc(C[NH2+][C@@H]2CCCCNC2)c1O ZINC000841090187 587945551 /nfs/dbraw/zinc/94/55/51/587945551.db2.gz MJUXPBLSWGRRME-CYBMUJFWSA-N 1 1 234.343 1.932 20 10 BDCDMO CN(C)c1ccc(OCc2noc(C[NH3+])n2)cc1 ZINC000843316542 588099746 /nfs/dbraw/zinc/09/97/46/588099746.db2.gz UTRSEFALYBTVTJ-UHFFFAOYSA-N 1 1 248.286 1.173 20 10 BDCDMO COc1cccc(O)c1C[NH2+]Cc1ccno1 ZINC000843403195 588106410 /nfs/dbraw/zinc/10/64/10/588106410.db2.gz VJQLIQMVBYQJCS-UHFFFAOYSA-N 1 1 234.255 1.679 20 10 BDCDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000843427761 588108558 /nfs/dbraw/zinc/10/85/58/588108558.db2.gz LKOYPCHSKVXEIF-GHMZBOCLSA-N 1 1 241.262 1.035 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(F)cc1O ZINC000850579589 588561797 /nfs/dbraw/zinc/56/17/97/588561797.db2.gz ZLLODQRRYLWLAD-SZEHBUNVSA-N 1 1 225.263 1.705 20 10 BDCDMO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)NC2)c1O ZINC000863483821 589293063 /nfs/dbraw/zinc/29/30/63/589293063.db2.gz DULUZDOYRXOHSY-DGCLKSJQSA-N 1 1 234.343 1.931 20 10 BDCDMO C[NH2+]CCCN(C)Cc1cc(OC)ccc1O ZINC000124753179 590081048 /nfs/dbraw/zinc/08/10/48/590081048.db2.gz REPWSVLDNGVMKH-UHFFFAOYSA-N 1 1 238.331 1.442 20 10 BDCDMO Cc1ccc(C[N@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC000876509730 590205046 /nfs/dbraw/zinc/20/50/46/590205046.db2.gz HBHPYACLTUKSBM-LBPRGKRZSA-N 1 1 235.327 1.905 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877184003 590298387 /nfs/dbraw/zinc/29/83/87/590298387.db2.gz JYSGMWKGCRDJID-RYUDHWBXSA-N 1 1 235.327 1.903 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877433985 590327651 /nfs/dbraw/zinc/32/76/51/590327651.db2.gz LCLVUBDQFLSKHU-WCQYABFASA-N 1 1 235.327 1.903 20 10 BDCDMO CC[N@@H+](CC(N)=O)Cc1c(C)cccc1O ZINC000877469787 590335218 /nfs/dbraw/zinc/33/52/18/590335218.db2.gz ZEWOGWVUMVLTAD-UHFFFAOYSA-N 1 1 222.288 1.008 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877545081 590353351 /nfs/dbraw/zinc/35/33/51/590353351.db2.gz GDLOQIRYVKWHOB-ITGUQSILSA-N 1 1 233.311 1.371 20 10 BDCDMO OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000883001577 591505034 /nfs/dbraw/zinc/50/50/34/591505034.db2.gz HUXCUWDCTLNLJC-LLVKDONJSA-N 1 1 243.253 1.531 20 10 BDCDMO C[C@H]([NH2+]CCO)c1cc(F)cc(F)c1O ZINC000134911086 591958682 /nfs/dbraw/zinc/95/86/82/591958682.db2.gz OLNUCSKENBTNJS-LURJTMIESA-N 1 1 217.215 1.313 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)CO)c1c(O)cccc1F ZINC000886532760 592249420 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/nfs/dbraw/zinc/16/13/97/633161397.db2.gz ASOILFOSERJYIN-GXFFZTMASA-N 1 1 237.274 1.346 20 10 BDCDMO OC[C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000294100232 633752839 /nfs/dbraw/zinc/75/28/39/633752839.db2.gz RZZTZBIDJZAPRL-GFCCVEGCSA-N 1 1 235.327 1.987 20 10 BDCDMO C[C@H]([NH2+]Cc1cccc(F)c1O)C(C)(C)O ZINC000309733721 633997114 /nfs/dbraw/zinc/99/71/14/633997114.db2.gz BTPADLLJDIKMDQ-QMMMGPOBSA-N 1 1 227.279 1.780 20 10 BDCDMO CC1([NH2+]Cc2cc(F)cc(F)c2O)COC1 ZINC000895445404 636144759 /nfs/dbraw/zinc/14/47/59/636144759.db2.gz ZJHLMQSICAEDHC-UHFFFAOYSA-N 1 1 229.226 1.549 20 10 BDCDMO C[C@H]([NH2+][C@@H]1CNOC1)c1cc(F)cc(F)c1O ZINC000925862555 635560205 /nfs/dbraw/zinc/56/02/05/635560205.db2.gz UIEFDZKARCWWOC-POYBYMJQSA-N 1 1 244.241 1.224 20 10 BDCDMO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000895117520 636065698 /nfs/dbraw/zinc/06/56/98/636065698.db2.gz VQQCMSYZAWLOIH-GARJFASQSA-N 1 1 248.326 1.490 20 10 BDCDMO CCOc1cccc(C[NH2+]CC2(N)CC2)c1O ZINC000904449729 637413805 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CC[N@@H+]1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001152574588 962450195 /nfs/dbraw/zinc/45/01/95/962450195.db2.gz YYXKAVRLZJUPBA-LBPRGKRZSA-N 1 1 246.310 1.329 20 10 BDCDMO CC[N@H+]1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001152574588 962450207 /nfs/dbraw/zinc/45/02/07/962450207.db2.gz YYXKAVRLZJUPBA-LBPRGKRZSA-N 1 1 246.310 1.329 20 10 BDCDMO CO[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508979 964344655 /nfs/dbraw/zinc/34/46/55/964344655.db2.gz RKZHREFFMMPJAV-VIFPVBQESA-N 1 1 243.253 1.891 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508979 964344668 /nfs/dbraw/zinc/34/46/68/964344668.db2.gz RKZHREFFMMPJAV-VIFPVBQESA-N 1 1 243.253 1.891 20 10 BDCDMO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(N)C2)c1O ZINC001236022889 966236305 /nfs/dbraw/zinc/23/63/05/966236305.db2.gz AZBBGEVZXYDWHA-AAEUAGOBSA-N 1 1 218.300 1.234 20 10 BDCDMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(N)C2)c1O ZINC001236022889 966236322 /nfs/dbraw/zinc/23/63/22/966236322.db2.gz AZBBGEVZXYDWHA-AAEUAGOBSA-N 1 1 218.300 1.234 20 10 BDCDMO Oc1cc(F)cc(F)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236290099 966345484 /nfs/dbraw/zinc/34/54/84/966345484.db2.gz RQFNOLDYMLEZQX-CPCISQLKSA-N 1 1 240.253 1.074 20 10 BDCDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC001203562557 966692827 /nfs/dbraw/zinc/69/28/27/966692827.db2.gz LOWWNBTZJCVYPV-LBPRGKRZSA-N 1 1 219.284 1.946 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001203621502 966711752 /nfs/dbraw/zinc/71/17/52/966711752.db2.gz WLAGSEOAEPAUBE-MWLCHTKSSA-N 1 1 237.299 1.356 20 10 BDCDMO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001203634935 966715816 /nfs/dbraw/zinc/71/58/16/966715816.db2.gz BTLHAQIPMUOKAL-DGCLKSJQSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001203634935 966715823 /nfs/dbraw/zinc/71/58/23/966715823.db2.gz BTLHAQIPMUOKAL-DGCLKSJQSA-N 1 1 249.310 1.764 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001203670562 966734747 /nfs/dbraw/zinc/73/47/47/966734747.db2.gz TZQNPCNCTBSIDH-JTQLQIEISA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(O)c(C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001203670562 966734757 /nfs/dbraw/zinc/73/47/57/966734757.db2.gz TZQNPCNCTBSIDH-JTQLQIEISA-N 1 1 249.310 1.812 20 10 BDCDMO Oc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1O ZINC001203874507 966794610 /nfs/dbraw/zinc/79/46/10/966794610.db2.gz AADXPWFYVCDXMY-JOYOIKCWSA-N 1 1 241.262 1.003 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)cc1O ZINC001203874507 966794620 /nfs/dbraw/zinc/79/46/20/966794620.db2.gz AADXPWFYVCDXMY-JOYOIKCWSA-N 1 1 241.262 1.003 20 10 BDCDMO Oc1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)cc1O ZINC001203882197 966810789 /nfs/dbraw/zinc/81/07/89/966810789.db2.gz GASAMNMJWCMENH-CQSZACIVSA-N 1 1 249.310 1.853 20 10 BDCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001203933666 966820809 /nfs/dbraw/zinc/82/08/09/966820809.db2.gz DQCCJRXLCVCBSV-HNNXBMFYSA-N 1 1 247.386 1.889 20 10 BDCDMO CN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)C2)cc1 ZINC001203933666 966820810 /nfs/dbraw/zinc/82/08/10/966820810.db2.gz 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ZINC001137832698 990858336 /nfs/dbraw/zinc/85/83/36/990858336.db2.gz DQLVDUGMWNRQHM-UHFFFAOYSA-N 1 1 237.274 1.754 20 10 BDCDMO C/C=C\C[C@@H](CO)[NH2+]Cc1cccc(F)c1O ZINC001308710350 991105935 /nfs/dbraw/zinc/10/59/35/991105935.db2.gz FOQMKNMIUZVGTQ-QUCGXOGASA-N 1 1 239.290 1.948 20 10 BDCDMO CNC(=O)C[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140178205 991550196 /nfs/dbraw/zinc/55/01/96/991550196.db2.gz CJVJHKWOHSNVGY-UHFFFAOYSA-N 1 1 236.315 1.187 20 10 BDCDMO Cc1ccc(C)c(C[NH+]2CC3(CCO3)C2)c1O ZINC001140182690 991557159 /nfs/dbraw/zinc/55/71/59/991557159.db2.gz XITYGKJBHQKPBM-UHFFFAOYSA-N 1 1 233.311 1.984 20 10 BDCDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001560853179 991621757 /nfs/dbraw/zinc/62/17/57/991621757.db2.gz SPJBWWAVJXRNRV-MRVPVSSYSA-N 1 1 229.707 1.858 20 10 BDCDMO Nc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000700557519 993841805 /nfs/dbraw/zinc/84/18/05/993841805.db2.gz TUJODHAJRXAALH-ZDUSSCGKSA-N 1 1 238.306 1.829 20 10 BDCDMO Nc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000700557519 993841806 /nfs/dbraw/zinc/84/18/06/993841806.db2.gz TUJODHAJRXAALH-ZDUSSCGKSA-N 1 1 238.306 1.829 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC001307638542 995421748 /nfs/dbraw/zinc/42/17/48/995421748.db2.gz OZUNIUNADUHXBB-WFASDCNBSA-N 1 1 248.370 1.955 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1C ZINC000373515313 178195011 /nfs/dbraw/zinc/19/50/11/178195011.db2.gz JWXYCRQVNOBYGT-CQSZACIVSA-N 1 1 247.338 1.966 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2C)cc1C ZINC000123439899 178195542 /nfs/dbraw/zinc/19/55/42/178195542.db2.gz MZOLEOIKMNEBCH-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2C)cc1C ZINC000123439899 178195543 /nfs/dbraw/zinc/19/55/43/178195543.db2.gz MZOLEOIKMNEBCH-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(O)c(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1C ZINC000295127927 178196068 /nfs/dbraw/zinc/19/60/68/178196068.db2.gz YDFVELAZHNWKQZ-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO Cc1cc(O)c(C[N@H+]2CC(=O)N[C@H](C)C2)cc1C ZINC000295127927 178196071 /nfs/dbraw/zinc/19/60/71/178196071.db2.gz YDFVELAZHNWKQZ-LLVKDONJSA-N 1 1 248.326 1.329 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@H](CO)C2)c1O ZINC000092764288 343784870 /nfs/dbraw/zinc/78/48/70/343784870.db2.gz XYEWNBROQCPQAN-JTQLQIEISA-N 1 1 237.299 1.215 20 10 BDCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)CO ZINC000292680046 352326772 /nfs/dbraw/zinc/32/67/72/352326772.db2.gz APZYSPPQZJMINS-SNVBAGLBSA-N 1 1 209.289 1.595 20 10 BDCDMO OC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180026209 183122268 /nfs/dbraw/zinc/12/22/68/183122268.db2.gz HKOQCUSWJFARRP-SECBINFHSA-N 1 1 225.263 1.346 20 10 BDCDMO Oc1c(F)cccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000165164327 183253887 /nfs/dbraw/zinc/25/38/87/183253887.db2.gz IIXFZOUOYXDSRM-LLVKDONJSA-N 1 1 225.263 1.392 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000092764595 384192789 /nfs/dbraw/zinc/19/27/89/384192789.db2.gz VEQYQCRGMKYXLI-NSHDSACASA-N 1 1 221.300 1.515 20 10 BDCDMO CC(C)[N@H+](CC(N)=O)Cc1cccc(F)c1O ZINC000160213602 384394274 /nfs/dbraw/zinc/39/42/74/384394274.db2.gz LJWVOTIMYVBOLY-UHFFFAOYSA-N 1 1 240.278 1.227 20 10 BDCDMO CC(C)[N@@H+](CC(N)=O)Cc1cccc(F)c1O ZINC000160213602 384394277 /nfs/dbraw/zinc/39/42/77/384394277.db2.gz LJWVOTIMYVBOLY-UHFFFAOYSA-N 1 1 240.278 1.227 20 10 BDCDMO C[N@@H+](CC(=O)N1CCCC1)Cc1ccccc1O ZINC000121145340 384401192 /nfs/dbraw/zinc/40/11/92/384401192.db2.gz GLNUAGICQSGJAZ-UHFFFAOYSA-N 1 1 248.326 1.446 20 10 BDCDMO C[C@H](CF)[NH2+]Cc1cccc(F)c1O ZINC000290254435 384618693 /nfs/dbraw/zinc/61/86/93/384618693.db2.gz VZSROHQUXYXCQN-SSDOTTSWSA-N 1 1 201.216 1.979 20 10 BDCDMO Cn1cncc1C[N@@H+](C)Cc1ccccc1O ZINC000177065176 385173072 /nfs/dbraw/zinc/17/30/72/385173072.db2.gz URBNJKSJZLFGOZ-UHFFFAOYSA-N 1 1 231.299 1.758 20 10 BDCDMO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(F)ccc1O ZINC000364846806 385529075 /nfs/dbraw/zinc/52/90/75/385529075.db2.gz VOKAMUFGRKTYIL-MNOVXSKESA-N 1 1 243.253 1.436 20 10 BDCDMO OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(F)ccc1O ZINC000364846806 385529078 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C[C@H]([NH2+]CC1(CO)CC1)c1ccc(F)cc1O ZINC000122314806 589577802 /nfs/dbraw/zinc/57/78/02/589577802.db2.gz ZHGYSMUBAVMVGD-VIFPVBQESA-N 1 1 239.290 1.954 20 10 BDCDMO CCC[N@@H+](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202379 589744160 /nfs/dbraw/zinc/74/41/60/589744160.db2.gz GAMCYBPPJHWPBG-UHFFFAOYSA-N 1 1 248.326 1.576 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1CCCN(C)CC1 ZINC000876511087 590205430 /nfs/dbraw/zinc/20/54/30/590205430.db2.gz WAKDACVXSGKCPT-UHFFFAOYSA-N 1 1 234.343 1.838 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000876528375 590209194 /nfs/dbraw/zinc/20/91/94/590209194.db2.gz WHCNWVDMYNRHMO-LLVKDONJSA-N 1 1 221.300 1.657 20 10 BDCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC000876563194 590216353 /nfs/dbraw/zinc/21/63/53/590216353.db2.gz ZWGYGBCJSOXGLP-LBPRGKRZSA-N 1 1 249.310 1.838 20 10 BDCDMO [O-]c1c(C[N@H+](CCO)C2CC2)ccc(F)c1F ZINC000876579306 590217061 /nfs/dbraw/zinc/21/70/61/590217061.db2.gz DKXYPYOGXQTNKP-UHFFFAOYSA-N 1 1 243.253 1.627 20 10 BDCDMO CC[N@@H+](CC(=O)NC)Cc1c(C)cccc1O ZINC000876577845 590218347 /nfs/dbraw/zinc/21/83/47/590218347.db2.gz QTEHJRJEMNGBAD-UHFFFAOYSA-N 1 1 236.315 1.269 20 10 BDCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)c(O)c1 ZINC000876814217 590245363 /nfs/dbraw/zinc/24/53/63/590245363.db2.gz DOJXMDZCHUAEQX-LLVKDONJSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000877434745 590326612 /nfs/dbraw/zinc/32/66/12/590326612.db2.gz TZKCBRDXGPDEQK-AAEUAGOBSA-N 1 1 235.327 1.903 20 10 BDCDMO CCn1ncnc1C[NH2+]Cc1ccc(C)cc1O ZINC000877491500 590339825 /nfs/dbraw/zinc/33/98/25/590339825.db2.gz KOLMRPHQBQMZLF-UHFFFAOYSA-N 1 1 246.314 1.602 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)c(O)c1 ZINC000877501398 590341856 /nfs/dbraw/zinc/34/18/56/590341856.db2.gz OIQYTSDBOLSSOU-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)NCC2(C)C)c(O)c1 ZINC000877501398 590341858 /nfs/dbraw/zinc/34/18/58/590341858.db2.gz OIQYTSDBOLSSOU-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC000877503770 590342225 /nfs/dbraw/zinc/34/22/25/590342225.db2.gz AGPQUKPNUAIFTA-ZDUSSCGKSA-N 1 1 239.290 1.607 20 10 BDCDMO Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)c(O)c1 ZINC000877586495 590367709 /nfs/dbraw/zinc/36/77/09/590367709.db2.gz HLPXCYNIOKIFOK-LBPRGKRZSA-N 1 1 239.290 1.871 20 10 BDCDMO Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)c(O)c1 ZINC000877586495 590367712 /nfs/dbraw/zinc/36/77/12/590367712.db2.gz HLPXCYNIOKIFOK-LBPRGKRZSA-N 1 1 239.290 1.871 20 10 BDCDMO Cc1cc(C[N@H+]2CC=C[C@H]2CO)ccc1N(C)C ZINC000880492668 591072066 /nfs/dbraw/zinc/07/20/66/591072066.db2.gz UTVAHMDVBLACON-AWEZNQCLSA-N 1 1 246.354 1.794 20 10 BDCDMO C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000130639729 591490241 /nfs/dbraw/zinc/49/02/41/591490241.db2.gz QCHQLSNQXBZIKK-MRVPVSSYSA-N 1 1 229.707 1.858 20 10 BDCDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000136822314 592151415 /nfs/dbraw/zinc/15/14/15/592151415.db2.gz JDVONYTWGVEICU-NEPJUHHUSA-N 1 1 235.327 1.985 20 10 BDCDMO COC[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886604923 592274869 /nfs/dbraw/zinc/27/48/69/592274869.db2.gz GELUGBFLSDQFBL-RKDXNWHRSA-N 1 1 243.278 1.189 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1c(O)cccc1F ZINC000886621905 592277244 /nfs/dbraw/zinc/27/72/44/592277244.db2.gz FVEWUDVJLUXPCT-HLTSFMKQSA-N 1 1 225.263 1.705 20 10 BDCDMO C[C@@H]([NH2+][C@H](CO)CCF)c1c(O)cccc1F ZINC000886632758 592283331 /nfs/dbraw/zinc/28/33/31/592283331.db2.gz DFWJNPMHJRFDEQ-BDAKNGLRSA-N 1 1 245.269 1.902 20 10 BDCDMO C[C@H]([NH2+][C@H]1CCNC1=O)c1c(O)cccc1F ZINC000886634378 592284032 /nfs/dbraw/zinc/28/40/32/592284032.db2.gz COMVSQBMTUDGFS-CBAPKCEASA-N 1 1 238.262 1.070 20 10 BDCDMO Cc1cccc(C[NH2+]Cc2ccon2)c1O ZINC000162869459 633041404 /nfs/dbraw/zinc/04/14/04/633041404.db2.gz GSNBEPHCQRFDPI-UHFFFAOYSA-N 1 1 218.256 1.978 20 10 BDCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC[C@H]1O ZINC000305745878 636329942 /nfs/dbraw/zinc/32/99/42/636329942.db2.gz OXXVDSISGAZFLD-TZMCWYRMSA-N 1 1 235.327 1.985 20 10 BDCDMO [NH3+]C1CC(NCc2c(O)cccc2Cl)C1 ZINC000906509559 638182415 /nfs/dbraw/zinc/18/24/15/638182415.db2.gz JJWYSOKWIOPIDV-UHFFFAOYSA-N 1 1 226.707 1.625 20 10 BDCDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000226087009 640728148 /nfs/dbraw/zinc/72/81/48/640728148.db2.gz ZIUBKZYTGDRNGM-LBPRGKRZSA-N 1 1 248.330 1.485 20 10 BDCDMO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(F)cc1O ZINC000062748159 641090713 /nfs/dbraw/zinc/09/07/13/641090713.db2.gz DAUYLUTXJRVQSQ-KOLCDFICSA-N 1 1 238.306 1.886 20 10 BDCDMO COc1ccc(O)c(C[NH2+]Cc2cocn2)c1 ZINC000182239710 642975418 /nfs/dbraw/zinc/97/54/18/642975418.db2.gz BVHCKBNFAHBVJP-UHFFFAOYSA-N 1 1 234.255 1.679 20 10 BDCDMO C[N@H+]1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000735688505 643555479 /nfs/dbraw/zinc/55/54/79/643555479.db2.gz XBIIOIHGBROAEY-MRVPVSSYSA-N 1 1 240.328 1.135 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000093013629 644674617 /nfs/dbraw/zinc/67/46/17/644674617.db2.gz DCADHMAVYBVKCP-UHFFFAOYSA-N 1 1 249.310 1.649 20 10 BDCDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1O ZINC000824637838 645057408 /nfs/dbraw/zinc/05/74/08/645057408.db2.gz ZYVTXMJWVWEXKQ-OLZOCXBDSA-N 1 1 235.327 1.985 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(F)cc1O ZINC000927149291 645571665 /nfs/dbraw/zinc/57/16/65/645571665.db2.gz YBRKJSHWYGBWAS-FXPVBKGRSA-N 1 1 239.290 1.953 20 10 BDCDMO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000386108818 711022537 /nfs/dbraw/zinc/02/25/37/711022537.db2.gz LCDURRBYRSSPMM-WFASDCNBSA-N 1 1 247.386 1.840 20 10 BDCDMO Oc1cc2c(cc1C[NH2+]Cc1cocn1)OCO2 ZINC000397949137 711397821 /nfs/dbraw/zinc/39/78/21/711397821.db2.gz YPGCBRQNGGSCQP-UHFFFAOYSA-N 1 1 248.238 1.399 20 10 BDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C)n2)c1 ZINC000389815939 711090654 /nfs/dbraw/zinc/09/06/54/711090654.db2.gz PDAOLSWCHJHDNY-SNVBAGLBSA-N 1 1 246.314 1.680 20 10 BDCDMO C[C@@H]1NCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000396726135 711368444 /nfs/dbraw/zinc/36/84/44/711368444.db2.gz YSWDGASQCPBEAK-SWLSCSKDSA-N 1 1 247.386 1.983 20 10 BDCDMO Oc1cccc2c1[C@@H]([NH2+]Cc1ncccn1)CC2 ZINC000702323156 712047071 /nfs/dbraw/zinc/04/70/71/712047071.db2.gz HADSMENJEUUAGW-NSHDSACASA-N 1 1 241.294 1.959 20 10 BDCDMO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(F)cc1O ZINC000707597451 712175666 /nfs/dbraw/zinc/17/56/66/712175666.db2.gz YBRKJSHWYGBWAS-KKZNHRDASA-N 1 1 239.290 1.953 20 10 BDCDMO CC(C)(O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708484427 712185332 /nfs/dbraw/zinc/18/53/32/712185332.db2.gz JIGCYQJPLKHEEF-UHFFFAOYSA-N 1 1 245.269 1.921 20 10 BDCDMO OCC1([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708394146 712192587 /nfs/dbraw/zinc/19/25/87/712192587.db2.gz PVMBNFROXZAKIT-UHFFFAOYSA-N 1 1 229.226 1.285 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CCOCC1 ZINC000708440419 712194746 /nfs/dbraw/zinc/19/47/46/712194746.db2.gz ANRKKECCPAYOKS-UHFFFAOYSA-N 1 1 243.253 1.939 20 10 BDCDMO C[C@@H](CC(N)=O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708453185 712195171 /nfs/dbraw/zinc/19/51/71/712195171.db2.gz FKOTWSVREGPVQM-LURJTMIESA-N 1 1 244.241 1.024 20 10 BDCDMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708556373 712213007 /nfs/dbraw/zinc/21/30/07/712213007.db2.gz UQDNPCYLYQDZNF-PWSUYJOCSA-N 1 1 243.253 1.937 20 10 BDCDMO Cc1cccc(C[NH+]2CC(N(C)C)C2)c1O ZINC001231590839 977639793 /nfs/dbraw/zinc/63/97/93/977639793.db2.gz IQYALHUGNMSOMN-UHFFFAOYSA-N 1 1 220.316 1.446 20 10 BDCDMO CC[C@@H]1CNCC[N@H+]1Cc1ccc(N)cc1 ZINC001235775397 979147779 /nfs/dbraw/zinc/14/77/79/979147779.db2.gz WUTQBZFHFJFNAN-CYBMUJFWSA-N 1 1 219.332 1.453 20 10 BDCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCOC1 ZINC001184329063 980029380 /nfs/dbraw/zinc/02/93/80/980029380.db2.gz XITSZEJXOLIAMP-QMMMGPOBSA-N 1 1 229.226 1.549 20 10 BDCDMO C[N@@H+](Cc1ccc(O)c(O)c1)[C@H]1CCOC1 ZINC001203882605 982584096 /nfs/dbraw/zinc/58/40/96/982584096.db2.gz NKHOHTODDYWBBN-JTQLQIEISA-N 1 1 223.272 1.319 20 10 BDCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC001140742511 960544261 /nfs/dbraw/zinc/54/42/61/960544261.db2.gz QKNQLBOHYIYOHT-LDYMZIIASA-N 1 1 237.299 1.361 20 10 BDCDMO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141155941 960891282 /nfs/dbraw/zinc/89/12/82/960891282.db2.gz BDUKSUMRYVBYLB-NSHDSACASA-N 1 1 223.272 1.319 20 10 BDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001141156257 960892022 /nfs/dbraw/zinc/89/20/22/960892022.db2.gz IQZCOYTYWVQBOE-ZYHUDNBSSA-N 1 1 241.262 1.003 20 10 BDCDMO COCC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142502520 961458769 /nfs/dbraw/zinc/45/87/69/961458769.db2.gz QSCVESKUAQUZDS-UHFFFAOYSA-N 1 1 231.242 1.749 20 10 BDCDMO COCC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142502520 961458787 /nfs/dbraw/zinc/45/87/87/961458787.db2.gz QSCVESKUAQUZDS-UHFFFAOYSA-N 1 1 231.242 1.749 20 10 BDCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC001142502269 961459060 /nfs/dbraw/zinc/45/90/60/961459060.db2.gz LYBPPICEUVPXMK-SECBINFHSA-N 1 1 243.253 1.627 20 10 BDCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001142502269 961459068 /nfs/dbraw/zinc/45/90/68/961459068.db2.gz LYBPPICEUVPXMK-SECBINFHSA-N 1 1 243.253 1.627 20 10 BDCDMO COc1ccc(C[N@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC000092764858 961873426 /nfs/dbraw/zinc/87/34/26/961873426.db2.gz FVMCWXKQEQWDSR-SNVBAGLBSA-N 1 1 237.299 1.215 20 10 BDCDMO N[C@@H]1C[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC001206656602 963124315 /nfs/dbraw/zinc/12/43/15/963124315.db2.gz MLWTYIKFOIFCIX-LLVKDONJSA-N 1 1 242.269 1.561 20 10 BDCDMO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000093084834 963259220 /nfs/dbraw/zinc/25/92/20/963259220.db2.gz RKVROZUDJSAZGF-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000093084834 963259229 /nfs/dbraw/zinc/25/92/29/963259229.db2.gz RKVROZUDJSAZGF-UHFFFAOYSA-N 1 1 248.326 1.411 20 10 BDCDMO Cc1cccc(CNc2cc[nH+]c(N)n2)c1O ZINC001160770470 964411269 /nfs/dbraw/zinc/41/12/69/964411269.db2.gz XDSTZQTTZJUQGU-UHFFFAOYSA-N 1 1 230.271 1.685 20 10 BDCDMO C[C@H]1CC[N@@H+](Cc2ccccc2O)CC[C@H]1O ZINC001203550486 966677255 /nfs/dbraw/zinc/67/72/55/966677255.db2.gz VYJGEAUFQZLHCU-WCQYABFASA-N 1 1 235.327 1.985 20 10 BDCDMO COc1cccc(C[N@H+]2CC[C@H](C(C)=O)C2)c1O ZINC001203600237 966702189 /nfs/dbraw/zinc/70/21/89/966702189.db2.gz YNOQMCSTBYLVQY-NSHDSACASA-N 1 1 249.310 1.812 20 10 BDCDMO COc1ccc(C[N@H+](C)CC(C)=O)c(O)c1 ZINC001203620778 966710525 /nfs/dbraw/zinc/71/05/25/966710525.db2.gz IANKORCZLAGSGR-UHFFFAOYSA-N 1 1 223.272 1.422 20 10 BDCDMO COc1ccc(C[N@@H+](C)CC(C)=O)c(O)c1 ZINC001203620778 966710528 /nfs/dbraw/zinc/71/05/28/966710528.db2.gz IANKORCZLAGSGR-UHFFFAOYSA-N 1 1 223.272 1.422 20 10 BDCDMO COc1ccc(C[N@H+]2CC[C@H]2C)c(O)c1 ZINC001203621274 966711599 /nfs/dbraw/zinc/71/15/99/966711599.db2.gz QWPHSNQMCFXIIM-SECBINFHSA-N 1 1 207.273 1.995 20 10 BDCDMO CN1CC2(C1)CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878741 966806735 /nfs/dbraw/zinc/80/67/35/966806735.db2.gz BCIHUKAXUOWLBC-UHFFFAOYSA-N 1 1 248.326 1.235 20 10 BDCDMO CN1CC2(C1)CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878741 966806740 /nfs/dbraw/zinc/80/67/40/966806740.db2.gz BCIHUKAXUOWLBC-UHFFFAOYSA-N 1 1 248.326 1.235 20 10 BDCDMO COC[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875647 966807194 /nfs/dbraw/zinc/80/71/94/966807194.db2.gz SFXIKHIRTJTENX-NSHDSACASA-N 1 1 237.299 1.566 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1O ZINC001203880557 966810635 /nfs/dbraw/zinc/81/06/35/966810635.db2.gz VLUQTLYETIABGL-RISCZKNCSA-N 1 1 249.310 1.709 20 10 BDCDMO Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001204272800 966950656 /nfs/dbraw/zinc/95/06/56/966950656.db2.gz SIEZIZJIQYQALN-TXEJJXNPSA-N 1 1 235.283 1.461 20 10 BDCDMO CC1(C)COCC[N@H+]1Cc1ccc(O)cc1O ZINC001204274715 966950733 /nfs/dbraw/zinc/95/07/33/966950733.db2.gz HIMRCNAOQLVIRJ-UHFFFAOYSA-N 1 1 237.299 1.709 20 10 BDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204276308 966953250 /nfs/dbraw/zinc/95/32/50/966953250.db2.gz JZWCMYGSIYMGMS-ZDUSSCGKSA-N 1 1 237.299 1.302 20 10 BDCDMO Oc1ccc(C[N@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001204279963 966956655 /nfs/dbraw/zinc/95/66/55/966956655.db2.gz GPEULJRTOMGWRI-CQSZACIVSA-N 1 1 249.310 1.853 20 10 BDCDMO Oc1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001204277015 966958396 /nfs/dbraw/zinc/95/83/96/966958396.db2.gz VYTRHIIBDQWISR-CQSZACIVSA-N 1 1 249.310 1.853 20 10 BDCDMO COc1cc(C[N@H+]2CC[C@H](C)C2)cc(O)c1O ZINC001204344077 966972951 /nfs/dbraw/zinc/97/29/51/966972951.db2.gz UYLPWTSEIAUTRR-VIFPVBQESA-N 1 1 237.299 1.948 20 10 BDCDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1ccccc1O ZINC001203556880 966973247 /nfs/dbraw/zinc/97/32/47/966973247.db2.gz WKRMAZKERGKXMF-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccccc1O ZINC001203556880 966973254 /nfs/dbraw/zinc/97/32/54/966973254.db2.gz WKRMAZKERGKXMF-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccccc1O ZINC001203556880 966973261 /nfs/dbraw/zinc/97/32/61/966973261.db2.gz WKRMAZKERGKXMF-JSGCOSHPSA-N 1 1 246.354 1.918 20 10 BDCDMO Cn1cncc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001204386424 966986524 /nfs/dbraw/zinc/98/65/24/966986524.db2.gz BSNXDMUNWWWJMO-UHFFFAOYSA-N 1 1 243.310 1.684 20 10 BDCDMO Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H](N)C2)c(O)c1 ZINC001206065173 968035969 /nfs/dbraw/zinc/03/59/69/968035969.db2.gz PMBDBUIQKFGJQB-DGCLKSJQSA-N 1 1 234.343 1.788 20 10 BDCDMO Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H](N)C2)c(O)c1 ZINC001206065173 968035982 /nfs/dbraw/zinc/03/59/82/968035982.db2.gz PMBDBUIQKFGJQB-DGCLKSJQSA-N 1 1 234.343 1.788 20 10 BDCDMO CN(C)c1ccc(O[C@H]2CC[N@@H+](C)C2)cc1 ZINC001227939107 975801232 /nfs/dbraw/zinc/80/12/32/975801232.db2.gz LMYUMPNQACABDD-ZDUSSCGKSA-N 1 1 220.316 1.836 20 10 BDCDMO CN(Cc1ccc(N)cc1)C1CC([NH3+])C1 ZINC001334754198 976623906 /nfs/dbraw/zinc/62/39/06/976623906.db2.gz LTEYCHQMTGMDNF-UHFFFAOYSA-N 1 1 205.305 1.190 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN3CC[C@H]3C2)c1O ZINC001231594787 977640796 /nfs/dbraw/zinc/64/07/96/977640796.db2.gz KICLWUMAINWDFY-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO Cc1cccc(CN2CC[N@@H+]3CC[C@H]3C2)c1O ZINC001231594787 977640805 /nfs/dbraw/zinc/64/08/05/977640805.db2.gz KICLWUMAINWDFY-ZDUSSCGKSA-N 1 1 232.327 1.591 20 10 BDCDMO 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CC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000272355108 385898247 /nfs/dbraw/zinc/89/82/47/385898247.db2.gz DQWGERXUKJTDKS-TVQRCGJNSA-N 1 1 239.290 1.734 20 10 BDCDMO C[C@H](O)C[N@H+](C)Cc1cccc(F)c1O ZINC000291032120 386501580 /nfs/dbraw/zinc/50/15/80/386501580.db2.gz FHCDIKSGRQHBJV-QMMMGPOBSA-N 1 1 213.252 1.344 20 10 BDCDMO C[C@H](O)C[N@@H+](C)Cc1cccc(F)c1O ZINC000291032120 386501584 /nfs/dbraw/zinc/50/15/84/386501584.db2.gz FHCDIKSGRQHBJV-QMMMGPOBSA-N 1 1 213.252 1.344 20 10 BDCDMO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000226565265 134366294 /nfs/dbraw/zinc/36/62/94/134366294.db2.gz YWFRESFUHCZROT-TXEJJXNPSA-N 1 1 237.274 1.895 20 10 BDCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000226565265 134366295 /nfs/dbraw/zinc/36/62/95/134366295.db2.gz YWFRESFUHCZROT-TXEJJXNPSA-N 1 1 237.274 1.895 20 10 BDCDMO C[NH2+]C[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000071142081 173382179 /nfs/dbraw/zinc/38/21/79/173382179.db2.gz FDAVQGSQLYYLQZ-CQSZACIVSA-N 1 1 247.386 1.794 20 10 BDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C2)c1 ZINC000234891114 175157023 /nfs/dbraw/zinc/15/70/23/175157023.db2.gz RQGDNTRCNHMSOP-LBPRGKRZSA-N 1 1 237.299 1.622 20 10 BDCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000130695426 175157231 /nfs/dbraw/zinc/15/72/31/175157231.db2.gz NTARVJUBXJIWQJ-SECBINFHSA-N 1 1 225.288 1.213 20 10 BDCDMO COc1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783739759 582961803 /nfs/dbraw/zinc/96/18/03/582961803.db2.gz HTIFDQVGURGVGC-SMDDNHRTSA-N 1 1 249.310 1.215 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000840955389 583183317 /nfs/dbraw/zinc/18/33/17/583183317.db2.gz UMIOPGPGQMNWBF-LBPRGKRZSA-N 1 1 239.290 1.871 20 10 BDCDMO Cc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC000877568096 583335592 /nfs/dbraw/zinc/33/55/92/583335592.db2.gz XKFKPGYBFXNBCC-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c1 ZINC000877568096 583335596 /nfs/dbraw/zinc/33/55/96/583335596.db2.gz XKFKPGYBFXNBCC-SNVBAGLBSA-N 1 1 234.299 1.021 20 10 BDCDMO Cc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c1O ZINC000814173155 583342800 /nfs/dbraw/zinc/34/28/00/583342800.db2.gz HDIXITNLYCAHNU-GXTWGEPZSA-N 1 1 246.354 1.837 20 10 BDCDMO OC[C@H]1CSCC[N@H+]1Cc1ccccc1O ZINC000877780339 583347539 /nfs/dbraw/zinc/34/75/39/583347539.db2.gz NCOULJUJZNYDAR-NSHDSACASA-N 1 1 239.340 1.302 20 10 BDCDMO CC[N@H+](Cc1cc(F)cc(F)c1O)[C@H](C)CO ZINC000894831519 583528355 /nfs/dbraw/zinc/52/83/55/583528355.db2.gz OIXAYVOUMDRMTH-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO CC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H](C)CO ZINC000894831519 583528356 /nfs/dbraw/zinc/52/83/56/583528356.db2.gz OIXAYVOUMDRMTH-MRVPVSSYSA-N 1 1 245.269 1.873 20 10 BDCDMO C[C@@H]1OCC[C@@H]1[NH2+]Cc1c(O)cccc1F ZINC000896638504 583819543 /nfs/dbraw/zinc/81/95/43/583819543.db2.gz VLCSYLSFEQWZPQ-KWQFWETISA-N 1 1 225.263 1.798 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)NC2)c1 ZINC000863484853 583992111 /nfs/dbraw/zinc/99/21/11/583992111.db2.gz NYUXJVCBLDKPRW-AAEUAGOBSA-N 1 1 234.343 1.931 20 10 BDCDMO COc1ccc(O)c(CNC[C@H]([NH3+])C(C)C)c1 ZINC000841031794 584031145 /nfs/dbraw/zinc/03/11/45/584031145.db2.gz YAFDVUQVXRSIJU-LBPRGKRZSA-N 1 1 238.331 1.474 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897680119 584038601 /nfs/dbraw/zinc/03/86/01/584038601.db2.gz PIGUGQQMCIHYCD-WFASDCNBSA-N 1 1 248.370 1.874 20 10 BDCDMO O=C1NCCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC000897752485 584043947 /nfs/dbraw/zinc/04/39/47/584043947.db2.gz CZEZLSJJTVWSGT-UHFFFAOYSA-N 1 1 248.282 1.077 20 10 BDCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898188126 584093813 /nfs/dbraw/zinc/09/38/13/584093813.db2.gz KGDUNVCQJLOXQC-WCQYABFASA-N 1 1 239.290 1.605 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000841059554 584126100 /nfs/dbraw/zinc/12/61/00/584126100.db2.gz UJYDYXAGSDGXKZ-YPMHNXCESA-N 1 1 234.343 1.788 20 10 BDCDMO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1O ZINC000898558199 584141872 /nfs/dbraw/zinc/14/18/72/584141872.db2.gz NZXQXZPQOWFOLK-LBPRGKRZSA-N 1 1 248.326 1.493 20 10 BDCDMO NC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000902406532 584573838 /nfs/dbraw/zinc/57/38/38/584573838.db2.gz NKMBQZOPWHPIGC-SNVBAGLBSA-N 1 1 218.300 1.460 20 10 BDCDMO CC[C@H]([NH2+]CC1(N)CC1)c1ccccc1O ZINC000902408626 584575378 /nfs/dbraw/zinc/57/53/78/584575378.db2.gz ZRSDXVQBWMIQRV-NSHDSACASA-N 1 1 220.316 1.924 20 10 BDCDMO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903964600 584834061 /nfs/dbraw/zinc/83/40/61/584834061.db2.gz MMBWTTHORVBNTG-OCCSQVGLSA-N 1 1 248.370 1.949 20 10 BDCDMO COc1cccc(C[NH2+]C(CF)CF)c1O ZINC000824554095 585028874 /nfs/dbraw/zinc/02/88/74/585028874.db2.gz AGHQVWIJIUPKGM-UHFFFAOYSA-N 1 1 231.242 1.798 20 10 BDCDMO COCCOC1C[NH+](Cc2ccccc2O)C1 ZINC000838988049 585084559 /nfs/dbraw/zinc/08/45/59/585084559.db2.gz RLTAFXLNFFZPEN-UHFFFAOYSA-N 1 1 237.299 1.239 20 10 BDCDMO COC(=O)/C(C)=C\C[N@@H+](C)Cc1ccccc1O ZINC000748815557 585196675 /nfs/dbraw/zinc/19/66/75/585196675.db2.gz BDOCVLHGXSKWEU-FLIBITNWSA-N 1 1 249.310 1.943 20 10 BDCDMO Cc1cccc(C[N@H+]2CCCNC(=O)C2)c1O ZINC000775663688 585682627 /nfs/dbraw/zinc/68/26/27/585682627.db2.gz NFOLRIJFTHJTMF-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2O)CCN1C ZINC000775985862 585688917 /nfs/dbraw/zinc/68/89/17/585688917.db2.gz PGZKXTOGCMQLMF-NEPJUHHUSA-N 1 1 234.343 1.917 20 10 BDCDMO Oc1ccc(F)cc1CN1CCc2cn[nH]c2C1 ZINC000779021461 585744252 /nfs/dbraw/zinc/74/42/52/585744252.db2.gz YXTSMBCBHSESMT-UHFFFAOYSA-N 1 1 247.273 1.813 20 10 BDCDMO COc1ccc(O)c(C[NH2+]Cc2nonc2C)c1 ZINC000809745059 586516818 /nfs/dbraw/zinc/51/68/18/586516818.db2.gz LJPPAFOOGWAHDE-UHFFFAOYSA-N 1 1 249.270 1.382 20 10 BDCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@@H](O)C1CC1 ZINC000809753148 586518071 /nfs/dbraw/zinc/51/80/71/586518071.db2.gz ZUNXYDPLBQJDSY-CYBMUJFWSA-N 1 1 239.290 1.734 20 10 BDCDMO Cc1cc(N(C)C)ccc1CN[C@H](C)C1C[NH2+]C1 ZINC000817895026 586834702 /nfs/dbraw/zinc/83/47/02/586834702.db2.gz SVXNKSFUAVEUSG-GFCCVEGCSA-N 1 1 247.386 1.759 20 10 BDCDMO COc1ccc(O)c([C@@H](C)NCC(C)(C)[NH3+])c1 ZINC000817960567 586851361 /nfs/dbraw/zinc/85/13/61/586851361.db2.gz OKAGZENZMJUEBO-SECBINFHSA-N 1 1 238.331 1.789 20 10 BDCDMO CC(C)[C@H](N)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817959134 586851481 /nfs/dbraw/zinc/85/14/81/586851481.db2.gz PODWISYSHDBUES-NEPJUHHUSA-N 1 1 234.343 1.952 20 10 BDCDMO [NH3+]CC(F)(F)CN[C@@H]1CCc2cccc(O)c21 ZINC000817967171 586856249 /nfs/dbraw/zinc/85/62/49/586856249.db2.gz DNAQPNKAMFZDLB-SECBINFHSA-N 1 1 242.269 1.563 20 10 BDCDMO C[C@@H]([NH2+][C@@H](C)CN)c1ccc(N(C)C)cc1 ZINC000817970476 586858126 /nfs/dbraw/zinc/85/81/26/586858126.db2.gz WXTMJRLROFBMPS-WDEREUQCSA-N 1 1 221.348 1.750 20 10 BDCDMO C[C@@H](N)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817972183 586859764 /nfs/dbraw/zinc/85/97/64/586859764.db2.gz UWPPINVTCIYUCL-GHMZBOCLSA-N 1 1 221.348 1.750 20 10 BDCDMO CC[C@H]([NH2+]C[C@@H](C)N)c1ccccc1O ZINC000817974003 586860525 /nfs/dbraw/zinc/86/05/25/586860525.db2.gz XIPRRAVLJKVWCY-KOLCDFICSA-N 1 1 208.305 1.780 20 10 BDCDMO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](C)N ZINC000817978603 586861997 /nfs/dbraw/zinc/86/19/97/586861997.db2.gz CEHFCWGPQGTLNP-IQJOONFLSA-N 1 1 220.316 1.705 20 10 BDCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCNC1 ZINC000841043870 587939059 /nfs/dbraw/zinc/93/90/59/587939059.db2.gz YBUWOJJOZLFIIP-AWEZNQCLSA-N 1 1 247.386 1.903 20 10 BDCDMO COc1cccc(C[NH2+][C@H]2CCCNC2)c1O ZINC000841043663 587939393 /nfs/dbraw/zinc/93/93/93/587939393.db2.gz UWQLBEXCZCHNDR-NSHDSACASA-N 1 1 236.315 1.242 20 10 BDCDMO c1cc(CN[C@@H]2CCC[NH2+]CC2)cc2c1OCC2 ZINC000841057766 587940726 /nfs/dbraw/zinc/94/07/26/587940726.db2.gz NHCPCPPTTLVKSU-CQSZACIVSA-N 1 1 246.354 1.853 20 10 BDCDMO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841063620 587941484 /nfs/dbraw/zinc/94/14/84/587941484.db2.gz MBHSFNWRVSSZFW-RISCZKNCSA-N 1 1 246.354 1.709 20 10 BDCDMO CCOc1ccc(CNC[C@H]([NH3+])CC)c(O)c1 ZINC000841070583 587943213 /nfs/dbraw/zinc/94/32/13/587943213.db2.gz REIMDTZNUAEDFC-LLVKDONJSA-N 1 1 238.331 1.618 20 10 BDCDMO COc1cccc(CN[C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841080707 587945101 /nfs/dbraw/zinc/94/51/01/587945101.db2.gz QAPHWWKOFKXCRY-BDAKNGLRSA-N 1 1 224.304 1.226 20 10 BDCDMO Cc1ccc(O)c(C[NH2+][C@@H]2CCCCNC2)c1 ZINC000841091403 587946658 /nfs/dbraw/zinc/94/66/58/587946658.db2.gz XCHSDJQCGVSVBZ-CYBMUJFWSA-N 1 1 234.343 1.932 20 10 BDCDMO Cc1cccc(C[N@H+]2CCN[C@H](C)[C@@H]2C)c1O ZINC000843058276 588078224 /nfs/dbraw/zinc/07/82/24/588078224.db2.gz QSMRZGWLHWAIGT-NEPJUHHUSA-N 1 1 234.343 1.883 20 10 BDCDMO Cc1cccc(C[N@@H+]2CCN[C@H](C)[C@@H]2C)c1O ZINC000843058276 588078227 /nfs/dbraw/zinc/07/82/27/588078227.db2.gz QSMRZGWLHWAIGT-NEPJUHHUSA-N 1 1 234.343 1.883 20 10 BDCDMO C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000846701859 588283807 /nfs/dbraw/zinc/28/38/07/588283807.db2.gz DUANCMORAXKYFR-KOLCDFICSA-N 1 1 238.306 1.843 20 10 BDCDMO CCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000848886530 588416889 /nfs/dbraw/zinc/41/68/89/588416889.db2.gz WWZUXEDEEYYCMK-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1O ZINC000848886530 588416890 /nfs/dbraw/zinc/41/68/90/588416890.db2.gz WWZUXEDEEYYCMK-JTQLQIEISA-N 1 1 248.326 1.275 20 10 BDCDMO CCc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000848912256 588419685 /nfs/dbraw/zinc/41/96/85/588419685.db2.gz CTWDIWACXGIERZ-WDNDVIMCSA-N 1 1 247.338 1.625 20 10 BDCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000851841493 588634441 /nfs/dbraw/zinc/63/44/41/588634441.db2.gz UBISZYARWFDVJO-GFCCVEGCSA-N 1 1 248.326 1.445 20 10 BDCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3C[C@@H]3C1)OCO2 ZINC000862440000 589212984 /nfs/dbraw/zinc/21/29/84/589212984.db2.gz DCRHELDULOQMAF-DTORHVGOSA-N 1 1 233.267 1.573 20 10 BDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876594914 590219611 /nfs/dbraw/zinc/21/96/11/590219611.db2.gz TXJZDMDYSAJRAT-LBPRGKRZSA-N 1 1 249.310 1.696 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+](C)CCOCCO ZINC000877502641 590342486 /nfs/dbraw/zinc/34/24/86/590342486.db2.gz OTPJQQYSTCZDJJ-UHFFFAOYSA-N 1 1 239.315 1.141 20 10 BDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1O ZINC000877550147 590354730 /nfs/dbraw/zinc/35/47/30/590354730.db2.gz MQZGNNDDODYNTD-LBPRGKRZSA-N 1 1 221.300 1.921 20 10 BDCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000877568197 590361527 /nfs/dbraw/zinc/36/15/27/590361527.db2.gz ZTUZVOAUILEVCQ-OCCSQVGLSA-N 1 1 246.354 1.837 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)[C@H](C)CCO ZINC000877614610 590373836 /nfs/dbraw/zinc/37/38/36/590373836.db2.gz FRRYHKXSPRQMCP-LLVKDONJSA-N 1 1 223.316 1.903 20 10 BDCDMO C[C@H]([NH2+]CC1(CO)CC1)c1c(O)cccc1F ZINC000886534231 592249762 /nfs/dbraw/zinc/24/97/62/592249762.db2.gz DKNGXRAOYWRCJF-VIFPVBQESA-N 1 1 239.290 1.954 20 10 BDCDMO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000138446178 592275751 /nfs/dbraw/zinc/27/57/51/592275751.db2.gz QYCOIDDSGOZUPC-VXGBXAGGSA-N 1 1 220.316 1.752 20 10 BDCDMO CON(C)CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886634864 592284467 /nfs/dbraw/zinc/28/44/67/592284467.db2.gz OQSBGDXBRWNSKW-VIFPVBQESA-N 1 1 242.294 1.675 20 10 BDCDMO Oc1ccccc1C[NH2+][C@H]1CCCNC1 ZINC000162938197 635203372 /nfs/dbraw/zinc/20/33/72/635203372.db2.gz BEESRBDQLYDCGZ-NSHDSACASA-N 1 1 206.289 1.234 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000793620590 636060813 /nfs/dbraw/zinc/06/08/13/636060813.db2.gz WZYJIWTYZQWTJF-QWHCGFSZSA-N 1 1 233.311 1.982 20 10 BDCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000793620590 636060816 /nfs/dbraw/zinc/06/08/16/636060816.db2.gz WZYJIWTYZQWTJF-QWHCGFSZSA-N 1 1 233.311 1.982 20 10 BDCDMO OCCC1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000157531363 640690815 /nfs/dbraw/zinc/69/08/15/640690815.db2.gz UVWGRCUBHWCNIV-UHFFFAOYSA-N 1 1 239.290 1.784 20 10 BDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000253232224 642633395 /nfs/dbraw/zinc/63/33/95/642633395.db2.gz BBXURCOIUWHRRZ-IUODEOHRSA-N 1 1 248.370 1.955 20 10 BDCDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccccc1O ZINC000179558839 642726436 /nfs/dbraw/zinc/72/64/36/642726436.db2.gz ZVZBHXFMJJFVTC-JQWIXIFHSA-N 1 1 248.326 1.478 20 10 BDCDMO COc1ccc(O)c(C[NH2+]Cc2cc(C)on2)c1 ZINC000044692606 643547335 /nfs/dbraw/zinc/54/73/35/643547335.db2.gz WJDHJAPPYNGCRZ-UHFFFAOYSA-N 1 1 248.282 1.987 20 10 BDCDMO c1cc(CNC2CC[NH2+]CC2)cc2c1OCC2 ZINC000084516337 644426535 /nfs/dbraw/zinc/42/65/35/644426535.db2.gz HHWMNLGQEDHRCH-UHFFFAOYSA-N 1 1 232.327 1.463 20 10 BDCDMO c1cc2c(cc1CNC1CC[NH2+]CC1)CCCO2 ZINC000084565845 644428769 /nfs/dbraw/zinc/42/87/69/644428769.db2.gz OGYXATLYXLCSLT-UHFFFAOYSA-N 1 1 246.354 1.853 20 10 BDCDMO Cc1ccc(O)c(C[N@H+]2CCCNC(=O)C2)c1 ZINC000769113964 644678540 /nfs/dbraw/zinc/67/85/40/644678540.db2.gz FXSCNFSVDGKKKR-UHFFFAOYSA-N 1 1 234.299 1.023 20 10 BDCDMO Cc1ccc(O)c(C[N@H+](C)CC2CN(C)C2)c1 ZINC000827126213 645074483 /nfs/dbraw/zinc/07/44/83/645074483.db2.gz XTXNAPAGMDAQEJ-UHFFFAOYSA-N 1 1 234.343 1.694 20 10 BDCDMO Cc1cccc(O)c1C[N@H+](C)CC1CN(C)C1 ZINC000877626955 645801928 /nfs/dbraw/zinc/80/19/28/645801928.db2.gz DJLORSCBHYSJDC-UHFFFAOYSA-N 1 1 234.343 1.694 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000708438151 712195187 /nfs/dbraw/zinc/19/51/87/712195187.db2.gz VIFAMMOPPXTNMH-WKFQBHICSA-N 1 1 243.253 1.531 20 10 BDCDMO CCc1cccc(C[N@@H+](CC)CC(N)=O)c1O ZINC000709322425 712219830 /nfs/dbraw/zinc/21/98/30/712219830.db2.gz YMUZBYRZOAILHZ-UHFFFAOYSA-N 1 1 236.315 1.262 20 10 BDCDMO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)CN1 ZINC000398953718 711417891 /nfs/dbraw/zinc/41/78/91/711417891.db2.gz GAIJVANITSRWKI-JQWIXIFHSA-N 1 1 220.316 1.622 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCOC1 ZINC000708393830 712191600 /nfs/dbraw/zinc/19/16/00/712191600.db2.gz JTCQNNMTIWZBTK-VIFPVBQESA-N 1 1 229.226 1.549 20 10 BDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000708446124 712194757 /nfs/dbraw/zinc/19/47/57/712194757.db2.gz ZMWUBLSIHCFXPV-JTQLQIEISA-N 1 1 243.253 1.939 20 10 BDCDMO C[C@H](O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708436121 712195064 /nfs/dbraw/zinc/19/50/64/712195064.db2.gz JJARMELXNYRQPQ-ZETCQYMHSA-N 1 1 231.242 1.531 20 10 BDCDMO OC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142521031 961473054 /nfs/dbraw/zinc/47/30/54/961473054.db2.gz UZLZEMGFUAZPOE-QMMMGPOBSA-N 1 1 243.253 1.485 20 10 BDCDMO OC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142521031 961473067 /nfs/dbraw/zinc/47/30/67/961473067.db2.gz UZLZEMGFUAZPOE-QMMMGPOBSA-N 1 1 243.253 1.485 20 10 BDCDMO